{"text_format":"3","workbook":"xlsx","n_sheets":15,"sheets":["Maintained","Rejected","Manual check","FullOutput","PubChem&ChemID","Summary","Neutalized_and_Counter...","Counterions_CompTox_CAS","Counterions_CompTox_Name","Counterions_CIR_Name","Counterions_CIR_CAS","Maintain_Manual_Check","Reject_Manual_Check","Full_Output_Manual_Check","Summary_ManualCheck"],"read":"whole","date_system":"1900"}

{"sheet":"Maintained","index":0,"n_rows":4387,"n_cols":11,"rows_kept":4387}
["New ID","Original SMILES","Canonical SMILES (OpenBabel)","SMILES (VEGA)","Remarks (VEGA)","Duplicates","Names","CAS_NOs","Original IDs","Notes","Warnings"]
[1,"ClC1=C(Cl)C(Cl)(C(Cl)=C1Cl)C2(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl\n\n\n","ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl","C=1(C(=C(C(C=1Cl)(C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"DIENOCHLOR(1)","2227-17-0(1)","3138","High Reliability"]
[2,"ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C5(Cl)C2(Cl)C3(Cl)C4(Cl)C5(Cl)Cl\n\n\n","O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl","O=C1C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"KEPONE(1)","143-50-0(1)","1596","High Reliability"]
[3,"ClC12C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl\n\n\n","ClC12C(Cl)(Cl)C3(C4(C1(Cl)C1(C2(Cl)C3(C4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl","C13(C4(C2(C5(C(C1(C2(Cl)Cl)Cl)(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"MIREX(1)","2385-85-5(1)","3188","High Reliability"]
[4,"Clc1c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c(Cl)c1Cl\n\n\n","Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl","c12(c(c(c(c(c1Cl)Cl)Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl)","",1,"OCTACHLORONAPHTHALENE(1)","2234-13-1(1)","3140","High Reliability"]
[5,"COC(=O)C(Cl)Cc1ccc(Cl)cc1\n\n\n","COC(=O)C(Cc1ccc(cc1)Cl)Cl","O=C(OC)C(Cc1ccc(cc1)Cl)Cl","",1,"CHLORFENPROP METHYL(1)","14437-17-3(1)","4034","Medium Reliability"]
[6,"CCOC(=O)COc1c(Cl)cc(Cl)cc1\n\n\n","CCOC(=O)COc1ccc(cc1Cl)Cl","O=C(OCC)COc1ccc(cc1Cl)Cl","",1,"2,4-D, ETHYL ESTER(1)","533-23-3(1)","2024","Medium Reliability"]
[7,"OC(=O)CCCOc1ccc(Cl)cc1Cl\n\n\n","OC(=O)CCCOc1ccc(cc1Cl)Cl","O=C(O)CCCOc1ccc(cc1Cl)Cl","",1,"2,4-DB(1)","94-82-6(1)","734","High Reliability"]
[8,"Nc1cccc2c1c(N)ccc2\nNc1cccc2cccc(N)c12\n\n","Nc1cccc2c1c(N)ccc2","Nc1cccc2cccc(N)c12","",1,"1,8-NAPHTHALENEDIAMINE(1)","479-27-6(1)","1843","High Reliability"]
[9,"Nc1cccc2c(N)cccc12\n\n\n","Nc1cccc2c1cccc2N","Nc1cccc2c(N)cccc12","",1,"1,5-DIAMINONAPHTHALENE(1)","2243-62-1(1)","3144","High Reliability"]
[10,"Cc1nnc(c(=O)n1N)-c2ccccc2\n\n\n","Cc1nnc(c(=O)n1N)c1ccccc1","O=C1C(=NN=C(N1(N))C)c2ccccc2","",1,"Metamitron(1)","41394-05-2(1)","4743","High Reliability"]
[11,"Nc1ccc(cc1)S(=O)(=O)Nc2nccnc2\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1cnccn1","O=S(=O)(Nc1nccnc1)c2ccc(N)cc2","",1,"Sulfapyrazine(1)","116-44-9(1)","1301","High Reliability"]
[12,"Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1","O=S(=O)(Nc1ncccn1)c2ccc(N)cc2","",1,"SULFADIAZINE(1)","68-35-9(1)","262","High Reliability"]
[13,"CC1(C)OC(=O)c2ccccc12\n\n\n","O=C1OC(c2c1cccc2)(C)C","O=C1OC(c2ccccc12)(C)C","",1,"1(3H)ISOBENZOFURANONE-3,3-DIMETHYL(1)","1689-09-4(1)","2959","Medium Reliability"]
[14,"CCC1OC(=O)c2ccccc12\n\n\n","CCC1OC(=O)c2c1cccc2","O=C1OC(c2ccccc12)CC","",1,"1(3H)-Isobenzofuranone, 3-ethyl-(1)","17475-41-1(1)","4157","Medium Reliability"]
[15,"CC(=O)CC(=O)c1ccccc1\n\n\n","O=C(c1ccccc1)CC(=O)C","O=C(c1ccccc1)CC(=O)C","",1,"1,3-Butanedione, 1-phenyl-(1)","93-91-4(1)","714","High Reliability"]
[16,"COc1ccc(C=CC(O)=O)cc1\n\n\n","COc1ccc(cc1)C=CC(=O)O","O=C(O)C=Cc1ccc(OC)cc1","",1,"CINNAMIC ACID, P-METHOXY-(1)","830-09-1(1)","2707","High Reliability","Stereochemistry removed"]
[17,"COc1c(OC)c2c(COC2=O)cc1\n\n\n","COc1c(OC)ccc2c1C(=O)OC2","O=C1OCc2ccc(OC)c(OC)c12","",1,"Meconin(1)","569-31-3(1)","2200","High Reliability"]
[18,"COC(=O)c1ccc(cc1)C(=O)OC\n\n\n","COC(=O)c1ccc(cc1)C(=O)OC","O=C(OC)c1ccc(cc1)C(=O)OC","",1,"DIMETHYLTEREPHTHALATE(1)","120-61-6(1)","1359","High Reliability"]
[19,"COC(=O)c1cc(ccc1)C(=O)OC\n\n\n","COC(=O)c1cccc(c1)C(=O)OC","O=C(OC)c1cccc(c1)C(=O)OC","",1,"DIMETHYL ISOPHTHALATE(1)","1459-93-4(1)","2907","High Reliability"]
[20,"COC(=O)c1c(cccc1)C(=O)OC\nCOC(=O)c1ccccc1C(=O)OC\n\n","COC(=O)c1ccccc1C(=O)OC","O=C(OC)c1ccccc1(C(=O)OC)","",1,"DIMETHYL PHTHALATE(1)","131-11-3(1)","1496","High Reliability"]
[21,"COc1ccc(C=O)c(C(O)=O)c1OC\n\n\n","COc1ccc(c(c1OC)C(=O)O)C=O","O=Cc1ccc(OC)c(OC)c1(C(=O)O)","",1,"6-Formyl-2,3-dimethoxybenzoic acid(1)","519-05-1(1)","1979","High Reliability","Checked on PubChem, Checked on ChemID"]
[22,"Cc1cc(C)c(OCC(O)=O)c(Br)c1\n\n\n","OC(=O)COc1c(C)cc(cc1Br)C","O=C(O)COc1c(cc(cc1Br)C)C","",1,"Acetic acid, (2-bromo-4,6-dimethylphenoxy)-(1)","38206-98-3(1)","4663","Medium Reliability","Checked on PubChem"]
[23,"CC(O)COCc1c(Cl)c(Cl)ccc1Cl\n\n\n","CC(COCc1c(Cl)ccc(c1Cl)Cl)O","OC(C)COCc1c(ccc(c1Cl)Cl)Cl","",1,"TRITAC(1)","1861-44-5(1)","3004","High Reliability"]
[24,"CN(Cc1cnc(Cl)cc1)C(C)=NC#N\n\n\n","N#CN=C(N(Cc1ccc(nc1)Cl)C)C","N#CN=C(N(C)Cc1cnc(cc1)Cl)C","",1,"ACETAMIPRID(1)","135410-20-7(1)","5684","High Reliability","Stereochemistry removed"]
[25,"CCOC(=O)COc1ccc(Cl)cc1\n\n\n","CCOC(=O)COc1ccc(cc1)Cl","O=C(OCC)COc1ccc(cc1)Cl","",1,"ETHYL 4-CHLOROPHENOXYACETATE(1)","14426-42-7(1)","4033","Medium Reliability"]
[26,"CC(Oc1c(C)cc(Cl)cc1)C(O)=O\nCC(Oc1ccc(Cl)cc1C)C(O)=O\n\n","OC(=O)C(Oc1ccc(cc1C)Cl)C","O=C(O)C(Oc1ccc(cc1C)Cl)C","",3,"MECOPROP(1), MCPP(1), Mecoprop-P(1)","93-65-2(1), 7085-19-0(1), 16484-77-8(1)","707, 3814, 4103","High Reliability","Stereochemistry removed"]
[27,"CN(C)C(=O)Nc1cccc(c1)C(F)(F)F\n\n\n","O=C(N(C)C)Nc1cccc(c1)C(F)(F)F","O=C(Nc1cccc(c1)C(F)(F)F)N(C)C","",1,"FLUOMETURON(1)","2164-17-2(1)","3116","High Reliability"]
[28,"CCCOC(=O)Cn1cc(I)c(=O)c(I)c1\n\n\n","CCCOC(=O)Cn1cc(I)c(=O)c(c1)I","O=C1C(=CN(C=C1I)CC(=O)OCCC)I","",1,"Propyliodone(1)","587-61-1(1)","2264","High Reliability"]
[29,"Cc1nn(c(N)c1)-c2ccccc2\n\n\n","Cc1nn(c(c1)N)c1ccccc1","n1c(cc(N)n1c2ccccc2)C","",1,"1H-Pyrazol-5-amine, 3-methyl-1-phenyl-(1)","1131-18-6(1)","2849","High Reliability"]
[30,"COc1cc2nccnc2c(N)c1OC\n\n\n","COc1cc2nccnc2c(c1OC)N","n1ccnc2c1cc(OC)c(OC)c2(N)","",1,"5-Quinoxalinamine, 6,7-dimethoxy-(1)","6295-30-3(1)","3733","High Reliability"]
[31,"NC(Cc1[nH]nc2ccccc12)C(O)=O\n\n\n","OC(=O)C(Cc1[nH]nc2c1cccc2)N","O=C(O)C(N)Cc2[nH]nc1ccccc12","",1,"TRYPTAZAN(1)","526-30-7(1)","1990","High Reliability","Checked on PubChem, Checked on ChemID"]
[32,"Cc1nsc(NS(=O)(=O)c2ccc(N)cc2)c1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1snc(c1)C","O=S(=O)(Nc1cc(ns1)C)c2ccc(N)cc2","",1,"SULFASOMIZOLE(1)","632-00-8(1)","2578","High Reliability"]
[33,"Cc1csc(NS(=O)(=O)c2ccc(N)cc2)n1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1scc(n1)C","O=S(=O)(Nc1nc(cs1)C)c2ccc(N)cc2","",1,"Sulfamethylthiazole(1)","515-59-3(1)","1970","High Reliability"]
[34,"Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C","O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2","",1,"SULFAMETHOXAZOLE(1)","723-46-6(1)","2657","High Reliability"]
[35,"CNC(=O)N(C)c1nc2c(s1)cccc2\nCNC(=O)N(C)c1sc2ccccc2n1\n\n","CNC(=O)N(c1nc2c(s1)cccc2)C","O=C(NC)N(c2nc1ccccc1s2)C","",1,"Methabenzthiazuron(1)","18691-97-9(1)","4204","Medium Reliability"]
[36,"Nc1nc(NCc2ccccc2)ncn1\n\n\n","Nc1ncnc(n1)NCc1ccccc1","n1cnc(nc1N)NCc2ccccc2","",1,"1,3,5-Triazine-2,4-diamine, N-(phenylmethyl)-(1)","4086-63-9(1)","3458","High Reliability"]
[37,"CC1=NNC(=O)N(C1)N=Cc2cccnc2\n\n\n","CC1=NNC(=O)N(C1)N=Cc1cccnc1","O=C2NN=C(C)CN2(N=Cc1cnccc1)","",1,"Pymetrozine(1)","123312-89-0(1)","5649","High Reliability","Stereochemistry removed"]
[38,"CC=CC(=O)Nc1ccc(O)cc1\n\n\n","CC=CC(=O)Nc1ccc(cc1)O","O=C(C=CC)Nc1ccc(O)cc1","",1,"2-Butenamide, N-(4-hydroxyphenyl)-(1)","125349-99-7(1)","5657","Medium Reliability"]
[39,"NC(=O)c1ccccc1OCC=C\n\n\n","C=CCOc1ccccc1C(=O)N","O=C(N)c1ccccc1(OCC=C)","",1,"Benzamide, 2-(2-propenyloxy)-(1)","14520-53-7(1)","4039","Medium Reliability"]
[40,"CC(=O)Nc1ccc(cc1)C(C)=O\n\n\n","CC(=O)Nc1ccc(cc1)C(=O)C","O=C(Nc1ccc(cc1)C(=O)C)C","",1,"ACETAMIDE, N-(4-ACETYLPHENYL)-(1)","2719-21-3(1)","3277","High Reliability"]
[41,"CC(=O)Nc1cccc(c1)C(C)=O\n\n\n","CC(=O)Nc1cccc(c1)C(=O)C","O=C(Nc1cccc(c1)C(=O)C)C","",1,"M-ACETYLAMINOACETOPHENONE(1)","7463-31-2(1)","3844","Medium Reliability"]
[42,"CC1(C)Cc2cccc(c2O1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cccc2c1OC(C2)(C)C","O=[N+]([O-])c2cccc1c2(OC(C)(C)C1)","",1,"7-NITRO-2,2-DIMETHYL-2,3-DIHYDROBENZOFURAN(1)","13414-55-6(1)","3973","High Reliability"]
[43,"CNC(=O)COC(=O)c1ccccc1\n\n\n","CNC(=O)COC(=O)c1ccccc1","O=C(OCC(=O)NC)c1ccccc1","",1,"ACETAMIDE, 2-(BENZOYLOXY)-N-METHYL-(1)","106231-50-9(1)","5502","Medium Reliability"]
[44,"CC(NC(=O)c1ccccc1)C(O)=O\n\n\n","CC(C(=O)O)NC(=O)c1ccccc1","O=C(O)C(NC(=O)c1ccccc1)C","",1,"DL-Alanine, N-benzoyl-(1)","1205-02-3(1)","2873","High Reliability","Checked on PubChem, Checked on ChemID"]
[45,"CC(=O)Nc1ccc(OC(C)=O)cc1\n\n\n","CC(=O)Nc1ccc(cc1)OC(=O)C","O=C(Oc1ccc(cc1)NC(=O)C)C","",1,"P-ACETOXYACETANILIDE(1)","2623-33-8(1)","3257","High Reliability"]
[46,"OC(=O)CNC(=O)Cc1ccccc1\n\n\n","O=C(Cc1ccccc1)NCC(=O)O","O=C(O)CNC(=O)Cc1ccccc1","",1,"Glycine, N-(phenylacetyl)-(1)","500-98-1(1)","1914","Medium Reliability"]
[47,"CCCC(=O)Oc1ccc(cc1)[N+]([O-])=O\n\n\n","CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","O=C(Oc1ccc(cc1)[N+](=O)[O-])CCC","",1,"Butanoic acid, 4-nitrophenyl ester(1)","2635-84-9(1)","3264","High Reliability"]
[48,"CC(C)C(=O)Oc1ccc(cc1)[N+]([O-])=O\n\n\n","CC(C(=O)Oc1ccc(cc1)[N+](=O)[O-])C","O=C(Oc1ccc(cc1)[N+](=O)[O-])C(C)C","",1,"Propanoic acid, 2-methyl-, 4-nitrophenyl ester(1)","4195-16-8(1)","3468","Medium Reliability"]
[49,"C1CCc2c(C1)cccc2\n\n\n","C1CCc2c(C1)cccc2","c1ccc2c(c1)CCCC2","",1,"TETRALIN(1)","119-64-2(1)","1343","High Reliability"]
[50,"CCOP(=S)(OCC)Oc1c(Cl)cc(Br)c(Cl)c1\n\n\n","CCOP(=S)(Oc1cc(Cl)c(cc1Cl)Br)OCC","O(c1cc(c(cc1Cl)Br)Cl)P(OCC)(OCC)=S","",1,"BROMOPHOS ETHYL(1)","4824-78-6(1)","3542","Medium Reliability"]
[51,"CCOP(=S)(CC)Oc1c(Cl)cc(Cl)c(Cl)c1\n\n\n","CCP(=S)(OCC)Oc1cc(Cl)c(cc1Cl)Cl","O(c1cc(c(cc1Cl)Cl)Cl)P(OCC)(CC)=S","",1,"TRICHLORONATE(1)","327-98-0(1)","1735","High Reliability"]
[52,"CNC(=O)ON=C1C(Cl)C2CC(C#N)C1C2\n\n\n","N#CC1CC2CC1C(=NOC(=O)NC)C2Cl","N#CC2CC1CC2(C(=NOC(=O)NC)C1Cl)","",1,"Tranid(1)","15271-41-7(1)","4062","High Reliability","Stereochemistry removed"]
[53,"CCC1NC(=O)c2cc(c(Cl)cc2N1)S(N)(=O)=O\n\n\n","CCC1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl","O=C1NC(Nc2cc(c(cc12)S(=O)(=O)N)Cl)CC","",1,"Quinethazone(1)","73-49-4(1)","304","High Reliability"]
[54,"ClCCC(=O)NCc1ccccc1\n\n\n","ClCCC(=O)NCc1ccccc1","O=C(NCc1ccccc1)CCCl","",1,"N-benzyl-3-chloropropanamide(1)","501-68-8(1)","1916","High Reliability"]
[55,"CC(C)OC(=O)Nc1cccc(Cl)c1\n\n\n","CC(OC(=O)Nc1cccc(c1)Cl)C","O=C(OC(C)C)Nc1cccc(c1)Cl","",1,"CHLORPROPHAM(1)","101-21-3(1)","906","High Reliability"]
[56,"C1NC(CC=C1)c2cccnc2\n\n\n","C1=CCC(NC1)c1cccnc1","n1cccc(c1)C2NCC=CC2","",1,"Anatabine(1)","581-49-7(1)","2232","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[57,"NCCc1c[nH]c2ccc(O)cc12\n\n\n","NCCc1c[nH]c2c1cc(O)cc2","Oc1ccc2[nH]cc(c2(c1))CCN","",1,"5-HYDROXYTRYPTAMINE(1)","50-67-9(1)","29","High Reliability"]
[58,"C=CCC1(CC=C)C(=O)NC(=O)NC1=O\n\n\n","C=CCC1(CC=C)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC=C)CC=C","",1,"ALLOBARBITAL(1)","52-43-7(1)","61","High Reliability"]
[59,"NC(=O)NC(Cc1ccccc1)C(O)=O\nNC(=O)NC(Cc1ccccc1)C([O-])=O\n\n","OC(=O)C(Cc1ccccc1)NC(=O)N","O=C(N)NC(C(=O)O)Cc1ccccc1","",1,"DL-Phenylalanine, N-(aminocarbonyl)-(1)","37534-65-9(1)","4646","Medium Reliability","Stereochemistry removed"]
[60,"CC(C)N1C(=O)c2c(NS1(=O)=O)cccc2\nCC(C)N1C(=O)c2ccccc2NS1(=O)=O\n\n","CC(N1C(=O)c2ccccc2NS1(=O)=O)C","O=C1c2ccccc2(NS(=O)(=O)N1C(C)C)","",1,"BENTAZONE(1)","25057-89-0(1)","4375","High Reliability"]
[61,"CC(C)(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O","O=[N+]([O-])c1cc(c(O)c(c1)C(C)(C)C)[N+](=O)[O-]","",1,"Dinoterb(1)","1420-07-1(1)","2901","High Reliability"]
[62,"CCC(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C","O=[N+]([O-])c1cc(c(O)c(c1)C(C)CC)[N+](=O)[O-]","",1,"DINOSEB(1)","88-85-7(1)","622","High Reliability"]
[63,"CCc1c(CC)nc2cnc(=O)[nH]c2n1\nCCc1nc2cnc(O)nc2nc1CC\n\n","CCc1nc2[nH]c(=O)ncc2nc1CC","O=C1N=Cc2nc(c(nc2(N1))CC)CC","",1,"2-Pteridinol, 6,7-diethyl-(1)","90870-76-1(1)","5360","Medium Reliability"]
[64,"CCc1nc2c(nc1CC)c(O)ncn2\nCCc1nc2ncnc(O)c2nc1CC\n\n","CCc1nc2c(O)ncnc2nc1CC","Oc1ncnc2nc(c(nc12)CC)CC","",1,"4-Pteridinol, 6,7-diethyl-(1)","102943-71-5(1)","5478","Medium Reliability"]
[65,"Cn1c(=O)n(C)c2nc(C)c(C)nc2c1=O\n\n\n","Cc1nc2c(nc1C)c(=O)n(c(=O)n2C)C","O=C2c1nc(c(nc1N(C(=O)N2C)C)C)C","",1,"2,4(1H,3H)-Pteridinedione, 1,3,6,7-tetramethyl-(1)","2625-25-4(1)","3259","High Reliability"]
[66,"OCC1OC(C(O)C1O)n2cnc3cncnc23\n\n\n","OCC1OC(C(C1O)O)n1cnc2c1ncnc2","OCC3OC(n2cnc1cncnc12)C(O)C3(O)","",1,"NEBULARINE(1)","550-33-4(1)","2123","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[67,"OCC1OC(C(O)C1O)n2cnc3c2ncnc3O\nOCC1OC(C(O)C1O)n2cnc3c(O)ncnc23\nOCC1OC(C(O)C1O)n2cnc3c(=O)nc[nH]c23\n","OCC1OC(C(C1O)O)n1cnc2c1ncnc2O","Oc3ncnc1c3(ncn1C2OC(CO)C(O)C2(O))","",1,"INOSINE(1)","58-63-9(1)","155","High Reliability","Stereochemistry removed"]
[68,"CC(=O)Nc1ccc(C=NNC(N)=S)cc1\n\n\n","CC(=O)Nc1ccc(cc1)C=NNC(=S)N","O=C(Nc1ccc(C=NNC(N)=S)cc1)C","",1,"Thiacetazone(1)","104-06-3(1)","947","Medium Reliability","Stereochemistry removed"]
[69,"COc1ccc(C=CC)cc1\nCOc1ccc(CC=C)cc1\n\n","CC=Cc1ccc(cc1)OC","O(c1ccc(cc1)C=CC)C","",2,"ANETHOLE(1), Benzene, 1-methoxy-4-(2-propenyl)-(1)","104-46-1(1), 140-67-0(1)","953, 1557","High Reliability","Stereochemistry removed"]
[70,"Oc1ccc2CCCCc2c1\n\n\n","Oc1ccc2c(c1)CCCC2","Oc1ccc2c(c1)CCCC2","",1,"2-NAPHTHALENOL, 5,6,7,8-TETRAHYDRO-(1)","1125-78-6(1)","2843","High Reliability","Checked on PubChem, Checked on ChemID"]
[71,"CCCOC(=O)c1ccccc1\n\n\n","CCCOC(=O)c1ccccc1","O=C(OCCC)c1ccccc1","",1,"PROPYL BENZOATE(1)","2315-68-6(1)","3170","High Reliability"]
[72,"COc1c(O)ccc(CC=C)c1\n\n\n","C=CCc1ccc(c(c1)OC)O","Oc1ccc(cc1(OC))CC=C","",1,"EUGENOL(1)","97-53-0(1)","795","High Reliability"]
[73,"Cc1cc(C)c(C(O)=O)c(C)c1\n\n\n","OC(=O)c1c(C)cc(cc1C)C","O=C(O)c1c(cc(cc1C)C)C","",1,"2,4,6-Trimethylbenzoic acid(1)","480-63-7(1)","1848","High Reliability"]
[74,"CC(C)c1ccc(cc1)C(O)=O\n\n\n","CC(c1ccc(cc1)C(=O)O)C","O=C(O)c1ccc(cc1)C(C)C","",1,"CUMIC ACID(1)","536-66-3(1)","2040","High Reliability"]
[75,"Cc1cc(C)c(CC(O)=O)cc1\n\n\n","OC(=O)Cc1ccc(cc1C)C","O=C(O)Cc1ccc(cc1C)C","",1,"Benzeneacetic acid, 2,4-dimethyl-(1)","6331-04-0(1)","3746","High Reliability"]
[76,"CCSC(C(O)=O)c1ccccc1\n\n\n","CCSC(c1ccccc1)C(=O)O","O=C(O)C(c1ccccc1)SCC","",1,"Benzeneacetic acid, .alpha.-(ethylthio)-(1)","60340-41-2(1)","4992","Medium Reliability"]
[77,"CCCOC(=O)c1ccc(O)cc1\n\n\n","CCCOC(=O)c1ccc(cc1)O","O=C(OCCC)c1ccc(O)cc1","",1,"p-hydroxypropylbenzoate(1)","94-13-3(1)","719","Medium Reliability","Name verified in PubChem"]
[78,"CCOc1ccc(C=O)cc1OC\n\n\n","CCOc1ccc(cc1OC)C=O","O=Cc1ccc(OCC)c(OC)c1","",1,"Benzaldehyde, 4-ethoxy-3-methoxy-(1)","120-25-2(1)","1354","High Reliability"]
[79,"Cc1cc(OCC(O)=O)cc(C)c1\n\n\n","OC(=O)COc1cc(C)cc(c1)C","O=C(O)COc1cc(cc(c1)C)C","",1,"Acetic acid, (3,5-dimethylphenoxy)-(1)","5406-14-4(1)","3601","Medium Reliability"]
[80,"OCCCOC(=O)c1ccccc1\nOCCCO.OC(=O)c1ccccc1\n\n","OCCCOC(=O)c1ccccc1","O=C(OCCCO)c1ccccc1","",1,"1,3-propanediol,monobenzoate(1)","6946-99-2(1)","3802","High Reliability","Name verified in PubChem"]
[81,"COc1cc(C=O)cc(OC)c1OC\n\n\n","COc1cc(C=O)cc(c1OC)OC","O=Cc1cc(OC)c(OC)c(OC)c1","",1,"Benzaldehyde, 3,4,5-trimethoxy-(1)","86-81-7(1)","576","High Reliability"]
[82,"CC12C3CCC(O3)C1(C)C(=O)OC2=O\n\n\n","O=C1OC(=O)C2(C1(C)C1CCC2O1)C","O=C2OC(=O)C3(C)(C1OC(CC1)C23(C))","",1,"Cantharidin(1)","56-25-7(1)","91","High Reliability","Stereochemistry removed"]
[83,"CCCOC(=O)c1cc(O)c(O)c(O)c1\n\n\n","CCCOC(=O)c1cc(O)c(c(c1)O)O","O=C(OCCC)c1cc(O)c(O)c(O)c1","",1,"PROPYL GALLATE(1)","121-79-9(1)","1380","High Reliability"]
[84,"CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccc(C)cc1\n\n\n","Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F","O=S(=O)(N(c1ccc(cc1)C)SC(F)(Cl)Cl)N(C)C","",1,"TOLYFLUANIDE(1)","731-27-1(1)","2661","High Reliability"]
[85,"CCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl\n\n\n","CCOP(=S)(Oc1ccc(cc1Cl)Cl)OCC","O(c1ccc(cc1Cl)Cl)P(OCC)(OCC)=S","",1,"DICHLOFENTHION(1)","97-17-6(1)","791","High Reliability"]
[86,"CN(C)C=Nc1ccc(Cl)cc1C\n\n\n","CN(C=Nc1ccc(cc1C)Cl)C","N(=CN(C)C)c1ccc(cc1C)Cl","",1,"CHLORDIMEFORM(1)","6164-98-3(1)","3709","High Reliability","Stereochemistry removed"]
[87,"CN(C)C(=O)Nc1cc(Cl)c(C)cc1\nCN(C)C(=O)Nc1ccc(C)c(Cl)c1\n\n","O=C(N(C)C)Nc1ccc(c(c1)Cl)C","O=C(Nc1ccc(c(c1)Cl)C)N(C)C","",1,"CHLORTOLURON(1)","15545-48-9(1)","4073","High Reliability"]
[88,"COc1c(Cl)cc(NC(=O)N(C)C)cc1\n\n\n","COc1ccc(cc1Cl)NC(=O)N(C)C","O=C(Nc1ccc(OC)c(c1)Cl)N(C)C","",1,"METOXURON(1)","19937-59-8(1)","4243","High Reliability"]
[89,"CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1\n\n\n","CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl","O=C(NCCC)NS(=O)(=O)c1ccc(cc1)Cl","",1,"CHLORPROPAMIDE(1)","94-20-2(1)","722","High Reliability"]
[90,"CN(C)C(=S)Nc1c(C)cc(Cl)cc1\nCN(C)C(=S)Nc1ccc(Cl)cc1C\n\n","Clc1ccc(c(c1)C)NC(=S)N(C)C","c1cc(cc(c1NC(N(C)C)=S)C)Cl","",1,"Chloromethiuron(1)","28217-97-2(1)","4459","High Reliability"]
[91,"CC(C)c1cc(Cl)c(C)cc1O\nCC(C)c1ccc(C)c(Cl)c1O\n\n","CC(c1cc(Cl)c(cc1O)C)C","Oc1cc(c(cc1C(C)C)Cl)C","",1,"chlorothymol(1)","89-68-9(1)","638","High Reliability","Name verified in PubChem"]
[92,"OC(=O)CC(N(CCC#N)CCC#N)C(O)=O\n\n\n","N#CCCN(C(C(=O)O)CC(=O)O)CCC#N","N#CCCN(CCC#N)C(C(=O)O)CC(=O)O","",1,"DL-Aspartic acid, N,N-bis(2-cyanoethyl)-(1)","6328-90-1(1)","3744","Medium Reliability"]
[93,"Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O\n\n\n","OCC1OC(CC1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O","[N-]=[N+]=NC1CC(OC1(CO))N2C=C(C(=O)NC2(=O))C","",1,"THYMIDINE, 3'-AZIDO-3'-DEOXY-(1)","30516-87-1(1)","4507","High Reliability","Stereochemistry removed"]
[94,"Nc1nc(=O)c2c([nH]1)n(cn2)C3OC(CO)C(O)C3O\nNc1nc2n(cnc2c(=O)[nH]1)C3OC(CO)C(O)C3O\n\n","OCC1OC(C(C1O)O)n1cnc2c1[nH]c(N)nc2=O","O=C3N=C(N)Nc1c3(ncn1C2OC(CO)C(O)C2(O))","",1,"GUANOSINE(1)","118-00-3(1)","1315","High Reliability","Stereochemistry removed"]
[95,"CCc1ccc(NC(C)=O)cc1\n\n\n","CCc1ccc(cc1)NC(=O)C","O=C(Nc1ccc(cc1)CC)C","",1,"4-ETHYLACETANILIDE(1)","3663-34-1(1)","3409","High Reliability"]
[96,"CCc1ccccc1NC(C)=O\nCCCC(=O)Nc1ccccc1\n\n","CCc1ccccc1NC(=O)C","O=C(Nc1ccccc1CC)C","",1,"2-ethylacetanilide(1)","33098-65-6(1)","4556","High Reliability","Name verified in PubChem"]
[97,"CCCOC(=O)c1ccc(N)cc1\n\n\n","CCCOC(=O)c1ccc(cc1)N","O=C(OCCC)c1ccc(N)cc1","",1,"PROPYL-P-AMINOBENZOATE(1)","94-12-2(1)","718","Medium Reliability"]
[98,"CCOc1ccc(NC(C)=O)cc1\n\n\n","CCOc1ccc(cc1)NC(=O)C","O=C(Nc1ccc(OCC)cc1)C","",1,"P-PHENACETIN(1)","62-44-2(1)","207","Medium Reliability"]
[99,"CC(C)OC(=O)c1ccc(N)cc1\n\n\n","CC(OC(=O)c1ccc(cc1)N)C","O=C(OC(C)C)c1ccc(N)cc1","",1,"Benzoic acid, 4-amino-, 1-methylethyl ester(1)","18144-43-9(1)","4181","High Reliability"]
[100,"CC(C)OC(=O)Nc1ccccc1\n\n\n","CC(OC(=O)Nc1ccccc1)C","O=C(OC(C)C)Nc1ccccc1","",1,"isopropylphenylcarbamate(1)","122-42-9(1)","1392","Medium Reliability","Name verified in PubChem"]
[101,"CNC(Cc1ccc(O)cc1)C(O)=O\n\n\n","CNC(C(=O)O)Cc1ccc(cc1)O","O=C(O)C(NC)Cc1ccc(O)cc1","",1,"L-Tyrosine, N-methyl-(1)","537-49-5(1)","2048","High Reliability","Stereochemistry removed"]
[102,"CCOc1ccc(NC(=O)CO)cc1\n\n\n","CCOc1ccc(cc1)NC(=O)CO","O=C(Nc1ccc(OCC)cc1)CO","",1,"Acetamide, N-(4-ethoxyphenyl)-2-hydroxy-(1)","22521-79-5(1)","4320","High Reliability"]
[103,"CCC(C)c1cc(c(O)cc1)[N+]([O-])=O\nCCC(C)c1ccc(O)c(c1)[N+]([O-])=O\n\n","CCC(c1ccc(c(c1)[N+](=O)[O-])O)C","O=[N+]([O-])c1cc(ccc1(O))C(C)CC","",1,"4-(SEC-BUTYL)-2-NITROPHENOL(1)","3555-18-8(1)","3394","High Reliability"]
[104,"CC(N)(Cc1ccc(O)c(O)c1)C(O)=O\nCOC(=O)C(N)Cc1ccc(O)c(O)c1\n\n","OC(=O)C(Cc1ccc(c(c1)O)O)(N)C","O=C(O)C(N)(C)Cc1ccc(O)c(O)c1","",1,"methyldopa(1)","555-30-6(1)","2147","High Reliability","Stereochemistry removed, Name verified in PubChem"]
[105,"C1CN(CCS1)c2ccccc2\n\n\n","S1CCN(CC1)c1ccccc1","c1ccc(cc1)N2CCSCC2","",1,"Thiomorpholine, 4-phenyl-(1)","55330-78-4(1)","4910","High Reliability"]
[106,"CC(C)(C)c1ccccc1\n\n\n","CC(c1ccccc1)(C)C","c1ccc(cc1)C(C)(C)C","",1,"T-BUTYLBENZENE(1)","98-06-6(1)","809","High Reliability"]
[107,"CCCCc1ccccc1\n\n\n","CCCCc1ccccc1","c1ccc(cc1)CCCC","",1,"N-BUTYLBENZENE(1)","104-51-8(1)","954","High Reliability"]
[108,"CCC(C)c1ccccc1\n\n\n","CCC(c1ccccc1)C","c1ccc(cc1)C(C)CC","",1,"SEC-BUTYLBENZENE(1)","135-98-8(1)","1526","High Reliability"]
[109,"CCc1ccc(CC)cc1\n\n\n","CCc1ccc(cc1)CC","c1cc(ccc1CC)CC","",1,"P-DIETHYLBENZENE(1)","105-05-5(1)","964","High Reliability"]
[110,"CCc1cc(CC)ccc1\n\n\n","CCc1cccc(c1)CC","c1cc(cc(c1)CC)CC","",1,"M-DIETHYLBENZENE(1)","141-93-5(1)","1575","High Reliability"]
[111,"CCc1ccccc1CC\n\n\n","CCc1ccccc1CC","c1ccc(c(c1)CC)CC","",2,"O-DIETHYLBENZENE(1), DIETHYLBENZENE(1)","135-01-3(1), 25340-17-4(1)","1522, 4396","High Reliability","Checked on ChemID"]
[112,"Cc1cc(C)c(C)cc1C\n\n\n","Cc1cc(C)c(cc1C)C","c1c(c(cc(c1C)C)C)C","",1,"1,2,4,5-TETRAMETHYLBENZENE(1)","95-93-2(1)","761","High Reliability"]
[113,"CC(C)c1cc(C)ccc1\n\n\n","Cc1cccc(c1)C(C)C","c1cc(cc(c1)C(C)C)C","",1,"M-CYMENE(1)","535-77-3(1)","2035","High Reliability"]
[114,"CC(C)c1ccc(C)cc1\n\n\n","Cc1ccc(cc1)C(C)C","c1cc(ccc1C)C(C)C","",1,"P-CYMENE(1)","99-87-6(1)","859","High Reliability"]
[115,"CC(C)c1c(C)cccc1\nCC(C)c1ccccc1C\n\n","CC(c1ccccc1C)C","c1ccc(c(c1)C)C(C)C","",1,"1-METHYL-2-ISOPROPYLBENZENE(1)","527-84-4(1)","2002","High Reliability"]
[116,"CC(C)Cc1ccccc1\n\n\n","CC(Cc1ccccc1)C","c1ccc(cc1)CC(C)C","",1,"ISOBUTYLBENZENE(1)","538-93-2(1)","2055","High Reliability"]
[117,"ClC(Cl)C(=O)N(CC=C)CC(=O)NCC=C\n\n\n","C=CCNC(=O)CN(C(=O)C(Cl)Cl)CC=C","O=C(NCC=C)CN(C(=O)C(Cl)Cl)CC=C","",1,"dka-24(1)","97454-00-7(1)","5408","Medium Reliability","Name verified in PubChem"]
[118,"CN1CCCC1c2cnccc2\n\n\n","CN1CCCC1c1cccnc1","n1cccc(c1)C2N(C)CCC2","",1,"NICOTINE(1)","54-11-5(1)","75","High Reliability","Stereochemistry removed"]
[119,"C1CCC(NC1)c2cccnc2\n\n\n","C1CCC(NC1)c1cccnc1","n1cccc(c1)C2NCCCC2","",1,"ANABASINE(1)","494-52-0(1)","1887","High Reliability","Stereochemistry removed"]
[120,"CCN(C(N)=O)c1ccccc1C\n\n\n","CCN(c1ccccc1C)C(=O)N","O=C(N)N(c1ccccc1C)CC","",1,"Urea, 1-ethyl-1-o-tolyl-(1)","20722-63-8(1)","4270","High Reliability","Checked on PubChem, Checked on ChemID"]
[121,"CCN(CC)C(=O)c1cccnc1\n\n\n","CCN(C(=O)c1cccnc1)CC","O=C(c1cnccc1)N(CC)CC","",1,"NIKETHAMIDE(1)","59-26-7(1)","164","High Reliability"]
[122,"CC(C)C1(CC=C)C(=O)NC(=O)NC1=O\n\n\n","C=CCC1(C(C)C)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC=C)C(C)C","",1,"APROBARBITAL(1)","77-02-1(1)","409","High Reliability"]
[123,"CC=CCC1(C)C(O)=NC(=O)N(C)C1=O\nCC=CCC1(C)C(=O)NC(=O)N(C)C1=O\n\n","CC=CCC1(C)C(=NC(=O)N(C1=O)C)O","O=C1N=C(O)C(C(=O)N1C)(C)CC=CC","",1,"Barbituric acid, 5-(2-butenyl)-1,5-dimethyl-(1)","91761-25-0(1)","5369","Medium Reliability"]
[124,"CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C\n\n\n","CC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)O","O=C2c1c(ncn1CC(O)C)N(C(=O)N2C)C","",1,"PROXYPHYLLINE(1)","603-00-9(1)","2373","High Reliability"]
[125,"Cn1c2c(n(CC(O)CO)cn2)c(=O)n(C)c1=O\n\n\n","OCC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)O","O=C2c1c(ncn1CC(O)CO)N(C(=O)N2C)C","",1,"Dyphylline(1)","479-18-5(1)","1841","High Reliability"]
[126,"Nc1c2ncn(C3OC(CO)C(OP(O)(O)=O)C3O)c2ncn1\nNc1ncnc2n(cnc12)C3OC(CO)C(OP(O)(O)=O)C3O\n\n","OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N","O=P(O)(O)OC1C(O)C(OC1(CO))n3cnc2c(ncnc23)N","",1,"3'-Adenylic acid(1)","84-21-9(1)","538","High Reliability","Stereochemistry removed"]
[127,"Nc1ncnc2c1ncn2C3OC(COP(O)(O)=O)C(O)C3O\n\n\n","OC1C(O)C(OC1n1cnc2c1ncnc2N)COP(=O)(O)O","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3(O)","",1,"5'-Adenylic acid(1)","61-19-8(1)","198","High Reliability","Stereochemistry removed"]
[128,"CCc1nc2nc(=N)[nH]c(N)c2nc1CC\nCCc1nc2nc(N)nc(N)c2nc1CC\n\n","CCc1nc2nc(=N)[nH]c(c2nc1CC)N","N=C2N=C1N=C(C(=NC1=C(N)N2)CC)CC","",1,"2,4-Pteridinediamine, 6,7-diethyl-(1)","19152-77-3(1)","4217","Medium Reliability"]
[129,"CCOP(=S)(OCC)Oc1ccc(cc1)[N+]([O-])=O\n\n\n","CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC","O=[N+]([O-])c1ccc(OP(OCC)(OCC)=S)cc1","",1,"PARATHION(1)","56-38-2(1)","94","High Reliability"]
[130,"CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O\n\n\n","CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC","O=[N+]([O-])c1ccc(OP(=O)(OCC)OCC)cc1","",1,"PARAOXON(1)","311-45-5(1)","1717","High Reliability"]
[131,"CC(C)(C)c1ccc(O)cc1\n\n\n","CC(c1ccc(cc1)O)(C)C","Oc1ccc(cc1)C(C)(C)C","",1,"P-T-BUTYLYPHENOL(1)","98-54-4(1)","819","Medium Reliability"]
[132,"CC(C)(C)c1cccc(O)c1\n\n\n","Oc1cccc(c1)C(C)(C)C","Oc1cccc(c1)C(C)(C)C","",1,"PHENOL, 3-(1,1-DIMETHYLETHYL)-(1)","585-34-2(1)","2249","High Reliability"]
[133,"CC(C)(C)c1c(O)cccc1\nCC(C)(C)Oc1ccccc1\nCC(C)(C)c1ccccc1O\n","Oc1ccccc1C(C)(C)C","Oc1ccccc1C(C)(C)C","",1,"o-t-butylphenol(1)","88-18-6(1)","612","High Reliability","Name verified in PubChem"]
[134,"CCC(C)c1ccc(O)cc1\n\n\n","CCC(c1ccc(cc1)O)C","Oc1ccc(cc1)C(C)CC","",1,"P-(SEC-BUTYL)PHENOL(1)","99-71-8(1)","855","High Reliability"]
[135,"CC(=C)C1CC=C(C)C(=O)C1\nCC(C)c1ccc(C)c(O)c1\n\n","CC(=C)C1CC=C(C(=O)C1)C","O=C1C(=CCC(C(=C)C)C1)C","",4,"CARVONE(1), Phenol, 2-methyl-5-(1-methylethyl)-(1), 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)(1), (R)-(-)-CARVONE(1)","99-49-0(1), 499-75-2(1), 2244-16-8(1), 6485-40-1(1)","847, 1907, 3146, 3758","High Reliability","Stereochemistry removed"]
[136,"CC(C)c1ccc(C)cc1O\n\n\n","Cc1ccc(c(c1)O)C(C)C","Oc1cc(ccc1C(C)C)C","",1,"THYMOL(1)","89-83-8(1)","642","High Reliability"]
[137,"CC(C)c1cccc(C)c1O\n\n\n","CC(c1cccc(c1O)C)C","Oc1c(cccc1C(C)C)C","",1,"2-ISOPROPYL-6-METHYLPHENOL(1)","3228-04-4(1)","3353","High Reliability"]
[138,"CC(C)c1c(O)ccc(C)c1\nCC(C)c1cc(C)ccc1O\n\n","Cc1ccc(c(c1)C(C)C)O","Oc1ccc(cc1C(C)C)C","",1,"Phenol, 4-methyl-2-(1-methylethyl)-(1)","4427-56-9(1)","3494","High Reliability"]
[139,"CC(C)(C)c1cc(O)c(O)cc1\n\n\n","Oc1ccc(cc1O)C(C)(C)C","Oc1ccc(cc1(O))C(C)(C)C","",1,"1,2-Benzenediol, 4-(1,1-dimethylethyl)-(1)","98-29-3(1)","814","High Reliability"]
[140,"CC1(C)C2CCC1(C)C(=O)C2=O\n\n\n","O=C1C(=O)C2(C(C1CC2)(C)C)C","O=C1C(=O)C2(C)(CCC1C2(C)(C))","",1,"CAMPHORQUINONE(1)","465-29-2(1)","1818","High Reliability"]
[141,"CCCCSc1cc(O)cc(O)c1\n\n\n","CCCCSc1cc(O)cc(c1)O","Oc1cc(O)cc(c1)SCCCC","",1,"1,3-Benzenediol, 5-(butylthio)-(1)","54839-92-8(1)","4897","Medium Reliability"]
[142,"COc1ccccc1OCC(O)CO\n\n\n","OCC(COc1ccccc1OC)O","OCC(O)COc1ccccc1(OC)","",1,"1,2-Propanediol, 3-(2-methoxyphenoxy)-(1)","93-14-1(1)","701","High Reliability"]
[143,"CCN(CC)c1ccccc1\n\n\n","CCN(c1ccccc1)CC","c1ccc(cc1)N(CC)CC","",1,"N,N-DIETHYLANILINE(1)","91-66-7(1)","674","High Reliability"]
[144,"CCc1cccc(CC)c1N\n\n\n","CCc1cccc(c1N)CC","Nc1c(cccc1CC)CC","",1,"2,6-DIETHYLANILINE(1)","579-66-8(1)","2222","High Reliability"]
[145,"CN(C)CCc1ccc(O)cc1\nCN(C)CCc1ccc(O)cc1.OS(O)(=O)=O\n\n","CN(CCc1ccc(cc1)O)C","Oc1ccc(cc1)CCN(C)C","",1,"Hordenine(1)","539-15-1(1)","2057","High Reliability","Differences in counterions"]
[146,"CCN(CCO)c1ccccc1\n\n\n","OCCN(c1ccccc1)CC","OCCN(c1ccccc1)CC","",1,"ETHANOL, 2-(ETHYLPHENYLAMINO)-(1)","92-50-2(1)","686","High Reliability"]
[147,"CNC(C)C(O)c1ccccc1\n\n\n","CNC(C(c1ccccc1)O)C","OC(c1ccccc1)C(NC)C","",1,"(1R,2S)-(-)-EPHEDRINE(1)","299-42-3(1)","1697","Medium Reliability","Stereochemistry removed"]
[148,"OCCN(CCO)c1ccccc1\n\n\n","OCCN(c1ccccc1)CCO","OCCN(c1ccccc1)CCO","",1,"PHENYLDIETHANOLAMINE(1)","120-07-0(1)","1350","High Reliability"]
[149,"COc1ccc(NCC(O)CO)cc1\n\n\n","OCC(CNc1ccc(cc1)OC)O","OCC(O)CNc1ccc(OC)cc1","",1,"3-p-anisidino-propane-1,2-diol(1)","121082-77-7(1)","5640","Medium Reliability"]
[150,"COP(=S)(OC)Oc1cc(C)c(SC)cc1\n\n\n","CSc1ccc(cc1C)OP(=S)(OC)OC","O(c1ccc(c(c1)C)SC)P(OC)(OC)=S","",1,"FENTHION(1)","55-38-9(1)","83","High Reliability"]
[151,"CCOP(=S)(CC)Sc1ccccc1\nOS.FONOP\n\n","CCP(=S)(Sc1ccccc1)OCC","O(CC)P(CC)(=S)Sc1ccccc1","",1,"FONOPHOS(1)","944-22-9(1)","2766","Medium Reliability"]
[152,"CC(C)=CCCC(=C)C=C\n\n\n","C=CC(=C)CCC=C(C)C","C=CC(=C)CCC=C(C)C","",1,"3-METHYLENE-7-METHYL-1,6-OCTADIENE  (MYRCENE)(1)","123-35-3(1)","1414","Medium Reliability"]
[153,"CC1=CCC2CC1C2(C)C\n\n\n","CC1=CCC2CC1C2(C)C","C1=C(C)C2CC(C1)C2(C)(C)","",1,"ALPHA-PINENE(1)","80-56-8(1)","495","High Reliability"]
[154,"CC1(C)C2CCC(C2)C1=C\n\n\n","C=C1C2CCC(C1(C)C)C2","C=C2C1CCC(C1)C2(C)C","",1,"CAMPHENE(1)","79-92-5(1)","483","High Reliability"]
[155,"CC(C)C1=CCC(C)=CC1\nCC(=C)C1CCC(C)=CC1\nCC(C)=C1CCC(C)=CC1\n","CC1=CCC(CC1)C(=C)C","C=C(C)C1CC=C(C)CC1","",4,"GAMMA-TERPINENE(1), LIMONENE(1), TERPINOLENE(1), D-LIMONENE(1)","99-85-4(1), 138-86-3(1), 586-62-9(1), 5989-27-5(1)","858, 1542, 2258, 3688","High Reliability","Stereochemistry removed"]
[156,"CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl\n\n\n","CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C","O=C(N(C(C)C)C(C)C)SCC(=C(Cl)Cl)Cl","",1,"TRIALLATE(1)","2303-17-5(1)","3160","High Reliability"]
[157,"CCCC1(CCC)C(=O)NC(=O)NC1=O\n\n\n","CCCC1(CCC)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CCC)CCC","",1,"barbituricacid,5,5-dipr(1)","2217-08-5(1)","3134","Medium Reliability","Name verified in PubChem"]
[158,"CCCCC1(CC)C(=O)NC(=O)NC1=O\n[Na+].CCCCC1(CC)C(=O)NC(=O)[N-]C1=O\n\n","CCCCC1(CC)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC)CCCC","",1,"5-BUTYL-5-ETHYLBARBITURIC ACID(1)","77-28-1(1)","415","High Reliability","Differences in counterions"]
[159,"[Na+].CCC(C)C1(CC)C(O)=NC(=O)N=C1[O-]\n[Na+].CCC(C)C1(CC)C(=O)NC(=O)[N-]C1=O\n\n","CCC(C1(CC)C(=NC(=O)N=C1O)O)C","O=C1N=C(O)C(C(O)=N1)(CC)C(C)CC","",1,"Butabarbital Sodium(1)","143-81-7(1)","1597","High Reliability"]
[160,"[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O\nOC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O\nCC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O.NCCN\n","OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O","O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O","",2,"EDTA, SODIUM SALT(1), ethylenediaminetetraaceticacid(1)","64-02-8(1), 60-00-4(1)","224, 178","Medium Reliability, High Reliability","Name verified in PubChem"]
[161,"CN1CC(O)N(C1=O)c2nnc(s2)C(C)(C)C\n\n\n","OC1CN(C(=O)N1c1nnc(s1)C(C)(C)C)C","O=C2N(c1nnc(C(C)(C)C)s1)C(O)CN2C","",1,"BUTHIDAZOLE(1)","55511-98-3(1)","4912","High Reliability"]
[162,"Nc1c(OC2OC(CO)C(O)C(O)C2O)c(O)nc(=N)[nH]1\nNc1nc(=O)c(c(N)[nH]1)OC2OC(CO)C(O)C(O)C2O\n\n","OCC1OC(Oc2c(O)nc(=N)[nH]c2N)C(C(C1O)O)O","N=C2N=C(O)C(OC1OC(CO)C(O)C(O)C1(O))=C(N)N2","",1,"Vicine(1)","152-93-2(1)","1634","High Reliability","Stereochemistry removed"]
[163,"Nc1ncnc2c1ncn2C3OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C3O\n\n\n","OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1ncnc2N","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3(O)","",1,"Adenosine Triphosphate(1)","56-65-5(1)","103","High Reliability","Stereochemistry removed"]
[164,"CNC(NCCSCc1c(C)[nH]cn1)=NC#N\nCN=C(NCCSCc1nc[nH]c1C)NC#N\n\n","N#CN=C(NCCSCc1nc[nH]c1C)NC","N#CN=C(NC)NCCSCc1nc[nH]c1C","",1,"CIMETIDINE(1)","51481-61-9(1)","4813","High Reliability","Stereochemistry removed"]
[165,"CC1CCC(CC1=O)C(C)=C\nCC(C)C1=CC(=O)C(C)CC1\n\n","CC(=C)C1CCC(C(=O)C1)C","O=C1CC(C(=C)C)CCC1C","",2,"2-METHYL-5-(1-METHYLETHENYL)CYCLOHEXANONE(1), 6-METHYL-3-ISOPROPYL-2-CYCLOHEXEN-1-ONE(1)","7764-50-3(1), 499-74-1(1)","3880, 1906","High Reliability","Checked on PubChem, Checked on ChemID"]
[166,"CC(C)=CCCC(C)=CC=O\n\n\n","O=CC=C(CCC=C(C)C)C","O=CC=C(C)CCC=C(C)C","",1,"CITRAL(1)","5392-40-5(1)","3596","High Reliability","Stereochemistry removed"]
[167,"CC12OC1CC3CC2C3(C)C\n\n\n","CC1(C)C2CC3C(C1C2)(C)O3","O1C2CC3CC(C12(C))C3(C)(C)","",1,"alpha-Pinene Oxide(1)","1686-14-2(1)","2958","High Reliability"]
[168,"CC1(C)C2CCC(C)(C2)C1=O\n\n\n","O=C1C2(C)CCC(C1(C)C)C2","O=C2C1(C)(CCC(C1)C2(C)C)","",1,"d-Fenchone(1)","4695-62-9(1)","3523","High Reliability","Stereochemistry removed"]
[169,"CC1(C)C2CCC1(C)C(=O)C2\n\n\n","O=C1CC2C(C1(C)CC2)(C)C","O=C1CC2CCC1(C)C2(C)(C)","",2,"CAMPHOR(1), (1R,4R)-(+)-CAMPHOR(1)","76-22-2(1), 464-49-3(1)","393, 1815","High Reliability","Stereochemistry removed"]
[170,"CC1CCC2C1COC(=O)C2C\n\n\n","CC1CCC2C1COC(=O)C2C","O=C1OCC2C(C)CCC2(C1C)","",1,"Iridomyrmecin(1)","485-43-8(1)","1860","High Reliability","Stereochemistry removed"]
[171,"CC1(C)OC2(C)CCC1CC2=O\n\n\n","O=C1CC2CCC1(C)OC2(C)C","O=C2CC1CCC2(OC1(C)(C))C","",1,"2-Oxabicyclo[2.2.2]octan-6-one, 1,3,3-trimethyl-(1)","18679-55-5(1)","4203","Medium Reliability"]
[172,"CC(=O)C1CC(CC(O)=O)C1(C)C\n\n\n","OC(=O)CC1CC(C1(C)C)C(=O)C","O=C(O)CC1CC(C(=O)C)C1(C)(C)","",1,"Cyclobutaneacetic acid, 3-acetyl-2,2-dimethyl-(1)","473-72-3(1)","1833","High Reliability"]
[173,"CC(=O)CC(=O)OC1CCCCC1\n\n\n","O=C(CC(=O)C)OC1CCCCC1","O=C(OC1CCCCC1)CC(=O)C","",1,"Butanoic acid, 3-oxo-, cyclohexyl ester(1)","6947-02-0(1)","3803","Medium Reliability"]
[174,"CC1(C)C(CCC1(C)C(O)=O)C(O)=O\nCC1(C)C(CCC1(C)C([O-])=O)C([O-])=O\nCC1(C)C(CCC1(C)C(O)=O)C(O)=O\n","OC(=O)C1CCC(C1(C)C)(C)C(=O)O","O=C(O)C1CCC(C(=O)O)(C)C1(C)(C)","",2,"CAMPHORIC ACID(1), CIS-1,2,2-TRIMETHYL-1,3-CYCLOPENTANEDICARBOXYL*(1)","124-83-4(1), 5394-83-2(1)","1453, 3597","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[175,"CC(C)N(C(C)C)C(=O)SCC(Cl)=CCl\n\n\n","ClC=C(CSC(=O)N(C(C)C)C(C)C)Cl","O=C(N(C(C)C)C(C)C)SCC(=CCl)Cl","",1,"DIALLATE(1)","2303-16-4(1)","3159","High Reliability","Stereochemistry removed"]
[176,"CCOc1cc(OP(=S)(OC)OC)nc(CC)n1\n\n\n","CCOc1cc(nc(n1)CC)OP(=S)(OC)OC","n1c(OCC)cc(nc1CC)OP(OC)(OC)=S","",1,"ETRIMFOS(1)","38260-54-7(1)","4664","High Reliability"]
[177,"CN(C)C(=O)Nc1noc(c1)C(C)(C)C\n\n\n","O=C(N(C)C)Nc1noc(c1)C(C)(C)C","O=C(Nc1noc(c1)C(C)(C)C)N(C)C","",1,"ISOURON(1)","55861-78-4(1)","4924","High Reliability"]
[178,"CC(C)n1nc(C)cc1OC(=O)N(C)C\n\n\n","O=C(N(C)C)Oc1cc(nn1C(C)C)C","O=C(Oc1cc(nn1C(C)C)C)N(C)C","",1,"ISOLAN(1)","119-38-0(1)","1337","High Reliability"]
[179,"C1CCC2CCCCC2C1\n\n\n","C1CCC2C(C1)CCCC2","C1CCC2CCCCC2(C1)","",1,"DECAHYDRONAPHTHALENE(1)","91-17-8(1)","664","High Reliability"]
[180,"COC1OC(CNC(=O)N(CCCl)N=O)C(O)C(O)C1O\n\n\n","ClCCN(C(=O)NCC1OC(OC)C(C(C1O)O)O)N=O","O=NN(C(=O)NCC1OC(OC)C(O)C(O)C1(O))CCCl","",1,"Ranimustine(1)","58994-96-0(1)","4968","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[181,"CCN(CC)c1nc(NC(C)C)nc(Cl)n1\nCCN(CC)c1nc(Cl)nc(NC(C)C)n1\n\n","CCN(c1nc(NC(C)C)nc(n1)Cl)CC","n1c(nc(nc1N(CC)CC)Cl)NC(C)C","",1,"IPAZINE(1)","1912-25-0(1)","3020","High Reliability"]
[182,"COCCCNc1nc(NC(C)C)nc(Cl)n1\n\n\n","COCCCNc1nc(Cl)nc(n1)NC(C)C","n1c(nc(nc1NC(C)C)Cl)NCCCOC","",1,"G 34698(1)","1824-09-5(1)","2991","Medium Reliability"]
[183,"ON=C1CCCCCCCCC1=NO\n\n\n","ON=C1CCCCCCCCC1=NO","ON=C1C(=NO)CCCCCCCC1","",1,"1,2-Cyclodecanedione, dioxime(1)","18486-81-2(1)","4197","Medium Reliability"]
[184,"CCOC(=O)N1CCN(CC1)C(=O)OCC\n\n\n","CCOC(=O)N1CCN(CC1)C(=O)OCC","O=C(OCC)N1CCN(C(=O)OCC)CC1","",1,"1,4-Piperazinedicarboxylic acid, diethyl ester(1)","5470-28-0(1)","3628","High Reliability"]
[185,"CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC\n\n\n","CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C","O=C(ON=C(C)SC)N(C)SN(C(=O)ON=C(C)SC)C","",1,"THIODICARB(1)","59669-26-0(1)","4974","High Reliability","Stereochemistry removed"]
[186,"CC(C)=CCCC(C)(O)C=C\n\n\n","C=CC(CCC=C(C)C)(O)C","OC(C=C)(C)CCC=C(C)C","",1,"LINALOOL(1)","78-70-6(1)","442","High Reliability"]
[187,"CC(C)C1CCC(C)CC1=O\n\n\n","CC1CCC(C(=O)C1)C(C)C","O=C1CC(C)CCC1C(C)C","",1,"(-)-Menthone(1)","14073-97-3(1)","4008","High Reliability","Stereochemistry removed"]
[188,"CC(=C)C1CCC(C)(O)CC1\nCOc1cc(C=CCO)cc(OC)c1OC2OC(CO)C(O)C(O)C2O\n\n","CC(=C)C1CCC(CC1)(C)O","OC1(C)(CCC(C(=C)C)CC1)","",1,"beta-terpineol(1)","138-87-4(1)","1543","High Reliability","Stereochemistry removed, Name verified in PubChem"]
[189,"CC1=CCC(CC1)C(C)(C)O\n\n\n","CC1=CCC(CC1)C(O)(C)C","OC(C)(C)C1CC=C(C)CC1","",1,"ALPHA-TERPINEOL(1)","98-55-5(1)","820","High Reliability","Stereochemistry removed"]
[190,"CC(C)=CCCC(C)=CCO\n\n\n","OCC=C(CCC=C(C)C)C","OCC=C(C)CCC=C(C)C","",2,"GERANIOL(1), 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-(1)","106-24-1(1), 106-25-2(1)","986, 987","Medium Reliability, High Reliability","Stereochemistry removed"]
[191,"CC1(C)C2CCC1(C)C(O)C2\n\n\n","OC1CC2C(C1(C)CC2)(C)C","OC1CC2CCC1(C)C2(C)(C)","",2,"d-Borneol(1), BORNEOL(1)","464-43-7(1), 507-70-0(1)","1814, 1941","High Reliability","Stereochemistry removed"]
[192,"CC12CCC(CC1)C(C)(C)O2\n\n\n","CC12CCC(CC1)C(O2)(C)C","O1C(C)(C)C2CCC1(C)CC2","",1,"1,8-CINEOLE(1)","470-82-6(1)","1824","High Reliability"]
[193,"CC1=CCC(CC1O)C(C)(C)O\n\n\n","CC1=CCC(CC1O)C(O)(C)C","OC1C(=CCC(C1)C(O)(C)C)C","",1,"Sobrerol(1)","498-71-5(1)","1904","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[194,"CC(C)(OC1CCCCC1)C(O)=O\n\n\n","OC(=O)C(OC1CCCCC1)(C)C","O=C(O)C(OC1CCCCC1)(C)C","",1,"Propanoic acid, 2-(cyclohexyloxy)-2-methyl-(1)","91007-35-1(1)","5361","High Reliability"]
[195,"CCCCCCCC(C(O)=O)C(O)=O\n\n\n","CCCCCCCC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)CCCCCCC","",1,"Propanedioic acid, heptyl-(1)","760-54-3(1)","2673","Medium Reliability"]
[196,"CCCCC(CCC(O)=O)CC(O)=O\n\n\n","CCCCC(CC(=O)O)CCC(=O)O","O=C(O)CCC(CC(=O)O)CCCC","",1,"Hexanedioic acid, 3-butyl-(1)","24767-93-9(1)","4365","Medium Reliability"]
[197,"CCOC(=O)CCCCC(=O)OCC\n\n\n","CCOC(=O)CCCCC(=O)OCC","O=C(OCC)CCCCC(=O)OCC","",1,"DIETHYLHEXANEDIOATE(1)","141-28-6(1)","1563","High Reliability"]
[198,"CCCC(=O)OCCOC(=O)CCC\n\n\n","CCCC(=O)OCCOC(=O)CCC","O=C(OCCOC(=O)CCC)CCC","",1,"Butanoic acid, 1,2-ethanediyl ester(1)","105-72-6(1)","983","High Reliability","Checked on PubChem, Checked on ChemID"]
[199,"OC(=O)CCCCCCCCC(O)=O\n\n\n","OC(=O)CCCCCCCCC(=O)O","O=C(O)CCCCCCCCC(=O)O","",1,"DECANEDIOIC ACID(1)","111-20-6(1)","1209","High Reliability"]
[200,"CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC\n\n\n","CCN(C(=O)C(=C(OP(=O)(OC)OC)C)Cl)CC","O=C(C(=C(OP(=O)(OC)OC)C)Cl)N(CC)CC","",2,"PHOSPHAMIDON(2)","297-99-4(1), 13171-21-6(1)","1686, 3959","High Reliability","Stereochemistry removed"]
[201,"CN(C)C1CCCC=CCC1\n\n\n","CN(C1CCCC=CCC1)C","C1=CCCC(N(C)C)CCC1","",1,"4-Cycloocten-1-amine, N,N-dimethyl-(1)","66950-37-6(1)","5070","Medium Reliability","Stereochemistry removed"]
[202,"CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N\n\n\n","CCOP(=O)(OCC)SCC(=O)NC(C#N)(C)C","N#CC(NC(=O)CSP(=O)(OCC)OCC)(C)C","",1,"Cyanthoate(1)","3734-95-0(1)","3423","High Reliability"]
[203,"CC(C)CC(N)C(=O)NCC(=O)NCC(O)=O\n\n\n","CC(CC(C(=O)NCC(=O)NCC(=O)O)N)C","O=C(O)CNC(=O)CNC(=O)C(N)CC(C)C","",1,"Glycine, N-(N-L-leucylglycyl)-(1)","1187-50-4(1)","2863","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[204,"CCNc1nc(nc(OC)n1)N(CC)CC\nCCNc1nc(OC)nc(n1)N(CC)CC\n\n","CCNc1nc(OC)nc(n1)N(CC)CC","n1c(nc(nc1NCC)N(CC)CC)OC","",1,"2-DIETHYLAMINO-4-ETHYLAMINO-6-METHOXY-S-TRIAZI*(1)","13532-26-8(1)","3984","Medium Reliability"]
[205,"CCNc1nc(OC)nc(NC(C)CC)n1\n\n\n","CCNc1nc(NC(CC)C)nc(n1)OC","n1c(nc(nc1NCC)NC(C)CC)OC","",1,"SECBUMETON(1)","26259-45-0(1)","4417","High Reliability"]
[206,"COc1nc(NC(C)C)nc(NC(C)C)n1\n\n\n","COc1nc(NC(C)C)nc(n1)NC(C)C","n1c(nc(nc1NC(C)C)NC(C)C)OC","",1,"PROMETON(1)","1610-18-0(1)","2943","High Reliability"]
[207,"CCNc1nc(OC)nc(NC(C)(C)C)n1\n\n\n","CCNc1nc(OC)nc(n1)NC(C)(C)C","n1c(nc(nc1NCC)NC(C)(C)C)OC","",1,"TERBUMETON(1)","33693-04-8(1)","4569","High Reliability"]
[208,"CSc1nc(NC(C)C)nc(NC(C)C)n1\n\n\n","CSc1nc(NC(C)C)nc(n1)NC(C)C","n1c(nc(nc1NC(C)C)SC)NC(C)C","",1,"PROMETRYNE(1)","7287-19-6(1)","3825","High Reliability"]
[209,"CCNc1nc(SC)nc(NC(C)(C)C)n1\n\n\n","CCNc1nc(SC)nc(n1)NC(C)(C)C","n1c(nc(nc1NC(C)(C)C)SC)NCC","",1,"TERBUTRYN(1)","886-50-0(1)","2732","High Reliability"]
[210,"CCCCCCN1CCCC1=O\n\n\n","CCCCCCN1CCCC1=O","O=C1N(CCC1)CCCCCC","",1,"1-HEXYL-2-PYRROLIDONE(1)","4838-65-7(1)","3546","High Reliability"]
[211,"O=C1CCCCCCCCCN1\n\n\n","O=C1CCCCCCCCCN1","O=C1NCCCCCCCCC1","",1,"Azacycloundecan-2-one(1)","1009-89-8(1)","2796","High Reliability"]
[212,"CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC\n\n\n","CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC","O=C(OCC)CC(C(=O)OCC)SP(OC)(OC)=S","",1,"MALATHION(1)","121-75-5(1)","1379","Medium Reliability"]
[213,"CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC\n\n\n","CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC","O=C(OCC)CC(C(=O)OCC)SP(=O)(OC)OC","",1,"MALAOXON(1)","1634-78-2(1)","2948","High Reliability"]
[214,"CCCCCC1CCCC1\n\n\n","CCCCCC1CCCC1","CCCCCC1CCCC1","",1,"CYCLOPENTANE, PENTYL-(1)","3741-00-2(1)","3427","High Reliability"]
[215,"CCCCCCCCC=C\n\n\n","CCCCCCCCC=C","C=CCCCCCCCC","",1,"1-DECENE(1)","872-05-9(1)","2723","High Reliability"]
[216,"CC(C)C1CCC(C)CC1\n\n\n","CC1CCC(CC1)C(C)C","CC1CCC(CC1)C(C)C","",1,"P-MENTHANE(1)","99-82-1(1)","857","High Reliability"]
[217,"CCCC(=O)NCCNC(=O)CCC\n\n\n","CCCC(=O)NCCNC(=O)CCC","O=C(NCCNC(=O)CCC)CCC","",1,"Butanamide, N,N'-1,2-ethanediylbis-(1)","925-49-5(1)","2748","High Reliability"]
[218,"CCC(C)C(C)(COC(N)=O)COC(N)=O\n\n\n","CCC(C(COC(=O)N)(COC(=O)N)C)C","O=C(OCC(C)(COC(=O)N)C(C)CC)N","",1,"MEBUTAMATE(1)","64-55-1(1)","229","High Reliability"]
[219,"OCCN=C(O)CCCCC(O)=NCCO\nOCCNC(=O)CCCCC(=O)NCCO\n\n","OCCN=C(CCCCC(=NCCO)O)O","OC(=NCCO)CCCCC(O)=NCCO","",1,"Hexanediamide, N,N'-bis(2-hydroxyethyl)-(1)","1964-73-4(1)","3050","High Reliability"]
[220,"CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C\n\n\n","CCNP(=S)(OC(=CC(=O)OC(C)C)C)OC","O=C(OC(C)C)C=C(OP(OC)(NCC)=S)C","",1,"PROPETAMPHOS(1)","31218-83-4(1)","4521","High Reliability","Stereochemistry removed"]
[221,"CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC\n\n\n","CCOC(=O)N(C(=O)CSP(=S)(OCC)OCC)C","O=C(OCC)N(C(=O)CSP(OCC)(OCC)=S)C","",1,"MECARBAM(1)","2595-54-2(1)","3249","High Reliability"]
[222,"CC(C)(C)C1CCC(O)CC1\n\n\n","OC1CCC(CC1)C(C)(C)C","OC1CCC(CC1)C(C)(C)C","",1,"Cyclohexanol, 4-(1,1-dimethylethyl)-(1)","98-52-2(1)","818","High Reliability"]
[223,"CCCCCCCCC(C)=O\n\n\n","CCCCCCCCC(=O)C","O=C(C)CCCCCCCC","",1,"2-DECANONE(1)","693-54-9(1)","2638","High Reliability"]
[224,"CC(C)C1CCC(C)CC1O\n\n\n","CC1CCC(C(C1)O)C(C)C","OC1CC(C)CCC1(C(C)C)","",3,"MENTHOL(1), CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-(1), MENTHOL (L)(1)","89-78-1(1), 1490-04-6(1), 2216-51-5(1)","640, 2915, 3131","High Reliability","Stereochemistry removed"]
[225,"CCCCCCCCCC(O)=O\n\n\n","CCCCCCCCCC(=O)O","O=C(O)CCCCCCCCC","",1,"DECANOIC ACID(1)","334-48-5(1)","1742","High Reliability"]
[226,"CCCCCCCCC(=O)OC\n\n\n","CCCCCCCCC(=O)OC","O=C(OC)CCCCCCCC","",1,"METHYL NONANOATE(1)","1731-84-6(1)","2974","High Reliability"]
[227,"CCCCCCCC(=O)OCC\n\n\n","CCCCCCCC(=O)OCC","O=C(OCC)CCCCCCC","",1,"ETHYL OCTANOATE(1)","106-32-1(1)","989","High Reliability"]
[228,"CC(C)(O)C1CCC(C)(O)CC1\n\n\n","CC1(O)CCC(CC1)C(O)(C)C","OC(C)(C)C1CCC(O)(C)CC1","",2,"Terpin(1), trans-Terpin(1)","80-53-5(1), 565-50-4(1)","494, 2188","High Reliability","Checked on PubChem, Checked on ChemID"]
[229,"CCCCCOC(=O)CCOCC\n\n\n","CCCCCOC(=O)CCOCC","O=C(OCCCCC)CCOCC","",1,"Propionic acid, 3-ethoxy-, pentyl ester(1)","14144-36-6(1)","4012","Medium Reliability"]
[230,"CCCCOCCOCCOC(C)=O\n\n\n","CCCCOCCOCCOC(=O)C","O=C(OCCOCCOCCCC)C","",1,"DIETHYLENE GLYCOL MONOBUTYL ETHER ACETATE(1)","124-17-4(1)","1441","High Reliability"]
[231,"CCC(CC)C(=O)N(CC)CC\n\n\n","CCC(C(=O)N(CC)CC)CC","O=C(N(CC)CC)C(CC)CC","",1,"Butanamide, N,N,2-triethyl-(1)","79868-38-5(1)","5256","Medium Reliability"]
[232,"CCCSC(=O)N(CCC)CCC\n\n\n","CCCSC(=O)N(CCC)CCC","O=C(N(CCC)CCC)SCCC","",1,"VERNOLATE(1)","1929-77-7(1)","3038","High Reliability"]
[233,"CCCCN(CC)C(=O)SCCC\n\n\n","CCCCN(C(=O)SCCC)CC","O=C(N(CC)CCCC)SCCC","",1,"PEBULATE(1)","1114-71-2(1)","2825","High Reliability"]
[234,"CCCCCCCCCC\n\n\n","CCCCCCCCCC","CCCCCCCCCC","",1,"N-DECANE(1)","124-18-5(1)","1442","High Reliability"]
[235,"CCCCC(C)(C)CCC\n\n\n","CCCCC(CCC)(C)C","CCCCC(C)(C)CCC","",1,"4,4-Dimethyloctane(1)","15869-95-1(1)","4080","High Reliability"]
[236,"CCCCCCCCCCO\n\n\n","CCCCCCCCCCO","OCCCCCCCCCC","",1,"1-DECANOL(1)","112-30-1(1)","1248","High Reliability"]
[237,"CC(C)CCOCCC(C)C\n\n\n","CC(CCOCCC(C)C)C","O(CCC(C)C)CCC(C)C","",1,"DIISOPENTYL ETHER(1)","544-01-4(1)","2106","High Reliability"]
[238,"CCCCCCCCOCCO\n\n\n","CCCCCCCCOCCO","OCCOCCCCCCCC","",1,"Ethanol, 2-(octyloxy)-(1)","10020-43-6(1)","3893","High Reliability"]
[239,"CCCCOCCOCCCC\n\n\n","CCCCOCCOCCCC","O(CCOCCCC)CCCC","",1,"1,2-DIBUTOXYETHANE(1)","112-48-1(1)","1256","High Reliability"]
[240,"OCCCCCCCCCCO\n\n\n","OCCCCCCCCCCO","OCCCCCCCCCCO","",1,"1,10-Decanediol(1)","112-47-0(1)","1255","High Reliability"]
[241,"CCCCCCOCCOCCO\n\n\n","CCCCCCOCCOCCO","OCCOCCOCCCCCC","",1,"ETHANOL, 2- 2-(HEXYLOXY)ETHOXY -(1)","112-59-4(1)","1260","Medium Reliability"]
[242,"CCCCOCC(C)OCC(C)O\n\n\n","CCCCOCC(OCC(O)C)C","OC(C)COC(C)COCCCC","",1,"2-Propanol, 1-(2-butoxy-1-methylethoxy)-(1)","29911-28-2(1)","4494","High Reliability"]
[243,"CCCCOCCOCCOCCO\n\n\n","CCCCOCCOCCOCCO","OCCOCCOCCOCCCC","",1,"TRIETHYLENE GLYCOL BUTYL ETHER(1)","143-22-6(1)","1595","High Reliability"]
[244,"COCC(C)OCC(C)OC(C)CO\n\n\n","CC(OC(CO)C)COC(COC)C","OCC(OC(C)COC(C)COC)C","",1,"Dowanol TPM(1)","25498-49-1(1)","4401","High Reliability","Checked on PubChem, Checked on ChemID"]
[245,"OCC(CO)(CO)COCC(CO)(CO)CO\n\n\n","OCC(COCC(CO)(CO)CO)(CO)CO","OCC(CO)(CO)COCC(CO)(CO)CO","",1,"Dipentaerythritol(1)","126-58-9(1)","1461","High Reliability"]
[246,"CCCCCSS(=O)CCCCC\n\n\n","CCCCCSS(=O)CCCCC","O=S(CCCCC)SCCCCC","",1,"1-Pentanesulfinothioic acid, S-pentyl ester(1)","84549-06-4(1)","5301","Medium Reliability"]
[247,"CCCCCCCCCCN\n\n\n","CCCCCCCCCCN","NCCCCCCCCCC","",1,"N-DECYLAMINE(1)","2016-57-1(1)","3067","High Reliability"]
[248,"CCCCN(CCO)CCCC\n\n\n","CCCCN(CCCC)CCO","OCCN(CCCC)CCCC","",1,"2-Dibutylaminoethanol(1)","102-81-8(1)","924","High Reliability"]
[249,"CCCCP(=O)(CCCC)OCC\n\n\n","CCCCP(=O)(OCC)CCCC","O=P(OCC)(CCCC)CCCC","",1,"Phosphinic acid, dibutyl-, ethyl ester(1)","7100-92-7(1)","3815","Medium Reliability","Checked on PubChem"]
[250,"CCOP(=O)(SC(C)CC)SC(C)CC\n\n\n","CCOP(=O)(SC(CC)C)SC(CC)C","O=P(OCC)(SC(C)CC)SC(C)CC","",1,"CADUSAFOS(1)","95465-99-9(1)","5393","High Reliability"]
[251,"CCCCCCP(=O)(OCC)OCC\n\n\n","CCCCCCP(=O)(OCC)OCC","O=P(OCC)(OCC)CCCCCC","",1,"Phosphonic acid, hexyl-, diethyl ester(1)","16165-66-5(1)","4094","Medium Reliability"]
[252,"CCCCOP(=O)(CC)OCCCC\n\n\n","CCP(=O)(OCCCC)OCCCC","O=P(OCCCC)(OCCCC)CC","",1,"Phosphonic acid, ethyl-, dibutyl ester(1)","2404-58-2(1)","3193","Medium Reliability"]
[253,"Fc1ccc(cc1)N2C(=O)C(Cl)=C(Cl)C2=O\n\n\n","O=C1C(=C(C(=O)N1c1ccc(cc1)F)Cl)Cl","O=C1C(=C(C(=O)N1c2ccc(F)cc2)Cl)Cl","",1,"sparticide(1)","41205-21-4(1)","4740","Medium Reliability","Name verified in PubChem"]
[254,"ClC1=C(Cl)C(=O)c2c(cccc2)C1=O\nClC1=C(Cl)C(=O)c2ccccc2C1=O\n\n","O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl","O=C1c2ccccc2(C(=O)C(=C1Cl)Cl)","",1,"DICHLONE(1)","117-80-6(1)","1310","High Reliability"]
[255,"Clc1cc2c(cc(Cl)cc2Cl)c(Cl)c1\nClc1cc(Cl)c2cc(Cl)cc(Cl)c2c1\n\n","Clc1cc(Cl)c2c(c1)c(Cl)cc(c2)Cl","c2c1c(cc(cc1Cl)Cl)c(cc2Cl)Cl","",1,"1,3,5,7-TETRACHLORONAPHTHALENE(1)","53555-64-9(1)","4873","High Reliability"]
[256,"Clc1cc2c(Cl)ccc(Cl)c2cc1Cl\nClc1ccc(Cl)c2cc(Cl)c(Cl)cc12\n\n","Clc1cc2c(Cl)ccc(c2cc1Cl)Cl","c2cc(c1cc(c(cc1c2Cl)Cl)Cl)Cl","",1,"1,4,6,7-TETRACHLORONAPHTHALENE(1)","55720-43-9(1)","4921","High Reliability"]
[257,"Clc1cccc2c(Cl)c(Cl)c(Cl)cc12\n\n\n","Clc1cc2c(Cl)cccc2c(c1Cl)Cl","c2cc1c(cc(c(c1Cl)Cl)Cl)c(c2)Cl","",1,"1,2,3,5-TETRACHLORONAPHTHALENE(1)","53555-63-8(1)","4872","High Reliability"]
[258,"Clc1c(Cl)c(Cl)c2ccccc2c1Cl\n\n\n","Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl","c1ccc2c(c1)c(c(c(c2Cl)Cl)Cl)Cl","",1,"1,2,3,4-TETRACHLORONAPHTHALENE(1)","20020-02-4(1)","4245","High Reliability"]
[259,"Clc1cc2c(Cl)cc(Cl)cc2cc1\nClc1ccc2cc(Cl)cc(Cl)c2c1\n\n","Clc1cc(Cl)c2c(c1)ccc(c2)Cl","c1cc(cc2c1cc(cc2Cl)Cl)Cl","",1,"1,3,7-TRICHLORONAPHTHALENE(1)","55720-37-1(1)","4919","High Reliability"]
[260,"Clc1cc2cc(Cl)c(Cl)cc2cc1\n\n\n","Clc1ccc2c(c1)cc(c(c2)Cl)Cl","c1cc(cc2cc(c(cc12)Cl)Cl)Cl","",1,"2,3,6-TRICHLORONAPHTHALENE(1)","55720-40-6(1)","4920","High Reliability"]
[261,"ClC1C=CC2C1C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl\n\n\n","ClC1C=CC2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl","C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"HEPTACHLOR(1)","76-44-8(1)","399","High Reliability"]
[262,"ClC1C2OC2C3C1C4(Cl)C(Cl)=C(Cl)C3(Cl)C4(Cl)Cl\n\n\n","ClC1C2OC2C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl","O1C2C1C(C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"HEPTACHLOR EPOXIDE(1)","1024-57-3(1)","2801","High Reliability"]
[263,"[O-][N+](=O)c1cccc2c(ccc(c12)[N+]([O-])=O)[N+]([O-])=O\n[O-][N+](=O)c1ccc(c2c1cccc2[N+]([O-])=O)[N+]([O-])=O\n\n","[O-][N+](=O)c1ccc(c2c1cccc2[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c2ccc(c1c2(cccc1[N+](=O)[O-]))[N+](=O)[O-]","",1,"Naphthalene, 1,4,5-trinitro-(1)","2243-95-0(1)","3145","High Reliability"]
[264,"Clc1cccc2cccc(Cl)c12\n\n\n","Clc1cccc2c1c(Cl)ccc2","c2cc1cccc(c1c(c2)Cl)Cl","",1,"1,8-DICHLORONAPHTHALENE(1)","2050-74-0(1)","3081","High Reliability"]
[265,"Clc1cc2cc(Cl)ccc2cc1\n\n\n","Clc1ccc2c(c1)cc(cc2)Cl","c1cc(cc2cc(ccc12)Cl)Cl","",1,"2,7-DICHLORONAPHTHALENE(1)","2198-77-8(1)","3122","High Reliability"]
[266,"Clc1cc2ccc(Cl)cc2cc1\n\n\n","Clc1ccc2c(c1)ccc(c2)Cl","c1cc(cc2ccc(cc12)Cl)Cl","",1,"2,6-DICHLORONAPHTHALENE(1)","2065-70-5(1)","3088","High Reliability"]
[267,"Clc1cccc2c(Cl)cccc12\n\n\n","Clc1cccc2c1cccc2Cl","c2cc1c(cccc1Cl)c(c2)Cl","",1,"1,5-DICHLORONAPHTHALENE(1)","1825-30-5(1)","2992","High Reliability"]
[268,"Clc1c2ccccc2c(Cl)cc1\nClc1ccc(Cl)c2ccccc12\n\n","Clc1ccc(c2c1cccc2)Cl","c1ccc2c(c1)c(ccc2Cl)Cl","",1,"1,4-DICHLORONAPHTHALENE(1)","1825-31-6(1)","2993","High Reliability"]
[269,"Clc1c(Cl)cc2ccccc2c1\nClc1cc2ccccc2cc1Cl\n\n","Clc1cc2ccccc2cc1Cl","c1ccc2cc(c(cc2(c1))Cl)Cl","",1,"2,3-DICHLORONAPHTHALENE(1)","2050-75-1(1)","3082","High Reliability"]
[270,"Clc1ccc2ccccc2c1Cl\n\n\n","Clc1ccc2c(c1Cl)cccc2","c1ccc2c(c1)ccc(c2Cl)Cl","",1,"1,2-DICHLORONAPHTHALENE(1)","2050-69-3(1)","3080","High Reliability"]
[271,"Clc1cc(Cl)nc(n1)-c2ccccc2\n\n\n","Clc1cc(Cl)nc(n1)c1ccccc1","n1c(nc(cc1Cl)Cl)c2ccccc2","",1,"FENCLORIM(1)","3740-92-9(1)","3426","High Reliability"]
[272,"Clc1c(Cl)c(=O)n(nc1)-c2ccccc2\n\n\n","Clc1cnn(c(=O)c1Cl)c1ccccc1","O=C1C(=C(C=NN1c2ccccc2)Cl)Cl","",1,"2-Phenyl-4,5-dichloro-3-pyridazinone(1)","1698-53-9(1)","2964","High Reliability"]
[273,"COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl\n\n\n","COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC","O=C(OC)c1c(c(c(C(=O)OC)c(c1Cl)Cl)Cl)Cl","",1,"DIMETHYL TETRACHLOROTEREPHTHALATE(1)","1861-32-1(1)","3002","High Reliability"]
[274,"ClC1CC2C(C1Cl)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl\n[H]C12CC(Cl)C(Cl)C1([H])C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl\nClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl\n","ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl","C2(=C(C3(C1C(CC(C1Cl)Cl)C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","",3,"CHLORDANE(1), ALPHA-CHLORDANE(1), CHLORDANE (TRANS)(1)","57-74-9(1), 5103-71-9(1), 5103-74-2(1)","137, 3561, 3562","High Reliability","Stereochemistry removed"]
[275,"Clc1cc2c(cc1)N=C([N-][N+]2=O)n3ccnc3\n[O-][n+]1nc(nc2ccc(Cl)cc12)-n3ccnc3\n\n","Clc1ccc2c(c1)[N+](=O)[N-]C(=N2)n1cncc1","O=[N+]2[N-]C(=Nc1ccc(cc12)Cl)n3cncc3","",1,"TRIAZOXIDE(1)","72459-58-6(1)","5174","High Reliability"]
[276,"OC(=O)c1c2ncccc2c(cc1)N(=O)=O\nOC(=O)c1ccc(c2cccnc12)[N+]([O-])=O\n\n","OC(=O)c1ccc(c2c1nccc2)[N+](=O)[O-]","O=C(O)c1ccc(c2cccnc12)[N+](=O)[O-]","",1,"8-Quinolinecarboxylic acid, 5-nitro-(1)","83848-59-3(1)","5295","Medium Reliability"]
[277,"[O-][N+](=O)c1cccc2cccc(c12)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-]","O=[N+]([O-])c2cccc1cccc(c12)[N+](=O)[O-]","",1,"NAPHTHALENE, 1,8-DINITRO-(1)","602-38-0(1)","2368","High Reliability"]
[278,"[O-][N+](=O)c1cccc2c(cccc12)[N+]([O-])=O\n[O-][N+](=O)c1cccc2c1cccc2[N+]([O-])=O\n\n","[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-]","O=[N+]([O-])c2cccc1c2(cccc1[N+](=O)[O-])","",1,"NAPHTHALENE, 1,5-DINITRO-(1)","605-71-0(1)","2381","High Reliability"]
[279,"Cc1cc2nc3c(sc(=O)s3)nc2cc1\nCc1ccc2nc3sc(=O)sc3nc2c1\n\n","Cc1ccc2c(c1)nc1c(n2)sc(=O)s1","O=C2Sc1nc3ccc(cc3(nc1S2))C","",1,"OXYTHIOQUINOX(1)","2439-01-2(1)","3208","High Reliability"]
[280,"OC(=O)c1cc2ccccc2oc1=O\n\n\n","OC(=O)c1cc2ccccc2oc1=O","O=C(O)C1=Cc2ccccc2(OC1(=O))","",1,"2H-1-Benzopyran-3-carboxylic acid, 2-oxo-(1)","531-81-7(1)","2019","High Reliability"]
[281,"OC(=O)c1cc2ccccc2c(=O)o1\n\n\n","OC(=O)c1cc2ccccc2c(=O)o1","O=C(O)C=1OC(=O)c2ccccc2(C=1)","",1,"1H-2-Benzopyran-3-carboxylic acid, 1-oxo-(1)","2289-03-4(1)","3158","High Reliability"]
[282,"OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(O)=O\n\n\n","OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O","O=C(O)c1cc(C(=O)O)c(cc1(C(=O)O))C(=O)O","",1,"PYROMELLITIC ACID(1)","89-05-4(1)","628","High Reliability"]
[283,"Brc1ccc2ccccc2c1\n\n\n","Brc1ccc2c(c1)cccc2","c1ccc2cc(ccc2(c1))Br","",1,"2-BROMONAPHTHALENE(1)","580-13-2(1)","2224","High Reliability"]
[284,"Brc1c2ccccc2ccc1\nBrc1cccc2ccccc12\n\n","Brc1cccc2c1cccc2","c1ccc2c(c1)cccc2Br","",1,"1-BROMONAPHTHALENE(1)","90-11-9(1)","649","High Reliability"]
[285,"Brc1cnc([nH]c1=O)-c2ccccc2\nBrc1c[nH]c(nc1=O)-c2ccccc2\n\n","O=c1[nH]c(ncc1Br)c1ccccc1","O=C1NC(=NC=C1Br)c2ccccc2","",1,"4(1H)-Pyrimidinone, 5-bromo-2-phenyl-(1)","26786-28-7(1)","4431","Medium Reliability","Checked on PubChem"]
[286,"Clc1ccc2ccccc2c1\n\n\n","Clc1ccc2c(c1)cccc2","c1ccc2cc(ccc2(c1))Cl","",1,"2-CHLORONAPHTHALENE(1)","91-58-7(1)","671","High Reliability"]
[287,"Clc1c2ccccc2ccc1\nClc1cccc2ccccc12\n\n","Clc1cccc2c1cccc2","c1ccc2c(c1)cccc2Cl","",1,"1-CHLORONAPHTHALENE(1)","90-13-1(1)","651","High Reliability"]
[288,"Fc1c2ccccc2ccc1\nFc1cccc2ccccc12\n\n","Fc1cccc2c1cccc2","Fc1cccc2ccccc12","",1,"1-FLUORONAPHTHALENE(1)","321-38-0(1)","1729","High Reliability"]
[289,"Ic1c2ccccc2ccc1\nIc1cccc2ccccc12\n\n","Ic1cccc2c1cccc2","c1ccc2c(c1)cccc2I","",1,"1-IODONAPHTHALENE(1)","90-14-2(1)","652","High Reliability"]
[290,"[nH]1c2c(cccc2)nc1-c3cscn3\n[nH]1c2ccccc2nc1-c3cscn3\n\n","c1scc(n1)c1nc2c([nH]1)cccc2","n1cscc1c2nc3ccccc3([nH]2)","",1,"THIABENDAZOLE(1)","148-79-8(1)","1617","High Reliability"]
[291,"OC(=O)c1c2cccnc2ccc1\nOC(=O)c1cccc2ncccc12\n\n","OC(=O)c1cccc2c1cccn2","O=C(O)c2cccc1ncccc12","",1,"5-Quinolinecarboxylic acid(1)","7250-53-5(1)","3822","High Reliability"]
[292,"OC(=O)c1ccc2ncccc2c1\n\n\n","OC(=O)c1ccc2c(c1)cccn2","O=C(O)c1ccc2ncccc2(c1)","",1,"6-Quinolinecarboxylic acid(1)","10349-57-2(1)","3914","High Reliability"]
[293,"OC(=O)c1cccc2c1nccc2\nOC(=O)c1cccc2cccnc12\n\n","OC(=O)c1cccc2c1nccc2","O=C(O)c2cccc1cccnc12","",1,"8-Quinolinecarboxylic acid(1)","86-59-9(1)","572","High Reliability"]
[294,"OC(=O)c1ccc2ccccc2n1\n\n\n","OC(=O)c1ccc2c(n1)cccc2","O=C(O)c1nc2ccccc2(cc1)","",1,"2-Quinolinecarboxylic acid(1)","93-10-7(1)","700","High Reliability"]
[295,"Oc1c2ccccc2ccc1N=O\nOc1c(ccc2ccccc12)N=O\n\n","O=Nc1ccc2c(c1O)cccc2","O=Nc1ccc2ccccc2(c1(O))","",1,"2-NITROSO-1-NAPHTHOL(1)","132-53-6(1)","1503","High Reliability"]
[296,"[O-][N+](=O)c1ccc2ccccc2c1\n\n\n","[O-][N+](=O)c1ccc2c(c1)cccc2","O=[N+]([O-])c1ccc2ccccc2(c1)","",1,"2-NITRONAPHTHALENE(1)","581-89-5(1)","2234","High Reliability"]
[297,"[O-][N+](=O)c1c2ccccc2ccc1\n[O-][N+](=O)c1cccc2ccccc12\n\n","[O-][N+](=O)c1cccc2c1cccc2","O=[N+]([O-])c2cccc1ccccc12","",1,"1-NITRONAPHTHALENE(1)","86-57-7(1)","571","High Reliability"]
[298,"Oc1ccc2ccccc2c1N=O\nON=C1C(=O)C=Cc2ccccc12\nOc1ccc2ccccc2c1N=O\n","O=Nc1c(O)ccc2c1cccc2","O=Nc2c(O)ccc1ccccc12","",2,"1-NITROSO-2-NAPHTHOL(1), 1,2-Naphthalenedione, 1-oxime(1)","131-91-9(1), 2636-79-5(1)","1501, 3266","High Reliability"]
[299,"Oc1c(c2ccccc2cc1)[N+]([O-])=O\nOc1ccc2ccccc2c1[N+]([O-])=O\n\n","[O-][N+](=O)c1c(O)ccc2c1cccc2","O=[N+]([O-])c2c(O)ccc1ccccc12","",1,"1-Nitro-2-naphthol(1)","550-60-7(1)","2124","High Reliability"]
[300,"c1cc2ccccc2cc1\n\n\n","c1ccc2c(c1)cccc2","c1ccc2ccccc2(c1)","",1,"NAPHTHALENE(1)","91-20-3(1)","667","High Reliability"]
[301,"Nc1c(Br)c(=O)n(nc1)-c2ccccc2\n\n\n","Nc1cnn(c(=O)c1Br)c1ccccc1","O=C1C(=C(N)C=NN1c2ccccc2)Br","",1,"Brompyrazone(1)","3042-84-0(1)","3318","High Reliability"]
[302,"Nc1c(Cl)c(=O)n(nc1)-c2ccccc2\n\n\n","Nc1cnn(c(=O)c1Cl)c1ccccc1","O=C1C(=C(N)C=NN1c2ccccc2)Cl","",1,"CHLORIDAZON(1)","1698-60-8(1)","2965","High Reliability"]
[303,"c1ccc(nc1)-c2cnccc2\n\n\n","c1ccc(nc1)c1cccnc1","n1cccc(c1)c2ncccc2","",1,"2,3'-BIPYRIDINE(1)","581-50-0(1)","2233","High Reliability"]
[304,"c1ccc(nc1)-c2ccccn2\n\n\n","c1ccc(nc1)c1ccccn1","n1ccccc1c2ncccc2","",1,"2,2-BIPYRIDINE(1)","366-18-7(1)","1756","High Reliability"]
[305,"c1cc(ccn1)-c2ccncc2\n\n\n","n1ccc(cc1)c1ccncc1","n1ccc(cc1)c2ccncc2","",1,"4,4'-DIPYRIDYL(1)","553-26-4(1)","2135","High Reliability"]
[306,"O=N(=O)Cc1nc2ccccc2cc1\n[O-][N+](=O)Cc1ccc2ccccc2n1\n\n","[O-][N+](=O)Cc1ccc2c(n1)cccc2","O=[N+]([O-])Cc1nc2ccccc2(cc1)","",1,"Quinoline, 2-(nitromethyl)-(1)","5114-78-3(1)","3564","Medium Reliability"]
[307,"Cc1nc2c(O)ccc(c2cc1)N(=O)=O\nCc1ccc2c(ccc(O)c2n1)[N+]([O-])=O\n\n","Cc1ccc2c(n1)c(O)ccc2[N+](=O)[O-]","O=[N+]([O-])c2ccc(O)c1nc(ccc12)C","",1,"8-Quinolinol, 2-methyl-5-nitro-(1)","38543-66-7(1)","4686","Medium Reliability"]
[308,"CC1=NN(C(=O)C1[N+]([O-])=O)c2ccc(cc2)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(cc1)N1N=C(C(C1=O)[N+](=O)[O-])C","O=C1N(N=C(C)C1[N+](=O)[O-])c2ccc(cc2)[N+](=O)[O-]","",1,"Picrolonic acid(1)","550-74-3(1)","2125","Medium Reliability"]
[309,"Oc1cc2c(cccc2)cc1\nOc1ccc2ccccc2c1\n\n","Oc1ccc2c(c1)cccc2","Oc1ccc2ccccc2(c1)","",1,"2-NAPHTHOL(1)","135-19-3(1)","1524","High Reliability"]
[310,"Oc1cccc2ccccc12\n\n\n","Oc1cccc2c1cccc2","Oc1cccc2ccccc12","",1,"1-NAPHTHOL(1)","90-15-3(1)","653","High Reliability"]
[311,"Cc1cc(=O)oc2ccccc12\n\n\n","O=c1cc(C)c2c(o1)cccc2","O=C2Oc1ccccc1C(=C2)C","",1,"2H-1-Benzopyran-2-one, 4-methyl-(1)","607-71-6(1)","2389","High Reliability"]
[312,"Oc1cc(O)c2ccccc2c1\n\n\n","Oc1cc2ccccc2c(c1)O","Oc1cc(O)c2ccccc2(c1)","",1,"NAPHTHALENE-1,3-DIOL(1)","132-86-5(1)","1508","High Reliability"]
[313,"Oc1cc2ccc(O)cc2cc1\n\n\n","Oc1ccc2c(c1)ccc(c2)O","Oc1ccc2cc(O)ccc2(c1)","",1,"2,6-NAPHTHALENEDIOL(1)","581-43-1(1)","2231","High Reliability"]
[314,"Oc1cccc2c(O)cccc12\n\n\n","Oc1cccc2c1cccc2O","Oc1cccc2c(O)cccc12","",1,"1,5-DIHYDROXYNAPHTHALENE(1)","83-56-7(1)","528","High Reliability"]
[315,"Oc1cc2c(cccc2)cc1O\nOc1cc2ccccc2cc1O\n\n","Oc1cc2ccccc2cc1O","Oc1cc2ccccc2(cc1(O))","",1,"2,3-NAPHTHALENEDIOL(1)","92-44-4(1)","685","High Reliability"]
[316,"COc1ccc2ccc(=O)oc2c1\n\n\n","COc1ccc2c(c1)oc(=O)cc2","O=C1Oc2cc(OC)ccc2(C=C1)","",1,"2H-1-Benzopyran-2-one, 7-methoxy-(1)","531-59-9(1)","2018","High Reliability"]
[317,"Cc1cc(=O)oc2c1cc(O)cc2\nCc1cc(=O)oc2ccc(O)cc12\n\n","Oc1ccc2c(c1)c(C)cc(=O)o2","O=C2Oc1ccc(O)cc1C(=C2)C","",1,"2H-1-Benzopyran-2-one, 6-hydroxy-4-methyl-(1)","2373-31-1(1)","3179","High Reliability"]
[318,"OS(=O)(=O)c1cc2c(cccc2)cc1\nOS(=O)(=O)c1ccc2ccccc2c1\n\n","OS(=O)(=O)c1ccc2c(c1)cccc2","O=S(=O)(O)c1ccc2ccccc2(c1)","",1,"NAPHTHALENE-2-SULFONIC ACID(1)","120-18-3(1)","1353","High Reliability"]
[319,"COc1c(oc2ccccc12)C(O)=O\n\n\n","COc1c(oc2c1cccc2)C(=O)O","O=C(O)c2oc1ccccc1c2(OC)","",1,"2-Benzofurancarboxylic acid, 3-methoxy-(1)","104315-56-2(1)","5487","Medium Reliability"]
[320,"OC(=O)C=Cc1ccc2OCOc2c1\n\n\n","OC(=O)C=Cc1ccc2c(c1)OCO2","O=C(O)C=Cc1ccc2OCOc2(c1)","",1,"3,4-(METHYLENEDIOXY)CINNAMIC ACID(1)","2373-80-0(1)","3180","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[321,"OS(=O)(=O)c1cc2c(cc1)c(ccc2)S(O)(=O)=O\n\n\n","OS(=O)(=O)c1ccc2c(c1)cccc2S(=O)(=O)O","O=S(=O)(O)c2ccc1c(cccc1S(=O)(=O)O)c2","",1,"1,6-Naphthalenedisulfonic acid(1)","525-37-1(1)","1987","High Reliability"]
[322,"COc1c(cc(cc1C(O)=O)C(O)=O)C(O)=O\n\n\n","COc1c(cc(cc1C(=O)O)C(=O)O)C(=O)O","O=C(O)c1cc(C(=O)O)c(OC)c(c1)C(=O)O","",1,"1,3,5-Benzenetricarboxylic acid, 2-methoxy-(1)","17445-86-2(1)","4156","Medium Reliability"]
[323,"COc1c(OC)c2c(COC2=O)c(Br)c1\n\n\n","COc1cc(Br)c2c(c1OC)C(=O)OC2","O=C1OCc2c1c(OC)c(OC)cc2Br","",1,"Phthalide, 4-bromo-6,7-dimethoxy-(1)","102877-24-7(1)","5477","Medium Reliability"]
[324,"CC(=C)C(=O)Nc1ccc(Cl)c(Cl)c1\n\n\n","CC(=C)C(=O)Nc1ccc(c(c1)Cl)Cl","O=C(Nc1ccc(c(c1)Cl)Cl)C(=C)C","",1,"DICRYL(1)","2164-09-2(1)","3114","High Reliability"]
[325,"CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl\n\n\n","CCOC(=O)COc1cc(Cl)c(cc1Cl)Cl","O=C(OCC)COc1cc(c(cc1Cl)Cl)Cl","",1,"2,4,5-T, ETHYL ESTER(1)","1928-39-8(1)","3033","Medium Reliability"]
[326,"OC(=O)CCCOc1c(Cl)cc(Cl)c(Cl)c1\n\n\n","OC(=O)CCCOc1cc(Cl)c(cc1Cl)Cl","O=C(O)CCCOc1cc(c(cc1Cl)Cl)Cl","",1,"2,4,5-TB(1)","93-80-1(1)","711","High Reliability"]
[327,"ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O\n\n\n","ClC(C(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl)Cl","O=C1N(C(=O)C2CC=CCC12)SC(C(Cl)Cl)(Cl)Cl","",1,"CAPTAFOL(1)","2425-06-1(1)","3199","High Reliability"]
[328,"COP(=O)(OC)OC(=CCl)c1c(Cl)cc(Cl)c(Cl)c1\nCOP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl\n\n","ClC=C(c1cc(Cl)c(cc1Cl)Cl)OP(=O)(OC)OC","O=P(OC(=CCl)c1cc(c(cc1Cl)Cl)Cl)(OC)OC","",2,"STIROFOS(1), TETRACHLORVINPHOS(1)","961-11-5(1), 22248-79-9(1)","2777, 4315","High Reliability","Stereochemistry removed"]
[329,"Nc1ccc(cc1)S(=O)(=O)Nc2ccc(Cl)nn2\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)Cl","O=S(=O)(Nc1nnc(cc1)Cl)c2ccc(N)cc2","",1,"Sulfachlorpyridazine(1)","80-32-0(1)","489","High Reliability"]
[330,"Nc1cc2c(cccc2)cc1\nNc1ccc2ccccc2c1\n\n","Nc1ccc2c(c1)cccc2","Nc1ccc2ccccc2(c1)","",1,"2-NAPHTHYLAMINE(1)","91-59-8(1)","672","High Reliability"]
[331,"Nc1cccc2c1cccc2\nNc1cccc2ccccc12\n\n","Nc1cccc2c1cccc2","Nc1cccc2ccccc12","",1,"1-NAPHTHYLAMINE(1)","134-32-7(1)","1520","High Reliability"]
[332,"Cn1ccc(=O)c2ccccc12\n\n\n","Cn1ccc(=O)c2c1cccc2","O=C1C=CN(c2ccccc12)C","",1,"4(1H)-Quinolinone, 1-methyl-(1)","83-54-5(1)","527","High Reliability"]
[333,"Cn1c(=O)ccc2ccccc12\n\n\n","Cn1c(=O)ccc2c1cccc2","O=C2C=Cc1ccccc1N2C","",1,"1-METHYL-2(H)-QUINOLINONE(1)","606-43-9(1)","2386","Medium Reliability"]
[334,"Cc1cc(=O)c2ccccc2[nH]1\nCc1cc(O)c2ccccc2n1\n\n","Cc1cc(=O)c2c([nH]1)cccc2","O=C1C=C(Nc2ccccc12)C","",1,"4-Hydroxy-2-methylquinoline(1)","607-67-0(1)","2388","Medium Reliability"]
[335,"OC(=O)Cc1c[nH]c2c1cccc2\nOC(=O)Cc1c[nH]c2ccccc12\n\n","OC(=O)Cc1c[nH]c2c1cccc2","O=C(O)Cc2c[nH]c1ccccc12","",1,"INDOLE-3-ACETIC ACID(1)","87-51-4(1)","590","High Reliability"]
[336,"OC(=O)C=CC(O)=Nc1ccccc1\nOC(=O)C=CC(=O)Nc1ccccc1\n\n","OC(=Nc1ccccc1)C=CC(=O)O","O=C(O)C=CC(O)=Nc1ccccc1","",1,"Maleanilic acid(1)","555-59-9(1)","2149","High Reliability","Stereochemistry removed"]
[337,"C=CCOC1=NS(=O)(=O)c2ccccc12\n\n\n","C=CCOC1=NS(=O)(=O)c2c1cccc2","O=S2(=O)(N=C(OCC=C)c1ccccc12)","",1,"Probenazole(1)","27605-76-1(1)","4451","High Reliability"]
[338,"CC1(C)OC(=O)c2c1ccc(c2)N(=O)=O\nCC1(C)OC(=O)c2cc(ccc12)[N+]([O-])=O\n\n","O=C1OC(c2c1cc(cc2)[N+](=O)[O-])(C)C","O=C1OC(c2ccc(cc12)[N+](=O)[O-])(C)C","",1,"1(3H)-Isobenzofuranone, 3,3-dimethyl-6-nitro-(1)","99185-20-3(1)","5437","Medium Reliability"]
[339,"CCC1OC(=O)c2c1ccc(c2)N(=O)=O\nCCC1OC(=O)c2cc(ccc12)[N+]([O-])=O\n\n","CCC1OC(=O)c2c1ccc(c2)[N+](=O)[O-]","O=C1OC(c2ccc(cc12)[N+](=O)[O-])CC","",1,"Phthalide, 3-ethyl-6-nitro-(1)","99185-21-4(1)","5438","Medium Reliability"]
[340,"Nc1cc2cc(cc(c2cc1)S(O)(=O)=O)S(O)(=O)=O\nNc1ccc2c(c1)cc(cc2S(O)(=O)=O)S(O)(=O)=O\n\n","Nc1ccc2c(c1)cc(cc2S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)c2cc1cc(N)ccc1c(c2)S(=O)(=O)O","",1,"2-NAPHTHYLAMINE-5,7-DISULFONIC ACID(1)","118-33-2(1)","1318","High Reliability"]
[341,"Nc1cc2c(cc(cc2cc1)S(O)(=O)=O)S(O)(=O)=O\nNc1ccc2cc(cc(c2c1)S(O)(=O)=O)S(O)(=O)=O\n\n","Nc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)c2cc1ccc(N)cc1c(c2)S(=O)(=O)O","",1,"2-NAPHTHYLAMINE-6,8-DISULFONIC ACID(1)","86-65-7(1)","573","Medium Reliability"]
[342,"Nc1ccc(c2ccc(cc12)S(O)(=O)=O)S(O)(=O)=O\n\n\n","Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)c1ccc2c(c1)c(N)ccc2S(=O)(=O)O","",1,"1,6-NAPHTHALENEDISULFONIC ACID, 4-AMINO-(1)","85-75-6(1)","564","High Reliability"]
[343,"Nc1c(cc(c2c1cc(cc2)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O\nNc1c2cc(ccc2c(cc1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O\n\n","Nc1c2cc(ccc2c(cc1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)c1ccc2c(c1)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O","",1,"1,3,6-Naphthalenetrisulfonic acid, 4-amino-(1)","61986-93-4(1)","5012","Medium Reliability"]
[344,"OP(O)(=O)c1cccc2ccccc12\n\n\n","OP(=O)(c1cccc2c1cccc2)O","O=P(O)(O)c2cccc1ccccc12","",1,"Phosphonic acid, 1-naphthalenyl-(1)","7402-93-9(1)","3837","Medium Reliability","Checked on PubChem"]
[345,"Cc1c2ccccc2ccc1\nCc1cccc2ccccc12\n\n","Cc1cccc2c1cccc2","c1ccc2c(c1)cccc2C","",1,"1-METHYLNAPHTHALENE(1)","90-12-0(1)","650","High Reliability"]
[346,"Cc1cc2ccccc2cc1\nCc1ccc2ccccc2c1\n\n","Cc1ccc2c(c1)cccc2","c1ccc2cc(ccc2(c1))C","",1,"2-METHYLNAPHTHALENE(1)","91-57-6(1)","670","High Reliability"]
[347,"CC(OC(=O)Nc1cc(Cl)ccc1)C#C\n\n\n","C#CC(OC(=O)Nc1cccc(c1)Cl)C","O=C(OC(C#C)C)Nc1cccc(c1)Cl","",1,"CHLORBUFAM(1)","1967-16-4(1)","3052","High Reliability"]
[348,"CCOC(=O)Cn1c(=O)sc2cccc(Cl)c12\n\n\n","CCOC(=O)Cn1c(=O)sc2c1c(Cl)ccc2","O=C(OCC)CN2C(=O)Sc1cccc(c12)Cl","",1,"BENAZOLIN-ETHYL(1)","25059-80-7(1)","4376","High Reliability"]
[349,"Cc1c(Oc2cccnn2)cccc1\nCc1ccccc1Oc2cccnn2\n\n","Cc1ccccc1Oc1cccnn1","n2nc(Oc1ccccc1C)ccc2","",1,"3-(2-Methylphenoxy)pyridazine(1)","14491-59-9(1)","4037","High Reliability"]
[350,"COc1c2ccccc2ccc1\nCOc1cccc2ccccc12\n\n","COc1cccc2c1cccc2","O(c1cccc2ccccc12)C","",1,"NAPHTHALENE, 1-METHOXY-(1)","2216-69-5(1)","3132","High Reliability"]
[351,"OCc1cccc2ccccc12\n\n\n","OCc1cccc2c1cccc2","OCc2cccc1ccccc12","",1,"1-NAPHTHALENEMETHANOL(1)","4780-79-4(1)","3536","High Reliability"]
[352,"Cc1c(C)c(=O)c2ccccc2o1\n\n\n","Cc1oc2ccccc2c(=O)c1C","O=C1c2ccccc2(OC(=C1C)C)","",1,"4H-1-BENZOPYRAN-4-ONE, 2,3-DIMETHYL-(1)","17584-90-6(1)","4160","Medium Reliability"]
[353,"OC(=O)C1Cc2ccccc2C=C1\n\n\n","OC(=O)C1C=Cc2c(C1)cccc2","O=C(O)C2C=Cc1ccccc1C2","",1,"2-Naphthalenecarboxylic acid, 1,2-dihydro-(1)","3408-30-8(1)","3379","High Reliability","Checked on PubChem, Checked on ChemID"]
[354,"OC(=O)C1=CCCc2ccccc12\n\n\n","OC(=O)C1=CCCc2c1cccc2","O=C(O)C1=CCCc2ccccc12","",1,"1-Naphthalenecarboxylic acid, 3,4-dihydro-(1)","3333-23-1(1)","3369","Medium Reliability"]
[355,"CC(=O)Oc1ccccc1C=CC(O)=O\n\n\n","OC(=O)C=Cc1ccccc1OC(=O)C","O=C(O)C=Cc1ccccc1(OC(=O)C)","",1,"2-Propenoic acid, 3-[2-(acetyloxy)phenyl]-, (E)-(1)","16189-10-9(1)","4097","Medium Reliability","Stereochemistry removed"]
[356,"CC(O)=NC(Cc1cc(Br)c(O)c(Br)c1)C(O)=O\nCC(=O)NC(Cc1cc(Br)c(O)c(Br)c1)C(O)=O\n\n","OC(=O)C(N=C(O)C)Cc1cc(Br)c(c(c1)Br)O","O=C(O)C(N=C(O)C)Cc1cc(c(O)c(c1)Br)Br","",1,"L-Tyrosine, N-acetyl-3,5-dibromo-(1)","10346-50-6(1)","3912","Medium Reliability","Stereochemistry removed"]
[357,"CC1COc2c(cccc2)N1C(=O)C(Cl)Cl\nCC1COc2ccccc2N1C(=O)C(Cl)Cl\n\n","CC1COc2c(N1C(=O)C(Cl)Cl)cccc2","O=C(N1c2ccccc2(OCC1C))C(Cl)Cl","",1,"BENOXACOR(1)","98730-04-2(1)","5421","High Reliability"]
[358,"CC(O)=NC(CSc1cc(Cl)c(Cl)cc1)C(O)=O\nCC(=O)NC(CSc1ccc(Cl)c(Cl)c1)C(O)=O\n\n","OC(=O)C(N=C(O)C)CSc1ccc(c(c1)Cl)Cl","O=C(O)C(N=C(O)C)CSc1ccc(c(c1)Cl)Cl","",1,"L-Cysteine, N-acetyl-S-(3,4-dichlorophenyl)-(1)","13443-69-1(1)","3978","High Reliability","Stereochemistry removed"]
[359,"CCOC(=O)Cc1c2cc(Cl)ccc2n[nH]1\n\n\n","CCOC(=O)Cc1[nH]nc2c1cc(Cl)cc2","O=C(OCC)Cc2[nH]nc1ccc(cc12)Cl","",1,"Ethychlozate(1)","27512-72-7(1)","4447","High Reliability"]
[360,"Cn1n(c(=O)c(I)c1C)-c2ccccc2\n\n\n","Ic1c(C)n(n(c1=O)c1ccccc1)C","O=C2C(=C(N(N2(c1ccccc1))C)C)I","",1,"4-IODOANTIPYRINE(1)","129-81-7(1)","1493","High Reliability"]
[361,"Cc1ccc2ccc(C)nc2c1\n\n\n","Cc1ccc2c(c1)nc(cc2)C","n1c2cc(ccc2(ccc1C))C","",1,"Quinoline, 2,7-dimethyl-(1)","93-37-8(1)","703","High Reliability"]
[362,"Cc1cc(C)c2ccccc2n1\n\n\n","Cc1cc(C)c2c(n1)cccc2","n2c1ccccc1c(cc2C)C","",1,"2,4-DIMETHYLQUINOLINE(1)","1198-37-4(1)","2870","High Reliability"]
[363,"Cn1c2ccccc2c(C(O)=N)c1C(O)=N\n\n\n","OC(=N)c1c(C(=N)O)c2c(n1C)cccc2","N=C(O)c2c1ccccc1n(c2(C(=N)O))C","",1,"1H-Indole-2,3-dicarboxamide, 1-methyl-(1)","51072-90-3(1)","4796","Medium Reliability"]
[364,"Nc1ccc(cc1)S(=O)(=O)c2ncc(N)cc2\n\n\n","Nc1ccc(cc1)S(=O)(=O)c1ccc(cn1)N","O=S(=O)(c1ncc(N)cc1)c2ccc(N)cc2","",1,"3-Pyridinamine, 6-[(4-aminophenyl)sulfonyl]-(1)","5401-26-3(1)","3600","High Reliability"]
[365,"Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1","O=S(=O)(Nc1ncccc1)c2ccc(N)cc2","",1,"SULFAPYRIDINE(1)","144-83-2(1)","1605","High Reliability"]
[366,"O=C1CCc2c3N1CCc3ccc2\n\n\n","O=C1CCc2c3N1CCc3ccc2","O=C3N2c1c(cccc1CC2)CC3","",1,"PYROQUILON(1)","57369-32-1(1)","4945","High Reliability"]
[367,"CC(=O)Oc1ccccc1C(=O)OCC(O)=N\n\n\n","OC(=N)COC(=O)c1ccccc1OC(=O)C","O=C(OCC(=N)O)c1ccccc1(OC(=O)C)","",1,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-AMINO-2-OXOETHYL(1)","50785-22-3(1)","4790","Medium Reliability","Checked on PubChem"]
[368,"CC(C)OC(=O)c1c(cccc1N(=O)=O)C(O)=O\nCC(C)OC(=O)c1c(cccc1[N+]([O-])=O)C([O-])=O\n\n","CC(OC(=O)c1c(cccc1[N+](=O)[O-])C(=O)O)C","O=C(O)c1cccc(c1(C(=O)OC(C)C))[N+](=O)[O-]","",1,"Phthalic acid, 3-nitro-, 2-isopropyl ester(1)","6744-87-2(1)","3777","Medium Reliability"]
[369,"OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+]([O-])=O\n\n\n","OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl","O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)Cl","",1,"CHLORAMPHENICOL(1)","56-75-7(1)","106","High Reliability","Stereochemistry removed"]
[370,"CCCOC(=O)COc1ccc(Cl)cc1Cl\n\n\n","CCCOC(=O)COc1ccc(cc1Cl)Cl","O=C(OCCC)COc1ccc(cc1Cl)Cl","",1,"2,4-D, PROPYL ESTER(1)","1928-61-6(1)","3035","Medium Reliability"]
[371,"CC(C)OC(=O)COc1c(Cl)cc(Cl)cc1\n\n\n","CC(OC(=O)COc1ccc(cc1Cl)Cl)C","O=C(OC(C)C)COc1ccc(cc1Cl)Cl","",1,"2,4-D, ISOPROPYL ESTER(1)","94-11-1(1)","717","High Reliability"]
[372,"CN1C(c2ccc(Cl)cc2)S(=O)(=O)CCC1=O\n\n\n","CN1C(=O)CCS(=O)(=O)C1c1ccc(cc1)Cl","O=C2N(C)C(c1ccc(cc1)Cl)S(=O)(=O)CC2","",1,"Chlormezanone(1)","80-77-3(1)","502","High Reliability"]
[373,"CC(=O)NC(CSc1ccc(Cl)cc1)C(O)=O\n\n\n","OC(=O)C(NC(=O)C)CSc1ccc(cc1)Cl","O=C(O)C(NC(=O)C)CSc1ccc(cc1)Cl","",1,"L-cystein, N-acetyl-S-(4-chlorophenyl)-(1)","21462-48-6(1)","4294","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[374,"CCC(Cc1c(I)cc(I)c(N)c1I)C(O)=O\n\n\n","CCC(C(=O)O)Cc1c(I)cc(c(c1I)N)I","O=C(O)C(Cc1c(cc(c(N)c1I)I)I)CC","",1,"Iopanoic acid(1)","96-83-3(1)","785","High Reliability"]
[375,"CCCc1c2cccc(O)c2ncn1\nCCCc1ncnc2c(O)cccc12\n\n","CCCc1ncnc2c1cccc2O","Oc2cccc1c2(ncnc1CCC)","",1,"8-Quinazolinol, 4-propyl-(1)","100060-07-9(1)","5446","Medium Reliability"]
[376,"Cn1n(c(=O)cc1C)-c2ccccc2\n\n\n","O=c1cc(n(n1c1ccccc1)C)C","O=C1C=C(N(N1c2ccccc2)C)C","",1,"ANTIPYRINE(1)","60-80-0(1)","193","High Reliability"]
[377,"CCC1(N=C(O)N=C1O)c2ccccc2\nCCC1(NC(=O)NC1=O)c2ccccc2\n\n","CCC1(N=C(N=C1O)O)c1ccccc1","OC=1N=C(O)C(N=1)(c2ccccc2)CC","",1,"2,4-IMIDAZOLIDINEDIONE, 5-ETHYL-5-PHENYL-(1)","631-07-2(1)","2574","High Reliability"]
[378,"NC(Cc1c[nH]c2ccccc12)C(O)=O\n\n\n","OC(=O)C(Cc1c[nH]c2c1cccc2)N","O=C(O)C(N)Cc2c[nH]c1ccccc12","",1,"TRYPTOPHAN(1)","73-22-3(1)","299","High Reliability","Stereochemistry removed"]
[379,"NC(Cc1c[nH]c2ccc(O)cc12)C(O)=O\n\n\n","OC(=O)C(Cc1c[nH]c2c1cc(O)cc2)N","O=C(O)C(N)Cc2c[nH]c1ccc(O)cc12","",1,"TRYPTOPHAN, 5-HYDROXY-(1)","56-69-9(1)","104","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[380,"Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1\n\n\n","Cc1cnc(nc1)NS(=O)(=O)c1ccc(cc1)N","O=S(=O)(Nc1ncc(cn1)C)c2ccc(N)cc2","",1,"SULFAPERINE(1)","599-88-2(1)","2359","High Reliability"]
[381,"Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1nccc(n1)C","O=S(=O)(Nc1nccc(n1)C)c2ccc(N)cc2","",1,"SULFAMERAZINE(1)","127-79-7(1)","1481","High Reliability"]
[382,"COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1\n\n\n","COc1ccc(nn1)NS(=O)(=O)c1ccc(cc1)N","O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2","",1,"SULFAMETHOXYPYRIDAZINE(1)","80-35-3(1)","491","High Reliability"]
[383,"COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1\n\n\n","COc1cnc(nc1)NS(=O)(=O)c1ccc(cc1)N","O=S(=O)(Nc1ncc(OC)cn1)c2ccc(N)cc2","",1,"SULFAMETER(1)","651-06-9(1)","2619","High Reliability"]
[384,"COP(=S)(OC)SCN1C(=O)c2c(cccc2)C1=O\nCOP(=S)(OC)SCN1C(=O)c2ccccc2C1=O\n\n","COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC","O=C1c2ccccc2(C(=O)N1CSP(OC)(OC)=S)","",1,"PHOSMET(1)","732-11-6(1)","2662","High Reliability"]
[385,"CCOC(=O)C=Cc1ccccc1\n\n\n","CCOC(=O)C=Cc1ccccc1","O=C(OCC)C=Cc1ccccc1","",1,"CINNAMIC ACID, ETHYL ESTER(1)","103-36-6(1)","931","High Reliability","Stereochemistry removed"]
[386,"CCOc1ccccc1C=CC([O-])=O\nCCOc1ccccc1C=CC(O)=O\n\n","CCOc1ccccc1C=CC(=O)O","O=C(O)C=Cc1ccccc1(OCC)","",1,"2-Propenoic acid, 3-(2-ethoxyphenyl)-, (E)-(1)","59923-03-4(1)","4977","Medium Reliability","Stereochemistry removed"]
[387,"COc1c(OC(C)=O)ccc(CC(O)=O)c1\n\n\n","COc1cc(ccc1OC(=O)C)CC(=O)O","O=C(O)Cc1ccc(OC(=O)C)c(OC)c1","",1,"Benzeneacetic acid, 4-(acetyloxy)-3-methoxy-(1)","5447-38-1(1)","3614","High Reliability"]
[388,"CC1(C)OC(CN1C(=O)C(Cl)Cl)c2ccco2\n\n\n","O=C(N1CC(OC1(C)C)c1ccco1)C(Cl)Cl","O=C(N1CC(OC1(C)C)c2occc2)C(Cl)Cl","",1,"Furilazole(1)","121776-33-8(1)","5642","Medium Reliability"]
[389,"CCSC(=O)COc1c(C)cc(Cl)cc1\n\n\n","CCSC(=O)COc1ccc(cc1C)Cl","O=C(COc1ccc(cc1C)Cl)SCC","",1,"MCPA-thioethyl(1)","25319-90-8(1)","4390","High Reliability"]
[390,"Cc1c(OCCCC(O)=O)ccc(Cl)c1\n\n\n","OC(=O)CCCOc1ccc(cc1C)Cl","O=C(O)CCCOc1ccc(cc1C)Cl","",1,"MCPB(1)","94-81-5(1)","733","High Reliability"]
[391,"CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C\n\n\n","CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(cc1C)C","O=C(Nc1cc(NS(=O)(=O)C(F)(F)F)c(cc1C)C)C","",1,"MEFLUIDIDE(1)","53780-34-0(1)","4877","High Reliability"]
[392,"CCN(CC)c1c(cc(c(N)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O\n\n\n","CCN(c1c(cc(c(c1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-])CC","O=[N+]([O-])c1cc(c(N)c(c1N(CC)CC)[N+](=O)[O-])C(F)(F)F","",1,"DINITRAMINE(1)","29091-05-2(1)","4472","High Reliability"]
[393,"CCCCOC(=O)c1cc(I)c(O)cc1\n\n\n","CCCCOC(=O)c1ccc(c(c1)I)O","O=C(OCCCC)c1ccc(O)c(c1)I","",1,"Benzoic acid, 4-hydroxy-3-iodo-, butyl ester(1)","15126-09-7(1)","4059","Medium Reliability"]
[394,"Cc1nn(c(N)c1C)-c2ccccc2\n\n\n","Cc1nn(c(c1C)N)c1ccccc1","n1c(c(c(N)n1c2ccccc2)C)C","",1,"1H-Pyrazol-5-amine, 3,4-dimethyl-1-phenyl-(1)","51143-42-1(1)","4801","Medium Reliability"]
[395,"Cn1n(c(=O)c(N)c1C)-c2ccccc2\n\n\n","Nc1c(C)n(n(c1=O)c1ccccc1)C","O=C1C(N)=C(N(N1c2ccccc2)C)C","",1,"Ampyrone(1)","83-07-8(1)","519","Medium Reliability"]
[396,"Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C","O=S(=O)(Nc1onc(c1C)C)c2ccc(N)cc2","",1,"SULFISOXAZOLE(1)","127-69-5(1)","1476","High Reliability"]
[397,"Cc1c(C)nc(NS(=O)(=O)c2ccc(N)cc2)o1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1oc(c(n1)C)C","O=S(=O)(Nc1nc(c(o1)C)C)c2ccc(N)cc2","",1,"Sulfamoxole(1)","729-99-7(1)","2660","High Reliability"]
[398,"OCC(NC(=O)CN=[N+]=[N-])C(O)c1ccc(cc1)[N+]([O-])=O\n\n\n","OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)CN=[N+]=[N-]","[N-]=[N+]=NCC(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-]","",1,"Azidamfenicol(1)","13838-08-9(1)","3999","Medium Reliability","Stereochemistry removed"]
[399,"CC1CCC(=O)N1c2ccccc2\n\n\n","CC1CCC(=O)N1c1ccccc1","O=C2N(c1ccccc1)C(C)CC2","",1,"2-Pyrrolidinone, 5-methyl-1-phenyl-(1)","6724-71-6(1)","3773","High Reliability"]
[400,"CN(C)C(=O)COC(=O)c1ccccc1\n\n\n","CN(C(=O)COC(=O)c1ccccc1)C","O=C(OCC(=O)N(C)C)c1ccccc1","",1,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-DIMETHYL-(1)","106231-54-3(1)","5506","Medium Reliability"]
[401,"CCNC(=O)COC(=O)c1ccccc1\n\n\n","CCNC(=O)COC(=O)c1ccccc1","O=C(OCC(=O)NCC)c1ccccc1","",1,"ACETAMIDE, 2-(BENZOYLOXY)-N-ETHYL-(1)","64649-57-6(1)","5042","Medium Reliability"]
[402,"OC(=O)CCCNC(=O)c1ccccc1\n\n\n","O=C(c1ccccc1)NCCCC(=O)O","O=C(O)CCCNC(=O)c1ccccc1","",1,"Butanoic acid, 4-(benzoylamino)-(1)","35340-63-7(1)","4610","High Reliability"]
[403,"Oc1ccccc1C(=O)N2CCOCC2\n\n\n","Oc1ccccc1C(=O)N1CCOCC1","O=C(c1ccccc1(O))N2CCOCC2","",1,"MORPHOLINE, 4-(2-HYDROXYBENZOYL)-(1)","3202-84-4(1)","3348","Medium Reliability"]
[404,"CNC(=O)Oc1cccc2c1OC(C)(C)O2\n\n\n","CNC(=O)Oc1cccc2c1OC(O2)(C)C","O=C(Oc1cccc2OC(Oc12)(C)C)NC","",1,"BENDIOCARB(1)","22781-23-3(1)","4327","High Reliability"]
[405,"CN(C)C(=O)COC(=O)c1ccccc1O\n\n\n","O=C(N(C)C)COC(=O)c1ccccc1O","O=C(OCC(=O)N(C)C)c1ccccc1(O)","",1,"BENZOIC ACID, 2-HYDROXY-, 2-(DIMETHYLAMINO)-2-OX(1)","114665-08-6(1)","5582","Medium Reliability","Checked on PubChem"]
[406,"CNC(=O)Oc1c(cccc1)C2OCCO2\nCNC(=O)Oc1ccccc1C2OCCO2\n\n","CNC(=O)Oc1ccccc1C1OCCO1","O=C(Oc1ccccc1C2OCCO2)NC","",1,"DIOXACARB(1)","6988-21-2(1)","3805","High Reliability"]
[407,"CCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O\n\n\n","CCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","O=C(Oc1ccc(cc1)[N+](=O)[O-])CCCC","",1,"Pentanoic acid, 4-nitrophenyl ester(1)","1956-07-6(1)","3047","Medium Reliability"]
[408,"CC(C)CC(=O)Oc1ccc(cc1)N(=O)=O\nCC(C)CC(=O)Oc1ccc(cc1)[N+]([O-])=O\n\n","CC(CC(=O)Oc1ccc(cc1)[N+](=O)[O-])C","O=C(Oc1ccc(cc1)[N+](=O)[O-])CC(C)C","",1,"Butanoic acid, 3-methyl-, 4-nitrophenyl ester(1)","18934-77-5(1)","4213","Medium Reliability"]
[409,"CC(C)N(C(=O)CCl)c1ccccc1\n\n\n","ClCC(=O)N(c1ccccc1)C(C)C","O=C(N(c1ccccc1)C(C)C)CCl","",1,"PROPACHLOR(1)","1918-16-7(1)","3029","High Reliability"]
[410,"CNC(=O)Oc1c(OC(CCl)OC)cccc1\n\n\n","CNC(=O)Oc1ccccc1OC(CCl)OC","O=C(Oc1ccccc1(OC(OC)CCl))NC","",1,"Cloethocarb(1)","51487-69-5(1)","4814","High Reliability"]
[411,"O=c1cccc2C3CNCC(C3)Cn12\n\n\n","O=c1cccc2n1CC1CNCC2C1","O=C1C=CC=C2N1CC3CNCC2C3","",1,"CYTISINE(1)","485-35-8(1)","1859","Medium Reliability","Stereochemistry removed"]
[412,"CC(C)(N=C(O)c1ccccc1)C(O)=N\nCC(C)(NC(=O)c1ccccc1)C(N)=O\n\n","OC(=NC(C(=N)O)(C)C)c1ccccc1","N=C(O)C(N=C(O)c1ccccc1)(C)C","",1,"Benzamide, N-(2-amino-1,1-dimethyl-2-oxoethyl)-(1)","54016-23-8(1)","4886","High Reliability"]
[413,"CC(=O)NC(NC(C)=O)c1ccccc1\n\n\n","CC(=O)NC(c1ccccc1)NC(=O)C","O=C(NC(NC(=O)C)c1ccccc1)C","",1,"Acetamide, N,N'-(phenylmethylene)bis-(1)","6907-68-2(1)","3794","High Reliability"]
[414,"CC(C)(C)C(=O)OCn1ncc2c1ncnc2O\n\n\n","O=C(C(C)(C)C)OCn1ncc2c1ncnc2O","O=C(OCn2ncc1c(O)ncnc12)C(C)(C)C","",1,"ALLOPURINOL,1-[PIVALOYLOXYMETHYL]-(1)","98827-18-0(1)","5425","Medium Reliability","Checked on PubChem"]
[415,"Nc1ncnc2n(ccc12)C3OC(CO)C(O)C3O\n\n\n","OCC1OC(C(C1O)O)n1ccc2c1ncnc2N","OCC3OC(n2ccc1c(ncnc12)N)C(O)C3(O)","",1,"TUBERCIDIN(1)","69-33-0(1)","266","High Reliability","Checked on PubChem, Checked on ChemID"]
[416,"CC(C)(C)c1ccc(cc1)C(O)=O\n\n\n","OC(=O)c1ccc(cc1)C(C)(C)C","O=C(O)c1ccc(cc1)C(C)(C)C","",1,"BENZOIC ACID, 4-(TERT-BUTYL)-(1)","98-73-7(1)","822","High Reliability"]
[417,"CCOC(=O)CCc1ccccc1\n\n\n","CCOC(=O)CCc1ccccc1","O=C(OCC)CCc1ccccc1","",1,"ETHYL B-PHENYLPROPIONATE(1)","2021-28-5(1)","3068","Medium Reliability"]
[418,"CCCCOC(=O)c1ccccc1\n\n\n","CCCCOC(=O)c1ccccc1","O=C(OCCCC)c1ccccc1","",1,"BUTYL BENZOATE(1)","136-60-7(1)","1528","High Reliability"]
[419,"COc1ccc(CC=C)cc1OC\n\n\n","C=CCc1ccc(c(c1)OC)OC","O(c1ccc(cc1(OC))CC=C)C","",1,"METHYLEUGENOL(1)","93-15-2(1)","702","High Reliability"]
[420,"OC(=O)CCCCc1ccccc1\n\n\n","OC(=O)CCCCc1ccccc1","O=C(O)CCCCc1ccccc1","",1,"5-PHENYLPENTANOIC ACID(1)","2270-20-4(1)","3150","High Reliability"]
[421,"CCCCOC(=O)c1ccc(O)cc1\n\n\n","CCCCOC(=O)c1ccc(cc1)O","O=C(OCCCC)c1ccc(O)cc1","",1,"p-hydroxybutylbenzoate(1)","94-26-8(1)","725","Medium Reliability","Name verified in PubChem"]
[422,"CC(C)c1c(O)c(C(O)=O)c(C)cc1\nCC(C)c1ccc(C)c(C(O)=O)c1O\n\n","CC(c1ccc(c(c1O)C(=O)O)C)C","O=C(O)c1c(O)c(ccc1C)C(C)C","",1,"o-Thymotic acid(1)","548-51-6(1)","2119","High Reliability"]
[423,"COC(=O)C1C2CC(C=C2)C1C(=O)OC\n\n\n","COC(=O)C1C2C=CC(C1C(=O)OC)C2","O=C(OC)C2C1C=CC(C1)C2(C(=O)OC)","",1,"DIMALONE(1)","39589-98-5(1)","4717","Medium Reliability","Stereochemistry removed"]
[424,"CCCSP(=O)(OCC)Oc1c(Cl)cc(Br)cc1\n\n\n","CCCSP(=O)(Oc1ccc(cc1Cl)Br)OCC","O=P(Oc1ccc(cc1Cl)Br)(OCC)SCCC","",1,"PROFENOFOS(1)","41198-08-7(1)","4738","High Reliability"]
[425,"CCCSP(=S)(OCC)Oc1c(Cl)cc(Cl)cc1\n\n\n","CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC","O(c1ccc(cc1Cl)Cl)P(OCC)(=S)SCCC","",1,"PROTHIOPHOS(1)","34643-46-4(1)","4593","High Reliability"]
[426,"CCN(Cc1ccc(Cl)nc1)C(NC)=C[N+]([O-])=O\n\n\n","CCN(C(=C[N+](=O)[O-])NC)Cc1ccc(nc1)Cl","O=[N+]([O-])C=C(NC)N(Cc1cnc(cc1)Cl)CC","",1,"NITENPYRAM(1)","120738-89-8(1)","5638","Medium Reliability","Stereochemistry removed"]
[427,"CNC(=O)Oc1cccc(c1)N=CN(C)C\n[H+].[Cl-].CNC(=O)Oc1cccc(c1)N=CN(C)C\nCl.CNC(=O)Oc1cccc(c1)N=CN(C)C\n[H+].[Cl-].CNC(=O)Oc1cccc(c1)N=CN(C)C","CNC(=O)Oc1cccc(c1)N=CN(C)C","O=C(Oc1cccc(N=CN(C)C)c1)NC","",2,"FORMETANATE(1), FORMETANATE HYDROCHLORIDE(1)","22259-30-9(1), 23422-53-9(1)","4316, 4341","High Reliability","Differences in counterions"]
[428,"OC(=O)CCC(N(CCC#N)CCC#N)C(O)=O\n\n\n","N#CCCN(C(C(=O)O)CCC(=O)O)CCC#N","N#CCCN(CCC#N)C(C(=O)O)CCC(=O)O","",1,"L-Glutamic acid, N,N-bis(2-cyanoethyl)-(1)","5464-39-1(1)","3621","High Reliability","Stereochemistry removed"]
[429,"Nc1c2ncn(c2ncn1)C3(CO)OC(CO)C(O)C3O\nNc1ncnc2n(cnc12)C3(CO)OC(CO)C(O)C3O\n\n","OCC1OC(C(C1O)O)(CO)n1cnc2c1ncnc2N","OCC3OC(n2cnc1c(ncnc12)N)(CO)C(O)C3(O)","",1,"PSICOFURANINE(1)","1874-54-0(1)","3008","High Reliability","Stereochemistry removed"]
[430,"CCCCCOC(=O)c1cnccc1\n\n\n","CCCCCOC(=O)c1cccnc1","O=C(OCCCCC)c1cnccc1","",1,"3-Pyridinecarboxylic acid, pentyl ester(1)","49558-04-5(1)","4774","High Reliability"]
[431,"CCCOc1ccc(NC(C)=O)cc1\n\n\n","CCCOc1ccc(cc1)NC(=O)C","O=C(Nc1ccc(OCCC)cc1)C","",1,"Acetamide, N-(4-propoxyphenyl)-(1)","20367-32-2(1)","4259","High Reliability"]
[432,"CCOc1ccc(N=C(C)O)c(C)c1\nCCOc1ccc(NC(C)=O)c(C)c1\n\n","CCOc1ccc(c(c1)C)N=C(O)C","OC(=Nc1ccc(OCC)cc1C)C","",1,"Acetamide, N-(4-ethoxy-2-methylphenyl)-(1)","41570-59-6(1)","4753","Medium Reliability"]
[433,"CNC(=O)Oc1cc(C)cc(C)c1C\n\n\n","CNC(=O)Oc1cc(C)cc(c1C)C","O=C(Oc1cc(cc(c1C)C)C)NC","",1,"Landrin(1)","12407-86-2(1)","3941","High Reliability","Checked on PubChem, Checked on ChemID"]
[434,"CC(C)COC(=O)c1ccc(N)cc1\n\n\n","CC(COC(=O)c1ccc(cc1)N)C","O=C(OCC(C)C)c1ccc(N)cc1","",1,"Benzoic acid, 4-amino-, 2-methylpropyl ester(1)","94-14-4(1)","720","High Reliability"]
[435,"CNC(=O)Oc1c(cccc1)C(C)C\nCNC(=O)Oc1ccccc1C(C)C\n\n","CNC(=O)Oc1ccccc1C(C)C","O=C(Oc1ccccc1C(C)C)NC","",1,"ISOPROCARB(1)","2631-40-5(1)","3261","High Reliability"]
[436,"CCSCc1c(OC(=O)NC)cccc1\n\n\n","CCSCc1ccccc1OC(=O)NC","O=C(Oc1ccccc1CSCC)NC","",1,"ETHIOFENCARB(1)","29973-13-5(1)","4496","High Reliability"]
[437,"CNC(=O)Oc1cc(C)c(SC)c(C)c1\n\n\n","CNC(=O)Oc1cc(C)c(c(c1)C)SC","O=C(Oc1cc(c(c(c1)C)SC)C)NC","",1,"METHIOCARB(1)","2032-65-7(1)","3071","High Reliability"]
[438,"O=S(=O)(N1CCCCC1)c2ccccc2\n\n\n","O=S(=O)(c1ccccc1)N1CCCCC1","O=S(=O)(c1ccccc1)N2CCCCC2","",1,"Piperidine, 1-(phenylsulfonyl)-(1)","5033-23-8(1)","3558","High Reliability"]
[439,"CCC(O)(COC(N)=O)c1ccccc1\n\n\n","CCC(c1ccccc1)(COC(=O)N)O","O=C(OCC(O)(c1ccccc1)CC)N","",1,"HYDROXYPHENAMATE(1)","50-19-1(1)","9","High Reliability","Checked on PubChem, Checked on ChemID"]
[440,"CNC(=O)Oc1ccccc1OC(C)C\n\n\n","CNC(=O)Oc1ccccc1OC(C)C","O=C(Oc1ccccc1(OC(C)C))NC","",1,"PROPOXUR(1)","114-26-1(1)","1269","Medium Reliability"]
[441,"CCCCCc1ccccc1\n\n\n","CCCCCc1ccccc1","c1ccc(cc1)CCCCC","",1,"PENTYLBENZENE(1)","538-68-1(1)","2053","High Reliability"]
[442,"CCC(C)(C)c1ccccc1\n\n\n","CCC(c1ccccc1)(C)C","c1ccc(cc1)C(C)(C)CC","",1,"Benzene, (1,1-dimethylpropyl)-(1)","2049-95-8(1)","3075","High Reliability"]
[443,"Cc1cc(C)c(C)c(C)c1C\n\n\n","Cc1cc(C)c(c(c1C)C)C","c1c(c(c(c(c1C)C)C)C)C","",1,"PENTAMETHYLBENZENE(1)","700-12-9(1)","2646","High Reliability"]
[444,"CCOP(=S)(OCC)SCSc1ccc(Cl)cc1\n\n\n","CCOP(=S)(OCC)SCSc1ccc(cc1)Cl","O(CC)P(OCC)(=S)SCSc1ccc(cc1)Cl","",1,"CARBOPHENTHION(1)","786-19-6(1)","2689","Medium Reliability"]
[445,"CCCCN(C(O)=N)c1ccccc1\n\n\n","CCCCN(c1ccccc1)C(=N)O","N=C(O)N(c1ccccc1)CCCC","",1,"Urea, N-butyl-N-phenyl(1)","62641-29-6(1)","5016","Medium Reliability"]
[446,"CNC(=O)Oc1cc(C)c(cc1)N(C)C\nCNC(=O)Oc1ccc(N(C)C)c(C)c1\n\n","CNC(=O)Oc1ccc(c(c1)C)N(C)C","O=C(Oc1ccc(c(c1)C)N(C)C)NC","",1,"AMINOCARB(1)","2032-59-9(1)","3070","High Reliability"]
[447,"CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O\n\n\n","C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC=C)CC(C)C","",1,"Butalbital(1)","77-26-9(1)","413","High Reliability"]
[448,"CCCCNC(=O)NS(=O)(=O)c1ccccc1\n\n\n","CCCCNC(=O)NS(=O)(=O)c1ccccc1","O=C(NCCCC)NS(=O)(=O)c1ccccc1","",1,"Phenbutamide(1)","3149-00-6(1)","3339","High Reliability"]
[449,"CCCCn1c(=O)n(C)c2c(n(C)cn2)c1=O\n\n\n","CCCCn1c(=O)c2n(C)cnc2n(c1=O)C","O=C2c1c(ncn1C)N(C(=O)N2CCCC)C","",1,"1-Butyl Theobromine(1)","1143-30-2(1)","2853","Medium Reliability"]
[450,"CCCCCN(N=Cc1ccc(o1)N(=O)=O)C(O)=N\nCCCCCN(N=Cc1oc(cc1)[N+]([O-])=O)C(N)=O\n\n","[O-][N+](=O)c1ccc(o1)C=NN(C(=N)O)CCCCC","O=[N+]([O-])c1oc(C=NN(C(=N)O)CCCCC)cc1","",1,"2-Furaldehyde, 5-nitro-, 2-pentylsemicarbazone(1)","20049-93-8(1)","4248","Medium Reliability"]
[451,"CCC(C)(C)c1ccc(O)cc1\n\n\n","CCC(c1ccc(cc1)O)(C)C","Oc1ccc(cc1)C(C)(C)CC","",1,"P-TERT-AMYLPHENOL(1)","80-46-6(1)","493","High Reliability"]
[452,"CC(C)c1ccc(CCO)cc1\n\n\n","OCCc1ccc(cc1)C(C)C","OCCc1ccc(cc1)C(C)C","",1,"Benzeneethanol, 4-(1-methylethyl)-(1)","10099-57-7(1)","3900","High Reliability"]
[453,"CCCCCc1c(O)cc(O)cc1\n\n\n","CCCCCc1ccc(cc1O)O","Oc1ccc(c(O)c1)CCCCC","",1,"1,3-Benzenediol, 4-pentyl-(1)","533-24-4(1)","2025","High Reliability"]
[454,"CCC(C)(O)C(O)c1ccccc1\n\n\n","CCC(C(c1ccccc1)O)(O)C","OC(c1ccccc1)C(O)(C)CC","",1,"1,2-Butanediol, 2-methyl-1-phenyl-(1)","19757-53-0(1)","4236","Medium Reliability"]
[455,"CSCCC(N(CCC#N)CCC#N)C(O)=O\n\n\n","CSCCC(N(CCC#N)CCC#N)C(=O)O","N#CCCN(CCC#N)C(C(=O)O)CCSC","",1,"DL-Methionine, N,N-bis(2-cyanoethyl)-(1)","5464-40-4(1)","3622","Medium Reliability","Checked on PubChem"]
[456,"CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1\n\n\n","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N","O=C(NCCCC)NS(=O)(=O)c1ccc(N)cc1","",1,"CARBUTAMIDE(1)","339-43-5(1)","1744","High Reliability"]
[457,"CN(CCO)c1nc2c(n1C)c(=O)n(C)c(=O)n2C\n\n\n","OCCN(c1nc2c(n1C)c(=O)n(c(=O)n2C)C)C","O=C2c1c(nc(n1C)N(C)CCO)N(C(=O)N2C)C","",1,"Cafaminol(1)","30924-31-3(1)","4516","High Reliability"]
[458,"Cc1ccc(cc1)N(CCO)CCO\n\n\n","OCCN(c1ccc(cc1)C)CCO","OCCN(c1ccc(cc1)C)CCO","",1,"ETHANOL, 2,2'- (4-METHYLPHENYL)IMINO BIS-(1)","3077-12-1(1)","3326","Medium Reliability"]
[459,"CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1\n\n\n","O=C1C=C(OC(=O)N(C)C)CC(C1)(C)C","O=C(OC1=CC(=O)CC(C)(C)C1)N(C)C","",1,"DIMETAN(1)","122-15-6(1)","1388","High Reliability"]
[460,"NS(=O)(=O)c1ccc(SCCCCCO)cc1\n\n\n","OCCCCCSc1ccc(cc1)S(=O)(=O)N","O=S(=O)(N)c1ccc(cc1)SCCCCCO","",1,"BENZENESULFONAMIDE, 4-[(5-HYDROXYPENTYL)THIO]-(1)","108966-54-7(1)","5538","Medium Reliability"]
[461,"CCOP(=O)(OCC)SCc1ccccc1\n\n\n","CCOP(=O)(OCC)SCc1ccccc1","O=P(OCC)(OCC)SCc1ccccc1","",1,"Kitazine(1)","13286-32-3(1)","3966","Medium Reliability"]
[462,"CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O\n\n\n","CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC","O=S(c1ccc(OP(OCC)(OCC)=S)cc1)C","",1,"FENSULFOTHION(1)","115-90-2(1)","1292","High Reliability"]
[463,"CCOP(=S)(OCC)Oc1ccc(cc1)S(C)(=O)=O\n\n\n","CCOP(=S)(Oc1ccc(cc1)S(=O)(=O)C)OCC","O=S(=O)(c1ccc(OP(OCC)(OCC)=S)cc1)C","",1,"FENSULFOTHION SULFONE(1)","14255-72-2(1)","4021","High Reliability"]
[464,"CCC1(CCC(C)C)C(=O)NC(=O)NC1=O\n\n\n","CCC1(CCC(C)C)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC)CCC(C)C","",1,"AMOBARBITAL(1)","57-43-2(1)","126","High Reliability"]
[465,"CCCC(C)C1(CC)C(=O)NC(O)=NC1=O\nCCCC(C)C1(CC)C(=O)NC(=O)NC1=O\n\n","CCCC(C1(CC)C(=O)NC(=NC1=O)O)C","O=C1N=C(O)NC(=O)C1(CC)C(C)CCC","",1,"PENTOBARBITAL(1)","76-74-4(1)","402","High Reliability"]
[466,"CN(C)C(=O)Oc1c(C)c(C)nc(n1)N(C)C\nCN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C\n\n","CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C","O=C(Oc1nc(nc(c1C)C)N(C)C)N(C)C","",1,"PIRIMICARB(1)","23103-98-2(1)","4336","High Reliability"]
[467,"[H]C12CCC(C)(C(=O)C1CO)C2(C)C\nCC1(C)C2CCC1(C)C(=O)C2CO\n\n","OCC1C(=O)C2(C(C1CC2)(C)C)C","O=C1C(CO)C2CCC1(C)C2(C)(C)","",1,"2-Bornanone, 3-(hydroxymethyl)-(1)","20618-41-1(1)","4262","Medium Reliability"]
[468,"CCCCc1c(O)nc(nc1C)N(C)C\nCCCCc1c(C)[nH]c(nc1=O)N(C)C\n\n","CCCCc1c(C)nc(nc1O)N(C)C","Oc1nc(nc(c1CCCC)C)N(C)C","",1,"Dimethirimol(1)","5221-53-4(1)","3575","High Reliability"]
[469,"CC1(CCN2CCCCC2)N=C(O)N=C1O\nCC1(CCN2CCCCC2)NC(=O)NC1=O\n\n","OC1=NC(C(=N1)O)(C)CCN1CCCCC1","OC=1N=C(O)C(N=1)(C)CCN2CCCCC2","",1,"Hydantoin, 5-methyl-5-(2-piperidinoethyl)-(1)","16705-27-4(1)","4110","Medium Reliability"]
[470,"CC1(C)C2CCC1(C)C(N)(C2)C(O)=O\n\n\n","OC(=O)C1(N)CC2C(C1(C)CC2)(C)C","O=C(O)C1(N)(CC2CCC1(C)C2(C)(C))","",1,"2-Bornanecarboxylic acid, 2-amino-(1)","6266-05-3(1)","3723","High Reliability"]
[471,"CCCCCCN1CC(CC1=O)C(O)=O\n\n\n","CCCCCCN1CC(CC1=O)C(=O)O","O=C(O)C1CC(=O)N(CCCCCC)C1","",1,"1-HEXYL-4-CARBOXY-2-PYRROLIDONE(1)","116167-27-2(1)","5602","High Reliability","Checked on PubChem, Checked on ChemID"]
[472,"CCCCCCCCn1sccc1=O\n\n\n","CCCCCCCCn1sccc1=O","O=C1C=CSN1CCCCCCCC","",1,"3(2H)-ISOTHIAZOLONE, 2-OCTYL-(1)","26530-20-1(1)","4422","High Reliability"]
[473,"CCN(CC)c1nc(nc(Cl)n1)N(CC)CC\n\n\n","CCN(c1nc(nc(n1)Cl)N(CC)CC)CC","n1c(nc(nc1N(CC)CC)Cl)N(CC)CC","",1,"CHLORAZINE(1)","580-48-3(1)","2228","High Reliability"]
[474,"CCC(C)(C)C1CCC(=NO)C(C1)=NO\n\n\n","CCC(C1CCC(=NO)C(=NO)C1)(C)C","ON=C1C(=NO)CC(CC1)C(C)(C)CC","",1,"1,2-Cyclohexanedione, 4-tert-pentyl-, dioxime(1)","99991-56-7(1)","5444","Medium Reliability"]
[475,"CC(C)CC(N)C(O)=NC(CCC(O)=O)C(O)=O\nCC(C)CC(N)C(=O)NC(CCC(O)=O)C(O)=O\n\n","CC(CC(C(=NC(C(=O)O)CCC(=O)O)O)N)C","O=C(O)CCC(N=C(O)C(N)CC(C)C)C(=O)O","",1,"L-Glutamic acid, N-L-leucyl-(1)","16364-31-1(1)","4101","Medium Reliability","Stereochemistry removed"]
[476,"CCN(CC)c1nc(OP(=S)(OC)OC)cc(C)n1\nCCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1\n\n","CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC","n1c(OP(OC)(OC)=S)cc(nc1N(CC)CC)C","",1,"PIRIMIPHOS-METHYL(1)","29232-93-7(1)","4478","High Reliability"]
[477,"OC(=O)CCCCCCCCC=C\n\n\n","C=CCCCCCCCCC(=O)O","O=C(O)CCCCCCCCC=C","",1,"UNDECYLENIC ACID(1)","112-38-9(1)","1253","High Reliability"]
[478,"CCC1CCC2(CCC(CC)O2)O1\n\n\n","CCC1CCC2(O1)CCC(O2)CC","O1C(CC)CCC12(OC(CC)CC2)","",1,"1,6-DIOXASPIRO[4,4]NONANE, 2,7-DIETHYL-(1)","73727-45-4(1)","5185","Medium Reliability","Checked on PubChem"]
[479,"CCCCC(CC)COC(=O)C=C\n\n\n","CCCCC(COC(=O)C=C)CC","O=C(OCC(CC)CCCC)C=C","",1,"2-ETHYLHEXYL ACRYLATE(1)","103-11-7(1)","926","High Reliability"]
[480,"CCCCCCCCC(C(O)=O)C(O)=O\n\n\n","CCCCCCCCC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)CCCCCCCC","",1,"OCTYLMALONIC ACID(1)","760-55-4(1)","2674","Medium Reliability"]
[481,"CCC(=O)OCCCCCOC(=O)CC\nCCC(O)=O.CCC(O)=O.OCCCCCO\n\n","CCC(=O)OCCCCCOC(=O)CC","O=C(OCCCCCOC(=O)CC)CC","",1,"1,5-pentanediol,dipropanoate(1)","10025-09-9(1)","3895","High Reliability","Name verified in PubChem"]
[482,"CCOC(=O)CCCCCC(=O)OCC\n\n\n","CCOC(=O)CCCCCC(=O)OCC","O=C(OCC)CCCCCC(=O)OCC","",1,"DIETHYL PIMELATE(1)","2050-20-6(1)","3076","High Reliability"]
[483,"OC(=O)CCCCCCCCCC(O)=O\n\n\n","OC(=O)CCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCC(=O)O","",1,"Undecanedioic Acid(1)","1852-04-6(1)","3001","High Reliability"]
[484,"OC(=O)CCCCCCCCCCBr\n\n\n","BrCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCBr","",1,"Undecanoic acid, 11-bromo-(1)","2834-05-1(1)","3291","High Reliability"]
[485,"CC(C)CC(N)C(O)=NC(C)C(O)=NCC(O)=O\nCC(C)CC(N)C(=O)NC(C)C(=O)NCC(O)=O\n\n","CC(CC(C(=NC(C(=NCC(=O)O)O)C)O)N)C","O=C(O)CN=C(O)C(N=C(O)C(N)CC(C)C)C","",1,"Glycine, N-(N-L-leucyl-L-alanyl)-(1)","77214-70-1(1)","5237","Medium Reliability","Stereochemistry removed"]
[486,"CC(C)CC(N)C(O)=NC(CCC(O)=N)C(O)=O\nCC(C)CC(N)C(=O)NC(CCC(N)=O)C(O)=O\n\n","CC(CC(C(=NC(C(=O)O)CCC(=N)O)O)N)C","O=C(O)C(N=C(O)C(N)CC(C)C)CCC(=N)O","",1,"D-Glutamine, N2-L-leucyl-(1)","38062-69-0(1)","4661","Medium Reliability","Stereochemistry removed"]
[487,"CCN(CC)c1nc(NC(C)C)nc(OC)n1\n\n\n","COc1nc(NC(C)C)nc(n1)N(CC)CC","n1c(nc(nc1NC(C)C)N(CC)CC)OC","",1,"IPATONE(1)","3004-70-4(1)","3311","High Reliability"]
[488,"COCCCNc1nc(NC(C)C)nc(SC)n1\n\n\n","COCCCNc1nc(SC)nc(n1)NC(C)C","n1c(nc(nc1NC(C)C)SC)NCCCOC","",1,"METHOPROPTRYNE(1)","841-06-5(1)","2713","High Reliability"]
[489,"CCNc1nc(SC)nc(NC(C)C(C)C)n1\n\n\n","CCNc1nc(NC(C(C)C)C)nc(n1)SC","n1c(nc(nc1NC(C)C(C)C)SC)NCC","",1,"DIMETHAMRTRYNE(1)","22936-75-0(1)","4331","Medium Reliability"]
[490,"CCSc1nc(NC(C)C)nc(NC(C)C)n1\n\n\n","CCSc1nc(NC(C)C)nc(n1)NC(C)C","n1c(nc(nc1NC(C)C)SCC)NC(C)C","",1,"DIPROPETRYNE(1)","4147-51-7(1)","3464","High Reliability"]
[491,"CCSC(=O)N(CC)C1CCCCC1\n\n\n","CCN(C(=O)SCC)C1CCCCC1","O=C(N(CC)C1CCCCC1)SCC","",1,"CYCLOATE(1)","1134-23-2(1)","2851","Medium Reliability"]
[492,"CN(C)C(=O)NC1CCCCCCC1\n\n\n","CN(C(=O)NC1CCCCCCC1)C","O=C(NC1CCCCCCC1)N(C)C","",1,"CYCLURON(1)","2163-69-1(1)","3111","High Reliability"]
[493,"CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(O)=O)C(O)=O\n\n\n","O=C(C(NC(=O)C(CCP(=O)(O)C)N)C)NC(C(=O)O)C","O=C(O)C(NC(=O)C(NC(=O)C(N)CCP(=O)(O)C)C)C","",1,"Bilanafos(1)","35597-43-4(1)","4616","High Reliability","Stereochemistry removed"]
[494,"CCCCCC(=O)CCCCC\n\n\n","CCCCCC(=O)CCCCC","O=C(CCCCC)CCCCC","",1,"6-UNDECANONE(1)","927-49-1(1)","2749","High Reliability"]
[495,"CCCCCCCCCCC(O)=O\n\n\n","CCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCC","",1,"UNDECANOIC ACID(1)","112-37-8(1)","1252","High Reliability"]
[496,"CCCCCCCCCC(=O)OC\n\n\n","CCCCCCCCCC(=O)OC","O=C(OC)CCCCCCCCC","",1,"METHYL DECANOATE(1)","110-42-9(1)","1170","High Reliability"]
[497,"CCCCCCCCC(=O)OCC\n\n\n","CCCCCCCCC(=O)OCC","O=C(OCC)CCCCCCCC","",1,"ETHYL NONANOATE(1)","123-29-5(1)","1410","High Reliability"]
[498,"CCCCCCCCOC(=O)C(C)O\n\n\n","CCCCCCCCOC(=O)C(O)C","O=C(OCCCCCCCC)C(O)C","",1,"Propanoic acid, 2-hydroxy-, octyl ester(1)","5464-71-1(1)","3623","High Reliability"]
[499,"CCCCCCOC(=O)CCOCC\n\n\n","CCCCCCOC(=O)CCOCC","O=C(OCCCCCC)CCOCC","",1,"Propionic acid, 3-ethoxy-, hexyl ester(1)","14144-37-7(1)","4013","Medium Reliability"]
[500,"CCCCOCCC(=O)OCCCC\n\n\n","CCCCOCCC(=O)OCCCC","O=C(OCCCC)CCOCCCC","",1,"Propanoic acid, 3-butoxy-, butyl ester(1)","14144-48-0(1)","4016","High Reliability"]
[501,"OCCCCCCCCCCC(O)=O\nOCCCCCCCCCCC([O-])=O\n\n","OCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCO","",1,"Undecanoic acid, 11-hydroxy-(1)","3669-80-5(1)","3410","High Reliability"]
[502,"CCCCCCCCN=C(O)C(C)O\nCCCCCCCCNC(=O)C(C)O\n\n","CCCCCCCCN=C(C(O)C)O","OC(=NCCCCCCCC)C(O)C","",1,"Lactamide, N-octyl-(1)","6280-23-5(1)","3726","High Reliability"]
[503,"NCCCCCCCCCCC(O)=O\n\n\n","NCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCN","",1,"11-Aminoundecanoic acid(1)","2432-99-7(1)","3206","High Reliability"]
[504,"CCSC(=O)N(CC(C)C)CC(C)C\n\n\n","CCSC(=O)N(CC(C)C)CC(C)C","O=C(N(CC(C)C)CC(C)C)SCC","",1,"BUTYLATE(1)","2008-41-5(1)","3064","High Reliability"]
[505,"CCCCCCCCCCC\n\n\n","CCCCCCCCCCC","CCCCCCCCCCC","",1,"N-UNDECANE(1)","1120-21-4(1)","2837","High Reliability"]
[506,"CCCCCCCCCC(C)O\n\n\n","CCCCCCCCCC(O)C","OC(C)CCCCCCCCC","",1,"2-UNDECANOL(1)","1653-30-1(1)","2953","High Reliability"]
[507,"CCCCCCCCOCC(O)CO\n\n\n","CCCCCCCCOCC(CO)O","OCC(O)COCCCCCCCC","",1,"3-Octyloxy-propane-1,2-diol(1)","10438-94-5(1)","3919","High Reliability"]
[508,"CCOP(C)(=O)SCCN(C(C)C)C(C)C\n\n\n","CCOP(=O)(SCCN(C(C)C)C(C)C)C","O=P(OCC)(C)SCCN(C(C)C)C(C)C","",1,"VX(1)","50782-69-9(1)","4789","High Reliability"]
[509,"Clc1cccc(-c2c[nH]cc2C#N)c1Cl\n\n\n","N#Cc1c[nH]cc1c1cccc(c1Cl)Cl","N#Cc1c[nH]cc1c2cccc(c2Cl)Cl","",1,"FENPICLONIL(1)","74738-17-3(1)","5213","High Reliability"]
[510,"OC(=O)c1c(Cl)ccc2ccccc12\n\n\n","OC(=O)c1c(Cl)ccc2c1cccc2","O=C(O)c1c2ccccc2(ccc1Cl)","",1,"1-Naphthalenecarboxylic acid, 2-chloro-(1)","7720-42-5(1)","3873","Medium Reliability"]
[511,"OC(=O)c1cccc2c1c(ccc2)[N+]([O-])=O\nOC(=O)c1cccc2cccc(c12)[N+]([O-])=O\n\n","OC(=O)c1cccc2c1c(ccc2)[N+](=O)[O-]","O=C(O)c2cccc1cccc(c12)[N+](=O)[O-]","",1,"1-NAPHTHALENECARBOXYLIC ACID, 8-NITRO-(1)","2216-13-9(1)","3129","High Reliability"]
[512,"S=C=Nc1cccc2ccccc12\n\n\n","S=C=Nc1cccc2c1cccc2","C(=Nc1cccc2ccccc12)=S","",1,"1-ISOTHIOCYANONAPHTHALENE(1)","551-06-4(1)","2126","Medium Reliability"]
[513,"Cc1c(Cl)cc(cc1Cl)-c2nnc(O)cc2\nCc1c(Cl)cc(cc1Cl)-c2n[nH]c(=O)cc2\n\n","Oc1ccc(nn1)c1cc(Cl)c(c(c1)Cl)C","Oc1nnc(cc1)c2cc(c(c(c2)Cl)C)Cl","",1,"Diclomezine(1)","62865-36-5(1)","5019","High Reliability"]
[514,"Cc1cc2c(nc1)c(C(O)=O)c(Cl)cc2\n\n\n","Cc1cnc2c(c1)ccc(c2C(=O)O)Cl","O=C(O)c1c2ncc(cc2(ccc1Cl))C","",1,"Quinmerac(1)","90717-03-6(1)","5355","High Reliability"]
[515,"OC(=Nc1ccccc1)n2cc(F)c(O)nc2=O\nFc1cn(c(=O)[nH]c1=O)C(=O)Nc2ccccc2\n\n","OC(=Nc1ccccc1)n1cc(F)c(nc1=O)O","O=C1N=C(O)C(F)=CN1C(O)=Nc2ccccc2","",1,"1(2H)-PYRIMIDINECARBOXAMIDE, 5-FLUORO-3,4-DICHLO(1)","56563-17-8(1)","4935","Medium Reliability"]
[516,"[nH]1c2ccccc2nc1-c3ccco3\n\n\n","c1coc(c1)c1nc2c([nH]1)cccc2","n1c3ccccc3([nH]c1c2occc2)","",1,"FUBERIDAZOLE(1)","3878-19-1(1)","3442","High Reliability"]
[517,"CC1=CC(=O)c2c(cccc2)C1=O\nCC1=CC(=O)c2ccccc2C1=O\n\n","O=C1C=C(C)C(=O)c2c1cccc2","O=C1C=C(C(=O)c2ccccc12)C","",1,"2-METHYL-1,4-NAPHTHOQUINONE(1)","58-27-5(1)","149","High Reliability"]
[518,"OC(=O)c1ccc2ccccc2c1\n\n\n","OC(=O)c1ccc2c(c1)cccc2","O=C(O)c1ccc2ccccc2(c1)","",1,"2-NAPHTHOIC ACID(1)","93-09-4(1)","699","High Reliability"]
[519,"OC(=O)c1c2ccccc2ccc1\nOC(=O)c1cccc2ccccc12\n\n","OC(=O)c1cccc2c1cccc2","O=C(O)c2cccc1ccccc12","",1,"1-NAPTHOIC ACID(1)","86-55-5(1)","570","Medium Reliability"]
[520,"CSC1=CC(=O)c2ccccc2C1=O\n\n\n","CSC1=CC(=O)c2c(C1=O)cccc2","O=C1C=C(C(=O)c2ccccc12)SC","",1,"1,4-Naphthalenedione, 2-(methylthio)-(1)","26037-60-5(1)","4413","High Reliability"]
[521,"CC1=CC(=O)c2c(cccc2O)C1=O\nCC1=CC(=O)c2c(O)cccc2C1=O\n\n","CC1=CC(=O)c2c(C1=O)cccc2O","O=C1C=C(C(=O)c2cccc(O)c12)C","",1,"1,4-Naphthalenedione, 5-hydroxy-2-methyl-(1)","481-42-5(1)","1854","High Reliability"]
[522,"OC(=O)c1c2ccccc2ccc1O\nOC(=O)c1c(O)ccc2ccccc12\n\n","OC(=O)c1c(O)ccc2c1cccc2","O=C(O)c2c(O)ccc1ccccc12","",1,"1-Naphthalenecarboxylic acid, 2-hydroxy-(1)","2283-08-1(1)","3157","High Reliability"]
[523,"OC(=O)Cc1cc2ccccc2oc1=O\n\n\n","OC(=O)Cc1cc2ccccc2oc1=O","O=C(O)CC1=Cc2ccccc2(OC1(=O))","",1,"2H-1-Benzopyran-3-acetic acid, 2-oxo-(1)","20862-58-2(1)","4283","Medium Reliability"]
[524,"ClCC#CCOC(=O)Nc1cccc(Cl)c1\n\n\n","ClCC#CCOC(=O)Nc1cccc(c1)Cl","O=C(OCC#CCCl)Nc1cccc(c1)Cl","",1,"BARBAN(1)","101-27-9(1)","907","High Reliability"]
[525,"O=C(Nc1ccccn1)c2cnccc2\n\n\n","O=C(c1cccnc1)Nc1ccccn1","O=C(Nc1ncccc1)c2cnccc2","",1,"3-Pyridinecarboxamide, N-2-pyridinyl-(1)","13160-07-1(1)","3958","High Reliability"]
[526,"Cc1noc(c1C(O)=O)-c2ccccc2\n\n\n","OC(=O)c1c(C)noc1c1ccccc1","O=C(O)c2c(noc2(c1ccccc1))C","",1,"4-Isoxazolecarboxylic acid, 3-methyl-5-phenyl-(1)","17153-21-8(1)","4144","Medium Reliability"]
[527,"ON(C(=O)c1ccco1)c2ccccc2\n\n\n","ON(C(=O)c1ccco1)c1ccccc1","O=C(c1occc1)N(O)c2ccccc2","",1,"2-Furancarboxamide, N-hydroxy-N-phenyl-(1)","7630-14-0(1)","3862","Medium Reliability"]
[528,"Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n\n","Clc1c(c2c(Cl)c(Cl)c(c(c2Cl)Cl)Cl)c(Cl)c(c(c1Cl)Cl)Cl","c2(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","",1,"DECACHLOROBIPHENYL(1)","2051-24-3(1)","3083","High Reliability"]
[529,"Clc1c2oc3c(c2c(Cl)c(Cl)c1Cl)c(Cl)c(Cl)c(Cl)c3Cl\nClc1c(Cl)c(Cl)c2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c23)c1Cl\n\n","Clc1c(Cl)c(Cl)c2c(c1Cl)oc1c2c(Cl)c(c(c1Cl)Cl)Cl","o1c3c(c2c1c(c(c(c2Cl)Cl)Cl)Cl)c(c(c(c3Cl)Cl)Cl)Cl","",1,"OCTACHLORODIBENZOFURAN(1)","39001-02-0(1)","4702","High Reliability"]
[530,"Clc1c(Cl)c2c(Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3O2)c(Cl)c1Cl\n\n\n","Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl","O1c3c(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl)c(c(c(c3Cl)Cl)Cl)Cl","",1,"1,2,3,4,6,7,8,9-OCTACHLORODIBENZO-P-DIOXIN(1)","3268-87-9(1)","3361","High Reliability"]
[531,"c1ccc(cc1)-c2ccccc2\n\n\n","c1ccc(cc1)c1ccccc1","c1ccc(cc1)c2ccccc2","",1,"BIPHENYL(1)","92-52-4(1)","687","High Reliability"]
[532,"C1Cc2c3c1cccc3ccc2\n\n\n","c1cc2cccc3c2c(c1)CC3","c2cc1cccc3c1c(c2)CC3","",1,"ACENAPHTHENE(1)","83-32-9(1)","521","High Reliability"]
[533,"FC(F)(F)c1cccc(c1)N2CC(CCl)C(Cl)C2=O\n\n\n","ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F","O=C2N(c1cccc(c1)C(F)(F)F)CC(CCl)C2Cl","",1,"FLUROCHLORIDONE(1)","61213-25-0(1)","5002","High Reliability"]
[534,"Nc1c(Cl)cc(cc1)-c2cc(Cl)c(N)cc2\n\n\n","Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N","Nc1ccc(cc1Cl)c2ccc(N)c(c2)Cl","",1,"3,3'-DICHLOROBENZIDINE(1)","91-94-1(1)","680","High Reliability"]
[535,"Nc1ccc(cc1)-c2ccc(Cl)cc2\n\n\n","Nc1ccc(cc1)c1ccc(cc1)Cl","Nc1ccc(cc1)c2ccc(cc2)Cl","",1,"4-Amino-4'-chlorodiphenyl(1)","135-68-2(1)","1525","Medium Reliability"]
[536,"Clc1nccc(NC(=O)Nc2ccccc2)c1\n\n\n","O=C(Nc1ccnc(c1)Cl)Nc1ccccc1","O=C(Nc1ccccc1)Nc2ccnc(c2)Cl","",1,"Forchlorfenuron(1)","68157-60-8(1)","5098","High Reliability"]
[537,"Nc1ccc(cc1)S(=O)(=O)c2ccc(Cl)cc2\n\n\n","Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl","O=S(=O)(c1ccc(N)cc1)c2ccc(cc2)Cl","",1,"BENZENAMINE, 4-[(4-CHLOROPHENYL)SULFONYL]-(1)","7146-68-1(1)","3816","High Reliability"]
[538,"c1ccc(cc1)N=Nc2ccccc2\n\n\n","c1ccc(cc1)N=Nc1ccccc1","N(=Nc1ccccc1)c2ccccc2","",1,"AZOBENZENE(1)","103-33-3(1)","930","High Reliability"]
[539,"O=C(Nc1ccccc1)c2cnccc2\n\n\n","O=C(c1cccnc1)Nc1ccccc1","O=C(Nc1ccccc1)c2cnccc2","",1,"NICOTINANILIDE(1)","1752-96-1(1)","2980","High Reliability"]
[540,"Oc1ccc(cc1)N=Nc2ccccc2\nO=C1C=CC(C=C1)=NNc2ccccc2\n\n","Oc1ccc(cc1)N=Nc1ccccc1","Oc2ccc(N=Nc1ccccc1)cc2","",1,"P-PHENYLAZOPHENOL(1)","1689-82-3(1)","2960","High Reliability","Stereochemistry removed"]
[541,"O=NN(c1ccccc1)c2ccccc2\n\n\n","O=NN(c1ccccc1)c1ccccc1","O=NN(c1ccccc1)c2ccccc2","",1,"DIPHENYLNITROSAMINE(1)","86-30-6(1)","568","High Reliability"]
[542,"Oc1cc(O)c(cc1)N=Nc2ccccc2\nOc1ccc(N=Nc2ccccc2)c(O)c1\nOC1=CC(=O)C=CC1=NNc2ccccc2\n","Oc1ccc(c(c1)O)N=Nc1ccccc1","Oc2ccc(N=Nc1ccccc1)c(O)c2","",1,"2,4-Dihydroxyazobenzene(1)","2051-85-6(1)","3087","High Reliability","Stereochemistry removed"]
[543,"OS(=O)(=O)c1ccc(cc1)N=Nc2ccccc2\n\n\n","OS(=O)(=O)c1ccc(cc1)N=Nc1ccccc1","O=S(=O)(O)c2ccc(N=Nc1ccccc1)cc2","",1,"4-(PHENYLAZO)BENZENESULFONIC ACID(1)","2484-88-0(1)","3218","High Reliability"]
[544,"O(c1ccccc1)c2ccccc2\n\n\n","c1ccc(cc1)Oc1ccccc1","O(c1ccccc1)c2ccccc2","",1,"DIPHENYL ETHER(1)","101-84-8(1)","913","High Reliability"]
[545,"CC(=O)c1cc2ccccc2cc1\nCC(=O)c1ccc2ccccc2c1\n\n","CC(=O)c1ccc2c(c1)cccc2","O=C(c1ccc2ccccc2(c1))C","",1,"1-(2-NAPHTHALENYL)ETHANONE(1)","93-08-3(1)","698","High Reliability"]
[546,"Oc1ccc(cc1)-c2ccccc2\n\n\n","Oc1ccc(cc1)c1ccccc1","Oc1ccc(cc1)c2ccccc2","",1,"P-PHENYLPHENOL(1)","92-69-3(1)","690","High Reliability"]
[547,"Oc1c(cccc1)-c2ccccc2\nOc1ccccc1-c2ccccc2\n\n","Oc1ccccc1c1ccccc1","Oc1ccccc1c2ccccc2","",1,"2-PHENYLPHENOL(1)","90-43-7(1)","656","High Reliability"]
[548,"Oc1c(O)cc(cc1)-c2ccccc2\nOc1ccc(cc1O)-c2ccccc2\n\n","Oc1ccc(cc1O)c1ccccc1","Oc1ccc(cc1(O))c2ccccc2","",1,"4-PHENYLCATECHOL(1)","92-05-7(1)","681","High Reliability"]
[549,"Oc1ccccc1Oc2ccccc2\n\n\n","Oc1ccccc1Oc1ccccc1","Oc2ccccc2(Oc1ccccc1)","",1,"Phenol, 2-phenoxy-(1)","2417-10-9(1)","3196","High Reliability"]
[550,"OC(=O)Cc1c2ccccc2ccc1\nOC(=O)Cc1cccc2ccccc12\n\n","OC(=O)Cc1cccc2c1cccc2","O=C(O)Cc2cccc1ccccc12","",1,"NAPHTHALENEACETIC ACID(1)","86-87-3(1)","578","High Reliability"]
[551,"Oc1c(cccc1)S(=O)(=O)c2c(O)cccc2\n\n\n","Oc1ccccc1S(=O)(=O)c1ccccc1O","O=S(=O)(c1ccccc1(O))c2ccccc2(O)","",1,"Phenol, 2,2'-sulfonylbis-(1)","15038-67-2(1)","4051","High Reliability"]
[552,"Oc1ccc(Sc2ccccc2)cc1\n\n\n","Oc1ccc(cc1)Sc1ccccc1","Oc1ccc(cc1)Sc2ccccc2","",1,"Phenol, 4-(phenylthio)-(1)","5633-55-6(1)","3644","Medium Reliability"]
[553,"Clc1cc(Cl)c(cc1)C2(Cn3cncn3)OCCO2\nClc1ccc(c(Cl)c1)C2(Cn3cncn3)OCCO2\n\n","Clc1ccc(c(c1)Cl)C1(OCCO1)Cn1cncn1","n1cnn(c1)CC2(OCCO2)c3ccc(cc3Cl)Cl","",1,"AZACONAZOL(1)","60207-31-0(1)","4985","Medium Reliability"]
[554,"CC(C)(NC(=O)c1cc(Cl)cc(Cl)c1)C#C\n\n\n","C#CC(NC(=O)c1cc(Cl)cc(c1)Cl)(C)C","O=C(NC(C#C)(C)C)c1cc(cc(c1)Cl)Cl","",1,"PRONAMIDE(1)","23950-58-5(1)","4353","High Reliability"]
[555,"FC(F)(F)C(=NOCC1OCCO1)c2ccc(Cl)cc2\n\n\n","FC(C(=NOCC1OCCO1)c1ccc(cc1)Cl)(F)F","FC(F)(F)C(=NOCC1OCCO1)c2ccc(cc2)Cl","",1,"FLUXOFENIM(1)","88485-37-4(1)","5328","High Reliability","Stereochemistry removed"]
[556,"NS(=O)(=O)c1c(Cl)cc(NCc2ccco2)c(c1)C(O)=O\nNS(=O)(=O)c1cc(C(O)=O)c(NCc2occc2)cc1Cl\n\n","OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N","O=C(O)c2cc(c(cc2(NCc1occc1))Cl)S(=O)(=O)N","",1,"FUROSEMIDE(1)","54-31-9(1)","77","High Reliability"]
[557,"CC(=O)NCc1c(I)c(C(O)=O)c(I)c(NC(C)=O)c1I\n\n\n","CC(=O)NCc1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I","O=C(O)c1c(c(NC(=O)C)c(c(c1I)CNC(=O)C)I)I","",1,"Iodamide(1)","440-58-4(1)","1786","High Reliability"]
[558,"N(c1ccccc1)c2ccccc2\n\n\n","c1ccc(cc1)Nc1ccccc1","c1ccc(cc1)Nc2ccccc2","",1,"DIPHENYLAMINE(1)","122-39-4(1)","1391","High Reliability"]
[559,"N(N=Nc1ccccc1)c2ccccc2\n\n\n","c1ccc(cc1)NN=Nc1ccccc1","N(=Nc1ccccc1)Nc2ccccc2","",1,"1,3-DIPHENYL-1-TRIAZENE(1)","136-35-6(1)","1527","High Reliability"]
[560,"Nc1ccc(cc1)N=Nc2ccccc2\n\n\n","Nc1ccc(cc1)N=Nc1ccccc1","N(=Nc1ccc(N)cc1)c2ccccc2","",1,"P-PHENYLAZOANILINE(1)","60-09-3(1)","180","High Reliability","Stereochemistry removed"]
[561,"C(Nc1c-2ncnc2nc[nH]1)c3ccccc3\nC(Nc1ncnc2nc[nH]c12)c3ccccc3\n\n","c1ccc(cc1)CNc1[nH]cnc2c1ncn2","N=1C=NC=3C=1N=CNC=3(NCc2ccccc2)","",1,"1H-PURIN-6-AMINE, N-(PHENYLMETHYL)-(1)","1214-39-7(1)","2876","High Reliability"]
[562,"Nc1c2ncn(Cc3ccccc3)c2ncn1\nNc1ncnc2n(Cc3ccccc3)cnc12\n\n","Nc1ncnc2c1ncn2Cc1ccccc1","n3cnc1c(ncn1Cc2ccccc2)c3N","",1,"9H-PURIN-6-AMINE, 9-(PHENYLMETHYL)-(1)","4261-14-7(1)","3475","High Reliability"]
[563,"NC(=O)Cc1c2ccccc2ccc1\nNC(=O)Cc1cccc2ccccc12\n\n","NC(=O)Cc1cccc2c1cccc2","O=C(N)Cc2cccc1ccccc12","",1,"1-Naphthaleneacetamide(1)","86-86-2(1)","577","High Reliability"]
[564,"CNC(=O)Oc1c2ccccc2ccc1\nCNC(=O)Oc1cccc2ccccc12\n\n","CNC(=O)Oc1cccc2c1cccc2","O=C(Oc1cccc2ccccc12)NC","",1,"1-NAPHTHYL-N-METHYLCARBAMATE(1)","63-25-2(1)","217","Medium Reliability"]
[565,"Cc1c(cco1)C(=O)Nc2ccccc2\n\n\n","O=C(c1ccoc1C)Nc1ccccc1","O=C(Nc1ccccc1)c2ccoc2C","",1,"Fenfuram(1)","24691-80-3(1)","4364","High Reliability"]
[566,"O=C1CC(CC(=O)C1N(=O)=O)c2ccccc2\n[O-][N+](=O)C1C(=O)CC(CC1=O)c2ccccc2\n\n","O=C1CC(CC(=O)C1[N+](=O)[O-])c1ccccc1","O=C2CC(c1ccccc1)CC(=O)C2[N+](=O)[O-]","",1,"Cyclohexane-1,3-dione, 2-nitro-5-phenyl-(1)","91569-89-0(1)","5367","Medium Reliability"]
[567,"COc1ccc(cc1)C(=O)c2csc(c2)S(N)(=O)=O\n\n\n","COc1ccc(cc1)C(=O)c1csc(c1)S(=O)(=O)N","O=C(c1ccc(OC)cc1)c2cc(sc2)S(=O)(=O)N","",1,"2-THIOPHENESULFONAMIDE, 4-(4-METHOXYBENZOYL)-(1)","118976-97-9(1)","5627","Medium Reliability"]
[568,"CCc1cccc2c1cccc2\nCCc1cccc2ccccc12\n\n","CCc1cccc2c1cccc2","c1ccc2c(c1)cccc2CC","",1,"1-ETHYLNAPHTHALENE(1)","1127-76-0(1)","2847","High Reliability"]
[569,"CCc1ccc2ccccc2c1\n\n\n","CCc1ccc2c(c1)cccc2","c1ccc2cc(ccc2(c1))CC","",1,"2-ETHYLNAPHTHALENE(1)","939-27-5(1)","2763","High Reliability"]
[570,"Cc1cc2c(cc1)cc(C)cc2\nCc1ccc2cc(C)ccc2c1\n\n","Cc1ccc2c(c1)ccc(c2)C","c1cc(cc2ccc(cc12)C)C","",1,"2,6-DIMETHYLNAPHTHALENE(1)","581-42-0(1)","2230","High Reliability"]
[571,"Cc1cccc2c(C)cccc12\n\n\n","Cc1cccc2c1cccc2C","c2cc1c(cccc1C)c(c2)C","",1,"1,5-DIMETHYLNAPHTHALENE(1)","571-61-9(1)","2204","High Reliability"]
[572,"Cc1cc(C)c2ccccc2c1\n\n\n","Cc1cc2ccccc2c(c1)C","c1ccc2c(c1)cc(cc2C)C","",1,"1,3-DIMETHYLNAPTHALENE(1)","575-41-7(1)","2208","Medium Reliability"]
[573,"Cc1c(C)cc2ccccc2c1\nCc1cc2ccccc2cc1C\n\n","Cc1cc2ccccc2cc1C","c1ccc2cc(c(cc2(c1))C)C","",1,"2,3-DIMETHYLNAPHTHALENE(1)","581-40-8(1)","2229","High Reliability"]
[574,"Cc1ccc(C)c2c1cccc2\n\n\n","Cc1ccc(c2c1cccc2)C","c1ccc2c(c1)c(ccc2C)C","",1,"1,4-DIMETHYLNAPHTHALENE(1)","571-58-4(1)","2203","High Reliability"]
[575,"CC(C#C)N(C(=O)CCl)c1ccccc1\n\n\n","ClCC(=O)N(C(C#C)C)c1ccccc1","O=C(N(c1ccccc1)C(C#C)C)CCl","",1,"Prynachlor(1)","21267-72-1(1)","4291","High Reliability"]
[576,"N(Nc1ccccc1)c2ccccc2\n\n\n","c1ccc(cc1)NNc1ccccc1","c1ccc(cc1)NNc2ccccc2","",1,"HYDRAZOBENZENE(1)","122-66-7(1)","1395","High Reliability"]
[577,"[Br-].[Br-].C1C[n+]2c(cccc2)-c3[n+]1cccc3\n[Br-].[Br-].C1C[n+]2ccccc2-c3cccc[n+]13\nC1C[n+]2c(cccc2)-c3cccc[n+]13\n[Br-].[Br-].C1C[n+]2ccccc2-c3cccc[n+]13","c1cc[n+]2c(c1)c1cccc[n+]1CC2","c1cc[n+]3c(c1)c2cccc[n+]2CC3","",2,"DIQUAT DIBROMIDE(1), DIQUAT(1)","85-00-7(1), 2764-72-9(1)","550, 3283","High Reliability","Differences in counterions"]
[578,"Nc1ccc(cc1)-c2ccc(N)cc2\n\n\n","Nc1ccc(cc1)c1ccc(cc1)N","Nc1ccc(cc1)c2ccc(N)cc2","",1,"BENZIDINE(1)","92-87-5(1)","692","High Reliability"]
[579,"Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2\n\n\n","Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N","O=S(=O)(c1ccc(N)cc1)c2ccc(N)cc2","",1,"di(p-aminophenyl)sulfone(1)","80-08-0(1)","486","Medium Reliability","Name verified in PubChem"]
[580,"Nc1ccc(cc1)S(=O)(=O)c2ccccc2N\n\n\n","Nc1ccc(cc1)S(=O)(=O)c1ccccc1N","O=S(=O)(c1ccc(N)cc1)c2ccccc2(N)","",1,"BENZENAMINE, 2-[(4-AMINOPHENYL)SULFONYL]-(1)","27147-69-9(1)","4440","Medium Reliability"]
[581,"CCC1(C(=O)NC(=O)NC1=O)c2ccccc2\n\n\n","CCC1(C(=O)NC(=O)NC1=O)c1ccccc1","O=C2NC(=O)C(c1ccccc1)(C(=O)N2)CC","",1,"PHENOBARBITAL(1)","50-06-6(1)","5","Medium Reliability"]
[582,"CCn1cc(C(O)=O)c(=O)c2c1nc(C)cc2\nCCn1cc(C(O)=O)c(=O)c2ccc(C)nc12\n\n","CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2","O=C(O)C1=CN(c2nc(ccc2(C1(=O)))C)CC","",1,"NALIDIXIC ACID(1)","389-08-2(1)","1771","High Reliability"]
[583,"CCC1(C(=O)NC(=O)NC1=O)c2ccc(O)cc2\n\n\n","CCC1(C(=O)NC(=O)NC1=O)c1ccc(cc1)O","O=C1NC(=O)C(C(=O)N1)(c2ccc(O)cc2)CC","",1,"5-ETHYL-5-(P-HYDROXYPHENYL)BARBITURIC ACID(1)","379-34-0(1)","1767","Medium Reliability"]
[584,"Cl.Nc1ccc(N=Nc2ccccc2)c(N)c1\n[H+].[Cl-].Nc1ccc(N=Nc2ccccc2)c(N)c1\n\n","Nc1ccc(c(c1)N)N=Nc1ccccc1","N(=Nc1ccc(N)cc1(N))c2ccccc2","",1,"C.I. BASIC ORANGE 2(1)","532-82-1(1)","2022","High Reliability","Differences in counterions, Organic counterion"]
[585,"O=C1CC(CC(=O)C1)c2ccccc2\nOC1=CC(=O)CC(C1)c2ccccc2\n\n","O=C1CC(CC(=O)C1)c1ccccc1","O=C2CC(=O)CC(c1ccccc1)C2","",1,"1,3-Cyclohexanedione, 5-phenyl-(1)","493-72-1(1)","1885","High Reliability","Stereochemistry removed"]
[586,"CC(=O)C(CC(O)=O)=Cc1ccccc1\n\n\n","CC(=O)C(=Cc1ccccc1)CC(=O)O","O=C(O)CC(=Cc1ccccc1)C(=O)C","",1,"Pentanoic acid, 4-oxo-3-(phenylmethylene)-(1)","26717-32-8(1)","4427","Medium Reliability"]
[587,"CCCN(CCCl)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O\n\n\n","CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCCl","O=[N+]([O-])c1cc(cc(c1N(CCC)CCCl)[N+](=O)[O-])C(F)(F)F","",1,"FLUCHLORALIN(1)","33245-39-5(1)","4559","High Reliability"]
[588,"CC(C#C)N(C)C(=O)Nc1ccc(Cl)cc1\n\n\n","CC(N(C(=O)Nc1ccc(cc1)Cl)C)C#C","O=C(Nc1ccc(cc1)Cl)N(C)C(C#C)C","",1,"BUTURON(1)","3766-60-7(1)","3430","High Reliability"]
[589,"CC(CN(C(C)=O)c1c(I)cc(I)c(N)c1I)C(O)=O\n\n\n","CC(C(=O)O)CN(c1c(I)cc(c(c1I)N)I)C(=O)C","O=C(O)C(C)CN(C(=O)C)c1c(cc(c(N)c1I)I)I","",1,"Iocetamic acid(1)","16034-77-8(1)","4090","High Reliability"]
[590,"CCNc1cccc2ccccc12\n\n\n","CCNc1cccc2c1cccc2","c1ccc2c(c1)cccc2(NCC)","",1,"1-NAPHTHALENAMINE, N-ETHYL-(1)","118-44-5(1)","1319","High Reliability"]
[591,"NNP(=O)(Oc1ccccc1)Oc2ccccc2\n\n\n","NNP(=O)(Oc1ccccc1)Oc1ccccc1","O=P(Oc1ccccc1)(Oc2ccccc2)NN","",1,"PHOSPHOROHYDRAZIDIC ACID, DIPHENYL ESTER(1)","33862-44-1(1)","4574","High Reliability"]
[592,"Cc1cc(C)nc(Nc2ccccc2)n1\n\n\n","Cc1cc(C)nc(n1)Nc1ccccc1","n1c(nc(cc1C)C)Nc2ccccc2","",1,"Pyrimethanil(1)","53112-28-0(1)","4869","High Reliability"]
[593,"OC(=NCCc1cnc[nH]1)c2ccccc2\nO=C(NCCc1c[nH]cn1)c2ccccc2\n\n","OC(=NCCc1cnc[nH]1)c1ccccc1","OC(=NCCc1cnc[nH]1)c2ccccc2","",1,"Benzamide, N-[2-(1H-imidazol-4-yl)ethyl]-(1)","29677-71-2(1)","4491","Medium Reliability"]
[594,"CN(c1ccccn1)S(=O)(=O)c2ccc(N)cc2\n\n\n","Nc1ccc(cc1)S(=O)(=O)N(c1ccccn1)C","O=S(=O)(c1ccc(N)cc1)N(c2ncccc2)C","",1,"N1-METHYL-N1-(2-PYRIDYL)SULFANILAMIDE(1)","51543-29-4(1)","4815","Medium Reliability","Checked on PubChem"]
[595,"NC(N)=NC(N)=Nc1cc2ccccc2cc1\nNC(=N)NC(=N)Nc1ccc2ccccc2c1\nNC(N)=NC(N)=Nc1ccc2ccccc2c1\n","NC(=NC(=Nc1ccc2c(c1)cccc2)N)N","N(C(=Nc1ccc2ccccc2(c1))N)=C(N)N","",1,"Imidodicarbonimidic diamide, N-2-naphthalenyl-(1)","5426-97-1(1)","3607","Medium Reliability","Stereochemistry removed"]
[596,"NC(N)=NC(N)=Nc1cccc2ccccc12\nNC(=N)NC(=N)Nc1cccc2ccccc12\n\n","NC(=NC(=Nc1cccc2c1cccc2)N)N","N(C(=Nc1cccc2ccccc12)N)=C(N)N","",1,"Imidodicarbonimidic diamide, N-1-naphthalenyl-(1)","13261-53-5(1)","3965","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[597,"COC(=O)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2\n\n\n","COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC","O=C(OC)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC","",1,"HARMONY(1)","79277-27-3(1)","5253","High Reliability"]
[598,"CCC(C)N1C(=O)c2ccccc2C1=O\n\n\n","CCC(N1C(=O)c2c(C1=O)cccc2)C","O=C1c2ccccc2(C(=O)N1C(C)CC)","",1,"1H-Isoindole-1,3(2H)-dione, 2-(1-methylpropyl)-(1)","10108-61-9(1)","3901","High Reliability"]
[599,"OC(=O)CCCc1c[nH]c2c1cccc2\nOC(=O)CCCc1c[nH]c2ccccc12\n\n","OC(=O)CCCc1c[nH]c2c1cccc2","O=C(O)CCCc2c[nH]c1ccccc12","",1,"3-INDOLEBUTYRIC ACID(1)","133-32-4(1)","1512","High Reliability"]
[600,"CC1=C(SCCO1)C(=O)Nc2ccccc2\n\n\n","O=C(C1=C(C)OCCS1)Nc1ccccc1","O=C(Nc1ccccc1)C2=C(OCCS2)C","",1,"CARBOXIN(1)","5234-68-4(1)","3577","High Reliability"]
[601,"CCOC(=O)C(=Cc1ccccc1)N=CO\n\n\n","CCOC(=O)C(=Cc1ccccc1)N=CO","O=C(OCC)C(N=CO)=Cc1ccccc1","",1,"Ethyl 2-formamido phenyl acrylate(1)","25315-34-8(1)","4388","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[602,"CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1\n\n\n","O=C(C1=C(C)OCCS1(=O)=O)Nc1ccccc1","O=C(Nc1ccccc1)C2=C(OCCS2(=O)(=O))C","",1,"OXYCARBOXIN(1)","5259-88-1(1)","3578","High Reliability"]
[603,"OC(=O)CC(O)(CC(O)=O)C(O)=Nc1ccccc1\nOC(=O)CC(O)(CC(O)=O)C(=O)Nc1ccccc1\n\n","OC(=Nc1ccccc1)C(CC(=O)O)(CC(=O)O)O","O=C(O)CC(O)(C(O)=Nc1ccccc1)CC(=O)O","",1,"Glutaric acid, 3-hydroxy-3-(phenylcarbamoyl)-(1)","15119-64-9(1)","4055","Medium Reliability"]
[604,"CCOP(=O)(OCC)OC(=CCl)c1c(Cl)cc(Cl)cc1\nCCOP(=O)(OCC)OC(=CCl)c1ccc(Cl)cc1Cl\n\n","CCOP(=O)(OC(=CCl)c1ccc(cc1Cl)Cl)OCC","O=P(OC(=CCl)c1ccc(cc1Cl)Cl)(OCC)OCC","",1,"CHLORFENVINPHOS(1)","470-90-6(1)","1825","High Reliability","Stereochemistry removed"]
[605,"CCOP(=S)(OCC)ON=C(C#N)c1ccccc1Cl\n\n\n","CCOP(=S)(ON=C(c1ccccc1Cl)C#N)OCC","N#CC(=NOP(OCC)(OCC)=S)c1ccccc1Cl","",1,"Chlorphoxim(1)","14816-20-7(1)","4045","High Reliability","Stereochemistry removed"]
[606,"CC1(C)CON(Cc2c(Cl)cccc2)C1=O\n\n\n","O=C1N(OCC1(C)C)Cc1ccccc1Cl","O=C1N(OCC1(C)C)Cc2ccccc2Cl","",1,"CLOMAZONE(1)","81777-89-1(1)","5271","High Reliability"]
[607,"[Cl-].[Cl-].C[n+]1ccc(cc1)-c2cc[n+](C)cc2\nC[n+]1ccc(cc1)-c2cc[n+](C)cc2\n\n","C[n+]1ccc(cc1)c1cc[n+](cc1)C","c1c[n+](ccc1c2cc[n+](cc2)C)C","",2,"Paraquat dichloride(1), PARAQUAT ION(1)","1910-42-5(1), 4685-14-7(1)","3018, 3522","High Reliability"]
[608,"NCCNc1c2ccccc2ccc1\nNCCNc1cccc2ccccc12\n[H+].[H+].[Cl-].[Cl-].NCCNc1cccc2ccccc12\n","NCCNc1cccc2c1cccc2","NCCNc2cccc1ccccc12","",1,"1,2-Ethanediamine, N-1-naphthalenyl-(1)","551-09-7(1)","2127","High Reliability","Differences in counterions"]
[609,"CCC1(C(=O)NCNC1=O)c2ccccc2\n\n\n","CCC1(C(=O)NCNC1=O)c1ccccc1","O=C2NCNC(=O)C2(c1ccccc1)CC","",1,"PRIMIDONE(1)","125-33-7(1)","1456","High Reliability"]
[610,"OC(=O)C(Cc1ccccc1)NCCC#N\n[O-]C(=O)C(Cc1ccccc1)[NH2+]CCC#N\n\n","N#CCCNC(C(=O)O)Cc1ccccc1","N#CCCNC(C(=O)O)Cc1ccccc1","",1,"DL-Phenylalanine, N-(2-cyanoethyl)-(1)","15095-74-6(1)","4052","Medium Reliability","Stereochemistry removed"]
[611,"Oc1c(cc(cc1C2CCCCC2)[N+]([O-])=O)[N+]([O-])=O\nOc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C2CCCCC2\n\n","[O-][N+](=O)c1cc(C2CCCCC2)c(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(c(O)c(c1)C2CCCCC2)[N+](=O)[O-]","",1,"2-CYCLOHEXYL-4,6-DINITROPHENOL(1)","131-89-5(1)","1500","High Reliability"]
[612,"CCC(C)c1c(OC(C)=O)c(cc(c1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","CCC(c1cc(cc(c1OC(=O)C)[N+](=O)[O-])[N+](=O)[O-])C","O=C(Oc1c(cc(cc1C(C)CC)[N+](=O)[O-])[N+](=O)[O-])C","",1,"DINOSEB ACETATE(1)","2813-95-8(1)","3288","High Reliability"]
[613,"Cn1ccsc1=Nc2c(C)cc(C)cc2\nCn1ccsc1=Nc2ccc(C)cc2C\n\n","Cc1ccc(c(c1)C)N=c1sccn1C",null,null,1,"Tifatol(1)","61676-87-7(1)","5008","High Reliability"]
[614,"Cc1nc(C)nc(NS(=O)(=O)c2ccc(N)cc2)c1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)nc(n1)C","O=S(=O)(Nc1nc(nc(c1)C)C)c2ccc(N)cc2","",1,"SULFISOMIDINE(1)","515-64-0(1)","1971","High Reliability"]
[615,"Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C","O=S(=O)(Nc1nc(cc(n1)C)C)c2ccc(N)cc2","",1,"SULFAMETHAZINE(1)","57-68-1(1)","136","High Reliability"]
[616,"CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O\n\n\n","CCn1ccc(nc1=O)NS(=O)(=O)c1ccc(cc1)N","O=C1N=C(C=CN1CC)NS(=O)(=O)c2ccc(N)cc2","",1,"Sulfacytine(1)","17784-12-2(1)","4171","High Reliability"]
[617,"COc1nc(C)nc(NS(=O)(=O)c2ccc(N)cc2)c1\n\n\n","COc1cc(nc(n1)C)NS(=O)(=O)c1ccc(cc1)N","O=S(=O)(Nc1nc(nc(OC)c1)C)c2ccc(N)cc2","",1,"SULFAMETHOMIDINE(1)","3772-76-7(1)","3433","High Reliability"]
[618,"COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1\n\n\n","COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)N","O=S(=O)(Nc1nc(nc(OC)c1)OC)c2ccc(N)cc2","",1,"SULFADIMETHOXINE(1)","122-11-2(1)","1386","High Reliability"]
[619,"COC(=O)NC(=S)Nc1c(NC(=S)NC(=O)OC)cccc1\nCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC\n\n","COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC","O=C(OC)NC(Nc1ccccc1(NC(NC(=O)OC)=S))=S","",1,"THIOPHANATE-METHYL(1)","23564-05-8(1)","4344","High Reliability"]
[620,"CC(=O)CC(CC(O)=O)c1ccccc1\n\n\n","CC(=O)CC(c1ccccc1)CC(=O)O","O=C(O)CC(c1ccccc1)CC(=O)C","",1,"5-oxo-3-phenyl-hexanoic acid(1)","6049-47-4(1)","3693","Medium Reliability"]
[621,"CCC(C(C(O)=O)c1ccccc1)C(O)=O\n\n\n","CCC(C(c1ccccc1)C(=O)O)C(=O)O","O=C(O)C(c1ccccc1)C(C(=O)O)CC","",1,"Succinic acid, 2-ethyl-3-phenyl-(1)","16827-45-5(1)","4121","Medium Reliability"]
[622,"CCOC(=O)c1ccccc1C(=O)OCC\n\n\n","CCOC(=O)c1ccccc1C(=O)OCC","O=C(OCC)c1ccccc1(C(=O)OCC)","",1,"DIETHYL PHTHALATE(1)","84-66-2(1)","544","High Reliability"]
[623,"COc1c(OCC(O)=O)ccc(CC=C)c1\nCOc1cc(CC=C)ccc1OCC([O-])=O\nCOc1c(OCC(O)=O)ccc(C=CC)c1\nCOc1cc(C=CC)ccc1OCC([O-])=O","C=CCc1ccc(c(c1)OC)OCC(=O)O","O=C(O)COc1ccc(cc1(OC))CC=C","",2,"Acetic acid, [2-methoxy-4-(2-propenyl)phenoxy]-(1), Acetic acid, [2-methoxy-4-(1-propenyl)phenoxy]-(1)","6331-61-9(1), 7510-46-5(1)","3747, 3851","High Reliability","Stereochemistry removed"]
[624,"CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc12\n\n\n","CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC","O=C2Oc1cc(ccc1N2CSP(OCC)(OCC)=S)Cl","",1,"PHOSALONE(1)","2310-17-0(1)","3166","High Reliability"]
[625,"CCOP(=S)(OCC)Oc1cnc2ccccc2n1\n\n\n","CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC","n1cc(nc2ccccc12)OP(OCC)(OCC)=S","",1,"QUINALPHOS(1)","13593-03-8(1)","3991","High Reliability"]
[626,"CCOP(=S)(OCC)ON=C(C#N)c1ccccc1\n\n\n","CCOP(=S)(ON=C(c1ccccc1)C#N)OCC","N#CC(=NOP(OCC)(OCC)=S)c1ccccc1","",1,"PHOXIM(1)","14816-18-3(1)","4044","High Reliability","Stereochemistry removed"]
[627,"O=C(OC1CCNCC1)c2ccccc2\n\n\n","O=C(c1ccccc1)OC1CCNCC1","O=C(OC1CCNCC1)c2ccccc2","",1,"4-Piperidinol, benzoate (ester)(1)","123202-89-1(1)","5648","Medium Reliability","Checked on PubChem"]
[628,"CN(CCOC(=O)c1ccccc1)C(C)=O\n\n\n","CN(C(=O)C)CCOC(=O)c1ccccc1","O=C(OCCN(C(=O)C)C)c1ccccc1","",1,"ACETAMIDE, N-[2-(BENZOYLOXY)ETHYL]-N-METHYL-(1)","57440-16-1(1)","4948","Medium Reliability"]
[629,"CNC(=O)Oc1cccc2c1OC(C)(C)C2\n\n\n","CNC(=O)Oc1cccc2c1OC(C2)(C)C","O=C(Oc2cccc1c2(OC(C)(C)C1))NC","",1,"CARBOFURAN(1)","1563-66-2(1)","2922","High Reliability"]
[630,"CN(C)C(=O)CCOC(=O)c1ccccc1\n\n\n","CN(C(=O)CCOC(=O)c1ccccc1)C","O=C(OCCC(=O)N(C)C)c1ccccc1","",1,"PROPANAMIDE, 3-(BENZOYLOXY)-N,N-DIMETHYL-(1)","115178-77-3(1)","5592","Medium Reliability"]
[631,"CCCNC(=O)COC(=O)c1ccccc1\n\n\n","CCCNC(=O)COC(=O)c1ccccc1","O=C(OCC(=O)NCCC)c1ccccc1","",1,"ACETAMIDE, 2-(BENZOYLOXY)-N-PROPYL-(1)","106231-51-0(1)","5503","Medium Reliability"]
[632,"CCOc1ccc(cc1)N(C(C)=O)C(C)=O\n\n\n","CCOc1ccc(cc1)N(C(=O)C)C(=O)C","O=C(N(c1ccc(OCC)cc1)C(=O)C)C","",1,"Acetamide, N-acetyl-N-(4-ethoxyphenyl)-(1)","7174-45-0(1)","3819","Medium Reliability"]
[633,"CC(CCC(O)=O)N=C(O)c1ccccc1\nCC(CCC(O)=O)NC(=O)c1ccccc1\n\n","CC(N=C(c1ccccc1)O)CCC(=O)O","O=C(O)CCC(N=C(O)c1ccccc1)C","",1,"Valeric acid, 4-(benzamido)-(1)","105900-63-8(1)","5494","Medium Reliability"]
[634,"CN(CCO)C(=O)COC(=O)c1ccccc1O\n\n\n","OCCN(C(=O)COC(=O)c1ccccc1O)C","O=C(OCC(=O)N(C)CCO)c1ccccc1(O)","",1,"BENZOIC ACID, 2-HYDROXY-, 2-[(2-HYDROXYETHYL)MET(1)","114665-09-7(1)","5583","Medium Reliability","Checked on PubChem"]
[635,"CCCCN(C)C(=O)Nc1cc(Cl)c(Cl)cc1\n\n\n","CCCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C","O=C(Nc1ccc(c(c1)Cl)Cl)N(C)CCCC","",1,"NEBURON(1)","555-37-3(1)","2148","High Reliability"]
[636,"CCN(CC)C(=O)SCc1ccc(Cl)cc1\n\n\n","CCN(C(=O)SCc1ccc(cc1)Cl)CC","O=C(N(CC)CC)SCc1ccc(cc1)Cl","",1,"THIOBENCARB(1)","28249-77-6(1)","4460","High Reliability"]
[637,"CCN(CC)C(=O)SCc1ccccc1Cl\n\n\n","CCN(C(=O)SCc1ccccc1Cl)CC","O=C(N(CC)CC)SCc1ccccc1Cl","",1,"ORBENCARB(1)","34622-58-7(1)","4592","High Reliability"]
[638,"CCC(N)Cc1c[nH]c2ccccc12\nCCC(N)Cc1c[nH]c2ccccc12.CC(O)=O\n\n","CCC(Cc1c[nH]c2c1cccc2)N","NC(Cc2c[nH]c1ccccc12)CC","",1,"1H-INDOLE-3-ETHANAMINE, .alpha.-ETHYL-(1)","2235-90-7(1)","3141","Medium Reliability"]
[639,"CCN(CC)C(C#N)c1ccccc1\n\n\n","CCN(C(c1ccccc1)C#N)CC","N#CC(c1ccccc1)N(CC)CC","",1,"Benzeneacetonitrile, .alpha.-(diethylamino)-(1)","5097-99-4(1)","3560","High Reliability"]
[640,"[H]C12CC(CN(C)C1)Cn3c(=O)cccc23\nCN1CC2CC(C1)c3cccc(=O)n3C2\n\n","CN1CC2CC(C1)c1n(C2)c(=O)ccc1","O=C1C=CC=C2N1CC3CN(C)CC2C3","",1,"Caulophylline(1)","486-86-2(1)","1864","High Reliability","Stereochemistry removed"]
[641,"OC(=NC1CCCCC1)c2cnccc2\nO=C(NC1CCCCC1)c2cccnc2\n\n","OC(=NC1CCCCC1)c1cccnc1","OC(=NC1CCCCC1)c2cnccc2","",1,"3-Pyridinecarboxamide, N-cyclohexyl-(1)","10354-56-0(1)","3915","High Reliability"]
[642,"CN(C)C(=O)c1ccc(cc1)C(=O)N(C)C\n\n\n","CN(C(=O)c1ccc(cc1)C(=O)N(C)C)C","O=C(c1ccc(cc1)C(=O)N(C)C)N(C)C","",1,"1,4-Benzenedicarboxamide, N,N,N',N'-tetramethyl-(1)","13158-31-1(1)","3957","High Reliability"]
[643,"CN(C)C(=O)c1cc(ccc1)C(=O)N(C)C\n\n\n","CN(C(=O)c1cccc(c1)C(=O)N(C)C)C","O=C(c1cccc(c1)C(=O)N(C)C)N(C)C","",1,"1,3-Benzenedicarboxamide, N,N,N',N'-tetramethyl-(1)","14334-36-2(1)","4029","Medium Reliability"]
[644,"CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2\n\n\n","CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(C2=CCCCC2)CC","",1,"CYCLOBARBITAL(1)","52-31-3(1)","59","High Reliability"]
[645,"CCNC(=O)C(C)OC(=O)Nc1ccccc1\n\n\n","CCNC(=O)C(OC(=O)Nc1ccccc1)C","O=C(OC(C(=O)NCC)C)Nc1ccccc1","",1,"Carbetamide(1)","16118-49-3(1)","4093","High Reliability","Stereochemistry removed"]
[646,"CC=CCC1(CC=CC)C(=O)NC(=O)NC1=O\n\n\n","CC=CCC1(CC=CC)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC=CC)CC=CC","",1,"Barbituric acid, 5,5-di-2-butenyl-(1)","14010-10-7(1)","4006","Medium Reliability","Stereochemistry removed"]
[647,"CCOP(=S)(OCC)Oc1nn(cn1)-c2ccccc2\n\n\n","CCOP(=S)(Oc1ncn(n1)c1ccccc1)OCC","n1cn(nc1OP(OCC)(OCC)=S)c2ccccc2","",1,"TRIAZOPHOS(1)","24017-47-8(1)","4354","High Reliability"]
[648,"CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O\n\n\n","CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC","O=C1c2ccccc2(N=NN1CSP(OCC)(OCC)=S)","",1,"AZINPHOS ETHYL(1)","2642-71-9(1)","3268","High Reliability"]
[649,"CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C(C)(C)C","O=S(=O)(Nc1nnc(C(C)(C)C)s1)c2ccc(N)cc2","",1,"Glybuthiazole(1)","535-65-9(1)","2034","High Reliability"]
[650,"CC(CCC(O)=O)(N=NC(C)(CCC(O)=O)C#N)C#N\nCC(CCC([O-])=O)(N=NC(C)(CCC([O-])=O)C#N)C#N\n\n","N#CC(N=NC(C#N)(CCC(=O)O)C)(CCC(=O)O)C","N#CC(N=NC(C#N)(C)CCC(=O)O)(C)CCC(=O)O","",1,"4,4'-Dicyano-4,4'azo-di-valeric acid(1)","2638-94-0(1)","3267","Medium Reliability","Stereochemistry removed"]
[651,"Oc1ccc(cc1)C2CCCCC2\n\n\n","Oc1ccc(cc1)C1CCCCC1","Oc1ccc(cc1)C2CCCCC2","",1,"P-CYCLOHEXYLPHENOL(1)","1131-60-8(1)","2850","High Reliability"]
[652,"Oc1cc(O)c(cc1)C2CCCCC2\nOc1ccc(C2CCCCC2)c(O)c1\n\n","Oc1ccc(c(c1)O)C1CCCCC1","Oc1ccc(c(O)c1)C2CCCCC2","",1,"1,3-Benzenediol, 4-cyclohexyl-(1)","2138-20-7(1)","3105","High Reliability"]
[653,"OC(=O)CCCCCc1ccccc1\n\n\n","OC(=O)CCCCCc1ccccc1","O=C(O)CCCCCc1ccccc1","",1,"6-PHENYLCAPROIC ACID(1)","5581-75-9(1)","3632","Medium Reliability"]
[654,"CCCCCOC(=O)c1ccc(O)cc1\n\n\n","CCCCCOC(=O)c1ccc(cc1)O","O=C(OCCCCC)c1ccc(O)cc1","",1,"Benzoic acid, 4-hydroxy-, pentyl ester(1)","6521-29-5(1)","3763","High Reliability"]
[655,"CC(C)CCOC(=O)c1c(O)cccc1\nCC(C)CCOC(=O)c1ccccc1O\n\n","CC(CCOC(=O)c1ccccc1O)C","O=C(OCCC(C)C)c1ccccc1(O)","",1,"Benzoic acid, 2-hydroxy-, 3-methylbutyl ester(1)","87-20-7(1)","583","High Reliability"]
[656,"CCS(=O)(=O)Oc1cc2c(OCC2(C)C)cc1\nCCS(=O)(=O)Oc1ccc2OCC(C)(C)c2c1\n\n","CCS(=O)(=O)Oc1ccc2c(c1)C(C)(C)CO2","O=S(=O)(Oc1ccc2OCC(c2(c1))(C)C)CC","",1,"BENFURESATE(1)","68505-69-1(1)","5111","High Reliability"]
[657,"OCC1OC(Oc2ccccc2)C(O)C(O)C1O\n\n\n","OCC1OC(Oc2ccccc2)C(C(C1O)O)O","OCC2OC(Oc1ccccc1)C(O)C(O)C2(O)","",1,"BETA-D-GLUCOPYRANOSIDE, PHENYL(1)","1464-44-4(1)","2910","High Reliability","Stereochemistry removed"]
[658,"[Cl-].Cc1c(CCO)sc[n+]1Cc2cnc(C)nc2N\n\n\n","OCCc1sc[n+](c1C)Cc1cnc(nc1N)C","OCCc1c([n+](cs1)Cc2cnc(nc2(N))C)C","",1,"Thiamine(1)","59-43-8(1)","167","High Reliability"]
[659,"CCCCCCOC(=O)c1cnccc1\n\n\n","CCCCCCOC(=O)c1cccnc1","O=C(OCCCCCC)c1cnccc1","",1,"N-HEXYL NICOTINOATE(1)","23597-82-2(1)","4346","Medium Reliability"]
[660,"CCCCCOC(=O)c1ccc(N)cc1\n\n\n","CCCCCOC(=O)c1ccc(cc1)N","O=C(OCCCCC)c1ccc(N)cc1","",1,"BENZOIC ACID, 4-AMINO-,PENTY ESTER(1)","13110-37-7(1)","3952","Medium Reliability"]
[661,"CNC(=O)Oc1cc(cc(C)c1)C(C)C\n\n\n","CNC(=O)Oc1cc(C)cc(c1)C(C)C","O=C(Oc1cc(cc(c1)C(C)C)C)NC","",1,"3-I-PR-5-MEPHENYL-N-ME CARBAMATE(1)","2631-37-0(1)","3260","Medium Reliability"]
[662,"CN(CCCCC(O)=O)S(=O)(=O)c1ccccc1\n\n\n","CN(S(=O)(=O)c1ccccc1)CCCCC(=O)O","O=C(O)CCCCN(C)S(=O)(=O)c1ccccc1","",1,"Valeric acid, 5-(benzenesulfonyl-methyl-amino)-(1)","46855-40-7(1)","4772","Medium Reliability"]
[663,"CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1\n\n\n","CCOC(=O)C(c1ccccc1)SP(=S)(OC)OC","O=C(OCC)C(c1ccccc1)SP(OC)(OC)=S","",1,"FENTHOATE(1)","2597-03-7(1)","3250","High Reliability"]
[664,"CCCCCCc1ccccc1\n\n\n","CCCCCCc1ccccc1","c1ccc(cc1)CCCCCC","",1,"N-HEXYLBENZENE(1)","1077-16-3(1)","2816","High Reliability"]
[665,"Cc1c(C)c(C)c(C)c(C)c1C\n\n\n","Cc1c(C)c(C)c(c(c1C)C)C","c1(c(c(c(c(c1C)C)C)C)C)C","",1,"HEXAMETHYLBENZENE(1)","87-85-4(1)","600","High Reliability"]
[666,"CC(C)c1ccccc1C(C)C\n\n\n","CC(c1ccccc1C(C)C)C","c1ccc(c(c1)C(C)C)C(C)C","",1,"DIISOPROPYLBENZENE(1)","25321-09-9(1)","4391","Medium Reliability","Checked on PubChem"]
[667,"BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br\n\n\n","BrC1CCC(Br)C(Br)CCC(C(CCC1Br)Br)Br","C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br","",1,"1,2,5,6,9,10-HEXABROMOCYCLODODECANE(1)","3194-55-6(1)","3345","High Reliability"]
[668,"COCC(C)N(C(=O)CCl)c1c(C)scc1C\n\n\n","COCC(N(c1c(C)csc1C)C(=O)CCl)C","O=C(N(c1c(csc1C)C)C(C)COC)CCl","",1,"DIMETHENAMID(1)","87674-68-8(1)","5320","High Reliability"]
[669,"CCCCCCN=C(O)c1cnccc1\nCCCCCCNC(=O)c1cccnc1\n\n","CCCCCCN=C(c1cccnc1)O","OC(=NCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxamide, N-hexyl-(1)","78114-56-4(1)","5247","Medium Reliability"]
[670,"CC(C)c1ccc(NC(=O)N(C)C)cc1\n\n\n","O=C(N(C)C)Nc1ccc(cc1)C(C)C","O=C(Nc1ccc(cc1)C(C)C)N(C)C","",1,"ISOPROTURON(1)","34123-59-6(1)","4579","High Reliability"]
[671,"CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1\n\n\n","CNC(=O)Oc1cc(C)c(c(c1)C)N(C)C","O=C(Oc1cc(c(c(c1)C)N(C)C)C)NC","",1,"MEXACARBATE(1)","315-18-4(1)","1722","High Reliability"]
[672,"CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O\n\n\n","CCCC(C1(CC=C)C(=O)NC(=S)NC1=O)C","O=C1NC(NC(=O)C1(CC=C)C(C)CCC)=S","",1,"THIAMYLAL(1)","77-27-0(1)","414","High Reliability"]
[673,"CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1\n\n\n","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C","O=C(NCCCC)NS(=O)(=O)c1ccc(cc1)C","",1,"TOLBUTAMIDE(1)","64-77-7(1)","231","High Reliability"]
[674,"CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O\n\n\n","CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC","O=[N+]([O-])c1cc(cc(c1N(CCC)CCC)[N+](=O)[O-])S(=O)(=O)N","",1,"ORYZALIN(1)","19044-88-3(1)","4215","High Reliability"]
[675,"O=C1CCCCC1C2=CCCCC2\n\n\n","O=C1CCCCC1C1=CCCCC1","O=C1CCCCC1C2=CCCCC2","",1,"CYCLOHEXANONE, 2-(1-CYCLOHEXEN-1-YL)-(1)","1502-22-3(1)","2916","High Reliability"]
[676,"CCCCCCc1c(O)cc(O)cc1\nCCCCCCc1ccc(O)cc1O\n\n","CCCCCCc1ccc(cc1O)O","Oc1ccc(c(O)c1)CCCCCC","",1,"4-HEXYLRESORCINOL(1)","136-77-6(1)","1529","High Reliability"]
[677,"CNP(=O)(OC)Oc1ccc(cc1Cl)C(C)(C)C\n\n\n","CNP(=O)(Oc1ccc(cc1Cl)C(C)(C)C)OC","O=P(Oc1ccc(cc1Cl)C(C)(C)C)(OC)NC","",1,"CRUFOMATE(1)","299-86-5(1)","1700","High Reliability"]
[678,"CCCSP(=S)(OCC)Oc1ccc(SC)cc1\n\n\n","CCCSP(=S)(Oc1ccc(cc1)SC)OCC","O(c1ccc(cc1)SC)P(OCC)(=S)SCCC","",1,"SULPROFOS(1)","35400-43-2(1)","4613","Medium Reliability"]
[679,"CCCCC1(CCCC)C(=O)NC(=O)NC1=O\n\n\n","CCCCC1(CCCC)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CCCC)CCCC","",1,"barbituricacid,5,5-dibutyl-(1)","17013-41-1(1)","4128","Medium Reliability","Name verified in PubChem"]
[680,"CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C\n\n\n","O=c1nc(N(C)C)n(c(=O)n1C1CCCCC1)C","O=C1N=C(N(C(=O)N1C2CCCCC2)C)N(C)C","",1,"HEXAZINONE(1)","51235-04-2(1)","4806","Medium Reliability"]
[681,"CSc1nnc(c(=O)n1N=CC(C)C)C(C)(C)C\n\n\n","CSc1nnc(c(=O)n1N=CC(C)C)C(C)(C)C","O=C1C(=NN=C(N1(N=CC(C)C))SC)C(C)(C)C","",1,"Isomethiozin(1)","57052-04-7(1)","4939","High Reliability","Stereochemistry removed"]
[682,"OCC1OC2(COC3(CO2)OC(CO)C(O)C3O)C(O)C1O\n\n\n","OCC1OC2(C(C1O)O)COC1(CO2)OC(C(C1O)O)CO","OCC3OC1(OCC2(OC1)(OC(CO)C(O)C2(O)))C(O)C3(O)","",1,"Di-D-fructofuranose 1,2':2,1'-dianhydride(1)","3568-49-8(1)","3397","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[683,"CCCCOC(=O)C=CC(=O)OCCCC\n\n\n","CCCCOC(=O)C=CC(=O)OCCCC","O=C(OCCCC)C=CC(=O)OCCCC","",1,"DIBUTYL MALEATE(1)","105-76-0(1)","984","High Reliability","Stereochemistry removed"]
[684,"CCC(=O)OCC(COC(=O)CC)OC(=O)CC\n\n\n","CCC(=O)OC(COC(=O)CC)COC(=O)CC","O=C(OCC(OC(=O)CC)COC(=O)CC)CC","",1,"TRIPROPIONIN(1)","139-45-7(1)","1546","High Reliability"]
[685,"CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC\n\n\n","CCOC(=O)C(CC(=O)OCC)(CC(=O)OCC)O","O=C(OCC)CC(O)(C(=O)OCC)CC(=O)OCC","",1,"TRIETHYL CITRATE(1)","77-93-0(1)","428","High Reliability"]
[686,"CCOP(=S)(OCC)Oc1nc(nc(C)c1)C(C)C\nCCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C\n\n","CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC","n1c(OP(OCC)(OCC)=S)cc(nc1C(C)C)C","",1,"DIAZINON(1)","333-41-5(1)","1741","Medium Reliability"]
[687,"CCCc1nc(CCC)c(CC)c(=N)[nH]1\nCCCc1nc(N)c(CC)c(CCC)n1\n\n","CCCc1nc(CCC)c(c(=N)[nH]1)CC","N=C1NC(=NC(=C1CC)CCC)CCC","",1,"4-Pyrimidinamine, 5-ethyl-2,6-dipropyl-(1)","109217-08-5(1)","5552","Medium Reliability"]
[688,"CCCCCCN1CC(CC1=O)C(=O)OC\n\n\n","CCCCCCN1CC(CC1=O)C(=O)OC","O=C(OC)C1CC(=O)N(CCCCCC)C1","",1,"1-HEXYL-4-METHOXYCARBONYL-2-PYRROLIDONE(1)","71548-53-3(1)","5162","High Reliability","Checked on PubChem, Checked on ChemID"]
[689,"COC(CN(C)C(=O)Nc1nnc(s1)C(C)(C)C)OC\n\n\n","COC(CN(C(=O)Nc1nnc(s1)C(C)(C)C)C)OC","O=C(Nc1nnc(C(C)(C)C)s1)N(C)CC(OC)OC","",1,"VEL 3510(1)","51461-71-3(1)","4812","High Reliability"]
[690,"OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O\n\n\n","OCC1OC(OCC2OC(O)C(C(C2O)O)O)C(C(C1O)O)O","OCC2OC(OCC1OC(O)C(O)C(O)C1(O))C(O)C(O)C2(O)","",1,"MELIBIOSE(1)","585-99-9(1)","2255","Medium Reliability","Checked on PubChem"]
[691,"[H]C1(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)OC1CO\nOCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O\nOCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O\n","OCC1OC(O)C(C(C1OC1OC(CO)C(C(C1O)O)O)O)O","OCC2OC(OC1C(O)C(O)C(O)OC1(CO))C(O)C(O)C2(O)","",2,"LACTOSE(1), MALTOSE(1)","63-42-3(1), 69-79-4(1)","218, 270","High Reliability","Stereochemistry removed"]
[692,"OCC1OC(O)(CO)C(O)C1OC2OC(CO)C(O)C(O)C2O\n\n\n","OCC1OC(C(C1OC1OC(CO)C(C(C1O)O)O)O)(O)CO","OCC2OC(OC1C(OC(O)(CO)C1(O))CO)C(O)C(O)C2(O)","",1,"LACTULOSE(1)","4618-18-2(1)","3516","High Reliability","Stereochemistry removed"]
[693,"OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O\n\n\n","OCC1OC(C(C1O)O)(CO)OC1OC(CO)C(C(C1O)O)O","OCC2OC(OC1(OC(CO)C(O)C1(O))(CO))C(O)C(O)C2(O)","",1,"SUCROSE(1)","57-50-1(1)","129","High Reliability","Stereochemistry removed"]
[694,"CC(C)(CCC(C)(C)CC(O)=O)CC(O)=O\n\n\n","OC(=O)CC(CCC(CC(=O)O)(C)C)(C)C","O=C(O)CC(C)(C)CCC(C)(C)CC(=O)O","",1,"Octanedioic acid, 3,3,6,6-tetramethyl-(1)","23578-38-3(1)","4345","Medium Reliability"]
[695,"COC(=O)CCCCCCCCC(=O)OC\n\n\n","COC(=O)CCCCCCCCC(=O)OC","O=C(OC)CCCCCCCCC(=O)OC","",1,"Decanedioic acid, dimethyl ester(1)","106-79-6(1)","1012","High Reliability"]
[696,"CCCCCCCCCC(C(O)=O)C(O)=O\n\n\n","CCCCCCCCCC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)CCCCCCCCC","",1,"Propanedioic acid, nonyl-(1)","3578-47-0(1)","3401","Medium Reliability"]
[697,"CCOC(=O)CCCCCCC(=O)OCC\n\n\n","CCOC(=O)CCCCCCC(=O)OCC","O=C(OCC)CCCCCCC(=O)OCC","",1,"DIETHYL SUBERATE(1)","2050-23-9(1)","3077","High Reliability"]
[698,"CCCCOC(=O)CCC(=O)OCCCC\n\n\n","CCCCOC(=O)CCC(=O)OCCCC","O=C(OCCCC)CCC(=O)OCCCC","",1,"Butanedioic acid, dibutyl ester(1)","141-03-7(1)","1561","High Reliability"]
[699,"CCC(CC)(C(O)=O)C(CC)(CC)C(O)=O\n\n\n","CCC(C(C(=O)O)(CC)CC)(C(=O)O)CC","O=C(O)C(CC)(CC)C(C(=O)O)(CC)CC","",1,"Butanedioic acid, tetraethyl-(1)","4111-60-8(1)","3461","Medium Reliability","Checked on PubChem"]
[700,"OC(=O)CCCCCCCCCCC(O)=O\n\n\n","OC(=O)CCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCC(=O)O","",1,"Dodecanedioic acid(1)","693-23-2(1)","2637","High Reliability"]
[701,"CCCCOC(=O)CC(O)C(=O)OCCCC\n\n\n","CCCCOC(=O)CC(C(=O)OCCCC)O","O=C(OCCCC)CC(O)C(=O)OCCCC","",1,"Malic acid dibutyl ester(1)","1587-18-4(1)","2935","Medium Reliability"]
[702,"COCCOC(=O)CCCCC(=O)OCCOC\n\n\n","COCCOC(=O)CCCCC(=O)OCCOC","O=C(OCCOC)CCCCC(=O)OCCOC","",1,"Hexanedioic acid, bis(2-methoxyethyl) ester(1)","106-00-3(1)","985","High Reliability"]
[703,"O=C1CCCCCCCCCCCN1\n\n\n","O=C1CCCCCCCCCCCN1","O=C1NCCCCCCCCCCC1","",1,"AZACYCLOTRIDECAN-2-ONE(1)","947-04-6(1)","2769","High Reliability"]
[704,"CCCN(CCC)C(=O)CCC(=O)OCC\n\n\n","CCCN(C(=O)CCC(=O)OCC)CCC","O=C(OCC)CCC(=O)N(CCC)CCC","",1,"Succinamic acid, N,N'-dipropyl-, ethyl ester(1)","10143-31-4(1)","3903","Medium Reliability"]
[705,"C(CN1CCCCC1)N2CCCCC2\n\n\n","C1CCN(CC1)CCN1CCCCC1","N2(CCN1CCCCC1)CCCCC2","",1,"Piperidine, 1,1'-(1,2-ethanediyl)bis-(1)","1932-04-3(1)","3041","High Reliability"]
[706,"CCCCC(=O)NCCNC(=O)CCCC\n\n\n","CCCCC(=O)NCCNC(=O)CCCC","O=C(NCCNC(=O)CCCC)CCCC","",1,"Pentanamide, N,N'-1,2-ethanediylbis-(1)","54535-60-3(1)","4892","High Reliability"]
[707,"CCCC(C)(COC(N)=O)COC(=O)NC(C)C\n\n\n","CCCC(COC(=O)N)(COC(=O)NC(C)C)C","O=C(OCC(C)(COC(=O)NC(C)C)CCC)N","",1,"Carisoprodol(1)","78-44-4(1)","435","High Reliability"]
[708,"OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO\n\n\n","OCC(C(C(C(CO)O)O)OC1OC(CO)C(C(C1O)O)O)O","OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1(O))C(O)CO","",1,"Lactitol(1)","585-86-4(1)","2254","High Reliability","Stereochemistry removed"]
[709,"CCCCCCCCCCCC(O)=O\n\n\n","CCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCC","",1,"DODECANOIC ACID(1)","143-07-7(1)","1592","High Reliability"]
[710,"CCCCCCCCCC(=O)OCC\n\n\n","CCCCCCCCCC(=O)OCC","O=C(OCC)CCCCCCCCC","",1,"ETHYL DECANOATE(1)","110-38-3(1)","1168","High Reliability"]
[711,"CCCCCCCCCCCC\n\n\n","CCCCCCCCCCCC","CCCCCCCCCCCC","",1,"DODECANE(1)","112-40-3(1)","1254","High Reliability"]
[712,"CCCCCCCCCCCCO\n\n\n","CCCCCCCCCCCCO","OCCCCCCCCCCCC","",1,"DODECANOL(1)","112-53-8(1)","1258","High Reliability"]
[713,"CCCCOCCOCCOCCCC\n\n\n","CCCCOCCOCCOCCCC","O(CCOCCCC)CCOCCCC","",1,"DIETHYLENE GLYCOL DIBUTYL ETHER(1)","112-73-2(1)","1264","High Reliability"]
[714,"CCC(CO)(CO)COCC(CC)(CO)CO\n\n\n","CCC(COCC(CO)(CO)CC)(CO)CO","OCC(CO)(COCC(CO)(CO)CC)CC","",1,"DI(TRIMETHYLOLPROPANE)(1)","23235-61-2(1)","4340","High Reliability"]
[715,"CCCCCCCCCCCCN\n\n\n","CCCCCCCCCCCCN","NCCCCCCCCCCCC","",1,"N-DODECYLAMINE(1)","124-22-1(1)","1444","High Reliability"]
[716,"CCCCCCNCCCCCC\n\n\n","CCCCCCNCCCCCC","N(CCCCCC)CCCCCC","",1,"1-Hexanamine, N-hexyl-(1)","143-16-8(1)","1594","High Reliability"]
[717,"CCCCN(CCCC)CCCC\n\n\n","CCCCN(CCCC)CCCC","N(CCCC)(CCCC)CCCC","",1,"TRI N-BUTYLAMINE(1)","102-82-9(1)","925","Medium Reliability"]
[718,"CCC(O)CN(CC(O)CC)CC(O)CC\n\n\n","CCC(CN(CC(CC)O)CC(CC)O)O","OC(CN(CC(O)CC)CC(O)CC)CC","",1,"Tri-sec-butanolamine(1)","2421-02-5(1)","3197","High Reliability","Checked on PubChem, Checked on ChemID"]
[719,"CCOC(CNCC(OCC)OCC)OCC\n\n\n","CCOC(CNCC(OCC)OCC)OCC","O(CC)C(OCC)CNCC(OCC)OCC","",1,"Ethanamine, N-(2,2-diethoxyethyl)-2,2-diethoxy-(1)","67856-69-3(1)","5091","High Reliability"]
[720,"CCCCOP(=O)(CCCC)CCCC\n\n\n","CCCCOP(=O)(CCCC)CCCC","O=P(OCCCC)(CCCC)CCCC","",1,"Phosphinic acid, dibutyl-, butyl ester(1)","2950-47-2(1)","3302","Medium Reliability"]
[721,"CCCCOP(=O)(CCCC)OCCCC\n\n\n","CCCCP(=O)(OCCCC)OCCCC","O=P(OCCCC)(OCCCC)CCCC","",1,"DIBUTYL BUTYLPHOSPHONATE(1)","78-46-6(1)","436","High Reliability"]
[722,"CCCCOP(=O)(OCCCC)OCCCC\n\n\n","CCCCOP(=O)(OCCCC)OCCCC","O=P(OCCCC)(OCCCC)OCCCC","",1,"TRIBUTYLPHOSPHATE(1)","126-73-8(1)","1463","High Reliability"]
[723,"CCCCP(=O)(CCCC)CCCC\n\n\n","CCCCP(=O)(CCCC)CCCC","O=P(CCCC)(CCCC)CCCC","",1,"Tributylphosphine Oxide(1)","814-29-9(1)","2694","High Reliability"]
[724,"CCCCSP(=O)(SCCCC)SCCCC\n\n\n","CCCCSP(=O)(SCCCC)SCCCC","O=P(SCCCC)(SCCCC)SCCCC","",1,"TRIBUFOS(1)","78-48-8(1)","437","High Reliability"]
[725,"CCN(CC)CCSCCN(CC)CC\n\n\n","CCN(CCSCCN(CC)CC)CC","N(CC)(CC)CCSCCN(CC)CC","",1,"Ethanamine, 2,2'-thiobis[N,N-diethyl-(1)","6006-58-2(1)","3689","High Reliability"]
[726,"Brc1ccc(c(Br)c1Br)-c2c(Br)c(Br)c(Br)c(Br)c2Br\n\n\n","Brc1ccc(c(c1Br)Br)c1c(Br)c(Br)c(c(c1Br)Br)Br","c1cc(c(c(c1c2c(c(c(c(c2Br)Br)Br)Br)Br)Br)Br)Br","",1,"1,1'-Biphenyl, Octabromo-(1)","27858-07-7(1)","4453","Medium Reliability","Checked on ChemID"]
[727,"Clc1c(Cl)cc2Oc3c(Oc2c1)c(Cl)c(Cl)c(Cl)c3Cl\nClc1cc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2cc1Cl\n\n","Clc1cc2Oc3c(Oc2cc1Cl)c(Cl)c(c(c3Cl)Cl)Cl","O1c3cc(c(cc3(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl))Cl)Cl","",1,"1,2,3,4,7,8-HEXACHLORODIBENZO-P-DIOXIN(1)","39227-28-6(1)","4706","High Reliability"]
[728,"Clc1ccc(Cl)c(c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n\n","Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)c1c(Cl)ccc(c1Cl)Cl","c2cc(c(c(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,3',4,5,6,6'-octachloro-(1)","52663-73-7(1)","4851","High Reliability"]
[729,"Clc1cc(Cl)c(Cl)c(c1Cl)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1c(Cl)cc(c(c1c1c(Cl)c(Cl)cc(c1Cl)Cl)Cl)Cl","c2c(c(c(c1c(c(cc(c1Cl)Cl)Cl)Cl)c(c2Cl)Cl)Cl)Cl","",1,"2,2',3,3',5,5',6,6'-OCTACHLOROBIPHENYL(1)","2136-99-4(1)","3104","High Reliability"]
[730,"Clc1cc(Cl)c(c(Cl)c1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n\n","Clc1cc(Cl)c(c(c1)Cl)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl","c2c(cc(c(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,4,4',5,6,6'-octachloro-(1)","74472-52-9(1)","5206","High Reliability"]
[731,"Clc1cc(c(Cl)c(Cl)c1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\nClc1cc(Cl)c(Cl)c(c1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl","c2c(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c(c(cc2Cl)Cl)Cl","",1,"2,2',3,3',4,5,5',6-OCTACHLOROBIPHENYL(1)","68194-17-2(1)","5107","High Reliability"]
[732,"Clc1cc(Cl)c(Cl)c(Cl)c1-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1cc(Cl)c(c(Cl)c1Cl)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1c1c(Cl)cc(c(c1Cl)Cl)Cl)Cl)Cl","c2c(c(c1c(cc(c(c1Cl)Cl)Cl)Cl)c(c(c2Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,3',4,4',6,6'-octachloro-(1)","33091-17-7(1)","4555","High Reliability"]
[733,"Clc1cc(Cl)c(Cl)c(c1Cl)-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1cc(Cl)c(c(Cl)c1Cl)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1Cl)Cl)c1c(Cl)c(Cl)cc(c1Cl)Cl","c2c(c(c1c(c(cc(c1Cl)Cl)Cl)Cl)c(c(c2Cl)Cl)Cl)Cl","",1,"2,2',3,3',4,5',6,6'-OCTACHLOROBIPHENYL(1)","40186-71-8(1)","4728","High Reliability"]
[734,"Clc1cc(cc(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n\n","Clc1c(Cl)cc(cc1Cl)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl","c1c(cc(c(c1Cl)Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,3',4,4',5,5',6-octachloro-(1)","74472-53-0(1)","5207","High Reliability"]
[735,"Clc1cc(c(Cl)c(Cl)c1Cl)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1c(Cl)cc(c(c1Cl)Cl)c1c(Cl)c(Cl)cc(c1Cl)Cl","c2c(c1c(c(cc(c1Cl)Cl)Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl","",1,"2,2',3,3',4,5,5',6'-OCTACHLOROBIPHENYL(1)","52663-75-9(1)","4853","High Reliability"]
[736,"Clc1c(Cl)c(Cl)c(cc1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\nClc1ccc(c(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1ccc(c(c1Cl)Cl)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl","c1cc(c(c(c1c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,3',4,4',5,6-OCTACHLOROBIPHENYL(1)","52663-78-2(1)","4856","High Reliability"]
[737,"Clc1cc(Cl)c(cc1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n\n","Clc1cc(Cl)c(cc1c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl","c2c(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c(cc(c2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,4,4',5,5',6-octachloro-(1)","52663-76-0(1)","4854","High Reliability"]
[738,"Clc1cc(c(Cl)c(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1cc(Cl)c(c(Cl)c1Cl)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1c1cc(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl","c2c(c1c(cc(c(c1Cl)Cl)Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl","",1,"2,2',3,3',4,4',5,6'-OCTACHLOROBIPHENYL(1)","42740-50-1(1)","4765","High Reliability"]
[739,"Clc1cc(c(Cl)c(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2\nClc1cc(c(Cl)c(Cl)c1Cl)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1cc(c(c(c1Cl)Cl)Cl)c1cc(Cl)c(c(c1Cl)Cl)Cl","c2c(c1cc(c(c(c1Cl)Cl)Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl","",1,"2,2',3,3',4,4',5,5'-OCTACHLOROBIPHENYL(1)","35694-08-7(1)","4620","High Reliability"]
[740,"CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC\n\n\n","CCOP(=O)(OP(=O)(OCC)OCC)OP(=O)(OP(=O)(OCC)OCC)OCC","O=P(OCC)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC","",1,"HEXAETHYL TETRAPHOSPHATE(1)","757-58-4(1)","2669","High Reliability","Checked on PubChem, Checked on ChemID"]
[741,"Clc1cc2c(cc1Cl)c3c(o2)c(Cl)c(Cl)c(Cl)c3\nClc1cc2oc3c(Cl)c(Cl)c(Cl)cc3c2cc1Cl\n\n","Clc1cc2c(cc1Cl)oc1c2cc(Cl)c(c1Cl)Cl","o2c1cc(c(cc1c3cc(c(c(c23)Cl)Cl)Cl)Cl)Cl","",1,"2,3,4,7,8-PENTACHLORODIBENZOFURAN(1)","57117-31-4(1)","4941","High Reliability"]
[742,"Clc1ccc2Oc3c(Oc2c1)c(Cl)c(Cl)c(Cl)c3Cl\nClc1ccc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2c1\n\n","Clc1ccc2c(c1)Oc1c(O2)c(Cl)c(c(c1Cl)Cl)Cl","O1c3ccc(cc3(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl))Cl","",1,"1,2,3,4,7-PENTACHLORODIBENZO-P-DIOXIN(1)","39227-61-7(1)","4710","High Reliability"]
[743,"Clc1ccc(Cl)c(c1Cl)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1c(Cl)cc(c(c1c1c(Cl)ccc(c1Cl)Cl)Cl)Cl","c2cc(c(c(c1c(c(cc(c1Cl)Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"2,2',3,3',5,6,6'-HEPTACHLOROBIPHENYL(1)","52663-64-6(1)","4843","High Reliability"]
[744,"Clc1cc(Cl)c(Cl)c(Cl)c1-c2c(Cl)ccc(Cl)c2Cl\nClc1ccc(Cl)c(c1Cl)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1Cl)Cl)c1c(Cl)ccc(c1Cl)Cl","c2cc(c(c(c1c(cc(c(c1Cl)Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,3',4,6,6'-heptachloro-(1)","52663-65-7(1)","4844","High Reliability"]
[745,"Clc1cc(Cl)c(cc1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\nClc1ccc(c(Cl)c1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1ccc(c(c1)Cl)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl","c1cc(cc(c1c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,4,4',5,6-heptachloro-(1)","74472-47-2(1)","5203","High Reliability"]
[746,"Clc1cc(c(Cl)cc1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\nClc1ccc(Cl)c(c1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1ccc(c(c1)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl","c1cc(c(cc1Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,4,5,5',6-HEPTACHLOROBIPHENYL(1)","52712-05-7(1)","4860","High Reliability"]
[747,"Clc1cc(c(Cl)c(Cl)c1)-c2c(Cl)c(Cl)cc(Cl)c2Cl\nClc1cc(Cl)c(Cl)c(c1)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1)c1c(Cl)c(Cl)cc(c1Cl)Cl)Cl","c2c(c1c(c(cc(c1Cl)Cl)Cl)Cl)c(c(cc2Cl)Cl)Cl","",1,"2,2',3,3',5,5',6-HEPTACHLOROBIPHENYL(1)","52663-67-9(1)","4845","High Reliability"]
[748,"Clc1cc(Cl)c(Cl)c(c1)-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1cc(Cl)c(Cl)c(c1)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1)c1c(Cl)cc(c(c1Cl)Cl)Cl)Cl","c2c(c1c(cc(c(c1Cl)Cl)Cl)Cl)c(c(cc2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,3',4,5',6-heptachloro-(1)","40186-70-7(1)","4727","High Reliability"]
[749,"Clc1cc(Cl)c(c(Cl)c1)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1cc(Cl)c(c(c1)Cl)c1c(Cl)c(Cl)cc(c1Cl)Cl","c2c(cc(c(c1c(c(cc(c1Cl)Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,4',5,6'-heptachloro-(1)","74487-85-7(1)","5208","Medium Reliability"]
[750,"Clc1cc(c(Cl)c(Cl)c1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2\nClc1cc(Cl)c(Cl)c(c1)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1)c1cc(Cl)c(c(c1Cl)Cl)Cl)Cl","c2c(c1cc(c(c(c1Cl)Cl)Cl)Cl)c(c(cc2Cl)Cl)Cl","",1,"2,2',3,3',4,5,5'-HEPTACHLOROBIPHENYL(1)","52663-74-8(1)","4852","High Reliability"]
[751,"Clc1cc(Cl)c(c(Cl)c1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2\nClc1cc(Cl)c(c(Cl)c1)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1)Cl)c1cc(Cl)c(c(c1Cl)Cl)Cl","c2c(c1c(cc(cc1Cl)Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,4,4',5,6'-heptachloro-(1)","60145-23-5(1)","4980","High Reliability"]
[752,"Clc1ccc(Cl)c(c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2\nClc1ccc(Cl)c(c1Cl)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1c(Cl)cc(c(c1Cl)Cl)c1c(Cl)ccc(c1Cl)Cl","c2cc(c(c(c1cc(c(c(c1Cl)Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"2,2',3,3',4,5,6'-HEPTACHLOROBIPHENYL(1)","38411-25-5(1)","4676","High Reliability"]
[753,"Clc1cc(cc(Cl)c1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n\n","Clc1cc(Cl)cc(c1)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl","c1c(cc(cc1Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,3',4,5,5',6-heptachloro-(1)","74472-51-8(1)","5205","High Reliability"]
[754,"Clc1cc(Cl)c(Cl)c(Cl)c1-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(c(Cl)c1Cl)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1c(Cl)cc(c(c1Cl)c1ccc(c(c1Cl)Cl)Cl)Cl","c1cc(c(c(c1c2c(cc(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,3',4,4',6-HEPTACHLOROBIPHENYL(1)","52663-71-5(1)","4849","High Reliability"]
[755,"Clc1cc(Cl)c(Cl)c(c1Cl)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(c(Cl)c1Cl)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n","Clc1ccc(c(c1Cl)Cl)c1c(Cl)c(Cl)cc(c1Cl)Cl","c1cc(c(c(c1c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,3',4,5',6'-heptachloro-(1)","52663-70-4(1)","4848","High Reliability"]
[756,"Clc1cc(Cl)c(cc1Cl)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1cc(Cl)c(cc1c1c(Cl)c(Cl)cc(c1Cl)Cl)Cl","c2c(c1c(c(cc(c1Cl)Cl)Cl)Cl)c(cc(c2Cl)Cl)Cl","",1,"2,2',3,4',5,5',6-HEPTACHLOROBIPHENYL(1)","52663-68-0(1)","4846","High Reliability"]
[757,"Clc1cc(Cl)c(cc1Cl)-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1cc(Cl)c(cc1Cl)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(cc1c1c(Cl)cc(c(c1Cl)Cl)Cl)Cl","c2c(c1c(cc(c(c1Cl)Cl)Cl)Cl)c(cc(c2Cl)Cl)Cl","",1,"2,2',3,4,4',5',6-Heptachlorobiphenyl(1)","52663-69-1(1)","4847","High Reliability"]
[758,"Clc1cc(cc(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)c1Cl\n\n","Clc1cc(Cl)c(c(c1c1cc(Cl)c(c(c1)Cl)Cl)Cl)Cl","c1c(cc(c(c1Cl)Cl)Cl)c2c(cc(c(c2Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,3',4,4',5',6-heptachloro-(1)","74472-50-7(1)","5204","High Reliability"]
[759,"Clc1cc(cc(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2\nClc1cc(cc(Cl)c1Cl)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1cc(cc(c1Cl)Cl)c1cc(Cl)c(c(c1Cl)Cl)Cl","c1c(cc(c(c1Cl)Cl)Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,3',4,4',5,5'-heptachloro-(1)","39635-31-9(1)","4719","High Reliability"]
[760,"Clc1cc(c(Cl)c(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(c(Cl)c1Cl)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1c(Cl)ccc(c1Cl)c1cc(Cl)c(c(c1Cl)Cl)Cl","c1cc(c(c(c1c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,3',4,4',5-HEPTACHLOROBIPHENYL(1)","35065-30-6(1)","4607","High Reliability"]
[761,"Clc1cc(Cl)c(cc1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2\nClc1cc(Cl)c(cc1Cl)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(cc1c1cc(Cl)c(c(c1Cl)Cl)Cl)Cl","c2c(c1cc(c(c(c1Cl)Cl)Cl)Cl)c(cc(c2Cl)Cl)Cl","",1,"2,2',3,4,4',5,5'-HEPTACHLOROBIPHENYL(1)","35065-29-3(1)","4606","High Reliability"]
[762,"Brc1cc2c(cc1Br)c3c(o2)cc(Br)c(Br)c3\nBrc1cc2oc3cc(Br)c(Br)cc3c2cc1Br\n\n","Brc1cc2c(cc1Br)oc1c2cc(Br)c(c1)Br","o2c1cc(c(cc1c3cc(c(cc23)Br)Br)Br)Br","",1,"Dibenzofuran, 2,3,7,8-tetrabromo-(1)","67733-57-7(1)","5086","High Reliability"]
[763,"Nc1c(c(nn1-c2c(Cl)cc(cc2Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F\n\n\n","N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F","N#Cc1nn(c(N)c1S(=O)C(F)(F)F)c2c(cc(cc2Cl)C(F)(F)F)Cl","",1,"Fipronil(1)","120068-37-3(1)","5636","Medium Reliability"]
[764,"Clc1cc2c(cc1Cl)c3cc(Cl)c(Cl)cc3o2\n\n\n","Clc1cc2c(cc1Cl)oc1c2cc(Cl)c(c1)Cl","o2c1cc(c(cc1c3cc(c(cc23)Cl)Cl)Cl)Cl","",1,"2,3,7,8-TETRACHLORODIBENZOFURAN(1)","51207-31-9(1)","4803","High Reliability"]
[765,"Clc1cc2c(Oc3c(Cl)c(Cl)c(Cl)cc3O2)cc1\n\n\n","Clc1ccc2c(c1)Oc1c(O2)c(Cl)c(c(c1)Cl)Cl","O1c3cc(ccc3(Oc2c1cc(c(c2Cl)Cl)Cl))Cl","",1,"1,2,3,7-TETRACHLORODIBENZODIOXIN(1)","67028-18-6(1)","5073","High Reliability"]
[766,"Clc1cc(Cl)c2Oc3cc(Cl)cc(Cl)c3Oc2c1\n\n\n","Clc1cc(Cl)c2c(c1)Oc1c(O2)cc(cc1Cl)Cl","O1c3cc(cc(c3(Oc2cc(cc(c12)Cl)Cl))Cl)Cl","",1,"1,3,6,8-TETRACHLORODIBENZO-P-DIOXIN(1)","33423-92-6(1)","4565","High Reliability","Checked on PubChem, Checked on ChemID"]
[767,"Clc1cc2c(Oc3c(O2)cc(Cl)c(Cl)c3)cc1Cl\n\n\n","Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl","O1c3cc(c(cc3(Oc2cc(c(cc12)Cl)Cl))Cl)Cl","",1,"2,3,7,8-TETRACHLORODIBENZO-P-DIOXIN(1)","1746-01-6(1)","2978","High Reliability"]
[768,"Clc1c(Cl)c2c(Oc3ccccc3O2)c(Cl)c1Cl\n\n\n","Clc1c2Oc3ccccc3Oc2c(c(c1Cl)Cl)Cl","O1c3ccccc3(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl)","",1,"1,2,3,4-TETRACHLORODIBENZO-P-DIOXIN(1)","30746-58-8(1)","4512","High Reliability"]
[769,"Clc1cc(Cl)c(c(Cl)c1)-c2c(Cl)cc(Cl)c(Cl)c2\nClc1cc(Cl)c(c(Cl)c1)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1cc(Cl)c(c(c1)Cl)c1cc(Cl)c(cc1Cl)Cl","c2c(c1c(cc(cc1Cl)Cl)Cl)c(cc(c2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',4,4',5,6'-hexachloro-(1)","60145-22-4(1)","4979","High Reliability"]
[770,"Clc1ccc(c(Cl)c1)-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1ccc(c(Cl)c1)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1ccc(c(c1)Cl)c1c(Cl)cc(c(c1Cl)Cl)Cl","c1cc(cc(c1c2c(cc(c(c2Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,4,4',6-Hexachlorobiphenyl(1)","56030-56-9(1)","4926","High Reliability"]
[771,"Clc1cc(c(Cl)cc1)-c2c(Cl)c(Cl)cc(Cl)c2Cl\nClc1ccc(Cl)c(c1)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n","Clc1ccc(c(c1)c1c(Cl)c(Cl)cc(c1Cl)Cl)Cl","c1cc(c(cc1Cl)c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,5,5',6-HEXACHLOROBIPHENYL(1)","52663-63-5(1)","4842","High Reliability"]
[772,"Clc1cc(c(Cl)cc1)-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1ccc(Cl)c(c1)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1ccc(c(c1)c1c(Cl)cc(c(c1Cl)Cl)Cl)Cl","c1cc(c(cc1Cl)c2c(cc(c(c2Cl)Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,4,5',6-hexachloro-(1)","68194-14-9(1)","5105","High Reliability"]
[773,"Clc1cc(c(Cl)cc1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2\nClc1ccc(Cl)c(c1)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1ccc(c(c1)c1cc(Cl)c(c(c1Cl)Cl)Cl)Cl","c1cc(c(cc1Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,4,5,5'-HEXACHLOROBIPHENYL(1)","52712-04-6(1)","4859","High Reliability"]
[774,"Clc1ccc(Cl)c(c1Cl)-c2c(Cl)c(Cl)ccc2Cl\nClc1ccc(Cl)c(c1Cl)-c2c(Cl)ccc(Cl)c2Cl\n\n","Clc1ccc(c(c1c1c(Cl)ccc(c1Cl)Cl)Cl)Cl","c2cc(c(c(c1c(ccc(c1Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"2,2',3,3',6,6'-HEXACHLOROBIPHENYL(1)","38411-22-2(1)","4675","High Reliability"]
[775,"Clc1cc(c(Cl)c(Cl)c1)-c2c(Cl)cc(Cl)c(Cl)c2\nClc1cc(Cl)c(Cl)c(c1)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1cc(Cl)c(c(c1)c1cc(Cl)c(cc1Cl)Cl)Cl","c2c(c1cc(c(cc1Cl)Cl)Cl)c(c(cc2Cl)Cl)Cl","",1,"2,2',3,4',5,5'-HEXACHLOROBIPHENYL(1)","51908-16-8(1)","4822","High Reliability"]
[776,"Clc1cc(Cl)c(c(Cl)c1)-c2c(Cl)cc(Cl)cc2Cl\n\n\n","Clc1cc(Cl)cc(c1c1c(Cl)cc(cc1Cl)Cl)Cl","c2c(cc(c(c1c(cc(cc1Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"2,2',4,4',6,6'-PCB(1)","33979-03-2(1)","4575","Medium Reliability"]
[777,"Clc1cc(c(Cl)c(Cl)c1)-c2c(Cl)c(Cl)ccc2Cl\nClc1cc(Cl)c(Cl)c(c1)-c2c(Cl)ccc(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1)c1c(Cl)ccc(c1Cl)Cl)Cl","c2cc(c(c(c1cc(cc(c1Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"2,2',3,3',5,6'-HEXACHLOROBIPHENYL(1)","52744-13-5(1)","4861","High Reliability"]
[778,"Clc1cc(Cl)c(c(Cl)c1)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1cc(Cl)c(c(Cl)c1)-c2ccc(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1)Cl)c1ccc(c(c1Cl)Cl)Cl","c1cc(c(c(c1c2c(cc(cc2Cl)Cl)Cl)Cl)Cl)Cl","",1,"Biphenyl, 2,2',3,4,4',6'-hexachloro-(1)","59291-64-4(1)","4972","Medium Reliability"]
[779,"Clc1ccc(Cl)c(c1Cl)-c2cc(Cl)c(Cl)c(Cl)c2\n\n\n","Clc1cc(cc(c1Cl)Cl)c1c(Cl)ccc(c1Cl)Cl","c2cc(c(c(c1cc(c(c(c1)Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,3',4',5',6-hexachloro-(1)","74472-45-0(1)","5201","High Reliability"]
[780,"Clc1cc(Cl)c(cc1Cl)-c2c(Cl)c(Cl)ccc2Cl\nClc1ccc(Cl)c(c1Cl)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1cc(Cl)c(cc1c1c(Cl)ccc(c1Cl)Cl)Cl","c2cc(c(c(c1cc(c(cc1Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"2,2',3,4',5',6-PCB(1)","38380-04-0(1)","4671","Medium Reliability"]
[781,"Clc1cc(cc(Cl)c1)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1cc(Cl)cc(c1)c1c(Cl)c(Cl)cc(c1Cl)Cl","c1c(cc(cc1Cl)Cl)c2c(c(cc(c2Cl)Cl)Cl)Cl","",1,"2,3,3',5,5',6-HEXACHLOROBIPHENYL(1)","74472-46-1(1)","5202","High Reliability"]
[782,"Clc1cc(c(Cl)c(Cl)c1Cl)-c2c(Cl)cccc2Cl\n\n\n","Clc1cc(c(c(c1Cl)Cl)Cl)c1c(Cl)cccc1Cl","c2cc(c(c1cc(c(c(c1Cl)Cl)Cl)Cl)c(c2)Cl)Cl","",1,"2,2',3,4,5,6'-HEXACHLOROBIPHENYL(1)","68194-15-0(1)","5106","High Reliability"]
[783,"Clc1ccc(cc1Cl)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1cc(ccc1Cl)c1c(Cl)c(Cl)cc(c1Cl)Cl","c1cc(c(cc1c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,3,3',4',5,6-HEXACHLOROBIPHENYL(1)","74472-44-9(1)","5200","High Reliability"]
[784,"Clc1ccc(cc1Cl)-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1ccc(cc1Cl)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1ccc(cc1Cl)c1c(Cl)cc(c(c1Cl)Cl)Cl","c1cc(c(cc1c2c(cc(c(c2Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,3,3',4,4',6-Hexachlorobiphenyl(1)","74472-42-7(1)","5199","High Reliability"]
[785,"Clc1cccc(c1Cl)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1cccc(c1Cl)c1c(Cl)c(Cl)cc(c1Cl)Cl","c2cc(c1c(c(cc(c1Cl)Cl)Cl)Cl)c(c(c2)Cl)Cl","",1,"2,2',3,3',5,6-HEXACHLOROBIPHENYL(1)","52704-70-8(1)","4858","High Reliability"]
[786,"Clc1cc(Cl)c(Cl)c(Cl)c1-c2cccc(Cl)c2Cl\nClc1cccc(c1Cl)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1Cl)Cl)c1cccc(c1Cl)Cl","c2cc(c1c(cc(c(c1Cl)Cl)Cl)Cl)c(c(c2)Cl)Cl","",1,"2,2',3,3',4,6-HEXACHLOROBIPHENYL(1)","61798-70-7(1)","5010","High Reliability"]
[787,"Clc1ccc(Cl)c(c1Cl)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(c(Cl)c1Cl)-c2c(Cl)ccc(Cl)c2Cl\n\n","Clc1ccc(c(c1Cl)Cl)c1c(Cl)ccc(c1Cl)Cl","c1cc(c(c(c1c2c(ccc(c2Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,3',4,6'-HEXACHLOROBIPHENYL(1)","38380-05-1(1)","4672","High Reliability"]
[788,"Clc1c(cccc1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\nClc1ccccc1-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1ccccc1c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl","c1ccc(c(c1)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","",1,"HEXACHLOROBIPHENYL(1)","26601-64-9(1)","4423","Medium Reliability"]
[789,"Clc1cc(Cl)c(cc1Cl)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(c(Cl)c1Cl)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1cc(Cl)c(cc1c1ccc(c(c1Cl)Cl)Cl)Cl","c1cc(c(c(c1c2cc(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,4,4',5'-HEXACHLOROBIPHENYL(1)","35065-28-2(1)","4605","High Reliability"]
[790,"Clc1cc(c(Cl)c(Cl)c1Cl)-c2cc(Cl)c(Cl)cc2\nClc1ccc(cc1Cl)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1ccc(cc1Cl)c1cc(Cl)c(c(c1Cl)Cl)Cl","c1cc(c(cc1c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,3,3',4,4',5-HEXACHLOROBIPHENYL(1)","38380-08-4(1)","4674","High Reliability"]
[791,"Clc1cccc(c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2\nClc1cccc(c1Cl)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1cccc(c1Cl)c1cc(Cl)c(c(c1Cl)Cl)Cl","c2cc(c1cc(c(c(c1Cl)Cl)Cl)Cl)c(c(c2)Cl)Cl","",1,"2,2',3,3',4,5-HEXACHLOROBIPHENYL(1)","55215-18-4(1)","4901","High Reliability"]
[792,"Clc1c(Cl)c(Cl)c(cc1)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(c(Cl)c1Cl)-c2ccc(Cl)c(Cl)c2Cl\nClc1ccc(c(Cl)c1Cl)-c2ccc(Cl)c(Cl)c2Cl\n","Clc1c(ccc(c1Cl)Cl)c1ccc(c(c1Cl)Cl)Cl","c1cc(c(c(c1c2ccc(c(c2Cl)Cl)Cl)Cl)Cl)Cl","",2,"2,2',3,3',4,4'-HEXACHLOROBIPHENYL(1), AROCLOR 1260(1)","38380-07-3(1), 11096-82-5(1)","4673, 3932","High Reliability","Checked on PubChem, Checked on ChemID"]
[793,"Clc1cc(Cl)c(cc1Cl)-c2cc(Cl)c(Cl)cc2Cl\n\n\n","Clc1cc(Cl)c(cc1c1cc(Cl)c(cc1Cl)Cl)Cl","c2c(c1cc(c(cc1Cl)Cl)Cl)c(cc(c2Cl)Cl)Cl","",1,"2,4,5,2',4',5'-HEXACHLOROBIPHENYL(1)","35065-27-1(1)","4604","High Reliability"]
[794,"Clc1cc(Cl)c(cc1Cl)-c2cc(Cl)c(Cl)c(Cl)c2\n\n\n","Clc1cc(Cl)c(cc1c1cc(Cl)c(c(c1)Cl)Cl)Cl","c1c(cc(c(c1Cl)Cl)Cl)c2cc(c(cc2Cl)Cl)Cl","",1,"2,3',4,4',5,5'-HEXACHLOROBIPHENYL(1)","52663-72-6(1)","4850","High Reliability"]
[795,"Brc1cc(c(Br)cc1)-c2cc(Br)c(Br)cc2Br\nBrc1ccc(Br)c(c1)-c2cc(Br)c(Br)cc2Br\n\n","Brc1ccc(c(c1)c1cc(Br)c(cc1Br)Br)Br","c1cc(c(cc1Br)c2cc(c(cc2Br)Br)Br)Br","",1,"2,2',4,5,5'-PENTABROMOBIPHENYL(1)","67888-96-4(1)","5092","High Reliability"]
[796,"Clc1cc(Cl)c(Cl)c2c1Oc3ccccc3O2\n\n\n","Clc1c(Cl)cc(c2c1Oc1ccccc1O2)Cl","O1c3ccccc3(Oc2c1c(cc(c2Cl)Cl)Cl)","",1,"1,2,4-TRICHLORODIBENZO-P-DIOXIN(1)","39227-58-2(1)","4709","High Reliability"]
[797,"Clc1ccc(Cl)c(c1)-c2c(Cl)c(Cl)cc(Cl)c2\nClc1ccc(Cl)c(c1)-c2cc(Cl)cc(Cl)c2Cl\n\n","Clc1ccc(c(c1)c1cc(Cl)cc(c1Cl)Cl)Cl","c1cc(c(cc1Cl)c2cc(cc(c2Cl)Cl)Cl)Cl","",1,"2,2',3,5,5'-PENTACHLOROBIPHENYL(1)","52663-61-3(1)","4840","High Reliability"]
[798,"Clc1cc(Cl)c(cc1)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(c(Cl)c1)-c2ccc(Cl)c(Cl)c2Cl\n\n","Clc1ccc(c(c1)Cl)c1ccc(c(c1Cl)Cl)Cl","c1cc(cc(c1c2ccc(c(c2Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,4,4'-PENTACHLOROBIPHENYL(1)","65510-45-4(1)","5053","High Reliability"]
[799,"Clc1cc(Cl)c(cc1)-c2c(Cl)c(Cl)ccc2Cl\nClc1ccc(c(Cl)c1)-c2c(Cl)ccc(Cl)c2Cl\n\n","Clc1ccc(c(c1)Cl)c1c(Cl)ccc(c1Cl)Cl","c1cc(cc(c1c2c(ccc(c2Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,4',6-PENTACHLOROBIPHENYL(1)","68194-05-8(1)","5100","High Reliability"]
[800,"Clc1cc(Cl)c(cc1)-c2c(Cl)cc(Cl)c(Cl)c2\nClc1ccc(c(Cl)c1)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1ccc(c(c1)Cl)c1cc(Cl)c(cc1Cl)Cl","c1cc(cc(c1c2cc(c(cc2Cl)Cl)Cl)Cl)Cl","",1,"2,2',4,4',5-PENTACHLOROBIPHENYL(1)","38380-01-7(1)","4668","High Reliability"]
[801,"Clc1cc(Cl)c(cc1)-c2c(Cl)c(Cl)cc(Cl)c2\nClc1ccc(c(Cl)c1)-c2cc(Cl)cc(Cl)c2Cl\n\n","Clc1ccc(c(c1)Cl)c1cc(Cl)cc(c1Cl)Cl","c1cc(cc(c1c2cc(cc(c2Cl)Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,4',5-pentachloro-(1)","68194-07-0(1)","5101","High Reliability"]
[802,"Clc1cc(c(Cl)cc1)-c2c(Cl)c(Cl)ccc2Cl\nClc1ccc(Cl)c(c1)-c2c(Cl)ccc(Cl)c2Cl\n\n","Clc1ccc(c(c1)c1c(Cl)ccc(c1Cl)Cl)Cl","c1cc(c(cc1Cl)c2c(ccc(c2Cl)Cl)Cl)Cl","",1,"2,2',3,5',6-PENTACHLOROBIPHENYL(1)","38379-99-6(1)","4667","High Reliability"]
[803,"Clc1cc(Cl)c(cc1)-c2c(Cl)cc(Cl)cc2Cl\nClc1ccc(c(Cl)c1)-c2c(Cl)cc(Cl)cc2Cl\n\n","Clc1ccc(c(c1)Cl)c1c(Cl)cc(cc1Cl)Cl","c1cc(cc(c1c2c(cc(cc2Cl)Cl)Cl)Cl)Cl","",1,"2,2',4,4',6-PENTACHLOROBIPHENYL(1)","39485-83-1(1)","4712","High Reliability"]
[804,"Clc1cc(c(Cl)cc1)-c2c(Cl)cc(Cl)c(Cl)c2\nClc1ccc(Cl)c(c1)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1ccc(c(c1)c1cc(Cl)c(cc1Cl)Cl)Cl","c1cc(c(cc1Cl)c2cc(c(cc2Cl)Cl)Cl)Cl","",1,"2,4,5,2',5'-PENTACHLOROBIPHENYL(1)","37680-73-2(1)","4651","High Reliability"]
[805,"Clc1ccc(Cl)c(c1)-c2c(Cl)cc(Cl)cc2Cl\n\n\n","Clc1ccc(c(c1)c1c(Cl)cc(cc1Cl)Cl)Cl","c1cc(c(cc1Cl)c2c(cc(cc2Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',4,5',6-pentachloro-(1)","60145-21-3(1)","4978","High Reliability"]
[806,"Clc1cc(c(Cl)cc1)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(Cl)c(c1)-c2ccc(Cl)c(Cl)c2Cl\n\n","Clc1ccc(c(c1)c1ccc(c(c1Cl)Cl)Cl)Cl","c1cc(c(c(c1c2cc(ccc2Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,4,5'-PENTACHLOROBIPHENYL(1)","38380-02-8(1)","4669","High Reliability"]
[807,"Clc1cc(Cl)c(c(Cl)c1)-c2c(Cl)c(Cl)ccc2\nClc1cc(Cl)c(c(Cl)c1)-c2cccc(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1)Cl)c1cccc(c1Cl)Cl","c2cc(c1c(cc(cc1Cl)Cl)Cl)c(c(c2)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,4',6'-pentachloro-(1)","60233-25-2(1)","4989","High Reliability"]
[808,"Clc1cc(Cl)c(c(Cl)c1)-c2c(Cl)cccc2Cl\n\n\n","Clc1cc(Cl)c(c(c1)Cl)c1c(Cl)cccc1Cl","c2cc(c(c1c(cc(cc1Cl)Cl)Cl)c(c2)Cl)Cl","",1,"2,2',4,6,6'-Pentachlorobiphenyl(1)","56558-16-8(1)","4932","High Reliability"]
[809,"Clc1cc(c(Cl)cc1)-c2cc(Cl)c(Cl)c(Cl)c2\nClc1ccc(Cl)c(c1)-c2cc(Cl)c(Cl)c(Cl)c2\n\n","Clc1ccc(c(c1)c1cc(Cl)c(c(c1)Cl)Cl)Cl","c1cc(c(cc1Cl)c2cc(c(c(c2)Cl)Cl)Cl)Cl","",1,"2',3,4,5,5'-Pentachlorobiphenyl(1)","70424-70-3(1)","5142","High Reliability"]
[810,"Clc1cc(Cl)c(c(Cl)c1)-c2cc(Cl)cc(Cl)c2\n\n\n","Clc1cc(Cl)c(c(c1)Cl)c1cc(Cl)cc(c1)Cl","c1c(cc(cc1Cl)Cl)c2c(cc(cc2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3',4,5',6-pentachloro-(1)","56558-18-0(1)","4934","High Reliability"]
[811,"Clc1cc(cc(Cl)c1)-c2c(Cl)cc(Cl)c(Cl)c2\nClc1cc(Cl)cc(c1)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1cc(Cl)cc(c1)c1cc(Cl)c(cc1Cl)Cl","c1c(cc(cc1Cl)Cl)c2cc(c(cc2Cl)Cl)Cl","",1,"2,3',4,5,5'-PENTACHLOROBIPHENYL(1)","68194-12-7(1)","5104","High Reliability"]
[812,"Clc1cccc(Cl)c1-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(c(Cl)c1Cl)-c2c(Cl)cccc2Cl\n\n","Clc1c(Cl)ccc(c1Cl)c1c(Cl)cccc1Cl","c2cc(c(c1ccc(c(c1Cl)Cl)Cl)c(c2)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,4,6'-pentachloro-(1)","73575-57-2(1)","5184","High Reliability"]
[813,"Clc1ccc(Cl)c(c1Cl)-c2cc(Cl)c(Cl)cc2\nClc1ccc(cc1Cl)-c2c(Cl)ccc(Cl)c2Cl\n\n","Clc1cc(ccc1Cl)c1c(Cl)ccc(c1Cl)Cl","c1cc(c(cc1c2c(ccc(c2Cl)Cl)Cl)Cl)Cl","",1,"2,3,3',4',6-PENTACHLOROBIPHENYL(1)","38380-03-9(1)","4670","High Reliability"]
[814,"Clc1cc(ccc1)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1cccc(c1)c1c(Cl)c(Cl)cc(c1Cl)Cl","c1cc(cc(c1)Cl)c2c(c(cc(c2Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,3',5,6-pentachloro-(1)","74472-36-9(1)","5196","High Reliability"]
[815,"Clc1ccc(cc1)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1ccc(cc1)c1c(Cl)c(Cl)cc(c1Cl)Cl","c1cc(ccc1c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,4',5,6-pentachloro-(1)","68194-11-6(1)","5103","High Reliability"]
[816,"Clc1ccc(cc1)-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1ccc(cc1)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1ccc(cc1)c1c(Cl)cc(c(c1Cl)Cl)Cl","c1cc(ccc1c2c(cc(c(c2Cl)Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,4,4',6-pentachloro-(1)","74472-38-1(1)","5198","High Reliability"]
[817,"Clc1ccc(cc1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2\nClc1ccc(cc1)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1ccc(cc1)c1cc(Cl)c(c(c1Cl)Cl)Cl","c1cc(ccc1c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl","",1,"2,3,4,4',5-Pentachlorobiphenyl(1)","74472-37-0(1)","5197","High Reliability"]
[818,"Clc1cc(cc(Cl)c1)-c2c(Cl)c(Cl)ccc2Cl\nClc1cc(Cl)cc(c1)-c2c(Cl)ccc(Cl)c2Cl\n\n","Clc1cc(Cl)cc(c1)c1c(Cl)ccc(c1Cl)Cl","c2cc(c(c(c1cc(cc(c1)Cl)Cl)c2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,3',5',6-pentachloro-(1)","68194-10-5(1)","5102","High Reliability"]
[819,"Clc1cc(Cl)c(c(Cl)c1)-c2ccc(Cl)c(Cl)c2\n\n\n","Clc1cc(Cl)c(c(c1)Cl)c1ccc(c(c1)Cl)Cl","c1cc(c(cc1c2c(cc(cc2Cl)Cl)Cl)Cl)Cl","",1,"2,3',4,4',6-PENTACHLOROBIPHENYL(1)","56558-17-9(1)","4933","High Reliability"]
[820,"Clc1ccccc1-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1ccccc1c1c(Cl)c(Cl)cc(c1Cl)Cl","c1ccc(c(c1)c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,5,6-pentachloro-(1)","73575-56-1(1)","5183","High Reliability"]
[821,"Clc1cc(Cl)c(Cl)c(Cl)c1-c2c(Cl)cccc2\nClc1ccccc1-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1c1ccccc1Cl)Cl)Cl","c1ccc(c(c1)c2c(cc(c(c2Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,4,6-PENTACHLOROBIPHENYL(1)","55215-17-3(1)","4900","High Reliability"]
[822,"Clc1cccc(c1Cl)-c2c(Cl)c(Cl)ccc2Cl\nClc1cccc(c1Cl)-c2c(Cl)ccc(Cl)c2Cl\n\n","Clc1c(Cl)cccc1c1c(Cl)ccc(c1Cl)Cl","c2cc(c1c(ccc(c1Cl)Cl)Cl)c(c(c2)Cl)Cl","",1,"2,2',3,3',6-PENTACHLOROBIPHENYL(1)","52663-60-2(1)","4839","High Reliability"]
[823,"Clc1cccc(c1Cl)-c2ccc(Cl)c(Cl)c2Cl\n\n\n","Clc1ccc(c(c1Cl)Cl)c1cccc(c1Cl)Cl","c2cc(c1ccc(c(c1Cl)Cl)Cl)c(c(c2)Cl)Cl","",1,"AROCLOR 1254(1)","11097-69-1(1)","3933","High Reliability","Checked on PubChem, Checked on ChemID"]
[824,"Clc1cc(Cl)c(cc1Cl)-c2c(Cl)c(Cl)ccc2\nClc1cccc(c1Cl)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1cc(Cl)c(cc1c1cccc(c1Cl)Cl)Cl","c2cc(c1cc(c(cc1Cl)Cl)Cl)c(c(c2)Cl)Cl","",1,"2,2',3',4,5-PENTACHLOROBIPHENYL(1)","41464-51-1(1)","4749","High Reliability"]
[825,"Clc1cc(cc(Cl)c1Cl)-c2cccc(Cl)c2Cl\nClc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2)c1Cl\n\n","Clc1c(Cl)cccc1c1cc(Cl)c(c(c1)Cl)Cl","c2cc(c1cc(c(c(c1)Cl)Cl)Cl)c(c(c2)Cl)Cl","",1,"2',3,3',4,5-Pentachlorobiphenyl(1)","76842-07-4(1)","5233","High Reliability"]
[826,"Clc1c(Cl)cc(cc1)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(cc1Cl)-c2ccc(Cl)c(Cl)c2Cl\n\n","Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl","c1cc(c(cc1c2ccc(c(c2Cl)Cl)Cl)Cl)Cl","",1,"2,3,3',4,4'-PENTACHLORO-1,1'-BIPHENYL(1)","32598-14-4(1)","4543","High Reliability"]
[827,"Clc1cc(c(Cl)c(Cl)c1Cl)-c2c(Cl)cccc2\nClc1ccccc1-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1ccccc1c1cc(Cl)c(c(c1Cl)Cl)Cl","c1ccc(c(c1)c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,4,5-PENTACHLOROBIPHENYL(1)","55312-69-1(1)","4908","High Reliability"]
[828,"Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)-c2ccccc2\n\n\n","Clc1c(c2ccccc2)c(Cl)c(c(c1Cl)Cl)Cl","c1ccc(cc1)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","",1,"2,3,4,5,6-PCB(1)","18259-05-7(1)","4187","Medium Reliability"]
[829,"Clc1ccc2oc3ccc(Cl)cc3c2c1\n\n\n","Clc1ccc2c(c1)c1cc(Cl)ccc1o2","o2c1ccc(cc1c3cc(ccc23)Cl)Cl","",1,"2,8-DICHLORODIBENZOFURAN(1)","5409-83-6(1)","3602","High Reliability","Checked on PubChem, Checked on ChemID"]
[830,"Clc1cc2c(Oc3c(O2)ccc(Cl)c3)cc1\n\n\n","Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl","O1c3ccc(cc3(Oc2ccc(cc12)Cl))Cl","",1,"2,7-DICHLORODIBENZO-P-DIOXIN(1)","33857-26-0(1)","4573","High Reliability"]
[831,"Clc1ccc2Oc3ccc(Cl)cc3Oc2c1\n\n\n","Clc1ccc2c(c1)Oc1c(O2)ccc(c1)Cl","O1c3ccc(cc3(Oc2cc(ccc12)Cl))Cl","",1,"2,8-DICHLORODIBENZO-P-DIOXIN(1)","38964-22-6(1)","4700","High Reliability","Checked on PubChem, Checked on ChemID"]
[832,"[O-][N+](=O)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1\n\n\n","Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl","O=[N+]([O-])c2ccc(Oc1c(cc(cc1Cl)Cl)Cl)cc2","",1,"CHLORNITROFEN(1)","1836-77-7(1)","2997","High Reliability"]
[833,"ClC(Cl)C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O\n\n\n","O=C(C(Cl)Cl)NC1=C(Cl)C(=O)c2c(C1=O)cccc2","O=C1c2ccccc2(C(=O)C(=C1(NC(=O)C(Cl)Cl))Cl)","",1,"Quinonamid(1)","27541-88-4(1)","4448","High Reliability"]
[834,"Clc1cc(c(Cl)cc1)-c2c(Cl)ccc(Cl)c2\nClc1ccc(Cl)c(c1)-c2cc(Cl)ccc2Cl\n\n","Clc1ccc(cc1c1cc(Cl)ccc1Cl)Cl","c1cc(c(cc1Cl)c2cc(ccc2Cl)Cl)Cl","",1,"2,2',5,5'-TETRACHLOROBIPHENYL(1)","35693-99-3(1)","4618","High Reliability"]
[835,"Clc1cc(Cl)c(cc1)-c2c(Cl)cc(Cl)cc2\nClc1ccc(c(Cl)c1)-c2ccc(Cl)cc2Cl\n\n","Clc1ccc(c(c1)Cl)c1ccc(cc1Cl)Cl","c1cc(cc(c1c2ccc(cc2Cl)Cl)Cl)Cl","",1,"2,2',4,4'-TETRACHLOROBIPHENYL(1)","2437-79-8(1)","3207","High Reliability"]
[836,"Clc1cc(Cl)c(cc1)-c2c(Cl)ccc(Cl)c2\nClc1ccc(c(Cl)c1)-c2cc(Cl)ccc2Cl\n\n","Clc1ccc(c(c1)Cl)c1cc(Cl)ccc1Cl","c1cc(cc(c1c2cc(ccc2Cl)Cl)Cl)Cl","",1,"2,2',4,5'-TETRACHLOROBIPHENYL(1)","41464-40-8(1)","4745","High Reliability"]
[837,"Clc1cccc(Cl)c1-c2c(Cl)cccc2Cl\n\n\n","Clc1cccc(c1c1c(Cl)cccc1Cl)Cl","c2cc(c(c1c(cccc1Cl)Cl)c(c2)Cl)Cl","",1,"2,2',6,6'-TETRACHLOROBIPHENYL(1)","15968-05-5(1)","4084","High Reliability"]
[838,"Clc1cc(c(Cl)cc1)-c2c(Cl)c(Cl)ccc2\nClc1ccc(Cl)c(c1)-c2cccc(Cl)c2Cl\n\n","Clc1ccc(c(c1)c1cccc(c1Cl)Cl)Cl","c2cc(c1cc(ccc1Cl)Cl)c(c(c2)Cl)Cl","",1,"2,2',3,5'-TETRACHLOROBIPHENYL(1)","41464-39-5(1)","4744","High Reliability"]
[839,"Clc1cc(Cl)c(cc1)-c2cccc(Cl)c2Cl\nClc1ccc(c(Cl)c1)-c2cccc(Cl)c2Cl\n\n","Clc1ccc(c(c1)Cl)c1cccc(c1Cl)Cl","c2cc(c1ccc(cc1Cl)Cl)c(c(c2)Cl)Cl","",1,"2,2',3,4'-TETRACHLOROBIPHENYL(1)","36559-22-5(1)","4631","High Reliability"]
[840,"Clc1ccc(c(Cl)c1)-c2c(Cl)cccc2Cl\n\n\n","Clc1ccc(c(c1)Cl)c1c(Cl)cccc1Cl","c2cc(c(c1ccc(cc1Cl)Cl)c(c2)Cl)Cl","",1,"2,2',4,6'-TETRACHLOROBIPHENYL(1)","68194-04-7(1)","5099","High Reliability"]
[841,"Clc1cc(c(Cl)cc1)-c2c(Cl)cccc2Cl\nClc1ccc(Cl)c(c1)-c2c(Cl)cccc2Cl\n\n","Clc1ccc(c(c1)c1c(Cl)cccc1Cl)Cl","c2cc(c(c1cc(ccc1Cl)Cl)c(c2)Cl)Cl","",1,"2,2',5,6'-TETRACHLOROBIPHENYL(1)","41464-41-9(1)","4746","High Reliability"]
[842,"Clc1cc(Cl)c(c(Cl)c1)-c2c(Cl)cccc2\nClc1cc(Cl)c(c(Cl)c1)-c2ccccc2Cl\n\n","Clc1cc(Cl)c(c(c1)Cl)c1ccccc1Cl","c1ccc(c(c1)c2c(cc(cc2Cl)Cl)Cl)Cl","",1,"2,2',4,6-TETRACHLOROBIPHENYL(1)","62796-65-0(1)","5017","High Reliability"]
[843,"Clc1cc(Cl)c(cc1)-c2cc(Cl)c(Cl)cc2\nClc1ccc(c(Cl)c1)-c2ccc(Cl)c(Cl)c2\n\n","Clc1ccc(c(c1)Cl)c1ccc(c(c1)Cl)Cl","c1cc(c(cc1c2ccc(cc2Cl)Cl)Cl)Cl","",1,"2,3',4,4'-TETRACHLOROBIPHENYL(1)","32598-10-0(1)","4539","High Reliability"]
[844,"Clc1cc(c(Cl)cc1)-c2cc(Cl)c(Cl)cc2\nClc1ccc(Cl)c(c1)-c2ccc(Cl)c(Cl)c2\n\n","Clc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)Cl","c1cc(c(cc1c2cc(ccc2Cl)Cl)Cl)Cl","",1,"2,3',4',5-TETRACHLOROBIPHENYL(1)","32598-11-1(1)","4540","High Reliability"]
[845,"Clc1cc(ccc1)-c2c(Cl)cc(Cl)cc2Cl\n\n\n","Clc1cccc(c1)c1c(Cl)cc(cc1Cl)Cl","c1cc(cc(c1)Cl)c2c(cc(cc2Cl)Cl)Cl","",1,"2,3',4,6-TETRACHLOROBIPHENYL(1)","60233-24-1(1)","4988","High Reliability"]
[846,"Clc1cc(ccc1)-c2c(Cl)cc(Cl)c(Cl)c2\nClc1cccc(c1)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1cccc(c1)c1cc(Cl)c(cc1Cl)Cl","c1cc(cc(c1)Cl)c2cc(c(cc2Cl)Cl)Cl","",1,"2,3',4,5-TETRACHLOROBIPHENYL(1)","73575-53-8(1)","5182","High Reliability"]
[847,"Clc1cc(ccc1)-c2ccc(Cl)c(Cl)c2Cl\n\n\n","Clc1cccc(c1)c1ccc(c(c1Cl)Cl)Cl","c1cc(cc(c1)Cl)c2ccc(c(c2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,3',4-tetrachloro-(1)","74338-24-2(1)","5194","High Reliability"]
[848,"Clc1ccc(cc1)-c2c(Cl)c(Cl)cc(Cl)c2\nClc1ccc(cc1)-c2cc(Cl)cc(Cl)c2Cl\n\n","Clc1ccc(cc1)c1cc(Cl)cc(c1Cl)Cl","c1cc(ccc1c2cc(cc(c2Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,4',5-tetrachloro-(1)","74472-34-7(1)","5195","High Reliability"]
[849,"Clc1ccc(cc1)-c2c(Cl)cc(Cl)cc2Cl\n\n\n","Clc1ccc(cc1)c1c(Cl)cc(cc1Cl)Cl","c1cc(ccc1c2c(cc(cc2Cl)Cl)Cl)Cl","",1,"2,4,4',6-Tetrachlorobiphenyl(1)","32598-12-2(1)","4541","High Reliability"]
[850,"Clc1ccc(cc1)-c2c(Cl)cc(Cl)c(Cl)c2\nClc1ccc(cc1)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1ccc(cc1)c1cc(Cl)c(cc1Cl)Cl","c1cc(ccc1c2cc(c(cc2Cl)Cl)Cl)Cl","",1,"2,4,4',5-TETRACHLOROBIPHENYL(1)","32690-93-0(1)","4546","High Reliability"]
[851,"Clc1ccc(cc1)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(cc1)-c2ccc(Cl)c(Cl)c2Cl\n\n","Clc1ccc(cc1)c1ccc(c(c1Cl)Cl)Cl","c1cc(ccc1c2ccc(c(c2Cl)Cl)Cl)Cl","",1,"2,3,4,4'-PCB(1)","33025-41-1(1)","4553","Medium Reliability"]
[852,"Clc1ccc(Cl)c(c1Cl)-c2ccccc2Cl\n\n\n","Clc1ccccc1c1c(Cl)ccc(c1Cl)Cl","c1ccc(c(c1)c2c(ccc(c2Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,6-tetrachloro-(1)","70362-45-7(1)","5137","High Reliability"]
[853,"Clc1cccc(Cl)c1-c2cc(Cl)c(Cl)cc2\n\n\n","Clc1cc(ccc1Cl)c1c(Cl)cccc1Cl","c2cc(c(c1ccc(c(c1)Cl)Cl)c(c2)Cl)Cl","",1,"1,1'-Biphenyl, 2,3',4',6-tetrachloro-(1)","41464-46-4(1)","4747","High Reliability"]
[854,"Clc1cc(Cl)c(Cl)c(c1Cl)-c2ccccc2\n\n\n","Clc1cc(Cl)c(c(c1Cl)c1ccccc1)Cl","c1ccc(cc1)c2c(c(cc(c2Cl)Cl)Cl)Cl","",1,"2,3,5,6-TETRACHLOROBIPHENYL(1)","33284-54-7(1)","4563","High Reliability"]
[855,"Clc1cc(cc(Cl)c1)-c2cc(Cl)cc(Cl)c2\nClc1cc(Cl)cc(c1)-c2cc(Cl)cc(Cl)c2\n\n","Clc1cc(cc(c1)Cl)c1cc(Cl)cc(c1)Cl","c1c(cc(cc1Cl)Cl)c2cc(cc(c2)Cl)Cl","",2,"3,3',5,5'-TETRACHLOROBIPHENYL(1), AROCLOR 1248(1)","33284-52-5(1), 12672-29-6(1)","4561, 3942","High Reliability","Checked on PubChem, Checked on ChemID"]
[856,"Clc1c(Cl)cc(cc1)-c2cc(Cl)c(Cl)cc2\n\n\n","Clc1ccc(cc1Cl)c1ccc(c(c1)Cl)Cl","c1cc(c(cc1c2ccc(c(c2)Cl)Cl)Cl)Cl","",1,"3,3',4,4'-TETRACHLOROBIPHENYL(1)","32598-13-3(1)","4542","High Reliability"]
[857,"Clc1cc(Cl)c(cc1Cl)-c2c(Cl)cccc2\nClc1ccccc1-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1cc(Cl)c(cc1c1ccccc1Cl)Cl","c1ccc(c(c1)c2cc(c(cc2Cl)Cl)Cl)Cl","",1,"2,2'4,5-TETRACHLOROBIPHENYL(1)","70362-47-9(1)","5139","Medium Reliability"]
[858,"Clc1c(Cl)c(Cl)c(cc1)-c2c(Cl)cccc2\nClc1ccc(c(Cl)c1Cl)-c2ccccc2Cl\n\n","Clc1c(Cl)ccc(c1Cl)c1ccccc1Cl","c1ccc(c(c1)c2ccc(c(c2Cl)Cl)Cl)Cl","",1,"2,2',3,4-TETRACHLOROBIPHENYL(1)","52663-59-9(1)","4838","High Reliability"]
[859,"Clc1cccc(c1Cl)-c2c(Cl)c(Cl)ccc2\nClc1cccc(c1Cl)-c2cccc(Cl)c2Cl\n\n","Clc1c(Cl)cccc1c1cccc(c1Cl)Cl","c2cc(c1cccc(c1Cl)Cl)c(c(c2)Cl)Cl","",1,"2,2',3,3'-TETRACHLOROBIPHENYL(1)","38444-93-8(1)","4685","High Reliability"]
[860,"Clc1ccc(cc1)S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl\n\n\n","Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl","O=S(=O)(c1ccc(cc1)Cl)c2cc(c(cc2Cl)Cl)Cl","",1,"TETRADIFON(1)","116-29-0(1)","1300","High Reliability"]
[861,"Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1\n\n\n","Clc1ccc(cc1)Sc1cc(Cl)c(cc1Cl)Cl","c1cc(ccc1Cl)Sc2cc(c(cc2Cl)Cl)Cl","",1,"TETRASUL(1)","2227-13-6(1)","3137","High Reliability"]
[862,"FC1(F)Oc2cccc(c2O1)-c3c[nH]cc3C#N\n\n\n","N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F","N#Cc1c[nH]cc1c3cccc2OC(F)(F)Oc23","",1,"FLUDIOXONIL(1)","131341-86-1(1)","5677","High Reliability"]
[863,"[O-][N+](=O)c1ccc(Oc2c(Cl)cc(Cl)cc2)cc1\n\n\n","Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c2ccc(Oc1ccc(cc1Cl)Cl)cc2","",1,"NITROFEN(1)","1836-75-5(1)","2996","High Reliability"]
[864,"Clc1cccc(c1)-c2cc(Cl)cc(Cl)c2\n\n\n","Clc1cccc(c1)c1cc(Cl)cc(c1)Cl","c1cc(cc(c1)Cl)c2cc(cc(c2)Cl)Cl","",1,"AROCLOR 1016(1)","12674-11-2(1)","3943","High Reliability","Checked on PubChem, Checked on ChemID"]
[865,"Clc1ccc(cc1)-c2cc(Cl)c(Cl)cc2\n\n\n","Clc1ccc(cc1)c1ccc(c(c1)Cl)Cl","c1cc(ccc1c2ccc(c(c2)Cl)Cl)Cl","",1,"3,4,4'-TRICHLOROBIPHENYL(1)","38444-90-5(1)","4684","High Reliability"]
[866,"Clc1c(Cl)cc(cc1)-c2c(Cl)cccc2\nClc1ccc(cc1Cl)-c2ccccc2Cl\n\n","Clc1cc(ccc1Cl)c1ccccc1Cl","c1ccc(c(c1)c2ccc(c(c2)Cl)Cl)Cl","",1,"2',3,4-TRICHLOROBIPHENYL(1)","38444-86-9(1)","4683","High Reliability"]
[867,"Clc1cccc(c1Cl)-c2c(Cl)cccc2\nClc1cccc(c1Cl)-c2ccccc2Cl\n\n","Clc1ccccc1c1cccc(c1Cl)Cl","c1ccc(c(c1)c2cccc(c2Cl)Cl)Cl","",1,"2,2',3'-TRICHLOROBIPHENYL(1)","38444-78-9(1)","4680","High Reliability"]
[868,"Clc1cc(Cl)c(cc1Cl)-c2ccccc2\n\n\n","Clc1cc(Cl)c(cc1c1ccccc1)Cl","c1ccc(cc1)c2cc(c(cc2Cl)Cl)Cl","",1,"2,4,5-TRICHLOROBIPHENYL(1)","15862-07-4(1)","4079","High Reliability"]
[869,"Clc1c(Cl)c(Cl)c(cc1)-c2ccccc2\nClc1ccc(-c2ccccc2)c(Cl)c1Cl\n\n","Clc1ccc(c(c1Cl)Cl)c1ccccc1","c1ccc(cc1)c2ccc(c(c2Cl)Cl)Cl","",1,"2,3,4-TRICHLORO-1,1'-BIPHENYL(1)","55702-46-0(1)","4917","High Reliability"]
[870,"Clc1cc(Cl)c(cc1)-c2c(Cl)cccc2\nClc1ccc(c(Cl)c1)-c2ccccc2Cl\n\n","Clc1ccc(c(c1)Cl)c1ccccc1Cl","c1ccc(c(c1)c2ccc(cc2Cl)Cl)Cl","",1,"2,2',4-TRICHLOROBIPHENYL(1)","37680-66-3(1)","4649","High Reliability"]
[871,"Clc1cc(c(Cl)cc1)-c2c(Cl)cccc2\nClc1ccc(Cl)c(c1)-c2ccccc2Cl\n\n","Clc1ccc(c(c1)c1ccccc1Cl)Cl","c1ccc(c(c1)c2cc(ccc2Cl)Cl)Cl","",1,"2,2',5-TRICHLOROBIPHENYL(1)","37680-65-2(1)","4648","High Reliability"]
[872,"Clc1cc(c(Cl)cc1)-c2cc(Cl)ccc2\nClc1cccc(c1)-c2cc(Cl)ccc2Cl\n\n","Clc1ccc(c(c1)c1cccc(c1)Cl)Cl","c1cc(cc(c1)Cl)c2cc(ccc2Cl)Cl","",1,"2,3',5-TRICHLOROBIPHENYL(1)","38444-81-4(1)","4681","High Reliability"]
[873,"Clc1ccc(cc1)-c2c(Cl)cc(Cl)cc2\nClc1ccc(cc1)-c2ccc(Cl)cc2Cl\n\n","Clc1ccc(cc1)c1ccc(cc1Cl)Cl","c1cc(ccc1c2ccc(cc2Cl)Cl)Cl","",1,"2,4,4'-TRICHLOROBIPHENYL(1)","7012-37-5(1)","3810","High Reliability"]
[874,"Clc1ccc(cc1)-c2c(Cl)ccc(Cl)c2\nClc1ccc(cc1)-c2cc(Cl)ccc2Cl\n\n","Clc1ccc(cc1)c1cc(Cl)ccc1Cl","c1cc(ccc1c2cc(ccc2Cl)Cl)Cl","",1,"2,4',5-TRICHLOROBIPHENYL(1)","16606-02-3(1)","4107","High Reliability"]
[875,"Clc1cccc(c1)-c2c(Cl)cccc2Cl\n\n\n","Clc1cccc(c1)c1c(Cl)cccc1Cl","c1cc(cc(c1)Cl)c2c(cccc2Cl)Cl","",1,"2,3',6-Trichlorobiphenyl(1)","38444-76-7(1)","4678","High Reliability"]
[876,"Clc1cccc(Cl)c1-c2c(Cl)cccc2\nClc1ccccc1-c2c(Cl)cccc2Cl\n\n","Clc1cccc(c1c1ccccc1Cl)Cl","c1ccc(c(c1)c2c(cccc2Cl)Cl)Cl","",1,"2,2',6-TRICHLOROBIPHENYL(1)","38444-73-4(1)","4677","High Reliability"]
[877,"Clc1cc(cc(Cl)c1)-c2c(Cl)cccc2\nClc1cc(Cl)cc(c1)-c2ccccc2Cl\n\n","Clc1cc(Cl)cc(c1)c1ccccc1Cl","c1ccc(c(c1)c2cc(cc(c2)Cl)Cl)Cl","",1,"2',3,5-TRICHLOROBIPHENYL(1)","37680-68-5(1)","4650","High Reliability"]
[878,"Clc1cc(Cl)c(c(Cl)c1)-c2ccccc2\n\n\n","Clc1cc(Cl)c(c(c1)Cl)c1ccccc1","c1ccc(cc1)c2c(cc(cc2Cl)Cl)Cl","",1,"2,4,6-TRICHLOROBIPHENYL(1)","35693-92-6(1)","4617","High Reliability"]
[879,"Clc1ccc(cc1)-c2c(Cl)c(Cl)ccc2\nClc1ccc(cc1)-c2cccc(Cl)c2Cl\n\n","Clc1ccc(cc1)c1cccc(c1Cl)Cl","c2cc(c1ccc(cc1)Cl)c(c(c2)Cl)Cl","",1,"2,3,4'-TRICHLOROBIPHENYL(1)","38444-85-8(1)","4682","High Reliability"]
[880,"Clc1ccc(cc1)-c2c(Cl)cccc2Cl\n\n\n","Clc1cccc(c1c1ccc(cc1)Cl)Cl","c2cc(c(c1ccc(cc1)Cl)c(c2)Cl)Cl","",1,"2,4',6-TRICHLOROBIPHENYL(1)","38444-77-8(1)","4679","High Reliability"]
[881,"Clc1ccc(Cl)c(c1Cl)-c2ccccc2\n\n\n","Clc1ccc(c(c1c1ccccc1)Cl)Cl","c1ccc(cc1)c2c(ccc(c2Cl)Cl)Cl","",1,"2,3,6-TRICHLOROBIPHENYL(1)","55702-45-9(1)","4916","High Reliability"]
[882,"Clc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1\n\n\n","Clc1ccc(cc1)Oc1cc(Cl)cc(c1)Cl","O(c1ccc(cc1)Cl)c2cc(cc(c2)Cl)Cl","",1,"3,4',5-Trichlorodiphenyl ether(1)","24910-73-4(1)","4372","Medium Reliability"]
[883,"Clc1ccc(Oc2cc(Cl)c(Cl)cc2)cc1\n\n\n","Clc1ccc(cc1)Oc1ccc(c(c1)Cl)Cl","O(c1ccc(cc1)Cl)c2ccc(c(c2)Cl)Cl","",1,"3,4,4'-Trichlorodiphenyl ether(1)","63646-51-5(1)","5024","Medium Reliability"]
[884,"Clc1ccc(Oc2ccc(Cl)cc2Cl)cc1\n\n\n","Clc1ccc(cc1)Oc1ccc(cc1Cl)Cl","O(c1ccc(cc1)Cl)c2ccc(cc2Cl)Cl","",1,"2,4,4'-Trichlorodiphenyl ether(1)","59039-21-3(1)","4969","Medium Reliability"]
[885,"Clc1ccc(Oc2c(Cl)ccc(Cl)c2)cc1\n\n\n","Clc1ccc(cc1)Oc1cc(Cl)ccc1Cl","O(c1ccc(cc1)Cl)c2cc(ccc2Cl)Cl","",1,"2,4',5-Trichlorodiphenyl ether(1)","65075-00-5(1)","5047","High Reliability","Checked on PubChem, Checked on ChemID"]
[886,"Clc1cc(Cl)c(Oc2cc(Cl)ccc2)cc1\n\n\n","Clc1ccc(c(c1)Cl)Oc1cccc(c1)Cl","O(c1cccc(c1)Cl)c2ccc(cc2Cl)Cl","",1,"2,3',4-Trichlorodiphenyl ether(1)","155999-93-2(1)","5730","High Reliability","Checked on PubChem, Checked on ChemID"]
[887,"Clc1cccc(Oc2cc(Cl)c(Cl)cc2)c1\n\n\n","Clc1cccc(c1)Oc1ccc(c(c1)Cl)Cl","O(c1cccc(c1)Cl)c2ccc(c(c2)Cl)Cl","",1,"3,3',4-Trichlorodiphenyl ether(1)","66794-60-3(1)","5067","Medium Reliability"]
[888,"Clc1ccc(Oc2cccc(Cl)c2Cl)cc1\n\n\n","Clc1ccc(cc1)Oc1cccc(c1Cl)Cl","O(c1ccc(cc1)Cl)c2cccc(c2Cl)Cl","",1,"2,3,4'-Trichlorodiphenyl ether(1)","157683-71-1(1)","5731","High Reliability","Checked on PubChem, Checked on ChemID"]
[889,"Clc1ccc(Oc2c(Cl)cccc2Cl)cc1\n\n\n","Clc1cccc(c1Oc1ccc(cc1)Cl)Cl","O(c1ccc(cc1)Cl)c2c(cccc2Cl)Cl","",1,"2,4',6-Trichlorodiphenyl ether(1)","157683-72-2(1)","5732","High Reliability","Checked on PubChem, Checked on ChemID"]
[890,"Clc1cc(Cl)c(Oc2ccccc2Cl)cc1\n\n\n","Clc1ccc(c(c1)Cl)Oc1ccccc1Cl","O(c1ccccc1Cl)c2ccc(cc2Cl)Cl","",1,"2,2',4-Trichlorodiphenyl ether(1)","68914-97-6(1)","5115","Medium Reliability"]
[891,"Clc1cc(Oc2ccccc2)c(Cl)c(Cl)c1\n\n\n","Clc1cc(Oc2ccccc2)c(c(c1)Cl)Cl","O(c1ccccc1)c2cc(cc(c2Cl)Cl)Cl","",1,"2,3,5-Trichlorodiphenyl ether(1)","162853-24-9(1)","5749","High Reliability","Checked on PubChem, Checked on ChemID"]
[892,"Clc1ccccc1Oc2cc(Cl)c(Cl)cc2\n\n\n","Clc1cc(ccc1Cl)Oc1ccccc1Cl","O(c1ccc(c(c1)Cl)Cl)c2ccccc2Cl","",1,"2',3,4-Trichlorodiphenyl ether(1)","61328-44-7(1)","5004","Medium Reliability"]
[893,"Clc1c(Cl)c(Oc2ccccc2)c(Cl)cc1\n\n\n","Clc1ccc(c(c1Oc1ccccc1)Cl)Cl","O(c1ccccc1)c2c(ccc(c2Cl)Cl)Cl","",1,"2,3,6-Trichlorodiphenyl ether(1)","162853-25-0(1)","5750","High Reliability","Checked on PubChem, Checked on ChemID"]
[894,"Oc1c(Oc2ccc(Cl)cc2Cl)ccc(Cl)c1\n\n\n","Clc1ccc(c(c1)O)Oc1ccc(cc1Cl)Cl","Oc2cc(ccc2(Oc1ccc(cc1Cl)Cl))Cl","",1,"5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL(1)","3380-34-5(1)","3373","High Reliability"]
[895,"FC(F)(F)c1c(sc(Cl)n1)C(=O)OCc2ccccc2\n\n\n","Clc1nc(c(s1)C(=O)OCc1ccccc1)C(F)(F)F","O=C(OCc1ccccc1)c2c(nc(Cl)s2)C(F)(F)F","",1,"Flurazole(1)","72850-64-7(1)","5177","High Reliability"]
[896,"Clc1cccc2c1Oc3ccccc3O2\n\n\n","Clc1cccc2c1Oc1ccccc1O2","O1c3ccccc3(Oc2c1cccc2Cl)","",1,"1-CHLORODIBENZO-P-DIOXIN(1)","39227-53-7(1)","4707","High Reliability"]
[897,"Clc1cc2c(Oc3ccccc3O2)cc1\n\n\n","Clc1ccc2c(c1)Oc1c(O2)cccc1","O1c3ccccc3(Oc2cc(ccc12)Cl)","",1,"2-CHLORODIBENZO-P-DIOXIN(1)","39227-54-8(1)","4708","High Reliability"]
[898,"[O-][N+](=O)c1cc2cccnc2c3ncccc13\n\n\n","[O-][N+](=O)c1cc2cccnc2c2c1cccn2","O=[N+]([O-])c3cc1cccnc1c2ncccc23","",1,"1,10-PHENANTHROLINE, 5-NITRO-(1)","4199-88-6(1)","3471","High Reliability"]
[899,"Oc1ccc2nc-3ccc(=O)cc3oc2c1\n\n\n","Oc1ccc2c(c1)oc1c(n2)ccc(=O)c1","O=C1C=CC2=Nc3ccc(O)cc3(OC2(=C1))","",1,"Resorufin(1)","635-78-9(1)","2590","High Reliability"]
[900,"C1=Cc2c3c1cccc3ccc2\n\n\n","c1cc2cccc3c2c(c1)C=C3","c1cc2cccc3C=Cc(c1)c23","",1,"ACENAPHTHYLENE(1)","208-96-8(1)","1654","High Reliability"]
[901,"Brc1cc2c(Nc3ccccc3S2)cc1\n\n\n","Brc1ccc2c(c1)Sc1c(N2)cccc1","c1ccc3c(c1)Nc2ccc(cc2S3)Br","",1,"10H-Phenothiazine, 3-bromo-(1)","3939-23-9(1)","3445","High Reliability"]
[902,"Clc1cccc(c1)-c2c(Cl)cccc2\nClc1cccc(c1)-c2ccccc2Cl\n\n","Clc1cccc(c1)c1ccccc1Cl","c1ccc(c(c1)c2cccc(c2)Cl)Cl","",1,"2,3'-DICHLOROBIPHENYL(1)","25569-80-6(1)","4405","High Reliability"]
[903,"Clc1cc(Cl)c(cc1)-c2ccccc2\nClc1ccc(c(Cl)c1)-c2ccccc2\n\n","Clc1ccc(c(c1)Cl)c1ccccc1","c1ccc(cc1)c2ccc(cc2Cl)Cl","",1,"2,4-DICHLOROBIPHENYL(1)","33284-50-3(1)","4560","High Reliability"]
[904,"Clc1cc(c(Cl)cc1)-c2ccccc2\nClc1ccc(Cl)c(c1)-c2ccccc2\n\n","Clc1ccc(c(c1)c1ccccc1)Cl","c1ccc(cc1)c2cc(ccc2Cl)Cl","",1,"2,5-DICHLOROBIPHENYL(1)","34883-39-1(1)","4600","High Reliability"]
[905,"Clc1cccc(Cl)c1-c2ccccc2\n\n\n","Clc1cccc(c1c1ccccc1)Cl","c1ccc(cc1)c2c(cccc2Cl)Cl","",1,"2,6-DICHLOROBIPHENYL(1)","33146-45-1(1)","4557","High Reliability"]
[906,"Clc1ccc(cc1)-c2c(Cl)cccc2\nClc1ccc(cc1)-c2ccccc2Cl\n\n","Clc1ccc(cc1)c1ccccc1Cl","c1ccc(c(c1)c2ccc(cc2)Cl)Cl","",1,"2,4'-DICHLOROBIPHENYL(1)","34883-43-7(1)","4601","High Reliability"]
[907,"Clc1cccc(c1)-c2cc(Cl)ccc2\n\n\n","Clc1cccc(c1)c1cccc(c1)Cl","c1cc(cc(c1)Cl)c2cccc(c2)Cl","",1,"3,3'-DICHLOROBIPHENYL(1)","2050-67-1(1)","3078","High Reliability"]
[908,"Clc1ccc(cc1)-c2ccc(Cl)cc2\n\n\n","Clc1ccc(cc1)c1ccc(cc1)Cl","c1cc(ccc1c2ccc(cc2)Cl)Cl","",1,"4,4'-DICHLOROBIPHENYL(1)","2050-68-2(1)","3079","High Reliability"]
[909,"Clc1ccc(cc1)-c2cc(Cl)ccc2\n\n\n","Clc1ccc(cc1)c1cccc(c1)Cl","c1cc(cc(c1)Cl)c2ccc(cc2)Cl","",1,"BIPHENYL, 3,4'-DICHLORO-(1)","2974-90-5(1)","3305","High Reliability"]
[910,"Clc1c(cccc1)-c2c(Cl)cccc2\nClc1ccccc1-c2ccccc2Cl\n\n","Clc1ccccc1c1ccccc1Cl","c1ccc(c(c1)c2ccccc2Cl)Cl","",1,"2,2'-DICHLOROBIPHENYL(1)","13029-08-8(1)","3949","High Reliability"]
[911,"Clc1c(Cl)cc(cc1)-c2ccccc2\nClc1ccc(cc1Cl)-c2ccccc2\n\n","Clc1ccc(cc1Cl)c1ccccc1","c1ccc(cc1)c2ccc(c(c2)Cl)Cl","",1,"3,4-DICHLOROBIPHENYL(1)","2974-92-7(1)","3306","High Reliability"]
[912,"Clc1cccc(c1Cl)-c2ccccc2\nClc1cccc(-c2ccccc2)c1Cl\n\n","Clc1c(Cl)cccc1c1ccccc1","c1ccc(cc1)c2cccc(c2Cl)Cl","",2,"2,3-DICHLOROBIPHENYL(1), Biphenyl, dichloro-(1)","16605-91-7(1), 25512-42-9(1)","4106, 4402","High Reliability","Checked on PubChem, Checked on ChemID"]
[913,"Clc1cccc(Cl)c1Oc2ccccc2\n\n\n","Clc1cccc(c1Oc1ccccc1)Cl","O(c1ccccc1)c2c(cccc2Cl)Cl","",1,"2,6-Dichlorodiphenyl ether(1)","28419-69-4(1)","4462","Medium Reliability"]
[914,"Clc1c(Cl)cc(Oc2ccccc2)cc1\n\n\n","Clc1ccc(cc1Cl)Oc1ccccc1","O(c1ccccc1)c2ccc(c(c2)Cl)Cl","",1,"3,4-Dichlorodiphenyl ether(1)","55538-69-7(1)","4914","Medium Reliability"]
[915,"Clc1ccc(Oc2ccc(Cl)cc2)cc1\n\n\n","Clc1ccc(cc1)Oc1ccc(cc1)Cl","O(c1ccc(cc1)Cl)c2ccc(cc2)Cl","",1,"4,4'-Dichlorodiphenyl ether(1)","2444-89-5(1)","3213","High Reliability"]
[916,"Clc1ccc(Oc2cc(Cl)ccc2)cc1\n\n\n","Clc1ccc(cc1)Oc1cccc(c1)Cl","O(c1ccc(cc1)Cl)c2cccc(c2)Cl","",1,"3,4'-Dichlorodiphenyl ether(1)","6842-62-2(1)","3787","High Reliability","Checked on PubChem, Checked on ChemID"]
[917,"Clc1ccc(Oc2ccccc2Cl)cc1\n\n\n","Clc1ccc(cc1)Oc1ccccc1Cl","O(c1ccc(cc1)Cl)c2ccccc2Cl","",1,"2,4'-DICHLORODIPHENYL ETHER(1)","6903-65-7(1)","3793","High Reliability"]
[918,"Clc1cc(Oc2ccccc2)cc(Cl)c1\n\n\n","Clc1cc(Oc2ccccc2)cc(c1)Cl","O(c1ccccc1)c2cc(cc(c2)Cl)Cl","",1,"3,5-Dichlorodiphenyl ether(1)","24910-68-7(1)","4370","High Reliability","Checked on PubChem, Checked on ChemID"]
[919,"Clc1cc(Oc2ccccc2)c(Cl)cc1\n\n\n","Clc1ccc(c(c1)Oc1ccccc1)Cl","O(c1ccccc1)c2cc(ccc2Cl)Cl","",1,"2,5-Dichlorodiphenyl ether(1)","24910-69-8(1)","4371","Medium Reliability"]
[920,"Clc1cc(Cl)c(Oc2ccccc2)cc1\n\n\n","Clc1ccc(c(c1)Cl)Oc1ccccc1","O(c1ccccc1)c2ccc(cc2Cl)Cl","",1,"2,4-Dichlorodiphenyl ether(1)","51892-26-3(1)","4821","Medium Reliability"]
[921,"CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)-c2c(Cl)cc(Cl)cc2\nCCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(n1)C(Cl)(Cl)Cl\n\n","CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)c1ccc(cc1Cl)Cl","O=C(OCC)c1nc(n(n1)c2ccc(cc2Cl)Cl)C(Cl)(Cl)Cl","",1,"FENCHLORAZOLE-ETHYL(1)","103112-35-2(1)","5479","High Reliability"]
[922,"ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl\n\n\n","ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C=C2)(Cl)Cl)Cl","C1=CC2CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl","",1,"ALDRIN(1)","309-00-2(1)","1716","High Reliability","Stereochemistry removed"]
[923,"[H]C12C3([H])CC(C=O)C4([H])C3([H])C5(Cl)C1(Cl)C2(Cl)C4(Cl)C5(Cl)Cl\nClC1(Cl)C2(Cl)C3C(CC4C3C1(Cl)C5(Cl)C4C25Cl)C=O\n\n","O=CC1CC2C3C1C1(Cl)C(C3(C3(C2C13Cl)Cl)Cl)(Cl)Cl","O=CC1CC2C3C1C4(C5(C2C5(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl","",1,"ENDRIN ALDEHYDE(1)","7421-93-4(1)","3841","High Reliability","Stereochemistry removed"]
[924,"ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl\n\n\n","ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl","O1C2C1C3CC2C4C3C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl","",2,"DIELDRIN(1), ENDRIN(1)","60-57-1(1), 72-20-8(1)","192, 293","High Reliability","Stereochemistry removed"]
[925,"Ic1cc2c(Nc3ccccc3S2)cc1\n\n\n","Ic1ccc2c(c1)Sc1c(N2)cccc1","c1ccc3c(c1)Nc2ccc(cc2S3)I","",1,"Phenothiazine, 3-iodo-(1)","3939-24-0(1)","3446","Medium Reliability"]
[926,"c1cc2c(nc1)c3c(cccn3)cc2\nc1cnc2c(c1)ccc3cccnc23\n\n","c1ccc2c(n1)c1ncccc1cc2","n2cccc3ccc1cccnc1c23","",1,"O-PHENANTHROLINE(1)","66-71-7(1)","244","High Reliability"]
[927,"c1cnc2c(c1)ccc3ncccc23\n\n\n","c1cnc2c(c1)ccc1c2cccn1","n1cccc3c1ccc2cccnc23","",1,"1,7-PHENANTHROLINE(1)","230-46-6(1)","1666","High Reliability","Checked on PubChem, Checked on ChemID"]
[928,"Oc1c(c(-c2ccccc2)c(cc1)N(=O)=O)N(=O)=O\nOc1ccc(c(-c2ccccc2)c1[N+]([O-])=O)[N+]([O-])=O\n\n","[O-][N+](=O)c1ccc(c(c1c1ccccc1)[N+](=O)[O-])O","O=[N+]([O-])c2ccc(O)c(c2(c1ccccc1))[N+](=O)[O-]","",1,"2,6-Dinitro-biphenyl-3-ol(1)","28174-58-5(1)","4458","Medium Reliability"]
[929,"Oc1c(cc(c(c1)-c2ccccc2)N(=O)=O)N(=O)=O\nOc1cc(-c2ccccc2)c(cc1[N+]([O-])=O)[N+]([O-])=O\n\n","[O-][N+](=O)c1cc([N+](=O)[O-])c(cc1c1ccccc1)O","O=[N+]([O-])c1cc(c(cc1(O))c2ccccc2)[N+](=O)[O-]","",1,"4,6-dinitro-biphenyl-3-ol(1)","21419-76-1(1)","4293","Medium Reliability"]
[930,"o1c2ccccc2c3c1cccc3\no1c2ccccc2c3ccccc13\n\n","c1ccc2c(c1)oc1c2cccc1","o2c1ccccc1c3ccccc23","",1,"DIBENZOFURAN(1)","132-64-9(1)","1505","High Reliability"]
[931,"O1c2ccccc2Oc3c1cccc3\n\n\n","c1ccc2c(c1)Oc1c(O2)cccc1","O1c3ccccc3(Oc2ccccc12)","",1,"DIBENZO-P-DIOXIN(1)","262-12-4(1)","1672","High Reliability"]
[932,"O=C1OCc2c1c3ccccc3cc2\nO=C1OCc2ccc3ccccc3c12\n\n","O=C1OCc2c1c1ccccc1cc2","O=C2OCc3ccc1ccccc1c23","",1,"Naphtho[1,2-c]furan-1(3H)-one(1)","5657-01-2(1)","3648","High Reliability"]
[933,"O=C1Cc2c(O1)ccc3ccccc23\n\n\n","O=C1Oc2c(C1)c1ccccc1cc2","O=C3Oc2ccc1ccccc1c2C3","",1,"naphtho[2,1-b]furan-2(1)h-one(1)","4352-63-0(1)","3482","Medium Reliability","Name verified in PubChem"]
[934,"COc1c2oc(=O)ccc2cc3c1occ3\n\n\n","COc1c2oc(=O)ccc2cc2c1occ2","O=C1Oc2c(OC)c3occc3(cc2(C=C1))","",1,"Methoxsalen(1)","298-81-7(1)","1695","High Reliability"]
[935,"OS(=O)(=O)c1cc2c(oc3ccccc23)cc1\nOS(=O)(=O)c1ccc2oc3ccccc3c2c1\n[O-]S(=O)(=O)c1ccc2oc3ccccc3c2c1\n","OS(=O)(=O)c1ccc2c(c1)c1ccccc1o2","O=S(=O)(O)c2ccc3oc1ccccc1c3(c2)","",1,"2-Dibenzofuransulfonic acid(1)","83863-63-2(1)","5296","High Reliability"]
[936,"s1c2c(cccc2)c3c1cccc3\ns1c2ccccc2c3ccccc13\n\n","c1ccc2c(c1)sc1c2cccc1","c1ccc3c(c1)c2ccccc2s3","",1,"DIBENZOTHIOPHENE(1)","132-65-0(1)","1506","High Reliability"]
[937,"Brc1ccc(cc1)-c2ccccc2\n\n\n","Brc1ccc(cc1)c1ccccc1","c1ccc(cc1)c2ccc(cc2)Br","",1,"4-BROMOBIPHENYL(1)","92-66-0(1)","689","High Reliability"]
[938,"Clc1cccc(c1)-c2ccccc2\n\n\n","Clc1cccc(c1)c1ccccc1","c1ccc(cc1)c2cccc(c2)Cl","",1,"3-CHLOROBIPHENYL(1)","2051-61-8(1)","3085","High Reliability"]
[939,"Clc1ccc(cc1)-c2ccccc2\n\n\n","Clc1ccc(cc1)c1ccccc1","c1ccc(cc1)c2ccc(cc2)Cl","",1,"4-CHLOROBIPHENYL(1)","2051-62-9(1)","3086","High Reliability"]
[940,"Clc1c(cccc1)-c2ccccc2\nClc1ccccc1-c2ccccc2\n\n","Clc1ccccc1c1ccccc1","c1ccc(cc1)c2ccccc2Cl","",1,"2-CHLOROBIPHENYL(1)","2051-60-7(1)","3084","High Reliability"]
[941,"CC1(OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2)C=C\n\n\n","C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl","O=C1OC(C=C)(C(=O)N1c2cc(cc(c2)Cl)Cl)C","",1,"VINCLOZOLIN(1)","50471-44-8(1)","4783","High Reliability"]
[942,"CNc1c(Cl)c(=O)n(nc1)-c2cccc(c2)C(F)(F)F\n\n\n","CNc1cnn(c(=O)c1Cl)c1cccc(c1)C(F)(F)F","O=C1C(=C(C=NN1c2cccc(c2)C(F)(F)F)NC)Cl","",1,"NORFLURAZON(1)","27314-13-2(1)","4444","High Reliability"]
[943,"Clc1ccc(cc1)N=Nc2ccccc2\n\n\n","Clc1ccc(cc1)N=Nc1ccccc1","N(=Nc1ccc(cc1)Cl)c2ccccc2","",1,"4-CHLOROAZOBENZENE(1)","4340-77-6(1)","3480","High Reliability","Checked on PubChem, Checked on ChemID"]
[944,"Nc1c(ccc(Oc2ccccc2)c1Cl)[N+]([O-])=O\n\n\n","Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1","O=[N+]([O-])c2ccc(Oc1ccccc1)c(c2(N))Cl","",1,"ACLONIFEN(1)","74070-46-5(1)","5190","High Reliability"]
[945,"Clc1cccc(Oc2ccccc2)c1\n\n\n","Clc1cccc(c1)Oc1ccccc1","O(c1ccccc1)c2cccc(c2)Cl","",1,"3-chlorodiphenylether(1)","6452-49-9(1)","3754","High Reliability","Name verified in PubChem"]
[946,"Clc1ccc(Oc2ccccc2)cc1\n\n\n","Clc1ccc(cc1)Oc1ccccc1","O(c1ccccc1)c2ccc(cc2)Cl","",1,"4-CHLOROPHENYL PHENYL ETHER(1)","7005-72-3(1)","3808","High Reliability"]
[947,"Clc1ccccc1Oc2ccccc2\n\n\n","Clc1ccccc1Oc1ccccc1","O(c1ccccc1)c2ccccc2Cl","",1,"2-Chlorodiphenyl ether(1)","2689-07-8(1)","3275","High Reliability"]
[948,"Cc1nc2nc(nn2cc1)S(=O)(=O)Nc3c(F)cccc3F\n\n\n","Cc1ccn2c(n1)nc(n2)S(=O)(=O)Nc1c(F)cccc1F","O=S(=O)(Nc1c(F)cccc1(F))c2nc3nc(ccn3(n2))C","",1,"FLUMETSULAM(1)","98967-40-9(1)","5434","High Reliability"]
[949,"[nH]1c2ccccc2c3c1cccc3\n[nH]1c2ccccc2c3ccccc13\n\n","c1ccc2c(c1)[nH]c1c2cccc1","c1ccc3c(c1)[nH]c2ccccc23","",1,"CARBAZOLE(1)","86-74-8(1)","575","High Reliability"]
[950,"Oc1ccc(cc1)N=Nc2ccc(cc2)[N+]([O-])=O\n[O-][N+](=O)c1ccc(NN=C2C=CC(=O)C=C2)cc1\n\n","Oc1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c2ccc(N=Nc1ccc(O)cc1)cc2","",1,"4-(4-NITROPHENYLAZO)PHENOL(1)","1435-60-5(1)","2902","High Reliability"]
[951,"[O-][N+](=O)c1cc(c(Nc2ccccc2)cc1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc(ccc1Nc1ccccc1)[N+](=O)[O-]","O=[N+]([O-])c2ccc(Nc1ccccc1)c(c2)[N+](=O)[O-]","",1,"2,4-DINITRO-N-PHENYLBENZENAMINE(1)","961-68-2(1)","2778","High Reliability"]
[952,"Oc1ccc(Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1\n\n\n","Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c2ccc(Nc1ccc(O)cc1)c(c2)[N+](=O)[O-]","",1,"P-(2,4-DINITROANILINE)PHENOL(1)","119-15-3(1)","1332","Medium Reliability"]
[953,"Oc1ncnc2c1cnn2COC(=O)c3cnccc3\n\n\n","O=C(c1cccnc1)OCn1ncc2c1ncnc2O","O=C(OCn2ncc1c(O)ncnc12)c3cnccc3","",1,"ALLOPURINOL, 1-[NICOTINOYLOXYMETHYL]-(1)","98846-66-3(1)","5432","Medium Reliability","Checked on PubChem"]
[954,"[O-][N+](=O)c1ccc2CCc3cccc1c23\n\n\n","[O-][N+](=O)c1ccc2c3c1cccc3CC2","O=[N+]([O-])c3ccc2c1c3(cccc1CC2)","",1,"ACENAPHTHYLENE, 1,2-DIHYDRO-5-NITRO-(1)","602-87-9(1)","2370","High Reliability"]
[955,"[O-][N+](=O)c1ccc(cc1)-c2ccccc2\n\n\n","[O-][N+](=O)c1ccc(cc1)c1ccccc1","O=[N+]([O-])c1ccc(cc1)c2ccccc2","",1,"P-NITROBIPHENYL(1)","92-93-3(1)","694","High Reliability"]
[956,"Oc1c(cc(cc1)-c2ccccc2)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc(ccc1O)c1ccccc1","O=[N+]([O-])c1cc(ccc1(O))c2ccccc2","",1,"4-PHENYL-2-NITROPHENOL(1)","885-82-5(1)","2731","Medium Reliability"]
[957,"Oc1c(ccc(c1)-c2ccccc2)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(cc1O)c1ccccc1","O=[N+]([O-])c1ccc(cc1(O))c2ccccc2","",1,"[1,1'-Biphenyl]-3-ol, 4-nitro-(1)","18062-89-0(1)","4178","High Reliability"]
[958,"Oc1cc2c(Nc3ccccc3S2)cc1\n\n\n","Oc1ccc2c(c1)Sc1c(N2)cccc1","Oc2ccc3Nc1ccccc1Sc3(c2)","",1,"10H-Phenothiazin-3-ol(1)","1927-44-2(1)","3031","High Reliability"]
[959,"N1c2ccccc2Sc3c1cccc3\n\n\n","c1ccc2c(c1)Sc1c(N2)cccc1","c1ccc3c(c1)Nc2ccccc2S3","",1,"PHENOTHIAZINE(1)","92-84-2(1)","691","High Reliability"]
[960,"Clc1cc2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c23)c(Cl)c1Cl\n\n\n","Clc1cc2c(c(c1Cl)Cl)oc1c2c(Cl)c(c(c1Cl)Cl)Cl","o2c1c(cc(c(c1Cl)Cl)Cl)c3c2c(c(c(c3Cl)Cl)Cl)Cl","",1,"DIBENZOFURAN, 1,2,3,4,6,7,8-HEPTACHLORO-(1)","67562-39-4(1)","5084","High Reliability"]
[961,"Clc1c(Cl)c(Cl)c2Oc3c(Oc2c1)c(Cl)c(Cl)c(Cl)c3Cl\nClc1cc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2c(Cl)c1Cl\n\n","Clc1c(Cl)cc2c(c1Cl)Oc1c(O2)c(Cl)c(c(c1Cl)Cl)Cl","O1c3cc(c(c(c3(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl))Cl)Cl)Cl","",1,"1,2,3,4,6,7,8-HEPTACHLORODIBENZO-P-DIOXIN(1)","35822-46-9(1)","4623","High Reliability"]
[962,"Clc1cc(Cl)c(Cl)c(Cl)c1-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\nClc1cc(Cl)c(c(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1c(Cl)cc(c(c1Cl)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl","c2c(c(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c(c(c2Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,3',4,4',5,6,6'-nonachloro-(1)","52663-79-3(1)","4857","High Reliability"]
[963,"Clc1cc(Cl)c(Cl)c(c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n\n","Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)c1c(Cl)c(Cl)cc(c1Cl)Cl","c2c(c(c(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c(c2Cl)Cl)Cl)Cl","",1,"2,3,4,5,6,2',3',5',6'-PCB(1)","52663-77-1(1)","4855","Medium Reliability"]
[964,"Clc1cc(c(Cl)c(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n\n","Clc1cc(c(c(c1Cl)Cl)Cl)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl","c2c(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl","",2,"2,2',3,3',4,4',5,5',6-NONACHLOROBIPHENYL(1), NONACHLORO-1,1'-BIPHENYL(1)","40186-72-9(1), 53742-07-7(1)","4729, 4875","High Reliability","Checked on PubChem, Checked on ChemID"]
[965,"C1c2c(cccc2)-c3c1cccc3\nC1c2ccccc2-c3ccccc13\n\n","c1ccc2c(c1)Cc1c2cccc1","c1ccc3c(c1)c2ccccc2C3","",1,"9H-FLUORENE(1)","86-73-7(1)","574","High Reliability"]
[966,"COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c2ccccc2\n\n\n","COP(=S)(c1ccccc1)Oc1cc(Cl)c(cc1Cl)Br","O(c1cc(c(cc1Cl)Br)Cl)P(OC)(c2ccccc2)=S","",1,"LEPTOPHOS(1)","21609-90-5(1)","4298","High Reliability"]
[967,"Oc1c(Cl)cc(Cl)cc1Cc2ccccc2\n\n\n","Clc1cc(Cc2ccccc2)c(c(c1)Cl)O","Oc1c(cc(cc1Cl)Cl)Cc2ccccc2","",1,"Phenol, 2,4-dichloro-6-(phenylmethyl)-(1)","19578-81-5(1)","4231","High Reliability"]
[968,"COc1cc2c(Nc3c(S2)ccc(Cl)c3)cc1\n\n\n","COc1ccc2c(c1)Sc1c(N2)cc(cc1)Cl","O(c2ccc3Nc1cc(ccc1Sc3(c2))Cl)C","",1,"10H-Phenothiazine, 2-chloro-7-methoxy-(1)","1730-44-5(1)","2973","High Reliability"]
[969,"ON(C(=O)c1ccccc1I)c2ccccc2\n\n\n","Ic1ccccc1C(=O)N(c1ccccc1)O","O=C(c1ccccc1I)N(O)c2ccccc2","",1,"Benzamide, N-hydroxy-2-iodo-N-phenyl-(1)","37433-80-0(1)","4644","Medium Reliability"]
[970,"Nc1cccc2cc3ccccc3nc12\nNc1cccc2c1cc3ccccc3n2\n\n","Nc1cccc2c1nc1ccccc1c2","n1c3ccccc3(cc2cccc(N)c12)","",1,"1-aminoacridine(1)","578-06-3(1)","2216","High Reliability","Name verified in PubChem"]
[971,"OC(=O)c1ccc(NC(=O)c2cnccc2)cc1\n\n\n","O=C(c1cccnc1)Nc1ccc(cc1)C(=O)O","O=C(O)c1ccc(cc1)NC(=O)c2cnccc2","",1,"Benzoic acid, 4-[(3-pyridinylcarbonyl)amino]-(1)","5768-40-1(1)","3660","High Reliability"]
[972,"OC(=O)c1c(O)ccc(c1)N=Nc2ccccc2\nOC(=O)c1cc(ccc1O)N=Nc2ccccc2\nOC(=O)C1=CC(C=CC1=O)=NNc2ccccc2\n","OC(=O)c1cc(N=Nc2ccccc2)ccc1O","O=C(O)c2cc(N=Nc1ccccc1)ccc2(O)","",1,"Benzoic acid, 2-hydroxy-5-(phenylazo)-(1)","3147-53-3(1)","3338","High Reliability","Stereochemistry removed"]
[973,"O=C1N(C2CCC(=O)NC2=O)C(=O)c3ccccc13\n\n\n","O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2","O=C3NC(=O)C(N2C(=O)c1ccccc1C2(=O))CC3","",1,"THALIDOMIDE(1)","50-35-1(1)","20","High Reliability"]
[974,"[Na+].[Na+].Oc1c(cc(cc1)N=Nc2ccc(cc2)S([O-])(=O)=O)C([O-])=O\n\n\n","OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)O)ccc1O","O=C(O)c2cc(N=Nc1ccc(cc1)S(=O)(=O)O)ccc2(O)","",1,"C.I. 14010(1)","6054-99-5(1)","3698","Medium Reliability","Organic counterion, Checked on PubChem, Checked on ChemID"]
[975,"Oc1ncnc2c1cnn2COC(=O)c3ccccc3\n\n\n","O=C(c1ccccc1)OCn1ncc2c1ncnc2O","O=C(OCn2ncc1c(O)ncnc12)c3ccccc3","",1,"ALLOPURINOL, 1-[BENZOYLOXYMETHYL]-(1)","98846-65-2(1)","5431","Medium Reliability","Checked on PubChem"]
[976,"O=C(c1ccccc1)c2ccccc2\n\n\n","O=C(c1ccccc1)c1ccccc1","O=C(c1ccccc1)c2ccccc2","",1,"BENZOPHENONE(1)","119-61-9(1)","1342","High Reliability"]
[977,"Oc1c(cccc1)C(=O)Oc2ccccc2\nOc1ccccc1C(=O)Oc2ccccc2\n\n","O=C(c1ccccc1O)Oc1ccccc1","O=C(Oc1ccccc1)c2ccccc2(O)","",1,"PHENYL 2-HYDROXYBENZOATE(1)","118-55-8(1)","1321","High Reliability"]
[978,"Oc1cc(O)c(C(=O)c2ccccc2)c(O)c1\n\n\n","Oc1cc(O)c(c(c1)O)C(=O)c1ccccc1","O=C(c1ccccc1)c2c(O)cc(O)cc2(O)","",1,"2,4,6-Trihydroxybenzophenone(1)","3555-86-0(1)","3395","High Reliability"]
[979,"Oc1cc(O)c(C(=O)c2cc(O)c(O)cc2)c(O)c1\nOc1cc(O)c(c(O)c1)C(=O)c2ccc(O)c(O)c2\n\n","Oc1cc(O)c(c(c1)O)C(=O)c1ccc(c(c1)O)O","O=C(c1ccc(O)c(O)c1)c2c(O)cc(O)cc2(O)","",1,"Maclurin(1)","519-34-6(1)","1980","High Reliability"]
[980,"CC12CC1(C)C(=O)N(C2=O)c3cc(Cl)cc(Cl)c3\n\n\n","O=C1N(c2cc(Cl)cc(c2)Cl)C(=O)C2(C1(C)C2)C","O=C2N(c1cc(cc(c1)Cl)Cl)C(=O)C3(C)(CC23(C))","",1,"PROCYMIDONE(1)","32809-16-8(1)","4550","High Reliability"]
[981,"CCOC(=O)C1(C)OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2\n\n\n","CCOC(=O)C1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl","O=C1OC(C(=O)OCC)(C(=O)N1c2cc(cc(c2)Cl)Cl)C","",2,"CHLOZOLINATE(1), Chlozolinate(1)","72391-46-9(1), 84332-86-5(1)","5173, 5298","High Reliability"]
[982,"CCc1c(C(O)=O)c(=O)cnn1-c2ccc(Cl)cc2\n\n\n","CCc1c(C(=O)O)c(=O)cnn1c1ccc(cc1)Cl","O=C(O)C=2C(=O)C=NN(c1ccc(cc1)Cl)C=2CC","",1,"Clofencet(1)","129025-54-3(1)","5670","High Reliability"]
[983,"Oc1c(Cc2ccccc2)cc(Cl)cc1\n\n\n","Clc1ccc(c(c1)Cc1ccccc1)O","Oc1ccc(cc1Cc2ccccc2)Cl","",1,"5-CHLORO-2-HYDROXYDIPHENYLMETHANE(1)","120-32-1(1)","1355","High Reliability"]
[984,"OC(c1ccccc1)c2ccc(Cl)cc2\n\n\n","Clc1ccc(cc1)C(c1ccccc1)O","OC(c1ccccc1)c2ccc(cc2)Cl","",1,"BENZENEMETHANOL, 4-CHLORO-.ALPHA.-PHENYL-(1)","119-56-2(1)","1341","High Reliability"]
[985,"Nc1cc2nc3cc(N)ccc3cc2cc1\nCl.Nc1cc2nc3cc(N)ccc3cc2cc1\n[H+].[H+].[Cl-].[Cl-].Nc1ccc2cc3ccc(N)cc3nc2c1\nO.[Cl-].[Cl-].Nc1ccc2cc3ccc(N)cc3nc2c1.Nc1ccc2cc3ccc(N)cc3nc2c1.[H+].[H+]","Nc1ccc2c(c1)nc1c(c2)ccc(c1)N","n1c3cc(N)ccc3(cc2ccc(N)cc12)","",2,"3,6-DIAMINOACRIDINE(1), Proflavine hydrochloride(1)","92-62-6(1), 952-23-8(1)","688, 2772","High Reliability","Differences in counterions, Organic counterion"]
[986,"OC(N=C(O)c1cnccc1)=Nc2ccccc2\nO=C(NC(=O)c1cccnc1)Nc2ccccc2\n\n","OC(=Nc1ccccc1)N=C(c1cccnc1)O","OC(N=C(O)c1cnccc1)=Nc2ccccc2","",1,"3-Pyridinecarboxamide, N-[(phenylamino)carbonyl](1)","26972-01-0(1)","4437","Medium Reliability"]
[987,"Oc1c(C=NNC(=O)c2ccncc2)cccc1\nO=C(NNC=C1C=CC=CC1=O)c2ccncc2\n\n","O=C(c1ccncc1)NN=Cc1ccccc1O","O=C(NN=Cc1ccccc1(O))c2ccncc2","",1,"Salinazid(1)","495-84-1(1)","1891","High Reliability","Stereochemistry removed"]
[988,"ON=C1C=CC(C=C1)=NNC(=O)c2ccccc2\nO=Nc1ccc(NNC(=O)c2ccccc2)cc1\n\n","ON=C1C=CC(=NNC(=O)c2ccccc2)C=C1","O=C(NN=C1C=CC(=NO)C=C1)c2ccccc2","",1,"BAYER 15080(1)","495-73-8(1)","1890","High Reliability"]
[989,"Nc1ccc(cc1)S(=O)(=O)Nc2sc3ccccc3n2\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)cccc2","O=S(=O)(Nc2nc1ccccc1s2)c3ccc(N)cc3","",1,"Benzenesulfonamide, 4-amino-N-2-benzothiazolyl-(1)","6138-01-8(1)","3705","Medium Reliability","Checked on PubChem"]
[990,"Oc1c(cccc1)C(=O)Nc2ccccc2\nOc1ccccc1C(=O)Nc2ccccc2\n\n","O=C(c1ccccc1O)Nc1ccccc1","O=C(Nc1ccccc1)c2ccccc2(O)","",1,"SALICYLANILIDE(1)","87-17-2(1)","582","High Reliability"]
[991,"Nc1cc(O)c(cc1)C(=O)Oc2ccccc2\nNc1ccc(c(O)c1)C(=O)Oc2ccccc2\n\n","Nc1ccc(c(c1)O)C(=O)Oc1ccccc1","O=C(Oc1ccccc1)c2ccc(N)cc2(O)","",1,"PHENYL-4-AMINOSALICYLATE(1)","133-11-9(1)","1511","Medium Reliability"]
[992,"Oc1cc(cc(O)c1O)C(=O)Nc2ccccc2\n\n\n","O=C(c1cc(O)c(c(c1)O)O)Nc1ccccc1","O=C(Nc1ccccc1)c2cc(O)c(O)c(O)c2","",1,"Benzamide, 3,4,5-trihydroxy-N-phenyl-(1)","6262-27-7(1)","3722","High Reliability"]
[993,"CCn1cc(C(O)=O)c(=O)c2cc3c(OCO3)cc12\n\n\n","CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2","O=C(O)C1=CN(c2cc3OCOc3(cc2(C1(=O))))CC","",1,"OXOLINIC ACID(1)","14698-29-4(1)","4041","High Reliability"]
[994,"CN1c2ccccc2Sc3c1cccc3\nCN1c2ccccc2Sc3ccccc13\n\n","CN1c2ccccc2Sc2c1cccc2","c1ccc3c(c1)N(c2ccccc2S3)C","",1,"10H-phenothiazine, 10-methyl-(1)","1207-72-3(1)","2875","High Reliability"]
[995,"Cc1ccc(cc1)-c2ccccc2\n\n\n","Cc1ccc(cc1)c1ccccc1","c1ccc(cc1)c2ccc(cc2)C","",1,"4-METHYL-1,1'-BIPHENYL(1)","644-08-6(1)","2609","High Reliability"]
[996,"C(c1ccccc1)c2ccccc2\n\n\n","c1ccc(cc1)Cc1ccccc1","c1ccc(cc1)Cc2ccccc2","",1,"BENZENE, 1,1'-METHYLENEBIS-(1)","101-81-5(1)","912","High Reliability"]
[997,"Clc1cc(Cl)c(cc1)C2(Cn3cncn3)CC(Br)CO2\nClc1ccc(c(Cl)c1)C2(CC(Br)CO2)Cn3cncn3\n\n","BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl","n1cnn(c1)CC2(OCC(C2)Br)(c3ccc(cc3Cl)Cl)","",1,"BROMUCONAZOLE(1)","116255-48-2(1)","5603","High Reliability"]
[998,"Nc1c(Cl)cc(Cc2cc(Cl)c(N)cc2)cc1\n\n\n","Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N","Nc1ccc(cc1Cl)Cc2ccc(N)c(c2)Cl","",1,"4,4'-METHYLENEBIS(2-CHLOROANILINE)(1)","101-14-4(1)","905","High Reliability"]
[999,"Oc1cc2ccccc2cc1C3=NCCN3\n\n\n","Oc1cc2ccccc2cc1C1=NCCN1","Oc1cc3ccccc3(cc1C2=NCCN2)","",1,"2-Naphthol, 3-(2-imidazolin-2-yl)-(1)","16173-26-5(1)","4095","Medium Reliability"]
[1000,"O=C(Nc1ccccc1)Nc2ccccc2\n\n\n","O=C(Nc1ccccc1)Nc1ccccc1","O=C(Nc1ccccc1)Nc2ccccc2","",1,"DIPHENYLUREA, SYM(1)","102-07-8(1)","915","Medium Reliability"]
[1001,"C=CCC1(C(=O)NC(=O)NC1=O)c2ccccc2\n\n\n","C=CCC1(C(=O)NC(=O)NC1=O)c1ccccc1","O=C1NC(=O)C(C(=O)N1)(c2ccccc2)CC=C","",1,"PHENALLYMAL(1)","115-43-5(1)","1283","High Reliability"]
[1002,"Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2\n\n\n","Nc1ccc(cc1)S(=O)(=O)NC(=O)c1ccccc1","O=C(NS(=O)(=O)c1ccc(N)cc1)c2ccccc2","",1,"Benzamide, N- (4-aminophenyl)sulfonyl -(1)","127-71-9(1)","1477","Medium Reliability"]
[1003,"OC(c1ccccc1)c2ccccc2\n\n\n","OC(c1ccccc1)c1ccccc1","OC(c1ccccc1)c2ccccc2","",1,"BENZHYDROL(1)","91-01-0(1)","661","High Reliability"]
[1004,"Oc1ccc(Cc2ccccc2)cc1\n\n\n","Oc1ccc(cc1)Cc1ccccc1","Oc1ccc(cc1)Cc2ccccc2","",1,"4-HYDROXYDIPHENYLMETHANE(1)","101-53-1(1)","910","High Reliability"]
[1005,"CCOc1ccc(C(O)=O)c2ccccc12\n\n\n","CCOc1ccc(c2c1cccc2)C(=O)O","O=C(O)c1ccc(OCC)c2ccccc12","",1,"1-Naphthoic acid, 4-ethoxy-(1)","19692-24-1(1)","4235","Medium Reliability","Checked on PubChem"]
[1006,"CC(C)NC(=O)N1CC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2\n\n\n","CC(NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)C","O=C(NC(C)C)N2C(=O)N(c1cc(cc(c1)Cl)Cl)C(=O)C2","",1,"ROVRAL (IPRODIONE)(1)","36734-19-7(1)","4636","Medium Reliability"]
[1007,"N=C(Nc1ccccc1)Nc2ccccc2\nNC(Nc1ccccc1)=Nc2ccccc2\n\n","N=C(Nc1ccccc1)Nc1ccccc1","N=C(Nc1ccccc1)Nc2ccccc2","",1,"N,N'-DIPHENYLGUANIDINE(1)","102-06-7(1)","914","High Reliability"]
[1008,"COP(=O)(Oc1ccccc1)Oc2ccccc2\n[O-]P([O-])(=O)OC(c1ccccc1)c2ccccc2\n\n","COP(=O)(Oc1ccccc1)Oc1ccccc1","O=P(Oc1ccccc1)(Oc2ccccc2)OC","",1,"diphenylmethylphosphate(1)","115-89-9(1)","1291","Medium Reliability","Name verified in PubChem"]
[1009,"CC(C)c1cccc2ccccc12\n\n\n","CC(c1cccc2c1cccc2)C","c1ccc2c(c1)cccc2C(C)C","",1,"ISOPROPYLNAPHTHALENE(1)","29253-36-9(1)","4479","High Reliability","Checked on PubChem, Checked on ChemID"]
[1010,"Cc1cc2cc(C)c(C)cc2cc1\n\n\n","Cc1ccc2c(c1)cc(c(c2)C)C","c1cc(cc2cc(c(cc12)C)C)C","",1,"2,3,6-TRIMETHYLNAPHTHALENE(1)","829-26-5(1)","2706","High Reliability"]
[1011,"Cc1ccc(C)c2c(C)cccc12\n\n\n","Cc1ccc(c2c1cccc2C)C","c1cc2c(c(c1)C)c(ccc2C)C","",1,"1,4,5-TRIMETHYLNAPHTHALENE(1)","2131-41-1(1)","3101","High Reliability"]
[1012,"CCN(CC(C)=C)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O\n\n\n","CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC(=C)C","O=[N+]([O-])c1cc(cc(c1N(CC(=C)C)CC)[N+](=O)[O-])C(F)(F)F","",1,"ETHALFLURALIN(1)","55283-68-6(1)","4905","High Reliability"]
[1013,"Nc1ccc(Cc2ccc(N)cc2)cc1\n\n\n","Nc1ccc(cc1)Cc1ccc(cc1)N","Nc1ccc(cc1)Cc2ccc(N)cc2","",1,"DI-(P-AMINOPHENYL)METHANE(1)","101-77-9(1)","911","Medium Reliability"]
[1014,"CCOc1c2ncccc2c(cc1)N=C(C)O\nCCOc1ccc(NC(C)=O)c2cccnc12\n\n","CCOc1ccc(c2c1nccc2)N=C(O)C","OC(=Nc1ccc(OCC)c2ncccc12)C","",1,"Quinoline, 5-acetamido-8-ethoxy-(1)","100795-24-2(1)","5452","Medium Reliability"]
[1015,"CC(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O\nCC(=O)NC(Cc1c[nH]c2ccccc12)C([O-])=O\n\n","CC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2","O=C(O)C(NC(=O)C)Cc2c[nH]c1ccccc12","",1,"N-acetyl-DL-tryptophan(1)","87-32-1(1)","585","Medium Reliability","Stereochemistry removed"]
[1016,"CN1C(=O)C23CC4=CC=CC(O)C4N2C(=O)C1(CO)SS3\n\n\n","OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C","O=C2N(C)C4(C(=O)N3C1C(=CC=CC1(O))CC23SS4)(CO)","",1,"GLIOTOXIN(1)","67-99-2(1)","257","High Reliability","Stereochemistry removed"]
[1017,"CCCC(Cn1cncn1)c2c(Cl)cc(Cl)cc2\nCCCC(Cn1cncn1)c2ccc(Cl)cc2Cl\n\n","CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1","n1cnn(c1)CC(c2ccc(cc2Cl)Cl)CCC","",1,"Penconazole(1)","66246-88-6(1)","5060","High Reliability"]
[1018,"COC(=O)c1c(n(C)nc1Cl)S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2\n\n\n","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl","O=C(OC)c1c(nn(c1S(=O)(=O)NC(=O)Nc2nc(OC)cc(n2)OC)C)Cl","",1,"HALOSULFURON-METHYL(1)","100784-20-1(1)","5451","High Reliability"]
[1019,"CN(C)C(=O)Oc1cc(C)nn1-c2ccccc2\n\n\n","O=C(N(C)C)Oc1cc(nn1c1ccccc1)C","O=C(Oc1cc(nn1c2ccccc2)C)N(C)C","",1,"PYROLAN(1)","87-47-8(1)","589","High Reliability"]
[1020,"CC(C)C1(C)N=C(NC1=O)c2ncccc2C(O)=O\n\n\n","CC(C1(C)N=C(NC1=O)c1ncccc1C(=O)O)C","O=C(O)c2cccnc2(C1=NC(C(=O)N1)(C)C(C)C)","",1,"IMAZAPYR(1)","81334-34-1(1)","5261","High Reliability"]
[1021,"CC(=O)N(c1c(C)c(C)no1)S(=O)(=O)c2ccc(N)cc2\n\n\n","Nc1ccc(cc1)S(=O)(=O)N(c1onc(c1C)C)C(=O)C","O=C(N(c1onc(c1C)C)S(=O)(=O)c2ccc(N)cc2)C","",1,"Acetyl sulfisoxazole(1)","80-74-0(1)","500","Medium Reliability"]
[1022,"CC1=C(CCCO1)C(=O)Nc2ccccc2\n\n\n","O=C(C1=C(C)OCCC1)Nc1ccccc1","O=C(Nc1ccccc1)C2=C(OCCC2)C","",1,"PYRACARBOLID(1)","24691-76-7(1)","4363","High Reliability"]
[1023,"O=C(N1CCCCCC1=O)c2ccccc2\n\n\n","O=C1CCCCCN1C(=O)c1ccccc1","O=C(c1ccccc1)N2C(=O)CCCCC2","",1,"2H-Azepin-2-one, 1-benzoylhexahydro-(1)","6248-28-8(1)","3720","High Reliability"]
[1024,"CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+]([O-])=O\n\n\n","CC(=O)OC(C([N+](=O)[O-])COC(=O)C)c1ccccc1","O=C(OCC([N+](=O)[O-])C(OC(=O)C)c1ccccc1)C","",1,"Fenitropan(1)","65934-95-4(1)","5057","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1025,"CNC1(CCCCC1=O)c2c(Cl)cccc2\nCl.CNC1(CCCCC1=O)c2ccccc2Cl\nCNC1(CCCCC1=O)c2ccccc2Cl\n[H+].[Cl-].CNC1(CCCCC1=O)c2ccccc2Cl","CNC1(CCCCC1=O)c1ccccc1Cl","O=C2CCCCC2(NC)(c1ccccc1Cl)","",1,"KETAMINE(1)","1867-66-9(1)","3005","High Reliability","Differences in counterions"]
[1026,"CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O\n\n\n","CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC","O=[N+]([O-])c1cc(cc(c1N(CCC)CCC)[N+](=O)[O-])C(F)(F)F","",1,"TRIFLURALIN(1)","1582-09-8(1)","2934","High Reliability"]
[1027,"CCCCN(CC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O\n\n\n","CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC","O=[N+]([O-])c1cc(cc(c1N(CC)CCCC)[N+](=O)[O-])C(F)(F)F","",1,"BENEFIN(1)","1861-40-1(1)","3003","High Reliability"]
[1028,"COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(cnn2C)-c3nn(C)nn3)n1\n\n\n","COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C","O=C(Nc1nc(OC)cc(n1)OC)NS(=O)(=O)c2c(cnn2C)c3nnn(n3)C","",1,"Azimsulfuron(1)","120162-55-2(1)","5637","High Reliability"]
[1029,"[O-][N+](=O)c1ccc(o1)C=NN2CC(CN3CCOCC3)OC2=O\n\n\n","O=C1OC(CN1N=Cc1ccc(o1)[N+](=O)[O-])CN1CCOCC1","O=C2OC(CN2(N=Cc1oc(cc1)[N+](=O)[O-]))CN3CCOCC3","",1,"Furaltadone(1)","139-91-3(1)","1550","High Reliability","Stereochemistry removed"]
[1030,"CCOP(=S)(OCC)Oc1noc(c1)-c2ccccc2\n\n\n","CCOP(=S)(Oc1noc(c1)c1ccccc1)OCC","n1oc(cc1OP(OCC)(OCC)=S)c2ccccc2","",1,"ISOXATHION(1)","18854-01-8(1)","4211","High Reliability"]
[1031,"CCCCOC(=O)C=Cc1ccccc1\n\n\n","CCCCOC(=O)C=Cc1ccccc1","O=C(OCCCC)C=Cc1ccccc1","",1,"BUTYL CINNAMATE(1)","538-65-8(1)","2052","High Reliability","Stereochemistry removed"]
[1032,"OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O\n\n\n","OCC1OC(Oc2ccccc2C=O)C(C(C1O)O)O","O=Cc2ccccc2(OC1OC(CO)C(O)C(O)C1(O))","",1,"Helicin(1)","618-65-5(1)","2465","High Reliability","Stereochemistry removed"]
[1033,"CCOC(=O)CCCOc1c(C)cc(Cl)cc1\n\n\n","CCOC(=O)CCCOc1ccc(cc1C)Cl","O=C(OCC)CCCOc1ccc(cc1C)Cl","",1,"MCPB-ETHYL(1)","10443-70-6(1)","3920","Medium Reliability"]
[1034,"CCCN(CCC)c1c(c(N)c(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O\nCCCN(CCC)c1c(cc(c(N)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O\n\n","CCCN(c1c(cc(c(c1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-])CCC","O=[N+]([O-])c1cc(c(N)c(c1N(CCC)CCC)[N+](=O)[O-])C(F)(F)F","",1,"PRODIAMINE(1)","29091-21-2(1)","4473","High Reliability"]
[1035,"CN(C)c1c(C)n(C)n(c1=O)-c2ccccc2\n\n\n","CN(c1c(C)n(n(c1=O)c1ccccc1)C)C","O=C2C(=C(N(N2(c1ccccc1))C)C)N(C)C","",1,"AMINOPYRINE(1)","58-15-1(1)","145","High Reliability"]
[1036,"CN(C)C(=O)C(=O)N(N(C)C(C)=O)c1ccccc1\n\n\n","CN(C(=O)C(=O)N(N(C(=O)C)C)c1ccccc1)C","O=C(C(=O)N(C)C)N(c1ccccc1)N(C(=O)C)C","",1,"Dioxypyramidon(1)","519-65-3(1)","1981","High Reliability"]
[1037,"CCN(CC)C(=O)COC(=O)c1ccccc1\n\n\n","CCN(C(=O)COC(=O)c1ccccc1)CC","O=C(OCC(=O)N(CC)CC)c1ccccc1","",1,"BENZOIC ACID, 2-(DIETHYLAMINO)-2-OXOETHYL ESTER(1)","64649-63-4(1)","5043","Medium Reliability","Checked on PubChem"]
[1038,"CCOC(=O)C(Cc1ccccc1)N=C(C)O\nCCOC(=O)C(Cc1ccccc1)NC(C)=O\n\n","CCOC(=O)C(Cc1ccccc1)N=C(O)C","O=C(OCC)C(N=C(O)C)Cc1ccccc1","",1,"N-acetyl-L-phenylalanine, ethyl ester(1)","2361-96-8(1)","3175","High Reliability","Stereochemistry removed"]
[1039,"CCOC(=O)C(Cc1ccc(O)cc1)N=C(C)O\nCCOC(=O)C(Cc1ccc(O)cc1)NC(C)=O\n\n","CCOC(=O)C(Cc1ccc(cc1)O)N=C(O)C","O=C(OCC)C(N=C(O)C)Cc1ccc(O)cc1","",1,"L-TYROSINE, N-ACETYL-, ETHYL ESTER(1)","840-97-1(1)","2712","High Reliability","Stereochemistry removed"]
[1040,"CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1\n\n\n","CCCC(C(=O)Nc1ccc(c(c1)Cl)C)C","O=C(Nc1ccc(c(c1)Cl)C)C(C)CCC","",1,"PENTANOCHLOR(1)","2307-68-8(1)","3163","High Reliability"]
[1041,"COCCN(C(=O)CCl)c1c(C)cccc1C\n\n\n","COCCN(c1c(C)cccc1C)C(=O)CCl","O=C(N(c1c(cccc1C)C)CCOC)CCl","",1,"Dimethachlor(1)","50563-36-5(1)","4785","High Reliability"]
[1042,"O=c1[nH]c2c(CCC2)c(=O)n1C3CCCCC3\n\n\n","O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1","O=C1NC3=C(C(=O)N1C2CCCCC2)CCC3","",1,"LENACIL(1)","2164-08-1(1)","3113","High Reliability"]
[1043,"CCC1(C(=O)NC(=O)NC1=O)C2=CCCCCC2\n[Na+].CCC1(C(=O)NC(=O)[N-]C1=O)C2=CCCCCC2\n\n","CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1","O=C1NC(=O)C(C(=O)N1)(C2=CCCCCC2)CC","",1,"HEPTABARBITAL(1)","509-86-4(1)","1946","High Reliability","Differences in counterions"]
[1044,"NCCCCC(N=C(O)c1ccccc1)C(O)=O\nNCCCCC(NC(=O)c1ccccc1)C(O)=O\n\n","NCCCCC(C(=O)O)N=C(c1ccccc1)O","O=C(O)C(N=C(O)c1ccccc1)CCCCN","",1,"DL-lysine, N2-benzoyl-(1)","116783-33-6(1)","5611","Medium Reliability","Stereochemistry removed"]
[1045,"Cn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C\n\n\n","CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C","O=C2c1c(ncn1C)N(C(=O)N2CCCCC(=O)C)C","",1,"Pentoxifylline(1)","6493-05-6(1)","3762","High Reliability"]
[1046,"CC(C)Cc1ccc(cc1)C(C)C(O)=O\n\n\n","CC(Cc1ccc(cc1)C(C(=O)O)C)C","O=C(O)C(c1ccc(cc1)CC(C)C)C","",1,"IBUPROFEN(1)","15687-27-1(1)","4077","High Reliability"]
[1047,"CCCCCCOC(=O)c1ccc(O)cc1\n\n\n","CCCCCCOC(=O)c1ccc(cc1)O","O=C(OCCCCCC)c1ccc(O)cc1","",1,"HEXYL P-HYDROXYBENZOATE(1)","1083-27-8(1)","2820","High Reliability"]
[1048,"CCOC1Oc2c(cc(OS(C)(=O)=O)cc2)C1(C)C\nCCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C\n\n","CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C","O=S(=O)(Oc1ccc2OC(OCC)C(c2(c1))(C)C)C","",1,"ETHOFUMESATE(1)","26225-79-6(1)","4415","High Reliability"]
[1049,"OCC1OC(Oc2c(CO)cccc2)C(O)C(O)C1O\n\n\n","OCC1OC(Oc2ccccc2CO)C(C(C1O)O)O","OCc2ccccc2(OC1OC(CO)C(O)C(O)C1(O))","",1,"SALICIN(1)","138-52-3(1)","1540","High Reliability","Stereochemistry removed"]
[1050,"COP(=S)(OC)SCC(=O)N(C(C)C)c1ccc(Cl)cc1\n\n\n","COP(=S)(SCC(=O)N(c1ccc(cc1)Cl)C(C)C)OC","O=C(N(c1ccc(cc1)Cl)C(C)C)CSP(OC)(OC)=S","",1,"ANILOFOS(1)","64249-01-0(1)","5035","High Reliability"]
[1051,"CCCC(=O)N(CSP(=S)(OC)OC)c1ccccc1Cl\n\n\n","CCCC(=O)N(c1ccccc1Cl)CSP(=S)(OC)OC","O=C(N(c1ccccc1Cl)CSP(OC)(OC)=S)CCC","",1,"Phosmethylan(1)","83733-82-8(1)","5294","Medium Reliability"]
[1052,"CCCN(CCC)c1c(cc(C)cc1[N+]([O-])=O)[N+]([O-])=O\n\n\n","CCCN(c1c(cc(cc1[N+](=O)[O-])C)[N+](=O)[O-])CCC","O=[N+]([O-])c1cc(cc(c1N(CCC)CCC)[N+](=O)[O-])C","",1,"DIPROPALIN(1)","1918-08-7(1)","3026","High Reliability"]
[1053,"CCC(CC)Nc1c(c(C)c(C)cc1[N+]([O-])=O)[N+]([O-])=O\nCCC(CC)Nc1c(cc(C)c(C)c1[N+]([O-])=O)[N+]([O-])=O\n\n","CCC(Nc1c(cc(c(c1[N+](=O)[O-])C)C)[N+](=O)[O-])CC","O=[N+]([O-])c1cc(c(c(c1(NC(CC)CC))[N+](=O)[O-])C)C","",1,"PENDIMETHALIN(1)","40487-42-1(1)","4732","Medium Reliability"]
[1054,"CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)S(C)(=O)=O)[N+]([O-])=O\n\n\n","CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-])CCC","O=[N+]([O-])c1cc(cc(c1N(CCC)CCC)[N+](=O)[O-])S(=O)(=O)C","",1,"NITRALIN(1)","4726-14-1(1)","3527","High Reliability"]
[1055,"CCCCCCCOC(=O)c1cnccc1\n\n\n","CCCCCCCOC(=O)c1cccnc1","O=C(OCCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxylic acid, heptyl ester(1)","100618-60-8(1)","5449","Medium Reliability"]
[1056,"CCCC(C)c1cccc(OC(=O)NC)c1.CCC(CC)c1cccc(OC(=O)NC)c1\n\n\n","CCCC(c1cccc(c1)OC(=O)NC)C","O=C(Oc1cccc(c1)C(C)CCC)NC","",1,"BUFENCARB(1)","8065-36-9(1)","3890","High Reliability","Organic counterion, Checked on PubChem, Checked on ChemID"]
[1057,"CC(C)Cc1ccc(cc1)C(C)C(=O)NO\n\n\n","ONC(=O)C(c1ccc(cc1)CC(C)C)C","O=C(NO)C(c1ccc(cc1)CC(C)C)C","",1,"Ibuproxam(1)","53648-05-8(1)","4874","High Reliability","Checked on PubChem, Checked on ChemID"]
[1058,"CN(C)C(=O)SCCCCOc1ccccc1\n\n\n","O=C(N(C)C)SCCCCOc1ccccc1","O=C(N(C)C)SCCCCOc1ccccc1","",1,"FENOTHIOCARB(1)","62850-32-2(1)","5018","High Reliability"]
[1059,"OC(=O)CCCCCCNS(=O)(=O)c1ccccc1\n\n\n","OC(=O)CCCCCCNS(=O)(=O)c1ccccc1","O=C(O)CCCCCCNS(=O)(=O)c1ccccc1","",1,"Heptanoic acid, 7-benzenesulfonylamino(1)","123469-53-4(1)","5651","Medium Reliability","Checked on PubChem"]
[1060,"CCCCCCCc1ccccc1\n\n\n","CCCCCCCc1ccccc1","c1ccc(cc1)CCCCCCC","",1,"1-PHENYLHEPTANE(1)","1078-71-3(1)","2817","High Reliability"]
[1061,"CCN(CC)CCOC(=O)c1ccc(N)cc1\n\n\n","CCN(CCOC(=O)c1ccc(cc1)N)CC","O=C(OCCN(CC)CC)c1ccc(N)cc1","",1,"PROCAINE(1)","59-46-1(1)","168","High Reliability"]
[1062,"CC(=O)C=CC1C(C)=CCCC1(C)C\nCC(=O)C=CC1=C(C)CCCC1(C)C\n\n","CC(=O)C=CC1C(=CCCC1(C)C)C","O=C(C=CC1C(=CCCC1(C)(C))C)C","",2,"ALPHA-IONONE(1), beta-Ionone(1)","127-41-3(1), 14901-07-6(1)","1474, 4047","High Reliability","Stereochemistry removed"]
[1063,"CCOP(=S)(NC(C)CC)Oc1c(ccc(C)c1)[N+]([O-])=O\nCCOP(=S)(NC(C)CC)Oc1cc(C)ccc1[N+]([O-])=O\n\n","CCOP(=S)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C","O=[N+]([O-])c1ccc(cc1(OP(OCC)(NC(C)CC)=S))C","",1,"BUTAMIFOS(1)","36335-67-8(1)","4627","High Reliability"]
[1064,"CC(C)(C)NCC(O)c1ccc(O)c(CO)c1\n\n\n","OCc1cc(ccc1O)C(CNC(C)(C)C)O","Oc1ccc(cc1CO)C(O)CNC(C)(C)C","",1,"Albuterol(1)","18559-94-9(1)","4201","High Reliability"]
[1065,"CCCOP(=O)(OCCC)Oc1ccc(SC)cc1\n\n\n","CCCOP(=O)(Oc1ccc(cc1)SC)OCCC","O=P(Oc1ccc(cc1)SC)(OCCC)OCCC","",1,"PROPAPHOS(1)","7292-16-2(1)","3828","High Reliability"]
[1066,"CN(C)C(=O)NC1CC2CC1C3CCCC23\n\n\n","O=C(N(C)C)NC1CC2CC1C1C2CCC1","O=C(NC1CC2CC1C3CCCC23)N(C)C","",1,"NOREA(1)","18530-56-8(1)","4199","High Reliability","Stereochemistry removed"]
[1067,"CCOC(=O)CSc1nc(nn1C(=O)N(C)C)C(C)(C)C\n\n\n","CCOC(=O)CSc1nc(nn1C(=O)N(C)C)C(C)(C)C","O=C(OCC)CSc1nc(nn1(C(=O)N(C)C))C(C)(C)C","",1,"Triazamate(1)","112143-82-5(1)","5570","Medium Reliability"]
[1068,"CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1\n\n\n","CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C","O=P(Oc1ccc(c(c1)C)SC)(OCC)NC(C)C","",1,"FENAMIPHOS(1)","22224-92-6(1)","4314","High Reliability"]
[1069,"CC(C)(O)CCCC1=CCC(CC1)C=O\n\n\n","O=CC1CCC(=CC1)CCCC(O)(C)C","O=CC1CC=C(CCCC(O)(C)C)CC1","",1,"Lyral(1)","31906-04-4(1)","4528","Medium Reliability"]
[1070,"CCOP(=S)(OC(C)C)Oc1cnc(nc1)C(C)(C)C\n\n\n","CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C","n1cc(OP(OCC)(OC(C)C)=S)cnc1C(C)(C)C","",1,"TEBUPIRIMFOS(1)","96182-53-5(1)","5397","High Reliability"]
[1071,"CCOP(=S)(OCC)Oc1cc(C)nc(n1)N(CC)CC\n\n\n","CCOP(=S)(Oc1cc(C)nc(n1)N(CC)CC)OCC","n1c(OP(OCC)(OCC)=S)cc(nc1N(CC)CC)C","",1,"PIRIMIPHOS ETHYL(1)","23505-41-1(1)","4342","High Reliability"]
[1072,"CCCCc1c(OS(=O)(=O)N(C)C)nc(NCC)nc1C\nCCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C\n\n","CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC","O=S(=O)(Oc1nc(nc(c1CCCC)C)NCC)N(C)C","",1,"BUPIRIMATE(1)","41483-43-6(1)","4751","High Reliability"]
[1073,"CCCCCCCCCCC(C(O)=O)C(O)=O\n\n\n","CCCCCCCCCCC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)CCCCCCCCCC","",1,"DECYLPROPANEDIOIC ACID(1)","4372-29-6(1)","3484","High Reliability"]
[1074,"CCOC(=O)CCCCCCCC(=O)OCC\n\n\n","CCOC(=O)CCCCCCCC(=O)OCC","O=C(OCC)CCCCCCCC(=O)OCC","",1,"DIETHYL AZELATE(1)","624-17-9(1)","2502","High Reliability"]
[1075,"OC(=O)CCCCCCCCCCCC(O)=O\n\n\n","OC(=O)CCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCC(=O)O","",1,"Tridecanedioic acid(1)","505-52-2(1)","1932","High Reliability"]
[1076,"OC1=NCCCCCCCCCCCC1\nO=C1CCCCCCCCCCCCN1\n\n","OC1=NCCCCCCCCCCCC1","OC1=NCCCCCCCCCCCC1","",1,"Azacyclotetradecan-2-one(1)","7518-64-1(1)","3853","Medium Reliability"]
[1077,"CCCCCCCCCCCCC(O)=O\n\n\n","CCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCC","",1,"TRIDECANOIC ACID(1)","638-53-9(1)","2603","High Reliability"]
[1078,"CCCCCCCCCCN=C(O)C(C)O\nCCCCCCCCCCNC(=O)C(C)O\n\n","CCCCCCCCCCN=C(C(O)C)O","OC(=NCCCCCCCCCC)C(O)C","",1,"Lactamide, N-decyl-(1)","6280-24-6(1)","3727","High Reliability"]
[1079,"CCCCCCCCCCCCC\n\n\n","CCCCCCCCCCCCC","CCCCCCCCCCCCC","",1,"N-TRIDECANE(1)","629-50-5(1)","2566","High Reliability"]
[1080,"CC(C)CCOCC(O)COCCC(C)C\n\n\n","OC(COCCC(C)C)COCCC(C)C","OC(COCCC(C)C)COCCC(C)C","",1,"2-Propanol, 1,3-bis(3-methylbutoxy)-(1)","626-78-8(1)","2532","High Reliability"]
[1081,"CC(O)=O.CCCCCCCCCCCCNC(N)=N\nCCCCCCCCCCCCNC(N)=N\nCCCCCCCCCCCCN=C(N)N.CC(O)=O\nCC(O)=O.CCCCCCCCCCCCNC(N)=N, CCCCCCCCCCCCN=C(N)N.CC(O)=O","CCCCCCCCCCCCNC(=N)N","N=C(N)NCCCCCCCCCCCC","",2,"Dodine(1), DODINE(1)","112-65-2(1), 2439-10-3(1)","1262, 3209","High Reliability","Differences in counterions, Organic counterion"]
[1082,"Cc1nc(c(s1)C(O)=Nc2c(Br)cc(OC(F)(F)F)cc2Br)C(F)(F)F\nCc1sc(C(=O)Nc2c(Br)cc(OC(F)(F)F)cc2Br)c(n1)C(F)(F)F\n\n","Cc1sc(c(n1)C(F)(F)F)C(=Nc1c(Br)cc(cc1Br)OC(F)(F)F)O","FC(F)(F)Oc2cc(c(N=C(O)c1c(nc(C)s1)C(F)(F)F)c(c2)Br)Br","",1,"Thifluzamide(1)","130000-40-7(1)","5675","Medium Reliability"]
[1083,"Oc1c(Cc2c(Cl)c(Cl)cc(Cl)c2O)c(Cl)c(Cl)cc1Cl\n\n\n","Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl","Oc1c(cc(c(c1Cc2c(O)c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl","",1,"HEXACHLOROPHENE(1)","70-30-4(1)","273","High Reliability"]
[1084,"Oc1c(Br)cc(C=NOc2c(cc(cc2)[N+]([O-])=O)[N+]([O-])=O)cc1Br\n[O-][N+](=O)c1ccc(ONC=C2C=C(Br)C(=O)C(=C2)Br)c(c1)[N+]([O-])=O\n\n","Brc1cc(C=NOc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc(c1O)Br","O=[N+]([O-])c2ccc(ON=Cc1cc(c(O)c(c1)Br)Br)c(c2)[N+](=O)[O-]","",1,"BROMOFENOXIM(1)","13181-17-4(1)","3960","High Reliability"]
[1085,"[O-][N+](=O)c1ccc(Oc2c(cc(cc2)C(F)(F)F)[N+]([O-])=O)cc1\n[O-][N+](=O)c1ccc(Oc2ccc(cc2[N+]([O-])=O)C(F)(F)F)cc1\n\n","[O-][N+](=O)c1cc(ccc1Oc1ccc(cc1)[N+](=O)[O-])C(F)(F)F","O=[N+]([O-])c2ccc(Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)cc2","",1,"FLUORODIFEN(1)","15457-05-3(1)","4072","High Reliability"]
[1086,"Oc1c(cc(Cl)cc1)C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O\nOc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O\nNCCO.Oc1c(cc(Cl)cc1)C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O\nNCCO.Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O","Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O","O=C(Nc1ccc(cc1Cl)[N+](=O)[O-])c2cc(ccc2(O))Cl","",2,"NICLOSAMIDE(1), NICLOSAMIDE ETHANOLAMINE SALT(1)","50-65-7(1), 1420-04-8(1)","28, 2899","High Reliability","Organic counterion"]
[1087,"ON(C(=O)c1c(Cl)cc(Cl)cc1)c2ccccc2\nON(c1ccccc1)C(=O)c2ccc(Cl)cc2Cl\n\n","Clc1ccc(c(c1)Cl)C(=O)N(c1ccccc1)O","O=C(c1ccc(cc1Cl)Cl)N(O)c2ccccc2","",1,"Benzamide, 2,4-dichloro-N-hydroxy-N-phenyl-(1)","16845-41-3(1)","4123","Medium Reliability"]
[1088,"COc1c(ccc(Oc2c(Cl)cc(Cl)cc2)c1)[N+]([O-])=O\nCOc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O\n\n","COc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl","O=[N+]([O-])c2ccc(Oc1ccc(cc1Cl)Cl)cc2(OC)","",1,"CHLOMETHOXYNIL(1)","32861-85-1(1)","4551","Medium Reliability"]
[1089,"Oc1c(cc(cc1)N(=O)=O)C(=O)Nc2ccc(Cl)cc2\nOc1ccc(cc1C(=O)Nc2ccc(Cl)cc2)[N+]([O-])=O\n\n","Clc1ccc(cc1)NC(=O)c1cc(ccc1O)[N+](=O)[O-]","O=C(Nc1ccc(cc1)Cl)c2cc(ccc2(O))[N+](=O)[O-]","",1,"Salicylanilide, 4'-chloro-5-nitro-(1)","6490-98-8(1)","3759","High Reliability"]
[1090,"Oc1c(cccc1[N+]([O-])=O)C(=O)Nc2ccc(Cl)cc2\n\n\n","Clc1ccc(cc1)NC(=O)c1cccc(c1O)[N+](=O)[O-]","O=C(Nc1ccc(cc1)Cl)c2cccc(c2(O))[N+](=O)[O-]","",1,"Salicylanilide, 4'-chloro-3-nitro-(1)","6490-99-9(1)","3760","High Reliability"]
[1091,"OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F\n\n\n","OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F","O=C(O)c2cccnc2(Nc1cccc(c1)C(F)(F)F)","",1,"Niflumic acid(1)","4394-00-7(1)","3489","High Reliability"]
[1092,"c1ccc2c(ccc3c2cccn3)c1\nc1ccc2c(c1)ccc3ncccc23\n\n","c1ccc2c(c1)ccc1c2cccn1","n1cccc3c1ccc2ccccc23","",1,"BENZO(F)QUINOLINE(1)","85-02-9(1)","552","High Reliability"]
[1093,"c1ccc2c(c1)cnc3ccccc23\n\n\n","c1ccc2c(c1)cnc1c2cccc1","n2cc1ccccc1c3ccccc23","",1,"PHENANTHRIDINE(1)","229-87-8(1)","1665","High Reliability"]
[1094,"c1cc2cc3ccccc3nc2cc1\n\n\n","c1ccc2c(c1)nc1c(c2)cccc1","n1c3ccccc3(cc2ccccc12)","",1,"ACRIDINE(1)","260-94-6(1)","1671","High Reliability"]
[1095,"ON(C(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)c2ccccc2\n\n\n","O=C(N(c1ccccc1)O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N(O)c2ccccc2","",1,"Benzamide, 3,5-dinitro-N-phenyl-N-hydroxy-(1)","29556-22-7(1)","4487","Medium Reliability","Checked on PubChem"]
[1096,"[O-][N+](=O)c1cc2c(cc1)-c3c(C2)cccc3\n[O-][N+](=O)c1ccc-2c(Cc3ccccc23)c1\n\n","[O-][N+](=O)c1ccc2c(c1)Cc1c2cccc1","O=[N+]([O-])c2ccc3c1ccccc1Cc3(c2)","",1,"2-NITROFLUORENE(1)","607-57-8(1)","2387","High Reliability"]
[1097,"c1cc2cc3c(cccc3)cc2cc1\nc1ccc2cc3ccccc3cc2c1\n\n","c1ccc2c(c1)cc1c(c2)cccc1","c1ccc2cc3ccccc3(cc2(c1))","",1,"ANTHRACENE(1)","120-12-7(1)","1351","Medium Reliability"]
[1098,"c1cc2c(cc1)c3c(cccc3)cc2\nc1ccc2c(c1)ccc3ccccc23\n\n","c1ccc2c(c1)c1ccccc1cc2","c1ccc3c(c1)ccc2ccccc23","",1,"PHENANTHRENE(1)","85-01-8(1)","551","High Reliability"]
[1099,"ClC(Cl)C(c1ccc(Cl)cc1)c2c(Cl)cccc2\nClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl\n\n","ClC(C(c1ccccc1Cl)c1ccc(cc1)Cl)Cl","c1ccc(c(c1)C(c2ccc(cc2)Cl)C(Cl)Cl)Cl","",1,"O,P'-DDD(1)","53-19-0(1)","70","High Reliability"]
[1100,"ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2\n\n\n","ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl","c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)Cl)Cl","",1,"P,P'-DDD(1)","72-54-8(1)","296","High Reliability"]
[1101,"OC(=O)c1c(Nc2cc(ccc2)C(F)(F)F)cccc1\n\n\n","OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F","O=C(O)c2ccccc2(Nc1cccc(c1)C(F)(F)F)","",1,"FLUFENAMIC ACID(1)","530-78-9(1)","2016","High Reliability"]
[1102,"Oc1c2ccccc2cc3ccccc13\n\n\n","Oc1c2ccccc2cc2c1cccc2","Oc2c3ccccc3(cc1ccccc12)","",1,"Anthranol(1)","529-86-2(1)","2013","High Reliability"]
[1103,"O=C(OC(=O)c1ccccc1)c2ccccc2\n\n\n","O=C(c1ccccc1)OC(=O)c1ccccc1","O=C(OC(=O)c1ccccc1)c2ccccc2","",1,"BENZOIC ACID, ANHYDRIDE(1)","93-97-0(1)","715","High Reliability"]
[1104,"OC(=O)C1(O)c2c(cccc2)-c3c1cccc3\nOC(=O)C1(O)c2ccccc2-c3ccccc13\n\n","OC(=O)C1(O)c2ccccc2c2c1cccc2","O=C(O)C2(O)(c3ccccc3(c1ccccc12))","",1,"FLURENOL(1)","467-69-6(1)","1820","High Reliability","Stereochemistry removed"]
[1105,"OC(=O)c1c(cccc1)C(=O)c2ccc(O)cc2\nOC(=O)c1ccccc1C(=O)c2ccc(O)cc2\n\n","Oc1ccc(cc1)C(=O)c1ccccc1C(=O)O","O=C(O)c2ccccc2(C(=O)c1ccc(O)cc1)","",1,"Benzoic acid, 2-(4-hydroxybenzoyl)-(1)","85-57-4(1)","559","High Reliability"]
[1106,"OC(=O)c1ccccc1C(=O)c2ccccc2O\n\n\n","OC(=O)c1ccccc1C(=O)c1ccccc1O","O=C(O)c2ccccc2(C(=O)c1ccccc1(O))","",1,"Benzoic acid, 2-(2-hydroxybenzoyl)-(1)","6079-73-8(1)","3699","Medium Reliability"]
[1107,"O=C(OOC(=O)c1ccccc1)c2ccccc2\n\n\n","O=C(c1ccccc1)OOC(=O)c1ccccc1","O=C(OOC(=O)c1ccccc1)c2ccccc2","",1,"BENZOYL PEROXIDE(1)","94-36-0(1)","726","High Reliability"]
[1108,"OC(=O)c1ccccc1-c2ccccc2C(O)=O\n\n\n","OC(=O)c1ccccc1c1ccccc1C(=O)O","O=C(O)c1ccccc1c2ccccc2(C(=O)O)","",1,"1,1'-BIPHENYL -2,2'-DICARBOXYLIC ACID(1)","482-05-3(1)","1855","High Reliability"]
[1109,"COc1cc(O)c2c(=O)c3c(oc2c1)ccc(O)c3\nCOc1cc(O)c2c(=O)c3cc(O)ccc3oc2c1\n\n","COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O","O=C1c3cc(O)ccc3(Oc2cc(OC)cc(O)c12)","",1,"Gentisin(1)","437-50-3(1)","1784","High Reliability"]
[1110,"OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1\n\n\n","O=C(c1cc(O)c(c(c1)O)O)Oc1cc(cc(c1O)O)C(=O)O","O=C(O)c2cc(O)c(O)c(OC(=O)c1cc(O)c(O)c(O)c1)c2","",1,"Digallic acid(1)","536-08-3(1)","2039","Medium Reliability","Checked on PubChem"]
[1111,"OC(=O)Cc1c(Nc2c(Cl)cccc2Cl)cccc1\n\n\n","OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl","O=C(O)Cc2ccccc2(Nc1c(cccc1Cl)Cl)","",1,"DICLOFENAC(1)","15307-86-5(1)","4065","High Reliability"]
[1112,"CCOP(=O)(Oc1c(Cl)cc(Cl)cc1)Oc2c(Cl)cc(Cl)cc2\nCCOP(=O)(Oc1ccc(Cl)cc1Cl)Oc2ccc(Cl)cc2Cl\n\n","CCOP(=O)(Oc1ccc(cc1Cl)Cl)Oc1ccc(cc1Cl)Cl","O=P(Oc1ccc(cc1Cl)Cl)(Oc2ccc(cc2Cl)Cl)OCC","",1,"Phosdiphen(1)","36519-00-3(1)","4630","High Reliability"]
[1113,"NS(=O)(=O)c1c(Cl)ccc(c1)C2(O)NC(=O)c3ccccc23\nNS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23\n\n","O=C1NC(c2c1cccc2)(O)c1ccc(c(c1)S(=O)(=O)N)Cl","O=C2NC(O)(c1ccc(c(c1)S(=O)(=O)N)Cl)c3ccccc23","",1,"Chlorthalidone(1)","77-36-1(1)","416","High Reliability"]
[1114,"N#CC(c1ccccc1)c2ccccc2\n\n\n","N#CC(c1ccccc1)c1ccccc1","N#CC(c1ccccc1)c2ccccc2","",1,"DIPHENYLACETONITRILE(1)","86-29-3(1)","567","High Reliability"]
[1115,"Nc1ccc2cc3ccccc3cc2c1\n\n\n","Nc1ccc2c(c1)cc1c(c2)cccc1","Nc1ccc2cc3ccccc3(cc2(c1))","",1,"2-AMINOANTHRACENE(1)","613-13-8(1)","2423","High Reliability"]
[1116,"O=C(NC(=O)c1ccccc1)c2ccccc2\n\n\n","O=C(c1ccccc1)NC(=O)c1ccccc1","O=C(NC(=O)c1ccccc1)c2ccccc2","",1,"N-Benzoylbenzamide(1)","614-28-8(1)","2427","High Reliability"]
[1117,"OC(=O)c1ccccc1C(=O)Nc2ccccc2\n\n\n","O=C(c1ccccc1C(=O)O)Nc1ccccc1","O=C(O)c2ccccc2(C(=O)Nc1ccccc1)","",1,"N-Phenylphthalamic acid(1)","4727-29-1(1)","3528","High Reliability"]
[1118,"Cc1cccc-2c1Cc3c2cccc3\nCc1cccc-2c1Cc3ccccc23\n\n","Cc1cccc2c1Cc1c2cccc1","c1ccc3c(c1)c2cccc(c2C3)C","",1,"1-METHYLFLUORENE(1)","1730-37-6(1)","2972","High Reliability"]
[1119,"C=C(c1ccccc1)c2ccccc2\n\n\n","C=C(c1ccccc1)c1ccccc1","C=C(c1ccccc1)c2ccccc2","",1,"1,1-DIPHENYLETHYLENE(1)","530-48-3(1)","2015","High Reliability"]
[1120,"C(=Cc1ccccc1)c2ccccc2\n\n\n","c1ccc(cc1)C=Cc1ccccc1","c1ccc(cc1)C=Cc2ccccc2","",2,"STILBENE (TRANS)(1), STILBENE(1)","103-30-0(1), 588-59-0(1)","929, 2268","Medium Reliability, High Reliability","Stereochemistry removed"]
[1121,"C1Cc2ccccc2-c3ccccc13\n\n\n","c1ccc2c(c1)c1ccccc1CC2","c1ccc3c(c1)c2ccccc2CC3","",1,"9,10-DIHYDROPHENANTHRENE(1)","776-35-2(1)","2686","High Reliability"]
[1122,"Cc1cc(ccc1NS(=O)(=O)C(F)(F)F)S(=O)(=O)c2ccccc2\n\n\n","Cc1cc(ccc1NS(=O)(=O)C(F)(F)F)S(=O)(=O)c1ccccc1","O=S(=O)(Nc1ccc(cc1C)S(=O)(=O)c2ccccc2)C(F)(F)F","",1,"PERFLUIDONE(1)","37924-13-3(1)","4657","High Reliability"]
[1123,"Cc1c2ccc3c(C)ccnc3c2ncc1\nCc1ccnc2c1ccc3c(C)ccnc23\n\n","Cc1ccnc2c1ccc1c2nccc1C","n2ccc(c3ccc1c(nccc1C)c23)C","",1,"1,10-Phenanthroline, 4,7-dimethyl-(1)","3248-05-3(1)","3357","High Reliability"]
[1124,"Nc1ccc(cc1)C#Cc2ccc(N)cc2\n\n\n","Nc1ccc(cc1)C#Cc1ccc(cc1)N","C(#Cc1ccc(N)cc1)c2ccc(N)cc2","",1,"Benzenamine, 4,4'-(1,2-ethynediyl)bis-(1)","6052-15-9(1)","3697","High Reliability"]
[1125,"O=C(NNC(=O)c1ccccc1)c2ccccc2\n\n\n","O=C(c1ccccc1)NNC(=O)c1ccccc1","O=C(NNC(=O)c1ccccc1)c2ccccc2","",1,"Benzoic acid, 2-benzoylhydrazide(1)","787-84-8(1)","2690","High Reliability"]
[1126,"Nc1ccc(N)c2c1C(=O)c3c(N)ccc(N)c3C2=O\n\n\n","O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N","O=C1c3c(N)ccc(N)c3(C(=O)c2c(N)ccc(N)c12)","",1,"1,4,5,8-TETRAAMINOANTHRAQUINONE(1)","2475-45-8(1)","3217","High Reliability"]
[1127,"Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2","O=S(=O)(Nc1nc2ccccc2(nc1))c3ccc(N)cc3","",1,"SULFAQUINOXALINE(1)","59-40-5(1)","166","High Reliability"]
[1128,"CC(=O)c1ccc(cc1)-c2ccccc2\n\n\n","CC(=O)c1ccc(cc1)c1ccccc1","O=C(c1ccc(cc1)c2ccccc2)C","",1,"4-ACETYLBIPHENYL(1)","92-91-1(1)","693","High Reliability"]
[1129,"CC1(C)OC(=O)c2cc3ccccc3cc12\n\n\n","O=C1OC(c2c1cc1ccccc1c2)(C)C","O=C1OC(c2cc3ccccc3(cc12))(C)C","",1,"Naphtho[2,3-c]furan-1(3H)-one, 3,3-dimethyl-(1)","24018-57-3(1)","4355","Medium Reliability"]
[1130,"OC(C(=O)c1ccccc1)c2ccccc2\n\n\n","OC(C(=O)c1ccccc1)c1ccccc1","O=C(c1ccccc1)C(O)c2ccccc2","",2,"BENZOIN(1), DL-BENZOIN(1)","119-53-9(1), 579-44-2(1)","1340, 2221","High Reliability"]
[1131,"Oc1ccc(cc1)C(=O)Cc2ccccc2\n\n\n","Oc1ccc(cc1)C(=O)Cc1ccccc1","O=C(c1ccc(O)cc1)Cc2ccccc2","",1,"Ethanone, 1-(4-hydroxyphenyl)-2-phenyl-(1)","2491-32-9(1)","3221","High Reliability"]
[1132,"OC(=O)C(c1ccccc1)c2ccccc2\n\n\n","OC(=O)C(c1ccccc1)c1ccccc1","O=C(O)C(c1ccccc1)c2ccccc2","",1,"DIPHENYLACETIC ACID(1)","117-34-0(1)","1307","High Reliability"]
[1133,"OC(=O)C(O)(c1ccccc1)c2ccccc2\n\n\n","OC(=O)C(c1ccccc1)(c1ccccc1)O","O=C(O)C(O)(c1ccccc1)c2ccccc2","",1,"BENZILIC ACID(1)","76-93-7(1)","407","High Reliability"]
[1134,"OC(=O)CCC(=O)c1cc2ccccc2cc1\nOC(=O)CCC(=O)c1ccc2ccccc2c1\n\n","OC(=O)CCC(=O)c1ccc2c(c1)cccc2","O=C(O)CCC(=O)c1ccc2ccccc2(c1)","",1,"2-Naphthalenebutanoic acid, .gamma.-oxo-(1)","1590-22-3(1)","2938","Medium Reliability"]
[1135,"OC(=O)CCC(=O)c1cccc2ccccc12\n\n\n","OC(=O)CCC(=O)c1cccc2c1cccc2","O=C(O)CCC(=O)c2cccc1ccccc12","",1,"1-Naphthalenebutanoic acid, .gamma.-oxo-(1)","4653-13-8(1)","3520","Medium Reliability"]
[1136,"COc1c2oc(C)cc(=O)c2c(OC)c3c1occ3\n\n\n","COc1c2c(=O)cc(oc2c(c2c1cco2)OC)C","O=C2C=C(Oc3c(OC)c1occc1c(OC)c23)C","",1,"Khellin(1)","82-02-0(1)","512","High Reliability"]
[1137,"COc1nc2nc(nn2c(OC)c1)S(=O)(=O)Nc3c(Cl)c(C)ccc3Cl\n\n\n","COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C","O=S(=O)(Nc1c(ccc(c1Cl)C)Cl)c2nc3nc(OC)cc(OC)n3(n2)","",1,"Metosulam(1)","139528-85-1(1)","5709","High Reliability"]
[1138,"COc1cc(OC)nc(N=C(O)NS(=O)(=O)c2c(Cl)nc3ccccn23)n1\nCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2n3ccccc3nc2Cl)n1\n\n","COc1cc(OC)nc(n1)N=C(NS(=O)(=O)c1c(Cl)nc2n1cccc2)O","O=S(=O)(NC(O)=Nc1nc(OC)cc(n1)OC)c3c(nc2ccccn23)Cl","",1,"IMAZOSULFURON(1)","122548-33-8(1)","5645","High Reliability"]
[1139,"CC(C)N(C(=O)COc1nnc(s1)C(F)(F)F)c2ccc(F)cc2\n\n\n","Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C","O=C(N(c1ccc(F)cc1)C(C)C)COc2nnc(C(F)(F)F)s2","",1,"Fluthiamide(1)","142459-58-3(1)","5712","High Reliability"]
[1140,"[Cl-].C[n+]1c2cc(N)ccc2cc3ccc(N)cc13.Nc1ccc2cc3ccc(N)cc3nc2c1\n\n\n","Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N","Nc2ccc3cc1ccc(N)cc1[n+](c3(c2))C","",1,"Acriflavine(1)","8048-52-0(1)","3889","High Reliability","Organic counterion, Checked on PubChem, Checked on ChemID"]
[1141,"CC#Cc1cc(C)nc(Nc2ccccc2)n1\n\n\n","CC#Cc1nc(Nc2ccccc2)nc(c1)C","C(#CC)c1nc(nc(c1)C)Nc2ccccc2","",1,"MEPANIPYRIM(1)","110235-47-7(1)","5558","High Reliability"]
[1142,"Nc1ccc(CC(=O)c2ccccc2)cc1\n\n\n","Nc1ccc(cc1)CC(=O)c1ccccc1","O=C(c1ccccc1)Cc2ccc(N)cc2","",1,"Ethanone, 2-(4-aminophenyl)-1-phenyl-(1)","2440-20-2(1)","3212","Medium Reliability"]
[1143,"Cc1ccc(cc1)-c2ccc(C)cc2\n\n\n","Cc1ccc(cc1)c1ccc(cc1)C","c1cc(ccc1c2ccc(cc2)C)C","",1,"P-TOLYLTOLUENE(1)","613-33-2(1)","2424","Medium Reliability"]
[1144,"C(Cc1ccccc1)c2ccccc2\n\n\n","c1ccc(cc1)CCc1ccccc1","c1ccc(cc1)CCc2ccccc2","",1,"BIBENZYL(1)","103-29-7(1)","928","High Reliability"]
[1145,"Clc1cc(Cl)c(cc1)C(Cn2ccnc2)OCC=C\nClc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1\n\n","C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1","n1ccn(c1)CC(OCC=C)c2ccc(cc2Cl)Cl","",1,"IMAZALIL BASE(1)","35554-44-0(1)","4615","Medium Reliability"]
[1146,"Clc1cc(ccc1)N(C2CCOC2=O)C(=O)C3CC3\nClc1cccc(c1)N(C2CCOC2=O)C(=O)C3CC3\n\n","O=C1OCCC1N(C(=O)C1CC1)c1cccc(c1)Cl","O=C1OCCC1N(c2cccc(c2)Cl)C(=O)C3CC3","",1,"Cyprofuram(1)","69581-33-5(1)","5122","High Reliability"]
[1147,"CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2\n\n\n","CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N","O=C(Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2)C","",1,"Acetamide, N-[4-[(4-aminophenyl)sulfonyl]phenyl](1)","565-20-8(1)","2187","Medium Reliability"]
[1148,"OC(=O)CN=C(O)CNS(=O)(=O)c1cc2ccccc2cc1\nOC(=O)CNC(=O)CNS(=O)(=O)c1ccc2ccccc2c1\n\n","OC(=O)CN=C(CNS(=O)(=O)c1ccc2c(c1)cccc2)O","O=C(O)CN=C(O)CNS(=O)(=O)c1ccc2ccccc2(c1)","",1,"Glycine, N-[N-(2-naphthalenylsulfonyl)glycyl]-(1)","93886-70-5(1)","5386","Medium Reliability"]
[1149,"CCOP(=S)(Oc1ccc(cc1)[N+]([O-])=O)c2ccccc2\n\n\n","CCOP(=S)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c2ccc(OP(OCC)(c1ccccc1)=S)cc2","",1,"EPN(1)","2104-64-5(1)","3096","High Reliability"]
[1150,"C(OCc1ccccc1)c2ccccc2\n\n\n","O(Cc1ccccc1)Cc1ccccc1","O(Cc1ccccc1)Cc2ccccc2","",1,"DIBENZYL ETHER(1)","103-50-4(1)","932","High Reliability"]
[1151,"OC(C(O)c1ccccc1)c2ccccc2\n\n\n","OC(C(c1ccccc1)O)c1ccccc1","OC(c1ccccc1)C(O)c2ccccc2","",2,"Hydrobenzoin(1), MESO-HYDROBENZOIN(1)","492-70-6(1), 579-43-1(1)","1884, 2220","High Reliability","Checked on PubChem, Checked on ChemID"]
[1152,"CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O\n\n\n","O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2","O=C2c1ccccc1C(=O)C2C(=O)C(C)(C)C","",1,"PINDONE(1)","83-26-1(1)","520","High Reliability"]
[1153,"COc1cc2ccc(cc2cc1)C(C)C(O)=O\n[Na+].COc1ccc2cc(ccc2c1)C(C)C([O-])=O\nCOc1ccc2cc(ccc2c1)C(C)C(O)=O\n","COc1ccc2c(c1)ccc(c2)C(C(=O)O)C","O=C(O)C(c1ccc2cc(OC)ccc2(c1))C","",1,"NAPROSYN(1)","22204-53-1(1)","4312","High Reliability","Differences in counterions, Stereochemistry removed"]
[1154,"C=CCOC(=O)c1c(cccc1)C(=O)OCC=C\nC=CCOC(=O)c1ccccc1C(=O)OCC=C\n\n","C=CCOC(=O)c1ccccc1C(=O)OCC=C","O=C(OCC=C)c1ccccc1(C(=O)OCC=C)","",1,"DIALLYLPHTHALATE(1)","131-17-9(1)","1498","Medium Reliability"]
[1155,"Cc1ccc(cc1)N=Nc2c(N)ccc(C)c2\nCc1ccc(cc1)N=Nc2cc(C)ccc2N\n\n","Cc1ccc(cc1)N=Nc1cc(C)ccc1N","N(=Nc1cc(ccc1(N))C)c2ccc(cc2)C","",1,"Benzenamine, 4-methyl-2-[(4-methylphenyl)azo]-(1)","58010-91-6(1)","4953","Medium Reliability","Stereochemistry removed"]
[1156,"Cc1c(N)ccc(c1)N=Nc2c(C)cccc2\nCC1C=CC=CC1(N)N=Nc2ccccc2C\nCc1ccccc1N=Nc2ccc(N)c(C)c2\n","Cc1cc(ccc1N)N=Nc1ccccc1C","N(=Nc1ccccc1C)c2ccc(N)c(c2)C","",1,"o-aminoazotoluene(1)","97-56-3(1)","796","High Reliability","Name verified in PubChem"]
[1157,"CN(C)c1ccc(cc1)N=Nc2ccccc2\n\n\n","CN(c1ccc(cc1)N=Nc1ccccc1)C","N(=Nc1ccc(cc1)N(C)C)c2ccccc2","",1,"4-(N,N-DIMETHYLAMINO)AZOBENZENE(1)","60-11-7(1)","181","High Reliability"]
[1158,"CC(=O)NCC(O)=O.CC(=O)NCC(O)=O.NC(=N)c1ccc(NN=Nc2ccc(cc2)C(N)=N)cc1\nCC(=O)NCC(O)=O.NC(=N)c1ccc(NN=Nc2ccc(cc2)C(N)=N)cc1\n\n","NC(=N)c1ccc(cc1)NN=Nc1ccc(cc1)C(=N)N","N=C(N)c2ccc(N=NNc1ccc(cc1)C(=N)N)cc2","",1,"Diminazene Aceturate(1)","908-54-3(1)","2736","High Reliability","Differences in counterions, Organic counterion, Stereochemistry removed"]
[1159,"OC(=O)C1CCCN1C(=O)COC(=O)c2ccccc2\n\n\n","O=C(N1CCCC1C(=O)O)COC(=O)c1ccccc1","O=C(OCC(=O)N1CCCC1(C(=O)O))c2ccccc2","",1,"L-PROLINE, N-[(BENZOYLOXY)ACETYL]-(1)","115178-75-1(1)","5590","Medium Reliability","Stereochemistry removed"]
[1160,"CCOP(=O)(Sc1ccccc1)Sc2ccccc2\n\n\n","CCOP(=O)(Sc1ccccc1)Sc1ccccc1","O=P(OCC)(Sc1ccccc1)Sc2ccccc2","",1,"EDIFENPHOS(1)","17109-49-8(1)","4143","High Reliability"]
[1161,"Cc1cccc(C)c1N(Cn2cccn2)C(=O)CCl\n\n\n","ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1","O=C(N(c1c(cccc1C)C)Cn2nccc2)CCl","",1,"Metazachlor(1)","67129-08-2(1)","5075","High Reliability"]
[1162,"CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2\n\n\n","O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl","O=C(C(Oc1ccc(cc1)Cl)n2ncnc2)C(C)(C)C","",1,"TRIADIMEFON(1)","43121-43-3(1)","4770","High Reliability"]
[1163,"COc1nc(C)nc(NC(=O)NS(=O)(=O)c2c(OCCCl)cccc2)n1\n\n\n","ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC","O=C(Nc1nc(nc(n1)C)OC)NS(=O)(=O)c2ccccc2(OCCCl)","",1,"Triasulfuron(1)","82097-50-5(1)","5273","High Reliability"]
[1164,"Cc1cccc(C)c1N(C2CCOC2=O)C(=O)CCl\n\n\n","ClCC(=O)N(c1c(C)cccc1C)C1CCOC1=O","O=C1OCCC1N(C(=O)CCl)c2c(cccc2C)C","",1,"Ofurace(1)","58810-48-3(1)","4962","High Reliability"]
[1165,"CCOP(=S)(OCC)Oc1cc2c(cc1)c(C)c(Cl)c(=O)o2\nCCOP(=S)(OCC)Oc1ccc2c(c(Cl)c(=O)oc2c1)C\n\n","CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC","O=C2Oc1cc(OP(OCC)(OCC)=S)ccc1C(=C2Cl)C","",1,"COUMAPHOS(1)","56-72-4(1)","105","High Reliability"]
[1166,"CCCN(CC1CC1)c2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O\n\n\n","CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC1CC1","O=[N+]([O-])c1cc(cc(c1N(CCC)CC2CC2)[N+](=O)[O-])C(F)(F)F","",1,"PROFLURALIN(1)","26399-36-0(1)","4418","High Reliability"]
[1167,"Cc1cc(ccc1N)-c2ccc(N)c(C)c2\nNc1ccc(OCCOc2ccc(N)cc2)cc1\n\n","Nc1ccc(cc1C)c1ccc(c(c1)C)N","Nc1ccc(cc1C)c2ccc(N)c(c2)C","",1,"bianisidine(1)","119-93-7(1)","1349","High Reliability","Name verified in PubChem"]
[1168,"COc1cc(ccc1N)-c2cc(OC)c(N)cc2\n\n\n","COc1cc(ccc1N)c1ccc(c(c1)OC)N","O(c1cc(ccc1(N))c2ccc(N)c(OC)c2)C","",1,"3,3'-DIMETHOXYBENZIDINE(1)","119-90-4(1)","1347","High Reliability"]
[1169,"Nc1ccc(cc1)S(=O)(=O)c2ccc(NCCO)cc2\nCC(O)Nc1ccccc1S(=O)(=O)c2ccc(N)cc2\n\n","OCCNc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N","O=S(=O)(c1ccc(N)cc1)c2ccc(cc2)NCCO","",1,"2-p-sulfanilylanilinoethanol(1)","80-02-4(1)","484","High Reliability","Name verified in PubChem"]
[1170,"CN(C)c1ccc(cc1)N=Nc2ccc(N)cc2\n\n\n","Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C","N(=Nc1ccc(cc1)N(C)C)c2ccc(N)cc2","",1,"C.I. DISPERSE BLACK 3(1)","539-17-3(1)","2058","High Reliability","Organic counterion"]
[1171,"CC(C)COc1cc2ccccc2cc1\nCC(C)COc1ccc2ccccc2c1\n\n","CC(COc1ccc2c(c1)cccc2)C","O(c1ccc2ccccc2(c1))CC(C)C","",1,"Naphthalene, 2-(2-methylpropoxy)-(1)","2173-57-1(1)","3118","High Reliability"]
[1172,"CCCC(=O)OCOC(=O)c1ccccc1OC(C)=O\n\n\n","CCCC(=O)OCOC(=O)c1ccccc1OC(=O)C","O=C(OCOC(=O)CCC)c1ccccc1(OC(=O)C)","",1,"BENZOIC ACID, 2-(ACETYLOXY)-, (1-OXOBUTOXY)METHY(1)","118247-07-7(1)","5623","Medium Reliability","Checked on PubChem"]
[1173,"CCCCC(O)(Cn1cncn1)c2ccc(Cl)cc2Cl\n\n\n","CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O","OC(c1ccc(cc1Cl)Cl)(Cn2ncnc2)CCCC","",1,"Hexaconazole(1)","79983-71-4(1)","5258","High Reliability"]
[1174,"NS(=O)(=O)c1cc2c(CN(C3CCCCC3)C2=O)cc1Cl\n\n\n","O=C1N(Cc2c1cc(c(c2)Cl)S(=O)(=O)N)C1CCCCC1","O=C2c1cc(c(cc1CN2C3CCCCC3)Cl)S(=O)(=O)N","",1,"Clorexolone(1)","2127-01-7(1)","3100","Medium Reliability"]
[1175,"CCOP(=S)(OCC)SC(CCl)N1C(=O)c2c(cccc2)C1=O\nCCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O\n\n","ClCC(N1C(=O)c2c(C1=O)cccc2)SP(=S)(OCC)OCC","O=C1c2ccccc2(C(=O)N1C(CCl)SP(OCC)(OCC)=S)","",1,"DIALIFOR(1)","10311-84-9(1)","3910","High Reliability"]
[1176,"CCOP(=S)(OCC)Oc1nn(c(=O)cc1)-c2ccccc2\n\n\n","CCOP(=S)(Oc1ccc(=O)n(n1)c1ccccc1)OCC","O=C1C=CC(=NN1c2ccccc2)OP(OCC)(OCC)=S","",1,"PYRIDAPHENTHION(1)","119-12-0(1)","1331","High Reliability"]
[1177,"CCn1cc(C(O)=O)c(=O)c2c1nc(nc2)N3CCNCC3\n\n\n","CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1","O=C(O)C1=CN(c2nc(ncc2(C1(=O)))N3CCNCC3)CC","",1,"PIPEMIDIC ACID(1)","51940-44-4(1)","4823","High Reliability"]
[1178,"CCS(=O)(=O)c1cccnc1S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2\n\n\n","COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC","O=C(Nc1nc(OC)cc(n1)OC)NS(=O)(=O)c2ncccc2S(=O)(=O)CC","",1,"RIMSULFURON(1)","122931-48-0(1)","5647","High Reliability"]
[1179,"CC(C)OC(=O)c1cc(cc(c1)C(=O)OC(C)C)[N+]([O-])=O\n\n\n","CC(OC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OC(C)C)C","O=C(OC(C)C)c1cc(cc(c1)[N+](=O)[O-])C(=O)OC(C)C","",1,"Nitrothal-isopropyl(1)","10552-74-6(1)","3927","High Reliability"]
[1180,"CCCCOCCOC(=O)COc1c(Cl)cc(Cl)cc1\nCCCCOCCOC(=O)COc1ccc(Cl)cc1Cl\n\n","CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl","O=C(OCCOCCCC)COc1ccc(cc1Cl)Cl","",1,"2,4-D, BUTOXYETHYL ESTER(1)","1929-73-3(1)","3037","Medium Reliability"]
[1181,"CCCSP(=O)(OCC)Oc1cn(nc1)-c2ccc(Cl)cc2\n\n\n","CCCSP(=O)(Oc1cnn(c1)c1ccc(cc1)Cl)OCC","O=P(Oc1cnn(c1)c2ccc(cc2)Cl)(OCC)SCCC","",1,"Pyraclofos(1)","77458-01-6(1)","5239","High Reliability"]
[1182,"CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2\n\n\n","OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl","OC(C(Oc1ccc(cc1)Cl)n2ncnc2)C(C)(C)C","",1,"TRIADIMENOL(1)","55219-65-3(1)","4902","High Reliability"]
[1183,"CN(C)CCN(Cc1ccc(Cl)s1)c2ccccn2\nCN(C)CCN(Cc1sc(Cl)cc1)c2ccccn2.OC(=O)CC(O)(CC(O)=O)C(O)=O\n\n","CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C","n1ccccc1N(Cc2ccc(Cl)s2)CCN(C)C","",1,"CHLOROTHEN(1)","148-65-2(1)","1616","High Reliability","Differences in counterions"]
[1184,"CCC1(C(O)=NC(=O)N=C1O)C2=CC3CCC(C3)C2\nCCC1(C(=O)NC(=O)NC1=O)C2=CC3CCC(C3)C2\n\n","CCC1(C2=CC3CC(C2)CC3)C(=NC(=O)N=C1O)O","O=C1N=C(O)C(C(O)=N1)(C2=CC3CCC(C2)C3)CC","",1,"REPOSAL(1)","3625-25-0(1)","3404","High Reliability","Stereochemistry removed"]
[1185,"COCC(=O)N(N1CCOC1=O)c2c(C)cccc2C\n\n\n","COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O","O=C1OCCN1N(C(=O)COC)c2c(cccc2C)C","",1,"Oxadixyl(1)","77732-09-3(1)","5245","High Reliability"]
[1186,"CC(=O)c1c(C)c(c(c(c1C)[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C","O=C(c1c(c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C","",1,"Musk ketone(1)","81-14-1(1)","505","High Reliability"]
[1187,"COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC\n\n\n","COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC","n1cc(c(nc1N)N)Cc2cc(OC)c(OC)c(OC)c2","",1,"TRIMETHOPRIM(1)","738-70-5(1)","2664","High Reliability"]
[1188,"CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2\n\n\n","CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2","O=C(OC)Nc2nc1ccccc1n2(C(=O)NCCCC)","",1,"BENOMYL(1)","17804-35-2(1)","4172","Medium Reliability"]
[1189,"CCOC(=O)c1c(n(C)nc1)S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2\n\n\n","CCOC(=O)c1cnn(c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C","O=C(OCC)c1cnn(c1S(=O)(=O)NC(=O)Nc2nc(OC)cc(n2)OC)C","",1,"Pyrazosulfuron-ethyl(1)","93697-74-6(1)","5385","High Reliability"]
[1190,"CCCOC(=O)c1c(cccc1)C(=O)OCCC\nCCCOC(=O)c1ccccc1C(=O)OCCC\n\n","CCCOC(=O)c1ccccc1C(=O)OCCC","O=C(OCCC)c1ccccc1(C(=O)OCCC)","",1,"DIPROPYL PHTHALATE(1)","131-16-8(1)","1497","High Reliability"]
[1191,"CC(C)OC(=O)c1ccccc1C(=O)OC(C)C\n\n\n","CC(OC(=O)c1ccccc1C(=O)OC(C)C)C","O=C(OC(C)C)c1ccccc1(C(=O)OC(C)C)","",1,"DI-I-PROPYL PHTHALATE(1)","605-45-8(1)","2380","Medium Reliability"]
[1192,"COCCOC(=O)c1c(cccc1)C(=O)OCCOC\nCOC(C)OC(=O)c1ccccc1C(=O)OC(C)OC\nCOCCOC(=O)c1ccccc1C(=O)OCCOC\n","COCCOC(=O)c1ccccc1C(=O)OCCOC","O=C(OCCOC)c1ccccc1(C(=O)OCCOC)","",1,"bis(methoxyethyl)phthalate(1)","117-82-8(1)","1312","High Reliability","Name verified in PubChem"]
[1193,"CC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1\n\n\n","OCC1OC(Oc2ccc(cc2)C(=O)C)C(C(C1O)O)O","O=C(c2ccc(OC1OC(CO)C(O)C(O)C1(O))cc2)C","",1,"Picein(1)","530-14-3(1)","2014","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1194,"CN(C)CCN(Cc1cscc1)c2ncccc2\n\n\n","CN(CCN(c1ccccn1)Cc1cscc1)C","n1ccccc1N(Cc2ccsc2)CCN(C)C","",1,"THENYLDIAMINE(1)","91-79-2(1)","677","High Reliability"]
[1195,"CN(C)CCN(Cc1cccs1)c2ccccn2\n\n\n","CN(CCN(c1ccccn1)Cc1cccs1)C","n1ccccc1N(Cc2cccs2)CCN(C)C","",1,"METHAPYRILENE(1)","91-80-5(1)","678","High Reliability"]
[1196,"CCN(CC)C(=O)CCC(=O)OCn1ncc2c1ncnc2O\n\n\n","CCN(C(=O)CCC(=O)OCn1ncc2c1ncnc2O)CC","O=C(OCn2ncc1c(O)ncnc12)CCC(=O)N(CC)CC","",1,"ALLOPURINOL,1-[N,N-DIETHYLSUCCINAMYL-OXYMETHYL]-(1)","98827-27-1(1)","5428","Medium Reliability","Checked on PubChem"]
[1197,"COc1ccc(CC2NCC(O)C2OC(C)=O)cc1\n\n\n","COc1ccc(cc1)CC1NCC(C1OC(=O)C)O","O=C(OC2C(O)CNC2(Cc1ccc(OC)cc1))C","",1,"Anisomycin(1)","22862-76-6(1)","4328","High Reliability","Stereochemistry removed"]
[1198,"COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1\n\n\n","COP(=O)(OC(=CC(=O)OC(c1ccccc1)C)C)OC","O=C(OC(c1ccccc1)C)C=C(OP(=O)(OC)OC)C","",1,"CROTOXYPHOS(1)","7700-17-6(1)","3872","High Reliability","Stereochemistry removed"]
[1199,"CCc1cccc(CC)c1N(COC)C(=O)CCl\n\n\n","COCN(c1c(CC)cccc1CC)C(=O)CCl","O=C(N(c1c(cccc1CC)CC)COC)CCl","",1,"ALACHLOR(1)","15972-60-8(1)","4085","High Reliability"]
[1200,"CCOCN(C(=O)CCl)c1c(CC)cccc1C\nCCOCN(C(=O)CCl)c1c(C)cccc1CC\n\n","CCOCN(c1c(C)cccc1CC)C(=O)CCl","O=C(N(c1c(cccc1CC)C)COCC)CCl","",1,"ACETOCHLOR(1)","34256-82-1(1)","4584","High Reliability"]
[1201,"CC1CCCCC1NC(=O)Nc2ccccc2\n\n\n","O=C(Nc1ccccc1)NC1CCCCC1C","O=C(Nc1ccccc1)NC2CCCCC2(C)","",1,"SIDURON(1)","1982-49-6(1)","3057","High Reliability"]
[1202,"Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2\n\n\n","O=C(NS(=O)(=O)c1ccc(cc1)C)NC1CCCCC1","O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)C","",1,"TOLCYCLAMIDE(1)","664-95-9(1)","2621","Medium Reliability"]
[1203,"CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C\n\n\n","CCOC(=O)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC","O=C(OCC)c1cn2nc(OP(OCC)(OCC)=S)cc2(nc1C)","",1,"PYRAZOPHOS(1)","13457-18-6(1)","3979","High Reliability"]
[1204,"CC(=O)OCC(O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C=O\n\n\n","O=CC(C(C(C(COC(=O)C)O)OC(=O)C)OC(=O)C)OC(=O)C","O=CC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(O)COC(=O)C","",1,"D-Glucose, 2,3,4,6-tetraacetate(1)","40437-08-9(1)","4730","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[1205,"CCCCCCCOC(=O)c1ccc(O)cc1\n\n\n","CCCCCCCOC(=O)c1ccc(cc1)O","O=C(OCCCCCCC)c1ccc(O)cc1","",1,"HEPTYL P-HYDROXYBENZOATE(1)","1085-12-7(1)","2821","High Reliability"]
[1206,"O=P(Oc1ccccc1)(N2CCOCC2)N3CCOCC3\n\n\n","O=P(N1CCOCC1)(N1CCOCC1)Oc1ccccc1","O=P(Oc1ccccc1)(N2CCOCC2)N3CCOCC3","",1,"Phosphinic acid, di-4-morpholinyl-, phenyl ester(1)","4881-17-8(1)","3549","Medium Reliability"]
[1207,"Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2\n\n\n","O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1","O=C(NN1CCCCCC1)NS(=O)(=O)c2ccc(cc2)C","",1,"TOLAZAMIDE(1)","1156-19-0(1)","2854","High Reliability"]
[1208,"CCC(C)Nc1c(cc(cc1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O\n\n\n","CCC(Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C","O=[N+]([O-])c1cc(cc(c1(NC(C)CC))[N+](=O)[O-])C(C)(C)C","",1,"BUTRALIN(1)","33629-47-9(1)","4568","High Reliability"]
[1209,"CCCCCCCOC(=O)c1ccc(N)cc1\n\n\n","CCCCCCCOC(=O)c1ccc(cc1)N","O=C(OCCCCCCC)c1ccc(N)cc1","",1,"BENZOIC ACID, 4-AMINO-, HEPTYL ESTER(1)","14309-40-1(1)","4027","High Reliability"]
[1210,"CCCCCCCCOC(=O)c1cnccc1\n\n\n","CCCCCCCCOC(=O)c1cccnc1","O=C(OCCCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxylic acid, octyl ester(1)","70136-02-6(1)","5135","High Reliability"]
[1211,"CON(C1CCCCC1)C(=O)c2c(C)oc(C)c2\n\n\n","CON(C(=O)c1cc(oc1C)C)C1CCCCC1","O=C(c1cc(oc1C)C)N(OC)C2CCCCC2","",1,"Furmecyclox(1)","60568-05-0(1)","4995","High Reliability"]
[1212,"CCCN(CCC)C(=O)SCc1ccccc1\n\n\n","CCCN(C(=O)SCc1ccccc1)CCC","O=C(N(CCC)CCC)SCc1ccccc1","",1,"PROSULFOCARB(1)","52888-80-9(1)","4864","High Reliability"]
[1213,"CCCCCCCCc1ccccc1\n\n\n","CCCCCCCCc1ccccc1","c1ccc(cc1)CCCCCCCC","",1,"OCTYLBENZENE(1)","2189-60-8(1)","3121","High Reliability"]
[1214,"CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC\n[H+].[Cl-].CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC\n\n","CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC","O=C(NCCN(CC)CC)c1cc(c(N)cc1(OC))Cl","",1,"METOCLOPRAMIDE(1)","364-62-5(1)","1755","High Reliability","Differences in counterions"]
[1215,"CCCCCCCCN=C(O)c1cnccc1\nCCCCCCCCNC(=O)c1cccnc1\n\n","CCCCCCCCN=C(c1cccnc1)O","OC(=NCCCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxamide, N-octyl-(1)","81475-34-5(1)","5266","Medium Reliability"]
[1216,"CCN(CC)CC(=O)Nc1c(C)cccc1C\n\n\n","CCN(CC(=O)Nc1c(C)cccc1C)CC","O=C(Nc1c(cccc1C)C)CN(CC)CC","",1,"LIDOCAINE(1)","137-58-6(1)","1535","High Reliability"]
[1217,"CC(C)NCC(O)COc1ccc(CC(N)=O)cc1\n\n\n","OC(COc1ccc(cc1)CC(=O)N)CNC(C)C","O=C(N)Cc1ccc(OCC(O)CNC(C)C)cc1","",1,"ATENOLOL(1)","29122-68-7(1)","4475","High Reliability"]
[1218,"CC(C)(C)c1cc(c(O)cc1)C(C)(C)C\nCC(C)(C)c1ccc(O)c(c1)C(C)(C)C\n\n","Oc1ccc(cc1C(C)(C)C)C(C)(C)C","Oc1ccc(cc1C(C)(C)C)C(C)(C)C","",1,"2,4-DI-T-BUTYLPHENOL(1)","96-76-4(1)","782","High Reliability"]
[1219,"CC(C)(C)c1cccc(c1O)C(C)(C)C\n\n\n","CC(c1cccc(c1O)C(C)(C)C)(C)C","Oc1c(cccc1C(C)(C)C)C(C)(C)C","",1,"2,6-DI-T-BUTYLPHENOL(1)","128-39-2(1)","1487","High Reliability"]
[1220,"CCC(C)c1cccc(C(C)CC)c1O\n\n\n","CCC(c1cccc(c1O)C(CC)C)C","Oc1c(cccc1C(C)CC)C(C)CC","",1,"2,6-DI-SEC-BUTYLPHENOL(1)","5510-99-6(1)","3629","High Reliability","Stereochemistry removed"]
[1221,"CCCC(O)(CCC)C(O)c1ccccc1\n\n\n","CCCC(C(c1ccccc1)O)(CCC)O","OC(c1ccccc1)C(O)(CCC)CCC","",1,"1,2-Pentanediol, 1-phenyl-2-propyl-(1)","20805-10-1(1)","4276","Medium Reliability"]
[1222,"CC(=C)C(=O)OCCOCCOCCOC(=O)C(C)=C\nCC(=C)C(O)=O.CC(=C)C(O)=O.OCCOCCOCCO\n\n","O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C","O=C(OCCOCCOCCOC(=O)C(=C)C)C(=C)C","",1,"triethyleneglycoldimethacrylate(1)","109-16-0(1)","1124","High Reliability","Name verified in PubChem"]
[1223,"CCCCOP(=O)(OCCCC)Oc1ccccc1\n\n\n","CCCCOP(=O)(Oc1ccccc1)OCCCC","O=P(Oc1ccccc1)(OCCCC)OCCCC","",1,"DIBUTYL PHENYL PHOSPHATE(1)","2528-36-1(1)","3229","High Reliability"]
[1224,"CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1\n\n\n","CC(OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1)C","O=S(=O)(NCCSP(OC(C)C)(OC(C)C)=S)c1ccccc1","",1,"BENSULIDE(1)","741-58-2(1)","2665","High Reliability"]
[1225,"CCOC(=O)CCCCCCCCC(=O)OCC\n\n\n","CCOC(=O)CCCCCCCCC(=O)OCC","O=C(OCC)CCCCCCCCC(=O)OCC","",1,"DIETHYL SEBACATE(1)","110-40-7(1)","1169","High Reliability"]
[1226,"OC(=O)CCCCCCCCCCCCC(O)=O\n\n\n","OC(=O)CCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCC(=O)O","",1,"1,12-Dodecanedicarboxylic acid(1)","821-38-5(1)","2700","High Reliability"]
[1227,"CCOCCOC(=O)CCCCC(=O)OCCOCC\n\n\n","CCOCCOC(=O)CCCCC(=O)OCCOCC","O=C(OCCOCC)CCCCC(=O)OCCOCC","",1,"Hexanedioic acid, bis(2-ethoxyethyl) ester(1)","109-44-4(1)","1127","High Reliability"]
[1228,"CCCCCC(=O)NCCNC(=O)CCCCC\n\n\n","CCCCCC(=O)NCCNC(=O)CCCCC","O=C(NCCNC(=O)CCCCC)CCCCC","",1,"Hexanamide, N,N'-1,2-ethanediylbis-(1)","50905-12-9(1)","4792","Medium Reliability","Checked on PubChem"]
[1229,"CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C\n\n\n","CCCOP(=S)(SCC(=O)N1CCCCC1C)OCCC","O=C(N1CCCCC1C)CSP(OCCC)(OCCC)=S","",1,"PIPEROPHOS(1)","24151-93-7(1)","4358","High Reliability"]
[1230,"CCCCCCCCCCCCCC(O)=O\n\n\n","CCCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCC","",1,"TETRADECANOIC ACID(1)","544-63-8(1)","2110","Medium Reliability"]
[1231,"CCCCCCCCCCCCCC\n\n\n","CCCCCCCCCCCCCC","CCCCCCCCCCCCCC","",1,"TETRADECANE(1)","629-59-4(1)","2567","High Reliability"]
[1232,"CCCCCCCCCCCCCCO\n\n\n","CCCCCCCCCCCCCCO","OCCCCCCCCCCCCCC","",1,"1-TETRADECANOL(1)","112-72-1(1)","1263","High Reliability"]
[1233,"CCCCOP(=O)(OCCCC)OCCCCOCC\n\n\n","CCCCOP(=O)(OCCCC)OCCCCOCC","O=P(OCCCC)(OCCCC)OCCCCOCC","",1,"Phosphoric acid, dibutyl 4-ethoxybutyl ester(1)","100888-67-3(1)","5454","Medium Reliability"]
[1234,"CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O\n\n\n","CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O","OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C","",1,"Entprol(1)","102-60-3(1)","918","High Reliability"]
[1235,"OC(=O)c1c(C(O)=Nc2cccc(Cl)c2Cl)c(Cl)c(Cl)c(Cl)c1Cl\nOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc2cccc(Cl)c2Cl\n\n","Clc1cccc(c1Cl)N=C(c1c(Cl)c(Cl)c(c(c1C(=O)O)Cl)Cl)O","O=C(O)c2c(C(O)=Nc1cccc(c1Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl","",1,"Tecloftalam(1)","76280-91-6(1)","5222","High Reliability"]
[1236,"Fc1cccc(F)c1C(=O)NC(=O)Nc2c(F)c(Cl)c(F)c(Cl)c2\n\n\n","O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F","O=C(NC(=O)c1c(F)cccc1(F))Nc2cc(c(F)c(c2(F))Cl)Cl","",1,"TEFLUBENZURON(1)","83121-18-0(1)","5286","High Reliability"]
[1237,"OC(=O)c1c(ccc(Oc2ccc(cc2Cl)C(F)(F)F)c1)[N+]([O-])=O\nOC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O\n\n","Clc1cc(ccc1Oc1ccc(c(c1)C(=O)O)[N+](=O)[O-])C(F)(F)F","O=C(O)c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-]","",1,"ACIFLUORFEN(1)","50594-66-6(1)","4786","High Reliability"]
[1238,"Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1\n\n\n","Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br","O(c1c(cc(cc1Br)Br)Br)CCOc2c(cc(cc2Br)Br)Br","",1,"1,2-Bis(2,4,6-tribromophenoxy)ethane(1)","37853-59-1(1)","4654","High Reliability"]
[1239,"Clc1ccccc1-c2nnc(nn2)-c3c(Cl)cccc3\nClc1ccccc1-c2nnc(nn2)-c3ccccc3Cl\n\n","Clc1ccccc1c1nnc(nn1)c1ccccc1Cl","n1nc(nnc1c2ccccc2Cl)c3ccccc3Cl","",1,"CLOFENTEZINE(1)","74115-24-5(1)","5192","Medium Reliability"]
[1240,"ClC(Cl)=C(c1ccc(Cl)cc1)c2c(Cl)cccc2\nClc1ccc(cc1)C(=C(Cl)Cl)c2ccccc2Cl\n\n","Clc1ccc(cc1)C(=C(Cl)Cl)c1ccccc1Cl","c1ccc(c(c1)C(c2ccc(cc2)Cl)=C(Cl)Cl)Cl","",1,"O,P'-DDE(1)","3424-82-6(1)","3382","High Reliability"]
[1241,"ClC(Cl)=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2\n\n\n","ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl","c1cc(ccc1C(c2ccc(cc2)Cl)=C(Cl)Cl)Cl","",1,"P,P'-DDE(1)","72-55-9(1)","297","High Reliability"]
[1242,"Oc1c(cc(cc1)N(=O)=O)C(=O)C(=O)c2c(O)ccc(c2)N(=O)=O\nOc1ccc(cc1C(=O)C(=O)c2cc(ccc2O)[N+]([O-])=O)[N+]([O-])=O\n\n","O=C(c1cc(ccc1O)[N+](=O)[O-])C(=O)c1cc(ccc1O)[N+](=O)[O-]","O=C(C(=O)c1cc(ccc1(O))[N+](=O)[O-])c2cc(ccc2(O))[N+](=O)[O-]","",1,"Ethanedione, bis(2-hydroxy-5-nitrophenyl)-(1)","528-10-9(1)","2003","Medium Reliability"]
[1243,"S(Sc1nc2c(s1)cccc2)c3nc4c(s3)cccc4\nS(Sc1sc2ccccc2n1)c3sc4ccccc4n3\n\n","c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2","n2c1ccccc1sc2SSc4nc3ccccc3s4","",1,"2,2'-DITHIOBISBENZOTHIAZOLE(1)","120-78-5(1)","1362","High Reliability"]
[1244,"O=C1C(=O)c2c(cccc2)-c3c1cccc3\nO=C1C(=O)c2ccccc2-c3ccccc13\n\n","O=C1C(=O)c2ccccc2c2c1cccc2","O=C2C(=O)c1ccccc1c3ccccc23","",1,"9,10-PHENANTHRENEDIONE(1)","84-11-7(1)","534","High Reliability"]
[1245,"O=C1c2c(cccc2)C(=O)c3c1cccc3\nO=C1c2ccccc2C(=O)c3ccccc13\n\n","O=C1c2ccccc2C(=O)c2c1cccc2","O=C1c3ccccc3(C(=O)c2ccccc12)","",1,"ANTHRAQUINONE(1)","84-65-1(1)","543","High Reliability"]
[1246,"Oc1c2C(=O)c3c(cccc3)C(=O)c2ccc1\nOc1cccc2C(=O)c3ccccc3C(=O)c12\n\n","Oc1cccc2c1C(=O)c1ccccc1C2=O","O=C1c3ccccc3(C(=O)c2c(O)cccc12)","",1,"1-HYDROXYANTHRAQUINONE(1)","129-43-1(1)","1491","High Reliability"]
[1247,"Oc1cc2c(cc1)C(=O)c3ccccc3C2=O\nOc1ccc2C(=O)c3ccccc3C(=O)c2c1\n\n","Oc1ccc2c(c1)C(=O)c1c(C2=O)cccc1","O=C1c3ccccc3(C(=O)c2cc(O)ccc12)","",1,"2-HYDROXYANTHRAQUINONE(1)","605-32-3(1)","2379","High Reliability"]
[1248,"Oc1ccc2C(=O)c3c(cccc3)C(=O)c2c1O\nOc1ccc2C(=O)c3ccccc3C(=O)c2c1O\n\n","O=C1c2ccccc2C(=O)c2c1ccc(c2O)O","O=C1c3ccccc3(C(=O)c2c(O)c(O)ccc12)","",1,"ALIZARINE(1)","72-48-0(1)","295","High Reliability"]
[1249,"Oc1cc2c(cc1)C(=O)c3c(ccc(O)c3)C2=O\nOc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1\n\n","Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O","O=C1c3ccc(O)cc3(C(=O)c2ccc(O)cc12)","",1,"2,6-DIHYDROXY-ANTHRAQUINONE(1)","84-60-6(1)","540","Medium Reliability"]
[1250,"Oc1cc(O)c(O)c2c1C(=O)c3c(cccc3)C2=O\nOc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O\n\n","Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O","O=C1c3ccccc3(C(=O)c2c(O)c(O)cc(O)c12)","",1,"PURPURIN(1)","81-54-9(1)","508","High Reliability"]
[1251,"OS(=O)(=O)c1cccc2c1C(=O)c3c(cccc3C2=O)S(O)(=O)=O\n\n\n","O=C1c2cccc(c2C(=O)c2c1cccc2S(=O)(=O)O)S(=O)(=O)O","O=C2c3cccc(c3(C(=O)c1c2(cccc1S(=O)(=O)O)))S(=O)(=O)O","",1,"1,8-ANTHRAQUINONEDISULFONIC ACID(1)","82-48-4(1)","514","High Reliability"]
[1252,"OS(=O)(=O)c1cccc2c1C(=O)c3cccc(c3C2=O)S(O)(=O)=O\nOS(=O)(=O)C1=C(C(=O)c2cc3=CC=CC(=O)c3cc2=C1)S(O)(=O)=O\nOS(=O)(=O)c1cccc2C(=O)c3c(cccc3S(O)(=O)=O)C(=O)c12\n","O=C1c2cccc(c2C(=O)c2c1c(ccc2)S(=O)(=O)O)S(=O)(=O)O","O=C1c3cccc(c3(C(=O)c2cccc(c12)S(=O)(=O)O))S(=O)(=O)O","",1,"1,5-anthraquinonedisulfonicacid(1)","117-14-6(1)","1305","High Reliability","Name verified in PubChem"]
[1253,"OC(=O)c1ccccc1C(=O)c2ccc(Br)cc2\n\n\n","Brc1ccc(cc1)C(=O)c1ccccc1C(=O)O","O=C(O)c2ccccc2(C(=O)c1ccc(cc1)Br)","",1,"Benzoic acid, 2-(4-bromobenzoyl)-(1)","2159-40-2(1)","3109","High Reliability"]
[1254,"COC(=O)c1c(ccc(Oc2ccc(Cl)cc2Cl)c1)[N+]([O-])=O\nCOC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O\n\n","COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl","O=C(OC)c2cc(Oc1ccc(cc1Cl)Cl)ccc2[N+](=O)[O-]","",1,"BIFENOX(1)","42576-02-3(1)","4761","High Reliability"]
[1255,"Clc1ccc(cc1)C(c2ccccc2Cl)C(Cl)(Cl)Cl\n\n\n","Clc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccccc1Cl","c1ccc(c(c1)C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl","",1,"O,P'-DDT(1)","789-02-6(1)","2691","High Reliability"]
[1256,"Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl\n\n\n","ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl","c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl","",1,"P,P'-DDT(1)","50-29-3(1)","15","Medium Reliability"]
[1257,"OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl\n\n\n","OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl","OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C(Cl)(Cl)Cl","",1,"DICOFOL(1)","115-32-2(1)","1281","High Reliability"]
[1258,"Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2\n\n\n","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl","O=C(NC(=O)c1c(F)cccc1(F))Nc2ccc(cc2)Cl","",1,"DIFLUBENZURON(1)","35367-38-5(1)","4611","High Reliability"]
[1259,"OC(=O)c1c(cccc1)C(=O)c2ccc(Cl)cc2\nOC(=O)c1ccccc1C(=O)c2ccc(Cl)cc2\n\n","Clc1ccc(cc1)C(=O)c1ccccc1C(=O)O","O=C(O)c2ccccc2(C(=O)c1ccc(cc1)Cl)","",1,"Benzoic acid, 2-(4-chlorobenzoyl)-(1)","85-56-3(1)","558","High Reliability"]
[1260,"Nc1ccc2C(=O)c3c(cccc3)C(=O)c2c1\nNc1ccc2C(=O)c3ccccc3C(=O)c2c1\n\n","Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1","O=C1c3ccccc3(C(=O)c2cc(N)ccc12)","",1,"2-AMINOANTHRAQUINONE(1)","117-79-3(1)","1309","High Reliability"]
[1261,"[O-][N+](=O)c1c2ccccc2cc3ccccc13\n\n\n","[O-][N+](=O)c1c2ccccc2cc2c1cccc2","O=[N+]([O-])c2c3ccccc3(cc1ccccc12)","",1,"ANTHRACENE, 9-NITRO-(1)","602-60-8(1)","2369","High Reliability"]
[1262,"Nc1ccc(O)c2c1C(=O)c3ccccc3C2=O\n\n\n","Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N","O=C1c3ccccc3(C(=O)c2c(N)ccc(O)c12)","",1,"1-AMINO-4-HYDROXYANTHRAQUINONE(1)","116-85-8(1)","1304","High Reliability"]
[1263,"C1c2cccc3c2c4c1cccc4cc3\nC1c2cccc3ccc4cccc1c4c23\n\n","c1cc2Cc3c4c2c(c1)ccc4ccc3","c3cc2ccc1cccc4c1c2c(c3)C4","",1,"4,5-METHYLENEPHENANTHRENE(1)","203-64-5(1)","1649","High Reliability"]
[1264,"OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O\n\n\n","Clc1ccc2c(c1)C(=NC(C(=O)N2)O)c1ccccc1Cl","O=C1Nc3ccc(cc3(C(=NC1(O))c2ccccc2Cl))Cl","",1,"LORAZEPAM(1)","846-49-1(1)","2715","High Reliability"]
[1265,"FC(F)(F)Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1\n\n\n","O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F","O=C(NC(=O)c1ccccc1Cl)Nc2ccc(OC(F)(F)F)cc2","",1,"Triflumuron(1)","64628-44-0(1)","5039","High Reliability"]
[1266,"CS(=O)(=O)NC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O\n[Na+].CS(=O)(=O)[N-]C(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O\n\n","Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)[N+](=O)[O-])C(F)(F)F","O=C(NS(=O)(=O)C)c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-]","",1,"FOMESAFEN(1)","72178-02-0(1)","5172","High Reliability","Differences in counterions"]
[1267,"[O-][N+](=O)c1cc2c(NC(=O)CN=C2c3ccccc3Cl)cc1\n[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1\n\n","O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1Cl","O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2Cl))[N+](=O)[O-]","",1,"CLONAZEPAM(1)","1622-61-3(1)","2945","High Reliability"]
[1268,"OC(=O)c1c2ccccc2cc3ccccc13\n\n\n","OC(=O)c1c2ccccc2cc2c1cccc2","O=C(O)c2c3ccccc3(cc1ccccc12)","",1,"ANTHRACENE-9-CARBOXYLIC ACID(1)","723-62-6(1)","2659","High Reliability"]
[1269,"OC(=O)c1ccccc1C2OC(=O)c3ccccc23\n\n\n","OC(=O)c1ccccc1C1OC(=O)c2c1cccc2","O=C(O)c1ccccc1C3OC(=O)c2ccccc23","",1,"Benzoic acid, o-phthalidyl-(1)","109407-76-3(1)","5554","Medium Reliability"]
[1270,"Oc1cc(O)c(cc1)-c2c(O)c(=O)c3c(o2)cc(O)cc3O\nOc1ccc(c(O)c1)-c2c(O)c(=O)c3c(O)cc(O)cc3o2\n\n","Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O","O=C1C(O)=C(Oc2cc(O)cc(O)c12)c3ccc(O)cc3(O)","",1,"MORIN(1)","480-16-0(1)","1847","High Reliability"]
[1271,"Oc1cc2c(c(O)c1)c(=O)c(O)c(o2)-c3cc(O)c(O)cc3\nOc1cc(O)c2c(=O)c(c(oc2c1)-c3ccc(O)c(O)c3)O\n\n","Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O","O=C1C(O)=C(Oc2cc(O)cc(O)c12)c3ccc(O)c(O)c3","",1,"QUERCETIN(1)","117-39-5(1)","1308","High Reliability"]
[1272,"CCOc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O\n\n\n","CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F","O=[N+]([O-])c2ccc(Oc1ccc(cc1Cl)C(F)(F)F)cc2(OCC)","",1,"OXYFLUORFEN(1)","42874-03-3(1)","4768","High Reliability"]
[1273,"CC(Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1)C(O)=O\n[Na+].CC(Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1)C([O-])=O\n\n","OC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C","O=C(O)C(Oc2ccc(Oc1ncc(cc1Cl)C(F)(F)F)cc2)C","",1,"HALOXYFOP(1)","69806-34-4(1)","5129","High Reliability","Differences in counterions"]
[1274,"COC(=O)C1(O)c2c(cccc2)-c3c1cc(Cl)cc3\nCOC(=O)C1(O)c2ccccc2-c3ccc(Cl)cc13\n\n","COC(=O)C1(O)c2cc(Cl)ccc2c2c1cccc2","O=C(OC)C2(O)(c3ccccc3(c1ccc(cc12)Cl))","",1,"CHLORFLURECOL METHYL(1)","2536-31-4(1)","3231","Medium Reliability"]
[1275,"Cc1ccc2C(=O)c3c(cccc3)C(=O)c2c1N\nCc1ccc2C(=O)c3ccccc3C(=O)c2c1N\n\n","O=C1c2ccccc2C(=O)c2c1ccc(c2N)C","O=C1c3ccccc3(C(=O)c2c(N)c(ccc12)C)","",1,"1-AMINO-2-METHYL-9,10-ANTHRACENEDIONE(1)","82-28-0(1)","513","High Reliability"]
[1276,"Cc1c2ccccc2cc3ccccc13\n\n\n","Cc1c2ccccc2cc2c1cccc2","c1ccc3c(c1)cc2ccccc2c3C","",1,"9-METHYLANTHRACENE(1)","779-02-2(1)","2687","High Reliability"]
[1277,"Cc1cccc2cc3ccccc3cc12\n\n\n","Cc1cccc2c1cc1ccccc1c2","c2ccc3cc1c(cccc1C)cc3(c2)","",1,"1-METHYLANTHRACENE(1)","610-48-0(1)","2410","High Reliability"]
[1278,"Cc1c2ccc3ccccc3c2ccc1\nCc1cccc2c1ccc3ccccc23\n\n","Cc1cccc2c1ccc1c2cccc1","c1ccc3c(c1)ccc2c3(cccc2C)","",1,"1-METHYLPHENANTHRENE(1)","832-69-9(1)","2710","High Reliability"]
[1279,"Cc1cc2cc3ccccc3cc2cc1\nCc1ccc2cc3ccccc3cc2c1\n\n","Cc1ccc2c(c1)cc1c(c2)cccc1","c1ccc2cc3cc(ccc3(cc2(c1)))C","",1,"2-METHYLANTHRACENE(1)","613-12-7(1)","2422","High Reliability"]
[1280,"Cc1ccc2c(ccc3ccccc23)c1\n\n\n","Cc1ccc2c(c1)ccc1c2cccc1","c1ccc3c(c1)ccc2cc(ccc23)C","",1,"2-METHYLPHENANTHRENE(1)","2531-84-2(1)","3230","High Reliability"]
[1281,"CC(C)OC(=O)c1cc(-c2nn(C)c(c2Br)C(F)(F)F)c(F)cc1Cl\n\n\n","CC(OC(=O)c1cc(c(cc1Cl)F)c1nn(c(c1Br)C(F)(F)F)C)C","O=C(OC(C)C)c1cc(c(F)cc1Cl)c2nn(c(c2Br)C(F)(F)F)C","",1,"ISOPROPAZOL(1)","174514-07-9(1)","5751","High Reliability"]
[1282,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2c(F)c(F)cc(F)c2F\n\n\n","O=C(C1C(C1(C)C)C=C(Cl)Cl)OCc1c(F)c(F)cc(c1F)F","O=C(OCc1c(F)c(F)cc(F)c1(F))C2C(C=C(Cl)Cl)C2(C)(C)","",1,"Transfluthrin(1)","118712-89-3(1)","5625","High Reliability","Stereochemistry removed"]
[1283,"Clc1cc(Cl)c(OCCOC(=O)c2ccccc2)cc1\nClc1ccc(OCCOC(=O)c2ccccc2)c(Cl)c1\n\n","Clc1ccc(c(c1)Cl)OCCOC(=O)c1ccccc1","O=C(OCCOc1ccc(cc1Cl)Cl)c2ccccc2","",1,"2,4-DEB(1)","94-83-7(1)","735","Medium Reliability"]
[1284,"CS(=O)(=O)c1c(ccc(c1)C(F)(F)F)C(=O)c2c(onc2)C3CC3\nCS(=O)(=O)c1cc(ccc1C(=O)c2cnoc2C3CC3)C(F)(F)F\n\n","O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1","O=C(c1cnoc1C2CC2)c3ccc(cc3S(=O)(=O)C)C(F)(F)F","",1,"Isoxaflutole(1)","141112-29-0(1)","5710","High Reliability"]
[1285,"COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2\nCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2\n\n","COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC(F)F)cc(n1)OC(F)F","O=C(OC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(n2)OC(F)F","",1,"PRIMISULFURON-METHYL(1)","86209-51-0(1)","5310","High Reliability"]
[1286,"NC(Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(O)=O\nNC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O\n\n","OC(=O)C(Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O)N","O=C(O)C(N)Cc2cc(c(Oc1ccc(O)c(c1)I)c(c2)I)I","",1,"O-(4-HYDROXY-3-IODOPHENYL)-3,5-DIIODO-L-TYROSINE(1)","6893-02-3(1)","3789","High Reliability","Stereochemistry removed"]
[1287,"NC(=O)N1c2ccccc2C=Cc3c1cccc3\nNC(=O)N1c2ccccc2C=Cc3ccccc13\n\n","NC(=O)N1c2ccccc2C=Cc2c1cccc2","O=C(N)N2c3ccccc3(C=Cc1ccccc12)","",1,"CARBAMAZEPINE(1)","298-46-4(1)","1693","High Reliability"]
[1288,"O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3\n\n\n","O=C1NC(=O)NC1(c1ccccc1)c1ccccc1","O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3","",1,"PHENYTOIN(1)","57-41-0(1)","124","High Reliability"]
[1289,"COC(=O)c1c(cccc1)C(=O)c2ccccc2\nCOC(=O)c1ccccc1C(=O)c2ccccc2\n\n","COC(=O)c1ccccc1C(=O)c1ccccc1","O=C(OC)c2ccccc2(C(=O)c1ccccc1)","",1,"BENZOIC ACID, 2-BENZOYL-, METHYL ESTER(1)","606-28-0(1)","2383","High Reliability"]
[1290,"Cc1cc2cc3cccc(O)c3c(O)c2c(O)c1\nCc1cc(O)c2C(=O)c3c(O)cccc3Cc2c1\nCc1cc(O)c2c(O)c3c(O)cccc3cc2c1\n","Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O","Oc2cccc3cc1cc(cc(O)c1c(O)c23)C","",1,"CHRYSAROBIN(1)","491-59-8(1)","1878","High Reliability"]
[1291,"CC(=O)Oc1ccccc1C(=O)Oc2ccccc2\n\n\n","CC(=O)Oc1ccccc1C(=O)Oc1ccccc1","O=C(Oc1ccccc1)c2ccccc2(OC(=O)C)","",1,"BENZOIC ACID, 2-(ACETYLOXY)-, PHENYL ESTER(1)","134-55-4(1)","1521","High Reliability","Checked on PubChem, Checked on ChemID"]
[1292,"Oc1cc(O)c2C(=O)CC(Oc2c1)c3cc(O)c(O)cc3\nOc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3\n\n","Oc1cc2OC(CC(=O)c2c(c1)O)c1ccc(c(c1)O)O","O=C2c3c(O)cc(O)cc3(OC(c1ccc(O)c(O)c1)C2)","",1,"ERIODICTYOL(1)","552-58-9(1)","2131","High Reliability","Stereochemistry removed"]
[1293,"Clc1cc(Cl)c(cc1OCC#C)-n2nc3CCCCn3c2=O\n\n\n","C#CCOc1cc(c(cc1Cl)Cl)n1nc2n(c1=O)CCCC2","O=C1N(N=C2N1CCCC2)c3cc(OCC#C)c(cc3Cl)Cl","",1,"AZAFENIDIN(1)","68049-83-2(1)","5095","High Reliability"]
[1294,"CC(C(O)=O)c1ccc(c(F)c1)-c2ccccc2\n\n\n","OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C","O=C(O)C(c1ccc(c(F)c1)c2ccccc2)C","",1,"FLURBIPROFEN(1)","5104-49-4(1)","3563","High Reliability"]
[1295,"CN1C(C(=O)Nc2ncccc2)=C(O)c3c(cccc3)S1(=O)=O\nCN1C(=C(O)Nc2ccccn2)C(=O)c3ccccc3S1(=O)=O\n\n","O=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)Nc1ccccn1","O=C(Nc1ncccc1)C3=C(O)c2ccccc2S(=O)(=O)N3C","",1,"PIROXICAM(1)","36322-90-4(1)","4625","High Reliability","Stereochemistry removed"]
[1296,"CN1c2ccccc2Sc3c1cc(CC(O)=O)cc3\n\n\n","OC(=O)Cc1ccc2c(c1)N(C)c1c(S2)cccc1","O=C(O)Cc1ccc3c(c1)N(c2ccccc2S3)C","",1,"Metiazinic acid(1)","13993-65-2(1)","4004","High Reliability"]
[1297,"Cc1cc(NC(=O)c2ccccc2C(O)=O)ccc1\nCc1cccc(NC(=O)c2ccccc2C(O)=O)c1\n\n","Cc1cccc(c1)NC(=O)c1ccccc1C(=O)O","O=C(O)c2ccccc2(C(=O)Nc1cccc(c1)C)","",1,"3'-Methylphthalanilic Acid(1)","85-72-3(1)","561","High Reliability"]
[1298,"CCOC(=O)C(Cl)Cc1c(Cl)cc(F)c(c1)-n2nc(C)n(C(F)F)c2=O\n\n\n","CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl","O=C(OCC)C(Cc1cc(c(F)cc1Cl)N2N=C(N(C2(=O))C(F)F)C)Cl","",1,"Carfentrazone-ethyl(1)","128639-02-1(1)","5668","High Reliability"]
[1299,"CC(C)(C)c1nn(c(=O)o1)-c2cc(OCC#C)c(Cl)cc2Cl\n\n\n","C#CCOc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C","O=C1OC(=NN1c2cc(OCC#C)c(cc2Cl)Cl)C(C)(C)C","",1,"Oxadiargyl(1)","39807-15-3(1)","4721","High Reliability"]
[1300,"NS(=O)(=O)c1c(cc2NC(Cc3ccccc3)NS(=O)(=O)c2c1)C(F)(F)F\nNS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F\n\n","O=S1(=O)NC(Cc2ccccc2)Nc2c1cc(c(c2)C(F)(F)F)S(=O)(=O)N","O=S(=O)(N)c1cc2c(cc1C(F)(F)F)NC(NS2(=O)(=O))Cc3ccccc3","",1,"BENDROFLUMETHIAZIDE(1)","73-48-3(1)","303","High Reliability"]
[1301,"Nc1ccc(cc1)S(=O)(=O)Nc2ccnn2-c3ccccc3\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1c1ccccc1","O=S(=O)(Nc2ccnn2(c1ccccc1))c3ccc(N)cc3","",1,"SULFAPHENAZOLE(1)","526-08-9(1)","1989","High Reliability"]
[1302,"CCOP(=S)(Oc1ccc(cc1)C#N)c2ccccc2\n\n\n","CCOP(=S)(c1ccccc1)Oc1ccc(cc1)C#N","N#Cc2ccc(OP(OCC)(c1ccccc1)=S)cc2","",1,"CYANOFENPHOS(1)","13067-93-1(1)","3950","High Reliability"]
[1303,"COc1c2ccc(=O)oc2cc3c1C=CC(C)(C)O3\n\n\n","COc1c2C=CC(Oc2cc2c1ccc(=O)o2)(C)C","O=C2Oc3cc1OC(C=Cc1c(OC)c3(C=C2))(C)C","",1,"Xanthoxyletin(1)","84-99-1(1)","549","High Reliability"]
[1304,"Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1\n\n\n","Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O","O=C(c1c(O)cc(O)cc1(O))CCc2ccc(O)cc2","",1,"PHLORETIN(1)","60-82-2(1)","194","High Reliability"]
[1305,"CCCOCC(=Nc1c(cc(Cl)cc1)C(F)(F)F)n2ccnc2\nCCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n2ccnc2\n\n","CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1","FC(F)(F)c2cc(ccc2(N=C(n1cncc1)COCCC))Cl","",1,"TRIFLUMIZOLE(1)","68694-11-1(1)","5114","High Reliability","Stereochemistry removed"]
[1306,"COC(=O)CSc1c(Cl)cc(F)c(c1)N=c2sc(=O)n3CCCCn23\nCOC(=O)CSc1cc(N=c2sc(=O)n3CCCCn23)c(F)cc1Cl\n\n","COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(cc1Cl)F",null,null,1,"Fluthiacet-methyl(1)","117337-19-6(1)","5613","High Reliability","Stereochemistry removed"]
[1307,"CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1\n\n\n","Clc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C","O=C(Nc2ccc(Oc1ccc(cc1)Cl)cc2)N(C)C","",1,"CHLOROXURON(1)","1982-47-4(1)","3056","High Reliability"]
[1308,"Cc1cccc(C)c1NC(=O)c2cc(c(Cl)cc2O)S(N)(=O)=O\n\n\n","O=C(c1cc(c(cc1O)Cl)S(=O)(=O)N)Nc1c(C)cccc1C","O=C(Nc1c(cccc1C)C)c2cc(c(cc2(O))Cl)S(=O)(=O)N","",1,"Xipamide(1)","14293-44-8(1)","4023","High Reliability"]
[1309,"Cc1c(Cl)c(C)c(Cc2ccccc2)c(O)c1\n\n\n","Oc1cc(C)c(c(c1Cc1ccccc1)C)Cl","Oc1cc(c(c(c1Cc2ccccc2)C)Cl)C","",1,"Phenol, 4-chloro-3,5-dimethyl-2-(phenylmethyl)-(1)","1867-85-2(1)","3006","Medium Reliability"]
[1310,"CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c2cncnc2\n\n\n","CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C","FC(F)(F)Oc1ccc(cc1)C(O)(c2cncnc2)C(C)C","",1,"FLURPRIMIDOL(1)","56425-91-3(1)","4930","High Reliability"]
[1311,"CCOc1cc2c(N)c3c(cc(N)cc3)nc2cc1\nO.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1\nO.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1.CC(O)C(O)=O\n","CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N","n2c1ccc(OCC)cc1c(N)c3ccc(N)cc23","",1,"3,9-Acridinediamine, 7-ethoxy-, monohydrate(1)","442-16-0(1)","1787","Medium Reliability","Differences in counterions"]
[1312,"Cn1c2c(n(CCOC(=O)c3cnccc3)cn2)c(=O)n(C)c1=O\n\n\n","O=C(c1cccnc1)OCCn1cnc2c1c(=O)n(C)c(=O)n2C","O=C(OCCn2cnc1c2(C(=O)N(C(=O)N1C)C))c3cnccc3","",1,"ETOFYLLINE NICOTINATE(1)","13425-39-3(1)","3975","High Reliability"]
[1313,"Cc1c(C)c(Nc2c(cccc2)C(O)=O)ccc1\nCc1cccc(Nc2ccccc2C(O)=O)c1C\n\n","OC(=O)c1ccccc1Nc1cccc(c1C)C","O=C(O)c2ccccc2(Nc1cccc(c1C)C)","",1,"MEFENAMIC ACID(1)","61-68-7(1)","200","High Reliability"]
[1314,"CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2\n\n\n","CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl","O=C(n1cncc1)N(CCOc2c(cc(cc2Cl)Cl)Cl)CCC","",1,"PROCHLORAZ(1)","67747-09-5(1)","5087","High Reliability"]
[1315,"CCC(Nc1ncnc(C)c1Cl)c2ccc(OC(F)F)cc2\n\n\n","CCC(c1ccc(cc1)OC(F)F)Nc1ncnc(c1Cl)C","FC(F)Oc1ccc(cc1)C(Nc2ncnc(c2Cl)C)CC","",1,"DIFLUMETORIM(1)","130339-07-0(1)","5676","High Reliability","Checked on PubChem, Checked on ChemID"]
[1316,"CSC(=O)c1c(nc(c(C(=O)SC)c1CC(C)C)C(F)(F)F)C(F)F\nCSC(=O)c1c(CC(C)C)c(C(=O)SC)c(nc1C(F)F)C(F)(F)F\n\n","CSC(=O)c1c(nc(c(c1CC(C)C)C(=O)SC)C(F)(F)F)C(F)F","O=C(c1c(nc(c(C(=O)SC)c1CC(C)C)C(F)(F)F)C(F)F)SC","",1,"Dithiopyr(1)","97886-45-8(1)","5411","Medium Reliability"]
[1317,"COc1ccc(cc1)C(O)(C2CC2)c3cncnc3\n\n\n","COc1ccc(cc1)C(c1cncnc1)(C1CC1)O","OC(c1cncnc1)(c2ccc(OC)cc2)C3CC3","",1,"ANCYMIDOL(1)","12771-68-5(1)","3945","Medium Reliability"]
[1318,"[Cl-].CN(C)c1ccc2nc3cc(C)c(N)cc3[s+]c2c1\n\n\n","CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C","n2c1ccc(cc1[s+]c3cc(N)c(cc23)C)N(C)C","",1,"Tolonium Chloride(1)","92-31-9(1)","684","High Reliability"]
[1319,"COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2\n\n\n","COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(n1)C","O=C(OC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)C)C","",1,"SULFOMETURON METHYL(1)","74222-97-2(1)","5193","High Reliability"]
[1320,"CC(C)(c1ccc(O)cc1)c2ccc(O)cc2\n\n\n","CC(c1ccc(cc1)O)(c1ccc(cc1)O)C","Oc1ccc(cc1)C(c2ccc(O)cc2)(C)C","",1,"DIPHENYLOLPROPANE(1)","80-05-7(1)","485","High Reliability"]
[1321,"COc1c(CC=C(C)C)c2c(ccc(=O)o2)cc1\nCOc1ccc2ccc(=O)oc2c1CC=C(C)C\n\n","COc1ccc2c(c1CC=C(C)C)oc(=O)cc2","O=C1Oc2c(C=C1)ccc(OC)c2CC=C(C)C","",1,"Osthole(1)","484-12-8(1)","1857","High Reliability"]
[1322,"CCCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N\n\n\n","CCCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N","N#Cc1cc(c(OC(=O)CCCCCCC)c(c1)Br)Br","",1,"BROMOXYNIL OCTANOATE(1)","1689-99-2(1)","2963","High Reliability"]
[1323,"CC(C)(C)C(O)C(=Cc1c(Cl)cc(Cl)cc1)n2cncn2\nCC(C)(C)C(O)C(=Cc1ccc(Cl)cc1Cl)n2cncn2\n\n","Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1","OC(C(=Cc1ccc(cc1Cl)Cl)n2ncnc2)C(C)(C)C","",1,"DINICONAZOLE(1)","83657-24-3(1)","5293","High Reliability","Stereochemistry removed"]
[1324,"CCCC1COC(Cn2cncn2)(O1)c3c(Cl)cc(Cl)cc3\nCCCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl\n\n","CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl","n1cnn(c1)CC2(OCC(O2)CCC)c3ccc(cc3Cl)Cl","",1,"PROPICONAZOLE(1)","60207-90-1(1)","4986","High Reliability"]
[1325,"CCCCC(Cn1cncn1)(C#N)c2ccc(Cl)cc2\n\n\n","CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N","N#CC(c1ccc(cc1)Cl)(Cn2ncnc2)CCCC","",1,"MYCLOBUTANIL(1)","88671-89-0(1)","5329","High Reliability"]
[1326,"C(Cc1ccccc1)NCc2ccccc2\n\n\n","c1ccc(cc1)CNCCc1ccccc1","c1ccc(cc1)CNCCc2ccccc2","",1,"Benzeneethanamine, N-(phenylmethyl)-(1)","3647-71-0(1)","3408","High Reliability"]
[1327,"CN(C)c1ccc(cc1)N=Nc2cc(C)ccc2\nCN(C)c1ccc(cc1)N=Nc2cccc(C)c2\n\n","Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C","N(=Nc1cccc(c1)C)c2ccc(cc2)N(C)C","",1,"4-DIMETHYLAMINO-3'-METHYLAZOBENZENE(1)","55-80-1(1)","86","High Reliability"]
[1328,"COc1ccc(NC(=N)Nc2ccc(OC)cc2)cc1\n\n\n","COc1ccc(cc1)NC(=N)Nc1ccc(cc1)OC","N=C(Nc1ccc(OC)cc1)Nc2ccc(OC)cc2","",1,"Guanidine, N,N'-bis(4-methoxyphenyl)-(1)","68339-75-3(1)","5109","Medium Reliability"]
[1329,"COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c2nc(OC)nc(C)n2\nCOC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c2nc(C)nc(OC)n2\n\n","COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C","O=C(OC)c1ccccc1S(=O)(=O)NC(=O)N(c2nc(nc(n2)C)OC)C","",1,"Tribenuron-methyl(1)","101200-48-0(1)","5458","High Reliability"]
[1330,"COC(=O)C1CCCN1C(=O)COC(=O)c2ccccc2\n\n\n","COC(=O)C1CCCN1C(=O)COC(=O)c1ccccc1","O=C(OCC(=O)N1CCCC1(C(=O)OC))c2ccccc2","",1,"L-PROLINE, N-[(BENZOYLOXY)ACETYL]-, METHYL ESTER(1)","115178-76-2(1)","5591","Medium Reliability","Stereochemistry removed"]
[1331,"CC(C)c1cc-2c(C)ccc2c(C)cc1\nCC(C)c1ccc(C)c-2ccc(C)c2c1\n\n","CC(c1ccc(c2c(c1)c(C)cc2)C)C","C1=CC(=C2C=C(C=CC(=C12)C)C(C)C)C","",1,"Azulene, 1,4-dimethyl-7-(1-methylethyl)-(1)","489-84-9(1)","1871","High Reliability"]
[1332,"CC(C)Oc1cc(-n2nc(oc2=O)C(C)(C)C)c(Cl)cc1Cl\n\n\n","CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C","O=C1OC(=NN1c2cc(OC(C)C)c(cc2Cl)Cl)C(C)(C)C","",1,"OXADIAZON(1)","19666-30-9(1)","4234","High Reliability"]
[1333,"CC(C1CC1)C(O)(Cn2cncn2)c3ccc(Cl)cc3\n\n\n","CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1","OC(c1ccc(cc1)Cl)(Cn2ncnc2)C(C)C3CC3","",2,"Cyproconazole(2)","94361-06-5(1), 94361-07-6(1)","5387, 5388","High Reliability","Stereochemistry removed"]
[1334,"CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n2cncn2\n\n\n","OC(C(C)(C)C)C(=Cc1ccc(cc1)Cl)n1ncnc1","OC(C(=Cc1ccc(cc1)Cl)n2ncnc2)C(C)(C)C","",2,"Uniconazole-P(1), Uniconazole(1)","83657-17-4(1), 83657-22-1(1)","5291, 5292","High Reliability","Stereochemistry removed"]
[1335,"CCC(C)c1cc(cc(c1OC(=O)C=C(C)C)[N+]([O-])=O)[N+]([O-])=O\n\n\n","CCC(c1cc(cc(c1OC(=O)C=C(C)C)[N+](=O)[O-])[N+](=O)[O-])C","O=C(Oc1c(cc(cc1C(C)CC)[N+](=O)[O-])[N+](=O)[O-])C=C(C)C","",1,"BINAPACRYL(1)","485-31-4(1)","1858","High Reliability"]
[1336,"CC(=NNc1nc(C)cc(C)n1)c2ccccc2C\n\n\n","Cc1cc(C)nc(n1)NN=C(c1ccccc1C)C","N(Nc1nc(cc(n1)C)C)=C(c2ccccc2C)C","",1,"Ferimzone(1)","89269-64-7(1)","5335","High Reliability","Stereochemistry removed"]
[1337,"CCOc1ccccc1OS(=O)(=O)NC(O)=Nc2nc(OC)cc(OC)n2\nCCOc1ccccc1OS(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2\n\n","CCOc1ccccc1OS(=O)(=O)NC(=Nc1nc(OC)cc(n1)OC)O","O=S(=O)(Oc1ccccc1(OCC))NC(O)=Nc2nc(OC)cc(n2)OC","",1,"Ethoxysulfuron(1)","126801-58-9(1)","5660","Medium Reliability"]
[1338,"CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC)n1\nCCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1\n\n","CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC","O=C(OC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(nc(n2)NC)OCC","",1,"ETHAMETSULFURON-METHYL(1)","97780-06-8(1)","5409","High Reliability"]
[1339,"CC1C2CCC3(C)C=CC(=O)C(C)=C3C2OC1=O\n\n\n","CC1C(=O)OC2C1CCC1(C2=C(C)C(=O)C=C1)C","O=C1C=CC2(C(=C1C)C3OC(=O)C(C)C3(CC2))(C)","",1,"SANTONIN(1)","481-06-1(1)","1851","High Reliability","Stereochemistry removed"]
[1340,"CC(=C)C1C2OC(=O)C1C3(O)C4OC4C5(CO5)C3(C)C2O\n\n\n","O=C1OC2C(C1C1(O)C3OC3C3(C1(C2O)C)CO3)C(=C)C","O=C4OC5C(O)C3(C)(C(O)(C1OC1C23(OC2))C4C5(C(=C)C))","",1,"Tutin(1)","2571-22-4(1)","3239","High Reliability","Stereochemistry removed"]
[1341,"CC(=C)C1C2OC(=O)C1C3(O)CC4OC45C(=O)OC2C35C.CC(C)(O)C1C2OC(=O)C1C3(O)CC4OC45C(=O)OC2C35C\n\n\n","O=C1OC2C(C1C1(O)CC3C4(C1(C2OC4=O)C)O3)C(O)(C)C","O=C1OC2C3OC(=O)C45(OC5(CC(O)(C1C2C(O)(C)C)C34(C)))","",1,"PICROTOXIN(1)","124-87-8(1)","1454","High Reliability","Organic counterion, Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1342,"[H]C12OC(=O)C([H])(C3(O)C4OC4C5(CO5)C3(C)C1O)C2(O)C(C)=C\nCC(=C)C1(O)C2OC(=O)C1C3(O)C4OC4C5(CO5)C3(C)C2O\n\n","O=C1OC2C(C1C1(O)C3OC3C3(C1(C2O)C)CO3)(O)C(=C)C","O=C4OC5C(O)C3(C)(C(O)(C1OC1C23(OC2))C4C5(O)(C(=C)C))","",1,"Hyenanchin(1)","3484-46-6(1)","3388","High Reliability","Stereochemistry removed"]
[1343,"OCC1OC(Oc2ccccc2C=CC(O)=O)C(O)C(O)C1O\n\n\n","OCC1OC(Oc2ccccc2C=CC(=O)O)C(C(C1O)O)O","O=C(O)C=Cc2ccccc2(OC1OC(CO)C(O)C(O)C1(O))","",1,"Melilotoside(1)","618-67-7(1)","2466","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1344,"CN(C)C(O)=Nc1cc(Cl)c(cc1)-n2nc(oc2=O)C(C)(C)C\nCN(C)C(=O)Nc1ccc(-n2nc(oc2=O)C(C)(C)C)c(Cl)c1\n\n","OC(=Nc1ccc(c(c1)Cl)n1nc(oc1=O)C(C)(C)C)N(C)C","O=C1OC(=NN1c2ccc(N=C(O)N(C)C)cc2Cl)C(C)(C)C","",1,"DIMEFURON(1)","34205-21-5(1)","4583","High Reliability"]
[1345,"CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(c1)C(O)=O\n\n\n","CCc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C","O=C(O)c2cc(cnc2(C1=NC(C(=O)N1)(C)C(C)C))CC","",1,"Imazethapyr(1)","81335-77-5(1)","5263","High Reliability"]
[1346,"COCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(c1)C(O)=O\n\n\n","COCc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C","O=C(O)c2cc(cnc2(C1=NC(C(=O)N1)(C)C(C)C))COC","",1,"Imazamox(1)","114311-32-9(1)","5579","High Reliability"]
[1347,"COCCOc1ccccc1S(=O)(=O)N=C(O)N=c2nc([nH]c(OC)n2)OC\nCOCCOc1ccccc1S(=O)(=O)NC(=O)Nc2nc(OC)nc(OC)n2\n\n","COCCOc1ccccc1S(=O)(=O)N=C(N=c1nc(OC)[nH]c(n1)OC)O","O=S(=O)(N=C(O)N=C1N=C(OC)NC(=N1)OC)c2ccccc2(OCCOC)","",1,"CINOSULFURON(1)","94593-91-6(1)","5390","High Reliability"]
[1348,"CN1C2CCC1CC(C2)OC(=O)c3ccccc3\n\n\n","CN1C2CCC1CC(C2)OC(=O)c1ccccc1","O=C(OC2CC1N(C)C(CC1)C2)c3ccccc3","",1,"TROPACOCAINE(1)","537-26-8(1)","2045","High Reliability","Checked on PubChem, Checked on ChemID"]
[1349,"CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n2cncn2\nCC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n2cncn2.CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n2cncn2\n\n","OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl","OC(C(n1ncnc1)Cc2ccc(cc2)Cl)C(C)(C)C","",1,"PACLOBUTRAZOL(1)","76738-62-0(1)","5232","High Reliability","Differences in counterions, Stereochemistry removed"]
[1350,"CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2\n\n\n","O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1","O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)C(=O)C","",1,"DIMELIN(1)","968-81-0(1)","2782","High Reliability"]
[1351,"CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl\n\n\n","CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C","O=C(OC(C)CCCCCC)COc1nc(F)c(c(N)c1Cl)Cl","",1,"Fluroxypyr-meptyl(1)","81406-37-3(1)","5265","High Reliability"]
[1352,"CC1CC(CC(C)(C)N1)OC(=O)c2ccccc2\n\n\n","CC1CC(OC(=O)c2ccccc2)CC(N1)(C)C","O=C(OC1CC(NC(C)(C)C1)C)c2ccccc2","",1,"BETA-EUCAINE(1)","500-34-5(1)","1912","High Reliability","Stereochemistry removed"]
[1353,"CCOC(=O)C1(CCN(C)CC1)c2ccccc2\n[H+].[Cl-].CCOC(=O)C1(CCN(C)CC1)c2ccccc2\n\n","CCOC(=O)C1(CCN(CC1)C)c1ccccc1","O=C(OCC)C2(c1ccccc1)(CCN(C)CC2)","",2,"MEPERIDINE(1), DEMEROL(1)","50-13-5(1), 57-42-1(1)","7, 125","Medium Reliability, High Reliability","Differences in counterions"]
[1354,"CCCN(CCC)C(=O)COC(=O)c1ccccc1\n\n\n","CCCN(C(=O)COC(=O)c1ccccc1)CCC","O=C(OCC(=O)N(CCC)CCC)c1ccccc1","",1,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-DIPROPYL-(1)","106231-55-4(1)","5507","Medium Reliability"]
[1355,"COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C\n\n\n","COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C","O=C(OC)C(N(C(=O)COC)c1c(cccc1C)C)C","",2,"METALAXYL(1), Metalaxyl-M(1)","57837-19-1(1), 70630-17-0(1)","4950, 5146","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1356,"CC(C)(SC(=O)N1CCCCC1)c2ccccc2\n\n\n","O=C(N1CCCCC1)SC(c1ccccc1)(C)C","O=C(N1CCCCC1)SC(c2ccccc2)(C)C","",1,"Dimepiperate(1)","61432-55-1(1)","5006","High Reliability"]
[1357,"CC(C)(C)C(Br)C(O)=NC(C)(C)c1ccccc1\nCC(C)(C)C(Br)C(=O)NC(C)(C)c1ccccc1\n\n","BrC(C(C)(C)C)C(=NC(c1ccccc1)(C)C)O","OC(=NC(c1ccccc1)(C)C)C(C(C)(C)C)Br","",1,"BROMOBUTIDE(1)","74712-19-9(1)","5212","High Reliability"]
[1358,"CCc1c(N(C(C)COC)C(=O)CCl)c(C)ccc1\nCCc1cccc(C)c1N(C(C)COC)C(=O)CCl\n\n","COCC(N(c1c(C)cccc1CC)C(=O)CCl)C","O=C(N(c1c(cccc1CC)C)C(C)COC)CCl","",1,"METOLACHLOR(1)","51218-45-2(1)","4804","High Reliability"]
[1359,"CCc1cccc(C)c1N(COC(C)C)C(=O)CCl\n\n\n","ClCC(=O)N(c1c(C)cccc1CC)COC(C)C","O=C(N(c1c(cccc1CC)C)COC(C)C)CCl","",1,"Propisochlor(1)","86763-47-5(1)","5313","High Reliability"]
[1360,"CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C\n\n\n","CCCn1cnc2c1c(=O)n(CCCCC(=O)C)c(=O)n2C","O=C2c1c(ncn1CCC)N(C(=O)N2CCCCC(=O)C)C","",1,"Propentofylline(1)","55242-55-2(1)","4903","High Reliability"]
[1361,"CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1\n\n\n","CCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O","O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1","",1,"OCTYL GALLATE(1)","1034-01-1(1)","2805","High Reliability"]
[1362,"OCC1OC(OC2OC=CC3C(O)C=C(CO)C23)C(O)C(O)C1O\n\n\n","OCC1=CC(C2C1C(OC=C2)OC1OC(CO)C(C(C1O)O)O)O","OCC2=CC(O)C3C=COC(OC1OC(CO)C(O)C(O)C1(O))C23","",1,"Aucubin(1)","479-98-1(1)","1846","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1363,"CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)C(C)C)[N+]([O-])=O\n\n\n","CCCN(c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-])CCC","O=[N+]([O-])c1cc(cc(c1N(CCC)CCC)[N+](=O)[O-])C(C)C","",1,"ISOPROPALIN(1)","33820-53-0(1)","4572","High Reliability"]
[1364,"CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C\n\n\n","CC(N(C(=O)C(C)(C)C)Cc1ccccc1)C","O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C","",1,"Tebutam(1)","35256-85-0(1)","4609","High Reliability"]
[1365,"CCCCCCCCOC(=O)c1ccc(N)cc1\n\n\n","CCCCCCCCOC(=O)c1ccc(cc1)N","O=C(OCCCCCCCC)c1ccc(N)cc1","",1,"BENZOIC ACID, 4-AMINO-, OCTYL ESTER(1)","14309-41-2(1)","4028","High Reliability"]
[1366,"CCCCCCCCCOC(=O)c1cnccc1\n\n\n","CCCCCCCCCOC(=O)c1cccnc1","O=C(OCCCCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxylic acid, nonyl ester(1)","98841-58-8(1)","5429","Medium Reliability"]
[1367,"CCOc1ccc(cc1)C(=O)OCCN(CC)CC\n\n\n","CCOc1ccc(cc1)C(=O)OCCN(CC)CC","O=C(OCCN(CC)CC)c1ccc(OCC)cc1","",1,"Parethoxycaine(1)","94-23-5(1)","723","High Reliability"]
[1368,"CC1CC(C)C(=O)C(C1)C(O)CC2CC(=O)NC(=O)C2\n\n\n","CC1CC(C)C(=O)C(C1)C(CC1CC(=O)NC(=O)C1)O","O=C1NC(=O)CC(C1)CC(O)C2C(=O)C(C)CC(C)C2","",1,"CYCLOHEXIMIDE(1)","66-81-9(1)","246","High Reliability","Stereochemistry removed"]
[1369,"CCN(C(C)C(C)C)C(=O)SCc1ccccc1\n\n\n","CCN(C(C(C)C)C)C(=O)SCc1ccccc1","O=C(N(CC)C(C)C(C)C)SCc1ccccc1","",1,"ESPROCARB(1)","85785-20-2(1)","5309","High Reliability"]
[1370,"CCCCCCCCCN=C(O)c1cnccc1\nCCCCCCCCCNC(=O)c1cccnc1\n\n","CCCCCCCCCN=C(c1cccnc1)O","OC(=NCCCCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxamide, N-nonyl-(1)","81475-35-6(1)","5267","Medium Reliability"]
[1371,"CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C\n\n\n","CCOP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C","O=C(OC(C)C)c1ccccc1(OP(OCC)(NC(C)C)=S)","",1,"ISOFENPHOS(1)","25311-71-1(1)","4387","High Reliability"]
[1372,"Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C\n\n\n","Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C","Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C","",1,"2,6-DI-T-BUTYL-4-METHYLPHENOL (BHT)(1)","128-37-0(1)","1486","Medium Reliability"]
[1373,"CCCCCCCCCc1ccc(O)cc1\n\n\n","CCCCCCCCCc1ccc(cc1)O","Oc1ccc(cc1)CCCCCCCCC","",1,"P-NONYLPHENOL(1)","104-40-5(1)","952","Medium Reliability"]
[1374,"COCCc1ccc(OCC(O)CNC(C)C)cc1\n\n\n","COCCc1ccc(cc1)OCC(CNC(C)C)O","OC(COc1ccc(cc1)CCOC)CNC(C)C","",1,"METOPROLOL(1)","37350-58-6(1)","4643","High Reliability"]
[1375,"OS(O)(=O)=O.C1CCN2CC3CC(CN4CCCCC34)C2C1\n\n\n","C1CCC2N(C1)CC1CC2CN2C1CCCC2","N13(CCCCC1C4CN2CCCCC2C(C3)C4)","",1,"SPARTEINE SULFATE(1)","299-39-8(1)","1696","High Reliability","Checked on PubChem, Checked on ChemID"]
[1376,"OC1=NCCCCCCCCCCCCCC1\nO=C1CCCCCCCCCCCCCCN1\n\n","OC1=NCCCCCCCCCCCCCC1","OC1=NCCCCCCCCCCCCCC1","",1,"Azacyclohexadecan-2-one(1)","50768-64-4(1)","4788","Medium Reliability"]
[1377,"CCCCCCCCCCCCCCC\n\n\n","CCCCCCCCCCCCCCC","CCCCCCCCCCCCCCC","",1,"N-PENTADECANE(1)","629-62-9(1)","2568","High Reliability"]
[1378,"CCCCCCCCCCCCCCCO\n\n\n","CCCCCCCCCCCCCCCO","OCCCCCCCCCCCCCCC","",1,"1-PENTADECANOL(1)","629-76-5(1)","2569","High Reliability"]
[1379,"CCCCCN(CCCCC)CCCCC\n\n\n","CCCCCN(CCCCC)CCCCC","N(CCCCC)(CCCCC)CCCCC","",1,"1-Pentanamine, N,N-dipentyl-(1)","621-77-2(1)","2482","High Reliability"]
[1380,"FC(F)(F)c1nc2c(cc(Cl)c(Cl)c2)n1C(=O)Oc3ccccc3\nFC(F)(F)c1nc2cc(Cl)c(Cl)cc2n1C(=O)Oc3ccccc3\n\n","Clc1cc2nc(n(c2cc1Cl)C(=O)Oc1ccccc1)C(F)(F)F","O=C(Oc1ccccc1)n3c(nc2cc(c(cc23)Cl)Cl)C(F)(F)F","",1,"Fenazaflor(1)","14255-88-0(1)","4022","High Reliability"]
[1381,"Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1\n\n\n","Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl","Fc3ccc(Oc2ccnc1cc(cc(c12)Cl)Cl)cc3","",1,"Quinoline, 5,7-dichloro-4-(4-fluorophenoxy)-(1)","124495-18-7(1)","5653","High Reliability"]
[1382,"c1cc-2c(cc1)-c3c4c2cccc4ccc3\nc1ccc-2c(c1)-c3cccc4cccc2c34\n\n","c1ccc2c(c1)c1cccc3c1c2ccc3","c1ccc2c(c1)c4cccc3cccc2c34","",1,"FLUORANTHENE(1)","206-44-0(1)","1652","High Reliability"]
[1383,"c1cc2c3c(ccc4cccc(cc2)c34)c1\nc1cc2ccc3cccc4ccc(c1)c2c34\n\n","c1cc2ccc3c4c2c(c1)ccc4ccc3","c1cc2ccc3cccc4ccc(c1)c2c34","",1,"PYRENE(1)","129-00-0(1)","1489","High Reliability"]
[1384,"OC(=O)c1c2ccccc2nc(c1)-c3ccccc3\nOC(=O)c1cc(nc2ccccc12)-c3ccccc3\n\n","OC(=O)c1cc(nc2c1cccc2)c1ccccc1","O=C(O)c2cc(nc1ccccc12)c3ccccc3","",1,"2-PHENYLCINCHONINIC ACID(1)","132-60-5(1)","1504","Medium Reliability"]
[1385,"N1c2ccccc2Sc3c1ccc4ccccc34\n\n\n","c1ccc2c(c1)Nc1c(S2)c2ccccc2cc1","c1ccc4c(c1)ccc3Nc2ccccc2Sc34","",1,"7H-Benzo[c]phenothiazine(1)","226-06-2(1)","1663","High Reliability"]
[1386,"CCN(Cc1c(Cl)cccc1F)c2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O\n\n\n","CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])Cc1c(F)cccc1Cl","O=[N+]([O-])c1cc(cc(c1N(Cc2c(F)cccc2Cl)CC)[N+](=O)[O-])C(F)(F)F","",1,"FLUMETRALIN(1)","62924-70-3(1)","5020","High Reliability"]
[1387,"CC(Oc1ccc(Oc2nc3c(o2)cc(Cl)cc3)cc1)C(O)=O\nCC(Oc1ccc(Oc2oc3cc(Cl)ccc3n2)cc1)C(O)=O\n\n","OC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C","O=C(O)C(Oc3ccc(Oc1nc2ccc(cc2(o1))Cl)cc3)C","",1,"FENOXAPROP-P(1)","113158-40-0(1)","5574","High Reliability","Stereochemistry removed"]
[1388,"Oc1c(N=Nc2ccc(cc2)S(O)(=O)=O)c3ccccc3cc1\nOS(=O)(=O)c1ccc(NN=C2C(=O)C=Cc3ccccc23)cc1\n\n","O=C1C=Cc2c(C1=NNc1ccc(cc1)S(=O)(=O)O)cccc2","O=C3C=Cc1ccccc1C3(=NNc2ccc(cc2)S(=O)(=O)O)","",1,"C.I. ACID ORANGE 7 (FREE ACID) (7CI)(1)","573-89-7(1)","2207","Medium Reliability","Stereochemistry removed"]
[1389,"OC(=O)c1ccccc1CC(=O)c2ccccc2C(O)=O\n\n\n","OC(=O)c1ccccc1CC(=O)c1ccccc1C(=O)O","O=C(O)c2ccccc2(C(=O)Cc1ccccc1(C(=O)O))","",1,"Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis-(1)","4281-16-7(1)","3477","High Reliability"]
[1390,"OC1=CC2=C3c4c(OCC3(O)CC2=CC1=O)c(O)c(O)cc4\nOc1ccc2c(OCC3(O)CC4=CC(=O)C(=CC4=C23)O)c1O\n\n","O=C1C=C2CC3(C(=C2C=C1O)c1ccc(c(c1OC3)O)O)O","O=C1C=C3C(C=C1(O))=C2c4ccc(O)c(O)c4(OCC2(O)C3)","",1,"Hematein(1)","475-25-2(1)","1837","High Reliability"]
[1391,"OC(=O)C(c1ccccc1C(O)=O)c2ccccc2C(O)=O\n\n\n","OC(=O)C(c1ccccc1C(=O)O)c1ccccc1C(=O)O","O=C(O)c1ccccc1C(C(=O)O)c2ccccc2(C(=O)O)","",1,"Acetic acid, bis(2-carboxyphenyl)-(1)","22589-07-7(1)","4321","Medium Reliability"]
[1392,"COC(=O)C(C)Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1\n\n\n","COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C","O=C(OC)C(Oc2ccc(Oc1ncc(cc1Cl)C(F)(F)F)cc2)C","",1,"HALOXYFOP-METHYL(1)","69806-40-2(1)","5130","High Reliability"]
[1393,"CC(N(C(=O)c1ccccc1)c2cc(Cl)c(F)cc2)C(O)=O\nCC(N(c1ccc(F)c(Cl)c1)C(=O)c2ccccc2)C(O)=O\n\n","OC(=O)C(N(C(=O)c1ccccc1)c1ccc(c(c1)Cl)F)C","O=C(O)C(N(C(=O)c1ccccc1)c2ccc(F)c(c2)Cl)C","",1,"FLAMPROP(1)","58667-63-3(1)","4961","High Reliability"]
[1394,"CN1c2c(cc(Cl)cc2)C(=NCC1=O)c3ccccc3\nCN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13\n\n","Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1","O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))Cl)C","",1,"DIAZEPAM(1)","439-14-5(1)","1785","High Reliability"]
[1395,"OC(Cn1cncn1)(c2ccc(F)cc2)c3c(F)cccc3\nOC(Cn1cncn1)(c2ccc(F)cc2)c3ccccc3F\n\n","Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O","Fc1ccc(cc1)C(O)(c2ccccc2(F))Cn3ncnc3","",1,"FLUTRIAFOL (PP450)(1)","76674-21-0(1)","5231","Medium Reliability"]
[1396,"N(c1ccccc1)c2c3ccccc3ccc2\nN(c1ccccc1)c2cccc3ccccc23\n\n","c1ccc(cc1)Nc1cccc2c1cccc2","c1ccc(cc1)Nc3cccc2ccccc23","",1,"1-NAPHTHALENAMINE, N-PHENYL-(1)","90-30-2(1)","654","High Reliability"]
[1397,"Nc1ccc2ccccc2c1N=Nc3ccccc3\n\n\n","Nc1ccc2c(c1N=Nc1ccccc1)cccc2","N(=Nc1c(N)ccc2ccccc12)c3ccccc3","",1,"2-Naphthalenamine, 1-(phenylazo)-(1)","85-84-7(1)","566","Medium Reliability"]
[1398,"COc1cc(N=C(O)c2cnccc2)c3ncccc3c1\nCOc1cc(NC(=O)c2cccnc2)c3ncccc3c1\n\n","COc1cc2cccnc2c(c1)N=C(c1cccnc1)O","OC(=Nc1cc(OC)cc2cccnc12)c3cnccc3","",1,"Nicotinamide, N-(6-methoxy-8-quinolyl)-(1)","19275-71-9(1)","4221","Medium Reliability"]
[1399,"COC(=O)Nc1nc2c([nH]1)ccc(c2)C(=O)c3ccccc3\nCOC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3\n\n","COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1","O=C(OC)Nc1nc2cc(ccc2([nH]1))C(=O)c3ccccc3","",1,"MEBENDAZOLE(1)","31431-39-7(1)","4525","High Reliability"]
[1400,"Cc1c2ccccc2c(C)c3ccccc13\n\n\n","Cc1c2ccccc2c(c2c1cccc2)C","c1ccc3c(c1)c(c2ccccc2c3C)C","",1,"9,10-DIMETHYLANTHRACENE(1)","781-43-1(1)","2688","High Reliability"]
[1401,"CCc1cc2cc3ccccc3cc2cc1\nCCc1ccc2cc3ccccc3cc2c1\n\n","CCc1ccc2c(c1)cc1c(c2)cccc1","c1ccc2cc3cc(ccc3(cc2(c1)))CC","",1,"2-ETHYLANTHRACENE(1)","52251-71-5(1)","4830","High Reliability"]
[1402,"CCOC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2\n\n\n","CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O","O=C(OCC)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl","",1,"CHLOROBENZILATE(1)","510-15-6(1)","1948","High Reliability"]
[1403,"COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1\n\n\n","COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C","O=C(OC)C(Oc2ccc(Oc1ccc(cc1Cl)Cl)cc2)C","",1,"DICLOFOP-METHYL(1)","51338-27-3(1)","4810","High Reliability"]
[1404,"Cl.CNC1=Nc2ccc(Cl)cc2C(c3ccccc3)=N(=O)C1\nCNC1=Nc2c(cc(Cl)cc2)C(c3ccccc3)=N(=O)C1\n[H+].[Cl-].CN=C1CN(O)C(=c2cc(Cl)ccc2=N1)c3ccccc3\nCN=C1CN(O)C(=c2cc(Cl)ccc2=N1)c3ccccc3","CNC1=Nc2ccc(cc2C(=[N+](C1)[O-])c1ccccc1)Cl","[O-][N+]2=C(c1ccccc1)c3cc(ccc3(N=C(NC)C2))Cl","",1,"LIBRIUM(1)","58-25-3(1)","148","High Reliability","Differences in counterions"]
[1405,"CN(C(=O)COc1nc2ccccc2s1)c3ccccc3\n\n\n","O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2","O=C(N(c1ccccc1)C)COc3nc2ccccc2s3","",1,"MEFENACET(1)","73250-68-7(1)","5181","High Reliability"]
[1406,"CC(C(O)=O)c1cc(ccc1)C(=O)c2ccccc2\nCC(C(O)=O)c1cccc(c1)C(=O)c2ccccc2\n\n","OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C","O=C(O)C(c1cccc(c1)C(=O)c2ccccc2)C","",1,"KETOPROFEN(1)","22071-15-4(1)","4308","High Reliability"]
[1407,"CCOC(=O)c1ccccc1C(=O)c2ccccc2\n\n\n","CCOC(=O)c1ccccc1C(=O)c1ccccc1","O=C(OCC)c2ccccc2(C(=O)c1ccccc1)","",1,"Benzoic acid, 2-benzoyl-, ethyl ester(1)","604-61-5(1)","2377","High Reliability"]
[1408,"OC(=O)CCC(=O)c1ccc(cc1)-c2ccccc2\n\n\n","O=C(c1ccc(cc1)c1ccccc1)CCC(=O)O","O=C(O)CCC(=O)c1ccc(cc1)c2ccccc2","",1,"FENBUFEN(1)","36330-85-5(1)","4626","High Reliability"]
[1409,"OC(=O)CC(C(O)=O)(c1ccccc1)c2ccccc2\n\n\n","OC(=O)C(c1ccccc1)(c1ccccc1)CC(=O)O","O=C(O)CC(C(=O)O)(c1ccccc1)c2ccccc2","",1,"Butanedioic acid, 2,2-diphenyl-(1)","10186-26-2(1)","3905","Medium Reliability"]
[1410,"CC(Oc1c(Cl)c(C)c(Cl)cc1)C(O)=Nc2ccccc2\nCC(Oc1ccc(Cl)c(C)c1Cl)C(=O)Nc2ccccc2\n\n","OC(=Nc1ccccc1)C(Oc1ccc(c(c1Cl)C)Cl)C","OC(=Nc1ccccc1)C(Oc2ccc(c(c2Cl)C)Cl)C","",1,"CLOMEPROP(1)","84496-56-0(1)","5300","High Reliability"]
[1411,"CCOCOc1ccc(cc1)C(=O)Nc2cccc(Cl)c2Cl\n\n\n","CCOCOc1ccc(cc1)C(=O)Nc1cccc(c1Cl)Cl","O=C(Nc1cccc(c1Cl)Cl)c2ccc(OCOCC)cc2","",1,"Etobenzanid(1)","79540-50-4(1)","5255","High Reliability","Checked on PubChem, Checked on ChemID"]
[1412,"COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl\n\n\n","COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC","O(c1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)C","",1,"METHOXYCHLOR(1)","72-43-5(1)","294","Medium Reliability"]
[1413,"C1Cc2ccc3CCCc4c3c2c(C1)cc4\nC1Cc2ccc3CCCc4ccc(C1)c2c34\n\n","C1Cc2ccc3c4c2c(C1)ccc4CCC3","c1cc3c2c4c1CCCc4(ccc2CCC3)","",1,"1,2,3,6,7,8-Hexahydropyrene(1)","1732-13-4(1)","2975","High Reliability"]
[1414,"CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)S(N)(=O)=O\n\n\n","CC1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(=O)(=O)N","O=C1c3cc(c(cc3(NC(N1c2ccccc2C)C))Cl)S(=O)(=O)N","",1,"Metolazone(1)","17560-51-9(1)","4158","High Reliability"]
[1415,"Cc1cnc2c(ccc3c(C)c(C)cnc23)c1C\n\n\n","Cc1c(C)cnc2c1ccc1c2ncc(c1C)C","n2cc(c(c3ccc1c(ncc(c1C)C)c23)C)C","",1,"1,10-Phenanthroline, 3,4,7,8-tetramethyl-(1)","1660-93-1(1)","2955","High Reliability"]
[1416,"COC(=O)Nc1cc(OC(=O)Nc2cccc(C)c2)ccc1\nCOC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1\n\n","COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C","O=C(Oc1cccc(c1)NC(=O)OC)Nc2cccc(c2)C","",1,"PHENMEDIPHAM(1)","13684-63-4(1)","3997","High Reliability"]
[1417,"CCOC(=O)Nc1cc(OC(=O)Nc2ccccc2)ccc1\nCCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1\n\n","CCOC(=O)Nc1cccc(c1)OC(=O)Nc1ccccc1","O=C(Oc1cccc(c1)NC(=O)OCC)Nc2ccccc2","",1,"DESMEDIPHAM(1)","13684-56-5(1)","3996","High Reliability"]
[1418,"COc1c(C)cc(cc1)C(=O)c2cccc(C)c2\n\n\n","COc1ccc(cc1C)C(=O)c1cccc(c1)C","O=C(c1cccc(c1)C)c2ccc(OC)c(c2)C","",1,"4-Methoxy-3,3'-dimethylbenzophenone(1)","41295-28-7(1)","4741","High Reliability"]
[1419,"COC(=O)c1c(CC(C)C)c(C2=NCCS2)c(nc1C(F)F)C(F)(F)F\n\n\n","COC(=O)c1c(nc(c(c1CC(C)C)C1=NCCS1)C(F)(F)F)C(F)F","O=C(OC)c2c(nc(c(C1=NCCS1)c2CC(C)C)C(F)(F)F)C(F)F","",1,"Thiazopyr(1)","117718-60-2(1)","5616","High Reliability"]
[1420,"CN(C)C(=O)C(c1ccccc1)c2ccccc2\n\n\n","CN(C(=O)C(c1ccccc1)c1ccccc1)C","O=C(N(C)C)C(c1ccccc1)c2ccccc2","",1,"DIPHENAMID(1)","957-51-7(1)","2775","High Reliability"]
[1421,"CCOC(=O)C1=NN(c2c(Cl)cc(Cl)cc2)C(C)(C1)C(=O)OCC\nCCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(C)(C1)C(=O)OCC\n\n","CCOC(=O)C1(C)CC(=NN1c1ccc(cc1Cl)Cl)C(=O)OCC","O=C(OCC)C2=NN(c1ccc(cc1Cl)Cl)C(C(=O)OCC)(C)C2","",1,"Mefenpyr-diethyl(1)","135590-91-9(1)","5685","Medium Reliability"]
[1422,"COc1c(CN(C(=O)CCl)c2c(C)cccc2C)scc1\n\n\n","ClCC(=O)N(c1c(C)cccc1C)Cc1sccc1OC","O=C(N(c1c(cccc1C)C)Cc2c(OC)ccs2)CCl","",1,"Thenylchlor(1)","96491-05-3(1)","5404","High Reliability"]
[1423,"COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1\n\n\n","COc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C","O=C(Nc2ccc(Oc1ccc(OC)cc1)cc2)N(C)C","",1,"DIFENOXURON(1)","14214-32-5(1)","4020","High Reliability"]
[1424,"[Cl-].CN(C)c1cc2[s+]c3c(ccc(c3)N(C)C)nc2cc1\n[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C\n\n","CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C","n2c1ccc(cc1[s+]c3cc(ccc23)N(C)C)N(C)C","",1,"METHYLENE BLUE(1)","61-73-4(1)","201","High Reliability"]
[1425,"CCS(=O)(=O)c1c(n2ccccc2n1)S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3\n\n\n","COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC","O=C(Nc1nc(OC)cc(n1)OC)NS(=O)(=O)c3c(nc2ccccn23)S(=O)(=O)CC","",1,"SULFOSULFURON(1)","141776-32-1(1)","5711","High Reliability"]
[1426,"O=P(Oc1ccccc1)(Oc2ccccc2)N3CCOCC3\n\n\n","O=P(N1CCOCC1)(Oc1ccccc1)Oc1ccccc1","O=P(Oc1ccccc1)(Oc2ccccc2)N3CCOCC3","",1,"Phosphonic acid, 4-morpholinyl-, diphenyl ester(1)","7412-25-1(1)","3839","Medium Reliability"]
[1427,"OC1CC(O)(CC(OC(=O)C=Cc2cc(O)c(O)cc2)C1O)C(O)=O\nOC1CC(O)(CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O)C(O)=O\n\n","O=C(OC1CC(O)(CC(C1O)O)C(=O)O)C=Cc1ccc(c(c1)O)O","O=C(OC1CC(O)(C(=O)O)CC(O)C1(O))C=Cc2ccc(O)c(O)c2","",1,"Chlorogenic Acid(1)","327-97-9(1)","1734","High Reliability","Stereochemistry removed"]
[1428,"CN(C)CCC(c1ccc(Cl)cc1)c2ncccc2\nCN(C)CCC(c1ccc(Cl)cc1)c2ccccn2.OC(=O)C=CC(O)=O\n\n","CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C","n1ccccc1C(c2ccc(cc2)Cl)CCN(C)C","",1,"CHLORPHENIRAMINE(1)","132-22-9(1)","1502","High Reliability","Differences in counterions, Stereochemistry removed"]
[1429,"CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(O)=O\n\n\n","NC(c1ccccc1)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C","O=C(O)C3N2C(=O)C(NC(=O)C(N)c1ccccc1)C2SC3(C)(C)","",1,"AMPICILLIN(1)","69-53-4(1)","267","High Reliability","Stereochemistry removed"]
[1430,"CC1=C(N2C(SC1)C(NC(=O)C(N)C3=CCC=CC3)C2=O)C(O)=O\nO.O.CC1=C(N2C(SC1)C(NC(=O)C(N)C3=CCC=CC3)C2=O)C(O)=O\n\n","O=C(C(C1=CCC=CC1)N)NC1C(=O)N2C1SCC(=C2C(=O)O)C","O=C(O)C3=C(C)CSC2N3(C(=O)C2(NC(=O)C(N)C1=CCC=CC1))","",1,"Cephradine(1)","38821-53-3(1)","4698","High Reliability","Differences in counterions, Stereochemistry removed"]
[1431,"CCN(C1CCCCC1)C(=O)n2nnn(c2=O)-c3ccccc3Cl\n\n\n","CCN(C(=O)n1nnn(c1=O)c1ccccc1Cl)C1CCCCC1","O=C1N(N=NN1c2ccccc2Cl)C(=O)N(CC)C3CCCCC3","",1,"FENTRAZAMIDE(1)","158237-07-1(1)","5733","High Reliability"]
[1432,"C(CNCc1ccccc1)NCc2ccccc2\n\n\n","N(Cc1ccccc1)CCNCc1ccccc1","c1ccc(cc1)CNCCNCc2ccccc2","",1,"1,2-Ethanediamine, N,N'-bis(phenylmethyl)-(1)","140-28-3(1)","1554","High Reliability"]
[1433,"CCCC1C(=O)N2N(C1=O)c3cc(C)ccc3N=C2N(C)C\n\n\n","CCCC1C(=O)n2n(C1=O)c1cc(C)ccc1nc2N(C)C","O=C2N3C(=Nc1ccc(cc1N3(C(=O)C2CCC))C)N(C)C","",1,"Apazone(1)","13539-59-8(1)","3985","High Reliability"]
[1434,"CC(C)(O)CC(C)(O)c1cccc2ccccc12\n\n\n","CC(CC(c1cccc2c1cccc2)(O)C)(O)C","OC(c2cccc1ccccc12)(C)CC(O)(C)C","",1,"2,4-Pentanediol, 2-methyl-4-(1-naphthalenyl)-(1)","38836-20-3(1)","4699","Medium Reliability"]
[1435,"COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1\n\n\n","COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC","O(c1ccc(cc1)Sc2ccc(OP(OC)(OC)=S)cc2)P(OC)(OC)=S","",1,"TEMEPHOS(1)","3383-96-8(1)","3374","Medium Reliability"]
[1436,"CC1CCCCN1CCCOC(=O)c2cc(Cl)c(Cl)cc2\nCC1CCCCN1CCCOC(=O)c2ccc(Cl)c(Cl)c2\n\n","CC1CCCCN1CCCOC(=O)c1ccc(c(c1)Cl)Cl","O=C(OCCCN1CCCCC1C)c2ccc(c(c2)Cl)Cl","",1,"PIPERALIN(1)","3478-94-2(1)","3387","High Reliability"]
[1437,"CN(C)CCN(Cc1ccccc1)c2ncccc2\n[H+].[Cl-].CN(C)CCN(Cc1ccccc1)c2ccccn2\n\n","CN(CCN(c1ccccn1)Cc1ccccc1)C","n1ccccc1N(Cc2ccccc2)CCN(C)C","",1,"Tripelennamine(1)","91-81-6(1)","679","High Reliability","Differences in counterions"]
[1438,"CC(C)NCC(O)COc1c2ccccc2ccc1\nCC(C)NCC(O)COc1cccc2ccccc12\n\n","OC(COc1cccc2c1cccc2)CNC(C)C","OC(COc1cccc2ccccc12)CNC(C)C","",1,"PROPRANOLOL(1)","525-66-6(1)","1988","High Reliability"]
[1439,"CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3\n\n\n","OC(c1ccccc1)C(=O)OC1CC2CCC(C1)N2C","O=C(OC2CC1N(C)C(CC1)C2)C(O)c3ccccc3","",1,"HOMATROPIN(1)","87-00-3(1)","581","High Reliability","Stereochemistry removed"]
[1440,"CCCCCCCCOC(=O)COc1c(Cl)cc(Cl)cc1\nCCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl\n\n","CCCCCCCCOC(=O)COc1ccc(cc1Cl)Cl","O=C(OCCCCCCCC)COc1ccc(cc1Cl)Cl","",1,"2,4-D, OCTYL ESTER(1)","1928-44-5(1)","3034","Medium Reliability"]
[1441,"CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn2cncn2\n\n\n","Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O","OC(Cn1ncnc1)(CCc2ccc(cc2)Cl)C(C)(C)C","",1,"TEBUCONAZOLE(1)","107534-96-3(1)","5532","High Reliability"]
[1442,"CCOC(=O)CN(C(=O)CCl)c1c(CC)cccc1CC\n\n\n","CCOC(=O)CN(c1c(CC)cccc1CC)C(=O)CCl","O=C(OCC)CN(C(=O)CCl)c1c(cccc1CC)CC","",1,"ANTOR(1)","38727-55-8(1)","4693","High Reliability"]
[1443,"CNC(=O)Oc1cc(C)c(N(CC=C)CC=C)c(C)c1\n\n\n","C=CCN(c1c(C)cc(cc1C)OC(=O)NC)CC=C","O=C(Oc1cc(c(c(c1)C)N(CC=C)CC=C)C)NC","",1,"Allyxycarb [BSI:ISO](1)","6392-46-7(1)","3751","Medium Reliability"]
[1444,"CCN(CC)C(=O)n1cnc(n1)S(=O)(=O)c2c(C)cc(C)cc2C\n\n\n","CCN(C(=O)n1cnc(n1)S(=O)(=O)c1c(C)cc(cc1C)C)CC","O=C(n1nc(nc1)S(=O)(=O)c2c(cc(cc2C)C)C)N(CC)CC","",1,"Cafenstrole(1)","125306-83-4(1)","5656","High Reliability"]
[1445,"CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O\n\n\n","CC(=O)OCC1OC(OC(=O)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C","O=C(OCC1OC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1(OC(=O)C))C","",1,"beta-D-glucopyranose, pentaacetate(1)","604-69-3(1)","2378","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1446,"CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C=O\n\n\n","O=CC(C(C(C(OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","O=CC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)COC(=O)C","",1,"D-GLUCOSE, 2,3,4,5,6-PENTAACETATE(1)","3891-59-6(1)","3443","High Reliability","Stereochemistry removed"]
[1447,"CC(C)COC(=O)c1c(cccc1)C(=O)OCC(C)C\nCC(C)COC(=O)c1ccccc1C(=O)OCC(C)C\n\n","CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C","O=C(OCC(C)C)c1ccccc1(C(=O)OCC(C)C)","",1,"DI-ISOBUTYLPHTHALATE(1)","84-69-5(1)","545","High Reliability"]
[1448,"CCCCOC(=O)c1ccccc1C(=O)OCCCC\n\n\n","CCCCOC(=O)c1ccccc1C(=O)OCCCC","O=C(OCCCC)c1ccccc1(C(=O)OCCCC)","",1,"DIBUTYL PHTHALATE(1)","84-74-2(1)","546","High Reliability"]
[1449,"CC(C)N1C(SCN(C1=O)c2ccccc2)=NC(C)(C)C\n\n\n","CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C","O=C2N(c1ccccc1)CSC(=NC(C)(C)C)N2C(C)C","",1,"Buprofezin(1)","69327-76-0(1)","5117","High Reliability"]
[1450,"CCCCCCCCCOC(=O)c1ccc(N)cc1\n\n\n","CCCCCCCCCOC(=O)c1ccc(cc1)N","O=C(OCCCCCCCCC)c1ccc(N)cc1","",1,"BENZOIC ACID, 4-AMINO-, NONYL ESTER(1)","37139-21-2(1)","4641","Medium Reliability"]
[1451,"CCCCCCCCCCOC(=O)c1cnccc1\n\n\n","CCCCCCCCCCOC(=O)c1cccnc1","O=C(OCCCCCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxylic acid, decyl ester(1)","5338-17-0(1)","3588","High Reliability"]
[1452,"CCC(C)N(C(C)CC)C(=O)SCc1ccccc1\n\n\n","CCC(N(C(=O)SCc1ccccc1)C(CC)C)C","O=C(N(C(C)CC)C(C)CC)SCc1ccccc1","",1,"TIOCARBAZIL(1)","36756-79-3(1)","4637","High Reliability"]
[1453,"CCCCCCCCCCc1ccccc1\n\n\n","CCCCCCCCCCc1ccccc1","c1ccc(cc1)CCCCCCCCCC","",1,"1-PHENYLDECANE(1)","104-72-3(1)","956","High Reliability"]
[1454,"CCCCCCCCCCNC(=O)c1cnccc1\n\n\n","CCCCCCCCCCNC(=O)c1cccnc1","O=C(NCCCCCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxamide, N-decyl-(1)","81475-36-7(1)","5268","Medium Reliability"]
[1455,"CCCCCCCCCCCCN1CCCC1=O\n\n\n","CCCCCCCCCCCCN1CCCC1=O","O=C1N(CCC1)CCCCCCCCCCCC","",1,"1-LAURYL-2-PYRROLIDONE(1)","2687-96-9(1)","3274","Medium Reliability"]
[1456,"CCCCCCCCCCCCCCCC(O)=O\n\n\n","CCCCCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCCCC","",1,"PALMITIC ACID(1)","57-10-3(1)","117","High Reliability"]
[1457,"CCCCCCCCCCCCCCCC\n\n\n","CCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCC","",1,"N-HEXADECANE(1)","544-76-3(1)","2111","High Reliability"]
[1458,"CCCCCCCCCCCCCCCCO\n\n\n","CCCCCCCCCCCCCCCCO","OCCCCCCCCCCCCCCCC","",1,"1-HEXADECANOL(1)","36653-82-4(1)","4635","High Reliability"]
[1459,"FC(F)C(F)(F)Oc1c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl\n\n\n","O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)OC(C(F)F)(F)F","O=C(NC(=O)c1c(F)cccc1(F))Nc2cc(c(OC(F)(F)C(F)F)c(c2)Cl)Cl","",1,"HEXAFLUMURON(1)","86479-06-3(1)","5311","High Reliability"]
[1460,"Fc1cc2c(cc1)nc(-n3cncn3)n(c2=O)-c4c(Cl)cc(Cl)cc4\nFc1ccc2nc(-n3cncn3)n(c(=O)c2c1)-c4ccc(Cl)cc4Cl\n\n","Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1","O=C2c4cc(F)ccc4(N=C(n1ncnc1)N2c3ccc(cc3Cl)Cl)","",1,"Fluquinconazole(1)","136426-54-5(1)","5698","High Reliability"]
[1461,"[O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34\n\n\n","[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1","O=[N+]([O-])c4ccc1ccc2cccc3ccc4(c1c23)","",1,"Pyrene, 1-nitro-(1)","5522-43-0(1)","3630","High Reliability"]
[1462,"[O-][N+](=O)c1ccc2-c3ccccc3-c4cccc1c24\n\n\n","[O-][N+](=O)c1ccc2c3c1cccc3c1c2cccc1","O=[N+]([O-])c4ccc3c1ccccc1c2cccc4(c23)","",1,"3-Nitrofluoranthene(1)","892-21-7(1)","2734","High Reliability"]
[1463,"C1c2ccccc2-c3c1cc4ccccc4c3\nC1c2ccccc2-c3cc4ccccc4cc13\n\n","c1ccc2c(c1)c1cc3ccccc3cc1C2","c1ccc2cc4c(cc2(c1))c3ccccc3C4","",2,"11H-BENZO(B)FLUORENE(1), BENZO(B)FLUORENE(1)","243-17-4(1), 30777-19-6(1)","1669, 4514","High Reliability"]
[1464,"C1c2ccccc2-c3ccc4ccccc4c13\n\n\n","c1ccc2c(c1)c1ccc3c(c1C2)cccc3","c1ccc3c(c1)ccc4c2ccccc2Cc34","",2,"11H-BENZO(A)FLUORENE(1), BENZO(A)FLUORENE(1)","238-84-6(1), 30777-18-5(1)","1667, 4513","High Reliability"]
[1465,"OC(c1ccc(Cl)cc1)(c2cncnc2)c3ccccc3Cl\n\n\n","Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O","OC(c1cncnc1)(c2ccc(cc2)Cl)c3ccccc3Cl","",1,"FENARIMOL(1)","60168-88-9(1)","4984","High Reliability"]
[1466,"OC(=O)Cc1c(nc(s1)-c2ccccc2)-c3ccc(Cl)cc3\n\n\n","OC(=O)Cc1sc(nc1c1ccc(cc1)Cl)c1ccccc1","O=C(O)Cc2c(nc(c1ccccc1)s2)c3ccc(cc3)Cl","",1,"FENTIAZAC(1)","18046-21-4(1)","4176","High Reliability"]
[1467,"Clc1ccc(CSC(Cn2cncn2)=Nc3c(Cl)cc(Cl)cc3)cc1\nClc1ccc(CSC(Cn2cncn2)=Nc3ccc(Cl)cc3Cl)cc1\n\n","Clc1ccc(cc1)CSC(=Nc1ccc(cc1Cl)Cl)Cn1cncn1","n1cnn(c1)CC(=Nc2ccc(cc2Cl)Cl)SCc3ccc(cc3)Cl","",1,"Imibenconazole(1)","86598-92-7(1)","5312","High Reliability"]
[1468,"Fc1ccc(cc1)C2(Cn3cncn3)OC2c4c(Cl)cccc4\n\n\n","Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl","Fc1ccc(cc1)C3(OC3(c2ccccc2Cl))(Cn4ncnc4)","",1,"BAS 480F(1)","106325-08-0(1)","5525","High Reliability","Checked on PubChem, Checked on ChemID"]
[1469,"CC(Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C(=O)OCC#C\n\n\n","C#CCOC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C","O=C(OCC#C)C(Oc2ccc(Oc1ncc(cc1(F))Cl)cc2)C","",1,"CLODINAFOP-PROPARGYL(1)","105512-06-9(1)","5492","High Reliability","Stereochemistry removed"]
[1470,"CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(O)=O\n\n\n","OC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C","O=C(O)C(Oc3ccc(Oc1nc2ccc(cc2(nc1))Cl)cc3)C","",1,"Quizalofop(1)","76578-12-6(1)","5229","High Reliability"]
[1471,"OC(=O)c1c(cccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccs3\nOC(=O)c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3sccn3\n\n","O=C(c1ccccc1C(=O)O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1","O=C(O)c3ccccc3(C(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2)","",1,"Phthalylsulfathiazole(1)","85-73-4(1)","562","High Reliability"]
[1472,"ON(C(=O)c1ccccc1)c2cccc3ccccc23\n\n\n","O=C(N(c1cccc2c1cccc2)O)c1ccccc1","O=C(c1ccccc1)N(O)c3cccc2ccccc23","",1,"Benzamide, N-hydroxy-N-1-naphthalenyl-(1)","29556-18-1(1)","4486","Medium Reliability"]
[1473,"Cc1c(F)c(F)c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)c(F)c1F\n\n\n","O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1c(F)c(F)c(c(c1F)F)C","O=C(OCc1c(F)c(F)c(c(F)c1(F))C)C2C(C=C(C(F)(F)F)Cl)C2(C)(C)","",1,"TETRAFLUTHRIN(1)","79538-32-2(1)","5254","Medium Reliability","Stereochemistry removed"]
[1474,"COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(Cl)c(F)cc2\nCOC(=O)C(C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2\n\n","COC(=O)C(N(C(=O)c1ccccc1)c1ccc(c(c1)Cl)F)C","O=C(OC)C(N(C(=O)c1ccccc1)c2ccc(F)c(c2)Cl)C","",2,"FLAMPROP-METHYL(1), Flamprop-M-methyl(1)","52756-25-9(1), 63729-98-6(1)","4863, 5026","High Reliability","Stereochemistry removed"]
[1475,"CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c2ccc(Br)cc2\n\n\n","CC(OC(=O)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)O)C","O=C(OC(C)C)C(O)(c1ccc(cc1)Br)c2ccc(cc2)Br","",1,"ISOPROPYL 4,4'DIBROMOBENZILATE(1)","18181-80-1(1)","4185","High Reliability"]
[1476,"CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N3CCCO3\n\n\n","Clc1cnc(c(c1)Cl)Oc1ccc(cc1)OC(C(=O)N1CCCO1)C","O=C(N1OCCC1)C(Oc3ccc(Oc2ncc(cc2Cl)Cl)cc3)C","",1,"ISOXAPYRIFOP(1)","87757-18-4(1)","5321","High Reliability"]
[1477,"CN(C)CCOC(C)(c1ccccc1)c2ccc(Cl)cc2\nOCCN(Cc1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1)C(=O)C(Cl)Cl\n\n","OCCN(C(=O)C(Cl)Cl)Cc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]","O=C(N(Cc2ccc(Oc1ccc(cc1)[N+](=O)[O-])cc2)CCO)C(Cl)Cl","",1,"chlorphenoxamide(1)","3576-64-5(1)","3400","High Reliability","Name verified in PubChem"]
[1478,"CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2\n\n\n","CC(OC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O)C","O=C(OC(C)C)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl","",1,"ISOPROPYL-4,4'-DICHLOROBENZILATE(1)","5836-10-2(1)","3671","High Reliability"]
[1479,"CC(C)Oc1cc(NC(=O)c2c(cccc2)C(F)(F)F)ccc1\nCC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1\n\n","CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C","O=C(Nc1cccc(OC(C)C)c1)c2ccccc2C(F)(F)F","",1,"Flutolanil(1)","66332-96-5(1)","5063","High Reliability"]
[1480,"CC(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(C)=O)cc1\n\n\n","O=C(Nc1ccc(cc1)C(=O)C)Nc1ccc(cc1)C(=O)C","O=C(Nc1ccc(cc1)C(=O)C)Nc2ccc(cc2)C(=O)C","",1,"Urea, N,N'-bis(4-acetylphenyl)-(1)","20782-48-3(1)","4275","High Reliability"]
[1481,"CC(C)=C1OC(=O)N(C1=O)c2c(F)cc(Cl)c(OC3CCCC3)c2\n\n\n","CC(=C1OC(=O)N(C1=O)c1cc(OC2CCCC2)c(cc1F)Cl)C","O=C1OC(C(=O)N1c3cc(OC2CCCC2)c(cc3(F))Cl)=C(C)C","",1,"PENTOXAZONE(1)","110956-75-7(1)","5559","High Reliability","Checked on PubChem, Checked on ChemID"]
[1482,"CC(C)C1(C)N=C(NC1=O)c2nc3c(cccc3)cc2C(O)=O\nCC(C)C1(C)N=C(NC1=O)c2nc3ccccc3cc2C(O)=O\n\n","CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C","O=C(O)c2cc3ccccc3(nc2(C1=NC(C(=O)N1)(C)C(C)C))","",1,"Imazaquin(1)","81335-37-7(1)","5262","High Reliability"]
[1483,"CN1CCc2cccc-3c2C1Cc4c3c(O)c(O)cc4\nCN1CCc2cccc-3c2C1Cc4ccc(O)c(O)c34\n\n","CN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O","Oc1ccc4c(c1(O))c2cccc3c2C(N(C)CC3)C4","",1,"6A-BETA-APORPHINE-10,11-DIOL(1)","58-00-4(1)","143","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1484,"Cc1cc(ccc1N=Nc2c(Cl)cc(cc2Cl)[N+]([O-])=O)N(CCO)CCO\n\n\n","OCCN(c1ccc(c(c1)C)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO","O=[N+]([O-])c2cc(c(N=Nc1ccc(cc1C)N(CCO)CCO)c(c2)Cl)Cl","",1,"DIS. A. 10(1)","58528-60-2(1)","4959","High Reliability","Checked on PubChem, Checked on ChemID"]
[1485,"OC(=O)c1cn(C2CC2)c3cc(N4CCNCC4)c(F)cc3c1=O\n\n\n","Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1","O=C(O)C1=CN(c2cc(c(F)cc2(C1(=O)))N3CCNCC3)C4CC4","",1,"CIPROFLOXACIN(1)","85721-33-1(1)","5307","High Reliability"]
[1486,"Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC3COC3)n1\nCc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC3COC3)n1\n\n","O=C(NS(=O)(=O)c1ccccc1C(=O)OC1COC1)Nc1nc(C)cc(n1)C","O=C(OC1COC1)c2ccccc2S(=O)(=O)NC(=O)Nc3nc(cc(n3)C)C","",1,"Oxasulfuron(1)","144651-06-9(1)","5714","High Reliability"]
[1487,"CN(C)CCCN1c2c(Sc3c1cc(Cl)cc3)cccc2\nCN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13\n\n","CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C","c1ccc3c(c1)N(c2cc(ccc2S3)Cl)CCCN(C)C","",1,"CHLORPROMAZINE(1)","50-53-3(1)","26","High Reliability"]
[1488,"C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3\n[H+].[Cl-].C1CN=C(CN(Cc2ccccc2)c3ccccc3)N1\n\n","c1ccc(cc1)CN(c1ccccc1)CC1=NCCN1","N1=C(NCC1)CN(c2ccccc2)Cc3ccccc3","",1,"Antazoline(1)","91-75-8(1)","675","High Reliability","Differences in counterions"]
[1489,"CON=C(C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OC\n\n\n","CON=C(c1cccc(c1C(=O)OC)Oc1nc(OC)cc(n1)OC)C","O=C(OC)c2c(Oc1nc(OC)cc(n1)OC)cccc2(C(=NOC)C)","",1,"Pyriminobac-methyl(1)","136191-64-5(1)","5697","High Reliability","Stereochemistry removed"]
[1490,"COc1cc(OC)nc(N=C(O)NS(=O)(=O)Nc2ccccc2C(=O)C3CC3)n1\nCOc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccccc2C(=O)C3CC3)n1\n\n","COc1cc(OC)nc(n1)N=C(NS(=O)(=O)Nc1ccccc1C(=O)C1CC1)O","O=C(c2ccccc2(NS(=O)(=O)NC(O)=Nc1nc(OC)cc(n1)OC))C3CC3","",1,"Cyclosulfamuron(1)","136849-15-5(1)","5699","High Reliability"]
[1491,"CC(C)Oc1cccc(NC(=O)c2c(C)cccc2)c1\nCC(C)Oc1cccc(NC(=O)c2ccccc2C)c1\n\n","CC(Oc1cccc(c1)NC(=O)c1ccccc1C)C","O=C(Nc1cccc(OC(C)C)c1)c2ccccc2C","",1,"MEPRONIL(1)","55814-41-0(1)","4923","High Reliability"]
[1492,"CN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35\nO.O.O.O.O.CN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35.OS(O)(=O)=O\nOS(O)(=O)=O.CN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35.CN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35\nCN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35.OS(O)(=O)=O, C[NH+]1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35.C[NH+]1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35.[O-]S([O-])(=O)=O","OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O","Oc5ccc4c1c5(OC2C(O)C=CC3C(N(C)CCC123)C4)","",2,"MORPHINE(1), MORPHINE SULFATE(1)","57-27-2(1), 64-31-3(1)","123, 228","High Reliability","Differences in counterions, Organic counterion, Stereochemistry removed"]
[1493,"O=C(C=CC=Cc1ccc2OCOc2c1)N3CCCCC3\n\n\n","O=C(N1CCCCC1)C=CC=Cc1ccc2c(c1)OCO2","O=C(C=CC=Cc1ccc2OCOc2(c1))N3CCCCC3","",1,"1-PIPEROYL-(E,E)-PIPERIDINE(1)","94-62-2(1)","727","Medium Reliability","Stereochemistry removed"]
[1494,"COC(=O)C(C)N(C(=O)c1ccco1)c2c(C)cccc2C\n\n\n","COC(=O)C(N(c1c(C)cccc1C)C(=O)c1ccco1)C","O=C(OC)C(N(C(=O)c1occc1)c2c(cccc2C)C)C","",1,"FURALAXYL(1)","57646-30-7(1)","4949","High Reliability"]
[1495,"COc1ccc(cc1)C(C(C)N(=O)=O)c2ccc(OC)cc2\nCOc1ccc(cc1)C(C(C)[N+]([O-])=O)c2ccc(OC)cc2\n\n","COc1ccc(cc1)C(C([N+](=O)[O-])C)c1ccc(cc1)OC","O=[N+]([O-])C(C)C(c1ccc(OC)cc1)c2ccc(OC)cc2","",1,"1,1-BIS(P-MEO-PH)-2-NITROPROPANE(1)","34197-26-7(1)","4582","Medium Reliability"]
[1496,"CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1\n\n\n","CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1","O=C(OCC)NCCOc2ccc(Oc1ccccc1)cc2","",2,"FENOXYCARB(2)","72490-01-8(1), 79127-80-3(1)","5175, 5251","High Reliability"]
[1497,"CC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn3cncn3\n\n\n","OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C","OC2(C(=Cc1ccc(cc1)Cl)CCC2(C)(C))(Cn3ncnc3)","",1,"Triticonazole(1)","131983-72-7(1)","5680","High Reliability","Stereochemistry removed"]
[1498,"Cc1ccc(NC(O)=NC(C)(C)c2ccccc2)cc1\nCc1ccc(NC(=O)NC(C)(C)c2ccccc2)cc1\n\n","Cc1ccc(cc1)NC(=NC(c1ccccc1)(C)C)O","OC(=NC(c1ccccc1)(C)C)Nc2ccc(cc2)C","",1,"Daimuron(1)","42609-52-9(1)","4763","High Reliability"]
[1499,"CN(C(O)=NC(C)(C)c1ccccc1)c2ccccc2\nCN(C(=O)NC(C)(C)c1ccccc1)c2ccc(C)cc2\nCN(C(=O)NC(C)(C)c1ccccc1)c2ccccc2\n","CN(C(=NC(c1ccccc1)(C)C)O)c1ccccc1","OC(=NC(c1ccccc1)(C)C)N(c2ccccc2)C","",1,"methyldymron(1)","42609-73-4(1)","4764","High Reliability","Name verified in PubChem"]
[1500,"CC(CN1c2c(Sc3c1cccc3)cccc2)N(C)C\nCC(CN1c2ccccc2Sc3ccccc13)N(C)C\n\n","CN(C(CN1c2ccccc2Sc2c1cccc2)C)C","c1ccc3c(c1)N(c2ccccc2S3)CC(N(C)C)C","",1,"PROMETHAZINE(1)","60-87-7(1)","195","High Reliability"]
[1501,"CN(C)CCCN1c2ccccc2Sc3c1cccc3\nCN(C)CCCN1c2ccccc2Sc3ccccc13\n\n","CN(CCCN1c2ccccc2Sc2c1cccc2)C","c1ccc3c(c1)N(c2ccccc2S3)CCCN(C)C","",1,"PROMAZINE(1)","58-40-2(1)","152","High Reliability"]
[1502,"Cc1cc2c(cc1C)n(CC(O)C(O)C(O)CO)c-3nc(=O)[nH]c(=O)c3n2\nCc1cc2nc-3c(=O)[nH]c(=O)nc3n(CC(O)C(O)C(O)CO)c2cc1C\n\n","OCC(C(C(Cn1c2cc(C)c(cc2nc2c1nc(=O)[nH]c2=O)C)O)O)O","O=C3N=C2C(=Nc1cc(c(cc1N2CC(O)C(O)C(O)CO)C)C)C(=O)N3","",1,"RIBOFLAVIN(1)","83-88-5(1)","532","High Reliability","Stereochemistry removed"]
[1503,"CC(C)CC(c1ccc(O)cc1)c2ccc(O)cc2\n\n\n","CC(CC(c1ccc(cc1)O)c1ccc(cc1)O)C","Oc1ccc(cc1)C(c2ccc(O)cc2)CC(C)C","",1,"Phenol, 4,4'-(3-methylbutylidene)bis-(1)","2081-32-5(1)","3091","Medium Reliability"]
[1504,"CC1C(SC(=O)N1C(=O)NC2CCCCC2)c3ccc(Cl)cc3\n\n\n","CC1N(C(=O)NC2CCCCC2)C(=O)SC1c1ccc(cc1)Cl","O=C(NC1CCCCC1)N3C(=O)SC(c2ccc(cc2)Cl)C3C","",1,"Hexythiazox(1)","78587-05-0(1)","5249","High Reliability","Stereochemistry removed"]
[1505,"Cc1cc(ccc1N=Nc2ccccc2)N(CCO)CCO\n\n\n","OCCN(c1ccc(c(c1)C)N=Nc1ccccc1)CCO","OCCN(c2ccc(N=Nc1ccccc1)c(c2)C)CCO","",1,"DIS. A. 2(1)","3771-38-8(1)","3432","Medium Reliability","Checked on ChemID"]
[1506,"CN(C)CCOC(c1ccccc1)c2ccccc2\n\n\n","CN(CCOC(c1ccccc1)c1ccccc1)C","O(CCN(C)C)C(c1ccccc1)c2ccccc2","",1,"DIPHENHYDRAMINE(1)","58-73-1(1)","156","High Reliability"]
[1507,"CCN(CC)C(=O)C(C)Oc1c2ccccc2ccc1\nCCN(CC)C(=O)C(C)Oc1cccc2ccccc12\n\n","CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC","O=C(N(CC)CC)C(Oc1cccc2ccccc12)C","",1,"N,N-DIETHYL-2-(1-NAPHTHALENYLOXY)PROPANAMIDE(1)","15299-99-7(1)","4063","High Reliability"]
[1508,"COC(=O)C1C2CCC(CC1OC(=O)c3ccccc3)N2C\n\n\n","COC(=O)C1C(CC2N(C1CC2)C)OC(=O)c1ccccc1","O=C(OC2CC1N(C)C(CC1)C2(C(=O)OC))c3ccccc3","",1,"COCAINE(1)","50-36-2(1)","21","Medium Reliability","Stereochemistry removed"]
[1509,"CN1C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4\n\n\n","OCC(c1ccccc1)C(=O)OC1CC2N(C(C1)C1C2O1)C","O=C(OC1CC3N(C)C(C1)C2OC23)C(c4ccccc4)CO","",1,"SCOPOLAMINE(1)","51-34-3(1)","43","High Reliability","Stereochemistry removed"]
[1510,"CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c2ccccc2\n\n\n","CN(C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1)C","O=S(=O)(c1ccccc1)SCC(N(C)C)CSS(=O)(=O)c2ccccc2","",1,"BENSULTAP(1)","17606-31-4(1)","4161","High Reliability"]
[1511,"CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)Cn3cncn3\n\n\n","OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl","OC3(Cn1ncnc1)(C(Cc2ccc(cc2)Cl)CCC3(C)(C))","",1,"METCONAZOLE(1)","125116-23-6(1)","5654","High Reliability"]
[1512,"CC(O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I\n\n\n","OCC(NC(=O)c1c(I)c(C(=O)NC(CO)CO)c(c(c1I)NC(=O)C(O)C)I)CO","O=C(NC(CO)CO)c1c(c(NC(=O)C(O)C)c(c(C(=O)NC(CO)CO)c1I)I)I","",1,"Iopamidol(1)","60166-93-0(1)","4983","High Reliability","Stereochemistry removed"]
[1513,"CC(C)=CC1C(C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C\n\n\n","C#CCN1CC(=O)N(C1=O)COC(=O)C1C(C1(C)C)C=C(C)C","O=C(OCN1C(=O)N(CC#C)CC1(=O))C2C(C=C(C)C)C2(C)(C)","",1,"Imiprothrin(1)","72963-72-5(1)","5180","High Reliability"]
[1514,"CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3\n\n\n","OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)N2C","O=C(OC2CC1N(C)C(CC1)C2)C(c3ccccc3)CO","",2,"ATROPINE(1), Hyoscyamine(1)","51-55-8(1), 101-31-5(1)","50, 908","High Reliability","Stereochemistry removed"]
[1515,"CCc1cccc(CC)c1N(COCC=CC)C(=O)CCl\n\n\n","CC=CCOCN(c1c(CC)cccc1CC)C(=O)CCl","O=C(N(c1c(cccc1CC)CC)COCC=CC)CCl","",1,"Butenachlor(1)","87310-56-3(1)","5318","High Reliability","Stereochemistry removed"]
[1516,"CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC\n\n\n","CCOC(=O)CCN(SN(C(=O)ON=C(SC)C)C)Cc1ccccc1","O=C(ON=C(C)SC)N(C)SN(Cc1ccccc1)CCC(=O)OCC","",1,"ALANYCARB(1)","83130-01-2(1)","5287","Medium Reliability","Stereochemistry removed"]
[1517,"NC(C(O)C(O)COC(N)=O)C(=O)NC(C1OC(C(O)C1O)n2cc(CO)c(=O)[nH]c2=O)C(O)=O\n\n\n","OCc1cn(c(=O)[nH]c1=O)C1OC(C(C1O)O)C(C(=O)O)NC(=O)C(C(C(COC(=O)N)O)O)N","O=C(OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C2OC(N1C=C(C(=O)NC1(=O))CO)C(O)C2(O))N","",1,"Polyoxin B(1)","19396-06-6(1)","4224","High Reliability","Stereochemistry removed"]
[1518,"CCCCN(CCCC)C(=O)COC(=O)c1ccccc1\n\n\n","CCCCN(C(=O)COC(=O)c1ccccc1)CCCC","O=C(OCC(=O)N(CCCC)CCCC)c1ccccc1","",1,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-DIBUTYL-(1)","106231-57-6(1)","5509","Medium Reliability"]
[1519,"CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC\n\n\n","CCCOCCN(c1c(CC)cccc1CC)C(=O)CCl","O=C(N(c1c(cccc1CC)CC)CCOCCC)CCl","",1,"PRETILCHLOR(1)","51218-49-6(1)","4805","Medium Reliability"]
[1520,"CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC\n\n\n","CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl","O=C(N(c1c(cccc1CC)CC)COCCCC)CCl","",1,"BUTACHLOR(1)","23184-66-9(1)","4339","High Reliability"]
[1521,"CNC(=O)Oc1c(cc(C)cc1C(C)(C)C)C(C)(C)C\n\n\n","CNC(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C","O=C(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)NC","",1,"2,6-DI-T-BUTYL-P-TOLYL METHYLCARBAMATE(1)","1918-11-2(1)","3027","High Reliability"]
[1522,"Cl.CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC\nCCCCOc1ccc(cc1)C(=O)OCCN(CC)CC\n[H+].[Cl-].CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC\n","CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC","O=C(OCCN(CC)CC)c1ccc(OCCCC)cc1","",1,"4-Butoxybenzoic acid 2-(diethylamino)ethyl ester(1)","2350-32-5(1)","3173","Medium Reliability","Differences in counterions"]
[1523,"CCCC(=NOCC)C1=C(O)CC(CC1=O)C2CCCSC2\n\n\n","CCON=C(C1=C(O)CC(CC1=O)C1CCCSC1)CCC","O=C1C(=C(O)CC(C1)C2CCCSC2)C(=NOCC)CCC","",1,"Cycloxydim(1)","101205-02-1(1)","5459","High Reliability","Checked on PubChem, Checked on ChemID"]
[1524,"CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2\n\n\n","OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C","OC(COc1cccc2c1CC(O)C(O)C2)CNC(C)(C)C","",1,"NADOLOL(1)","42200-33-9(1)","4757","High Reliability","Stereochemistry removed"]
[1525,"CCCCCCCCCCCc1ccccc1\n\n\n","CCCCCCCCCCCc1ccccc1","c1ccc(cc1)CCCCCCCCCCC","",1,"BENZENE, C10-13-ALKYL DERIVS.(1)","67774-74-7(1)","5088","High Reliability","Checked on PubChem, Checked on ChemID"]
[1526,"CCCCCCCCCCCN=C(O)c1cnccc1\nCCCCCCCCCCCNC(=O)c1cccnc1\n\n","CCCCCCCCCCCN=C(c1cccnc1)O","OC(=NCCCCCCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxamide, N-undecyl-(1)","81475-37-8(1)","5269","Medium Reliability"]
[1527,"CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C\n\n\n","CCOC(=O)C=C(C=CCC(CCCC(C)C)C)C","O=C(OCC)C=C(C=CCC(C)CCCC(C)C)C","",2,"Hydroprene(1), HYDROPRENE(1)","41096-46-2(1), 41205-09-8(1)","4737, 4739","High Reliability","Stereochemistry removed"]
[1528,"CCCCCCCCCCCCN1CC(CC1=O)C(O)=O\n\n\n","CCCCCCCCCCCCN1CC(CC1=O)C(=O)O","O=C(O)C1CC(=O)N(CCCCCCCCCCCC)C1","",1,"1-LAURYL-4-CARBOXY-2-PYRROLIDONE(1)","10054-21-4(1)","3897","High Reliability","Checked on PubChem, Checked on ChemID"]
[1529,"CC1CC(C)(C)CC(C1)(OOC(C)(C)C)OOC(C)(C)C\n\n\n","CC1CC(C)(C)CC(C1)(OOC(C)(C)C)OOC(C)(C)C","O(OC1(OOC(C)(C)C)(CC(C)CC(C)(C)C1))C(C)(C)C","",1,"Di-tert-butylperoxy-3,3,5-trimethylcyclohexane p(1)","6731-36-8(1)","3774","Medium Reliability"]
[1530,"CCCCCCCCCCCCCCN=C(O)C(C)O\nCCCCCCCCCCCCCCNC(=O)C(C)O\n\n","CCCCCCCCCCCCCCN=C(C(O)C)O","OC(=NCCCCCCCCCCCCCC)C(O)C","",1,"Propanamide, 2-hydroxy-N-tetradecyl-(1)","96945-44-7(1)","5406","Medium Reliability"]
[1531,"NCCCCCCNCCCCCCCCCCC(O)=O\n\n\n","NCCCCCCNCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCNCCCCCCN","",1,"Undecanoic acid, 11-[(6-aminohexyl)amino]-(1)","101791-68-8(1)","5467","Medium Reliability"]
[1532,"CCCCCCCCCCCCCCCCCO\n\n\n","CCCCCCCCCCCCCCCCCO","OCCCCCCCCCCCCCCCCC","",1,"HEPTADECYL ALCOHOL(1)","1454-85-9(1)","2905","High Reliability"]
[1533,"FC(OC(F)(F)F)C(F)(F)Oc1c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)cc1\n\n\n","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Cl)OC(C(OC(F)(F)F)F)(F)F","O=C(NC(=O)c1c(F)cccc1(F))Nc2ccc(OC(F)(F)C(F)OC(F)(F)F)c(c2)Cl","",1,"Novaluron(1)","116714-46-6(1)","5609","High Reliability"]
[1534,"c1cc2cc3cc4ccccc4cc3cc2cc1\n\n\n","c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2","c1ccc2cc3cc4ccccc4(cc3(cc2(c1)))","",1,"TETRACENE(1)","92-24-0(1)","683","High Reliability"]
[1535,"c1cc2c(cc1)cc3c(ccc4c3cccc4)c2\nc1ccc2cc3c(ccc4ccccc34)cc2c1\n\n","c1ccc2c(c1)cc1c(c2)ccc2c1cccc2","c3ccc4cc2c(ccc1ccccc12)cc4(c3)","",1,"BENZ(A)ANTHRACENE(1)","56-55-3(1)","102","High Reliability"]
[1536,"c1ccc2c(c1)c3ccccc3c4ccccc24\n\n\n","c1ccc2c(c1)c1ccccc1c1c2cccc1","c1ccc3c(c1)c2ccccc2c4ccccc34","",1,"TRIPHENYLENE(1)","217-59-4(1)","1657","High Reliability"]
[1537,"c1cc2c(cc1)c3c(cc2)c4c(cccc4)cc3\nc1ccc2c(c1)ccc3c4ccccc4ccc23\n\n","c1ccc2c(c1)c1ccc3c(c1cc2)cccc3","c1ccc2c(c1)ccc3c4ccccc4(ccc23)","",1,"CHRYSENE(1)","218-01-9(1)","1658","High Reliability"]
[1538,"c1ccc2c(ccc3c2c4ccccc4cc3)c1\nc1ccc2c(c1)ccc3ccc4ccccc4c23\n\n","c1ccc2c(c1)ccc1c2c2ccccc2cc1","c1ccc4c(c1)ccc3ccc2ccccc2c34","",1,"BENZO(C)PHENANTHRENE(1)","195-19-7(1)","1646","High Reliability"]
[1539,"ClC1=C(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C2(Cl)Cl)C5(Cl)C(Cl)=C(Cl)C4(Cl)C5(Cl)Cl\nClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl\n\n","ClC1=C(Cl)C2(C(C1(Cl)C1C2CCC2C(CC1)C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl","C2(=C(C3(C1CCC4C(CCC1C2(C3(Cl)Cl)Cl)C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"dechloraneplus(1)","13560-89-9(1)","3990","High Reliability","Name verified in PubChem"]
[1540,"c1cc2ccc(nc2cc1)-c3ccc4ccccc4n3\nc1ccc2nc(ccc2c1)-c3ccc4ccccc4n3\n\n","c1ccc2c(c1)nc(cc2)c1ccc2c(n1)cccc2","n1c(ccc2ccccc12)c3nc4ccccc4(cc3)","",1,"2,2'-BIQUINOLINE(1)","119-91-5(1)","1348","High Reliability"]
[1541,"Oc1ncnc2c1nc(-c3ccccc3)c(n2)-c4ccccc4\nO=c1nc[nH]c2nc(-c3ccccc3)c(nc12)-c4ccccc4\n\n","Oc1ncnc2c1nc(c1ccccc1)c(n2)c1ccccc1","Oc1ncnc2nc(c(nc12)c3ccccc3)c4ccccc4","",1,"4(1H)-Pteridinone, 6,7-diphenyl-(1)","24863-39-6(1)","4368","Medium Reliability"]
[1542,"Nc1cc2c(ccc3ccccc23)c4ccccc14\nNc1cc2c3ccccc3ccc2c4ccccc14\n\n","Nc1cc2c(c3c1cccc3)ccc1c2cccc1","Nc1cc3c4ccccc4(ccc3(c2ccccc12))","",1,"6-AMINOCHRYSENE(1)","2642-98-0(1)","3269","Medium Reliability"]
[1543,"c1ccc(cc1)-c2ccc(cc2)-c3ccccc3\n\n\n","c1ccc(cc1)c1ccc(cc1)c1ccccc1","c1ccc(cc1)c2ccc(cc2)c3ccccc3","",1,"1,1':4',1''-TERPHENYL(1)","92-94-4(1)","695","High Reliability"]
[1544,"c1ccc(cc1)-c2cc(ccc2)-c3ccccc3\n\n\n","c1cc(cc(c1)c1ccccc1)c1ccccc1","c1ccc(cc1)c2cccc(c2)c3ccccc3","",1,"m-TERPHENYL(1)","92-06-8(1)","682","High Reliability"]
[1545,"c1ccc(cc1)-c2ccccc2-c3ccccc3\n\n\n","c1ccc(cc1)c1ccccc1c1ccccc1","c1ccc(cc1)c3ccccc3(c2ccccc2)","",1,"O-TERPHENYL(1)","84-15-1(1)","535","High Reliability"]
[1546,"CNC1=C(C(=O)C(O1)c2ccccc2)c3cc(ccc3)C(F)(F)F\n\n\n","CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1","O=C2C(c1cccc(c1)C(F)(F)F)=C(OC2c3ccccc3)NC","",1,"FLURTAMONE(1)","96525-23-4(1)","5405","High Reliability"]
[1547,"[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(Nc3ccccc3)cc2\n\n\n","[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(cc1)Nc1ccccc1","O=[N+]([O-])c3ccc(N=Nc1ccc(cc1)Nc2ccccc2)cc3","",1,"C.I. DISPERSE ORANGE 1(1)","2581-69-3(1)","3242","Medium Reliability"]
[1548,"O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3\n\n\n","O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3","",1,"TRIPHENYLPHOSPHATE(1)","115-86-6(1)","1289","High Reliability"]
[1549,"CCOC(=O)C(C)Oc1ccc(Oc2nc3c(o2)cc(Cl)cc3)cc1\nCCOC(=O)C(C)Oc1ccc(Oc2oc3cc(Cl)ccc3n2)cc1\n\n","CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C","O=C(OCC)C(Oc3ccc(Oc1nc2ccc(cc2(o1))Cl)cc3)C","",3,"Fenoxaprop ethyl(1), Fenoxaprop-ethyl(1), FENOXAPROP-ETHYL(1)","66441-23-4(1), 71283-80-2(1), 82110-72-3(1)","5066, 5161, 5274","High Reliability","Stereochemistry removed"]
[1550,"CCOC(=O)C(C)N(C(=O)c1ccccc1)c2cc(Cl)c(Cl)cc2\nCCOC(=O)C(C)N(C(=O)c1ccccc1)c2ccc(Cl)c(Cl)c2\n\n","CCOC(=O)C(N(C(=O)c1ccccc1)c1ccc(c(c1)Cl)Cl)C","O=C(OCC)C(N(C(=O)c1ccccc1)c2ccc(c(c2)Cl)Cl)C","",1,"BENZOYLPROP ETHYL(1)","22212-55-1(1)","4313","High Reliability"]
[1551,"OCCOCCOC(=O)c1c(Nc2cccc(c2)C(F)(F)F)cccc1\nOCCOCCOC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F\n\n","OCCOCCOC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F","O=C(OCCOCCO)c2ccccc2(Nc1cccc(c1)C(F)(F)F)","",1,"Etofenamate(1)","30544-47-9(1)","4508","High Reliability"]
[1552,"CC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O\n\n\n","Oc1ccc2c(c1)ccc1c2CCC2(C1CCC2=O)C","O=C3CCC4c2ccc1cc(O)ccc1c2CCC34(C)","",1,"Equilenin(1)","517-09-9(1)","1974","High Reliability","Stereochemistry removed"]
[1553,"CC=C(C(=CC)c1ccc(O)cc1)c2ccc(O)cc2\n\n\n","CC=C(C(=CC)c1ccc(cc1)O)c1ccc(cc1)O","Oc1ccc(cc1)C(=CC)C(=CC)c2ccc(O)cc2","",1,"Dienestrol(1)","84-17-3(1)","537","High Reliability","Stereochemistry removed"]
[1554,"CCCCOC(=O)C1(O)c2c(cccc2)-c3c1cccc3\nCCCCOC(=O)C1(O)c2ccccc2-c3ccccc13\n\n","CCCCOC(=O)C1(O)c2ccccc2c2c1cccc2","O=C(OCCCC)C2(O)(c3ccccc3(c1ccccc12))","",1,"Flurenol-butyl(1)","2314-09-2(1)","3168","High Reliability"]
[1555,"OC(=O)CCCC(C(O)=O)(c1ccccc1)c2ccccc2\n\n\n","OC(=O)C(c1ccccc1)(c1ccccc1)CCCC(=O)O","O=C(O)CCCC(C(=O)O)(c1ccccc1)c2ccccc2","",1,"Hexanedioic acid, 2,2-diphenyl-(1)","103387-44-6(1)","5481","Medium Reliability"]
[1556,"CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c2ccccc2\n\n\n","Clc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1ccccc1","O=C(NN(C(=O)c1ccccc1)C(C)(C)C)c2ccc(cc2)Cl","",1,"HALOFENOZIDE(1)","112226-61-6(1)","5571","High Reliability"]
[1557,"CON=C(C(=O)OC)c1c(COc2c(C)cccc2)cccc1\nCON=C(C(=O)OC)c1ccccc1COc2ccccc2C\n\n","CON=C(c1ccccc1COc1ccccc1C)C(=O)OC","O=C(OC)C(=NOC)c1ccccc1COc2ccccc2C","",1,"BAS 490F(1)","143390-89-0(1)","5713","Medium Reliability","Stereochemistry removed"]
[1558,"CC12CCC3C(=CCc4c3ccc(O)c4)C1CCC2=O\nCC12CCC3C(=CCc4cc(O)ccc34)C1CCC2=O\n\n","Oc1ccc2c(c1)CC=C1C2CCC2(C1CCC2=O)C","O=C3CCC4C2=CCc1cc(O)ccc1C2CCC34(C)","",1,"Equilin(1)","474-86-2(1)","1836","High Reliability","Stereochemistry removed"]
[1559,"CCC(=C(CC)c1ccc(O)cc1)c2ccc(O)cc2\n\n\n","CCC(=C(c1ccc(cc1)O)CC)c1ccc(cc1)O","Oc1ccc(cc1)C(=C(c2ccc(O)cc2)CC)CC","",1,"DES(1)","56-53-1(1)","100","High Reliability","Stereochemistry removed"]
[1560,"CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1\n\n\n","CCC1OCC(O1)COc1ccc(cc1)Oc1ccccc1","O(c1ccccc1)c3ccc(OCC2OC(OC2)CC)cc3","",1,"DIOFENOLAN(1)","63837-33-2(1)","5028","High Reliability","Stereochemistry removed"]
[1561,"COc1c(O)c2c(CC3C4C=CC(=O)CC24CCN3C)cc1\n\n\n","COc1ccc2c(c1O)C13CCN(C(C2)C3C=CC(=O)C1)C","O=C3C=CC4C2N(C)CCC4(c1c(O)c(OC)ccc1C2)(C3)","",1,"Thebainone(1)","467-98-1(1)","1821","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1562,"COc1c2OC3C(O)C=CC4C5Cc(cc1)c2C34CCN5C\nCOc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C\n\n","COc1ccc2c3c1OC1C43CCN(C(C2)C4C=CC1O)C","OC1C=CC5C4N(C)CCC25(c3c(OC12)c(OC)ccc3C4)","",1,"CODEINE(1)","76-57-3(1)","400","High Reliability","Stereochemistry removed"]
[1563,"CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12\n\n\n","CCCCCC(OC(=O)COc1ccc(c2c1nccc2)Cl)C","O=C(OC(C)CCCCC)COc1ccc(c2cccnc12)Cl","",1,"Cloquintocet-mexyl(1)","99607-70-2(1)","5442","High Reliability"]
[1564,"CN(C(C)=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)NC2C(O)OC(CO)C(O)C2O)c1I\n\n\n","OCC1OC(O)C(C(C1O)O)NC(=O)c1c(I)c(NC(=O)C)c(c(c1I)N(C(=O)C)C)I","O=C(NC1C(O)OC(CO)C(O)C1(O))c2c(c(NC(=O)C)c(c(c2I)N(C(=O)C)C)I)I","",1,"METRIZAMIDE(1)","31112-62-6(1)","4520","High Reliability","Stereochemistry removed"]
[1565,"CN1CCN(CC1)C(c2ccccc2)c3ccccc3\n\n\n","CN1CCN(CC1)C(c1ccccc1)c1ccccc1","c1ccc(cc1)C(c2ccccc2)N3CCN(C)CC3","",1,"CYCLIZINE(1)","82-92-8(1)","518","High Reliability"]
[1566,"CNCCCN1c2c(CCc3c1cccc3)cccc2\nCNCCCN1c2ccccc2CCc3ccccc13\n\n","CNCCCN1c2ccccc2CCc2c1cccc2","c1ccc3c(c1)N(c2ccccc2CC3)CCCNC","",1,"DESIPRAMINE(1)","50-47-5(1)","23","High Reliability"]
[1567,"COc1cccc(n1)N(C)C(=S)Oc2cccc(c2)C(C)(C)C\n\n\n","COc1cccc(n1)N(C(=S)Oc1cccc(c1)C(C)(C)C)C","n1c(OC)cccc1N(C(Oc2cccc(c2)C(C)(C)C)=S)C","",1,"Pyributicarb(1)","88678-67-5(1)","5330","High Reliability"]
[1568,"CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2\n\n\n","CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C","O(OC(c1ccccc1)(C)C)C(c2ccccc2)(C)C","",1,"PEROXIDE, BIS(1-METHYL-1-PHENYLETHYL)(1)","80-43-3(1)","492","High Reliability"]
[1569,"CC12CCC3C(CCc4c3ccc(O)c4)C1CCC2=O\nCC12CCC3C(CCc4cc(O)ccc34)C1CCC2=O\n\n","Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2=O)C","O=C2CCC3C4CCc1cc(O)ccc1C4(CCC23(C))","",1,"ESTRONE(1)","53-16-7(1)","69","High Reliability","Stereochemistry removed"]
[1570,"CCC(C(CC)c1ccc(O)cc1)c2ccc(O)cc2\n\n\n","CCC(C(c1ccc(cc1)O)CC)c1ccc(cc1)O","Oc1ccc(cc1)C(CC)C(c2ccc(O)cc2)CC","",1,"Hexestrol(1)","84-16-2(1)","536","High Reliability","Stereochemistry removed"]
[1571,"CCC(N(Cc1ccco1)C(=O)n2ccnc2)C(=O)OCCCC=C\n\n\n","C=CCCCOC(=O)C(N(C(=O)n1cncc1)Cc1ccco1)CC","O=C(OCCCC=C)C(N(C(=O)n1cncc1)Cc2occc2)CC","",1,"Pefurazoate(1)","101903-30-4(1)","5469","High Reliability"]
[1572,"CC(C)C1CCC(Cc2ccc(Cl)cc2)C1(O)Cn3cncn3\n\n\n","CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C","OC3(Cn1ncnc1)(C(Cc2ccc(cc2)Cl)CCC3(C(C)C))","",1,"IPCONAZOLE(1)","125225-28-7(1)","5655","Medium Reliability"]
[1573,"CCc1nn(C)c(C(=O)NCc2ccc(cc2)C(C)(C)C)c1Cl\n\n\n","CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C","O=C(NCc1ccc(cc1)C(C)(C)C)c2c(c(nn2C)CC)Cl","",1,"Tebufenpyrad(1)","119168-77-3(1)","5632","High Reliability"]
[1574,"CCC(C)(CC)c1noc(NC(=O)c2c(OC)cccc2OC)c1\n\n\n","CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C","O=C(Nc1onc(c1)C(C)(CC)CC)c2c(OC)cccc2(OC)","",1,"Isoxaben(1)","82558-50-7(1)","5279","High Reliability"]
[1575,"[H]C12CCC(O)C1(C)CCC3([H])c4ccc(O)cc4CCC23[H]\nCC12CCC3C(CCc4cc(O)ccc34)C1CCC2O\nCC12CCC3C(CCc4c3ccc(O)c4)C1CCC2O\nCC12CCC3C(CCc4cc(O)ccc34)C1CCC2O","Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2O)C","Oc1ccc2c(c1)CCC3C2CCC4(C)(C(O)CCC34)","",2,"ESTRADIOL(1), a-Estradiol(1)","50-28-2(1), 57-91-0(1)","14, 141","High Reliability","Stereochemistry removed"]
[1576,"CCCCOC(=O)N(C)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2\n\n\n","CCCCOC(=O)N(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)C","O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)OCCCC)C","",1,"FURATHIOCARB(1)","65907-30-4(1)","5055","High Reliability"]
[1577,"CC1CC(C)(C)c2c(cc(C)c(c2)C(C)=O)C1(C)C\nCC1CC(C)(C)c2cc(C(C)=O)c(C)cc2C1(C)C\n\n","CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C","O=C(c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C)C","",1,"Tonalid(1)","21145-77-7(1)","4289","High Reliability"]
[1578,"CC1C(C)(C)c2cc3c(cc2C1(C)C)C(C)COC3\nCC1COCc2cc3c(cc12)C(C)(C)C(C)C3(C)C\n\n","CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C","O2Cc1cc3c(cc1C(C)C2)C(C)(C)C(C)C3(C)C","",1,"Galaxolide(1)","1222-05-5(1)","2878","High Reliability"]
[1579,"CC(C)C12CCC(C)(O1)C(C2)OCc3c(C)cccc3\nCC(C)C12CCC(C)(O1)C(C2)OCc3ccccc3C\n\n","CC(C12CCC(O2)(C(C1)OCc1ccccc1C)C)C","O(Cc1ccccc1C)C3CC2(OC3(C)(CC2))C(C)C","",1,"CINMETHYLIN(1)","87818-31-3(1)","5322","High Reliability","Stereochemistry removed"]
[1580,"CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O\n\n\n","O=C1CCC2C(=C1)CCC1C2CCC2(C1CCC2O)C","O=C4C=C3CCC1C(CCC2(C)(C(O)CCC12))C3CC4","",1,"NANDROLONE(1)","434-22-0(1)","1781","High Reliability","Stereochemistry removed"]
[1581,"CCC=C(C)C(OC(=O)C1C(C=C(C)C)C1(C)C)C#C\n\n\n","CCC=C(C(OC(=O)C1C(C1(C)C)C=C(C)C)C#C)C","O=C(OC(C#C)C(=CCC)C)C1C(C=C(C)C)C1(C)(C)","",1,"EMPENTHRIN(1)","54406-48-3(1)","4890","High Reliability","Stereochemistry removed"]
[1582,"CCC(COC(=O)C(C)=C)(COC(=O)C(C)=C)COC(=O)C(C)=C\nCCC(CO)(CO)CO.CC(=C)C(O)=O.CC(=C)C(O)=O.CC(=C)C(O)=O\n\n","CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C","O=C(OCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)CC)C(=C)C","",1,"trimethylolpropanetrimethacrylate(1)","3290-92-4(1)","3363","High Reliability","Name verified in PubChem"]
[1583,"CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C\n\n\n","CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C","O=C(Nc1c(cccc1C)C)C2N(CCCC)CCCC2","",1,"BUPIVACAINE(1)","2180-92-9(1)","3119","High Reliability"]
[1584,"CC(C)CCCC(C)CC=CC(C)=CC(=O)OCC#C\n\n\n","C#CCOC(=O)C=C(C=CCC(CCCC(C)C)C)C","O=C(OCC#C)C=C(C=CCC(C)CCCC(C)C)C","",1,"Kinoprene(1)","42588-37-4(1)","4762","High Reliability","Stereochemistry removed"]
[1585,"CC(C)(C)NCC(O)COc1ccccc1C2CCCC2\n\n\n","OC(COc1ccccc1C1CCCC1)CNC(C)(C)C","OC(COc1ccccc1C2CCCC2)CNC(C)(C)C","",1,"PENBUTOLOL(1)","38363-40-5(1)","4666","High Reliability","Stereochemistry removed"]
[1586,"CCCCCCCCCCCCNC(=O)c1cnccc1\n\n\n","CCCCCCCCCCCCNC(=O)c1cccnc1","O=C(NCCCCCCCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxamide, N-dodecyl-(1)","81475-38-9(1)","5270","High Reliability"]
[1587,"CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C\n\n\n","Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C","Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C","",1,"2,4,6-TRI(TERT-BUTYL)PHENOL(1)","732-26-3(1)","2663","High Reliability"]
[1588,"OCC1OC(CO)(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O\n\n\n","OCC1OC(C(C1O)O)(CO)OC1OC(COC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)O","OCC3OC(OCC2OC(OC1(OC(CO)C(O)C1(O))(CO))C(O)C(O)C2(O))C(O)C(O)C3(O)","",1,"RAFFINOSE(1)","512-69-6(1)","1954","High Reliability","Stereochemistry removed"]
[1589,"CCCCCCCCCCCCN1CC(CC1=O)C(=O)OC\n\n\n","CCCCCCCCCCCCN1CC(CC1=O)C(=O)OC","O=C(OC)C1CC(=O)N(CCCCCCCCCCCC)C1","",1,"1-LAURYL-4-METHOXYCARBONYL-2-PYRROLIDONE(1)","101881-19-0(1)","5468","Medium Reliability"]
[1590,"CCCCOC(=O)CCCCCCCCC(=O)OCCCC\n\n\n","CCCCOC(=O)CCCCCCCCC(=O)OCCCC","O=C(OCCCC)CCCCCCCCC(=O)OCCCC","",1,"DIBUTYL SEBACATE(1)","109-43-3(1)","1126","High Reliability"]
[1591,"CCOCCOC(=O)CCCCCCCCC(=O)OCCOCC\n\n\n","CCOCCOC(=O)CCCCCCCCC(=O)OCCOCC","O=C(OCCOCC)CCCCCCCCC(=O)OCCOCC","",1,"Decanedioic acid, bis(2-ethoxyethyl) ester(1)","624-10-2(1)","2501","High Reliability"]
[1592,"CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC\nCCC(CC)C(O)=O.CCC(CC)C(O)=O.OCCOCCOCCO\n\n","CCC(C(=O)OCCOCCOCCOC(=O)C(CC)CC)CC","O=C(OCCOCCOCCOC(=O)C(CC)CC)C(CC)CC","",1,"triethyleneglycolbis(2-ethylbutyrate)(1)","95-08-9(1)","738","High Reliability","Name verified in PubChem"]
[1593,"CCCCCCC(CC=CCCCCCCCC(O)=O)OS(O)(=O)=O\n\n\n","CCCCCCC(OS(=O)(=O)O)CC=CCCCCCCCC(=O)O","O=C(O)CCCCCCCC=CCC(OS(=O)(=O)O)CCCCCC","",1,"9-Octadecenoic acid, 12-(sulfooxy)-, (Z)-(1)","32430-00-5(1)","4532","Medium Reliability","Stereochemistry removed"]
[1594,"OC1=NCCCCCCCCCCCCCCCCC1\nO=C1CCCCCCCCCCCCCCCCCN1\n\n","OC1=NCCCCCCCCCCCCCCCCC1","OC1=NCCCCCCCCCCCCCCCCC1","",1,"Azacyclononadecan-2-one(1)","109643-95-0(1)","5555","Medium Reliability"]
[1595,"CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1\n\n\n","CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC","O1CC(OC12(CCC(CC2)C(C)(C)C))CN(CC)CCC","",1,"kwg4168(1)","118134-30-8(1)","5617","Medium Reliability","Name verified in PubChem"]
[1596,"CCCCCCCCCCCCCCCCCC(O)=O\n\n\n","CCCCCCCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCCCCCC","",1,"STEARIC ACID(1)","57-11-4(1)","118","High Reliability"]
[1597,"CCCCCCCCCCCCCCCCCC\n\n\n","CCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCC","",1,"OCTADECANE(1)","593-45-3(1)","2318","High Reliability"]
[1598,"CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC\n\n\n","CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC","O=P(OCCCC)(OCCCC)C1(NCCCC)(CCCCC1)","",1,"Buminafos(1)","51249-05-9(1)","4807","High Reliability"]
[1599,"CCCCCCCCCCCCCCCCCCO\n\n\n","CCCCCCCCCCCCCCCCCCO","OCCCCCCCCCCCCCCCCCC","",1,"1-OCTADECANOL(1)","112-92-5(1)","1266","High Reliability"]
[1600,"CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC\n\n\n","CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC","O=P(OCCOCCCC)(OCCOCCCC)OCCOCCCC","",1,"TRI-2-BUTOXYETHYL PHOSPHATE(1)","78-51-3(1)","438","Medium Reliability"]
[1601,"Fc1ccc(NC(=O)c2c(Oc3cc(ccc3)C(F)(F)F)nccc2)c(F)c1\n\n\n","Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F","O=C(Nc1ccc(F)cc1(F))c3cccnc3(Oc2cccc(c2)C(F)(F)F)","",1,"DIFLUFENICAN(1)","83164-33-4(1)","5288","High Reliability"]
[1602,"Cc1c2cc(F)c3ccccc3c2cc4ccccc14\nCc1c2ccccc2cc3c1cc(F)c4ccccc34\n\n","Cc1c2cc(F)c3c(c2cc2c1cccc2)cccc3","Fc3cc2c(cc1ccccc1c2C)c4ccccc34","",1,"BENZ[a]ANTHRACENE, 5-FLUORO-7-METHYL-(1)","2498-63-7(1)","3224","High Reliability"]
[1603,"Cc1c2c(F)cc3ccccc3c2cc4ccccc14\nCc1c2ccccc2cc3c4ccccc4cc(F)c13\n\n","Fc1cc2ccccc2c2c1c(C)c1ccccc1c2","Fc3cc1ccccc1c4cc2ccccc2c(c34)C","",1,"BENZ[a]ANTHRACENE, 6-FLUORO-7-METHYL-(1)","2541-68-6(1)","3234","High Reliability"]
[1604,"Cc1cc2ccccc2c3c1c4ccccc4cc3\nCc1cc2ccccc2c3ccc4ccccc4c13\n\n","Cc1cc2ccccc2c2c1c1ccccc1cc2","c1ccc2c(c1)ccc3c4ccccc4(cc(c23)C)","",1,"5-METHYLCHRYSENE(1)","3697-24-3(1)","3415","High Reliability"]
[1605,"Cc1cc2c(ccc3ccccc23)c4ccccc14\nCc1cc2c3ccccc3ccc2c4ccccc14\n\n","Cc1cc2c(c3c1cccc3)ccc1c2cccc1","c1ccc3c(c1)ccc4c2ccccc2c(cc34)C","",1,"6-METHYLCHRYSENE(1)","1705-85-7(1)","2968","High Reliability"]
[1606,"Cc1c2c(ccc3ccccc23)cc4ccccc14\nCc1c2ccccc2cc3ccc4ccccc4c13\n\n","Cc1c2ccccc2cc2c1c1ccccc1cc2","c1ccc4c(c1)ccc3cc2ccccc2c(c34)C","",1,"12-METHYLBENZ(A)ANTHRACENE(1)","2422-79-9(1)","3198","High Reliability"]
[1607,"Cc1c2c(ccc3cc4ccccc4cc23)ccc1\nCc1cccc2ccc3cc4ccccc4cc3c12\n\n","Cc1cccc2c1c1cc3ccccc3cc1cc2","c3ccc4cc2c(ccc1cccc(c12)C)cc4(c3)","",1,"1-METHYLBENZ(A)ANTHRACENE(1)","2498-77-3(1)","3225","High Reliability"]
[1608,"Cc1ccc2cc3ccc4ccccc4c3cc2c1\n\n\n","Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2","c1ccc3c(c1)ccc2cc4ccc(cc4(cc23))C","",1,"10-METHYL-BENZ(A)ANTHRACENE(1)","2381-15-9(1)","3182","Medium Reliability"]
[1609,"Cc1cc2c(cc1)cc3c(ccc4ccccc34)c2\n\n\n","Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1","c1ccc3c(c1)ccc2cc4cc(ccc4(cc23))C","",1,"9-METHYLBENZ(A)ANTHRACENE(1)","2381-16-0(1)","3183","High Reliability"]
[1610,"NC(=O)c1nn(c(n1)-c2ccccc2)-c3cc(COCC(F)(F)C(F)(F)F)c(Cl)cc3\nNC(=O)c1nn(-c2ccc(Cl)c(COCC(F)(F)C(F)(F)F)c2)c(n1)-c3ccccc3\n\n","Clc1ccc(cc1COCC(C(F)(F)F)(F)F)n1nc(nc1c1ccccc1)C(=O)N","O=C(N)c2nc(c1ccccc1)n(n2)c3ccc(c(c3)COCC(F)(F)C(F)(F)F)Cl","",1,"Flupoxam(1)","119126-15-7(1)","5631","High Reliability"]
[1611,"Cn1cc(c(=O)c(c1)-c2cc(ccc2)C(F)(F)F)-c3ccccc3\n\n\n","Cn1cc(c2cccc(c2)C(F)(F)F)c(=O)c(c1)c1ccccc1","O=C1C(=CN(C=C1c2cccc(c2)C(F)(F)F)C)c3ccccc3","",1,"FLURIDONE(1)","59756-60-4(1)","4975","High Reliability"]
[1612,"Oc1ccc(cc1)C(c2ccc(O)cc2)=C3C=CC(=O)C=C3\n\n\n","O=C1C=CC(=C(c2ccc(cc2)O)c2ccc(cc2)O)C=C1","O=C1C=CC(C=C1)=C(c2ccc(O)cc2)c3ccc(O)cc3","",1,"ROSOLIC ACID(1)","603-45-2(1)","2375","Medium Reliability"]
[1613,"CCOC(=O)C(C)OC(=O)c1c(ccc(Oc2c(Cl)cc(cc2)C(F)(F)F)c1)[N+]([O-])=O\nCCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O\n\n","CCOC(=O)C(OC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F)C","O=C(OC(C(=O)OCC)C)c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-]","",1,"LACTOFEN(1)","77501-63-4(1)","5240","High Reliability"]
[1614,"OC(c1ccccc1)c2c(NC(=O)c3ccncc3)ccc(Cl)c2\nOC(c1ccccc1)c2cc(Cl)ccc2NC(=O)c3ccncc3\n\n","Clc1ccc(c(c1)C(c1ccccc1)O)NC(=O)c1ccncc1","O=C(Nc1ccc(cc1C(O)c2ccccc2)Cl)c3ccncc3","",1,"Inabenfide(1)","82211-24-3(1)","5277","High Reliability"]
[1615,"CC(=O)CC(c1ccc(Cl)cc1)c2c(O)c3c(oc2=O)cccc3\nCC(=O)CC(c1ccc(Cl)cc1)c2c(O)oc3ccccc3c2=O\n\n","CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccc(cc1)Cl","O=C1Oc3ccccc3(C(O)=C1C(c2ccc(cc2)Cl)CC(=O)C)","",1,"COUMACHLOR(1)","81-82-3(1)","510","High Reliability"]
[1616,"Fc1cc2c(cc1N3C(=O)C4=C(CCCC4)C3=O)N(CC#C)C(=O)CO2\n\n\n","C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2","O=C1C4=C(C(=O)N1c3cc2c(OCC(=O)N2CC#C)cc3(F))CCCC4","",1,"Flumioxazin(1)","103361-09-7(1)","5480","High Reliability"]
[1617,"OC(=O)CN(CC(O)=O)Cc1cc2c(c(O)c1O)C(=O)c3ccccc3C2=O\n\n\n","OC(=O)CN(Cc1cc2c(c(c1O)O)C(=O)c1c(C2=O)cccc1)CC(=O)O","O=C(O)CN(CC(=O)O)Cc1cc2C(=O)c3ccccc3(C(=O)c2(c(O)c1(O)))","",1,"Alizarin complexone(1)","3952-78-1(1)","3448","High Reliability"]
[1618,"Cn1nc(C)c(C(=O)c2c(Cl)cc(Cl)cc2)c1OS(=O)(=O)c3ccc(C)cc3\n[O-]C(=O)c1cc[nH]n1\nCn1nc(C)c(C(=O)c2ccc(Cl)cc2Cl)c1OS(=O)(=O)c3ccc(C)cc3\n","Cc1ccc(cc1)S(=O)(=O)Oc1n(C)nc(c1C(=O)c1ccc(cc1Cl)Cl)C","O=C(c1ccc(cc1Cl)Cl)c3c(nn(c3(OS(=O)(=O)c2ccc(cc2)C))C)C","",1,"pyrazolate(1)","58011-68-0(1)","4954","High Reliability","Name verified in PubChem"]
[1619,"COCC(=NOCC(=O)OC)c1c(ccc(Oc2c(Cl)cc(cc2)C(F)(F)F)c1)[N+]([O-])=O\n\n\n","COCC(=NOCC(=O)OC)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F","O=C(OC)CON=C(c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-])COC","",1,"akh-7088(1)","104459-82-7(1)","5490","Medium Reliability","Stereochemistry removed, Name verified in PubChem"]
[1620,"COc1cc2c(cc1)n(C(=O)c3ccc(Cl)cc3)c(C)c2CC(O)=O\nCOc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3\n\n","COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C","O=C(O)Cc3c1cc(OC)ccc1n(C(=O)c2ccc(cc2)Cl)c3C","",1,"INDOMETHACIN(1)","53-86-1(1)","74","High Reliability"]
[1621,"OC(c1ccccc1)(c2ccccc2)c3ccccc3\n\n\n","OC(c1ccccc1)(c1ccccc1)c1ccccc1","OC(c1ccccc1)(c2ccccc2)c3ccccc3","",1,"TRIPHENYLCARBINOL(1)","76-84-6(1)","405","High Reliability"]
[1622,"CC(=O)CC(c1ccccc1)c2c(O)c3ccccc3oc2=O\nCC(=O)CC(c1ccccc1)c2c(O)oc3ccccc3c2=O\n\n","CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1","O=C1Oc3ccccc3(C(O)=C1C(c2ccccc2)CC(=O)C)","",1,"WARFARIN(1)","81-81-2(1)","509","High Reliability"]
[1623,"CC1COC(Cn2cncn2)(O1)c3c(Cl)cc(Oc4ccc(Cl)cc4)cc3\nCC1COC(Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl\n\n","CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl","n1cnn(c1)CC2(OCC(O2)C)c4ccc(Oc3ccc(cc3)Cl)cc4Cl","",1,"Difenoconazole(1)","119446-68-3(1)","5633","High Reliability"]
[1624,"CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1\n\n\n","CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C","O=C(OCC)C(Oc3ccc(Oc1nc2ccc(cc2(nc1))Cl)cc3)C","",2,"QUIZALOFOP-ETHYL(1), QUIZALOFOP-P-ETHYL(1)","76578-14-8(1), 100646-51-3(1)","5230, 5450","High Reliability","Stereochemistry removed"]
[1625,"OCC(O)COC(=O)c1c(Nc2c3ccc(Cl)cc3ncc2)cccc1\nOCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23\n\n","OCC(COC(=O)c1ccccc1Nc1ccnc2c1ccc(c2)Cl)O","O=C(OCC(O)CO)c3ccccc3(Nc2ccnc1cc(ccc12)Cl)","",1,"Glafenine(1)","3820-67-5(1)","3438","High Reliability"]
[1626,"Clc1ccc(CCC(Cn2cncn2)(C#N)c3ccccc3)cc1\n\n\n","N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl","N#CC(c1ccccc1)(Cn2ncnc2)CCc3ccc(cc3)Cl","",1,"Fenbuconazole(1)","114369-43-6(1)","5580","High Reliability"]
[1627,"CC(Oc1cc2ccccc2cc1)C(O)=Nc3ccccc3\nCC(Oc1ccc2ccccc2c1)C(=O)Nc3ccccc3\n\n","CC(C(=Nc1ccccc1)O)Oc1ccc2c(c1)cccc2","OC(=Nc1ccccc1)C(Oc2ccc3ccccc3(c2))C","",1,"Naproanilide(1)","52570-16-8(1)","4836","High Reliability"]
[1628,"CC(=O)CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3\n\n\n","CC(=O)CCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1","O=C3N(c1ccccc1)N(c2ccccc2)C(=O)C3CCC(=O)C","",1,"Kebuzone(1)","853-34-9(1)","2717","High Reliability"]
[1629,"CCOCCOC(=O)C(C)Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1\n\n\n","CCOCCOC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C","O=C(OCCOCC)C(Oc2ccc(Oc1ncc(cc1Cl)C(F)(F)F)cc2)C","",1,"HALOXYFOP-ETOTYL(1)","87237-48-7(1)","5317","High Reliability"]
[1630,"CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(Cl)c(F)cc2\nCC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2\n\n","CC(OC(=O)C(N(C(=O)c1ccccc1)c1ccc(c(c1)Cl)F)C)C","O=C(OC(C)C)C(N(C(=O)c1ccccc1)c2ccc(F)c(c2)Cl)C","",3,"FLAMPROP-ISOPROPYL(1), Flamprop-M-isopropyl(2)","52756-22-6(1), 57973-67-8(1), 63782-90-1(1)","4862, 4952, 5027","High Reliability","Stereochemistry removed"]
[1631,"CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1\n\n\n","CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C","O=C(OCCCC)C(Oc2ccc(Oc1ncc(cc1)C(F)(F)F)cc2)C","",2,"Fluazifop-P-butyl(1), fluazifop-butyl(1)","79241-46-6(1), 69806-50-4(1)","5252, 5131","Medium Reliability","Stereochemistry removed, Name verified in PubChem"]
[1632,"CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3\n\n\n","CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1","O=C3N(c1ccccc1)N(c2ccccc2)C(=O)C3CCCC","",1,"PHENYLBUTAZONE(1)","50-33-9(1)","19","High Reliability"]
[1633,"CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3\n\n\n","CCCCC1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1","O=C3N(c1ccccc1)N(c2ccc(O)cc2)C(=O)C3CCCC","",1,"OXYPHENBUTAZONE(1)","129-20-4(1)","1490","High Reliability"]
[1634,"CCCCOC(=O)c1c(cccc1)C(=O)OCc2ccccc2\nCCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2\n\n","CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1","O=C(OCc1ccccc1)c2ccccc2(C(=O)OCCCC)","",1,"BUTYL BENZYL PHTHALATE(1)","85-68-7(1)","560","High Reliability"]
[1635,"Clc1ccc(CN(C2CCCC2)C(=O)Nc3ccccc3)cc1\n\n\n","Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1","O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3","",1,"PENCYCURON(1)","66063-05-6(1)","5058","High Reliability"]
[1636,"CN(C)CCC=C1c2c(COc3c1cccc3)cccc2\n[H+].[Cl-].CN(C)CCC=C1c2ccccc2COc3ccccc13\nCN(C)CCC=C1c2ccccc2COc3ccccc13\n","CN(CCC=C1c2ccccc2OCc2c1cccc2)C","O3c1ccccc1C(=CCCN(C)C)c2ccccc2C3","",1,"DOXEPIN(1)","1668-19-5(1)","2956","High Reliability","Differences in counterions, Stereochemistry removed"]
[1637,"COC1=CC=C2C3Cc4c5c(OC1C25CCN3C)c(OC)cc4\nCOC1=CC=C2C3Cc4ccc(OC)c5OC1C2(CCN3C)c45\n\n","COC1=CC=C2C34C1Oc1c4c(CC2N(CC3)C)ccc1OC","O(c5ccc4c1c5(OC3C(OC)=CC=C2C(N(C)CCC123)C4))C","",1,"PARAMORPHINE(1)","115-37-7(1)","1282","High Reliability","Stereochemistry removed"]
[1638,"OC(C1CC2CCN1CC2C=C)c3ccnc4c3cccc4\nOC(C1CC2CCN1CC2C=C)c3ccnc4ccccc34\n[H]C1(CC2CCN1CC2C=C)C(O)c3c4ccccc4ncc3\nOC(C1CC2CCN1CC2C=C)c3ccnc4ccccc34","C=CC1CN2CCC1CC2C(c1ccnc2c1cccc2)O","OC(c2ccnc1ccccc12)C3N4CCC(C3)C(C=C)C4","",2,"CINCHONINE(1), CINCHONIDINE(1)","118-10-5(1), 485-71-2(1)","1317, 1862","High Reliability","Stereochemistry removed"]
[1639,"CCN(C(=O)Oc1cccc(NC(=O)OC(C)C)c1)c2ccccc2\n\n\n","CCN(c1ccccc1)C(=O)Oc1cccc(c1)NC(=O)OC(C)C","O=C(OC(C)C)Nc2cccc(OC(=O)N(c1ccccc1)CC)c2","",1,"Phenisopham(1)","57375-63-0(1)","4946","High Reliability"]
[1640,"CN1CCCC(CN2c3c(Sc4c2cccc4)cccc3)C1\nCN1CCCC(C1)CN2c3ccccc3Sc4ccccc24\n[H+].[Cl-].CN1CCCC(C1)CN2c3ccccc3Sc4ccccc24\n","CN1CCCC(C1)CN1c2ccccc2Sc2c1cccc2","c1ccc3c(c1)N(c2ccccc2S3)CC4CN(C)CCC4","",1,"Mepazine(1)","60-89-9(1)","196","Medium Reliability"]
[1641,"CC12C3C(C(O)=O)C45CC(=C)C(O)(C4)CCC5C3(OC1=O)C=CC2O\n\n\n","OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O","O=C(O)C4C2C1(OC(=O)C2(C)(C(O)C=C1))C5CCC3(O)(C(=C)CC45(C3))","",1,"GIBBERELLIC ACID(1)","77-06-5(1)","410","High Reliability","Stereochemistry removed"]
[1642,"CCCCCCCCSC(=O)Oc1cc(Cl)nnc1-c2ccccc2\n\n\n","CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1","O=C(Oc1cc(nnc1c2ccccc2)Cl)SCCCCCCCC","",1,"Pyridate(1)","55512-33-9(1)","4913","High Reliability"]
[1643,"CN(C=Nc1c(C)cc(C)cc1)C=Nc2c(C)cc(C)cc2\nCN(C=Nc1ccc(C)cc1C)C=Nc2ccc(C)cc2C\n\n","CN(C=Nc1ccc(cc1C)C)C=Nc1ccc(cc1C)C","N(=CN(C=Nc1ccc(cc1C)C)C)c2ccc(cc2C)C","",1,"AMITRAZ(1)","33089-61-1(1)","4554","High Reliability","Stereochemistry removed"]
[1644,"CCOc1c2OC3C(O)C=CC4C5Cc(cc1)c2C34CCN5C\nCCOc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C\n\n","CCOc1ccc2c3c1OC1C43CCN(C(C2)C4C=CC1O)C","OC1C=CC5C4N(C)CCC25(c3c(OC12)c(OCC)ccc3C4)","",1,"DIONINE(1)","76-58-4(1)","401","High Reliability","Stereochemistry removed"]
[1645,"CN(C)CCCN1c2ccccc2CCc3ccccc13\n\n\n","CN(CCCN1c2ccccc2CCc2c1cccc2)C","c1ccc3c(c1)N(c2ccccc2CC3)CCCN(C)C","",1,"IMIPRAMINE(1)","50-49-7(1)","25","High Reliability"]
[1646,"CCC1CN2CCC1CC2C(O)c3ccnc4ccccc34\n\n\n","CCC1CN2CCC1CC2C(c1ccnc2c1cccc2)O","OC(c2ccnc1ccccc12)C3N4CCC(C3)C(C4)CC","",1,"Hydrocinchonine(1)","485-65-4(1)","1861","High Reliability","Stereochemistry removed"]
[1647,"OC12CCOC1(Nc3ccccc23)C4CC5CCN4CC5C=C\n\n\n","C=CC1CN2CCC1CC2C12OCCC2(O)c2c(N1)cccc2","OC14(c5ccccc5(NC4(OCC1)(C2N3CCC(C2)C(C=C)C3)))","",1,"QUINAMINE(1)","464-85-7(1)","1816","High Reliability","Stereochemistry removed"]
[1648,"O=C(C1CCCCC1)N2CC3N(CCc4c3cccc4)C(=O)C2\nO=C1CN(CC2N1CCc3ccccc23)C(=O)C4CCCCC4\n\n","O=C(N1CC(=O)N2C(C1)c1ccccc1CC2)C1CCCCC1","O=C4N2CCc1ccccc1C2CN(C(=O)C3CCCCC3)C4","",1,"Praziquantel(1)","55268-74-1(1)","4904","High Reliability"]
[1649,"CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(N)=O\n\n\n","CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=O)N)O)O","O=C(N)c1cc(ccc1(O))C(O)CNC(C)CCc2ccccc2","",1,"LABETALOL(1)","36894-69-6(1)","4640","High Reliability"]
[1650,"COc1cc2c(Sc3c(cccc3)N2CC(C)CN(C)C)cc1\nCOc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1\n\n","COc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1","O(c1ccc3c(c1)N(c2ccccc2S3)CC(C)CN(C)C)C","",1,"METHOTRIMEPRAZINE(1)","60-99-1(1)","197","High Reliability","Stereochemistry removed"]
[1651,"CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2=O\n\n\n","O=C1CCC2(C(=C1)CCC1C2C(=O)CC2(C1CCC2=O)C)C","O=C4C=C3CCC1C(C(=O)CC2(C(=O)CCC12)(C))C3(C)CC4","",1,"Andrenosterone(1)","382-45-6(1)","1770","Medium Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1652,"CC(C)=CC1C(C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C\n\n\n","C#CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C","O=C(OC1C(=C(C(=O)C1)CC#C)C)C2C(C=C(C)C)C2(C)(C)","",1,"PRALLETHRIN(1)","23031-36-9(1)","4334","High Reliability","Stereochemistry removed"]
[1653,"CC=CC(=O)OC1CC2OC3C=C(C)C(=O)CC3(C)C1(C)C24CO4\n\n\n","CC=CC(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3","O=C(OC2CC4OC1C=C(C(=O)CC1(C)C2(C)C34(OC3))C)C=CC","",1,"TRICHOTHECIN(1)","6379-69-7(1)","3748","High Reliability","Stereochemistry removed"]
[1654,"CC(C)(C)n1ncc(SCc2ccc(cc2)C(C)(C)C)c(Cl)c1=O\n\n\n","O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C","O=C1C(=C(C=NN1C(C)(C)C)SCc2ccc(cc2)C(C)(C)C)Cl","",1,"PYRIDABEN(1)","96489-71-3(1)","5403","High Reliability"]
[1655,"CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C\n\n\n","O=C(C1C(C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2","O=C(OCN1C(=O)C2=C(C1(=O))CCCC2)C3C(C=C(C)C)C3(C)(C)","",1,"PHTHALTHRIN(1)","7696-12-0(1)","3871","High Reliability","Stereochemistry removed"]
[1656,"C1CCC(CC1)N(Sc2nc3c(s2)cccc3)C4CCCCC4\nC1CCC(CC1)N(Sc2sc3ccccc3n2)C4CCCCC4\n\n","C1CCC(CC1)N(C1CCCCC1)Sc1nc2c(s1)cccc2","n2c1ccccc1sc2SN(C3CCCCC3)C4CCCCC4","",1,"2-Benzothiazolesulfenamide, N,N-dicyclohexyl-(1)","4979-32-2(1)","3555","High Reliability"]
[1657,"COC(=O)c1ccccc1OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O\n\n\n","COC(=O)c1ccccc1OC1OC(COC2OCC(C(C2O)O)O)C(C(C1O)O)O","O=C(OC)c3ccccc3(OC2OC(COC1OCC(O)C(O)C1(O))C(O)C(O)C2(O))","",1,"MONOTROPITOSIDE(1)","490-67-5(1)","1875","High Reliability","Stereochemistry removed"]
[1658,"[H]C12CCC(=O)C1(C)CCC3([H])C2([H])CCC4=CC(=O)CCC34C\nCC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2=O\n\n","O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C","O=C3C=C2CCC1C4CCC(=O)C4(C)(CCC1C2(C)CC3)","",1,"ANDROSTENEDIONE(1)","63-05-8(1)","216","High Reliability","Stereochemistry removed"]
[1659,"CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C\n\n\n","C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C","O=C(OC1C(=C(C(=O)C1)CC=C)C)C2C(C=C(C)C)C2(C)(C)","",1,"ALLETHRIN(1)","584-79-2(1)","2245","High Reliability"]
[1660,"CC(C)(C)c1ccc(OC2CCCCC2OS(=O)OCC#C)cc1\n\n\n","C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C","O=S(OCC#C)OC2CCCCC2(Oc1ccc(cc1)C(C)(C)C)","",1,"PROPARGITE(1)","2312-35-8(1)","3167","High Reliability"]
[1661,"CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O\nCC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2O\n\n","OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C","O=C2CCC3C4CC=C1CC(O)CCC1(C)C4(CCC23(C))","",2,"PRASTERONE(1), TESTOSTERONE(1)","53-43-0(1), 58-22-0(1)","72, 147","High Reliability","Stereochemistry removed"]
[1662,"CC12CCC3C(CCC4CC(O)CCC34C)C1CCC2=O\n[H]C12CCC(=O)C1(C)CCC3([H])C2([H])CCC4([H])CC(O)CCC34C\nCC12CCC(O)CC1CCC3C2CCC4(C)C3CCC4=O\n[H]C12CCC(O)C1(C)CCC3([H])C2([H])CCC4([H])CC(=O)CCC34C, CC12CCC3C(CCC4CC(=O)CCC34C)C1CCC2O","OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2=O)C)C","O=C2CCC3C4CCC1CC(O)CCC1(C)C4(CCC23(C))","",3,"ANDROSTERONE(1), Epiandrosterone(1), ANDROSTAN-3-ONE, 17-HYDROXY-, (5ALPHA,17BETA)-(1)","53-41-8(1), 481-29-8(1), 521-18-6(1)","71, 1852, 1982","High Reliability","Stereochemistry removed"]
[1663,"CC12CCC(O)CC1CCC3C4CCC(=O)C4(C)CC(O)C23\n\n\n","OC1CCC2(C(C1)CCC1C2C(O)CC2(C1CCC2=O)C)C","O=C2CCC3C4CCC1CC(O)CCC1(C)C4(C(O)CC23(C))","",1,"3,11-Dihydroxy-androstan-17-one(1)","514-17-0(1)","1966","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1664,"CCCCOCCOCCOCc1cc2c(OCO2)cc1CCC\n[O-]CCCCCc1ccc2OCOc2c1\n\n","CCCCOCCOCCOCc1cc2OCOc2cc1CCC","O1c2cc(c(cc2(OC1))CCC)COCCOCCOCCCC","",1,"piperonylbutoxide(1)","51-03-6(1)","38","High Reliability","Name verified in PubChem"]
[1665,"CC12CCC3C(CCC4CC5SC5CC34C)C1CCC2O\n\n\n","OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2","OC2CCC3C4CCC1CC5C(CC1(C)C4(CCC23(C)))S5","",1,"Epitiostanol(1)","2363-58-8(1)","3176","High Reliability","Stereochemistry removed"]
[1666,"CCCCCCCCCCCCOC(=O)c1ccc(N)cc1\n\n\n","CCCCCCCCCCCCOC(=O)c1ccc(cc1)N","O=C(OCCCCCCCCCCCC)c1ccc(N)cc1","",1,"BENZOIC ACID, 4-AMINO-, DODECYL ESTER(1)","20043-94-1(1)","4247","High Reliability","Checked on PubChem, Checked on ChemID"]
[1667,"COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C\n\n\n","COC(CCCC(CC=CC(=CC(=O)OC(C)C)C)C)(C)C","O=C(OC(C)C)C=C(C=CCC(C)CCCC(OC)(C)C)C","",1,"METHOPRENE(1)","40596-69-8(1)","4733","High Reliability","Stereochemistry removed"]
[1668,"CCCCCCCCCCCCCCCCN=C(O)C(C)O\nCCCCCCCCCCCCCCCCNC(=O)C(C)O\n\n","CCCCCCCCCCCCCCCCN=C(C(O)C)O","OC(=NCCCCCCCCCCCCCCCC)C(O)C","",1,"Propanamide, N-hexadecyl-2-hydroxy-(1)","5323-53-5(1)","3581","High Reliability"]
[1669,"Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(Oc3ncc(cc3Cl)C(F)(F)F)c(Cl)cc2\n\n\n","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Oc1ncc(cc1Cl)C(F)(F)F)Cl","O=C(NC(=O)c1c(F)cccc1(F))Nc3ccc(c(Oc2ncc(cc2Cl)C(F)(F)F)c3)Cl","",1,"FLUAZURON(1)","86811-58-7(1)","5314","High Reliability"]
[1670,"c1cc2cc-3c(cc2cc1)-c4c5c3cccc5ccc4\nc1ccc2cc3-c4cccc5cccc(-c3cc2c1)c45\n\n","c1ccc2c(c1)cc1c(c2)c2c3c1cccc3ccc2","c1ccc2cc3c5cccc4cccc(c3(cc2(c1)))c45","",1,"BENZO(K)FLUORANTHENE(1)","207-08-9(1)","1653","High Reliability"]
[1671,"c1ccc-2c(c1)-c3cccc4c5ccccc5cc2c34\nc1ccc2c(c1)cc3-c4ccccc4-c5cccc2c35\n\n","c1ccc2c(c1)c1cc3ccccc3c3c1c2ccc3","c1ccc3c(c1)cc5c2ccccc2c4cccc3c45","",1,"BENZO(B)FLUORANTHENE(1)","205-99-2(1)","1651","High Reliability"]
[1672,"c1cc2cc3ccc4cccc5ccc(c2cc1)c3c45\nc1ccc2c(c1)cc3ccc4cccc5ccc2c3c45\n\n","c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3","c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45","",1,"BENZO(A)PYRENE(1)","50-32-8(1)","18","High Reliability"]
[1673,"c1cc2c(cc1)c-3c(cc2)-c4cccc5cccc3c45\nc1ccc2c(c1)ccc3-c4cccc5cccc(c45)-c23\n\n","c1ccc2c(c1)ccc1c2c2cccc3c2c1ccc3","c1ccc4c(c1)ccc5c3cccc2cccc(c23)c45","",1,"BENZO(J)FLUORANTHENE(1)","205-82-3(1)","1650","High Reliability"]
[1674,"c1cc2c3cccc4ccc5cccc(c2cc1)c5c34\nc1ccc2c(c1)c3cccc4ccc5cccc2c5c34\n\n","c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3","c1ccc2c(c1)c5cccc4ccc3cccc2c3c45","",1,"BENZO(E)PYRENE(1)","192-97-2(1)","1643","High Reliability"]
[1675,"c1cc2c3c(c1)c4cccc5c4c(ccc5)c3ccc2\nc1cc2cccc3c4cccc5cccc(c(c1)c23)c45\n\n","c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2","c1cc2cccc3c5cccc4cccc(c(c1)c23)c45","",1,"PERYLENE(1)","198-55-0(1)","1647","High Reliability"]
[1676,"Oc1cc2c(cc1)C3(OC(=O)c4c3cccc4)c5c(O2)cc(O)cc5\nOc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1\n\n","Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O","O=C4OC2(c3ccc(O)cc3(Oc1cc(O)ccc12))c5ccccc45","",1,"FLUORESCEIN(1)","518-45-6(1)","1978","Medium Reliability"]
[1677,"[nH]1c2c(ccc3ccccc23)c4c1c5ccccc5cc4\n[nH]1c2c3ccccc3ccc2c4ccc5ccccc5c14\n\n","c1ccc2c(c1)c1[nH]c3c(c1cc2)ccc1c3cccc1","c1ccc3c(c1)ccc4c5ccc2ccccc2c5([nH]c34)","",1,"13H-DIBENZO(A,I)CARBAZOLE(1)","239-64-5(1)","1668","Medium Reliability"]
[1678,"[nH]1c2c(c3c1ccc4ccccc34)c5ccccc5cc2\n[nH]1c2ccc3ccccc3c2c4c1ccc5ccccc45\n\n","c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1","c1ccc5c(c1)ccc4[nH]c3ccc2ccccc2c3c45","",1,"7H-DIBENZO(C,G)CARBAZOLE(1)","194-59-2(1)","1645","High Reliability"]
[1679,"N1c2c(Sc3c1c4ccccc4cc3)ccc5ccccc25\nN1c2c(Sc3ccc4ccccc4c13)ccc5ccccc25\n\n","c1ccc2c(c1)c1Nc3c(Sc1cc2)ccc1c3cccc1","c1ccc5c(c1)ccc3c5(Nc2c4ccccc4(ccc2S3))","",1,"14H-Dibenzo[a,j]phenothiazine(1)","224-62-4(1)","1660","High Reliability"]
[1680,"N1c2c(Sc3c1ccc4ccccc34)c5ccccc5cc2\nN1c2ccc3ccccc3c2Sc4c1ccc5ccccc45\n\n","c1ccc2c(c1)c1Sc3c(Nc1cc2)ccc1c3cccc1","c1ccc5c(c1)ccc4Nc3ccc2ccccc2c3Sc45","",1,"7H-Dibenzo[c,h]phenothiazine(1)","224-72-6(1)","1661","High Reliability"]
[1681,"C1Cc2c3ccc4ccccc4c3cc5cccc1c25\n\n\n","c1ccc2c(c1)ccc1c2cc2cccc3c2c1CC3","c1ccc5c(c1)ccc3c5(cc2cccc4c2c3CC4)","",1,"CHOLANTHRENE(1)","479-23-2(1)","1842","Medium Reliability"]
[1682,"[Na+].[Na+].[Na+].Oc1c(N=Nc2c3ccccc3c(cc2)S([O-])(=O)=O)c4c(cc(cc4cc1)S([O-])(=O)=O)S([O-])(=O)=O\n[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc2C=CC(=O)C(=NNc3ccc(c4ccccc34)S([O-])(=O)=O)c2c(c1)S([O-])(=O)=O\n\n","Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)c4cc3ccc(O)c(N=Nc1ccc(c2ccccc12)S(=O)(=O)O)c3c(c4)S(=O)(=O)O","",1,"ACID RED 18(1)","2611-82-7(1)","3254","High Reliability","Stereochemistry removed"]
[1683,"Oc1ccc(cc1)C2(OC(=O)c3c2cccc3)c4ccc(O)cc4\nOc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4\n\n","Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O","O=C3OC(c1ccc(O)cc1)(c2ccc(O)cc2)c4ccccc34","",1,"PHENOLPHTHALEIN(1)","77-09-8(1)","411","High Reliability"]
[1684,"O=C(Oc1ccccc1)c2ccccc2C(=O)Oc3ccccc3\n\n\n","O=C(c1ccccc1C(=O)Oc1ccccc1)Oc1ccccc1","O=C(Oc1ccccc1)c3ccccc3(C(=O)Oc2ccccc2)","",1,"DIPHENYL PHTHALATE(1)","84-62-8(1)","542","High Reliability"]
[1685,"NC1C2CN(CC12)c3c(F)cc4c(=O)c(cn(-c5ccc(F)cc5F)c4n3)C(O)=O\nNC1C2CN(CC12)c3nc4n(cc(C(O)=O)c(=O)c4cc3F)-c5ccc(F)cc5F\n\n","NC1C2C1CN(C2)c1nc2c(cc1F)c(=O)c(cn2c1ccc(cc1F)F)C(=O)O","O=C(O)C1=CN(c2nc(c(F)cc2(C1(=O)))N3CC4C(N)C4(C3))c5ccc(F)cc5(F)","",1,"Trovafloxacin(1)","147059-72-1(1)","5724","High Reliability","Stereochemistry removed"]
[1686,"Cc1c(C)c2c(ccc3ccccc23)c4ccccc14\nCc1c(C)c2c3ccccc3ccc2c4ccccc14\n\n","Cc1c2ccccc2c2c(c1C)c1ccccc1cc2","c1ccc3c(c1)ccc4c2ccccc2c(c(c34)C)C","",1,"5,6-DIMETHYLCHRYSENE(1)","3697-27-6(1)","3416","High Reliability"]
[1687,"Cc1cc2cc3ccccc3cc2c4cccc(C)c14\nCc1cccc2c3cc4ccccc4cc3cc(C)c12\n\n","Cc1cccc2c1c(C)cc1c2cc2c(c1)cccc2","c1ccc2cc4c(cc2(c1))cc(c3c4(cccc3C))C","",1,"BENZ(A)ANTHRACENE-4,5-DIMETHYLENE(1)","18429-70-4(1)","4195","Medium Reliability"]
[1688,"CCc1c2ccc3ccccc3c2cc4ccccc14\nCCc1c2ccccc2cc3c1ccc4ccccc34\n\n","CCc1c2ccc3c(c2cc2c1cccc2)cccc3","c1ccc4c(c1)ccc3c4(cc2ccccc2c3CC)","",1,"7-ETHYLBENZ(A)ANTHRACENE(1)","3697-30-1(1)","3417","High Reliability"]
[1689,"Cn1nc(C)c(C(=O)c2c(Cl)cc(Cl)cc2)c1OCC(=O)c3ccccc3\nCn1nc(C)c(C(=O)c2ccc(Cl)cc2Cl)c1OCC(=O)c3ccccc3\n\n","Clc1ccc(c(c1)Cl)C(=O)c1c(C)nn(c1OCC(=O)c1ccccc1)C","O=C(c1ccc(cc1Cl)Cl)c3c(nn(c3(OCC(=O)c2ccccc2))C)C","",1,"Pyrazoxyfen(1)","71561-11-0(1)","5163","High Reliability"]
[1690,"OC(=O)c1c(cccc1)C(c2ccc(O)cc2)c3ccc(O)cc3\nOc1ccc(cc1)C(c2ccc(O)cc2)c3ccccc3C(O)=O\n\n","Oc1ccc(cc1)C(c1ccccc1C(=O)O)c1ccc(cc1)O","O=C(O)c1ccccc1C(c2ccc(O)cc2)c3ccc(O)cc3","",1,"Benzoic acid, 2- bis(4-hydroxyphenyl)methyl -(1)","81-90-3(1)","511","Medium Reliability"]
[1691,"CCC1(CC2(CO2)c3cc(Cl)ccc3)C(=O)c4ccccc4C1=O\n\n\n","CCC1(CC2(CO2)c2cccc(c2)Cl)C(=O)c2c(C1=O)cccc2","O=C1c4ccccc4(C(=O)C1(CC)CC2(OC2)(c3cccc(c3)Cl))","",1,"INDANOFAN(1)","133220-30-1(1)","5681","High Reliability","Checked on PubChem, Checked on ChemID"]
[1692,"CN1c2ccccc2C(O)(c3ccccc3)c4ccccc14\n\n\n","CN1c2ccccc2C(c2c1cccc2)(O)c1ccccc1","OC4(c1ccccc1)(c2ccccc2N(c3ccccc34)C)","",1,"9-Acridinol, 9,10-dihydro-10-methyl-9-phenyl-(1)","6321-72-8(1)","3741","High Reliability"]
[1693,"CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)[N+]([O-])=O\n\n\n","N#CCCN(c1ccc(cc1)N=Nc1sc2c(n1)ccc(c2)[N+](=O)[O-])CCOC(=O)C","N#CCCN(c3ccc(N=Nc2nc1ccc(cc1s2)[N+](=O)[O-])cc3)CCOC(=O)C","",1,"AZO DYE RA(1)","68133-69-7(1)","5097","Medium Reliability"]
[1694,"CC1=C(C(=O)N(CO1)C(C)(C)c2cc(Cl)cc(Cl)c2)c3ccccc3\n\n\n","Clc1cc(Cl)cc(c1)C(N1COC(=C(C1=O)c1ccccc1)C)(C)C","O=C2C(c1ccccc1)=C(OCN2C(c3cc(cc(c3)Cl)Cl)(C)C)C","",1,"OXAZICLOMEFONE(1)","153197-14-9(1)","5727","High Reliability","Checked on PubChem, Checked on ChemID"]
[1695,"COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC\n\n\n","COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC","n2ccc1cc(OC)c(OC)cc1c2Cc3ccc(OC)c(OC)c3","",1,"PAPAVERINE(1)","58-74-2(1)","157","High Reliability"]
[1696,"CC(C)(C)c1ccc(CCOc2ncnc3c2cccc3)cc1\nCC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1\n\n","CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C","n1cnc3ccccc3(c1OCCc2ccc(cc2)C(C)(C)C)","",1,"FENAZAQUIN(1)","120928-09-8(1)","5639","High Reliability"]
[1697,"[H]C12CCN(CC1C=C)C(C2)C(=O)c3c4cc(OC)ccc4ncc3\nCOc1ccc2nccc(C(=O)C3CC4CCN3CC4C=C)c2c1\n\n","C=CC1CN2CCC1CC2C(=O)c1ccnc2c1cc(OC)cc2","O=C(c2ccnc1ccc(OC)cc12)C3N4CCC(C3)C(C=C)C4","",1,"Quininone(1)","84-31-1(1)","539","Medium Reliability"]
[1698,"OCc1ccccc1OC2OC(COC(=O)c3ccccc3)C(O)C(O)C2O\n\n\n","OCc1ccccc1OC1OC(COC(=O)c2ccccc2)C(C(C1O)O)O","O=C(OCC2OC(Oc1ccccc1CO)C(O)C(O)C2(O))c3ccccc3","",1,"POPULIN(1)","99-17-2(1)","841","High Reliability","Stereochemistry removed"]
[1699,"CN(C)CCC=C1c2ccccc2CCc3c1cccc3\nCN(C)CCC=C1c2ccccc2CCc3ccccc13\n\n","CN(CCC=C1c2ccccc2CCc2c1cccc2)C","c1ccc3c(c1)C(=CCCN(C)C)c2ccccc2CC3","",1,"amitryptyline(1)","50-48-6(1)","24","Medium Reliability","Name verified in PubChem"]
[1700,"CC(C)(C)C(O)C(Oc1ccc(cc1)-c2ccccc2)n3cncn3\n\n\n","OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1","OC(C(Oc1ccc(cc1)c2ccccc2)n3ncnc3)C(C)(C)C","",1,"BITERTANOL(1)","55179-31-2(1)","4899","High Reliability"]
[1701,"COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(C)cccc2C\n\n\n","COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C","O=C(OC)C(N(C(=O)Cc1ccccc1)c2c(cccc2C)C)C","",1,"BENALAXYL(1)","71626-11-4(1)","5164","High Reliability"]
[1702,"CN1CCN(CCCN2c3ccccc3Sc4c2cc(Cl)cc4)CC1\nCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1\n\n","CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2","c1ccc3c(c1)N(c2cc(ccc2S3)Cl)CCCN4CCN(C)CC4","",1,"prochloroperazine(1)","58-38-8(1)","150","Medium Reliability","Name verified in PubChem"]
[1703,"CC(C1=C(CCN(C)C)Cc2ccccc12)c3ncccc3\n\n\n","CN(CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C","n1ccccc1C(C=3c2ccccc2CC=3CCN(C)C)C","",1,"Dimethindene(1)","5636-83-9(1)","3645","High Reliability"]
[1704,"[H]C1(CC2CCN1CC2C=C)C(O)c3ccnc4ccc(OC)cc34\nCOc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1\nOS(O)(=O)=O.[H]C1(CC2CCN1CC2C=C)C(O)c3ccnc4ccc(OC)cc34.[H]C1(CC2CCN1CC2C=C)C(O)c3ccnc4ccc(OC)cc34\nO.O.O.O.O.O.O.OS(O)(=O)=O.OS(O)(=O)=O.[H]C1(CC2CCN1CC2C=C)C(O)c3ccnc4ccc(OC)cc34, COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1.OS(O)(=O)=O, COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1.OP=O","C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O","OC(c2ccnc1ccc(OC)cc12)C3N4CCC(C3)C(C=C)C4","",4,"QUINIDINE(1), QUININE(1), QUININE BISULFATE(1), QUININE HYPOPHOSPHITE(1)","56-54-2(1), 130-95-0(1), 549-56-4(1), 6119-53-5(1)","101, 1495, 2120, 3703","High Reliability","Differences in counterions, Organic counterion, Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1705,"[H]C12CCC(O)(C#C)C1(C)CCC3([H])c4c(CCC23[H])cc(O)cc4\nCC12CCC3C(CCc4cc(O)ccc34)C1CCC2(O)C#C\n\n","C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O","C#CC3(O)(CCC2C4CCc1cc(O)ccc1C4(CCC23(C)))","",1,"ETHINYL ESTRADIOL(1)","57-63-6(1)","134","High Reliability","Stereochemistry removed"]
[1706,"C1COc2ccccc2OCCOCCOc3c(OCCO1)cccc3\n\n\n","O1CCOc2ccccc2OCCOCCOc2c(OCC1)cccc2","O1c3ccccc3(OCCOCCOc2ccccc2(OCCOCC1))","",1,"[3,3]DB18C6-DIBENZO CROWN ETHER(1)","14187-32-7(1)","4018","Medium Reliability"]
[1707,"CCC1C2CC3C4N(C)c5c(cccc5)C46CC(C2C6O)N3C1O\nCCC1C(O)N2C3CC1C4C(O)C5(CC24)C3N(C)c6ccccc56\n\n","CCC1C2CC3N(C1O)C1C2C(O)C2(C3N(C)c3c2cccc3)C1","OC1N5C3CC(C1(CC))C6C(O)C4(c2ccccc2N(C)C34)(CC56)","",1,"AJMALINE(1)","4360-12-7(1)","3483","High Reliability","Stereochemistry removed"]
[1708,"CCC1CN2CCC1CC2C(O)c3c4cc(OC)ccc4ncc3\nCCC1CN2CCC1CC2C(O)c3ccnc4ccc(OC)cc34\n\n","CCC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O","OC(c2ccnc1ccc(OC)cc12)C3N4CCC(C3)C(C4)CC","",1,"HYDROQUININE(1)","522-66-7(1)","1984","High Reliability","Stereochemistry removed"]
[1709,"CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C\n\n\n","C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12","O=C4C=C3CCC2C(CCC1(C)(C2(CCC1(O)(C#C))))C3CC4","",1,"Norethindrone(1)","68-22-4(1)","261","High Reliability","Stereochemistry removed"]
[1710,"O=C(OC1CCCCC1)c2c(cccc2)C(=O)OC3CCCCC3\nO=C(OC1CCCCC1)c2ccccc2C(=O)OC3CCCCC3\n\n","O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1","O=C(OC1CCCCC1)c3ccccc3(C(=O)OC2CCCCC2)","",1,"DICYCLOHEXYL PHTHALATE(1)","84-61-7(1)","541","High Reliability"]
[1711,"CCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2\n\n\n","CCCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1","O=P(Oc1ccccc1)(Oc2ccccc2)OCCCCCCCC","",1,"octyldiphenylphosphate(1)","115-88-8(1)","1290","Medium Reliability","Name verified in PubChem"]
[1712,"CCCCC(CC)COP(=O)(Oc1ccccc1)Oc2ccccc2\n\n\n","CCCCC(COP(=O)(Oc1ccccc1)Oc1ccccc1)CC","O=P(Oc1ccccc1)(Oc2ccccc2)OCC(CC)CCCC","",1,"2-ETHYLHEXYL DIPHENYL PHOSPHATE(1)","1241-94-7(1)","2880","High Reliability"]
[1713,"CCOCCc1c(C)c(C)c(OCCN=c2[nH]cnc(CC)c2Cl)cc1\nCCOCCc1ccc(OCCNc2ncnc(CC)c2Cl)c(C)c1C\n\n","CCOCCc1ccc(c(c1C)C)OCCN=c1[nH]cnc(c1Cl)CC","N2=CNC(=NCCOc1ccc(c(c1C)C)CCOCC)C(=C2CC)Cl","",1,"PYRIMIDIFEN(1)","105779-78-0(1)","5493","High Reliability"]
[1714,"CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2CCCC2C(O)=O\n\n\n","CCOC(=O)C(NC(C(=O)N1CCCC1C(=O)O)C)CCc1ccccc1","O=C(O)C2N(C(=O)C(NC(C(=O)OCC)CCc1ccccc1)C)CCC2","",1,"Enalapril(1)","75847-73-3(1)","5217","High Reliability","Stereochemistry removed"]
[1715,"CC(C)c1cc2c(cc1)C3(C)CCCC(C)(C3CC2)C(O)=O\nCC(C)c1ccc2c(CCC3C(C)(CCCC23C)C(O)=O)c1\n\n","OC(=O)C1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C","O=C(O)C2(C)(CCCC3(c1ccc(cc1CCC23)C(C)C)(C))","",1,"Dehydroabietic acid(1)","1740-19-8(1)","2976","High Reliability","Stereochemistry removed"]
[1716,"CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1\n\n\n","CCCCOc1nc2ccccc2c(c1)C(=O)NCCN(CC)CC","O=C(NCCN(CC)CC)c2cc(nc1ccccc12)OCCCC","",1,"DIBUCAINE(1)","85-79-0(1)","565","High Reliability"]
[1717,"CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(C)C\n\n\n","CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C","O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(CCC(=O)OCC)C(C)C","",1,"BENFURACARB(1)","82560-54-1(1)","5280","High Reliability"]
[1718,"CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(O)=O)C2CC1\n\n\n","CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C","O=C(O)C2(C)(CCCC3(C)(C1C(C=C(CC1)C(C)C)=CCC23))","",1,"Abietic acid(1)","514-10-3(1)","1965","High Reliability","Stereochemistry removed"]
[1719,"CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC\nCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC\n\n","CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC","O=C(OCCCCCC)c1ccccc1(C(=O)OCCCCCC)","",1,"DIHEXYL PHTHALATE(1)","84-75-3(1)","547","High Reliability"]
[1720,"CC(CN1CC(C)OC(C)C1)Cc2ccc(cc2)C(C)(C)C\n\n\n","CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C","O1C(C)CN(CC1C)CC(C)Cc2ccc(cc2)C(C)(C)C","",2,"Fenpropimorph(2)","67306-03-0(1), 67564-91-4(1)","5079, 5085","High Reliability","Stereochemistry removed"]
[1721,"CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC\n\n\n","CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC","O=C(OC(C(=O)OCCCC)(CC(=O)OCCCC)CC(=O)OCCCC)C","",1,"ACETYL TRIBUTYL CITRATE(1)","77-90-7(1)","426","High Reliability"]
[1722,"OCC1CC(NC2C=C(CO)C(O)C(O)C2O)C(O)C(O)C1OC3OC(CO)C(O)C(O)C3O\n\n\n","OCC1CC(NC2C=C(CO)C(C(C2O)O)O)C(C(C1OC1OC(CO)C(C(C1O)O)O)O)O","OCC3=CC(NC2CC(CO)C(OC1OC(CO)C(O)C(O)C1(O))C(O)C2(O))C(O)C(O)C3(O)","",1,"Validamycin(1)","37248-47-8(1)","4642","High Reliability","Stereochemistry removed"]
[1723,"CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC\nCCCCC(CC)COC(=O)C=CC([O-])=O\n\n","CCCCC(COC(=O)C=CC(=O)OCC(CCCC)CC)CC","O=C(OCC(CC)CCCC)C=CC(=O)OCC(CC)CCCC","",1,"2-ethylhexylfumarate(1)","141-02-6(1)","1560","High Reliability","Stereochemistry removed, Name verified in PubChem"]
[1724,"CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2\n\n\n","CCCCN(C(=O)N1CCOCC1)CCN(C(=O)N1CCOCC1)CCCC","O=C(N1CCOCC1)N(CCN(C(=O)N2CCOCC2)CCCC)CCCC","",1,"Dimorpholamine(1)","119-48-2(1)","1339","High Reliability"]
[1725,"CCCCCCCCCCCCCCCCCCCC\n\n\n","CCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCC","",1,"EICOSANE(1)","112-95-8(1)","1267","High Reliability"]
[1726,"Fc1cccc(F)c1C(=O)NC(=O)Nc2c(F)cc(Oc3c(Cl)cc(cc3)C(F)(F)F)cc2\n\n\n","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F","O=C(NC(=O)c1c(F)cccc1(F))Nc3ccc(Oc2ccc(cc2Cl)C(F)(F)F)cc3(F)","",1,"Flufenoxuron(1)","101463-69-8(1)","5463","High Reliability"]
[1727,"c1ccc2c(ccc3nc4c(cc23)c5ccccc5cc4)c1\nc1ccc2c(ccc3c2cc4ccc5ccccc5c4n3)c1\nc1ccc2c(c1)ccc3nc4c(ccc5ccccc45)cc23\n","c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4","n3c5ccc1ccccc1c5(cc4ccc2ccccc2c34)","",1,"dibenz(a,h)acridine(1)","226-36-8(1)","1664","High Reliability","Name verified in PubChem"]
[1728,"Cc1cc2cccc3c2c4c(cc3)c5ccccc5cc14\nCc1cc2cccc3ccc4c5ccccc5cc1c4c23\n\n","Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3","c1ccc5c(c1)cc2c4c5(ccc3cccc(cc2C)c34)","",1,"BENZO[a]PYRENE, 5-METHYL-(1)","31647-36-6(1)","4527","High Reliability"]
[1729,"Cc1c2ccc3c4c(ccc(c5ccccc15)c24)ccc3\nCc1c2ccccc2c3ccc4cccc5ccc1c3c45\n\n","Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1","c1ccc5c(c1)c2ccc3cccc4ccc(c2c34)c5C","",1,"6-METHYLBENZO(A)PYRENE(1)","2381-39-7(1)","3184","High Reliability"]
[1730,"Cc1c2CCc3c4ccc5ccccc5c4cc(cc1)c23\nCc1ccc2cc3c(ccc4ccccc34)c5CCc1c25\n\n","Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1","c1ccc5c(c1)ccc3c5(cc2ccc(c4c2c3CC4)C)","",1,"3-METHYLCHOLANTHRENE(1)","56-49-5(1)","99","High Reliability"]
[1731,"[Br-].CC[n+]1c(-c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14\n[Br-].CC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1-c4ccccc4\n\n","CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2","Nc3ccc4c1ccc(N)cc1[n+](c(c2ccccc2)c4(c3))CC","",1,"Homidium bromide(1)","1239-45-8(1)","2879","High Reliability"]
[1732,"COc1cc2c(cc1)n(C(=O)C=Cc3ccccc3)c(C)c2CC(O)=O\nCOc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)C=Cc3ccccc3\n\n","COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)C=Cc1ccccc1)C","O=C(O)Cc3c1cc(OC)ccc1n(C(=O)C=Cc2ccccc2)c3C","",1,"Cinmetacin(1)","20168-99-4(1)","4250","High Reliability","Stereochemistry removed"]
[1733,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2cc(Oc3ccccc3)ccc2\n\n\n","ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl","O=C(OCc2cccc(Oc1ccccc1)c2)C3C(C=C(Cl)Cl)C3(C)(C)","",1,"PERMETHRIN(1)","52645-53-1(1)","4837","Medium Reliability","Stereochemistry removed"]
[1734,"COc1cc(cc(OC)c1O)C2C3C(COC3=O)Cc4c(O)c5c(OCO5)cc24\n\n\n","COc1cc(cc(c1O)OC)C1C2C(=O)OCC2Cc2c1cc1OCOc1c2O","O=C3OCC4Cc1c(O)c5OCOc5(cc1C(c2cc(OC)c(O)c(OC)c2)C34)","",1,"alpha-Peltatin(1)","568-53-6(1)","2199","High Reliability","Stereochemistry removed"]
[1735,"CN(C)C1C2CC3C(O)c4c(c(O)ccc4Cl)C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O\nCN(C)C1C2CC3C(O)c4c(Cl)ccc(O)c4C(=C3C(=O)C2(O)C(=O)C(=C(N)O)C1=O)O\n[Cl-].CN(C)C1C2CC3C(O)c4c(Cl)ccc(O)c4C(=C3C(=O)C2(O)C(=O)C(=C(N)O)C1=O)O.[H+]\n","CN(C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1O)c(Cl)ccc2O)O)O)C","O=C(N)C=3C(=O)C4(O)(C(O)=C2C(=O)c1c(O)ccc(c1C(O)C2CC4(C(C=3(O))N(C)C))Cl)","",1,"Demeclocycline(1)","127-33-3(1)","1473","High Reliability","Differences in counterions, Stereochemistry removed"]
[1736,"COc1c(OC)c2c(cc1)C(OC2=O)C3N(C)CCc4c3cc5OCOc5c4\nCOc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5cc34\n\n","COc1c(OC)ccc2c1C(=O)OC2C1N(C)CCc2c1cc1OCOc1c2","O=C1OC(c2ccc(OC)c(OC)c12)C4c3cc5OCOc5(cc3CCN4(C))","",1,"HYDRASTINE(1)","118-08-1(1)","1316","High Reliability","Stereochemistry removed"]
[1737,"Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3)cc1\n\n\n","Cc1ccc(cc1)OP(=O)(Oc1ccc(cc1)C)Oc1ccc(cc1)C","O=P(Oc1ccc(cc1)C)(Oc2ccc(cc2)C)Oc3ccc(cc3)C","",1,"TRI-P-CRESYL PHOSPHATE(1)","78-32-0(1)","433","Medium Reliability"]
[1738,"[H]C12CC3([H])C4=CCOC5([H])CC(=O)N6c7c(cccc7)C1(CCN2C4)C6([H])C35[H]\nO=C1CC2OCC=C3CN4CCC56C4CC3C2C5N1c7ccccc67\n\n","O=C1CC2OCC=C3C4C2C2N1c1ccccc1C12CCN(C1C4)C3","O=C2N6c1ccccc1C57(CCN4CC3=CCOC(C2)C(C3CC45)C67)","",1,"STRYCHNINE(1)","57-24-9(1)","122","High Reliability","Stereochemistry removed"]
[1739,"OCC1OC(C(O)C(O)C1O)C2c3cccc(O)c3C(=O)c4c2cc(CO)cc4O\nOCC1OC(C(O)C(O)C1O)C2c3cccc(O)c3C(=O)c4c(O)cc(CO)cc24\n\n","OCc1cc(O)c2c(c1)C(C1OC(CO)C(C(C1O)O)O)c1c(C2=O)c(O)ccc1","O=C2c1c(O)cccc1C(c3cc(cc(O)c23)CO)C4OC(CO)C(O)C(O)C4(O)","",1,"ALOIN(1)","1415-73-2(1)","2898","Medium Reliability","Stereochemistry removed"]
[1740,"OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3\n\n\n","Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Br","O=C(c1ccc(F)cc1)CCCN3CCC(O)(c2ccc(cc2)Br)CC3","",1,"Bromperidol(1)","10457-90-6(1)","3922","High Reliability"]
[1741,"OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3\n\n\n","Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl","O=C(c1ccc(F)cc1)CCCN3CCC(O)(c2ccc(cc2)Cl)CC3","",1,"HALOPERIDOL(1)","52-86-8(1)","66","High Reliability"]
[1742,"CCCCCOC(=O)COc1c(Cl)cc(F)c(c1)N2C(=O)C3=C(CCCC3)C2=O\n\n\n","CCCCCOC(=O)COc1cc(c(cc1Cl)F)N1C(=O)C2=C(C1=O)CCCC2","O=C(OCCCCC)COc1cc(c(F)cc1Cl)N2C(=O)C3=C(C2(=O))CCCC3","",1,"FLUMICLORAC-PENTYL(1)","87546-18-7(1)","5319","High Reliability"]
[1743,"CCOc1c(ccc(c1)C(C)(C)C)C2COC(=N2)c3c(F)cccc3F\nCCOc1cc(ccc1C2COC(=N2)c3c(F)cccc3F)C(C)(C)C\n\n","CCOc1cc(ccc1C1COC(=N1)c1c(F)cccc1F)C(C)(C)C","Fc1cccc(F)c1C3=NC(c2ccc(cc2(OCC))C(C)(C)C)CO3","",1,"ETOXAZOLE(1)","153233-91-1(1)","5728","High Reliability"]
[1744,"OC1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C#N)CC1\n\n\n","N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1","N#Cc1ccc3c(c1)N(c2ccccc2S3)CCCN4CCC(O)CC4","",1,"PERICYAZINE(1)","2622-26-6(1)","3256","High Reliability"]
[1745,"CN1CCC23C4Oc5c(OC(C)=O)ccc(CC1C2C=CC4OC(C)=O)c35\n\n\n","CC(=O)OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1OC(=O)C","O=C(Oc5ccc4c1c5(OC2C(OC(=O)C)C=CC3C(N(C)CCC123)C4))C","",1,"HEROIN(1)","561-27-3(1)","2174","High Reliability","Stereochemistry removed"]
[1746,"OCCN1CCN(CCCN2c3ccccc3Sc4c2cc(Cl)cc4)CC1\nOCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1\n\n","OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2","OCCN1CCN(CC1)CCCN4c2ccccc2Sc3ccc(cc34)Cl","",1,"PERPHENAZINE(1)","58-39-9(1)","151","High Reliability"]
[1747,"CC12CC(O)C3(F)C(CCC4=CC(=O)C=CC34C)C1CC(O)C2(O)C(=O)CO\n\n\n","OCC(=O)C1(O)C(O)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F","O=C1C=CC3(C(=C1)CCC2C4CC(O)C(O)(C(=O)CO)C4(C)(CC(O)C23(F)))(C)","",1,"TRIAMCINOLONE(1)","124-94-7(1)","1455","High Reliability","Stereochemistry removed"]
[1748,"CCCCSC(SCc1ccc(cc1)C(C)(C)C)=Nc2cnccc2\n\n\n","CCCCSC(=Nc1cccnc1)SCc1ccc(cc1)C(C)(C)C","n2cccc(N=C(SCc1ccc(cc1)C(C)(C)C)SCCCC)c2","",1,"BUTHIOBATE(1)","51308-54-4(1)","4809","High Reliability"]
[1749,"[H]C12CCC(O)(C#C)C1(CC)CCC3([H])C4([H])CCC(=O)C=C4CCC23[H]\nCCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C\n\n","C#CC1(O)CCC2C1(CC)CCC1C2CCC2=CC(=O)CCC12","O=C4C=C3CCC2C(CCC1(CC)(C2(CCC1(O)(C#C))))C3CC4","",1,"Norgestrel(1)","6533-00-2(1)","3764","Medium Reliability","Stereochemistry removed"]
[1750,"[H]C12CCC(O)(C#C)C1(C)CCC3([H])C2([H])CCC4=CC(=O)CCC34C\nCC12CCC(=O)C=C1CCC3C2CCC4(C)C3CCC4(O)C#C\n\n","C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C","O=C4C=C3CCC2C(CCC1(C)(C2(CCC1(O)(C#C))))C3(C)CC4","",1,"Ethisterone(1)","434-03-7(1)","1779","High Reliability","Stereochemistry removed"]
[1751,"CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=CC=C)=C2C)C1(C)C\n\n\n","C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C","O=C(OC1C(=C(C(=O)C1)CC=CC=C)C)C2C(C=C(C)C)C2(C)(C)","",1,"PYRETHRIN I(1)","121-21-1(1)","1369","High Reliability","Stereochemistry removed"]
[1752,"CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO\nCC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO\n\n","OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C","O=C1C=CC3(C(=C1)CCC2C4CCC(O)(C(=O)CO)C4(C)(CC(O)C23))(C)","",2,"PREDNISOLONE(1), CORTISONE(1)","50-24-8(1), 53-06-5(1)","13, 68","High Reliability","Stereochemistry removed"]
[1753,"CC12CCC(=O)C=C1CCC3C4CCC(C(=O)CO)C4(CC(O)C23)C=O\n\n\n","OCC(=O)C1CCC2C1(C=O)CC(O)C1C2CCC2=CC(=O)CCC12C","O=CC34(CC(O)C2C(CCC1=CC(=O)CCC12(C))C4(CCC3(C(=O)CO)))","",1,"ALDOSTERONE(1)","52-39-1(1)","60","High Reliability","Stereochemistry removed"]
[1754,"[H]C12CCC(C(C)=O)C1(C)CCC3([H])C2([H])CCC4=CC(=O)CCC34C\nCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C\n\n","O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2C(=O)C)C)C","O=C4C=C3CCC1C(CCC2(C)(C(C(=O)C)CCC12))C3(C)CC4","",1,"PROGESTERONE(1)","57-83-0(1)","138","High Reliability","Stereochemistry removed"]
[1755,"CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C\n\n\n","O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2(O)C(=O)C)C)C","O=C4C=C3CCC2C(CCC1(C)(C2(CCC1(O)(C(=O)C))))C3(C)CC4","",1,"17-ALPHA-HYDROXYPROGESTERONE(1)","68-96-2(1)","264","High Reliability","Stereochemistry removed"]
[1756,"CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO\n\n\n","OCC(=O)C1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C","O=C4C=C3CCC1C(CCC2(C)(C(C(=O)CO)CCC12))C3(C)CC4","",1,"DEOXYCORTICOSTERONE(1)","64-85-7(1)","232","High Reliability","Stereochemistry removed"]
[1757,"CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO\n\n\n","OCC(=O)C1CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C","O=C3C=C2CCC1C4CCC(C(=O)CO)C4(C)(CC(O)C1C2(C)CC3)","",1,"CORTICOSTERONE(1)","50-22-6(1)","11","High Reliability","Stereochemistry removed"]
[1758,"CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO\n\n\n","OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C","O=C3C=C2CCC1C4CCC(O)(C(=O)CO)C4(C)(CC(O)C1C2(C)CC3)","",1,"HYDROCORTISONE(1)","50-23-7(1)","12","High Reliability","Stereochemistry removed"]
[1759,"NCCCCC(NC(CCc1ccccc1)C(O)=O)C(=O)N2CCCC2C(O)=O\nO.O.NCCCCC(NC(CCc1ccccc1)C(O)=O)C(=O)N2CCCC2C(O)=O\n\n","NCCCCC(C(=O)N1CCCC1C(=O)O)NC(C(=O)O)CCc1ccccc1","O=C(O)C(NC(C(=O)N1CCCC1(C(=O)O))CCCCN)CCc2ccccc2","",1,"LISINOPRIL(1)","83915-83-7(1)","5297","High Reliability","Differences in counterions, Stereochemistry removed"]
[1760,"CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C\n\n\n","OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(=O)C)C)C1)C","O=C(C)C2CCC3C4CC=C1CC(O)CCC1(C)C4(CCC23(C))","",1,"PREGNENOLONE(1)","145-13-1(1)","1607","High Reliability","Stereochemistry removed"]
[1761,"CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC\n\n\n","CCCCCC(=O)OC(COC(=O)CCCCC)COC(=O)CCCCC","O=C(OCC(OC(=O)CCCCC)COC(=O)CCCCC)CCCCC","",1,"TRICAPROIN(1)","621-70-5(1)","2481","High Reliability"]
[1762,"c1cc-2c(cc1)-c3c4c2cc5c6c(ccc(cc3)c46)ccc5\nc1ccc-2c(c1)-c3ccc4ccc5cccc6cc2c3c4c56\n\n","c1ccc2c(c1)c1cc3cccc4c3c3c1c2ccc3cc4","c1ccc2c(c1)c3ccc4ccc5cccc6cc2c3c4c56","",1,"INDENO(1,2,3-CD)PYRENE(1)","193-39-5(1)","1644","High Reliability"]
[1763,"c1cc2c3c(c1)c4c5c(ccc6c5c3c(cc2)cc6)ccc4\nc1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56\n\n","c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2","c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56","",1,"BENZO(GHI)PERYLENE(1)","191-24-2(1)","1642","High Reliability"]
[1764,"c1ccc2cc3c4ccccc4c5ccccc5c3cc2c1\n\n\n","c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2","c2ccc3cc4c5ccccc5(c1ccccc1c4(cc3(c2)))","",1,"1,2,3,4-DIBENZANTHRACENE(1)","215-58-7(1)","1656","High Reliability"]
[1765,"c1ccc2c(ccc3c4ccc5ccccc5c4ccc23)c1\nc1ccc2c(c1)ccc3c2ccc4c5ccccc5ccc34\n\n","c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1","c1ccc5c(c1)ccc3c5(ccc2c4ccccc4(ccc23))","",1,"PICENE(1)","213-46-7(1)","1655","High Reliability"]
[1766,"c1ccc2c(ccc3cc4c(cc23)c5ccccc5cc4)c1\nc1ccc2c(c1)ccc3cc4ccc5ccccc5c4cc23\n\n","c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1","c1ccc4c(c1)ccc3cc5ccc2ccccc2c5(cc34)","",1,"DIBENZ(A,J)ANTHRACENE(1)","224-41-9(1)","1659","High Reliability"]
[1767,"c1cc2ccc3cc4c(ccc5ccccc45)cc3c2cc1\n\n\n","c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4","c1ccc5c(c1)ccc4cc3c(ccc2ccccc23)cc45","",1,"DIBENZ(A,H)ANTHRACENE(1)","53-70-3(1)","73","High Reliability"]
[1768,"Oc1ccc(cc1)N=Nc2c3ccccc3c(cc2)N=Nc4ccccc4\nO=C1C=CC(C=C1)=NNc2ccc(N=Nc3ccccc3)c4ccccc24\n\n","Oc1ccc(cc1)N=Nc1ccc(c2c1cccc2)N=Nc1ccccc1","Oc4ccc(N=Nc2ccc(N=Nc1ccccc1)c3ccccc23)cc4","",1,"C.I. DISPERSE ORANGE 13(1)","6253-10-7(1)","3721","High Reliability","Organic counterion"]
[1769,"CCOC(=O)C(c1c(O)c2c(oc1=O)cccc2)c3c(O)c4c(oc3=O)cccc4\nCCOC(=O)C(c1c(O)oc2ccccc2c1=O)c3c(O)oc4ccccc4c3=O\n\n","CCOC(=O)C(c1c(=O)oc2c(c1O)cccc2)c1c(=O)oc2c(c1O)cccc2","O=C1Oc4ccccc4(C(O)=C1C(C(=O)OCC)C=2C(=O)Oc3ccccc3(C=2(O)))","",1,"Ethyl biscoumacetate(1)","548-00-5(1)","2117","High Reliability"]
[1770,"COC=C(C(=O)OC)c1ccccc1Oc2cc(Oc3ccccc3C#N)ncn2\n\n\n","COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC","N#Cc3ccccc3(Oc2ncnc(Oc1ccccc1C(=COC)C(=O)OC)c2)","",1,"Azoxystrobin(1)","131860-33-8(1)","5679","High Reliability","Stereochemistry removed"]
[1771,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2ccc(F)c(Oc3ccccc3)c2\n\n\n","N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl","N#CC(OC(=O)C1C(C=C(Cl)Cl)C1(C)(C))c3ccc(F)c(Oc2ccccc2)c3","",1,"CYFLUTHRIN(1)","68359-37-5(1)","5110","High Reliability"]
[1772,"CC1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)cc3\n\n\n","O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1","O=C4OC(c2ccc(Oc1ccccc1)cc2)(C(=O)N4(Nc3ccccc3))C","",1,"Famoxadone(1)","131807-57-3(1)","5678","High Reliability"]
[1773,"CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2\n\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br","N#CC(OC(=O)C1C(C=C(Br)Br)C1(C)(C))c3cccc(Oc2ccccc2)c3","",1,"DELTAMETHRIN(1)","52918-63-5(1)","4865","Medium Reliability","Stereochemistry removed"]
[1774,"CC1(C)C(C(Br)C(Br)(Br)Br)C1C(=O)OC(C#N)c2cc(Oc3ccccc3)ccc2\nCC1(C)C(C(Br)C(Br)(Br)Br)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C(C(Br)(Br)Br)Br","N#CC(OC(=O)C1C(C(C(Br)(Br)Br)Br)C1(C)(C))c3cccc(Oc2ccccc2)c3","",1,"TRALOMETHRIN(1)","66841-25-6(1)","5068","High Reliability","Stereochemistry removed"]
[1775,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2\n\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl","N#CC(OC(=O)C1C(C=C(Cl)Cl)C1(C)(C))c3cccc(Oc2ccccc2)c3","",2,"CYPERMETHRIN(1), alpha-Cypermethrin(1)","52315-07-8(1), 67375-30-8(1)","4831, 5082","Medium Reliability","Stereochemistry removed"]
[1776,"CCCCc1c2c(ccc3ccccc23)cc4ccccc14\nCCCCc1c2ccccc2cc3ccc4ccccc4c13\n\n","CCCCc1c2ccccc2cc2c1c1ccccc1cc2","c1ccc4c(c1)ccc3cc2ccccc2c(c34)CCCC","",1,"12-BUTYL-BENZ[A]ANTHRACENE(1)","93037-15-1(1)","5382","Medium Reliability"]
[1777,"Cn1nc(C)c(C(=O)c2c(Cl)c(C)c(Cl)cc2)c1OCC(=O)c3ccc(C)cc3\nCn1nc(C)c(C(=O)c2ccc(Cl)c(C)c2Cl)c1OCC(=O)c3ccc(C)cc3\n\n","Cc1ccc(cc1)C(=O)COc1n(C)nc(c1C(=O)c1ccc(c(c1Cl)C)Cl)C","O=C(c1ccc(c(c1Cl)C)Cl)c3c(nn(c3(OCC(=O)c2ccc(cc2)C))C)C","",1,"Benzofenap(1)","82692-44-2(1)","5283","High Reliability"]
[1778,"Cc1c2C(=O)c3c(c(O)c(O)c(C4OC(CO)C(O)C(O)C4O)c3O)C(=O)c2cc(O)c1C(O)=O\nCc1c(C(O)=O)c(O)cc2C(=O)c3c(O)c(O)c(C4OC(CO)C(O)C(O)C4O)c(O)c3C(=O)c12\nCc1c(C(O)=O)c(O)cc2C(=O)c3c(O)c(O)c(C4OC(CO)C(O)C(O)C4O)c(O)c3C(=O)c12\n","OCC1OC(C(C(C1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O","O=C(O)c2c(O)cc1C(=O)c3c(O)c(O)c(c(O)c3(C(=O)c1c2C))C4OC(CO)C(O)C(O)C4(O)","",2,"CARMINIC ACID(1), CARMINE(1)","1260-17-9(1), 1390-65-4(1)","2882, 2896","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1779,"CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCC4CCCO4\n\n\n","Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C","O=C(OCC1OCCC1)C(Oc4ccc(Oc2nc3ccc(cc3(nc2))Cl)cc4)C","",1,"QUIZALOFOP-P-TEFURYL(1)","119738-06-6(1)","5635","High Reliability"]
[1780,"CC(Oc1ccc(Oc2nc3c(cc(Cl)cc3)nc2)cc1)C(=O)OCCON=C(C)C\nCC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCCON=C(C)C\n\n","O=C(C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCON=C(C)C","O=C(OCCON=C(C)C)C(Oc3ccc(Oc1nc2ccc(cc2(nc1))Cl)cc3)C","",1,"PROPAQUIZAFOP(1)","111479-05-1(1)","5561","High Reliability","Stereochemistry removed"]
[1781,"Fc1ccc(cc1)C(=O)C2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2\n\n\n","Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2","O=C1Nc4ccccc4(C(=O)N1CCN3CCC(C(=O)c2ccc(F)cc2)CC3)","",1,"Ketanserin(1)","74050-98-9(1)","5188","High Reliability"]
[1782,"CN(C)C1C2C(O)C3C(=C)c4c(c(O)ccc4)C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O\nCN(C)C1C2C(O)C3C(=C)c4cccc(O)c4C(=C3C(=O)C2(O)C(=O)C(=C(N)O)C1=O)O\n\n","CN(C1C(=C(C(=O)N)C(=O)C2(C1C(O)C1C(=C)c3cccc(c3C(=O)C1=C2O)O)O)O)C","O=C(N)C=2C(=O)C3(O)(C(O)=C1C(=O)c4c(O)cccc4(C(=C)C1C(O)C3(C(C=2(O))N(C)C)))","",1,"Methacycline(1)","914-00-1(1)","2737","High Reliability","Stereochemistry removed"]
[1783,"COc1cc(cc(OC)c1OC)C2C3C(COC3=O)Cc4c(O)c5c(OCO5)cc24\n\n\n","COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2Cc2c1cc1OCOc1c2O","O=C3OCC4Cc1c(O)c5OCOc5(cc1C(c2cc(OC)c(OC)c(OC)c2)C34)","",1,"beta-Peltatin(1)","518-29-6(1)","1977","High Reliability","Stereochemistry removed"]
[1784,"COc1cc(cc(OC)c1OC)C2C3C(COC3=O)C(O)c4cc5c(OCO5)cc24\n\n\n","COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O","O=C3OCC4C(O)c1cc5OCOc5(cc1C(c2cc(OC)c(OC)c(OC)c2)C34)","",1,"Picropodophyllin(1)","477-47-4(1)","1839","High Reliability","Stereochemistry removed"]
[1785,"CN(C)C1C2CC3C(=C(O)C2(O)C(=O)C(C(N)=O)=C1O)C(=O)c4c(c(Cl)ccc4O)C3(C)O\n[Cl-].CN(C)C1C2CC3C(=C(O)c4c(O)ccc(Cl)c4C3(C)O)C(=O)C2(O)C(=O)C(=C(N)O)C1=O.[H+]\n\n","CN(C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)c(Cl)ccc2O)O)O)C","O=C(N)C=3C(=O)C4(O)(C(O)=C2C(=O)c1c(O)ccc(c1C(O)(C)C2CC4(C(C=3(O))N(C)C))Cl)","",1,"AUREOMYCIN(1)","57-62-5(1)","133","High Reliability","Differences in counterions, Stereochemistry removed"]
[1786,"CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C\n\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C","N#CC(OC(=O)C1C(C)(C)C1(C)(C))c3cccc(Oc2ccccc2)c3","",2,"FENPROPATHRIN(1), Fenpropathrin(1)","39515-41-8(1), 64257-84-7(1)","4714, 5036","High Reliability"]
[1787,"COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4c3c(OC)c5OCOc5c4\nCOc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5c(OC)c34\n\n","COc1ccc2c(c1OC)C(=O)OC2C1N(C)CCc2c1c(OC)c1c(c2)OCO1","O=C1OC(c2ccc(OC)c(OC)c12)C4c3c(OC)c5OCOc5(cc3CCN4(C))","",2,"Noscapine(1), NARCOTINE(1)","128-62-1(1), 6035-40-1(1)","1488, 3692","High Reliability","Stereochemistry removed"]
[1788,"OC(=O)C(CSSCC(NC(=O)Cc1ccccc1)C(O)=O)NC(=O)Cc2ccccc2\n\n\n","OC(=O)C(NC(=O)Cc1ccccc1)CSSCC(C(=O)O)NC(=O)Cc1ccccc1","O=C(O)C(NC(=O)Cc1ccccc1)CSSCC(NC(=O)Cc2ccccc2)C(=O)O","",1,"N,N'-bis-Phenylacetyl-cystine(1)","2752-39-8(1)","3281","Medium Reliability","Stereochemistry removed"]
[1789,"[H]C12CC3([H])C(=C(O)C1(O)C(=O)C(C(N)=O)=C(O)C2N(C)C)C(=O)c4c(cccc4O)C3(C)O\nCN(C)C1C2CC3C(=C(O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=O)C(=C(N)O)C1=O\n\n","CN(C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)cccc2O)O)O)C","O=C(N)C=3C(=O)C4(O)(C(O)=C2C(=O)c1c(O)cccc1C(O)(C)C2CC4(C(C=3(O))N(C)C))","",1,"TETRACYCLINE(1)","60-54-8(1)","191","High Reliability","Stereochemistry removed"]
[1790,"CC1C2C(O)C3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C2C(=O)c4c1cccc4O\nCC1C2C(O)C3C(N(C)C)C(=O)C(=C(N)O)C(=O)C3(O)C(=O)C2=C(O)c4c(O)cccc14\nO.O.[Cl-].CC1C2C(O)C3C(N(C)C)C(=O)C(=C(N)O)C(=O)C3(O)C(=O)C2=C(O)c4c(O)cccc14.[H+]\n","CN(C1C(=C(C(=O)N)C(=O)C2(C1C(O)C1C(C)c3cccc(c3C(=O)C1=C2O)O)O)O)C","O=C(N)C=3C(=O)C4(O)(C(O)=C2C(=O)c1c(O)cccc1C(C)C2C(O)C4(C(C=3(O))N(C)C))","",1,"VIBRAMYCIN(1)","564-25-0(1)","2185","High Reliability","Differences in counterions, Stereochemistry removed"]
[1791,"COc1cc2c(c(OC)c1OC)-c3ccc(OC)c(=O)cc3C(CC2)NC(C)=O\nCOc1ccc-2c(cc1=O)C(CCc3cc(OC)c(OC)c(OC)c23)NC(C)=O\n\n","COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1C(CC2)NC(=O)C)OC","O=C1C=C3C(=CC=C1(OC))c2c(OC)c(OC)c(OC)cc2CCC3(NC(=O)C)","",1,"COLCHICINE(1)","64-86-8(1)","233","High Reliability","Stereochemistry removed"]
[1792,"OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1\n\n\n","OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F","FC(F)(F)c1ccc3c(c1)N(c2ccccc2S3)CCCN4CCN(CCO)CC4","",1,"FLUPHENAZINE(1)","69-23-8(1)","265","High Reliability"]
[1793,"COc1ccc(cc1)C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O\n\n\n","COc1ccc(cc1)C1Sc2ccccc2N(C(=O)C1OC(=O)C)CCN(C)C","O=C(OC3C(=O)N(c1ccccc1SC3(c2ccc(OC)cc2))CCN(C)C)C","",1,"Diltiazem(1)","42399-41-7(1)","4759","High Reliability","Stereochemistry removed"]
[1794,"CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C\n\n\n","CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C","O=C(OCc1coc(c1)Cc2ccccc2)C3C(C=C(C)C)C3(C)(C)","",2,"RESMETHRIN(1), BIORESMETHRIN(1)","10453-86-8(1), 28434-01-7(1)","3921, 4463","High Reliability","Stereochemistry removed"]
[1795,"CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO\n\n\n","OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F","O=C1C=CC3(C(=C1)C(F)CC2C4CC(C)C(O)(C(=O)CO)C4(C)(CC(O)C23(F)))(C)","",1,"FLUMETHASONE(1)","2135-17-3(1)","3103","High Reliability","Stereochemistry removed"]
[1796,"CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c3ccccc3\n\n\n","CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1","O=C(N(c1ccccc1)C3CCN(CCc2ccccc2)CC3)CC","",1,"FENTANYL(1)","437-38-7(1)","1783","High Reliability"]
[1797,"CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C\n\n\n","CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C","O=C(NN(C(=O)c1cc(cc(c1)C)C)C(C)(C)C)c2ccc(cc2)CC","",1,"TEBUFENOZIDE(1)","112410-23-8(1)","5572","High Reliability"]
[1798,"COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C\n\n\n","COc1cccc(c1C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C","O=C(NN(C(=O)c1cc(cc(c1)C)C)C(C)(C)C)c2cccc(OC)c2C","",1,"rh-2485(1)","161050-58-4(1)","5748","Medium Reliability","Name verified in PubChem"]
[1799,"CON(C)C(=O)Nc1ccc(Oc2ccc3c(OC(C)(CC3(C)C)OC)c2)cc1\n\n\n","CON(C(=O)Nc1ccc(cc1)Oc1ccc2c(c1)OC(CC2(C)C)(C)OC)C","O=C(Nc3ccc(Oc2ccc1c(OC(OC)(C)CC1(C)C)c2)cc3)N(OC)C","",1,"Metobenzuron(1)","111578-32-6(1)","5562","High Reliability","Checked on PubChem, Checked on ChemID"]
[1800,"OCCNCCNc1ccc(NCCNCCO)c2c1C(=O)c3c(c(O)ccc3O)C2=O\nCl.Cl.OCCNCCNc1ccc(NCCNCCO)c2c1C(=O)c3c(c(O)ccc3O)C2=O\n[H+].[H+].[Cl-].[Cl-].OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12\n","OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO","O=C1c3c(O)ccc(O)c3(C(=O)c2c(ccc(NCCNCCO)c12)NCCNCCO)","",1,"Novantrone(1)","70476-82-3(1)","5143","High Reliability","Differences in counterions"]
[1801,"CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4C3CCC12C)C#C\n\n\n","C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)OC(=O)C","O=C(OC3(C#C)(CCC2C4CCC1=CC(=O)CCC1C4(CCC23(C))))C","",1,"Norethindrone acetate(1)","51-98-9(1)","55","High Reliability","Stereochemistry removed"]
[1802,"COC(=O)C(C)=CC1C(C(=O)OC2CC(=O)C(CC=CC=C)=C2C)C1(C)C\n\n\n","C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C","O=C(OC)C(=CC2C(C(=O)OC1C(=C(C(=O)C1)CC=CC=C)C)C2(C)(C))C","",1,"PYRETHRIN II(1)","121-29-9(1)","1370","High Reliability","Stereochemistry removed"]
[1803,"[H]C12CC(C)C(C(=O)CO)C1(C)CC(O)C3([H])C2([H])CC(F)C4=CC(=O)C=CC34C\nCC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)CO\n\n","OCC(=O)C1C(C)CC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)F","O=C1C=CC3(C(=C1)C(F)CC2C4CC(C)C(C(=O)CO)C4(C)(CC(O)C23))(C)","",1,"Fluocortolone(1)","152-97-6(1)","1635","High Reliability","Stereochemistry removed"]
[1804,"CC1CC2C3CCC(O)(C(C)=O)C3(C)CC(O)C2(F)C4(C)C=CC(=O)C=C14\n\n\n","O=C1C=CC2(C(=C1)C(C)CC1C2(F)C(O)CC2(C1CCC2(O)C(=O)C)C)C","O=C1C=CC3(C(=C1)C(C)CC2C4CCC(O)(C(=O)C)C4(C)(CC(O)C23(F)))(C)","",1,"FLUOROMETHALONE(1)","426-13-1(1)","1776","High Reliability","Stereochemistry removed"]
[1805,"[H]C12CC(C)C(O)(C(=O)CO)C1(C)CC(O)C3(F)C2([H])CCC4=CC(=O)C=CC34C\nCC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO\n\n","OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F","O=C1C=CC3(C(=C1)CCC2C4CC(C)C(O)(C(=O)CO)C4(C)(CC(O)C23(F)))(C)","",2,"DEXAMETHASONE(1), BETAMETHASONE(1)","50-02-2(1), 378-44-9(1)","2, 1766","High Reliability","Stereochemistry removed"]
[1806,"CCC(=O)OC(Cc1ccccc1)(C(C)CN(C)C)c2ccccc2\n\n\n","CCC(=O)OC(c1ccccc1)(C(CN(C)C)C)Cc1ccccc1","O=C(OC(c1ccccc1)(Cc2ccccc2)C(C)CN(C)C)CC","",1,"PROPOXYPHENE(1)","469-62-5(1)","1822","High Reliability","Stereochemistry removed"]
[1807,"Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1\nNC(Nc1ccc(Cl)cc1)=NC(N)=NCCCCCCN=C(N)N=C(N)Nc2ccc(Cl)cc2\n\n","N=C(NC(=N)Nc1ccc(cc1)Cl)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl","N=C(Nc1ccc(cc1)Cl)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(cc2)Cl","",1,"CHLORHEXIDINE(1)","55-56-1(1)","84","High Reliability"]
[1808,"CCC12CCCN3CCC4(C(CC1)N(C(C)=O)c5c4cccc5OC)C23\nCCC12CCCN3CCC4(C(CC1)N(C(C)=O)c5c(OC)cccc45)C23\n\n","CCC12CCCN3C2C2(C(CC1)N(c1c2cccc1OC)C(=O)C)CC3","O=C(N2c1c(OC)cccc1C35(CCN4CCCC(CC)(CCC23)C45))C","",1,"Aspidospermine(1)","466-49-9(1)","1819","High Reliability","Stereochemistry removed"]
[1809,"CCC(=O)N(c1ccccc1)C2(COC)CCN(CCc3cccs3)CC2\n\n\n","COCC1(CCN(CC1)CCc1cccs1)N(c1ccccc1)C(=O)CC","O=C(N(c1ccccc1)C3(COC)(CCN(CCc2cccs2)CC3))CC","",1,"SUFENTANIL(1)","56030-54-7(1)","4925","High Reliability"]
[1810,"CC1CC2C3CCC(O)(C(=O)CO)C3(C)CC(O)C2C4(C)C=CC(=O)C=C14\n\n\n","OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C","O=C1C=CC3(C(=C1)C(C)CC2C4CCC(O)(C(=O)CO)C4(C)(CC(O)C23))(C)","",1,"Methylprednisolone(1)","83-43-2(1)","524","High Reliability","Stereochemistry removed"]
[1811,"CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C\n\n\n","CCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C","O=C(OC2CCC3C4CCC1=CC(=O)CCC1(C)C4(CCC23(C)))CC","",1,"TESTOSTERONE PROPIONATE(1)","57-85-2(1)","139","High Reliability","Stereochemistry removed"]
[1812,"CC(=O)OC1C2CCC3C(C)(O)C4CC(O)C(C)(C)C4(O)C(O)CC13CC2(C)O\n\n\n","CC(=O)OC1C2CCC3C1(CC(O)C1(C(C3(C)O)CC(C1(C)C)O)O)CC2(C)O","O=C(OC2C1CCC3C(O)(C)C4CC(O)C(C)(C)C4(O)(C(O)CC23(CC1(O)(C))))C","",1,"ANDROMEDOTOXIN(1)","4720-09-6(1)","3525","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1813,"CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC\n\n\n","CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC","O=C(OCCCCCCCC)CCCCC(=O)OCCCCCCCC","",1,"DIOCTYL ADIPATE(1)","123-79-5(1)","1426","High Reliability"]
[1814,"CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC\n\n\n","CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC","O=C(OCC(CC)CCCC)CCCCC(=O)OCC(CC)CCCC","",1,"DI-2-ETHYLHEXYL ADIPATE(1)","103-23-1(1)","927","High Reliability"]
[1815,"NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC3OC(CO)C(O)C(N)C3O\n\n\n","NCCC(C(=O)NC1CC(N)C(C(C1OC1OC(CO)C(C(C1O)N)O)O)OC1OC(CN)C(C(C1O)O)O)O","O=C(NC3CC(N)C(OC1OC(CN)C(O)C(O)C1(O))C(O)C3(OC2OC(CO)C(O)C(N)C2(O)))C(O)CCN","",1,"AMIKACIN(1)","37517-28-5(1)","4645","High Reliability","Stereochemistry removed"]
[1816,"CCCCCCCCCCCCCCCCCCCCCC(O)=O\n\n\n","CCCCCCCCCCCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCCCCCCCCCC","",1,"DOCOSANOIC ACID(1)","112-85-6(1)","1265","High Reliability"]
[1817,"Nc1c(cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)c(cc2)S(O)(=O)=O)c4c1C(=O)c5ccccc5C4=O)S(O)(=O)=O\n\n\n","Clc1nc(Cl)nc(n1)Nc1cc(ccc1S(=O)(=O)O)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O","O=C1c5ccccc5(C(=O)c2c(cc(c(N)c12)S(=O)(=O)O)Nc3ccc(c(c3)Nc4nc(nc(n4)Cl)Cl)S(=O)(=O)O)","",1,"Procion blue MX-R(1)","13324-20-4(1)","3968","High Reliability"]
[1818,"Clc1ccc(cc1)C(C(=O)C2C(=O)c3c(cccc3)C2=O)c4ccccc4\nClc1ccc(cc1)C(C(=O)C2C(=O)c3ccccc3C2=O)c4ccccc4\n\n","Clc1ccc(cc1)C(C(=O)C1C(=O)c2c(C1=O)cccc2)c1ccccc1","O=C1c4ccccc4(C(=O)C1C(=O)C(c2ccccc2)c3ccc(cc3)Cl)","",1,"CHLOROPHACINONE(1)","3691-35-8(1)","3414","High Reliability"]
[1819,"O=C(C(c1ccccc1)c2ccccc2)C3C(=O)c4c(cccc4)C3=O\nO=C(C(c1ccccc1)c2ccccc2)C3C(=O)c4ccccc4C3=O\n[Na+].O=C(C(c1ccccc1)c2ccccc2)C3C(=O)c4ccccc4C3=O\n","O=C(C1C(=O)c2c(C1=O)cccc2)C(c1ccccc1)c1ccccc1","O=C1c4ccccc4(C(=O)C1C(=O)C(c2ccccc2)c3ccccc3)","",1,"DIPHACINONE(1)","82-66-6(1)","515","High Reliability","Differences in counterions"]
[1820,"CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2\n\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(C(F)(F)F)Cl","N#CC(OC(=O)C1C(C=C(C(F)(F)F)Cl)C1(C)(C))c3cccc(Oc2ccccc2)c3","",1,"CYHALOTHRIN(1)","68085-85-8(1)","5096","Medium Reliability","Stereochemistry removed"]
[1821,"Cc1c(cccc1COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)-c3ccccc3\nCc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c3ccccc3\n\n","O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1cccc(c1C)c1ccccc1","O=C(OCc2cccc(c1ccccc1)c2C)C3C(C=C(C(F)(F)F)Cl)C3(C)(C)","",1,"Bifenthrin(1)","82657-04-3(1)","5282","High Reliability","Stereochemistry removed"]
[1822,"COc1cc2c(cc1OC)C3C(CO2)Oc4c(ccc5c4CC(O5)C(C)=C)C3=O\nCOc1cc2OCC3Oc4c5CC(Oc5ccc4C(=O)C3c2cc1OC)C(C)=C\n\n","COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C","O=C3c5ccc1OC(C(=C)C)Cc1c5(OC4COc2cc(OC)c(OC)cc2C34)","",1,"ROTENONE(1)","83-79-4(1)","530","High Reliability","Stereochemistry removed"]
[1823,"C1CN(CCO1)C(c2ccccc2)(c3ccccc3)c4ccccc4\n\n\n","O1CCN(CC1)C(c1ccccc1)(c1ccccc1)c1ccccc1","O1CCN(CC1)C(c2ccccc2)(c3ccccc3)c4ccccc4","",1,"TRIFENMORPH(1)","1420-06-0(1)","2900","High Reliability"]
[1824,"COc1cc2c(cc1OC)C34CCN5CC6=CCOC7CC(=O)N2C3C7C6CC45\n\n\n","COc1cc2c(cc1OC)N1C3C42CCN2C4CC4C3C(CC1=O)OCC=C4C2","O=C2N6c1cc(OC)c(OC)cc1C57(CCN4CC3=CCOC(C2)C(C3CC45)C67)","",1,"BRUCINE(1)","357-57-3(1)","1752","High Reliability","Stereochemistry removed"]
[1825,"CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C\n\n\n","CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C","O=C(OCc2cccc(Oc1ccccc1)c2)C3C(C=C(C)C)C3(C)(C)","",1,"PHENOTHRIN(1)","26002-80-2(1)","4412","High Reliability"]
[1826,"CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)C=CC4(C)C3CCC12C)C(C)=O\n\n\n","O=C1C=CC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C","O=C1C=CC4(C(=C1)C(=CC3C4(CCC2(C)(C3(CCC2(OC(=O)C)(C(=O)C)))))Cl)(C)","",1,"Delmadinone acetate(1)","13698-49-2(1)","3998","High Reliability","Stereochemistry removed"]
[1827,"CN(C)C1C2CC3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O\n\n\n","CN(C1C(=C(C(=O)N)C(=O)C2(C1CC1Cc3c(C(=O)C1=C2O)c(O)ccc3N(C)C)O)O)C","O=C(N)C=3C(=O)C4(O)(C(O)=C2C(=O)c1c(O)ccc(c1CC2CC4(C(C=3(O))N(C)C))N(C)C)","",1,"MINOCYCLINE(1)","10118-90-8(1)","3902","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1828,"COc1c(OC)c(C(O)=O)c(cc1)C(=O)Cc2c(OC)c3c(OCO3)cc2CCN(C)C\nCOc1ccc(C(=O)Cc2c(CCN(C)C)cc3OCOc3c2OC)c(C(O)=O)c1OC\n\n","COc1c(CC(=O)c2ccc(c(c2C(=O)O)OC)OC)c(CCN(C)C)cc2c1OCO2","O=C(O)c3c(OC)c(OC)ccc3(C(=O)Cc1c(OC)c2OCOc2(cc1CCN(C)C))","",1,"NARCEINE(1)","131-28-2(1)","1499","High Reliability"]
[1829,"CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4c2cc(Cl)cc4)CC1\nCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1\n[H+].[H+].[Cl-].[Cl-].CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1\n","CC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2","O=C(OCCN1CCN(CC1)CCCN4c2ccccc2Sc3ccc(cc34)Cl)C","",1,"Thiopropazate(1)","84-06-0(1)","533","High Reliability","Differences in counterions"]
[1830,"COc1c(cc(Cl)cc1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3\nCOc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3\n\n","COc1ccc(cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)Cl","O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3cc(ccc3(OC))Cl","",1,"Glyburide(1)","10238-21-8(1)","3907","High Reliability"]
[1831,"CN1CCC23C4Oc5c(OCCN6CCOCC6)ccc(CC1C2C=CC4O)c35\n\n\n","CN1CCC23C4C1Cc1c3c(OC2C(C=C4)O)c(cc1)OCCN1CCOCC1","OC1C=CC6C5N(C)CCC26(c4c(OC12)c(OCCN3CCOCC3)ccc4C5)","",1,"PHOLCODINE(1)","509-67-1(1)","1945","High Reliability","Stereochemistry removed"]
[1832,"CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC12C\n[H]C12CCC(O)(C(=O)COC(C)=O)C1(C)CC(O)C3([H])C2([H])CCC4=CC(=O)C=CC34C\nCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C\n","CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)CCC12C","O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(=O)CC23(C))))C","",2,"CORTISONE ACETATE(1), PREDNISOLONE ACETATE(1)","50-04-4(1), 52-21-1(1)","4, 57","Medium Reliability, High Reliability","Stereochemistry removed"]
[1833,"CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C\n\n\n","S=C(NC(C)(C)C)Nc1c(cc(cc1C(C)C)Oc1ccccc1)C(C)C","O(c1ccccc1)c2cc(c(NC(NC(C)(C)C)=S)c(c2)C(C)C)C(C)C","",1,"Diafenthiuron(1)","80060-09-9(1)","5259","High Reliability"]
[1834,"CC(=O)C1(C)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C\n\n\n","O=C1CCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(C)C(=O)C)C)C)C","O=C4C=C3C(=CC2C(CCC1(C)(C2(CCC1(C(=O)C)(C))))C3(C)CC4)C","",1,"Medrogestone(1)","977-79-7(1)","2783","High Reliability","Stereochemistry removed"]
[1835,"Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(O)c(c1)C(C)(C)C\n\n\n","Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O","Oc1c(cc(cc1C(C)(C)C)C)Cc2cc(cc(c2(O))C(C)(C)C)C","",1,"BIS (2-HYDROXY-3TERT-BUTYL-5-METHYLPHENYL) METHA(1)","119-47-1(1)","1338","Medium Reliability"]
[1836,"CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C\n\n\n","CC(=O)OCC(=O)C1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C","O=C(OCC(=O)C2CCC3C4CCC1=CC(=O)CCC1(C)C4(CCC23(C)))C","",1,"DEOXYCORTICOSTERONE ACETATE(1)","56-47-3(1)","98","High Reliability","Stereochemistry removed"]
[1837,"CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C\n\n\n","CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C","O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))C","",1,"HYDROCORTISONE ACETATE(1)","50-03-3(1)","3","High Reliability","Stereochemistry removed"]
[1838,"c1cc2c3c4c1ccc5c4c6c(cc5)ccc7c6c3c(cc2)cc7\nc1cc2ccc3ccc4ccc5ccc6ccc1c7c2c3c4c5c67\n\n","c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1","c1cc2ccc3ccc4ccc5ccc6ccc1c7c2c3c4c5c67","",1,"CORONENE(1)","191-07-1(1)","1641","High Reliability"]
[1839,"CC(C)(COCc1cc(Oc2ccccc2)ccc1)c3ccc(OC(F)(F)Br)cc3\n\n\n","FC(Oc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C)(Br)F","FC(F)(Oc1ccc(cc1)C(C)(C)COCc3cccc(Oc2ccccc2)c3)Br","",1,"Halfenprox(1)","111872-58-3(1)","5569","High Reliability"]
[1840,"CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C\n\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(C)C","N#CC(OC(=O)C1C(C=C(C)C)C1(C)(C))c3cccc(Oc2ccccc2)c3","",1,"CYPHENOTHRIN(1)","39515-40-7(1)","4713","High Reliability"]
[1841,"Cc1c(oc2c(cccc2c1=O)C(=O)OCCN3CCCCC3)-c4ccccc4\n\n\n","O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1","O=C(OCCN1CCCCC1)c2cccc3C(=O)C(=C(Oc23)c4ccccc4)C","",1,"Flavoxate(1)","15301-69-6(1)","4064","High Reliability"]
[1842,"Cn1nc(C)c(C=NOCc2ccc(cc2)C(=O)OC(C)(C)C)c1Oc3ccccc3\n\n\n","Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C","O=C(OC(C)(C)C)c1ccc(cc1)CON=Cc3c(nn(c3(Oc2ccccc2))C)C","",1,"Fenpyroximate(1)","111812-58-9(1)","5568","High Reliability","Stereochemistry removed"]
[1843,"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(C)=O\n\n\n","CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F","O=C(OCC(=O)C3(O)(C(C)CC2C4CCC1=CC(=O)C=CC1(C)C4(F)(C(O)CC23(C))))C","",1,"DEXAMETHASONE-21-ACETATE(1)","1177-87-3(1)","2856","High Reliability","Stereochemistry removed"]
[1844,"CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(O1)C(=O)CO\n\n\n","OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C","O=C1C=CC4(C(=C1)CCC3C5CC2OC(OC2(C(=O)CO)C5(C)(CC(O)C34(F)))(C)C)(C)","",1,"TRIAMCINOLONE ACETONIDE(1)","76-25-5(1)","395","High Reliability","Stereochemistry removed"]
[1845,"CC(=O)OC1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C)C(C)=O\n\n\n","O=C1CCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C)C","O=C(OC3(C(=O)C)(CCC2C4C=C(C1=CC(=O)CCC1(C)C4(CCC23(C)))C))C","",1,"MEGESTROL ACETATE(1)","595-33-5(1)","2329","High Reliability","Stereochemistry removed"]
[1846,"CC(=O)SC1CC2=CC(=O)CCC2(C)C3CCC4(C)C(CCC45CCC(=O)O5)C13\n\n\n","CC(=O)SC1CC2=CC(=O)CCC2(C2C1C1CCC3(C1(CC2)C)CCC(=O)O3)C","O=C1OC3(CC1)(CCC2C5C(CCC23(C))C4(C(=CC(=O)CC4)CC5SC(=O)C)(C))","",1,"SPIRONOLACTONE(1)","52-01-7(1)","56","High Reliability","Stereochemistry removed"]
[1847,"CC(N(Cc1c(N)nc(C)nc1)C=O)=C(CCO)SSC(CCO)=C(C)N(Cc2c(N)nc(C)nc2)C=O\nCc1ncc(CN(C=O)C(C)=C(CCO)SSC(CCO)=C(C)N(Cc2cnc(C)nc2N)C=O)c(N)n1\n\n","OCCC(=C(N(Cc1cnc(nc1N)C)C=O)C)SSC(=C(N(Cc1cnc(nc1N)C)C=O)C)CCO","O=CN(C(=C(CCO)SSC(=C(N(C=O)Cc1cnc(nc1(N))C)C)CCO)C)Cc2cnc(nc2(N))C","",1,"Thiamine Disulfide(1)","67-16-3(1)","247","High Reliability","Stereochemistry removed"]
[1848,"CC(CCC(O)=O)C1CCC2C3C(CC(=O)C12C)C4(C)CCC(=O)CC4CC3=O\n\n\n","OC(=O)CCC(C1CCC2C1(C)C(=O)CC1C2C(=O)CC2C1(C)CCC(=O)C2)C","O=C(O)CCC(C)C3CCC2C4C(=O)CC1CC(=O)CCC1(C)C4(CC(=O)C23(C))","",1,"DEHYDROCHOLIC ACID(1)","81-23-2(1)","506","High Reliability","Stereochemistry removed"]
[1849,"CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C\n\n\n","CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C","O=C(OCCCCCC(C)C)c1ccccc1(C(=O)OCCCCCC(C)C)","",1,"DIISOOCTYL PHTHALATE(1)","27554-26-3(1)","4449","High Reliability","Checked on PubChem, Checked on ChemID"]
[1850,"CCCCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC\nCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC\nCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC\n","CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC","O=C(OCCCCCCCC)c1ccccc1(C(=O)OCCCCCCCC)","",1,"dioctylphthalate(1)","117-84-0(1)","1313","High Reliability","Name verified in PubChem"]
[1851,"CCCCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC\nCCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC\n\n","CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC","O=C(OCC(CC)CCCC)c1ccccc1(C(=O)OCC(CC)CCCC)","",1,"BIS(2-ETHYLHEXYL)PHTHALATE(1)","117-81-7(1)","1311","Medium Reliability"]
[1852,"CC(CCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C\n\n\n","OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C","O=C(O)CCC(C)C2CCC3C4CCC1CC(O)CCC1(C)C4(CCC23(C))","",1,"LITHOCHOLIC ACID(1)","434-13-9(1)","1780","High Reliability","Stereochemistry removed"]
[1853,"CC(CCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C\n\n\n","OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)O)C","O=C(O)CCC(C)C2CCC3C4C(O)CC1CC(O)CCC1(C)C4(CCC23(C))","",2,"URSODEOXYCHOLIC ACID(1), CHENODEOXYCHOLIC ACID(1)","128-13-2(1), 474-25-9(1)","1485, 1835","High Reliability","Stereochemistry removed"]
[1854,"CC(CCC(O)=O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C\n[Na+].CC(CCC([O-])=O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C\n\n","OC1CCC2(C(C1)C(O)CC1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C","O=C(O)CCC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)(C3(CCC12(C)))","",1,"HYODEOXYCHOLIC ACID(1)","83-49-8(1)","526","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1855,"CC(CCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C\n\n\n","OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C","O=C(O)CCC(C)C2CCC3C4CCC1CC(O)CCC1(C)C4(CC(O)C23(C))","",1,"DEOXYCHOLIC ACID(1)","83-44-3(1)","525","High Reliability","Stereochemistry removed"]
[1856,"CC(CCC(O)=O)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C\n\n\n","OC1CCC2(C(C1)C(O)C(C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)O)C","O=C(O)CCC(C)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)(C3(CCC12(C)))","",1,"HYOCHOLIC ACID(1)","547-75-1(1)","2116","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1857,"CC(CCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C\n\n\n","OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C","O=C(O)CCC(C)C2CCC3C4C(O)CC1CC(O)CCC1(C)C4(CC(O)C23(C))","",1,"CHOLIC ACID(1)","81-25-4(1)","507","High Reliability","Stereochemistry removed"]
[1858,"CCCCCCCCN(CCCCCCCC)CCCCCCCC\n\n\n","CCCCCCCCN(CCCCCCCC)CCCCCCCC","N(CCCCCCCC)(CCCCCCCC)CCCCCCCC","",1,"TRI(N-OCTYL)AMINE(1)","1116-76-3(1)","2831","Medium Reliability"]
[1859,"Oc1c2c(ccc3ccccc23)nc4c5C(=O)c6ccccc6C(=O)c5ccc14\nO=C1c2ccccc2C(=O)c3c4[nH]c5ccc6ccccc6c5c(=O)c4ccc13\n\n","O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(c1O)c1ccccc1cc2","O=C2c6ccccc6(C(=O)c3c4nc5ccc1ccccc1c5(c(O)c4(ccc23)))","",1,"Benzo[a]naphth[2,3-h]acridine-5,8,13(14H)-trione(1)","3737-76-6(1)","3425","High Reliability"]
[1860,"CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3\n\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C","N#CC(OC(=O)C(c1ccc(cc1)Cl)C(C)C)c3cccc(Oc2ccccc2)c3","",2,"FENVALERATE(1), ESFENVALERATE(1)","51630-58-1(1), 66230-04-4(1)","4818, 5059","Medium Reliability, High Reliability","Stereochemistry removed"]
[1861,"CC1(C)CNC(NC1)=NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F\nCC1(C)CNC(=NC1)NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F\n\n","FC(c1ccc(cc1)C=CC(=NN=C1NCC(CN1)(C)C)C=Cc1ccc(cc1)C(F)(F)F)(F)F","FC(F)(F)c3ccc(C=CC(=NN=C1NCC(C)(C)CN1)C=Cc2ccc(cc2)C(F)(F)F)cc3","",1,"HYDRAMETHYLNON(1)","67485-29-4(1)","5083","High Reliability","Stereochemistry removed"]
[1862,"[I-].CCN1C=CC(=CC=Cc2c3ccccc3[n+](CC)cc2)c4c1cccc4\n[I-].CCN1C=CC(=CC=Cc2cc[n+](CC)c3ccccc23)c4ccccc14\n\n","CCn1ccc(=CC=Cc2cc[n+](c3c2cccc3)CC)c2c1cccc2","c1ccc4c(c1)C(=CC=Cc2cc[n+](c3ccccc23)CC)C=CN4CC","",1,"Kryptocyanine(1)","4727-50-8(1)","3529","Medium Reliability"]
[1863,"CCOc1ccc(cc1)C(C)(C)COCc2cc(Oc3ccccc3)ccc2\n\n\n","CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C","O(c1ccccc1)c2cccc(c2)COCC(c3ccc(OCC)cc3)(C)C","",1,"ETOFENPROX(1)","80844-07-1(1)","5260","Medium Reliability"]
[1864,"CC(=O)OCC(=O)C1(O)C(CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)OC(C)=O\n\n\n","CC(=O)OC1CC2C(C1(O)C(=O)COC(=O)C)(C)CC(C1(C2CCC2=CC(=O)C=CC12C)F)O","O=C(OCC(=O)C3(O)(C(OC(=O)C)CC2C4CCC1=CC(=O)C=CC1(C)C4(F)(C(O)CC23(C))))C","",1,"TRIAMCINOLONE DIACETATE(1)","67-78-7(1)","256","High Reliability","Stereochemistry removed"]
[1865,"CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12\n\n\n","CCC(C(=O)OC1CC(C)C=C2C1C(CCC1CC(O)CC(=O)O1)C(C=C2)C)(C)C","O=C3OC(CCC2C(C=CC1=CC(C)CC(OC(=O)C(C)(C)CC)C12)C)CC(O)C3","",1,"SIMVASTATIN(1)","79902-63-9(1)","5257","High Reliability","Stereochemistry removed"]
[1866,"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN\n\n\n","NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O)O","O=C(NCCCCCN(O)C(=O)C)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","",1,"Deferoxamine(1)","70-51-9(1)","277","High Reliability"]
[1867,"CCOc1ccc(cc1)C2(CC2(Cl)Cl)C(=O)OC(C#N)c3cc(Oc4ccccc4)ccc3\nCCOc1ccc(cc1)C2(CC2(Cl)Cl)C(=O)OC(C#N)c3cccc(Oc4ccccc4)c3\n\n","CCOc1ccc(cc1)C1(CC1(Cl)Cl)C(=O)OC(c1cccc(c1)Oc1ccccc1)C#N","N#CC(OC(=O)C2(c1ccc(OCC)cc1)(CC2(Cl)Cl))c4cccc(Oc3ccccc3)c4","",1,"CYCLOPROTHRIN(1)","63935-38-6(1)","5031","High Reliability"]
[1868,"CC1(C)C(C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C1C(=O)OC(C#N)c2cc(Oc3ccccc3)ccc2\nCC1(C)C(C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=CC(=O)OC(C(F)(F)F)C(F)(F)F","N#CC(OC(=O)C1C(C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C1(C)(C))c3cccc(Oc2ccccc2)c3","",1,"ACRINATHRIN(1)","101007-06-1(1)","5456","Medium Reliability","Stereochemistry removed"]
[1869,"CC(C)C(C(=O)OC(C#N)c1cc(Oc2ccc(Br)cc2)ccc1)c3ccc(OC(F)F)cc3\nCC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccc(Br)cc2)c1)c3ccc(OC(F)F)cc3\n\n","N#CC(c1cccc(c1)Oc1ccc(cc1)Br)OC(=O)C(c1ccc(cc1)OC(F)F)C(C)C","N#CC(OC(=O)C(c1ccc(OC(F)F)cc1)C(C)C)c3cccc(Oc2ccc(cc2)Br)c3","",1,"ZXI 8901(1)","160791-64-0(1)","5747","Medium Reliability","Checked on PubChem"]
[1870,"CC(C)C(Nc1c(Cl)cc(cc1)C(F)(F)F)C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2\nCC(C)C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F","N#CC(OC(=O)C(Nc1ccc(cc1Cl)C(F)(F)F)C(C)C)c3cccc(Oc2ccccc2)c3","",1,"FLUVALINATE(1)","69409-94-5(1)","5120","High Reliability"]
[1871,"CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(OC(F)F)cc3\n\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)OC(F)F)C(C)C","N#CC(OC(=O)C(c1ccc(OC(F)F)cc1)C(C)C)c3cccc(Oc2ccccc2)c3","",1,"FLUCYTHRINATE(1)","70124-77-5(1)","5134","High Reliability","Stereochemistry removed"]
[1872,"C(C=Cc1ccccc1)N2CCN(CC2)C(c3ccccc3)c4ccccc4\n\n\n","c1ccc(cc1)C=CCN1CCN(CC1)C(c1ccccc1)c1ccccc1","c1ccc(cc1)C=CCN2CCN(CC2)C(c3ccccc3)c4ccccc4","",1,"Cinnarizine(1)","298-57-7(1)","1694","High Reliability","Stereochemistry removed"]
[1873,"CC(C)(C)C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C\n\n\n","O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C(C)(C)C)C)C","O=C1C=CC3(C(=C1)CCC2C4CCC(O)(C(=O)COC(=O)C(C)(C)C)C4(C)(CC(O)C23))(C)","",1,"Prednisolone 21-trimethylacetate(1)","1107-99-9(1)","2823","High Reliability","Stereochemistry removed"]
[1874,"CC(CCC(=O)NCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C\n\n\n","OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)NCC(=O)O)C)C)O)C","O=C(O)CNC(=O)CCC(C)C2CCC3C4C(O)CC1CC(O)CCC1(C)C4(CCC23(C))","",2,"GLYCOCHENODEOXYCHOLIC ACID(1), GLYCOURSODEOXYCHOLIC ACID(1)","640-79-9(1), 64480-66-6(1)","2607, 5037","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1875,"CC(CCC(=O)NCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C\n\n\n","OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)NCC(=O)O)C)C)O)C","O=C(O)CNC(=O)CCC(C)C2CCC3C4C(O)CC1CC(O)CCC1(C)C4(CC(O)C23(C))","",1,"GLYCOCHOLIC ACID(1)","475-31-0(1)","1838","High Reliability","Stereochemistry removed"]
[1876,"CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C\n\n\n","CC(CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C)C","O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C","",1,"Diisodecyl adipate(1)","27178-16-1(1)","4442","High Reliability","Checked on PubChem, Checked on ChemID"]
[1877,"CCCCCCCCCCCCCCCCCCCCCCCCCC\n\n\n","CCCCCCCCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCCCCCCCC","",1,"HEXACOSANE(1)","630-01-3(1)","2570","High Reliability"]
[1878,"CN(C)C1C2CC3C(=C(O)C2(O)C(=O)C(C(=O)NCN4CCCC4)=C1O)C(=O)c5c(cccc5O)C3(C)O\nCN(C)C1C2CC3C(=C(O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=O)C(=C(O)NCN5CCCC5)C1=O\nCN(C)C1C2CC3C(=C(O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=O)C(=C(O)NCN5CCCC5)C1=O.O[N+]([O-])=O\n","CN(C1C(=C(C(=O)NCN2CCCC2)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)cccc2O)O)O)C","O=C(NCN1CCCC1)C=4C(=O)C5(O)(C(O)=C3C(=O)c2c(O)cccc2C(O)(C)C3CC5(C(C=4(O))N(C)C))","",1,"Rolitetracycline(1)","751-97-3(1)","2666","High Reliability","Differences in counterions, Stereochemistry removed"]
[1879,"COc1c(OC)cc(cc1)C2OCC3C2COC3c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)cc4\n\n\n","OCC1OC(Oc2ccc(cc2OC)C2OCC3C2COC3c2ccc(c(c2)OC)OC)C(C(C1O)O)O","OCC5OC(Oc1ccc(cc1(OC))C2OCC3C(OCC23)c4ccc(OC)c(OC)c4)C(O)C(O)C5(O)","",1,"Phillyrin(1)","487-41-2(1)","1866","High Reliability","Stereochemistry removed"]
[1880,"CCCCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)C(=O)CO\n\n\n","CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO","O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CCCC)(C(=O)CO)C4(C)(CC(O)C23(F)))(C)","",1,"betamethasone-17-valerate(1)","2152-44-5(1)","3106","Medium Reliability","Stereochemistry removed, Name verified in PubChem"]
[1881,"[H]C12CCC(O)(C(=O)COC(=O)CC(C)(C)C)C1(C)CC(O)C3([H])C2([H])CCC4=CC(=O)CCC34C\nCC(C)(C)CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C\n\n","O=C(CC(C)(C)C)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C","O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CC(C)(C)C","",1,"Hydrocortisone tebutate(1)","508-96-3(1)","1943","High Reliability","Stereochemistry removed"]
[1882,"[H]C12CC3([H])C4([H])CC=C5CC(O)CCC5(C)C4([H])CCC3(C)C1([H])C(C)C6(CCC(C)CO6)O2\nCC1CCC2(OC1)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C\n\n","CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C","OC6CC5=CCC4C(CCC3(C)(C4(CC2OC1(OCC(C)CC1)C(C)C23)))C5(C)CC6","",1,"Diosgenin(1)","512-04-9(1)","1951","High Reliability","Stereochemistry removed"]
[1883,"[H]C1(CCC2([H])C3([H])CC=C4CC(O)CCC4(C)C3([H])CCC12C)C(C)CCCC(C)C\nCC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C\n\n","CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)O)C)C","OC4CC3=CCC1C(CCC2(C)(C(CCC12)C(C)CCCC(C)C))C3(C)CC4","",1,"CHOLESTEROL(1)","57-88-5(1)","140","Medium Reliability","Stereochemistry removed"]
[1884,"CC(=O)OCC1OC(COC(C)=O)(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O\n\n\n","CC(=O)OCC1(OC2OC(COC(=O)C)C(C(C2OC(=O)C)OC(=O)C)OC(=O)C)OC(C(C1OC(=O)C)OC(=O)C)COC(=O)C","O=C(OCC2OC(OC1(OC(COC(=O)C)C(OC(=O)C)C1(OC(=O)C))(COC(=O)C))C(OC(=O)C)C(OC(=O)C)C2(OC(=O)C))C","",1,"Sucrose octaacetate(1)","126-14-7(1)","1459","High Reliability","Stereochemistry removed"]
[1885,"CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC\n\n\n","CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC","O=C(OCCCCCCCCCC)c1ccccc1(C(=O)OCCCCCCCCCC)","",1,"DIDECYL PHTHALATE(1)","84-77-5(1)","548","High Reliability"]
[1886,"Fc1ccc(cc1)C(CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)c5ccc(F)cc5\n\n\n","Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1","O=C2NCN(c1ccccc1)C25(CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC5)","",1,"Fluspirilene(1)","1841-19-6(1)","2999","High Reliability"]
[1887,"Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)cnc2[nH]1\n\n\n","O=C(NC(C(=O)O)CCC(=O)NC(C(=O)O)CCC(=O)O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N","O=C(O)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)c1ccc(cc1)NCc2nc3C(=O)N=C(N)Nc3(nc2))C(=O)O)C(=O)O)C(=O)O","",1,"PTEROPTERIN(1)","89-38-3(1)","629","Medium Reliability"]
[1888,"CC1OC(CCC1OC2OC(C)C(C(O)C2O)N(C)C)n3ccc(nc3=O)NC(=O)c4ccc(NC(=O)C(C)(N)CO)cc4\n\n\n","OCC(C(=O)Nc1ccc(cc1)C(=O)Nc1ccn(c(=O)n1)C1CCC(C(O1)C)OC1OC(C)C(C(C1O)O)N(C)C)(N)C","O=C1N=C(C=CN1C3OC(C)C(OC2OC(C)C(N(C)C)C(O)C2(O))CC3)NC(=O)c4ccc(cc4)NC(=O)C(N)(C)CO","",1,"Amicetin(1)","17650-86-1(1)","4164","High Reliability","Checked on PubChem, Checked on ChemID"]
[1889,"FC(F)(Br)C(F)(F)Br\n\n\n","FC(C(Br)(F)F)(Br)F","FC(F)(C(F)(F)Br)Br","",1,"1,2-DIBROMOTETRAFLUOROETHANE(1)","124-73-2(1)","1452","High Reliability"]
[1890,"FC(F)(F)C(F)(Cl)Cl\n\n\n","FC(C(F)(F)F)(Cl)Cl","FC(F)(F)C(F)(Cl)Cl","",1,"1,1-DICHLORO-1,2,2,2-TETRAFLUOROETHANE(1)","374-07-2(1)","1765","High Reliability"]
[1891,"FC(F)(Cl)C(F)(F)Cl\n\n\n","FC(C(Cl)(F)F)(Cl)F","FC(F)(C(F)(F)Cl)Cl","",1,"1,2-DICHLOROTETRAFLUOROETHANE(1)","76-14-2(1)","388","High Reliability"]
[1892,"FC(F)(Cl)C(F)(Cl)Cl\n\n\n","FC(C(Cl)(F)F)(Cl)Cl","FC(F)(C(F)(Cl)Cl)Cl","",1,"1,1,2-TRICHLOROTRIFLUOROETHANE(1)","76-13-1(1)","387","High Reliability"]
[1893,"ClC(Cl)=C(Cl)Cl\n\n\n","ClC(=C(Cl)Cl)Cl","C(=C(Cl)Cl)(Cl)Cl","",1,"TETRACHLOROETHENE(1)","127-18-4(1)","1470","High Reliability"]
[1894,"FC(F)(Cl)C(Cl)(Cl)Cl\n\n\n","ClC(C(Cl)(F)F)(Cl)Cl","FC(F)(C(Cl)(Cl)Cl)Cl","",1,"1,1,1,2-TETRACHLORO-2,2-DIFLUOROETHANE(1)","76-11-9(1)","385","High Reliability"]
[1895,"FC(Cl)(Cl)C(F)(Cl)Cl\n\n\n","FC(C(Cl)(Cl)F)(Cl)Cl","FC(C(F)(Cl)Cl)(Cl)Cl","",1,"1,1,2,2,-TETRACHLORODIFLUOROETHANE(1)","76-12-0(1)","386","Medium Reliability"]
[1896,"ClC(Cl)(Cl)C(Cl)(Cl)Cl\n\n\n","ClC(C(Cl)(Cl)Cl)(Cl)Cl","C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl","",1,"HEXACHLOROETHANE(1)","67-72-1(1)","255","High Reliability"]
[1897,"FC(F)(F)C(F)(F)Cl\n\n\n","FC(C(F)(F)F)(Cl)F","FC(F)(F)C(F)(F)Cl","",1,"CHLOROPENTAFLUOROETHANE(1)","76-15-3(1)","389","High Reliability"]
[1898,"FC(F)=C(F)F\n\n\n","FC(=C(F)F)F","FC(F)=C(F)F","",1,"TETRAFLUOROETHYLENE(1)","116-14-3(1)","1298","High Reliability"]
[1899,"FC(F)(F)C(F)(F)F\n\n\n","FC(C(F)(F)F)(F)F","FC(F)(F)C(F)(F)F","",1,"HEXAFLUOROETHANE(1)","76-16-4(1)","390","High Reliability"]
[1900,"C#C\n\n\n","C#C","C#C","",1,"ACETYLENE(1)","74-86-2(1)","311","High Reliability"]
[1901,"BrC=CBr\n\n\n","BrC=CBr","C(=CBr)Br","",2,"1,2-Dibromoethene(1), ETHENE, 1,2-DIBROMO-, (Z)-(1)","25429-23-6(1), 590-11-4(1)","4399, 2283","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1902,"ClC(Br)C(Cl)Br\n\n\n","ClC(C(Br)Cl)Br","C(C(Cl)Br)(Cl)Br","",1,"ETHANE, 1,2-DIBROMO-1,2-DICHLORO-(1)","683-68-1(1)","2629","High Reliability","Checked on PubChem, Checked on ChemID"]
[1903,"OC(=O)C(Br)Br\n\n\n","BrC(C(=O)O)Br","O=C(O)C(Br)Br","",1,"Acetic acid, dibromo-(1)","631-64-1(1)","2577","High Reliability"]
[1904,"NC(=O)C(Br)(Br)Br\n\n\n","NC(=O)C(Br)(Br)Br","O=C(N)C(Br)(Br)Br","",1,"Acetamide, 2,2,2-tribromo-(1)","594-47-8(1)","2324","Medium Reliability"]
[1905,"BrC(Br)C(Br)Br\n\n\n","BrC(C(Br)Br)Br","C(C(Br)Br)(Br)Br","",1,"1,1,2,2-TETRABROMOETHANE(1)","79-27-6(1)","473","High Reliability"]
[1906,"ClC(Cl)=C\n\n\n","ClC(=C)Cl","C=C(Cl)Cl","",1,"1,1-DICHLOROETHENE(1)","75-35-4(1)","345","High Reliability"]
[1907,"ClC=CCl\n\n\n","ClC=CCl","C(=CCl)Cl","",3,"1,2-DICHLOROETHENE (CIS)(1), 1,2-DICHLOROETHENE (TRANS)(1), 1,2-DICHLOROETHYLENE(1)","156-59-2(1), 156-60-5(1), 540-59-0(1)","1638, 1639, 2070","Medium Reliability, High Reliability","Stereochemistry removed"]
[1908,"FC(F)(Cl)CCl\n\n\n","ClCC(Cl)(F)F","FC(F)(CCl)Cl","",1,"1,2-DICHLORO-1,1-DIFLUOROETHANE(1)","1649-08-7(1)","2952","High Reliability"]
[1909,"OC(=O)C(Cl)Cl\n\n\n","ClC(C(=O)O)Cl","O=C(O)C(Cl)Cl","",1,"DICHLOROACETIC ACID(1)","79-43-6(1)","478","High Reliability"]
[1910,"NC(=O)C(Cl)(Cl)Cl\n\n\n","NC(=O)C(Cl)(Cl)Cl","O=C(N)C(Cl)(Cl)Cl","",1,"TRICHLOROACETAMIDE(1)","594-65-0(1)","2326","High Reliability"]
[1911,"ClC(Cl)C(Cl)Cl\n\n\n","ClC(C(Cl)Cl)Cl","C(C(Cl)Cl)(Cl)Cl","",1,"1,1,2,2-TETRACHLOROETHANE(1)","79-34-5(1)","476","High Reliability"]
[1912,"ClCC(Cl)(Cl)Cl\n\n\n","ClCC(Cl)(Cl)Cl","C(C(Cl)(Cl)Cl)Cl","",1,"1,1,1,2-TETRACHLOROETHANE(1)","630-20-6(1)","2572","High Reliability"]
[1913,"FC(F)(F)CCl\n\n\n","ClCC(F)(F)F","FC(F)(F)CCl","",1,"1,1,1-TRIFLUORO-2-CHLOROETHANE(1)","75-88-7(1)","373","High Reliability"]
[1914,"ClCC#N\n\n\n","ClCC#N","N#CCCl","",1,"CHLOROACETONITRILE(1)","107-14-2(1)","1034","High Reliability"]
[1915,"ClCC(N(=O)=O)(N(=O)=O)N(=O)=O\n[O-][N+](=O)C(CCl)([N+]([O-])=O)[N+]([O-])=O\n\n","ClCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])CCl","",1,"Ethane, 2-chloro-1,1,1-trinitro-(1)","4100-02-1(1)","3460","Medium Reliability"]
[1916,"FC(F)=C\n\n\n","FC(=C)F","FC(F)=C","",1,"1,1-DIFLUOROETHENE(1)","75-38-7(1)","347","High Reliability"]
[1917,"OC(=O)C(F)F\n\n\n","FC(C(=O)O)F","O=C(O)C(F)F","",1,"Acetic acid, difluoro-(1)","381-73-7(1)","1769","High Reliability"]
[1918,"IC=CI\n\n\n","IC=CI","C(=CI)I","",2,"1,2-DIIODOETHENE (CIS)(1), 1,2-DIIODOETHENE (TRANS)(1)","590-26-1(1), 590-27-2(1)","2285, 2286","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1919,"s1ccnn1\n\n\n","c1cnns1","n1nscc1","",1,"1,2,3-THIADIAZOLE(1)","288-48-2(1)","1680","High Reliability"]
[1920,"S=c1[nH]sc(=S)[nH]1\n\n\n","S=c1[nH]sc(=S)[nH]1","N1C(NSC1=S)=S","",1,"1,2,4-Thiadiazolidine-3,5-dithione(1)","20939-17-7(1)","4286","High Reliability"]
[1921,"Sc1nnc(S)s1\nS=c1[nH][nH]c(=S)s1\n\n","Sc1nnc(s1)S","n1nc(S)sc1S","",1,"1,3,4-THIADIAZOLIDINE-2,5-DITHIONE(1)","1072-71-5(1)","2812","High Reliability"]
[1922,"O=CC=O\n\n\n","O=CC=O","O=CC=O","",1,"GLYOXAL(1)","107-22-2(1)","1039","Medium Reliability"]
[1923,"OC(=O)C(O)=O\n[K+].[K+].[O-]C(=O)C([O-])=O\n\n","OC(=O)C(=O)O","O=C(O)C(=O)O","",2,"OXALIC ACID(1), Potassium Oxalate(1)","144-62-7(1), 583-52-8(1)","1602, 2237","High Reliability"]
[1924,"ClC(Br)CBr\n\n\n","BrCC(Br)Cl","C(C(Cl)Br)Br","",1,"1,2-DIBROMO-1-CHLOROETHANE(1)","598-20-9(1)","2346","High Reliability"]
[1925,"NC(=O)C(Br)Br\n\n\n","BrC(C(=O)N)Br","O=C(N)C(Br)Br","",1,"Acetamide, 2,2-dibromo-(1)","598-70-9(1)","2350","High Reliability"]
[1926,"BrCC(Br)Br\n\n\n","BrCC(Br)Br","C(C(Br)Br)Br","",1,"Ethane, 1,1,2-tribromo-(1)","78-74-0(1)","443","High Reliability"]
[1927,"OCC(Br)(Br)Br\n\n\n","OCC(Br)(Br)Br","OCC(Br)(Br)Br","",1,"ETHANOL, 2,2,2-TRIBROMO-(1)","75-80-9(1)","367","High Reliability"]
[1928,"OCC(Cl)(Cl)Br\n\n\n","OCC(Br)(Cl)Cl","OCC(Cl)(Cl)Br","",1,"Ethanol, 2-bromo-2,2-dichloro-(1)","69497-24-1(1)","5121","Medium Reliability"]
[1929,"OC(=O)CBr\n\n\n","OC(=O)CBr","O=C(O)CBr","",1,"BROMOACETIC ACID(1)","79-08-3(1)","464","High Reliability"]
[1930,"ClC=C\n\n\n","ClC=C","C=CCl","",1,"VINYLCHLORIDE(1)","75-01-4(1)","323","High Reliability"]
[1931,"CC(F)(Cl)Cl\n\n\n","CC(Cl)(Cl)F","FC(C)(Cl)Cl","",1,"1,1-DICHLOROFLUOROETHANE(1)","1717-00-6(1)","2971","High Reliability"]
[1932,"NC(=O)C(Cl)Cl\n\n\n","ClC(C(=O)N)Cl","O=C(N)C(Cl)Cl","",1,"ACETAMIDE, 2,2-DICHLORO-(1)","683-72-7(1)","2630","High Reliability"]
[1933,"CC(Cl)(Cl)[N+]([O-])=O\n\n\n","CC([N+](=O)[O-])(Cl)Cl","O=[N+]([O-])C(C)(Cl)Cl","",1,"1,1-DICHLORO-1-NITROETHANE(1)","594-72-9(1)","2327","High Reliability"]
[1934,"CC(Cl)(Cl)Cl\n\n\n","CC(Cl)(Cl)Cl","CC(Cl)(Cl)Cl","",1,"1,1,1-TRICHLOROETHANE(1)","71-55-6(1)","287","High Reliability"]
[1935,"ClCC(Cl)Cl\n\n\n","ClCC(Cl)Cl","C(C(Cl)Cl)Cl","",1,"1,1,2-TRICHLOROETHANE(1)","79-00-5(1)","460","High Reliability"]
[1936,"OCC(Cl)(Cl)Cl\n\n\n","OCC(Cl)(Cl)Cl","OCC(Cl)(Cl)Cl","",1,"2,2,2-TRICHLOROETHANOL(1)","115-20-8(1)","1275","High Reliability"]
[1937,"OC(O)C(Cl)(Cl)Cl\n\n\n","OC(C(Cl)(Cl)Cl)O","OC(O)C(Cl)(Cl)Cl","",1,"CHORAL HYDRATE(1)","302-17-0(1)","1707","Medium Reliability"]
[1938,"CC(F)(F)Cl\n\n\n","CC(Cl)(F)F","FC(F)(C)Cl","",1,"1-CHLORO-1,1-DIFLUOROETHANE(1)","75-68-3(1)","360","High Reliability"]
[1939,"OC(=O)CCl\n\n\n","OC(=O)CCl","O=C(O)CCl","",1,"CHLOROACETIC ACID(1)","79-11-8(1)","467","High Reliability"]
[1940,"OCC(F)(F)F\n\n\n","OCC(F)(F)F","FC(F)(F)CO","",1,"2,2,2-TRIFLUOROETHANOL(1)","75-89-8(1)","374","High Reliability"]
[1941,"[Na+].[O-]C(=O)CF\nOC(=O)CF\n\n","OC(=O)CF","O=C(O)CF","",2,"FLUOROACETIC ACID, SODIUM SALT(1), FLUOROACETIC ACID(1)","62-74-8(1), 144-49-0(1)","214, 1601","High Reliability"]
[1942,"CC#N\n\n\n","CC#N","N#CC","",1,"ACETONITRILE(1)","75-05-8(1)","326","High Reliability"]
[1943,"SC(=N)NC#N\n\n\n","SC(=N)NC#N","N#CNC(=N)S","",1,"Thiourea, cyano-(1)","61296-28-4(1)","5003","Medium Reliability"]
[1944,"CN=C=S\n\n\n","CN=C=S","C(=NC)=S","",1,"METHYL ISOTHIOCYANATE(1)","556-61-6(1)","2159","High Reliability"]
[1945,"C=C\n\n\n","C=C","C=C","",1,"ETHYLENE(1)","74-85-1(1)","310","High Reliability"]
[1946,"CC(Br)Br\n\n\n","CC(Br)Br","CC(Br)Br","",1,"DIBROMOETHANE(1)","25620-62-6(1)","4406","Medium Reliability","Checked on ChemID"]
[1947,"BrCCBr\n\n\n","BrCCBr","C(CBr)Br","",1,"1,2-DIBROMOETHANE(1)","106-93-4(1)","1015","High Reliability"]
[1948,"ClCCBr\n\n\n","ClCCBr","C(CBr)Cl","",1,"1-BROMO-2-CHLOROETHANE(1)","107-04-0(1)","1025","High Reliability"]
[1949,"NC(=O)CBr\n\n\n","NC(=O)CBr","O=C(N)CBr","",1,"BROMOACETAMIDE(1)","683-57-8(1)","2628","High Reliability"]
[1950,"CC(Cl)Cl\n\n\n","CC(Cl)Cl","CC(Cl)Cl","",1,"1,1-DICHLOROETHANE(1)","75-34-3(1)","344","High Reliability"]
[1951,"ClCCCl\n\n\n","ClCCCl","C(CCl)Cl","",1,"1,2-DICHLOROETHANE(1)","107-06-2(1)","1027","High Reliability"]
[1952,"ClCOCCl\n\n\n","ClCOCCl","O(CCl)CCl","",1,"BIS(CHLOROMETHYL) ETHER(1)","542-88-1(1)","2094","High Reliability"]
[1953,"CC(Cl)S(Cl)(=O)=O\n\n\n","CC(S(=O)(=O)Cl)Cl","O=S(=O)(C(C)Cl)Cl","",1,"Ethanesulfonyl chloride, 1-chloro-(1)","3518-66-9(1)","3390","Medium Reliability"]
[1954,"FCCCl\n\n\n","FCCCl","FCCCl","",1,"1-Chloro-2-fluoroethane(1)","762-50-5(1)","2676","High Reliability"]
[1955,"NC(=O)CCl\n\n\n","NC(=O)CCl","O=C(N)CCl","",1,"CHLOROACETAMIDE(1)","79-07-2(1)","463","High Reliability"]
[1956,"CC(Cl)[N+]([O-])=O\n\n\n","[O-][N+](=O)C(Cl)C","O=[N+]([O-])C(C)Cl","",1,"ETHANE, 1-CHLORO-1-NITRO-(1)","598-92-5(1)","2355","High Reliability"]
[1957,"CC(F)F\n\n\n","CC(F)F","FC(F)C","",1,"1,1-DIFLUOROETHANE(1)","75-37-6(1)","346","High Reliability"]
[1958,"NC(=O)CF\n\n\n","NC(=O)CF","O=C(N)CF","",1,"FLUOROACETAMIDE(1)","640-19-7(1)","2606","High Reliability"]
[1959,"ICCI\n\n\n","ICCI","C(CI)I","",1,"ETHANE, 1,2-DIIODO-(1)","624-73-7(1)","2509","High Reliability"]
[1960,"NC(=O)C(N)=O\n\n\n","NC(=O)C(=O)N","O=C(N)C(=O)N","",1,"OXAMIDE(1)","471-46-5(1)","1828","High Reliability"]
[1961,"NC(=N)NC#N\nNC(N)=NC#N\n\n","NC(=N)NC#N","N#CNC(=N)N","",1,"2-CYANOGUANIDINE(1)","461-58-5(1)","1803","High Reliability"]
[1962,"Nc1n[nH]cn1\nNc1[nH]ncn1\n\n","Nc1ncn[nH]1","n1cnc(N)[nH]1","",1,"AMITROLE(1)","61-82-5(1)","202","Medium Reliability"]
[1963,"CC=O\n\n\n","CC=O","O=CC","",1,"ACETALDEHYDE(1)","75-07-0(1)","327","High Reliability"]
[1964,"C1CO1\n\n\n","O1CC1","O1CC1","",1,"ETHYLENE OXIDE(1)","75-21-8(1)","336","High Reliability"]
[1965,"CC(O)=O\n\n\n","CC(=O)O","O=C(O)C","",1,"ACETIC ACID(1)","64-19-7(1)","227","High Reliability"]
[1966,"COC=O\n\n\n","COC=O","O=COC","",1,"METHYLFORMATE(1)","107-31-3(1)","1041","High Reliability"]
[1967,"OC(=O)CS\n\n\n","OC(=O)CS","O=C(O)CS","",1,"MERCAPTOACETIC ACID(1)","68-11-1(1)","258","High Reliability"]
[1968,"CC(=O)OO\n\n\n","CC(=O)OO","O=C(OO)C","",1,"PEROXYACETIC ACID(1)","79-21-0(1)","471","High Reliability"]
[1969,"O=S1OCCO1\n\n\n","O=S1OCCO1","O=S1OCCO1","",1,"1,3,2-Dioxathiolane, 2-oxide(1)","3741-38-6(1)","3428","High Reliability"]
[1970,"CCBr\n\n\n","CCBr","CCBr","",1,"BROMOETHANE(1)","74-96-4(1)","318","High Reliability"]
[1971,"OCCBr\n\n\n","OCCBr","OCCBr","",1,"2-BROMOETHANOL(1)","540-51-2(1)","2068","High Reliability"]
[1972,"CCCl\n\n\n","CCCl","CCCl","",1,"CHLOROETHANE(1)","75-00-3(1)","322","High Reliability"]
[1973,"OCCCl\n\n\n","OCCCl","OCCCl","",1,"2-CHLOROETHANOL(1)","107-07-3(1)","1028","High Reliability"]
[1974,"CCF\n\n\n","CCF","FCC","",1,"FLUOROETHANE(1)","353-36-6(1)","1751","High Reliability"]
[1975,"OCCF\n\n\n","OCCF","FCCO","",1,"2-FLUOROETHANOL(1)","371-62-0(1)","1760","High Reliability"]
[1976,"CCI\n\n\n","CCI","CCI","",1,"IODOETHANE(1)","75-03-6(1)","324","High Reliability"]
[1977,"C1CN1\n\n\n","N1CC1","N1CC1","",1,"AZIRIDINE(1)","151-56-4(1)","1631","High Reliability"]
[1978,"CN(N=O)C(N)=O\n\n\n","O=NN(C(=O)N)C","O=NN(C(=O)N)C","",1,"1-NITROSO-1-METHYLUREA(1)","684-93-5(1)","2631","High Reliability"]
[1979,"NC(=O)NC(N)=O\n\n\n","NC(=O)NC(=O)N","O=C(N)NC(=O)N","",1,"Imidodicarbonic diamide(1)","108-19-0(1)","1072","High Reliability"]
[1980,"NC(=S)NC(N)=S\n\n\n","NC(=S)NC(=S)N","NC(NC(N)=S)=S","",1,"thioimidodicarbonicdiamide(1)","541-53-7(1)","2084","High Reliability","Name verified in PubChem"]
[1981,"CN(C(N)=N[N+]([O-])=O)[N+]([O-])=O\nCN(C(=N)N[N+]([O-])=O)[N+]([O-])=O\n\n","[O-][N+](=O)N=C(N([N+](=O)[O-])C)N","O=[N+]([O-])N=C(N)N([N+](=O)[O-])C","",1,"Guanidine, N-methyl-N,N'-dinitro-(1)","6810-09-9(1)","3783","Medium Reliability","Stereochemistry removed"]
[1982,"CC(N)=O\n\n\n","CC(=O)N","O=C(N)C","",1,"ACETAMIDE(1)","60-35-5(1)","189","High Reliability"]
[1983,"CNC=O\n\n\n","CNC=O","O=CNC","",1,"METHYLFORMAMIDE(1)","123-39-7(1)","1416","High Reliability"]
[1984,"CC[N+]([O-])=O\n\n\n","[O-][N+](=O)CC","O=[N+]([O-])CC","",1,"NITROETHANE(1)","79-24-3(1)","472","High Reliability"]
[1985,"COC(N)=O\n\n\n","COC(=O)N","O=C(OC)N","",1,"O-METHYL CARBAMATE(1)","598-55-0(1)","2349","High Reliability"]
[1986,"NCC(O)=O\n\n\n","NCC(=O)O","O=C(O)CN","",1,"GLYCINE(1)","56-40-6(1)","95","High Reliability"]
[1987,"OCC[N+]([O-])=O\n\n\n","[O-][N+](=O)CCO","O=[N+]([O-])CCO","",1,"2-NITROETHANOL(1)","625-48-9(1)","2519","High Reliability"]
[1988,"CC(N)=S\n\n\n","CC(=S)N","NC(C)=S","",1,"THIOACETAMIDE(1)","62-55-5(1)","209","High Reliability"]
[1989,"OC(=O)CP(O)(O)=O\n\n\n","OC(=O)CP(=O)(O)O","O=C(O)CP(=O)(O)O","",1,"PHOSPHONOACETIC ACID(1)","4408-78-0(1)","3491","High Reliability"]
[1990,"CC\n\n\n","CC","CC","",1,"ETHANE(1)","74-84-0(1)","309","High Reliability"]
[1991,"OP(O)(=O)CCCl\n\n\n","ClCCP(=O)(O)O","O=P(O)(O)CCCl","",1,"ETHEPHON(1)","16672-87-0(1)","4109","High Reliability"]
[1992,"CN(C)N=O\n\n\n","O=NN(C)C","O=NN(C)C","",1,"N-NITROSODIMETHYLAMINE(1)","62-75-9(1)","215","High Reliability"]
[1993,"CNC(N)=O\n\n\n","CNC(=O)N","O=C(N)NC","",1,"UREA, METHYL-(1)","598-50-5(1)","2347","High Reliability"]
[1994,"NC(=O)NCO\n\n\n","NC(=O)NCO","O=C(N)NCO","",1,"HYDROXYMETHYL UREA(1)","1000-82-4(1)","2790","High Reliability"]
[1995,"OS(O)(=O)=O.NC(=N)NC(N)=O.NC(=N)NC(N)=O\nNC(N)=NC(N)=O.NC(N)=NC(N)=O.OS(O)(=O)=O\n\n","NC(=NC(=O)N)N","O=C(N=C(N)N)N","",1,"Dicyanodiamidine Sulfate(1)","591-01-5(1)","2294","Medium Reliability","Differences in counterions"]
[1996,"NC(=S)NNC(N)=S\n\n\n","NC(=S)NNC(=S)N","NC(NNC(N)=S)=S","",1,"1,2-hydrazinecarbothioamide(1)","142-46-1(1)","1581","Medium Reliability","Name verified in PubChem"]
[1997,"CCO\n\n\n","CCO","OCC","",1,"ETHANOL(1)","64-17-5(1)","225","Medium Reliability"]
[1998,"COC\n\n\n","COC","O(C)C","",1,"DIMETHYL ETHER(1)","115-10-6(1)","1271","High Reliability"]
[1999,"OCCO\n\n\n","OCCO","OCCO","",1,"ETHYLENE GLYCOL(1)","107-21-1(1)","1038","High Reliability"]
[2000,"COS(=O)(=O)OC\n\n\n","COS(=O)(=O)OC","O=S(=O)(OC)OC","",1,"DIMETHYLSULFATE(1)","77-78-1(1)","423","High Reliability"]
[2001,"OCCS(O)(=O)=O\n\n\n","OCCS(=O)(=O)O","O=S(=O)(O)CCO","",1,"Isethionic Acid(1)","107-36-8(1)","1043","High Reliability"]
[2002,"CS(C)=O\n\n\n","CS(=O)C","O=S(C)C","",1,"DIMETHYL SULFOXIDE(1)","67-68-5(1)","254","High Reliability"]
[2003,"OCCS\n\n\n","OCCS","OCCS","",1,"Ethanol, 2-mercapto-(1)","60-24-2(1)","184","High Reliability"]
[2004,"CCS\n\n\n","CCS","CCS","",1,"ETHYL MERCAPTAN(1)","75-08-1(1)","328","High Reliability"]
[2005,"CSC\n\n\n","CSC","CSC","",1,"DIMETHYLSULFIDE(1)","75-18-3(1)","334","High Reliability"]
[2006,"CSSC\n\n\n","CSSC","CSSC","",1,"DIMETHYLDISULFIDE(1)","624-92-0(1)","2510","High Reliability"]
[2007,"CCN\n\n\n","CCN","NCC","",1,"ETHYLAMINE(1)","75-04-7(1)","325","High Reliability"]
[2008,"CNC\n\n\n","CNC","N(C)C","",1,"DIMETHYLAMINE(1)","124-40-3(1)","1446","High Reliability"]
[2009,"CNC(N)=N\nCN=C(N)N\n\n","CNC(=N)N","N=C(N)NC","",1,"METHYLGUANIDINE(1)","471-29-4(1)","1827","High Reliability"]
[2010,"NCCO\n\n\n","NCCO","OCCN","",1,"ETHANOLAMINE(1)","141-43-5(1)","1565","High Reliability"]
[2011,"NCCS(O)(=O)=O\n\n\n","NCCS(=O)(=O)O","O=S(=O)(O)CCN","",1,"TAURINE(1)","107-35-7(1)","1042","High Reliability"]
[2012,"CS(=O)(=O)NS(C)(=O)=O\n\n\n","CS(=O)(=O)NS(=O)(=O)C","O=S(=O)(NS(=O)(=O)C)C","",1,"Methanesulfonamide, N-(methylsulfonyl)-(1)","5347-82-0(1)","3591","High Reliability"]
[2013,"CNNC\n\n\n","CNNC","N(NC)C","",1,"1,2-DIMETHYLHYDRAZINE(1)","540-73-8(1)","2072","High Reliability"]
[2014,"CN(C)N\n\n\n","CN(N)C","NN(C)C","",1,"1,1-DIMETHYLHYDRAZINE(1)","57-14-7(1)","120","High Reliability"]
[2015,"NCCN\n\n\n","NCCN","NCCN","",1,"1,2-DIAMINOETHANE(1)","107-15-3(1)","1035","High Reliability"]
[2016,"NNCCO\n\n\n","NNCCO","OCCNN","",1,"Ethanol, 2-hydrazino-(1)","109-84-2(1)","1149","High Reliability"]
[2017,"COP(N)(=O)SC\n\n\n","COP(=O)(SC)N","O=P(OC)(N)SC","",1,"METHAMIDOPHOS(1)","10265-92-6(1)","3908","High Reliability"]
[2018,"CC(O)(P(O)(O)=O)P(O)(O)=O\n\n\n","CC(P(=O)(O)O)(P(=O)(O)O)O","O=P(O)(O)C(O)(C)P(=O)(O)O","",1,"Phosphonic acid, (1-hydroxyethylidene)bis-(1)","2809-21-4(1)","3287","High Reliability"]
[2019,"OC(=O)C(Br)(Br)Br\n[O-]C(=O)C(Br)(Br)Br\n\n","OC(=O)C(Br)(Br)Br","O=C(O)C(Br)(Br)Br","",1,"Acetic acid, tribromo-(1)","75-96-7(1)","375","High Reliability"]
[2020,"FC(F)(F)C(Cl)Br\n\n\n","ClC(C(F)(F)F)Br","FC(F)(F)C(Cl)Br","",1,"HALOTHANE(1)","151-67-7(1)","1632","High Reliability"]
[2021,"FC(Br)C(F)(F)F\n\n\n","FC(C(F)(F)F)Br","FC(C(F)(F)F)Br","",1,"2-Bromo-1,1,1,2-tetrafluoroethane(1)","124-72-1(1)","1451","High Reliability"]
[2022,"FC(F)(F)C(Cl)Cl\n\n\n","ClC(C(F)(F)F)Cl","FC(F)(F)C(Cl)Cl","",1,"1,1,1-TRIFLUORO-2,2-DICHLOROETHANE(1)","306-83-2(1)","1715","High Reliability"]
[2023,"ClC=C(Cl)Cl\n\n\n","ClC=C(Cl)Cl","C(=C(Cl)Cl)Cl","",1,"TRICHLOROETHENE(1)","79-01-6(1)","461","High Reliability"]
[2024,"ClC(Cl)(Cl)C=O\n\n\n","O=CC(Cl)(Cl)Cl","O=CC(Cl)(Cl)Cl","",1,"TRICHLOROACETALDEHYDE(1)","75-87-6(1)","372","High Reliability"]
[2025,"OC(=O)C(Cl)(Cl)Cl\n\n\n","OC(=O)C(Cl)(Cl)Cl","O=C(O)C(Cl)(Cl)Cl","",1,"TRICHLOROACETIC ACID(1)","76-03-9(1)","381","High Reliability"]
[2026,"ClC(Cl)C(Cl)(Cl)Cl\n\n\n","ClC(C(Cl)(Cl)Cl)Cl","C(C(Cl)(Cl)Cl)(Cl)Cl","",1,"PENTACHLOROETHANE(1)","76-01-7(1)","380","High Reliability"]
[2027,"OC(=O)C(F)(F)Cl\n\n\n","OC(=O)C(Cl)(F)F","O=C(O)C(F)(F)Cl","",1,"Acetic acid, chlorodifluoro-(1)","76-04-0(1)","382","High Reliability"]
[2028,"FC(Cl)C(F)(F)F\n\n\n","FC(C(F)(F)F)Cl","FC(C(F)(F)F)Cl","",1,"1-Chloro-1,2,2,2-Tetrafluoroethane(1)","2837-89-0(1)","3294","High Reliability"]
[2029,"OC(=O)C(F)(F)F\n\n\n","OC(=O)C(F)(F)F","O=C(O)C(F)(F)F","",1,"TRIFLUOROACETIC ACID(1)","76-05-1(1)","383","High Reliability"]
[2030,"Cc1cccc(C)c1NC(=O)CN2CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC2\n\n\n","O=C(Nc1c(C)cccc1C)CN1CCN(CC1)CCCC(c1ccc(cc1)F)c1ccc(cc1)F","O=C(Nc1c(cccc1C)C)CN2CCN(CC2)CCCC(c3ccc(F)cc3)c4ccc(F)cc4","",1,"LIDOFLAZINE(1)","3416-26-0(1)","3380","High Reliability"]
[2031,"CC(C)(C)CC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC23C\n\n\n","O=C(CC(C)(C)C)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C","O=C1C=CC4(C(=C1)CCC3C5CC2OC(OC2(C(=O)COC(=O)CC(C)(C)C)C5(C)(CC(O)C34(F)))(C)C)(C)","",1,"TRIAMCINOLONE HEXACETONIDE(1)","5611-51-8(1)","3636","High Reliability","Stereochemistry removed"]
[2032,"[H]C12CCC3([H])C([H])(CCC4(C)C(CCC34O)C5=CC(=O)OC5)C1(CCC(C2)OC6([H])OC(C)C(O)C(OC)C6O)C=O\nCOC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C2)C1O\n\n","COC1C(O)C(OC2CCC3(C(C2)CCC2C3CCC3(C2(O)CCC3C2=CC(=O)OC2)C)C=O)OC(C1O)C","O=CC56(CCC(OC1OC(C)C(O)C(OC)C1(O))CC6(CCC3C5(CCC4(C)(C(C2=CC(=O)OC2)CCC34(O)))))","",1,"PERUVOSIDE(1)","1182-87-2(1)","2857","High Reliability","Stereochemistry removed"]
[2033,"CC1CCC2(CC3CC(CC=C(C)CC(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)OC1C\n\n\n","CC1C=CC=C2COC3C2(O)C(C=C(C3O)C)C(=O)OC2CC(CC=C(C1)C)OC1(C2)CCC(C(O1)C)C","O=C3OC2CC(OC1(OC(C)C(C)CC1)C2)CC=C(C)CC(C=CC=C4COC5C(O)C(=CC3C45(O))C)C","",1,"milbemectina3(1)","51596-10-2(1)","4816","Medium Reliability","Stereochemistry removed, Name verified in PubChem"]
[2034,"CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4\n\n\n","OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O","OC(c1ccc(cc1)C(C)(C)C)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4","",1,"Terfenadine(1)","50679-08-8(1)","4787","High Reliability"]
[2035,"CCC1OC2(CCC1C)CC3CC(CC=C(C)CC(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2\n\n\n","CCC1OC2(CCC1C)CC1CC(O2)CC=C(C)CC(C)C=CC=C2C3(C(C(=O)O1)C=C(C)C(C3OC2)O)O","O=C3OC2CC(OC1(OC(CC)C(C)CC1)C2)CC=C(C)CC(C=CC=C4COC5C(O)C(=CC3C45(O))C)C","",1,"Milbemectin A4(1)","51596-11-3(1)","4817","Medium Reliability","Stereochemistry removed"]
[2036,"CC=C(C)C(=O)OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(C)O)C5(O)CC24OC13O\n\n\n","CC=C(C(=O)OC1CCC2(C3C1(O)OC12CC2(C(C1CC3)(O)CC(C1(C2CN2CC(C)CCC2C1(C)O)O)O)O)C)C","O=C(OC3CCC6(C)(C4CCC5C7(O)(CC(O)C2(O)(C(CN1CC(C)CCC1C2(O)(C))C7(O)(CC56(OC34(O)))))))C(=CC)C","",1,"CEVADINE(1)","62-59-9(1)","212","High Reliability","Stereochemistry removed"]
[2037,"OC(C1=CC2C3C(C1C2=C(c4ccccc4)c5ccccn5)C(=O)NC3=O)(c6ccccc6)c7ncccc7\n[H+].[Cl-].OC(c1ccccc1)(c2ccccn2)C3=CC4C5C(C3C4=C(c6ccccc6)c7ccccn7)C(=O)NC5=O\n\n","O=C1NC(=O)C2C1C1C(=C(c3ccccn3)c3ccccc3)C2C=C1C(c1ccccn1)(c1ccccc1)O","O=C4NC(=O)C5C3C(=CC(C3(=C(c1ncccc1)c2ccccc2))C45)C(O)(c6ncccc6)c7ccccc7","",1,"NORBORMIDE(1)","991-42-4(1)","2784","High Reliability","Differences in counterions, Stereochemistry removed"]
[2038,"CC1=C(C=C)C(NC1=O)=Cc2c(C)c(CCC(O)=O)c(Cc3c(CCC(O)=O)c(C)c([nH]3)C=C4NC(=O)C(C=C)=C4C)[nH]2\nCC1=C(C=C)C(NC1=O)=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C\n\n","C=CC1=C(C)C(=Cc2[nH]c(c(c2C)CCC(=O)O)Cc2[nH]c(c(c2CCC(=O)O)C)C=C2NC(=O)C(=C2C=C)C)NC1=O","O=C(O)CCc2c([nH]c(C=C1NC(=O)C(=C1(C=C))C)c2C)Cc4[nH]c(C=C3NC(=O)C(C=C)=C3C)c(c4CCC(=O)O)C","",1,"Bilirubin(1)","635-65-4(1)","2589","High Reliability","Stereochemistry removed"]
[2039,"[H]C12CC(OC(=O)c3cc(OC)c(OC)c(OC)c3)C(OC)C(C(=O)OC)C1([H])CC4([H])N(CCc5c4[nH]c6c5ccc(OC)c6)C2\nCOC1C(CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6\n\n","COc1ccc2c(c1)[nH]c1c2CCN2C1CC1C(C2)CC(C(C1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC","O=C(OC3CC4CN2CCc1c5ccc(OC)cc5([nH]c1C2CC4(C(C(=O)OC)C3(OC))))c6cc(OC)c(OC)c(OC)c6","",1,"RESERPINE(1)","50-55-5(1)","27","High Reliability","Stereochemistry removed"]
[2040,"CCN1CC2(COC)C3C(OC)C4C1C3(C5CC6(O)C(OC(=O)c7ccccc7)C5C4(OC(C)=O)C(O)C6OC)C(CC2O)OC\n\n\n","COCC12CN(CC)C3C4(C2C(OC)C3C2(C3C4CC(C3OC(=O)c3ccccc3)(C(C2O)OC)O)OC(=O)C)C(CC1O)OC","O=C(OC1C6C4CC1(O)C(OC)C(O)C6(OC(=O)C)(C2C(OC)C5C3(COC)(CN(CC)C2C45(C(OC)CC3(O)))))c7ccccc7","",1,"ACONITINE(1)","302-27-2(1)","1708","High Reliability","Stereochemistry removed"]
[2041,"COC(=O)C1(O)OCC23C4C(OCC4(C(CC2OC(=O)C(C)=CC)OC(C)=O)C(=O)OC)C(O)C(C)(C13)C56OC5(C)C7CC6OC8OC=CC78O\n\n\n","CC=C(C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)C(=O)OC)C","O=C(OC1CC(OC(=O)C)C3(C(=O)OC)(COC2C(O)C(C)(C4C(O)(OCC14(C23))C(=O)OC)C78(OC8(C)(C6CC7(OC5OC=CC56(O))))))C(=CC)C","",1,"Azadirachtin(1)","11141-17-6(1)","3936","Medium Reliability","Stereochemistry removed"]
[2042,"CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n\n\n","CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC","",1,"HEXATRIACONTANE(1)","630-06-8(1)","2571","High Reliability"]
[2043,"Cln1c(=O)n(Cl)c(=O)n(Cl)c1=O\n\n\n","O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl","O=C1N(C(=O)N(C(=O)N1Cl)Cl)Cl","",1,"1,3,5-TRICHLOROISOCYANURIC ACID(1)","87-90-1(1)","604","High Reliability"]
[2044,"ClC(Cl)=C(Cl)C(Cl)(Cl)Cl\n\n\n","ClC(=C(C(Cl)(Cl)Cl)Cl)Cl","C(=C(Cl)Cl)(C(Cl)(Cl)Cl)Cl","",1,"PERCHLOROPROPYLENE(1)","1888-71-7(1)","3013","High Reliability"]
[2045,"FC(F)(F)C(F)(F)C(F)(F)F\n\n\n","FC(C(F)(F)F)(C(F)(F)F)F","FC(F)(F)C(F)(F)C(F)(F)F","",1,"OCTAFLUOROPROPANE(1)","76-19-7(1)","391","High Reliability"]
[2046,"OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O\n[K+].[K+].[K+].[K+].[K+].[K+].[O-]P([O-])(=O)CN(CP([O-])([O-])=O)CP([O-])([O-])=O\n\n","OP(=O)(CN(CP(=O)(O)O)CP(=O)(O)O)O","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O","",1,"(Nitrilotris(methylene))triphosphonic acid(1)","6419-19-8(1)","3753","High Reliability","Differences in counterions"]
[2047,"NC(=O)C(Br)(Br)C#N\n\n\n","N#CC(C(=O)N)(Br)Br","N#CC(C(=O)N)(Br)Br","",1,"2,2-DIBROMO-2-CYANOACETAMIDE(1)","10222-01-2(1)","3906","High Reliability"]
[2048,"OC(=O)C=C(Br)Br\n\n\n","BrC(=CC(=O)O)Br","O=C(O)C=C(Br)Br","",1,"2-Propenoic acid, 3,3-dibromo-(1)","1578-21-8(1)","2932","Medium Reliability"]
[2049,"OC(=O)C(I)=CBr\n\n\n","OC(=O)C(=CBr)I","O=C(O)C(=CBr)I","",1,"3-Bromo-2-iodo-acrylic acid(1)","39121-35-2(1)","4703","Medium Reliability"]
[2050,"FC(F)OC(Cl)C(F)(F)F\n\n\n","FC(OC(C(F)(F)F)Cl)F","FC(F)OC(C(F)(F)F)Cl","",1,"ISOFLURANE(1)","26675-46-7(1)","4426","High Reliability"]
[2051,"FC(F)OC(F)(F)C(F)Cl\n\n\n","FC(OC(C(Cl)F)(F)F)F","FC(F)OC(F)(F)C(F)Cl","",1,"ETHRANE [HALOETHER](1)","13838-16-9(1)","4000","Medium Reliability"]
[2052,"N#CCC#N\n\n\n","N#CCC#N","N#CCC#N","",1,"MALONONITRILE(1)","109-77-3(1)","1145","High Reliability"]
[2053,"O=C1NC(=O)C(=O)N1\n\n\n","O=C1NC(=O)C(=O)N1","O=C1NC(=O)C(=O)N1","",1,"Imidazolidinetrione(1)","120-89-8(1)","1366","High Reliability"]
[2054,"BrCC#C\n\n\n","BrCC#C","C#CCBr","",1,"1-Propyne, 3-bromo-(1)","106-96-7(1)","1018","High Reliability"]
[2055,"ClC(Cl)C(Cl)C(Cl)Cl\n\n\n","ClC(C(Cl)Cl)C(Cl)Cl","C(C(Cl)Cl)(C(Cl)Cl)Cl","",1,"1,1,2,3,3-PENTACHLOROPROPANE(1)","15104-61-7(1)","4053","High Reliability"]
[2056,"C=CC#N\n\n\n","C=CC#N","N#CC=C","",1,"ACRYLONITRILE(1)","107-13-1(1)","1033","High Reliability"]
[2057,"Oc1nc(O)nc(O)n1\nO=c1[nH]c(=O)[nH]c(=O)[nH]1\n\n","Oc1nc(O)nc(n1)O","Oc1nc(O)nc(O)n1","",1,"CYANURIC ACID(1)","108-80-5(1)","1101","High Reliability"]
[2058,"o1cccn1\n\n\n","c1ccno1","n1occc1","",1,"ISO-OXAZOLE(1)","288-14-2(1)","1679","Medium Reliability"]
[2059,"O=C1CSC(=S)N1\n\n\n","O=C1CSC(=S)N1","O=C1NC(=S)SC1","",1,"4-Thiazolidinone, 2-thioxo-(1)","141-84-4(1)","1573","High Reliability"]
[2060,"CC#C\n\n\n","CC#C","C#CC","",1,"PROPYNE(1)","74-99-7(1)","321","High Reliability"]
[2061,"ClCC(Cl)=C\nCC(Cl)=CCl\n\n","ClCC(=C)Cl","C=C(CCl)Cl","",2,"2,3-DICHLOROPROPENE(1), 1,2-DICHLOROPROPENE(1)","78-88-6(1), 563-54-2(1)","454, 2180","High Reliability","Stereochemistry removed"]
[2062,"ClCC=CCl\n\n\n","ClCC=CCl","C(=CCl)CCl","",2,"1,3-DICHLOROPROPENE, (Z)(1), 1,3-DICHLOROPROPENE (TRANS)(1)","10061-01-5(1), 10061-02-6(1)","3898, 3899","Medium Reliability","Stereochemistry removed"]
[2063,"COC(F)(F)C(Cl)Cl\n\n\n","COC(C(Cl)Cl)(F)F","FC(F)(OC)C(Cl)Cl","",1,"METHOXYFLURANE(1)","76-38-0(1)","396","High Reliability"]
[2064,"CC(Cl)(Cl)C(O)=O\n\n\n","OC(=O)C(Cl)(Cl)C","O=C(O)C(C)(Cl)Cl","",1,"DALAPON(1)","75-99-0(1)","378","High Reliability"]
[2065,"NC(=O)OCC(Cl)(Cl)Cl\nCC(Cl)OC(=O)N(Cl)Cl\n\n","NC(=O)OCC(Cl)(Cl)Cl","O=C(OCC(Cl)(Cl)Cl)N","",1,"trichlorourethan(1)","107-69-7(1)","1051","High Reliability","Name verified in PubChem"]
[2066,"ClCC(Cl)(Cl)CCl\n\n\n","ClCC(CCl)(Cl)Cl","C(C(CCl)(Cl)Cl)Cl","",1,"PROPANE, 1,2,2,3-TETRACHLORO-(1)","13116-53-5(1)","3954","High Reliability"]
[2067,"Nc1nc(Cl)nc(N)n1\n\n\n","Nc1nc(N)nc(n1)Cl","n1c(nc(nc1N)Cl)N","",1,"2-CHLORO-4,6-DIAMINO-S-TRIAZINE(1)","3397-62-4(1)","3377","High Reliability"]
[2068,"NC(=O)C(Cl)=C\n\n\n","ClC(=C)C(=O)N","O=C(N)C(=C)Cl","",1,"2-Propenamide, 2-chloro-(1)","16490-68-9(1)","4104","High Reliability"]
[2069,"[nH]1cccn1\n\n\n","c1ccn[nH]1","n1ccc[nH]1","",1,"PYRAZOLE(1)","288-13-1(1)","1678","High Reliability"]
[2070,"NC(=O)CC#N\n\n\n","NC(=O)CC#N","N#CCC(=O)N","",1,"Acetamide, 2-cyano-(1)","107-91-5(1)","1058","High Reliability"]
[2071,"O=C1CNC(=O)N1\n\n\n","O=C1NCC(=O)N1","O=C1NC(=O)CN1","",1,"HYDANTOIN(1)","461-72-3(1)","1804","High Reliability"]
[2072,"OS(=O)(=O)c1cnc[nH]1\nOS(=O)(=O)c1c[nH]cn1\n\n","OS(=O)(=O)c1[nH]cnc1","O=S(=O)(O)c1cnc[nH]1","",1,"1H-Imidazole-4-sulfonic acid(1)","60634-74-4(1)","4997","Medium Reliability","Checked on PubChem"]
[2073,"OS(=O)(=O)c1ncc[nH]1\n\n\n","OS(=O)(=O)c1ncc[nH]1","O=S(=O)(O)c1ncc[nH]1","",1,"1H-Imidazole-2-sulfonic acid(1)","53744-47-1(1)","4876","Medium Reliability"]
[2074,"Cc1cnns1\n\n\n","Cc1cnns1","n1nsc(c1)C","",1,"1,2,3-THIADIAZOLE, 5-METHYL-(1)","50406-54-7(1)","4781","High Reliability"]
[2075,"Nc1nc(=O)[nH]c(=O)[nH]1\n\n\n","Nc1nc(=O)[nH]c(=O)[nH]1","O=C1N=C(N)NC(=O)N1","",1,"1,3,5-Triazin-2,4-dione, 6-amino-(1)","645-93-2(1)","2616","Medium Reliability"]
[2076,"C=CC=O\nOCC#C\n\n","C=CC=O","O=CC=C","",2,"ACROLEIN(1), PROPARGYL ALCOHOL(1)","107-02-8(1), 107-19-7(1)","1023, 1037","High Reliability"]
[2077,"OC(=O)C=C\n\n\n","OC(=O)C=C","O=C(O)C=C","",1,"ACRYLIC ACID(1)","79-10-7(1)","466","High Reliability"]
[2078,"O=CC1CO1\n\n\n","C1OC1C=O","O=CC1OC1","",1,"GLYCIDYLALDEHYDE(1)","765-34-4(1)","2681","High Reliability"]
[2079,"O=C1CCO1\n\n\n","C1COC1=O","O=C1OCC1","",1,"BETA-PROPIOLACTONE(1)","57-57-8(1)","132","High Reliability"]
[2080,"CC(=O)C(O)=O\n\n\n","OC(=O)C(=O)C","O=C(O)C(=O)C","",1,"PYRUVIC ACID(1)","127-17-3(1)","1469","High Reliability"]
[2081,"O=C1OCCO1\n\n\n","O=C1OCCO1","O=C1OCCO1","",1,"1,3-DIOXOLAN-2-ONE(1)","96-49-1(1)","780","High Reliability"]
[2082,"OC(=O)CC(O)=O\n\n\n","OC(=O)CC(=O)O","O=C(O)CC(=O)O","",1,"MALONIC ACID(1)","141-82-2(1)","1572","High Reliability"]
[2083,"BrCC=C\n\n\n","BrCC=C","C=CCBr","",1,"3-BROMO-1-PROPENE(1)","106-95-6(1)","1017","High Reliability"]
[2084,"ClCC(Br)CBr\n\n\n","ClCC(CBr)Br","C(C(CBr)Br)Cl","",1,"1,2-DIBROMO-3-CHLOROPROPANE(1)","96-12-8(1)","765","High Reliability"]
[2085,"ClCC=C\n\n\n","ClCC=C","C=CCCl","",1,"3-CHLOROPROPYLENE(1)","107-05-1(1)","1026","Medium Reliability"]
[2086,"NC(=O)C(Cl)CCl\n\n\n","NC(=O)C(CCl)Cl","O=C(N)C(CCl)Cl","",1,"Propanamide, 2,3-dichloro-(1)","19433-84-2(1)","4226","High Reliability","Checked on PubChem, Checked on ChemID"]
[2087,"CCC(Cl)(Cl)[N+]([O-])=O\n\n\n","CCC([N+](=O)[O-])(Cl)Cl","O=[N+]([O-])C(CC)(Cl)Cl","",1,"1,1-Dichloro-1-nitropropane(1)","595-44-8(1)","2332","High Reliability"]
[2088,"CC(Cl)C(Cl)Cl\n\n\n","ClC(C(Cl)C)Cl","CC(C(Cl)Cl)Cl","",1,"1,1,2-TRICHLOROPROPANE(1)","598-77-6(1)","2352","High Reliability"]
[2089,"CCC(Cl)(Cl)Cl\n\n\n","CCC(Cl)(Cl)Cl","CCC(Cl)(Cl)Cl","",1,"1,1,1-TRICHLOROPROPANE(1)","7789-89-1(1)","3886","High Reliability"]
[2090,"ClCC(Cl)CCl\n\n\n","ClCC(CCl)Cl","C(C(CCl)Cl)Cl","",1,"1,2,3-TRICHLOROPROPANE(1)","96-18-4(1)","768","High Reliability"]
[2091,"NC(=O)NC(O)C(Cl)(Cl)Cl\n\n\n","OC(C(Cl)(Cl)Cl)NC(=O)N","O=C(N)NC(O)C(Cl)(Cl)Cl","",1,"Urea, (2,2,2-trichloro-1-hydroxyethyl)-(1)","2000-40-0(1)","3061","High Reliability","Checked on PubChem, Checked on ChemID"]
[2092,"CC(O)C(Cl)(Cl)Cl\n\n\n","CC(C(Cl)(Cl)Cl)O","OC(C)C(Cl)(Cl)Cl","",1,"1,1,1-Trichloro-2-propanol(1)","76-00-6(1)","379","High Reliability","Checked on PubChem, Checked on ChemID"]
[2093,"CC(=O)CCl\n\n\n","CC(=O)CCl","O=C(C)CCl","",1,"CHLOROACETONE(1)","78-95-5(1)","457","High Reliability"]
[2094,"ClCC1CO1\n\n\n","ClCC1CO1","O1CC1CCl","",1,"1-CHLORO-2,3-EPOXYPROPANE(1)","106-89-8(1)","1014","High Reliability"]
[2095,"CC(Cl)C(O)=O\n\n\n","CC(C(=O)O)Cl","O=C(O)C(C)Cl","",1,"2-CHLOROPROPIONIC ACID(1)","598-78-7(1)","2353","High Reliability"]
[2096,"COC(=O)CCl\n\n\n","COC(=O)CCl","O=C(OC)CCl","",1,"METHYL CHLOROACETATE(1)","96-34-4(1)","775","High Reliability"]
[2097,"CC(O)C(F)(F)F\n\n\n","CC(C(F)(F)F)O","FC(F)(F)C(O)C","",1,"1,1,1-TRIFLUORO-2-PROPANOL(1)","374-01-6(1)","1764","High Reliability"]
[2098,"OC(=O)CCI\n\n\n","OC(=O)CCI","O=C(O)CCI","",1,"3-IODOPROPIONIC ACID(1)","141-76-4(1)","1569","Medium Reliability"]
[2099,"CCC#N\n\n\n","CCC#N","N#CCC","",1,"PROPIONITRILE(1)","107-12-0(1)","1032","High Reliability"]
[2100,"NC(=O)C(=NO)C(N)=O\n\n\n","ON=C(C(=O)N)C(=O)N","O=C(N)C(=NO)C(=O)N","",1,"Propanediamide, 2-(hydroxyimino)-(1)","71721-66-9(1)","5168","High Reliability"]
[2101,"[O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O\nOCC(O)CO.O[N+]([O-])=O.O[N+]([O-])=O.O[N+]([O-])=O\n\n","[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(O[N+](=O)[O-])CO[N+](=O)[O-]","",1,"1,2,3-propanetrioltrinitrate(1)","55-63-0(1)","85","High Reliability","Name verified in PubChem"]
[2102,"COc1nsc(N)n1\n\n\n","COc1nsc(n1)N","n1c(nsc1N)OC","",1,"1,2,4-Thiadiazol-5-amine, 3-methoxy-(1)","98022-43-6(1)","5412","Medium Reliability"]
[2103,"Nc1nc(N)nc(=O)[nH]1\nNc1nc(=O)nc(N)[nH]1\n\n","Nc1nc(N)[nH]c(=O)n1","O=C1N=C(N=C(N)N1)N","",1,"1,3,5-Triazin-2(1H)-one, 4,6-diamino-(1)","645-92-1(1)","2615","High Reliability"]
[2104,"NC(=O)C=C\n\n\n","NC(=O)C=C","O=C(N)C=C","",1,"ACRYLAMIDE(1)","79-06-1(1)","462","High Reliability"]
[2105,"OCCC#N\n\n\n","OCCC#N","N#CCCO","",1,"ETHYLENE CYANOHYDRIN(1)","109-78-4(1)","1146","High Reliability"]
[2106,"NC(=S)SCC(O)=O\n\n\n","OC(=O)CSC(=S)N","O=C(O)CSC(N)=S","",1,"Acetic acid, [(aminothioxomethyl)thio]-(1)","29596-83-6(1)","4489","Medium Reliability"]
[2107,"OC(=O)CNC=O\n\n\n","O=CNCC(=O)O","O=CNCC(=O)O","",1,"Glycine, N-formyl-(1)","2491-15-8(1)","3220","High Reliability"]
[2108,"C1CC1\n\n\n","C1CC1","C1CC1","",1,"CYCLOPROPANE(1)","75-19-4(1)","335","High Reliability"]
[2109,"CC=C\n\n\n","CC=C","C=CC","",1,"PROPENE(1)","115-07-1(1)","1270","High Reliability"]
[2110,"CC(Br)CBr\n\n\n","BrCC(Br)C","CC(CBr)Br","",1,"1,2-DIBROMOPROPANE(1)","78-75-1(1)","444","High Reliability"]
[2111,"BrCCCBr\n\n\n","BrCCCBr","C(CBr)CBr","",1,"1,3-DIBROMOPROPANE(1)","109-64-8(1)","1136","High Reliability"]
[2112,"OCC(Br)CBr\n\n\n","OCC(CBr)Br","OCC(CBr)Br","",1,"2,3-DIBROMO-1-PROPANOL(1)","96-13-9(1)","766","High Reliability"]
[2113,"CC(Br)CCl\n\n\n","CC(CCl)Br","CC(CCl)Br","",1,"2-BROMO-1-CHLOROPROPANE(1)","3017-95-6(1)","3314","High Reliability"]
[2114,"ClCCCBr\n\n\n","ClCCCBr","C(CCl)CBr","",1,"1-CHLORO-3-BROMOPROPANE(1)","109-70-6(1)","1142","High Reliability"]
[2115,"OCC(Br)(CO)[N+]([O-])=O\n\n\n","OCC([N+](=O)[O-])(CO)Br","O=[N+]([O-])C(CO)(CO)Br","",1,"1,3-Propanediol, 2-bromo-2-nitro-(1)","52-51-7(1)","62","High Reliability"]
[2116,"CCC(Cl)Cl\n\n\n","CCC(Cl)Cl","CCC(Cl)Cl","",1,"1,1-Dichloropropane(1)","78-99-9(1)","459","High Reliability"]
[2117,"CC(Cl)CCl\n\n\n","ClCC(Cl)C","CC(CCl)Cl","",1,"1,2-DICHLOROPROPANE(1)","78-87-5(1)","453","High Reliability"]
[2118,"ClCCCCl\n\n\n","ClCCCCl","C(CCl)CCl","",1,"1,3-DICHLOROPROPANE(1)","142-28-9(1)","1579","High Reliability"]
[2119,"OC(CCl)CCl\n\n\n","ClCC(CCl)O","OC(CCl)CCl","",1,"1,3-DICHLORO-2-PROPANOL(1)","96-23-1(1)","771","High Reliability"]
[2120,"CCC(Cl)[N+]([O-])=O\n\n\n","[O-][N+](=O)C(CC)Cl","O=[N+]([O-])C(CC)Cl","",1,"1-Chloro-1-nitropropane(1)","600-25-9(1)","2363","High Reliability"]
[2121,"CC(CCl)[N+]([O-])=O\n\n\n","[O-][N+](=O)C(CCl)C","O=[N+]([O-])C(C)CCl","",1,"1-Chloro-2-nitropropane(1)","37809-02-2(1)","4653","High Reliability","Stereochemistry removed"]
[2122,"COCC(F)F\n\n\n","COCC(F)F","FC(F)COC","",1,"Ethane, 1,1-difluoro-2-methoxy-(1)","461-57-4(1)","1802","Medium Reliability"]
[2123,"OC(CI)CI\n\n\n","ICC(CI)O","OC(CI)CI","",1,"2-PROPANOL, 1,3-DIIODO-(1)","534-08-7(1)","2028","High Reliability"]
[2124,"CC(=O)NC(N)=O\n\n\n","CC(=O)NC(=O)N","O=C(N)NC(=O)C","",1,"Acetamide, N-(aminocarbonyl)-(1)","591-07-1(1)","2295","High Reliability"]
[2125,"CC(C=NO)=NO\nCC(NO)=CN=O\n\n","ON=CC(=NO)C","ON=CC(=NO)C","",1,"Propanal, 2-(hydroxyimino)-, oxime(1)","1804-15-5(1)","2988","High Reliability","Stereochemistry removed"]
[2126,"CN(N=O)C(C)=O\n\n\n","O=NN(C(=O)C)C","O=NN(C(=O)C)C","",1,"N-Methyl-N-nitrosoacetamide(1)","7417-67-6(1)","3840","High Reliability"]
[2127,"NC(=O)CC(N)=O\n\n\n","NC(=O)CC(=O)N","O=C(N)CC(=O)N","",1,"Propanediamide(1)","108-13-4(1)","1070","High Reliability"]
[2128,"CN(CC(O)=O)N=O\n\n\n","O=NN(CC(=O)O)C","O=NN(C)CC(=O)O","",1,"N-NITROSOSARCOSINE(1)","13256-22-9(1)","3964","High Reliability"]
[2129,"NC(=O)NCC(O)=O\n\n\n","NC(=O)NCC(=O)O","O=C(N)NCC(=O)O","",1,"N-(AMINOCARBONYL)GLYCINE(1)","462-60-2(1)","1809","Medium Reliability"]
[2130,"CC(O)C(N(=O)=O)N(=O)=O\nCC(O)C([N+]([O-])=O)[N+]([O-])=O\n\n","CC(C([N+](=O)[O-])[N+](=O)[O-])O","O=[N+]([O-])C([N+](=O)[O-])C(O)C","",1,"2-Propanol, 1,1-dinitro-(1)","89167-84-0(1)","5334","Medium Reliability"]
[2131,"OC(CO[N+]([O-])=O)CO[N+]([O-])=O\n\n\n","OC(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(O)CO[N+](=O)[O-]","",1,"1,2,3-PROPANETRIOL, 1,3-DINITRATE(1)","623-87-0(1)","2499","High Reliability","Checked on PubChem, Checked on ChemID"]
[2132,"CC(=O)NC(N)=S\n\n\n","CC(=O)NC(=S)N","O=C(NC(N)=S)C","",1,"1-ACETYL-2-THIOUREA(1)","591-08-2(1)","2296","High Reliability"]
[2133,"S=C1NCCN1\n\n\n","S=C1NCCN1","N1C(NCC1)=S","",1,"ETHYLENETHIOUREA(1)","96-45-7(1)","777","High Reliability"]
[2134,"Nc1nc(N)nc(N)n1\n\n\n","Nc1nc(N)nc(n1)N","n1c(nc(nc1N)N)N","",1,"MELAMINE(1)","108-78-1(1)","1100","High Reliability"]
[2135,"[O-][N+](=O)N1CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)N1CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])C1","",1,"1,3,5,-TRINITROHEXAHYDRO-1,3,5-TRIAZINE(1)","121-82-4(1)","1381","Medium Reliability"]
[2136,"OCC=C\nCCC=O\n\n","OCC=C","OCC=C","",2,"ALLYL ALCOHOL(1), PROPIONALDEHYDE(1)","107-18-6(1), 123-38-6(1)","1036, 1415","High Reliability"]
[2137,"C1COC1\n\n\n","C1CCO1","O1CCC1","",1,"TRIMETHYLENEOXIDE(1)","503-30-0(1)","1923","High Reliability"]
[2138,"CC(C)=O\n\n\n","CC(=O)C","O=C(C)C","",1,"ACETONE(1)","67-64-1(1)","252","High Reliability"]
[2139,"CC1CO1\n\n\n","CC1CO1","O1CC1C","",1,"PROPYLENE OXIDE(1)","75-56-9(1)","355","High Reliability"]
[2140,"COC=C\n\n\n","COC=C","O(C=C)C","",1,"METHYLVINYLETHER(1)","107-25-5(1)","1040","High Reliability"]
[2141,"CCC(O)=O\n[Na+].CCC([O-])=O\n[Zn+2].CCC([O-])=O.CCC([O-])=O\n","CCC(=O)O","O=C(O)CC","",3,"PROPIONIC ACID(1), Sodium Propionate(1), Zinc Propionate(1)","79-09-4(1), 137-40-6(1), 557-28-8(1)","465, 1533, 2165","High Reliability","Organic counterion"]
[2142,"CCOC=O\n\n\n","CCOC=O","O=COCC","",1,"ETHYL FORMATE(1)","109-94-4(1)","1155","High Reliability"]
[2143,"C1COCO1\n\n\n","C1OCCO1","O1COCC1","",1,"1,3-DIOXALANE(1)","646-06-0(1)","2618","Medium Reliability"]
[2144,"COC(C)=O\n\n\n","COC(=O)C","O=C(OC)C","",1,"METHYL ACETATE(1)","79-20-9(1)","470","High Reliability"]
[2145,"CC(=O)CO\n\n\n","CC(=O)CO","O=C(C)CO","",1,"HYDROXYACETONE(1)","116-09-6(1)","1296","High Reliability"]
[2146,"OCC1CO1\n\n\n","OCC1CO1","OCC1OC1","",1,"OXIRANEMETHANOL(1)","556-52-5(1)","2158","High Reliability"]
[2147,"OC(=O)C(S)CS\n\n\n","OC(=O)C(CS)S","O=C(O)C(CS)S","",1,"Propanoic acid, 2,3-dimercapto-(1)","6220-25-3(1)","3716","High Reliability"]
[2148,"CC(O)C(O)=O\n[Na+].CC(O)C([O-])=O\n\n","OC(=O)C(O)C","O=C(O)C(O)C","",3,"LACTIC ACID(1), Sodium Lactate(1), A-HYDROXYPROPIONIC ACID(1)","50-21-5(1), 72-17-3(1), 598-82-3(1)","10, 290, 2354","High Reliability","Stereochemistry removed"]
[2149,"C1OCOCO1\n\n\n","O1COCOC1","O1COCOC1","",1,"1,3,5-TRIOXANE(1)","110-88-3(1)","1196","High Reliability"]
[2150,"COCC(O)=O\n\n\n","COCC(=O)O","O=C(O)COC","",1,"METHOXYACETIC ACID(1)","625-45-6(1)","2518","High Reliability"]
[2151,"OCC(O)C(O)=O\n[K+].OCC(O)C([O-])=O\n\n","OCC(C(=O)O)O","O=C(O)C(O)CO","",1,"Glyceric Acid(1)","473-81-4(1)","1834","High Reliability","Checked on PubChem, Checked on ChemID"]
[2152,"CCCBr\n\n\n","CCCBr","CCCBr","",1,"1-BROMOPROPANE(1)","106-94-5(1)","1016","High Reliability"]
[2153,"CC(C)Br\n\n\n","CC(Br)C","CC(C)Br","",1,"2-BROMOPROPANE(1)","75-26-3(1)","338","High Reliability"]
[2154,"OCCCBr\n\n\n","OCCCBr","OCCCBr","",1,"3-BROMOPROPANOL(1)","627-18-9(1)","2541","High Reliability"]
[2155,"CCCCl\n\n\n","CCCCl","CCCCl","",1,"1-CHLOROPROPANE(1)","540-54-5(1)","2069","High Reliability"]
[2156,"CC(C)Cl\n\n\n","CC(Cl)C","CC(C)Cl","",1,"2-CHLOROPROPANE(1)","75-29-6(1)","341","High Reliability"]
[2157,"COCCCl\n\n\n","COCCCl","O(C)CCCl","",1,"Ethane, 1-chloro-2-methoxy-(1)","627-42-9(1)","2545","High Reliability"]
[2158,"OCCCCl\n\n\n","OCCCCl","OCCCCl","",1,"3-CHLORO-1-PROPANOL(1)","627-30-5(1)","2544","High Reliability"]
[2159,"OCC(O)CCl\n\n\n","OCC(CCl)O","OCC(O)CCl","",1,"3-CHLORO-1,2-PROPANEDIOL(1)","96-24-2(1)","772","High Reliability"]
[2160,"CC(C)I\n\n\n","CC(I)C","CC(C)I","",1,"2-IODOPROPANE(1)","75-30-9(1)","342","High Reliability"]
[2161,"NCC=C\n\n\n","NCC=C","C=CCN","",1,"ALLYLAMINE(1)","107-11-9(1)","1031","High Reliability"]
[2162,"CC1CN1\n\n\n","CC1CN1","N1CC1C","",1,"2-METHYLAZIRIDINE(1)","75-55-8(1)","354","High Reliability"]
[2163,"CC=NNC(N)=O\n\n\n","CC=NNC(=O)N","O=C(N)NN=CC","",1,"Hydrazinecarboxamide, 2-ethylidene-(1)","591-86-6(1)","2308","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[2164,"CCN(N=O)C(N)=O\n\n\n","CCN(C(=O)N)N=O","O=NN(C(=O)N)CC","",1,"N-ETHYL-N-NITROSOUREA(1)","759-73-9(1)","2670","High Reliability"]
[2165,"CNC(C)=O\n\n\n","CNC(=O)C","O=C(NC)C","",1,"N-METHYLACETAMIDE(1)","79-16-3(1)","468","High Reliability"]
[2166,"CN(C)C=O\n\n\n","O=CN(C)C","O=CN(C)C","",1,"N,N'-DIMETHYLFORMAMIDE(1)","68-12-2(1)","259","Medium Reliability"]
[2167,"CC(N)C(O)=O\n\n\n","CC(C(=O)O)N","O=C(O)C(N)C","",3,"ALANINE(2), D-Alanine(1)","56-41-7(1), 302-72-7(1), 338-69-2(1)","96, 1710, 1743","High Reliability","Stereochemistry removed"]
[2168,"CC(O)C(N)=O\n\n\n","CC(C(=O)N)O","O=C(N)C(O)C","",1,"Propanamide, 2-hydroxy-(1)","2043-43-8(1)","3073","High Reliability","Checked on PubChem, Checked on ChemID"]
[2169,"CCC[N+]([O-])=O\n\n\n","[O-][N+](=O)CCC","O=[N+]([O-])CCC","",1,"1-NITROPROPANE(1)","108-03-2(1)","1065","High Reliability"]
[2170,"CCOC(N)=O\nCCOC(N)=O.CCOC(N)=O\n\n","CCOC(=O)N","O=C(OCC)N","",1,"O-ETHYL CARBAMATE (URETHANE)(1)","51-79-6(1)","54","Medium Reliability"]
[2171,"CC(C)[N+]([O-])=O\n\n\n","CC([N+](=O)[O-])C","O=[N+]([O-])C(C)C","",1,"2-NITROPROPANE(1)","79-46-9(1)","479","High Reliability"]
[2172,"CNCC(O)=O\n\n\n","CNCC(=O)O","O=C(O)CNC","",1,"N-METHYL GLYCINE(1)","107-97-1(1)","1062","Medium Reliability"]
[2173,"NCCC(O)=O\n\n\n","NCCC(=O)O","O=C(O)CCN","",1,"BETA-ALANINE(1)","107-95-9(1)","1061","High Reliability"]
[2174,"NC(CS)C(O)=O\n\n\n","NC(C(=O)O)CS","O=C(O)C(N)CS","",1,"CYSTEINE(1)","52-90-4(1)","67","High Reliability","Stereochemistry removed"]
[2175,"CCCO[N+]([O-])=O\n\n\n","[O-][N+](=O)OCCC","O=[N+]([O-])OCCC","",1,"1-PROPYLNITRATE(1)","627-13-4(1)","2540","High Reliability"]
[2176,"CC(C)O[N+]([O-])=O\n\n\n","CC(O[N+](=O)[O-])C","O=[N+]([O-])OC(C)C","",1,"ISOPROPYL NITRATE(1)","1712-64-7(1)","2970","High Reliability"]
[2177,"NCC(O)C(O)=O\n\n\n","NCC(C(=O)O)O","O=C(O)C(O)CN","",1,"Propanoic acid, 3-amino-2-hydroxy-(1)","565-71-9(1)","2194","High Reliability","Checked on PubChem, Checked on ChemID"]
[2178,"NC(CO)C(O)=O\n\n\n","OCC(C(=O)O)N","O=C(O)C(N)CO","",4,"SERINE(1), DL-Serine(1), D-Serine(1), Serine(1)","56-45-1(1), 302-84-1(1), 312-84-5(1), 6898-95-9(1)","97, 1711, 1719, 3791","High Reliability","Stereochemistry removed"]
[2179,"OC(=O)CCP(O)(O)=O\n\n\n","OC(=O)CCP(=O)(O)O","O=C(O)CCP(=O)(O)O","",1,"Propanoic acid, 3-phosphono-(1)","5962-42-5(1)","3685","High Reliability"]
[2180,"CCC\n\n\n","CCC","CCC","",1,"PROPANE(1)","74-98-6(1)","320","High Reliability"]
[2181,"CCN(C)N=O\n\n\n","CN(N=O)CC","O=NN(C)CC","",1,"N-METHYL-N-NITROSOETHAMINE(1)","10595-95-6(1)","3929","Medium Reliability"]
[2182,"CNS#CNCO\n\n\n","CNS#CNCO","OCNC#SNC","",1,"Noxythiolin(1)","15599-39-0(1)","4074","Medium Reliability"]
[2183,"NC(=O)NCNC(N)=O\n\n\n","NC(=O)NCNC(=O)N","O=C(N)NCNC(=O)N","",1,"Urea, N,N''-methylenebis-(1)","13547-17-6(1)","3988","High Reliability"]
[2184,"NNC(=O)CC(=O)NN\n\n\n","NNC(=O)CC(=O)NN","O=C(NN)CC(=O)NN","",1,"Propanedioic acid, dihydrazide(1)","3815-86-9(1)","3437","High Reliability"]
[2185,"[NH4+].CCOP([O-])(=O)C(N)=O\n\n\n","CCOP(=O)(C(=O)N)O","O=C(N)P(=O)(O)OCC","",1,"FOSAMINE AMMONIUM SALT(1)","25954-13-6(1)","4411","High Reliability"]
[2186,"CC(C)N.OC(=O)CNCP(O)(O)=O\nOC(=O)CNCP(O)(O)=O\n\n","OC(=O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O","",2,"Glyphosate isopropylamine salt(1), GLYPHOSPHATE(1)","38641-94-0(1), 1071-83-6(1)","4692, 2811","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID"]
[2187,"CCCO\n\n\n","CCCO","OCCC","",1,"1-PROPANOL(1)","71-23-8(1)","282","High Reliability"]
[2188,"CC(C)O\n\n\n","CC(O)C","OC(C)C","",1,"ISOPROPANOL(1)","67-63-0(1)","251","High Reliability"]
[2189,"CCOC\n\n\n","COCC","O(C)CC","",1,"ETHYL METHYL ETHER(1)","540-67-0(1)","2071","High Reliability"]
[2190,"CC(O)CO\n\n\n","OCC(O)C","OCC(O)C","",1,"1,2-PROPANEDIOL(1)","57-55-6(1)","131","High Reliability"]
[2191,"COCOC\n\n\n","COCOC","O(C)COC","",1,"DIMETHOXYMETHANE(1)","109-87-5(1)","1151","High Reliability"]
[2192,"COCCO\n\n\n","COCCO","OCCOC","",1,"2-METHOXYETHANOL(1)","109-86-4(1)","1150","High Reliability"]
[2193,"OCC(O)CO\n\n\n","OCC(CO)O","OCC(O)CO","",1,"GLYCEROL(1)","56-81-5(1)","107","High Reliability"]
[2194,"OCC(S)CS\n\n\n","OCC(CS)S","OCC(CS)S","",1,"1-Propanol, 2,3-dimercapto-(1)","59-52-9(1)","172","High Reliability"]
[2195,"CCCS\n\n\n","CCCS","CCCS","",1,"1-PROPANETHIOL(1)","107-03-9(1)","1024","High Reliability"]
[2196,"CCCN\n\n\n","CCCN","NCCC","",1,"PROPYLAMINE(1)","107-10-8(1)","1030","High Reliability"]
[2197,"CC(C)N\n\n\n","CC(N)C","NC(C)C","",1,"ISOPROPYLAMINE(1)","75-31-0(1)","343","High Reliability"]
[2198,"CN(C)C\n\n\n","CN(C)C","N(C)(C)C","",1,"TRIMETHYLAMINE(1)","75-50-3(1)","352","High Reliability"]
[2199,"CN(C)C(N)=N\n\n\n","CN(C(=N)N)C","N=C(N)N(C)C","",1,"DIMETHYLGUANIDINE(1)","3324-71-8(1)","3368","High Reliability"]
[2200,"CC(O)CN\n\n\n","CC(CN)O","OC(C)CN","",1,"1-AMINO-2-PROPANOL(1)","78-96-6(1)","458","High Reliability"]
[2201,"CNCCO\n\n\n","CNCCO","OCCNC","",1,"2-(METHYLAMINO)ETHANOL(1)","109-83-1(1)","1148","High Reliability"]
[2202,"COP(C)(=O)OC\n\n\n","COP(=O)(OC)C","O=P(OC)(OC)C","",1,"Phosphonic acid, methyl-, dimethyl ester(1)","756-79-6(1)","2668","High Reliability"]
[2203,"COP(=O)(OC)OC\n\n\n","COP(=O)(OC)OC","O=P(OC)(OC)OC","",1,"TRIMETHYL PHOSPHATE(1)","512-56-1(1)","1952","High Reliability"]
[2204,"OCC(O)COP(O)(O)=O\n\n\n","OCC(COP(=O)(O)O)O","O=P(O)(O)OCC(O)CO","",1,"Glycerophosphoric Acid(1)","57-03-4(1)","115","High Reliability","Stereochemistry removed"]
[2205,"OC(=O)C(Br)=C(Cl)Br\n\n\n","ClC(=C(C(=O)O)Br)Br","O=C(O)C(=C(Cl)Br)Br","",1,"Acrylic acid, 2,3-dibromo-3-chloro-(1)","88917-04-8(1)","5331","Medium Reliability"]
[2206,"OC(=O)C(Cl)=C(Br)Br\n\n\n","BrC(=C(C(=O)O)Cl)Br","O=C(O)C(=C(Br)Br)Cl","",1,"Acrylic acid, 3,3-dibromo-2-chloro-(1)","88917-05-9(1)","5332","Medium Reliability"]
[2207,"OC(=O)C(Br)=C(Br)I\n\n\n","BrC(=C(C(=O)O)Br)I","O=C(O)C(=C(Br)I)Br","",1,"2-Propenoic acid, 2,3-dibromo-3-iodo-(1)","71815-47-9(1)","5170","Medium Reliability"]
[2208,"OC(=O)C(Br)=C(Br)Br\n\n\n","BrC(=C(C(=O)O)Br)Br","O=C(O)C(=C(Br)Br)Br","",1,"2-Propenoic acid, 2,3,3-tribromo-(1)","71815-46-8(1)","5169","Medium Reliability"]
[2209,"OC(=O)C(I)=C(Br)I\n\n\n","BrC(=C(C(=O)O)I)I","O=C(O)C(=C(Br)I)I","",1,"2-Propenoic acid, 3-bromo-2,3-diiodo-(1)","83442-56-2(1)","5289","Medium Reliability"]
[2210,"OC(=O)C(Cl)=C(Cl)Cl\n[O-]C(=O)C(Cl)=C(Cl)Cl\n\n","ClC(=C(C(=O)O)Cl)Cl","O=C(O)C(=C(Cl)Cl)Cl","",1,"2,3,3-TRICHLORO-2-PROPENOIC ACID(1)","2257-35-4(1)","3148","High Reliability"]
[2211,"CC1OC(CC(O)C1O)OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC7(C)C(CCC67O)C8=CC(=O)OC8)C4)OC3C)OC2C\n\n\n","O=C1OCC(=C1)C1CCC2(C1(C)CCC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O","O=C1OCC(=C1)C6CCC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(O)C(O)C2)C(O)C3)C(O)C4)CCC5(C)C8(CCC67(C)))","",1,"DIGITOXIN(1)","71-63-6(1)","288","High Reliability","Stereochemistry removed"]
[2212,"CC1OC(CC(O)C1O)OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C7(C)C(CCC67O)C8=CC(=O)OC8)C4)OC3C)OC2C\n\n\n","O=C1OCC(=C1)C1CCC2(C1(C)C(O)CC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O","O=C1OCC(=C1)C6CCC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(O)C(O)C2)C(O)C3)C(O)C4)CCC5(C)C8(CC(O)C67(C)))","",1,"DIGOXIN(1)","20830-75-5(1)","4280","High Reliability","Stereochemistry removed"]
[2213,"COC1C=COC2(C)Oc3c(C2=O)c4c(c(O)c3C)c(O)c(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(C=NN5CCN(C)CC5)c4O\n\n\n","COC1C=COC2(C)Oc3c(C2=O)c2c(O)c(C=NN4CCN(CC4)C)c(c(c2c(c3C)O)O)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C","O=C(OC3C(C)C(OC)C=COC1(Oc4c(C1(=O))c5c(O)c(C=NN2CCN(C)CC2)c(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C3(C))C)c(O)c5(c(O)c4C))C)C","",1,"Rifampin(1)","13292-46-1(1)","3967","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2214,"ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl\n\n\n","ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl","C(C(=C(Cl)Cl)Cl)(=C(Cl)Cl)Cl","",1,"HEXACHLOROBUTADIENE(1)","87-68-3(1)","596","High Reliability"]
[2215,"FC1(F)C(F)(F)C(F)(F)C1(F)F\n\n\n","FC1(F)C(F)(F)C(C1(F)F)(F)F","FC1(F)(C(F)(F)C(F)(F)C1(F)(F))","",1,"PERFLUOROCYCLOBUTANE(1)","115-25-3(1)","1277","High Reliability"]
[2216,"CCCC\n\n\n","CCCC","CCCC","",1,"N-BUTANE(1)","106-97-8(1)","1019","High Reliability"]
[2217,"CC(C)C\n\n\n","CC(C)C","CC(C)C","",1,"2-METHYLPROPANE(1)","75-28-5(1)","340","High Reliability"]
[2218,"CC(C)OP(C)(F)=O\n\n\n","CC(OP(=O)(F)C)C","O=P(F)(OC(C)C)C","",1,"SARIN(1)","107-44-8(1)","1046","High Reliability"]
[2219,"C1CNCCN1\nCl.Cl.C1CNCCN1\nCl.C1CNCCN1\n[H+].[H+].[Cl-].[Cl-].C1CNCCN1","N1CCNCC1","N1CCNCC1","",2,"PIPERAZINE(1), Piperazine hydrochloride(1)","110-85-0(1), 142-64-3(1)","1194, 1585","High Reliability","Differences in counterions"]
[2220,"CCN(CC)N=O\n\n\n","CCN(N=O)CC","O=NN(CC)CC","",1,"N-NITROSODIETHYLAMINE(1)","55-18-5(1)","80","Medium Reliability"]
[2221,"OCCN(CCO)N=O\n\n\n","OCCN(N=O)CCO","O=NN(CCO)CCO","",1,"N-NITROSODIETHANOLAMINE(1)","1116-54-7(1)","2830","High Reliability"]
[2222,"CC(NC(O)=N)NC(O)=N\n\n\n","CC(NC(=N)O)NC(=N)O","N=C(O)NC(NC(=N)O)C","",1,"Urea, N,N''-ethylidenebis-(1)","1589-36-2(1)","2936","Medium Reliability"]
[2223,"COP(=O)(NC(C)=O)SC\n\n\n","COP(=O)(NC(=O)C)SC","O=C(NP(=O)(OC)SC)C","",1,"ACEPHATE(1)","30560-19-1(1)","4509","High Reliability"]
[2224,"CCCCO\n\n\n","CCCCO","OCCCC","",1,"1-BUTANOL(1)","71-36-3(1)","284","High Reliability"]
[2225,"CCC(C)O\n\n\n","CCC(O)C","OC(C)CC","",2,"2-BUTANOL(1), 2-Butanol, (.+-.)-(1)","78-92-2(1), 15892-23-6(1)","455, 4082","High Reliability"]
[2226,"CCCOC\n\n\n","CCCOC","O(C)CCC","",1,"METHYL PROPYL ETHER(1)","557-17-5(1)","2163","High Reliability"]
[2227,"CCOCC\n\n\n","CCOCC","O(CC)CC","",1,"DIETHYL ETHER(1)","60-29-7(1)","186","High Reliability"]
[2228,"CC(C)CO\n\n\n","OCC(C)C","OCC(C)C","",1,"ISOBUTYL ALCOHOL(1)","78-83-1(1)","449","High Reliability"]
[2229,"COC(C)C\n\n\n","COC(C)C","O(C)C(C)C","",1,"METHYL ISOPROPYL ETHER(1)","598-53-8(1)","2348","High Reliability"]
[2230,"CC(C)(C)O\n\n\n","CC(O)(C)C","OC(C)(C)C","",1,"T-BUTANOL(1)","75-65-0(1)","359","High Reliability"]
[2231,"CCC(O)CO\n\n\n","CCC(CO)O","OCC(O)CC","",1,"1,2-BUTANEDIOL(1)","584-03-2(1)","2244","High Reliability"]
[2232,"CCOCCO\n\n\n","OCCOCC","OCCOCC","",1,"2-Ethoxyethanol(1)","110-80-5(1)","1190","High Reliability"]
[2233,"CC(O)C(C)O\n\n\n","CC(C(O)C)O","OC(C)C(O)C","",2,"2,3-BUTANEDIOL(1), 2,3-BUTANEDIOL (MESO)(1)","513-85-9(1), 5341-95-7(1)","1963, 3590","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2234,"COCC(C)O\n\n\n","COCC(O)C","OC(C)COC","",1,"1-METHOXY-2-PROPANOL(1)","107-98-2(1)","1063","High Reliability"]
[2235,"COC(C)OC\n\n\n","COC(OC)C","O(C)C(OC)C","",1,"1,1-DIMETHOXYETHANE(1)","534-15-6(1)","2030","High Reliability"]
[2236,"CC(O)CCO\n\n\n","OCCC(O)C","OCCC(O)C","",1,"1,3-BUTANEDIOL(1)","107-88-0(1)","1056","High Reliability"]
[2237,"COCCOC\n\n\n","COCCOC","O(C)CCOC","",1,"ETHYLENE GLYCOL DIMETHYL ETHER(1)","110-71-4(1)","1187","High Reliability"]
[2238,"OCCCCO\n\n\n","OCCCCO","OCCCCO","",1,"1,4-BUTANEDIOL(1)","110-63-4(1)","1183","High Reliability"]
[2239,"CCS(=O)(=O)CC\n\n\n","CCS(=O)(=O)CC","O=S(=O)(CC)CC","",1,"DIETHYL SULFONE(1)","597-35-3(1)","2337","High Reliability","Checked on PubChem, Checked on ChemID"]
[2240,"OCCSCCO\n\n\n","OCCSCCO","OCCSCCO","",1,"2,2'-THIOBISETHANOL(1)","111-48-8(1)","1221","High Reliability"]
[2241,"CCSS(=O)(=O)CC\n\n\n","CCSS(=O)(=O)CC","O=S(=O)(CC)SCC","",1,"Ethanesulfonothioic acid, S-ethyl ester(1)","682-91-7(1)","2626","High Reliability"]
[2242,"OCCOCCO\n\n\n","OCCOCCO","OCCOCCO","",1,"DIETHYLENE GLYCOL(1)","111-46-6(1)","1220","High Reliability"]
[2243,"OCC(O)C(O)CO\n\n\n","OCC(C(CO)O)O","OCC(O)C(O)CO","",1,"ERYTHRITOL(1)","149-32-6(1)","1620","High Reliability","Stereochemistry removed"]
[2244,"CCOS(=O)(=O)OCC\n\n\n","CCOS(=O)(=O)OCC","O=S(=O)(OCC)OCC","",1,"DIETHYL SULFATE(1)","64-67-5(1)","230","High Reliability"]
[2245,"CC(S(C)(=O)=O)S(C)(=O)=O\n\n\n","CC(S(=O)(=O)C)S(=O)(=O)C","O=S(=O)(C)C(C)S(=O)(=O)C","",1,"Ethane, 1,1-bis(methylsulfonyl)-(1)","38564-69-1(1)","4687","High Reliability"]
[2246,"CCSS(=O)CC\n\n\n","CCSS(=O)CC","O=S(CC)SCC","",1,"Ethanesulfinothioic acid, S-ethyl ester(1)","18542-39-7(1)","4200","High Reliability"]
[2247,"CCCCS\n\n\n","CCCCS","CCCCS","",1,"BUTANETHIOL(1)","109-79-5(1)","1147","High Reliability"]
[2248,"CCC(C)S\n\n\n","CCC(S)C","CCC(C)S","",1,"2-BUTANETHIOL(1)","513-53-1(1)","1961","High Reliability"]
[2249,"CCSCC\n\n\n","CCSCC","CCSCC","",1,"DIETHYLSULFIDE(1)","352-93-2(1)","1749","High Reliability"]
[2250,"CCSSCC\n\n\n","CCSSCC","CCSSCC","",1,"DIETHYL DISULFIDE(1)","110-81-6(1)","1191","High Reliability"]
[2251,"CCCCN\n\n\n","CCCCN","NCCCC","",1,"N-BUTYLAMINE(1)","109-73-9(1)","1143","High Reliability"]
[2252,"CCC(C)N\n\n\n","CCC(N)C","NC(C)CC","",1,"SEC-BUTYLAMINE(1)","13952-84-6(1)","4001","High Reliability"]
[2253,"CCNCC\n\n\n","CCNCC","N(CC)CC","",1,"DIETHYLAMINE(1)","109-89-7(1)","1152","High Reliability"]
[2254,"CC(C)CN\n\n\n","NCC(C)C","NCC(C)C","",1,"ISOBUTYLAMINE(1)","78-81-9(1)","448","High Reliability"]
[2255,"CC(C)(C)N\n\n\n","CC(N)(C)C","NC(C)(C)C","",1,"T-BUTYLAMINE(1)","75-64-9(1)","358","High Reliability"]
[2256,"CCC(N)CO\n\n\n","CCC(CO)N","OCC(N)CC","",1,"2-Amino-1-butanol(1)","96-20-8(1)","769","High Reliability"]
[2257,"CCC(O)CN\n\n\n","CCC(CN)O","OC(CN)CC","",1,"1-Amino-2-butanol(1)","13552-21-1(1)","3989","High Reliability"]
[2258,"CC(C)(N)CO\n\n\n","OCC(N)(C)C","OCC(N)(C)C","",1,"2-AMINO-2-METHYL-1-PROPANOL(1)","124-68-5(1)","1450","High Reliability"]
[2259,"CN(C)CCO\n\n\n","OCCN(C)C","OCCN(C)C","",1,"2-DIMETHYLAMINOETHANOL(1)","108-01-0(1)","1064","High Reliability"]
[2260,"CC(N)(CO)CO\nCC(C)(N)C(O)O\n\n","OCC(CO)(N)C","OCC(N)(C)CO","",1,"2-amino-2-methylpropanediol(1)","115-69-5(1)","1285","High Reliability","Name verified in PubChem"]
[2261,"OCCNCCO\n\n\n","OCCNCCO","OCCNCCO","",1,"DIETHANOLAMINE(1)","111-42-2(1)","1217","High Reliability"]
[2262,"NC(CO)(CO)CO\n\n\n","OCC(CO)(CO)N","OCC(N)(CO)CO","",1,"AMINOTRIS(HYDROXYMETHYL)METHANE(1)","77-86-1(1)","425","High Reliability"]
[2263,"CCS(=O)(=O)NS(=O)(=O)CC\n\n\n","CCS(=O)(=O)NS(=O)(=O)CC","O=S(=O)(NS(=O)(=O)CC)CC","",1,"Ethanesulfonamide, N-(ethylsulfonyl)-(1)","71954-28-4(1)","5171","Medium Reliability"]
[2264,"OC(=O)CN(CP(O)(O)=O)CP(O)(O)=O\n\n\n","OC(=O)CN(CP(=O)(O)O)CP(=O)(O)O","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O","",1,"GLYPHOSINE(1)","2439-99-8(1)","3211","High Reliability"]
[2265,"CCOP(=O)(OC)OC\n\n\n","CCOP(=O)(OC)OC","O=P(OC)(OC)OCC","",1,"Phosphoric acid, ethyl dimethyl ester(1)","10463-05-5(1)","3924","High Reliability"]
[2266,"CN(C)P(F)(=O)N(C)C\n\n\n","CN(P(=O)(N(C)C)F)C","O=P(F)(N(C)C)N(C)C","",1,"DIMEFOX(1)","115-26-4(1)","1278","High Reliability"]
[2267,"NCCNCCO\n\n\n","NCCNCCO","OCCNCCN","",1,"2-(2-AMINOETHYLAMINO)ETHANOL(1)","111-41-1(1)","1216","High Reliability"]
[2268,"[Cl-].OC[P+](CO)(CO)CO\n\n\n","OC[P+](CO)(CO)CO","OC[P+](CO)(CO)CO","",1,"TETRAKIS(HYDROXYMETHYL)PHOSPHONIUM CHLORIDE(1)","124-64-1(1)","1449","High Reliability"]
[2269,"COP(=S)(OC)SSP(=S)(OC)OC\n\n\n","COP(=S)(SSP(=S)(OC)OC)OC","O(C)P(OC)(=S)SSP(OC)(OC)=S","",1,"thioperoxydiphosphoricacid,tetramethylester(1)","5930-71-2(1)","3678","High Reliability","Name verified in PubChem"]
[2270,"NCCNCCN\n\n\n","NCCNCCN","NCCNCCN","",1,"DIETHYLENETRIAMINE(1)","111-40-0(1)","1215","High Reliability"]
[2271,"C#CC#C\n\n\n","C#CC#C","C#CC#C","",1,"DIACETYLENE(1)","460-12-8(1)","1801","High Reliability"]
[2272,"Oc1c(Br)cncn1\nBrc1c[nH]cnc1=O\nBrc1cnc[nH]c1=O\n","Brc1cncnc1O","Oc1ncncc1Br","",1,"4(1H)-Pyrimidinone, 5-bromo-(1)","19808-30-1(1)","4240","High Reliability"]
[2273,"Brc1c[nH]c(=O)[nH]c1=O\n\n\n","Brc1c[nH]c(=O)[nH]c1=O","O=C1NC=C(C(=O)N1)Br","",1,"5-BROMOURACIL(1)","51-20-7(1)","40","High Reliability"]
[2274,"Fc1c[nH]c(=O)[nH]c1=O\n\n\n","Fc1c[nH]c(=O)[nH]c1=O","O=C1NC=C(F)C(=O)N1","",1,"5-FLUOROURACIL(1)","51-21-8(1)","41","High Reliability"]
[2275,"[O-][N+](=O)C1C(=O)NC(=O)NC1=O\n\n\n","O=C1NC(=O)C(C(=O)N1)[N+](=O)[O-]","O=C1NC(=O)C(C(=O)N1)[N+](=O)[O-]","",1,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro-(1)","480-68-2(1)","1850","High Reliability"]
[2276,"[nH]1nc2cncnc2n1\n[nH]1nnc2ncncc12\n\n","n1cnc2c(c1)n[nH]n2","n1cnc2n[nH]nc2(c1)","",1,"1H-1,2,3-Triazolo[4,5-d]pyrimidine(1)","273-40-5(1)","1674","Medium Reliability"]
[2277,"OC(=O)c1nocc1\n\n\n","OC(=O)c1ccon1","O=C(O)c1nocc1","",1,"3-Isoxazolecarboxylic acid(1)","3209-71-0(1)","3351","Medium Reliability"]
[2278,"C=CC#C\n\n\n","C=CC#C","C#CC=C","",1,"1-BUTEN-3-YNE(1)","689-97-4(1)","2633","High Reliability"]
[2279,"OC(=O)C(Br)C(Br)C(O)=O\n[O-]C(=O)C(Br)C(Br)C([O-])=O\n\n","BrC(C(C(=O)O)Br)C(=O)O","O=C(O)C(C(C(=O)O)Br)Br","",1,"Butanedioic acid, 2,3-dibromo-, (R*,S*)-(1)","608-36-6(1)","2392","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2280,"Cc1c([nH]c(Br)n1)N(=O)=O\nCc1nc(Br)[nH]c1[N+]([O-])=O\n\n","[O-][N+](=O)c1[nH]c(nc1C)Br","O=[N+]([O-])c1[nH]c(nc1C)Br","",1,"2-BROMO-4-METHYL-5-NITRO-1H-IMIDAZOLE(1)","105983-46-8(1)","5499","Medium Reliability"]
[2281,"BrN1C(=O)CCC1=O\n\n\n","BrN1C(=O)CCC1=O","O=C1N(C(=O)CC1)Br","",1,"2,5-Pyrrolidinedione, 1-bromo-(1)","128-08-5(1)","1483","High Reliability"]
[2282,"ClN1C(=O)CCC1=O\n\n\n","ClN1C(=O)CCC1=O","O=C1N(C(=O)CC1)Cl","",1,"1-CHLORO-2,5-PYRROLIDINEDIONE(1)","128-09-6(1)","1484","High Reliability"]
[2283,"Nc1nc(=O)[nH]cc1F\nNc1c(F)cnc(=O)[nH]1\n\n","Nc1nc(=O)[nH]cc1F","O=C1N=C(N)C(F)=CN1","",1,"FLUCYTOSINE(1)","2022-85-7(1)","3069","High Reliability"]
[2284,"c1ccnnc1\n\n\n","c1ccnnc1","n1ncccc1","",1,"PYRIDAZINE(1)","289-80-5(1)","1681","High Reliability"]
[2285,"c1cncnc1\n\n\n","c1ccncn1","n1cnccc1","",1,"PYRIMIDINE(1)","289-95-2(1)","1682","High Reliability"]
[2286,"N#CCCC#N\n\n\n","N#CCCC#N","N#CCCC#N","",1,"SUCCINONITRILE(1)","110-61-2(1)","1181","High Reliability"]
[2287,"O=c1cc[nH]cn1\nO=c1[nH]cncc1\nO=c1[nH]cncc1\n","O=c1cc[nH]cn1","O=C1N=CNC=C1","",2,"4-PYRIMIDONE(1), 4(3H)-Pyrimidone(1)","4562-27-0(1), 51953-17-4(1)","3509, 4826","High Reliability","Checked on PubChem, Checked on ChemID"]
[2288,"O=c1[nH]cccn1\n\n\n","O=c1nccc[nH]1","O=C1N=CC=CN1","",1,"2-PYRIMIDONE(1)","557-01-7(1)","2162","Medium Reliability"]
[2289,"O=c1[nH][nH]c(=O)cc1\nNNC(=O)C=CC(O)=O\n\n","O=c1ccc(=O)[nH][nH]1","O=C1C=CC(=O)NN1","",1,"maleichydrazide(1)","123-33-1(1)","1413","High Reliability","Stereochemistry removed, Name verified in PubChem"]
[2290,"O=c1[nH]ccc(=O)[nH]1\n\n\n","O=c1cc[nH]c(=O)[nH]1","O=C1C=CNC(=O)N1","",1,"URACIL(1)","66-22-8(1)","242","High Reliability"]
[2291,"Oc1cc(O)ncn1\nOc1cc(=O)[nH]cn1\n\n","Oc1ncnc(c1)O","Oc1ncnc(O)c1","",1,"4,6-Dihydroxypryimidine(1)","1193-24-4(1)","2866","Medium Reliability"]
[2292,"Cc1c(nns1)C(O)=O\n\n\n","Cc1snnc1C(=O)O","O=C(O)c1nnsc1C","",1,"1,2,3-Thiadiazole-4-carboxylic acid, 5-methyl-(1)","22097-10-5(1)","4309","Medium Reliability"]
[2293,"O=c1[nH]c(=S)[nH]cc1\n\n\n","O=c1cc[nH]c(=S)[nH]1","O=C1C=CNC(N1)=S","",1,"2-THIOURACIL(1)","141-90-2(1)","1574","High Reliability"]
[2294,"o1cccc1\n\n\n","c1ccco1","o1cccc1","",1,"FURAN(1)","110-00-9(1)","1158","High Reliability"]
[2295,"OC(=O)C=CC(O)=O\n\n\n","OC(=O)C=CC(=O)O","O=C(O)C=CC(=O)O","",2,"MALEIC ACID(1), FUMARIC ACID(1)","110-16-7(1), 110-17-8(1)","1164, 1165","High Reliability","Stereochemistry removed"]
[2296,"OC(=O)C(O)=C(O)C(O)=O\nOC(O)=C(O)C(=O)C(O)=O\n\n","OC(=C(C(=O)O)O)C(=O)O","O=C(O)C(O)=C(O)C(=O)O","",1,"2-Butenedioic acid, 2,3-dihydroxy-, (E)-(1)","133-38-0(1)","1514","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2297,"s1cccc1\n\n\n","c1cccs1","c1ccsc1","",1,"THIOPHENE(1)","110-02-1(1)","1159","High Reliability"]
[2298,"OC(=O)C=CCBr\n\n\n","BrCC=CC(=O)O","O=C(O)C=CCBr","",1,"4-bromo-trans-crotonic acid(1)","13991-36-1(1)","4003","High Reliability","Stereochemistry removed"]
[2299,"OC(=O)CC(Br)C(O)=O\n\n\n","OC(=O)CC(C(=O)O)Br","O=C(O)CC(C(=O)O)Br","",1,"Bromosuccinic acid(1)","923-06-8(1)","2742","High Reliability","Checked on PubChem, Checked on ChemID"]
[2300,"OC(CCl)=NC(=O)CCl\nClCC(=O)NC(=O)CCl\n\n","ClCC(=NC(=O)CCl)O","O=C(N=C(O)CCl)CCl","",1,"Acetamide, 2-chloro-N-(chloroacetyl)-(1)","4960-82-1(1)","3554","High Reliability"]
[2301,"OC(=O)C(Cl)(Cl)CCCl\n\n\n","ClCCC(C(=O)O)(Cl)Cl","O=C(O)C(CCCl)(Cl)Cl","",1,"Butanoic acid, 2,2,4-trichloro-(1)","101256-97-7(1)","5460","Medium Reliability"]
[2302,"CC=C(Cl)C(O)=O\n\n\n","CC=C(C(=O)O)Cl","O=C(O)C(=CC)Cl","",1,"2-Butenoic acid, 2-chloro-, (E)-(1)","22038-56-8(1)","4306","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[2303,"CC(Cl)=CC(O)=O\n\n\n","CC(=CC(=O)O)Cl","O=C(O)C=C(C)Cl","",2,"2-Butenoic acid, 3-chloro-, (Z)-(1), 3-Chlorocrotonic acid(1)","6213-90-7(1), 6214-28-4(1)","3714, 3715","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2304,"OC(=O)CC(Cl)C(O)=O\n\n\n","OC(=O)CC(C(=O)O)Cl","O=C(O)CC(C(=O)O)Cl","",3,"CHLOROSUCCINIC ACID(1), Butanedioic acid, chloro-, (R)-(1), Butanedioic acid, chloro-, (S)-(1)","16045-92-4(1), 3972-40-5(1), 4198-33-8(1)","4092, 3451, 3470","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2305,"FC(F)(F)COC=C\n\n\n","C=COCC(F)(F)F","FC(F)(F)COC=C","",1,"FLUROXENE(1)","406-90-6(1)","1774","High Reliability"]
[2306,"CC=CC#N\n\n\n","CC=CC#N","N#CC=CC","",1,"CROTONONITRILE(1)","4786-20-3(1)","3537","High Reliability","Stereochemistry removed"]
[2307,"[nH]1cccc1\n\n\n","c1ccc[nH]1","c1cc[nH]c1","",1,"PYRROLE(1)","109-97-7(1)","1156","High Reliability"]
[2308,"CC(=C)C#N\n\n\n","CC(=C)C#N","N#CC(=C)C","",1,"METHACRYLONITRILE(1)","126-98-7(1)","1467","High Reliability"]
[2309,"Nc1nc(=O)[nH]cc1\nNc1ccnc(=O)[nH]1\n\n","Nc1cc[nH]c(=O)n1","O=C1N=C(N)C=CN1","",1,"CYTOSINE(1)","71-30-7(1)","283","High Reliability"]
[2310,"NNC(=O)c1nccs1\n\n\n","NNC(=O)c1nccs1","O=C(NN)c1nccs1","",1,"2-Thiazolecarboxylic acid, hydrazide(1)","16733-90-7(1)","4113","Medium Reliability"]
[2311,"Cc1cc(=O)[nH]o1\nCc1onc(O)c1\n\n","Cc1cc(=O)[nH]o1","O=C1C=C(ON1)C","",1,"3-HYDROXY-5-METHYLISOXAZOLE(1)","10004-44-1(1)","3892","High Reliability"]
[2312,"O=C1CCC(=O)N1\n\n\n","O=C1CCC(=O)N1","O=C1NC(=O)CC1","",1,"SUCCINIMIDE(1)","123-56-8(1)","1420","High Reliability"]
[2313,"O=C1COCC(=O)N1\n\n\n","O=C1COCC(=O)N1","O=C1NC(=O)COC1","",1,"3,5-Morpholinedione(1)","4430-05-1(1)","3495","Medium Reliability"]
[2314,"Cc1csc(=O)[nH]1\n\n\n","Cc1csc(=O)[nH]1","O=C1NC(=CS1)C","",1,"2(3H)-Thiazolone, 4-methyl-(1)","32497-10-2(1)","4536","High Reliability"]
[2315,"CC(=O)CSC#N\n\n\n","CC(=O)CSC#N","N#CSCC(=O)C","",1,"Thiocyanic acid, 2-oxopropyl ester(1)","3029-48-9(1)","3315","Medium Reliability"]
[2316,"C=CCN=C=S\n\n\n","C=CCN=C=S","C(=NCC=C)=S","",1,"3-ISOTHIOCYANATO-1-PROPENE(1)","57-06-7(1)","116","High Reliability"]
[2317,"C=CC=C\nCCC#C\n\n","C=CC=C","C=CC=C","",2,"1,3-BUTADIENE(1), 1-BUTYNE(1)","106-99-0(1), 107-00-6(1)","1021, 1022","High Reliability"]
[2318,"CCC(Br)(Br)C(O)=O\n\n\n","CCC(C(=O)O)(Br)Br","O=C(O)C(CC)(Br)Br","",1,"Butanoic acid, 2,2-dibromo-(1)","93146-89-5(1)","5383","Medium Reliability"]
[2319,"ClCC(Cl)C=C\n\n\n","ClC(C=C)CCl","C=CC(CCl)Cl","",1,"3,4-DICHLORO-1-BUTENE(1)","760-23-6(1)","2672","High Reliability"]
[2320,"ClCC=CCCl\n\n\n","ClCC=CCCl","C(=CCCl)CCl","",3,"1,4-DICHLORO-2-BUTENE(TRANS)(1), 1,4-DICHLORO-2-BUTENE(1), 1,4-DICHLORO-2-BUTENE(CIS)(1)","110-57-6(1), 764-41-0(1), 1476-11-5(1)","1179, 2680, 2913","Medium Reliability, High Reliability","Stereochemistry removed"]
[2321,"CC(=O)NC(=O)CCl\n\n\n","CC(=O)NC(=O)CCl","O=C(NC(=O)CCl)C","",1,"Acetamide, N-acetyl-2-chloro-(1)","17368-73-9(1)","4154","High Reliability"]
[2322,"Cn1ccnc1\n\n\n","Cn1cncc1","n1ccn(c1)C","",1,"1H-IMIDAZOLE, 1-METHYL-(1)","616-47-7(1)","2447","High Reliability"]
[2323,"Cc1no[n+]([O-])c1C\n\n\n","[O-][n+]1onc(c1C)C","[O-][n+]1onc(c1C)C","",1,"FURAZAN, DIMETHYL-, 2-OXIDE(1)","2518-42-5(1)","3228","Medium Reliability"]
[2324,"O=C1CNC(=O)CN1\n\n\n","O=C1NCC(=O)NC1","O=C1NCC(=O)NC1","",1,"2,5-Piperazinedione(1)","106-57-0(1)","1006","High Reliability"]
[2325,"O=NN1CCCC1=O\n\n\n","O=NN1CCCC1=O","O=NN1C(=O)CCC1","",1,"2-Pyrrolidinone, 1-nitroso-(1)","54634-49-0(1)","4894","High Reliability"]
[2326,"Cc1c(nc[nH]1)S(O)(=O)=O\n\n\n","Cc1[nH]cnc1S(=O)(=O)O","O=S(=O)(O)c1nc[nH]c1C","",1,"1H-Imidazole-4-sulfonic acid, 5-methyl-(1)","6307-14-8(1)","3738","High Reliability"]
[2327,"Nc1c(O)c(O)nc(=N)[nH]1\nNC1N=C(N)NC(=O)C1=O\n\n","Oc1c(O)nc(=N)[nH]c1N","N=C1N=C(O)C(O)=C(N)N1","",1,"DIVICINE(1)","32267-39-3(1)","4530","High Reliability"]
[2328,"NC(=O)NC1NC(=O)NC1=O\n\n\n","NC(=O)NC1NC(=O)NC1=O","O=C(N)NC1NC(=O)NC1(=O)","",1,"ALLANTOIN(1)","97-59-6(1)","797","High Reliability"]
[2329,"CC(=O)Nc1nnc(s1)S(N)(=O)=O\n\n\n","CC(=O)Nc1nnc(s1)S(=O)(=O)N","O=C(Nc1nnc(s1)S(=O)(=O)N)C","",1,"ACETAZOLEAMIDE(1)","59-66-5(1)","174","Medium Reliability"]
[2330,"CC=CC=O\n\n\n","CC=CC=O","O=CC=CC","",2,"TRANS-CROTONALDEHYDE(1), CROTONALDEHYDE(1)","123-73-9(1), 4170-30-3(1)","1424, 3466","High Reliability","Stereochemistry removed"]
[2331,"C=COC=C\n\n\n","C=COC=C","O(C=C)C=C","",1,"DIVINYL ETHER(1)","109-93-3(1)","1154","High Reliability"]
[2332,"CC(=C)C=O\n\n\n","CC(=C)C=O","O=CC(=C)C","",1,"METHACROLEIN(1)","78-85-3(1)","451","High Reliability"]
[2333,"CC=CC(O)=O\nCC=CC(O)=O\nCC=CC(O)=O.CC=CC(O)=O\n","CC=CC(=O)O","O=C(O)C=CC","",3,"CROTONIC ACID(2), (Z)-2-BUTENOIC ACID (ISOCROTONIC ACID)(1)","107-93-7(1), 503-64-0(1), 3724-65-0(1)","1060, 1925, 3420","High Reliability","Differences in counterions, Stereochemistry removed"]
[2334,"CC(=C)C(O)=O\n\n\n","CC(=C)C(=O)O","O=C(O)C(=C)C","",1,"METHACRYLIC ACID(1)","79-41-4(1)","477","High Reliability"]
[2335,"CC(=O)C(C)=O\n\n\n","CC(=O)C(=O)C","O=C(C(=O)C)C","",1,"2,3-BUTANEDIONE(1)","431-03-8(1)","1777","High Reliability"]
[2336,"C1OC1C2CO2\nC1OC1C2CO2\nCCC12OC1O2\n","O1CC1C1OC1","O1CC1C2OC2","",3,"1,2:3,4-DIEPOXYBUTANE DL(1), 1,2:3,4-DIEPOXYBUTANE(1), diepoxybutane(1)","298-18-0(1), 564-00-1(1), 1464-53-5(1)","1692, 2183, 2911","High Reliability","Stereochemistry removed, Name verified in PubChem"]
[2337,"CC1CC(=O)O1\n\n\n","CC1CC(=O)O1","O=C1OC(C)C1","",1,"4-METHYL-2-OXETANONE(1)","3068-88-0(1)","3323","High Reliability"]
[2338,"COC(=O)C=C\n\n\n","COC(=O)C=C","O=C(OC)C=C","",1,"METHYL ACRYLATE(1)","96-33-3(1)","774","Medium Reliability"]
[2339,"CC(=O)OC=C\n\n\n","CC(=O)OC=C","O=C(OC=C)C","",1,"VINYL ACETATE(1)","108-05-4(1)","1066","High Reliability"]
[2340,"OCC#CCO\n\n\n","OCC#CCO","OCC#CCO","",1,"2-BUTYNE-1,4-DIOL(1)","110-65-6(1)","1184","High Reliability"]
[2341,"O=C1CCCO1\n\n\n","O=C1CCCO1","O=C1OCCC1","",1,"GAMMA-BUTYROLACTONE(1)","96-48-0(1)","779","High Reliability"]
[2342,"CC(=O)CC(O)=O\n\n\n","CC(=O)CC(=O)O","O=C(O)CC(=O)C","",1,"ACETOACETIC ACID(1)","541-50-4(1)","2083","High Reliability"]
[2343,"CC(=O)OC(C)=O\n\n\n","CC(=O)OC(=O)C","O=C(OC(=O)C)C","",1,"ACETIC ANHYDRIDE(1)","108-24-7(1)","1075","High Reliability"]
[2344,"CC1COC(=O)O1\n\n\n","CC1COC(=O)O1","O=C1OCC(O1)C","",1,"PROPYLENE CARBONATE(1)","108-32-7(1)","1077","High Reliability"]
[2345,"CC(C(O)=O)C(O)=O\n\n\n","CC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)C","",1,"METHYL MALONIC ACID(1)","516-05-2(1)","1972","Medium Reliability"]
[2346,"COC(=O)C(=O)OC\nCOC(=O)C([O-])=O\n\n","COC(=O)C(=O)OC","O=C(OC)C(=O)OC","",1,"methyloxalate(1)","553-90-2(1)","2138","High Reliability","Name verified in PubChem"]
[2347,"OC(=O)CCC(O)=O\n[Na+].[Na+].[O-]C(=O)CCC([O-])=O\n\n","OC(=O)CCC(=O)O","O=C(O)CCC(=O)O","",2,"BUTANEDIOC ACID(1), Sodium Succinate(1)","110-15-6(1), 150-90-3(1)","1163, 1629","Medium Reliability, High Reliability"]
[2348,"OC(=O)CC(S)C(O)=O\n\n\n","OC(=O)CC(C(=O)O)S","O=C(O)CC(C(=O)O)S","",1,"Butanedioic acid, mercapto-(1)","70-49-5(1)","276","High Reliability"]
[2349,"OC(=O)CSCC(O)=O\n\n\n","OC(=O)CSCC(=O)O","O=C(O)CSCC(=O)O","",1,"Acetic acid, 2,2'-thiobis-(1)","123-93-3(1)","1432","High Reliability"]
[2350,"OC(=O)CSSSSCC(O)=O\n\n\n","OC(=O)CSSSSCC(=O)O","O=C(O)CSSSSCC(=O)O","",1,"Acetic acid, 2,2'-tetrathiobis-(1)","16002-32-7(1)","4087","Medium Reliability"]
[2351,"OC(CC(O)=O)C(O)=O\n\n\n","OC(=O)CC(C(=O)O)O","O=C(O)CC(O)C(=O)O","",3,"Butanedioic acid, hydroxy-, (.+-.)-(1), L-malic acid(1), MALIC ACID(1)","617-48-1(1), 636-61-3(1), 6915-15-7(1)","2455, 2595, 3796","Medium Reliability, High Reliability","Stereochemistry removed"]
[2352,"OC(=O)COCC(O)=O\n\n\n","OC(=O)COCC(=O)O","O=C(O)COCC(=O)O","",1,"Acetic acid, 2,2'-oxybis-(1)","110-99-6(1)","1202","High Reliability"]
[2353,"OC(C(O)C(O)=O)C(O)=O\n[Na+].[K+].OC(C(O)C([O-])=O)C([O-])=O\n\n","OC(C(C(=O)O)O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","",6,"TARTARIC ACID(1), DL-TARTARIC ACID(1), D-TARTARIC ACID(1), meso-TARTARIC ACID(1), Potassium Sodium Tartrate(1), Butanedioic acid, 2,3-dihydroxy-(1)","87-69-4(1), 133-37-9(1), 147-71-7(1), 147-73-9(1), 304-59-6(1), 526-83-0(1)","597, 1513, 1609, 1610, 1713, 1993","High Reliability","Stereochemistry removed"]
[2354,"BrCCC=C\n\n\n","BrCCC=C","C=CCCBr","",1,"4-BROMO-1-BUTENE(1)","5162-44-7(1)","3573","High Reliability"]
[2355,"COP(=O)(OC)OC(Br)C(Cl)(Cl)Br\n\n\n","COP(=O)(OC(C(Br)(Cl)Cl)Br)OC","O=P(OC)(OC)OC(C(Cl)(Cl)Br)Br","",1,"NALED(1)","300-76-5(1)","1704","High Reliability"]
[2356,"CCC(Br)C(O)=O\n\n\n","CCC(C(=O)O)Br","O=C(O)C(CC)Br","",1,"a-bromobutyricacid(1)","80-58-0(1)","496","Medium Reliability","Name verified in PubChem"]
[2357,"CC(=O)OCCBr\nCC(O)=O.OCCBr\n\n","CC(=O)OCCBr","O=C(OCCBr)C","",1,"ethanol,2-bromo-,acetate(1)","927-68-4(1)","2750","High Reliability","Name verified in PubChem"]
[2358,"CC=CCCl\n\n\n","CC=CCCl","C(=CCCl)C","",1,"1-CHLORO-2-BUTENE(1)","591-97-9(1)","2311","High Reliability","Stereochemistry removed"]
[2359,"CC(C)=CCl\nCC(=C)CCl\n\n","ClC=C(C)C","C(=C(C)C)Cl","",2,"1-CHLORO-2-METHYLPROPENE(1), 3-CHLORO-2-METHYLPROPENE(1)","513-37-1(1), 563-47-3(1)","1958, 2179","High Reliability"]
[2360,"COP(=O)(OC)OC=C(Cl)Cl\n\n\n","COP(=O)(OC=C(Cl)Cl)OC","O=P(OC=C(Cl)Cl)(OC)OC","",1,"DICHLORVOS(1)","62-73-7(1)","213","Medium Reliability"]
[2361,"CC(C)(O)C(Cl)(Cl)Cl\n\n\n","CC(C(Cl)(Cl)Cl)(O)C","OC(C)(C)C(Cl)(Cl)Cl","",1,"B,B,B-TRICHLORO-T-BUTANOL(1)","57-15-8(1)","121","Medium Reliability"]
[2362,"CC(Cl)C(Cl)(Cl)C(O)O\n\n\n","OC(C(C(Cl)C)(Cl)Cl)O","OC(O)C(C(C)Cl)(Cl)Cl","",1,"2,2,3-TRICHLORO-1,1-BUTANEDIOL(1)","76-40-4(1)","398","High Reliability"]
[2363,"ClCCOC=C\n\n\n","ClCCOC=C","O(C=C)CCCl","",1,"2-CHLOROETHYL VINYL ETHER(1)","110-75-8(1)","1189","High Reliability"]
[2364,"CC1(CCl)CO1\n\n\n","CC1(CCl)CO1","O1CC1(C)CCl","",1,"OXIRANE, 2-(CHLOROMETHYL)-2-METHYL-(1)","598-09-4(1)","2345","High Reliability","Checked on PubChem, Checked on ChemID"]
[2365,"CCOC(=O)CCl\n\n\n","CCOC(=O)CCl","O=C(OCC)CCl","",1,"ETHYL CHLOROACETATE(1)","105-39-5(1)","969","High Reliability"]
[2366,"CCCC#N\n\n\n","CCCC#N","N#CCCC","",1,"BUTYRONITRILE(1)","109-74-0(1)","1144","High Reliability"]
[2367,"CN1CC(=O)NC1=N\nCN1CC(=O)N=C1N\n\n","O=C1NC(=N)N(C1)C","O=C1NC(=N)N(C)C1","",1,"CREATININE(1)","60-27-5(1)","185","High Reliability"]
[2368,"CCOc1nc(=N)s[nH]1\nCCOc1nsc(N)n1\n\n","CCOc1nc(=N)s[nH]1","N=C1N=C(OCC)NS1","",1,"1,2,4-Thiadiazole, 5-amino-3-ethoxy-(1)","98022-62-9(1)","5413","Medium Reliability"]
[2369,"CC(C)(O)C#N\n\n\n","N#CC(O)(C)C","N#CC(O)(C)C","",1,"ACETONE CYANOHYDRIN(1)","75-86-5(1)","371","High Reliability"]
[2370,"O=C1CCCN1\n\n\n","O=C1CCCN1","O=C1NCCC1","",1,"PYRROLIDONE(1)","616-45-5(1)","2446","High Reliability"]
[2371,"OCNC(=O)C=C\n\n\n","OCNC(=O)C=C","O=C(C=C)NCO","",1,"N-(Hydroxymethyl)acrylamide(1)","924-42-5(1)","2745","High Reliability"]
[2372,"CC(=O)NCC(O)=O\n\n\n","CC(=O)NCC(=O)O","O=C(O)CNC(=O)C","",1,"Glycine, N-acetyl-(1)","543-24-8(1)","2097","High Reliability"]
[2373,"NC(CC(O)=O)C(O)=O\n\n\n","OC(=O)CC(C(=O)O)N","O=C(O)CC(N)C(=O)O","",2,"ASPARTIC ACID(1), DL-Aspartic acid(1)","56-84-8(1), 617-45-8(1)","109, 2454","High Reliability","Stereochemistry removed"]
[2374,"NC(=O)CC(O)C(O)=O\n\n\n","NC(=O)CC(C(=O)O)O","O=C(O)C(O)CC(=O)N","",2,"Butanoic acid, 4-amino-2-hydroxy-4-oxo-, (S)-(1), Butanoic acid, 4-amino-2-hydroxy-4-oxo-(1)","57229-74-0(1), 66398-52-5(1)","4943, 5065","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2375,"OC(=O)CNCC(O)=O\n\n\n","OC(=O)CNCC(=O)O","O=C(O)CNCC(=O)O","",1,"Glycine, N-(carboxymethyl)-(1)","142-73-4(1)","1587","High Reliability"]
[2376,"CCOC(=O)CO[N+]([O-])=O\n\n\n","CCOC(=O)CO[N+](=O)[O-]","O=C(OCC)CO[N+](=O)[O-]","",1,"Acetic acid, (nitrooxy)-, ethyl ester(1)","999-17-7(1)","2787","Medium Reliability"]
[2377,"NC(C(O)C(O)=O)C(O)=O\n\n\n","OC(=O)C(C(C(=O)O)N)O","O=C(O)C(O)C(N)C(=O)O","",1,"3-hydroxy-aspartic acid(1)","1186-90-9(1)","2861","High Reliability","Stereochemistry removed"]
[2378,"NC(=O)C(O)C(O)C(O)=O\n\n\n","NC(=O)C(C(C(=O)O)O)O","O=C(O)C(O)C(O)C(=O)N","",1,"Butanoic acid, 4-amino-2,3-dihydroxy-4-oxo-(1)","634-64-0(1)","2585","Medium Reliability"]
[2379,"CCC=C\nCC=CC\n\n","CC=CC","C(=CC)C","",3,"1-BUTENE(1), CIS-2-BUTENE(1), TRANS-2-BUTENE(1)","106-98-9(1), 590-18-1(1), 624-64-6(1)","1020, 2284, 2508","High Reliability","Stereochemistry removed"]
[2380,"CC(C)=C\n\n\n","CC(=C)C","C=C(C)C","",1,"ISOBUTENE(1)","115-11-7(1)","1272","High Reliability"]
[2381,"BrCCCCBr\n\n\n","BrCCCCBr","C(CCBr)CBr","",1,"1,4-DIBROMOBUTANE(1)","110-52-1(1)","1175","High Reliability"]
[2382,"CCCC(Cl)Cl\n\n\n","CCCC(Cl)Cl","CCCC(Cl)Cl","",1,"1,1-DICHLOROBUTANE(1)","541-33-3(1)","2079","High Reliability"]
[2383,"CC(Cl)C(C)Cl\n\n\n","CC(C(Cl)C)Cl","CC(C(C)Cl)Cl","",1,"2,3-DICHLOROBUTANE(1)","7581-97-7(1)","3861","High Reliability"]
[2384,"ClCCCCCl\n\n\n","ClCCCCCl","C(CCCl)CCl","",1,"1,4-DICHLOROBUTANE(1)","110-56-5(1)","1178","High Reliability"]
[2385,"CC(O)(CCl)CCl\n\n\n","ClCC(CCl)(O)C","OC(C)(CCl)CCl","",1,"2-Propanol, 1,3-dichloro-2-methyl-(1)","597-32-0(1)","2336","Medium Reliability"]
[2386,"ClCCOCCCl\n\n\n","ClCCOCCCl","O(CCCl)CCCl","",1,"BIS(2-CHLOROETHYL) ETHER(1)","111-44-4(1)","1219","High Reliability"]
[2387,"ClCCS(=O)(=O)CCCl\n\n\n","ClCCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCCl","",1,"1,1'-SULFONYLBIS(2-CHLOROETHANE)(1)","471-03-4(1)","1826","Medium Reliability"]
[2388,"ClCCS(=O)CCCl\n\n\n","ClCCS(=O)CCCl","O=S(CCCl)CCCl","",1,"1,1'-SULFINYLBIS(2-CHLOROETHANE)(1)","5819-08-9(1)","3666","High Reliability"]
[2389,"ClCCSCCCl\n\n\n","ClCCSCCCl","C(CSCCCl)Cl","",1,"DI-2-CHLOROETHYL SULFIDE(1)","505-60-2(1)","1933","High Reliability"]
[2390,"ClCCN(Cl)CCCl\n\n\n","ClCCN(CCCl)Cl","N(CCCl)(CCCl)Cl","",1,"Ethanamine, N,2-dichloro-N-(2-chloroethyl)-(1)","63915-60-6(1)","5030","High Reliability"]
[2391,"COP(=O)(OC)C(O)C(Cl)(Cl)Cl\n\n\n","COP(=O)(C(C(Cl)(Cl)Cl)O)OC","O=P(OC)(OC)C(O)C(Cl)(Cl)Cl","",1,"TRICHLORFON(1)","52-68-6(1)","65","Medium Reliability"]
[2392,"O=NN1CCCC1\n\n\n","O=NN1CCCC1","O=NN1CCCC1","",1,"N-NITROSOPYRROLIDINE(1)","930-55-2(1)","2753","High Reliability"]
[2393,"CC(=NO)C(C)=NO\nCON=C(C)C=NO\nCC(NO)=C(C)N=O\n","ON=C(C(=NO)C)C","ON=C(C(=NO)C)C","",1,"dimethylglyoxime(1)","95-45-4(1)","742","Medium Reliability","Stereochemistry removed, Name verified in PubChem"]
[2394,"CNC(=O)C(=O)NC\n\n\n","CNC(=O)C(=O)NC","O=C(NC)C(=O)NC","",1,"N,N'-dimethyloxalamide(1)","615-35-0(1)","2433","High Reliability"]
[2395,"NC(=O)CCC(N)=O\n\n\n","NC(=O)CCC(=O)N","O=C(N)CCC(=O)N","",1,"SUCCINAMIDE(1)","110-14-5(1)","1162","High Reliability"]
[2396,"O=NN1CCOCC1\n\n\n","O=NN1CCOCC1","O=NN1CCOCC1","",1,"N-NITROSOMORPHOLINE(1)","59-89-2(1)","176","High Reliability"]
[2397,"CC(NC(N)=O)C(O)=O\nCC(NC(N)=O)C([O-])=O\n\n","NC(=O)NC(C(=O)O)C","O=C(N)NC(C(=O)O)C","",1,"L-Alanine, N-(aminocarbonyl)-(1)","18409-49-9(1)","4194","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[2398,"CCOC(=O)N(C)N=O\n\n\n","CN(C(=O)OCC)N=O","O=NN(C(=O)OCC)C","",1,"ETHYL N-METHYLNITROSOCARBAMATE(1)","615-53-2(1)","2436","High Reliability"]
[2399,"NC(CC(N)=O)C(O)=O\n\n\n","NC(=O)CC(C(=O)O)N","O=C(O)C(N)CC(=O)N","",2,"ASPARAGINE(1), Asparagine(1)","70-47-3(1), 7006-34-0(1)","275, 3809","High Reliability","Stereochemistry removed"]
[2400,"NC(=O)NCCC(O)=O\n\n\n","OC(=O)CCNC(=O)N","O=C(N)NCCC(=O)O","",1,".beta.-Alanine, N-(aminocarbonyl)-(1)","462-88-4(1)","1810","Medium Reliability"]
[2401,"[O-][N+](=O)N1CCOCC1\n\n\n","[O-][N+](=O)N1CCOCC1","O=[N+]([O-])N1CCOCC1","",1,"N-NITROMORPHOLINE(1)","4164-32-3(1)","3465","High Reliability"]
[2402,"NC(C(O)C(O)=O)C(O)=N\n\n\n","OC(=N)C(C(C(=O)O)O)N","O=C(O)C(O)C(N)C(=N)O","",1,"Succinamic acid, 3-amino-2-hydroxy-(1)","32503-98-3(1)","4537","Medium Reliability"]
[2403,"NC(=S)NCC=C\n\n\n","NC(=S)NCC=C","C=CCNC(N)=S","",1,"ALLYLTHIOUREA(1)","109-57-9(1)","1133","High Reliability"]
[2404,"[Na+].[Na+].[S-]C(=S)NCCNC([S-])=S\n\n\n","SC(=S)NCCNC(=S)S","N(C(=S)S)CCNC(=S)S","",1,"NABAM(1)","142-59-6(1)","1583","High Reliability"]
[2405,"CCCC=O\nCC=CCO\n\n","CC=CCO","OCC=CC","",3,"BUTYRALDEHYDE(1), 2-BUTEN-1-OL (CIS)(1), 2-Buten-1-ol(1)","123-72-8(1), 4088-60-2(1), 6117-91-5(1)","1423, 3459, 3702","High Reliability","Stereochemistry removed"]
[2406,"CCC1CO1\n\n\n","CCC1CO1","O1CC1CC","",1,"1,2-BUTYLENEOXIDE(1)","106-88-7(1)","1013","High Reliability"]
[2407,"C1CCOC1\n\n\n","C1CCCO1","O1CCCC1","",1,"TETRAHYDROFURAN(1)","109-99-9(1)","1157","High Reliability"]
[2408,"CCC(C)=O\n\n\n","CCC(=O)C","O=C(C)CC","",1,"2-BUTANONE(1)","78-93-3(1)","456","High Reliability"]
[2409,"CCOC=C\n\n\n","CCOC=C","O(C=C)CC","",1,"ETHYL VINYL ETHER(1)","109-92-2(1)","1153","High Reliability"]
[2410,"CC(C)C=O\nCC(=C)CO\n\n","O=CC(C)C","O=CC(C)C","",2,"ISOBUTYRALDEHYDE(1), Methallyl alcohol(1)","78-84-2(1), 513-42-8(1)","450, 1959","High Reliability"]
[2411,"CC1(C)CO1\n\n\n","CC1(C)OC1","O1CC1(C)C","",1,"2,2-DIMETHYLOXIRANE(1)","558-30-5(1)","2171","High Reliability"]
[2412,"COC(C)=C\n\n\n","COC(=C)C","O(C(=C)C)C","",1,"ISOPROPENYL METHYL ETHER(1)","116-11-0(1)","1297","High Reliability"]
[2413,"COC1CC1\n\n\n","COC1CC1","O(C)C1CC1","",1,"Cyclopropane, methoxy-(1)","540-47-6(1)","2066","High Reliability"]
[2414,"CCCC(O)=O\n\n\n","CCCC(=O)O","O=C(O)CCC","",1,"BUTYRIC ACID(1)","107-92-6(1)","1059","High Reliability"]
[2415,"CCCOC=O\n\n\n","CCCOC=O","O=COCCC","",1,"PROPYL FORMATE(1)","110-74-7(1)","1188","High Reliability"]
[2416,"C1COCCO1\n\n\n","O1CCOCC1","O1CCOCC1","",1,"1,4-DIOXANE(1)","123-91-1(1)","1430","High Reliability"]
[2417,"CC(C)C(O)=O\n\n\n","CC(C(=O)O)C","O=C(O)C(C)C","",1,"ISOBUTYRIC ACID(1)","79-31-2(1)","475","High Reliability"]
[2418,"CC(O)C(C)=O\n\n\n","CC(=O)C(O)C","O=C(C)C(O)C","",1,"ACETOIN(1)","513-86-0(1)","1964","High Reliability"]
[2419,"CCC(=O)OC\n\n\n","CCC(=O)OC","O=C(OC)CC","",1,"METHYL PROPIONATE(1)","554-12-1(1)","2141","High Reliability"]
[2420,"CCOC(C)=O\n\n\n","CCOC(=O)C","O=C(OCC)C","",1,"ETHYL ACETATE(1)","141-78-6(1)","1570","High Reliability"]
[2421,"CC(C)OC=O\n\n\n","O=COC(C)C","O=COC(C)C","",1,"ISOPROPYL FORMATE(1)","625-55-8(1)","2521","High Reliability"]
[2422,"CC(O)CC=O\n\n\n","CC(CC=O)O","O=CCC(O)C","",1,"Aldol(1)","107-89-1(1)","1057","Medium Reliability"]
[2423,"CC1OCCO1\n\n\n","CC1OCCO1","O1CCOC1C","",1,"1,3-Dioxolane, 2-methyl-(1)","497-26-7(1)","1895","High Reliability"]
[2424,"OC1CCOC1\n\n\n","OC1COCC1","OC1COCC1","",1,"3-Furanol, tetrahydro-(1)","453-20-3(1)","1795","High Reliability"]
[2425,"CC(=O)OCCS\n\n\n","CC(=O)OCCS","O=C(OCCS)C","",1,"Ethanol, 2-mercapto-, 1-acetate(1)","5862-40-8(1)","3674","High Reliability"]
[2426,"COC(=O)C(C)O\n\n\n","COC(=O)C(O)C","O=C(OC)C(O)C","",1,"2-HYDROXYPROPANOIC ACID, METHYL ESTER(1)","547-64-8(1)","2114","High Reliability"]
[2427,"C1CSCCS1\n\n\n","S1CCSCC1","C1CSCCS1","",1,"1,4-DITHIANE(1)","505-29-3(1)","1929","High Reliability"]
[2428,"CCCCBr\n\n\n","CCCCBr","CCCCBr","",1,"1-BROMOBUTANE(1)","109-65-9(1)","1137","High Reliability"]
[2429,"CC(C)CBr\n\n\n","BrCC(C)C","CC(C)CBr","",1,"ISOBUTYL BROMIDE(1)","78-77-3(1)","445","High Reliability"]
[2430,"CC(C)(C)Br\n\n\n","CC(Br)(C)C","CC(C)(C)Br","",1,"2-BROMO-2-METHYLPROPANE(1)","507-19-7(1)","1939","High Reliability"]
[2431,"CCCCCl\n\n\n","CCCCCl","CCCCCl","",1,"1-CHLOROBUTANE(1)","109-69-3(1)","1141","High Reliability"]
[2432,"CCC(C)Cl\n\n\n","CCC(Cl)C","CCC(C)Cl","",1,"2-CHLOROBUTANE(1)","78-86-4(1)","452","High Reliability"]
[2433,"CC(C)CCl\n\n\n","ClCC(C)C","CC(C)CCl","",1,"ISOBUTYL CHLORIDE(1)","513-36-0(1)","1957","High Reliability"]
[2434,"CC(C)(C)Cl\n\n\n","CC(Cl)(C)C","CC(C)(C)Cl","",1,"T-BUTYL CHLORIDE(1)","507-20-0(1)","1940","High Reliability"]
[2435,"CC(O)C(C)Cl\n\n\n","CC(C(O)C)Cl","OC(C)C(C)Cl","",1,"2-BUTANOL, 3-CHLORO-(1)","563-84-8(1)","2182","High Reliability"]
[2436,"CC(C)(O)CCl\n\n\n","ClCC(O)(C)C","OC(C)(C)CCl","",1,"2-Propanol, 1-chloro-2-methyl-(1)","558-42-9(1)","2172","High Reliability"]
[2437,"CCCCI\n\n\n","CCCCI","CCCCI","",2,"N-BUTYL IODIDE(1), IODOBUTANE(1)","542-69-8(1), 25267-27-0(1)","2092, 4386","High Reliability","Checked on PubChem, Checked on ChemID"]
[2438,"CCC(C)I\n\n\n","CCC(I)C","CCC(C)I","",1,"2-IODOBUTANE(1)","513-48-4(1)","1960","High Reliability"]
[2439,"C1CCNC1\n[H+].[Cl-].C1CCNC1\n\n","C1CCCN1","N1CCCC1","",1,"PYRROLIDINE(1)","123-75-1(1)","1425","High Reliability","Differences in counterions"]
[2440,"CC(C)=NNC(N)=O\n\n\n","NC(=O)NN=C(C)C","O=C(N)NN=C(C)C","",1,"ACETONE, SEMICARBAZONE(1)","110-20-3(1)","1167","Medium Reliability"]
[2441,"CC(NC(N)=N)C(O)=O\nCC(NC=NN)C(O)=O\nCC(N=C(N)N)C(O)=O\n","NC(=N)NC(C(=O)O)C","O=C(O)C(NC(=N)N)C","",1,"l-alanine,n-(aminoiminomethyl)-(1)","1758-74-3(1)","2982","High Reliability","Stereochemistry removed, Name verified in PubChem"]
[2442,"CN(CC(O)=O)C(N)=N\n\n\n","OC(=O)CN(C(=N)N)C","O=C(O)CN(C(=N)N)C","",1,"CREATINE(1)","57-00-1(1)","114","High Reliability"]
[2443,"CCCC(N)=O\n\n\n","CCCC(=O)N","O=C(N)CCC","",1,"BUTYRAMIDE(1)","541-35-5(1)","2080","High Reliability"]
[2444,"CCC(C)=NO\n\n\n","CC(=NO)CC","ON=C(C)CC","",1,"2-BUTANONE OXIME(1)","96-29-7(1)","773","High Reliability","Stereochemistry removed"]
[2445,"C1COCCN1\n\n\n","C1CNCCO1","O1CCNCC1","",1,"MORPHOLINE(1)","110-91-8(1)","1198","High Reliability"]
[2446,"CN(C)C(C)=O\n\n\n","CC(=O)N(C)C","O=C(N(C)C)C","",1,"N,N'-DIMETHYLACETAMIDE(1)","127-19-5(1)","1471","Medium Reliability"]
[2447,"CCC(N)C(O)=O\n\n\n","CCC(C(=O)O)N","O=C(O)C(N)CC","",2,"ALPHA-AMINOBUTYRIC ACID(1), Butanoic acid, 2-amino-, (.+-.)-(1)","80-60-4(1), 2835-81-6(1)","497, 3293","Medium Reliability"]
[2448,"CCCC[N+]([O-])=O\n\n\n","CCCC[N+](=O)[O-]","O=[N+]([O-])CCCC","",1,"1-NITROBUTANE(1)","627-05-4(1)","2537","High Reliability"]
[2449,"CCCOC(N)=O\n\n\n","CCCOC(=O)N","O=C(OCCC)N","",1,"O-PROPYLCARBAMATE(1)","627-12-3(1)","2539","Medium Reliability"]
[2450,"CC(N)CC(O)=O\n\n\n","CC(CC(=O)O)N","O=C(O)CC(N)C","",1,"Butanoic acid, 3-amino-(1)","541-48-0(1)","2082","High Reliability"]
[2451,"CCOC(=O)NC\n\n\n","CCOC(=O)NC","O=C(OCC)NC","",1,"N-METHYLCARBAMIC ACID, ET ESTER(1)","105-40-8(1)","970","Medium Reliability"]
[2452,"CC(C)(N)C(O)=O\n\n\n","OC(=O)C(N)(C)C","O=C(O)C(N)(C)C","",1,"Alanine, 2-methyl-(1)","62-57-7(1)","211","High Reliability"]
[2453,"CC(=O)NCCO\n\n\n","CC(=O)NCCO","O=C(NCCO)C","",1,"Acetamide, N-(2-hydroxyethyl)-(1)","142-26-7(1)","1578","High Reliability"]
[2454,"CNCCC(O)=O\n\n\n","CNCCC(=O)O","O=C(O)CCNC","",1,".beta.-Alanine, N-methyl-(1)","2679-14-3(1)","3273","Medium Reliability"]
[2455,"NCCCC(O)=O\n\n\n","NCCCC(=O)O","O=C(O)CCCN","",1,"4-AMINOBUTYRIC ACID(1)","56-12-2(1)","89","High Reliability"]
[2456,"CC(N)C(O)C(O)=O\n\n\n","CC(C(C(=O)O)O)N","O=C(O)C(O)C(N)C","",1,"Butanoic acid, 3-amino-2-hydroxy-(1)","565-81-1(1)","2198","Medium Reliability"]
[2457,"CC(O)C(N)C(O)=O\n\n\n","CC(C(C(=O)O)N)O","O=C(O)C(N)C(O)C","",3,"DL-Threonine(1), DL-Allothreonine(1), threonine(l)(1)","80-68-2(1), 144-98-9(1), 72-19-5(1)","499, 1606, 292","High Reliability","Checked on PubChem, Stereochemistry removed, Name verified in PubChem"]
[2458,"CCCCO[N+]([O-])=O\n\n\n","[O-][N+](=O)OCCCC","O=[N+]([O-])OCCCC","",1,"BUTYL NITRATE(1)","928-45-0(1)","2751","High Reliability"]
[2459,"CCC(CO)[N+]([O-])=O\n\n\n","CCC([N+](=O)[O-])CO","O=[N+]([O-])C(CO)CC","",1,"2-NITRO-1-BUTANOL(1)","609-31-4(1)","2401","High Reliability"]
[2460,"CC(C)CO[N+]([O-])=O\n\n\n","CC(CO[N+](=O)[O-])C","O=[N+]([O-])OCC(C)C","",1,"ISOBUTYL NITRATE(1)","543-29-3(1)","2099","High Reliability"]
[2461,"CC(C)(CO)[N+]([O-])=O\n\n\n","OCC([N+](=O)[O-])(C)C","O=[N+]([O-])C(C)(C)CO","",1,"2-METHYL-2-NITRO-1-PROPANOL(1)","76-39-1(1)","397","High Reliability"]
[2462,"COCC(N)C(O)=O\n\n\n","COCC(C(=O)O)N","O=C(O)C(N)COC","",1,"DL-Serine, O-methyl-(1)","19794-53-7(1)","4239","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2463,"NC(CCO)C(O)=O\n\n\n","OCCC(C(=O)O)N","O=C(O)C(N)CCO","",2,"L-Homoserine(1), DL-Homoserine(1)","672-15-1(1), 1927-25-9(1)","2622, 3030","Medium Reliability, High Reliability","Stereochemistry removed"]
[2464,"CC(CO)(CO)[N+]([O-])=O\n\n\n","OCC([N+](=O)[O-])(CO)C","O=[N+]([O-])C(C)(CO)CO","",1,"2-METHYL-2-NITROPROPANE-1,3-DIOL(1)","77-49-6(1)","418","High Reliability"]
[2465,"OCC(CO)(CO)[N+]([O-])=O\n\n\n","OCC([N+](=O)[O-])(CO)CO","O=[N+]([O-])C(CO)(CO)CO","",1,"2-HYDROXYMETHYL-2-NITRO-1,3-PROPANEDIOL(1)","126-11-4(1)","1458","High Reliability"]
[2466,"OC(=O)CCCP(O)(O)=O\n[O-]C(=O)CCCP([O-])([O-])=O\n\n","OC(=O)CCCP(=O)(O)O","O=C(O)CCCP(=O)(O)O","",1,"Butanoic acid, 4-phosphono-(1)","4378-43-2(1)","3485","High Reliability"]
[2467,"ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl\n\n\n","ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl","C=1(C(=C(C(C=1Cl)(Cl)Cl)Cl)Cl)Cl","",1,"HEXACHLOROCYCLOPENTADIENE(1)","77-47-4(1)","417","High Reliability"]
[2468,"ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl\n\n\n","ClC1=C(Cl)C(C(C1(Cl)Cl)(Cl)Cl)(Cl)Cl","C1(=C(C(C(C1(Cl)Cl)(Cl)Cl)(Cl)Cl)Cl)Cl","",1,"OCTACHLOROCYCLOPENTENE(1)","706-78-5(1)","2650","High Reliability"]
[2469,"C1CCCC1\n\n\n","C1CCCC1","C1CCCC1","",1,"CYCLOPENTANE(1)","287-92-3(1)","1677","High Reliability"]
[2470,"CCCC=C\nCCC=CC\n\n","CCC=CC","C(=CCC)C","",4,"1-PENTENE(1), 2-PENTENE(1), CIS-2-PENTENE(1), TRANS-2-PENTENE(1)","109-67-1(1), 109-68-2(1), 627-20-3(1), 646-04-8(1)","1139, 1140, 2543, 2617","High Reliability","Stereochemistry removed"]
[2471,"CC=C(C)C\nCC(C)C=C\nCCC(C)=C\n","CC=C(C)C","C(=C(C)C)C","",3,"2-METHYL-2-BUTENE(1), 3-METHYL-1-BUTENE(1), 2-METHYL-1-BUTENE(1)","513-35-9(1), 563-45-1(1), 563-46-2(1)","1956, 2177, 2178","High Reliability"]
[2472,"OCC(CO)(CBr)CBr\n\n\n","OCC(CBr)(CBr)CO","OCC(CO)(CBr)CBr","",1,"1,3-PROPANEDIOL, 2,2-BIS(BRME)-(1)","3296-90-0(1)","3364","Medium Reliability"]
[2473,"ClCCOCOCCCl\n\n\n","ClCCOCOCCCl","O(COCCCl)CCCl","",1,"BIS(2-CHLOROETHOXY)METHANE(1)","111-91-1(1)","1238","High Reliability"]
[2474,"O=NN1CCCCC1\n\n\n","O=NN1CCCCC1","O=NN1CCCCC1","",1,"N-NITROSOPIPERIDINE(1)","100-75-4(1)","898","High Reliability"]
[2475,"CCCC(=O)N(C)N=O\n\n\n","CN(C(=O)CCC)N=O","O=NN(C(=O)CCC)C","",1,"Butanamide, N-methyl-N-nitroso-(1)","16395-81-6(1)","4102","Medium Reliability"]
[2476,"NC(=O)CCCC(N)=O\n\n\n","NC(=O)CCCC(=O)N","O=C(N)CCCC(=O)N","",1,"Pentanediamide(1)","3424-60-0(1)","3381","High Reliability"]
[2477,"CNC(=O)ON=C(C)SC\n\n\n","CNC(=O)ON=C(SC)C","O=C(ON=C(C)SC)NC","",1,"METHOMYL(1)","16752-77-5(1)","4114","Medium Reliability","Stereochemistry removed"]
[2478,"CC(C)(NC(N)=O)C(O)=O\n\n\n","NC(=O)NC(C(=O)O)(C)C","O=C(N)NC(C(=O)O)(C)C","",1,"Alanine, N-(aminocarbonyl)-2-methyl-(1)","38605-63-9(1)","4689","Medium Reliability"]
[2479,"NC(CCC(N)=O)C(O)=O\n\n\n","NC(=O)CCC(C(=O)O)N","O=C(O)C(N)CCC(=O)N","",1,"GLUTAMINE(1)","56-85-9(1)","110","Medium Reliability","Stereochemistry removed"]
[2480,"CN1CSC(=S)N(C)C1\n\n\n","CN1CN(C)CSC1=S","C1(N(C)CN(C)CS1)(=S)","",1,"DMTT (DAZOMET)(1)","533-74-4(1)","2027","Medium Reliability"]
[2481,"CCCCC=O\nOCCCC=C\n\n","CCCCC=O","O=CCCCC","",2,"1-PENTANAL(1), 4-PENTEN-1-OL(1)","110-62-3(1), 821-09-0(1)","1182, 2698","High Reliability"]
[2482,"C1CCOCC1\n\n\n","C1CCCOC1","O1CCCCC1","",1,"TETRAHYDROPYRAN(1)","142-68-7(1)","1586","High Reliability"]
[2483,"CCOC1CC1\n\n\n","CCOC1CC1","O(CC)C1CC1","",1,"CYCLOPROPANE, ETHOXY-(1)","5614-38-0(1)","3637","High Reliability"]
[2484,"CCCC(C)=O\nCC=CC(C)O\n\n","CCCC(=O)C","O=C(C)CCC","",2,"2-PENTANONE(1), 3-PENTEN-2-OL(1)","107-87-9(1), 1569-50-2(1)","1055, 2927","High Reliability","Stereochemistry removed"]
[2485,"CCC(=O)CC\nCCC(O)C=C\n\n","CCC(=O)CC","O=C(CC)CC","",2,"3-PENTANONE(1), 1-PENTEN-3-OL(1)","96-22-0(1), 616-25-1(1)","770, 2443","High Reliability"]
[2486,"CC(C)C(C)=O\n\n\n","CC(=O)C(C)C","O=C(C)C(C)C","",1,"3-METHYL-2-BUTANONE(1)","563-80-4(1)","2181","High Reliability"]
[2487,"CC(C)(O)C=C\n\n\n","C=CC(O)(C)C","OC(C=C)(C)C","",1,"3-Buten-2-ol, 2-methyl-(1)","115-18-4(1)","1273","High Reliability"]
[2488,"CC(C)CC=O\n\n\n","O=CCC(C)C","O=CCC(C)C","",1,"3-METHYL-1-BUTANAL(1)","590-86-3(1)","2293","High Reliability"]
[2489,"CC1CCOC1\n\n\n","CC1COCC1","O1CCC(C)C1","",1,"Furan, tetrahydro-3-methyl-(1)","13423-15-9(1)","3974","High Reliability"]
[2490,"CC1CCCO1\n\n\n","CC1CCCO1","O1CCCC1C","",1,"2-METHYLTETRAHYDROFURAN(1)","96-47-9(1)","778","High Reliability"]
[2491,"CCCCC(O)=O\n[Zn+2].CCCCC([O-])=O.CCCCC([O-])=O\n\n","CCCCC(=O)O","O=C(O)CCCC","",2,"PENTANOIC ACID(1), Zinc Valerate(1)","109-52-4(1), 556-38-7(1)","1129, 2156","High Reliability"]
[2492,"CCCCOC=O\n\n\n","CCCCOC=O","O=COCCCC","",1,"N-BUTYLFORMATE(1)","592-84-7(1)","2317","Medium Reliability"]
[2493,"CCC1OCCO1\n\n\n","CCC1OCCO1","O1CCOC1CC","",1,"1,3-DIOXOLANE, 2-ETHYL-(1)","2568-96-9(1)","3238","High Reliability"]
[2494,"CCC(C)C(O)=O\n\n\n","CC(C(=O)O)CC","O=C(O)C(C)CC","",1,"BUTANOIC ACID, 2-METHYL-(1)","116-53-0(1)","1303","High Reliability"]
[2495,"CCCC(=O)OC\n\n\n","CCCC(=O)OC","O=C(OC)CCC","",1,"METHYLBUTYRATE(1)","623-42-7(1)","2496","High Reliability"]
[2496,"CCCOC(C)=O\n\n\n","CCCOC(=O)C","O=C(OCCC)C","",1,"N-PROPYL ACETATE(1)","109-60-4(1)","1135","High Reliability"]
[2497,"CCOC(=O)CC\n\n\n","CCOC(=O)CC","O=C(OCC)CC","",1,"ETHYL PROPIONATE(1)","105-37-3(1)","968","High Reliability"]
[2498,"CC(C)CC(O)=O\n\n\n","CC(CC(=O)O)C","O=C(O)CC(C)C","",1,"ISOVALERIC ACID(1)","503-74-2(1)","1926","High Reliability"]
[2499,"CC(C)OC(C)=O\n\n\n","CC(OC(=O)C)C","O=C(OC(C)C)C","",1,"ISOPROPYL ACETATE(1)","108-21-4(1)","1074","High Reliability"]
[2500,"CC(O)C(C)C=O\n\n\n","CC(C(O)C)C=O","O=CC(C)C(O)C","",1,"Butanal, 3-hydroxy-2-methyl-(1)","99506-67-9(1)","5439","Medium Reliability"]
[2501,"CC(C)COC=O\n\n\n","O=COCC(C)C","O=COCC(C)C","",1,"ISOBUTYL FORMATE(1)","542-55-2(1)","2091","High Reliability"]
[2502,"CC1(C)OCCO1\n\n\n","CC1(C)OCCO1","O1CCOC1(C)C","",1,"1,3-DIOXOLANE, 2,2-DIMETHYL-(1)","2916-31-6(1)","3297","High Reliability"]
[2503,"CC(C)(C)C(O)=O\n\n\n","OC(=O)C(C)(C)C","O=C(O)C(C)(C)C","",1,"2,2-Dimethyl propanoic acid(1)","75-98-9(1)","377","High Reliability"]
[2504,"CC(C)(CO)C=O\n\n\n","OCC(C=O)(C)C","O=CC(C)(C)CO","",1,"3-HYDROXY-2,2-DIMETHYLPROPANAL(1)","597-31-9(1)","2335","High Reliability"]
[2505,"OCC1CCCO1\n\n\n","OCC1CCCO1","OCC1OCCC1","",1,"TETRAHYDROFURFURYL ALCOHOL(1)","97-99-4(1)","806","High Reliability"]
[2506,"CC(=O)OCC(S)CS\n\n\n","CC(=O)OCC(CS)S","O=C(OCC(CS)S)C","",1,"1-Propanol, 2,3-dimercapto-, 1-acetate(1)","98070-12-3(1)","5415","Medium Reliability"]
[2507,"CCOC(=O)OCC\n\n\n","CCOC(=O)OCC","O=C(OCC)OCC","",1,"DIETHYL CARBONATE(1)","105-58-8(1)","978","High Reliability"]
[2508,"CCOC(=O)C(C)O\n\n\n","CCOC(=O)C(O)C","O=C(OCC)C(O)C","",1,"ETHYL LACTATE(1)","97-64-3(1)","800","High Reliability"]
[2509,"COCCOC(C)=O\n\n\n","COCCOC(=O)C","O=C(OCCOC)C","",1,"2-METHOXYETHYL ACETATE(1)","110-49-6(1)","1174","High Reliability"]
[2510,"COCCC(=O)OC\n\n\n","COCCC(=O)OC","O=C(OC)CCOC","",1,"Propanoic acid, 3-methoxy-, methyl ester(1)","3852-09-3(1)","3440","High Reliability"]
[2511,"CCCCCBr\n\n\n","CCCCCBr","CCCCCBr","",1,"1-BROMOPENTANE(1)","110-53-2(1)","1176","High Reliability"]
[2512,"CC(C)CCBr\n\n\n","BrCCC(C)C","CC(C)CCBr","",1,"1-BROMO-3-METHYLBUTANE(1)","107-82-4(1)","1053","High Reliability"]
[2513,"CCCCCCl\n\n\n","CCCCCCl","CCCCCCl","",1,"1-CHLOROPENTANE(1)","543-59-9(1)","2101","High Reliability"]
[2514,"CCCC(C)Cl\n\n\n","CCCC(Cl)C","CCCC(C)Cl","",1,"2-CHLOROPENTANE(1)","625-29-6(1)","2516","High Reliability"]
[2515,"CCC(Cl)CC\n\n\n","CCC(CC)Cl","CCC(CC)Cl","",1,"3-CHLOROPENTANE(1)","616-20-6(1)","2442","High Reliability"]
[2516,"CCC(C)(C)Cl\n\n\n","CCC(Cl)(C)C","CCC(C)(C)Cl","",1,"BUTANE, 2-CHLORO-2-METHYL-(1)","594-36-5(1)","2323","High Reliability"]
[2517,"CN(CCCl)CCCl\n\n\n","ClCCN(CCCl)C","N(C)(CCCl)CCCl","",1,"Mechlorethamine(1)","51-75-2(1)","53","High Reliability"]
[2518,"COC(C)C(C)Cl\n\n\n","COC(C(Cl)C)C","O(C)C(C)C(C)Cl","",1,"Butane, 2-chloro-3-methoxy-(1)","102671-05-6(1)","5476","Medium Reliability"]
[2519,"CC(Cl)C(C)(C)O\n\n\n","CC(C(O)(C)C)Cl","OC(C)(C)C(C)Cl","",1,"2-Butanol, 3-chloro-2-methyl-(1)","21326-62-5(1)","4292","Medium Reliability"]
[2520,"C1CCNCC1\n\n\n","C1CCCNC1","N1CCCCC1","",1,"PIPERIDINE(1)","110-89-4(1)","1197","High Reliability"]
[2521,"CCOP(=O)(C#N)N(C)C\n\n\n","CCOP(=O)(N(C)C)C#N","N#CP(=O)(OCC)N(C)C","",1,"TABUN(1)","77-81-6(1)","424","High Reliability"]
[2522,"CCN(CC)C=O\n\n\n","CCN(C=O)CC","O=CN(CC)CC","",1,"N,N-DIETHYLFORMAMIDE(1)","617-84-5(1)","2459","High Reliability"]
[2523,"CN1CCOCC1\n\n\n","CN1CCOCC1","O1CCN(C)CC1","",1,"N-METHYLMORPHOLINE(1)","109-02-4(1)","1118","High Reliability"]
[2524,"CCCC(N)C(O)=O\n\n\n","CCCC(C(=O)O)N","O=C(O)C(N)CCC","",3,"Norvaline(1), DL-Norvaline(1), NORVALINE(1)","498-18-0(1), 760-78-1(1), 6600-40-4(1)","1900, 2675, 3767","Medium Reliability, High Reliability","Stereochemistry removed"]
[2525,"CCCCC[N+]([O-])=O\n\n\n","CCCCC[N+](=O)[O-]","O=[N+]([O-])CCCCC","",1,"1-NITROPENTANE(1)","628-05-7(1)","2551","High Reliability"]
[2526,"CCCCOC(N)=O\n\n\n","CCCCOC(=O)N","O=C(OCCCC)N","",1,"O-BUTYL CARBAMATE(1)","592-35-8(1)","2312","Medium Reliability"]
[2527,"CC(C)C(N)C(O)=O\n\n\n","NC(C(=O)O)C(C)C","O=C(O)C(N)C(C)C","",2,"VALINE(1), DL-Valine(1)","72-18-4(1), 516-06-3(1)","291, 1973","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2528,"CCC(C)(N)C(O)=O\n[H+].[Cl-].CCC(C)(N)C(O)=O\n\n","CC(C(=O)O)(CC)N","O=C(O)C(N)(C)CC","",1,"DL-Isovaline(1)","595-39-1(1)","2330","High Reliability","Checked on PubChem, Checked on ChemID"]
[2529,"CCNC(=O)OCC\n\n\n","CCNC(=O)OCC","O=C(OCC)NCC","",1,"ETHYL ETHYLCARBAMATE(1)","623-78-9(1)","2497","High Reliability"]
[2530,"CC(C)COC(N)=O\n\n\n","CC(COC(=O)N)C","O=C(OCC(C)C)N","",1,"Carbamic acid, 2-methylpropyl ester(1)","543-28-2(1)","2098","High Reliability"]
[2531,"CC(C)(C)OC(N)=O\n\n\n","NC(=O)OC(C)(C)C","O=C(OC(C)(C)C)N","",1,"O-T-BUTYL CARBAMATE(1)","4248-19-5(1)","3474","Medium Reliability"]
[2532,"C[N+](C)(C)CC([O-])=O\n\n\n","OC(=O)C[N+](C)(C)C","O=C(O)C[N+](C)(C)C","",1,"BETAINE(1)","107-43-7(1)","1045","High Reliability"]
[2533,"NCCCCC(O)=O\n\n\n","NCCCCC(=O)O","O=C(O)CCCCN","",1,"5-AMINOPENTANOIC ACID(1)","660-88-8(1)","2620","High Reliability"]
[2534,"CSCCC(N)C(O)=O\n\n\n","CSCCC(C(=O)O)N","O=C(O)C(N)CCSC","",2,"DL-Methionine(1), METHIONINE(1)","59-51-8(1), 63-68-3(1)","171, 219","High Reliability","Stereochemistry removed"]
[2535,"CCCCCO[N+]([O-])=O\n\n\n","CCCCCO[N+](=O)[O-]","O=[N+]([O-])OCCCCC","",1,"1-PENTYL NITRATE(1)","1002-16-0(1)","2791","High Reliability"]
[2536,"CCOCC(N)C(O)=O\n\n\n","CCOCC(C(=O)O)N","O=C(O)C(N)COCC","",1,"Serine, O-ethyl-(1)","4775-82-0(1)","3534","Medium Reliability","Stereochemistry removed"]
[2537,"CC(C)CCO[N+]([O-])=O\nCC(C)CCO.O[N+]([O-])=O\n\n","CC(CCO[N+](=O)[O-])C","O=[N+]([O-])OCCC(C)C","",1,"1-butanol,3-methyl-,nitrate(1)","543-87-3(1)","2104","High Reliability","Name verified in PubChem"]
[2538,"CCC(CO)(CO)[N+]([O-])=O\n\n\n","CCC([N+](=O)[O-])(CO)CO","O=[N+]([O-])C(CO)(CO)CC","",1,"2-ETHYL-2-NITRO-1,3-PROPANEDIOL(1)","597-09-1(1)","2334","High Reliability"]
[2539,"CN(C)C1CSSC1\n\n\n","CN(C1CSSC1)C","N(C)(C)C1CSSC1","",1,"Nereistoxin(1)","1631-58-9(1)","2946","High Reliability"]
[2540,"CCCCC\n\n\n","CCCCC","CCCCC","",1,"N-PENTANE(1)","109-66-0(1)","1138","High Reliability"]
[2541,"CCC(C)C\n\n\n","CCC(C)C","CCC(C)C","",1,"ISOPENTANE(1)","78-78-4(1)","446","High Reliability"]
[2542,"CC(C)(C)C\n\n\n","CC(C)(C)C","CC(C)(C)C","",1,"2,2-DIMETHYLPROPANE(1)","463-82-1(1)","1812","High Reliability"]
[2543,"CN(C)CCCCl\n[H+].[Cl-].CN(C)CCCCl\n\n","ClCCCN(C)C","N(C)(C)CCCCl","",1,"1-Propanamine, 3-chloro-N,N-dimethyl-(1)","109-54-6(1)","1131","High Reliability","Differences in counterions"]
[2544,"CCOP(=S)(OCC)SCCl\n\n\n","CCOP(=S)(SCCl)OCC","O(CC)P(OCC)(=S)SCCl","",1,"CHLORMEPHOS(1)","24934-91-6(1)","4373","High Reliability"]
[2545,"CC1CNCCN1\n\n\n","CC1CNCCN1","N1CCNC(C)C1","",1,"Piperazine, 2-methyl-(1)","109-07-9(1)","1121","High Reliability"]
[2546,"CC(C)(C)NC(N)=O\n\n\n","NC(=O)NC(C)(C)C","O=C(N)NC(C)(C)C","",1,"Urea, (1,1-dimethylethyl)-(1)","1118-12-3(1)","2832","High Reliability"]
[2547,"CN(C)C(=O)N(C)C\n\n\n","CN(C(=O)N(C)C)C","O=C(N(C)C)N(C)C","",1,"TETRAMETHYLUREA(1)","632-22-4(1)","2580","High Reliability"]
[2548,"CCC(C)NC(N)=S\n\n\n","CC(NC(=S)N)CC","NC(NC(C)CC)=S","",1,"Thiourea, (1-methylpropyl)-(1)","6814-99-9(1)","3784","Medium Reliability","Stereochemistry removed"]
[2549,"CSC(=NC)N(C)C\n\n\n","CSC(=NC)N(C)C","N(=C(N(C)C)SC)C","",1,"Carbamimidothioic acid, trimethyl-, methyl ester(1)","61713-37-9(1)","5009","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[2550,"CNC(=O)CSP(=S)(OC)OC\n\n\n","CNC(=O)CSP(=S)(OC)OC","O=C(NC)CSP(OC)(OC)=S","",1,"DIMETHOATE(1)","60-51-5(1)","190","High Reliability"]
[2551,"[NH4+].CP(O)(=O)CCC(N)C([O-])=O\n\n\n","OC(=O)C(CCP(=O)(O)C)N","O=C(O)C(N)CCP(=O)(O)C","",1,"GLUFOSINATE-AMMONIUM(1)","77182-82-2(1)","5235","High Reliability"]
[2552,"CNC(=O)CSP(=O)(OC)OC\n\n\n","CNC(=O)CSP(=O)(OC)OC","O=C(NC)CSP(=O)(OC)OC","",1,"DIMETHOXON(1)","1113-02-6(1)","2824","High Reliability"]
[2553,"CCCCCO\n\n\n","CCCCCO","OCCCCC","",1,"1-PENTANOL(1)","71-41-0(1)","285","High Reliability"]
[2554,"CCCC(C)O\n\n\n","CCCC(O)C","OC(C)CCC","",1,"2-PENTANOL(1)","6032-29-7(1)","3691","High Reliability"]
[2555,"CCCCOC\n\n\n","CCCCOC","O(C)CCCC","",1,"METHYL N-BUTYL ETHER(1)","628-28-4(1)","2552","High Reliability"]
[2556,"CCC(C)CO\n\n\n","CCC(CO)C","OCC(C)CC","",1,"2-METHYL-1-BUTANOL(1)","137-32-6(1)","1532","High Reliability"]
[2557,"CCC(O)CC\n\n\n","CCC(CC)O","OC(CC)CC","",1,"3-PENTANOL(1)","584-02-1(1)","2243","High Reliability"]
[2558,"CCCOCC\n\n\n","CCOCCC","O(CC)CCC","",1,"ETHYL PROPYL ETHER(1)","628-32-0(1)","2553","High Reliability"]
[2559,"CC(C)C(C)O\n\n\n","CC(C(C)C)O","OC(C)C(C)C","",1,"3-METHYL-2-BUTANOL(1)","598-75-4(1)","2351","High Reliability"]
[2560,"CCC(C)OC\n\n\n","CCC(OC)C","O(C)C(C)CC","",1,"SEC-BUTYL METHYL ETHER(1)","6795-87-5(1)","3781","High Reliability","Checked on PubChem, Checked on ChemID"]
[2561,"CCC(C)(C)O\n\n\n","CCC(O)(C)C","OC(C)(C)CC","",1,"2-METHYL-2-BUTANOL(1)","75-85-4(1)","370","High Reliability"]
[2562,"CCOC(C)C\n\n\n","CCOC(C)C","O(CC)C(C)C","",1,"ETHYL ISOPROPYL ETHER(1)","625-54-7(1)","2520","High Reliability"]
[2563,"CC(C)CCO\n\n\n","OCCC(C)C","OCCC(C)C","",1,"ISOPENTANOL(1)","123-51-3(1)","1418","High Reliability"]
[2564,"COCC(C)C\n\n\n","COCC(C)C","O(C)CC(C)C","",1,"METHYL ISOBUTYL ETHER(1)","625-44-5(1)","2517","High Reliability"]
[2565,"CC(C)(C)CO\n\n\n","OCC(C)(C)C","OCC(C)(C)C","",1,"2,2-DIMETHYL-1-PROPANOL(1)","75-84-3(1)","369","High Reliability"]
[2566,"COC(C)(C)C\n\n\n","COC(C)(C)C","O(C)C(C)(C)C","",1,"METHYL T-BUTYL ETHER(1)","1634-04-4(1)","2947","High Reliability"]
[2567,"CCOCOCC\n\n\n","CCOCOCC","O(COCC)CC","",1,"DIETHOXYMETHANE(1)","462-95-3(1)","1811","High Reliability"]
[2568,"CC(C)OCCO\n\n\n","OCCOC(C)C","OCCOC(C)C","",1,"2-Isopropoxyethanol(1)","109-59-1(1)","1134","High Reliability"]
[2569,"COCCOCCO\n\n\n","COCCOCCO","OCCOCCOC","",1,"DIETHYLENE GLYCOL MONOMETHYL ETHER(1)","111-77-3(1)","1231","High Reliability"]
[2570,"OCC(CO)(CO)CO\n\n\n","OCC(CO)(CO)CO","OCC(CO)(CO)CO","",1,"PENTAERYTHRITOL(1)","115-77-5(1)","1288","High Reliability"]
[2571,"CC(C)(S(C)(=O)=O)S(C)(=O)=O\n\n\n","CC(S(=O)(=O)C)(S(=O)(=O)C)C","O=S(=O)(C)C(C)(C)S(=O)(=O)C","",1,"Propane, 2,2-bis(methylsulfonyl)-(1)","60154-00-9(1)","4981","High Reliability"]
[2572,"OCC(O)C(O)C(O)CO\n\n\n","OCC(C(C(CO)O)O)O","OCC(O)C(O)C(O)CO","",1,"Xylitol(1)","87-99-0(1)","605","High Reliability","Stereochemistry removed"]
[2573,"CCCCCS\n\n\n","CCCCCS","CCCCCS","",1,"1-PENTANETHIOL(1)","110-66-7(1)","1185","High Reliability"]
[2574,"CCCCCN\n\n\n","CCCCCN","NCCCCC","",1,"N-PENTYLAMINE(1)","110-58-7(1)","1180","High Reliability"]
[2575,"CCCCNC\nCCCC[NH2+]C\n\n","CCCCNC","N(C)CCCC","",1,"METHYLBUTYLAMINE(1)","110-68-9(1)","1186","High Reliability"]
[2576,"CCN(C)CC\nCC[NH+](C)CC\n\n","CCN(CC)C","N(C)(CC)CC","",1,"Ethanamine, N-ethyl-N-methyl-(1)","616-39-7(1)","2444","High Reliability"]
[2577,"CCNC(C)C\n\n\n","CCNC(C)C","N(CC)C(C)C","",1,"ETHYL ISOPROPYLAMINE(1)","19961-27-4(1)","4244","High Reliability"]
[2578,"CC(C)N(C)C\n\n\n","CN(C(C)C)C","N(C)(C)C(C)C","",1,"N,N-Dimethylisopropylamine(1)","996-35-0(1)","2786","High Reliability"]
[2579,"CCC(N)(CO)CO\n\n\n","CCC(CO)(CO)N","OCC(N)(CO)CC","",1,"1,3-Propanediol, 2-amino-2-ethyl-(1)","115-70-8(1)","1286","High Reliability"]
[2580,"CN(CCO)CCO\n\n\n","OCCN(CCO)C","OCCN(C)CCO","",1,"N-METHYLDIETHANOLAMINE(1)","105-59-9(1)","979","High Reliability"]
[2581,"CCCOP(=O)(OC)OC\n\n\n","CCCOP(=O)(OC)OC","O=P(OC)(OC)OCCC","",1,"Phosphoric acid, dimethyl propyl ester(1)","59259-32-4(1)","4970","Medium Reliability"]
[2582,"CN(C)CCCN\n\n\n","NCCCN(C)C","NCCCN(C)C","",1,"1,3-Propanediamine, N,N-dimethyl-(1)","109-55-7(1)","1132","High Reliability"]
[2583,"CC(O)CNCCN\n\n\n","NCCNCC(O)C","OC(C)CNCCN","",1,"1-[(2-Aminoethyl)amino]-2-propanol(1)","123-84-2(1)","1427","Medium Reliability"]
[2584,"OC(=O)c1c(Br)c(Br)co1\n\n\n","OC(=O)c1occ(c1Br)Br","O=C(O)c1occ(c1Br)Br","",1,"2-Furancarboxylic acid, 3,4-dibromo-(1)","32460-04-1(1)","4535","Medium Reliability"]
[2585,"OC(=O)c1c(Cl)c(Cl)co1\n\n\n","OC(=O)c1occ(c1Cl)Cl","O=C(O)c1occ(c1Cl)Cl","",1,"2-Furancarboxylic acid, 3,4-dichloro-(1)","69727-40-8(1)","5126","High Reliability"]
[2586,"Brc1ccc(o1)C=O\n\n\n","Brc1ccc(o1)C=O","O=Cc1oc(cc1)Br","",1,"2-Furancarboxaldehyde, 5-bromo-(1)","1899-24-7(1)","3015","High Reliability"]
[2587,"OC(=O)c1cc(Br)co1\n\n\n","OC(=O)c1cc(co1)Br","O=C(O)c1occ(c1)Br","",1,"2-Furancarboxylic acid, 4-bromo-(1)","3439-02-9(1)","3384","Medium Reliability"]
[2588,"OC(=O)c1ccc(Br)o1\n\n\n","OC(=O)c1ccc(o1)Br","O=C(O)c1oc(cc1)Br","",1,"2-Furancarboxylic acid, 5-bromo-(1)","585-70-6(1)","2250","High Reliability"]
[2589,"Clc1ncnc2nc[nH]c12\n\n\n","Clc1ncnc2c1[nH]cn2","n1cnc(c2[nH]cnc12)Cl","",1,"6-Chloropurine(1)","87-42-3(1)","588","High Reliability","Checked on PubChem, Checked on ChemID"]
[2590,"OC(=O)c1ccc(Cl)o1\n[O-]C(=O)c1oc(Cl)cc1\n\n","OC(=O)c1ccc(o1)Cl","O=C(O)c1oc(cc1)Cl","",1,"2-Furancarboxylic acid, 5-chloro-(1)","618-30-4(1)","2463","High Reliability"]
[2591,"Brc1ccccn1\n\n\n","Brc1ccccn1","n1ccccc1Br","",1,"2-BROMOPYRIDINE(1)","109-04-6(1)","1119","High Reliability"]
[2592,"Clc1ncccc1\n\n\n","Clc1ccccn1","n1ccccc1Cl","",1,"2-CHLOROPYRIDINE(1)","109-09-1(1)","1123","High Reliability"]
[2593,"Ic1c[nH]c(=O)cc1\n\n\n","Ic1ccc(=O)[nH]c1","O=C1C=CC(=CN1)I","",1,"2(1H)-Pyridinone, 5-iodo-(1)","13472-79-2(1)","3980","High Reliability"]
[2594,"OC(=O)c1cc(O)nc(O)n1\nOC(=O)c1cc(=O)[nH]c(=O)[nH]1\n\n","Oc1nc(O)nc(c1)C(=O)O","O=C(O)c1nc(O)nc(O)c1","",1,"OROTIC ACID(1)","65-86-1(1)","240","High Reliability"]
[2595,"OC(=O)c1c(nc[nH]1)C(O)=O\n\n\n","OC(=O)c1[nH]cnc1C(=O)O","O=C(O)c1nc[nH]c1(C(=O)O)","",1,"1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID(1)","570-22-9(1)","2202","High Reliability"]
[2596,"ON=Cc1ccc(o1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(o1)C=NO","O=[N+]([O-])c1oc(C=NO)cc1","",1,"NIFUROXIME(1)","6236-05-1(1)","3718","High Reliability","Stereochemistry removed"]
[2597,"[nH]1cnc2cncnc12\n[nH]1cnc-2ncnc2c1\n\n","c1ncc2c(n1)[nH]cn2","n1cnc2[nH]cnc2(c1)","",1,"1H-PURINE(1)","120-73-0(1)","1361","High Reliability"]
[2598,"Oc1ncnc2c1cn[nH]2\nO=c1ncnc-2[nH][nH]cc12\n\n","Oc1ncnc2c1cn[nH]2","Oc1ncnc2[nH]ncc12","",1,"ALLOPURINOL(1)","315-30-0(1)","1723","High Reliability"]
[2599,"O=c1[nH]cnc2c1[nH]cn2\nO=c1nc[nH]c2nc[nH]c12\n\n","O=c1[nH]cnc2c1[nH]cn2","O=C2NC=Nc1nc[nH]c12","",1,"HYPOXANTHINE(1)","68-94-0(1)","263","High Reliability"]
[2600,"O=c1[nH]c2c([nH]cn2)cn1\nO=c1[nH]cc-2ncnc2[nH]1\n\n","O=c1ncc2c([nH]1)nc[nH]2","O=C1N=Cc2[nH]cnc2(N1)","",1,"2H-Purin-2-one, 1,3-dihydro-(1)","2308-57-8(1)","3164","High Reliability"]
[2601,"O=c1[nH]c-2c[nH]cnc2n1\nO=c1[nH]c2cncnc2[nH]1\n\n","O=c1nc2c([nH]1)c[nH]cn2","O=C1N=C2N=CNC=C2(N1)","",1,"8H-Purin-8-one, 1,7-dihydro-(1)","13230-97-2(1)","3963","Medium Reliability","Checked on PubChem"]
[2602,"O=c1[nH]c2c([nH]cn2)c(=O)[nH]1\n\n\n","O=c1[nH]c(=O)c2c([nH]1)nc[nH]2","O=C1NC(=O)c2[nH]cnc2(N1)","",1,"XANTHINE(1)","69-89-6(1)","271","High Reliability"]
[2603,"O=c1[nH]c2c([nH]1)c(=O)[nH]c(=O)[nH]2\n\n\n","O=c1[nH]c2c([nH]1)[nH]c(=O)[nH]c2=O","O=C1NC(=O)C=2NC(=O)NC=2(N1)","",1,"URIC ACID(1)","69-93-2(1)","272","High Reliability"]
[2604,"S=c1[nH]cnc2c1nc[nH]2\nO.Sc1ncnc2nc[nH]c12\nS=c1nc[nH]c2nc[nH]c12\n","S=c1[nH]cnc2c1nc[nH]2","N1=CNC(c2nc[nH]c12)=S","",1,"6-PURINETHIOL HYDRATE(1)","50-44-2(1)","22","Medium Reliability"]
[2605,"Sc1ncc-2ncnc2[nH]1\nS=c1[nH]cc-2ncnc2[nH]1\nS=c1[nH]c2nc[nH]c2cn1\n","Sc1ncc2c([nH]1)ncn2","N1=CN=C2NC(=NC=C12)S","",1,"2H-Purine-2-thione, 1,3-dihydro-(1)","28128-19-0(1)","4457","High Reliability"]
[2606,"S=c1[nH]c2cncnc2[nH]1\nS=c1[nH]c-2c[nH]cnc2n1\n\n","S=c1[nH]c2c([nH]1)cncn2","n1cnc2NC(Nc2(c1))=S","",1,"8H-Purine-8-thione, 1,7-dihydro-(1)","583-40-4(1)","2236","Medium Reliability"]
[2607,"C=C1OC(=O)C=C1\n\n\n","C=C1C=CC(=O)O1","O=C1OC(=C)C=C1","",1,"2(5H)-FURANONE, 5-METHYLENE-(1)","108-28-1(1)","1076","High Reliability"]
[2608,"O=Cc1ccco1\n\n\n","O=Cc1ccco1","O=Cc1occc1","",1,"FUFURAL(1)","98-01-1(1)","808","Medium Reliability"]
[2609,"OC(=O)c1cscc1\n\n\n","OC(=O)c1cscc1","O=C(O)c1ccsc1","",1,"THIOPHENE-3-CARBOXYLIC ACID(1)","88-13-1(1)","609","High Reliability"]
[2610,"OC(=O)c1cccs1\n\n\n","OC(=O)c1cccs1","O=C(O)c1cccs1","",1,"THIOPHENE-2-CARBOXYLIC ACID(1)","527-72-0(1)","2001","High Reliability"]
[2611,"OC(=O)c1ccco1\n\n\n","OC(=O)c1ccco1","O=C(O)c1occc1","",1,"2-FURANCARBOXYLIC ACID(1)","88-14-2(1)","610","High Reliability"]
[2612,"CCOc1nc(ns1)C(Cl)(Cl)Cl\n\n\n","CCOc1snc(n1)C(Cl)(Cl)Cl","n1c(nsc1OCC)C(Cl)(Cl)Cl","",1,"etridazole(1)","2593-15-9(1)","3248","Medium Reliability","Name verified in PubChem"]
[2613,"C=CC=CC#N\n\n\n","C=CC=CC#N","N#CC=CC=C","",1,"2,4-Pentadienenitrile(1)","1615-70-9(1)","2944","High Reliability","Stereochemistry removed"]
[2614,"c1ccncc1\n\n\n","c1cccnc1","n1ccccc1","",1,"PYRIDINE(1)","110-86-1(1)","1195","High Reliability"]
[2615,"NC(=O)c1nccnc1\n\n\n","NC(=O)c1cnccn1","O=C(N)c1nccnc1","",1,"2-PYRAZINECARBOXAMIDE(1)","98-96-4(1)","833","High Reliability"]
[2616,"Cn1cc(c(=O)[nH]c1=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cn(C)c(=O)[nH]c1=O","O=C1NC(=O)N(C=C1[N+](=O)[O-])C","",1,"2,4(1H,3H)-Pyrimidinedione, 1-methyl-5-nitro-(1)","28495-88-7(1)","4465","Medium Reliability"]
[2617,"Nc1ncnc2c1nc[nH]2\nNc1ncnc2nc[nH]c12\n\n","Nc1ncnc2c1nc[nH]2","n1cnc2[nH]cnc2(c1N)","",1,"ADENINE(1)","73-24-5(1)","300","High Reliability"]
[2618,"Nc1ncc2[nH]cnc2n1\nNc1[nH]cc-2ncnc2n1\n\n","Nc1ncc2c(n1)nc[nH]2","n1c[nH]c2cnc(nc12)N","",1,"1H-Purin-2-amine(1)","452-06-2(1)","1793","High Reliability"]
[2619,"Nc1nc2c(nc[nH]2)c(=O)[nH]1\nNc1nc2nc[nH]c2c(=O)[nH]1\nNc1nc(=O)c2[nH]cnc2[nH]1\n","Nc1[nH]c(=O)c2c(n1)[nH]cn2","O=C1NC(=Nc2[nH]cnc12)N","",1,"GUANINE(1)","73-40-5(1)","302","High Reliability"]
[2620,"Oc1ccncc1\nO=c1cc[nH]cc1\n\n","Oc1ccncc1","Oc1ccncc1","",1,"4-HYDROXYPYRIDINE(1)","626-64-2(1)","2530","High Reliability"]
[2621,"Oc1cnccc1\n\n\n","Oc1cccnc1","Oc1cnccc1","",1,"3-HYDROXYPYRIDINE(1)","109-00-2(1)","1117","High Reliability"]
[2622,"O=c1[nH]cccc1\nOc1ccccn1\n\n","O=c1cccc[nH]1","O=C1C=CC=CN1","",1,"2-HYDROXYPYRIDINE(1)","142-08-5(1)","1577","High Reliability"]
[2623,"[O-][n+]1ccccc1\n\n\n","[O-][n+]1ccccc1","[O-][n+]1ccccc1","",1,"PYRIDINE, 1-OXIDE(1)","694-59-7(1)","2639","High Reliability"]
[2624,"Oc1cc(O)ncc1\nOc1cc(=O)cc[nH]1\n\n","Oc1ccnc(c1)O","Oc1nccc(O)c1","",1,"2,4-Dihydroxypyridine(1)","626-03-9(1)","2525","High Reliability"]
[2625,"C1C=CC=C1\n\n\n","C1C=CC=C1","C=1C=CCC=1","",1,"CYCLOPENTADIENE(1)","542-92-7(1)","2095","High Reliability"]
[2626,"CC1(C)N(Cl)C(=O)N(Cl)C1=O\n\n\n","ClN1C(=O)N(C(C1=O)(C)C)Cl","O=C1N(C(=O)C(N1Cl)(C)C)Cl","",1,"1,3-DICHLORO-5,5-DIMETHYLHYDANTOIN(1)","118-52-5(1)","1320","High Reliability"]
[2627,"Cc1nccnc1\n\n\n","Cc1cnccn1","n1ccnc(c1)C","",1,"2-METHYLPYRAZINE(1)","109-08-0(1)","1122","High Reliability"]
[2628,"N#CCCCC#N\n\n\n","N#CCCCC#N","N#CCCCC#N","",1,"PENTANEDINITRILE(1)","544-13-8(1)","2108","High Reliability"]
[2629,"Nc1ccncc1\n\n\n","Nc1ccncc1","n1ccc(N)cc1","",1,"4-AMINOPYRIDINE(1)","504-24-5(1)","1927","High Reliability"]
[2630,"Nc1cnccc1\n\n\n","Nc1cccnc1","n1cccc(N)c1","",1,"3-AMINOPYRIDINE(1)","462-08-8(1)","1808","High Reliability"]
[2631,"Nc1ccccn1\n\n\n","Nc1ccccn1","n1ccccc1N","",1,"2-AMINOPYRIDINE(1)","504-29-0(1)","1928","High Reliability"]
[2632,"Cc1cc(=O)[nH]c(=O)[nH]1\n\n\n","Cc1cc(=O)[nH]c(=O)[nH]1","O=C1C=C(NC(=O)N1)C","",1,"24pyrimidinedione6methyl(1)","626-48-2(1)","2529","Medium Reliability","Name verified in PubChem"]
[2633,"Cc1c[nH]c(=O)[nH]c1=O\n\n\n","Cc1c[nH]c(=O)[nH]c1=O","O=C1NC=C(C(=O)N1)C","",1,"5-METHYLURACIL(1)","65-71-4(1)","237","High Reliability"]
[2634,"Cn1ccc(=O)[nH]c1=O\n\n\n","Cn1ccc(=O)[nH]c1=O","O=C1C=CN(C(=O)N1)C","",1,"1-METHYLURACIL(1)","615-77-0(1)","2440","High Reliability"]
[2635,"OC(=O)C=CC(O)=NC(O)=N\nNC(=O)NC(=O)C=CC(O)=O\n\n","OC(=O)C=CC(=NC(=N)O)O","O=C(O)C=CC(O)=NC(=N)O","",1,"2-Butenoic acid, 4-[(aminocarbonyl)amino]-4-oxo-(1)","502-45-4(1)","1919","Medium Reliability"]
[2636,"OC(=O)CC1N=C(O)N=C1O\nOC(=O)CC1NC(=O)NC1=O\n\n","OC(=O)CC1N=C(N=C1O)O","O=C(O)CC1N=C(O)N=C1(O)","",1,"(2,5-dioxoimidazolidin-4-yl)acetic acid(1)","5427-26-9(1)","3608","High Reliability"]
[2637,"Cc1cc(=O)[nH]c(=S)[nH]1\n\n\n","Cc1cc(=O)[nH]c(=S)[nH]1","O=C1C=C(NC(N1)=S)C","",1,"METACIL(1)","56-04-2(1)","88","High Reliability"]
[2638,"NNC(=O)c1cccs1\n\n\n","NNC(=O)c1cccs1","O=C(NN)c1cccs1","",1,"2-Thiophenecarboxylic acid, hydrazide(1)","2361-27-5(1)","3174","High Reliability"]
[2639,"CSc1ncccn1\n\n\n","CSc1ncccn1","n1cccnc1SC","",1,"PYRIMIDINE, 2-(METHYLTHIO)-(1)","823-09-6(1)","2703","Medium Reliability"]
[2640,"Cc1ccco1\n\n\n","Cc1ccco1","o1cccc1C","",1,"2-METHYLFURAN(1)","534-22-5(1)","2031","High Reliability"]
[2641,"CC1=CCC(=O)O1\nCC1OC(=O)C=C1\n\n","O=C1CC=C(O1)C","O=C1OC(=CC1)C","",2,"2(3H)-Furanone, 5-methyl-(1), Angelica Lactone(1)","591-12-8(1), 1333-38-6(1)","2297, 2893","High Reliability","Checked on PubChem, Checked on ChemID"]
[2642,"C=C1CCOC1=O\n\n\n","C=C1CCOC1=O","O=C1OCCC1(=C)","",1,"alpha-METHYLENE BUTYROLACTONE(1)","547-65-9(1)","2115","High Reliability"]
[2643,"OCc1ccco1\n\n\n","OCc1ccco1","OCc1occc1","",1,"2-HYDROXYMETHYLFURAN(1)","98-00-0(1)","807","High Reliability"]
[2644,"CC(=O)C=CC(O)=O\n\n\n","CC(=O)C=CC(=O)O","O=C(O)C=CC(=O)C","",1,"4-Oxo-pent-2-enoic acid(1)","2833-21-8(1)","3290","Medium Reliability"]
[2645,"OC(=O)CC(=C)C(O)=O\nCC(=CC(O)=O)C(O)=O\n\n","OC(=O)C=C(C(=O)O)C","O=C(O)C=C(C(=O)O)C","",3,"Butanedioic acid, methylene-(1), 2-Butenedioic acid, 2-methyl-, (E)-(1), Citraconic acid(1)","97-65-4(1), 498-24-8(1), 498-23-7(1)","801, 1903, 1902","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2646,"CC(=O)CC(=O)C(O)=O\n\n\n","CC(=O)CC(=O)C(=O)O","O=C(O)C(=O)CC(=O)C","",1,"Acetylpyruvic acid(1)","5699-58-1(1)","3656","High Reliability"]
[2647,"Cc1cscc1\n\n\n","Cc1cscc1","c1cscc1C","",1,"3-METHYLTHIOPHENE(1)","616-44-4(1)","2445","High Reliability"]
[2648,"Cc1c(N)[nH]c(=O)nc1\nCc1c[nH]c(=O)nc1N\n\n","Cc1cnc(=O)[nH]c1N","O=C1N=CC(=C(N)N1)C","",1,"5-Methylcytosine(1)","554-01-8(1)","2140","High Reliability"]
[2649,"Nc1ncc(cc1)S(N)(=O)=O\n\n\n","Nc1ccc(cn1)S(=O)(=O)N","O=S(=O)(N)c1cnc(N)cc1","",1,"3-Pyridinesulfonamide, 6-amino-(1)","57187-73-2(1)","4942","Medium Reliability"]
[2650,"NCc1ccco1\n\n\n","NCc1ccco1","o1cccc1CN","",1,"2-AMINOMETHYLFURAN(1)","617-89-0(1)","2460","High Reliability"]
[2651,"CCOC(=O)CC#N\n\n\n","CCOC(=O)CC#N","N#CCC(=O)OCC","",1,"ETHYL CYANOACETATE(1)","105-56-6(1)","976","High Reliability"]
[2652,"CC(OC(C)=O)C#N\n\n\n","CC(C#N)OC(=O)C","N#CC(OC(=O)C)C","",1,"Propanenitrile, 2-(acetyloxy)-(1)","15657-96-2(1)","4075","High Reliability"]
[2653,"OC(=O)C1CCC(=O)N1\n\n\n","O=C1CCC(N1)C(=O)O","O=C(O)C1NC(=O)CC1","",1,"L-Proline, 5-oxo-(1)","98-79-3(1)","823","High Reliability","Stereochemistry removed"]
[2654,"C=CCCN=C=S\n\n\n","C=CCCN=C=S","C(=NCCC=C)=S","",1,"1-Butene, 4-isothiocyanato-(1)","3386-97-8(1)","3375","High Reliability"]
[2655,"C1CC=CC1\n\n\n","C1CC=CC1","C1=CCCC1","",1,"CYCLOPENTENE(1)","142-29-0(1)","1580","High Reliability"]
[2656,"C=CCC=C\nCCCC#C\n\n","C=CCC=C","C=CCC=C","",2,"1,4-PENTADIENE(1), 1-PENTYNE(1)","591-93-5(1), 627-19-0(1)","2310, 2542","Medium Reliability, High Reliability"]
[2657,"CC(=C)C=C\n\n\n","C=CC(=C)C","C=CC(=C)C","",1,"2-METHYL-1,3-BUTADIENE(1)","78-79-5(1)","447","High Reliability"]
[2658,"BrCC(CBr)(CBr)CBr\n\n\n","BrCC(CBr)(CBr)CBr","C(C(CBr)(CBr)CBr)Br","",1,"PROPANE, 1,3-DIBROMO-2,2-BIS(BROMOMETHYL)-(1)","3229-00-3(1)","3354","High Reliability"]
[2659,"CCNc1nc(N)nc(Cl)n1\n\n\n","CCNc1nc(N)nc(n1)Cl","n1c(nc(nc1NCC)Cl)N","",1,"DESISOPROPYLATRAZINE(1)","1007-28-9(1)","2795","Medium Reliability"]
[2660,"CC1N=C(O)CN=C1O\nCC1NC(=O)CNC1=O\n\n","OC1=NC(C(=NC1)O)C","OC1=NC(C(O)=NC1)C","",1,"Piperazine-2,5-dione, 3-methyl-(1)","4526-77-6(1)","3506","High Reliability"]
[2661,"CC1(C)NC(=O)NC1=O\n\n\n","O=C1NC(=O)C(N1)(C)C","O=C1NC(=O)C(N1)(C)C","",1,"2,4-IMIDAZOLIDINEDIONE, 5,5-DIMETHYL-(1)","77-71-4(1)","420","High Reliability"]
[2662,"OC(=O)CNCCC#N\n\n\n","N#CCCNCC(=O)O","N#CCCNCC(=O)O","",1,"Glycine, N-(2-cyanoethyl)-(1)","3088-42-4(1)","3327","High Reliability"]
[2663,"ON=C1CCCC1=NO\nONC1=C(CCC1)N=O\n\n","ON=C1CCCC1=NO","ON=C1C(=NO)CCC1","",1,"1,2-Cyclopentanedione, dioxime(1)","6635-29-6(1)","3771","Medium Reliability","Checked on PubChem"]
[2664,"CC(=O)NC(=O)NC(C)=O\n\n\n","O=C(NC(=O)C)NC(=O)C","O=C(NC(=O)C)NC(=O)C","",1,"1,3-DIACETYLUREA(1)","638-20-0(1)","2602","Medium Reliability"]
[2665,"Cc1nnc(N)nc1C\n\n\n","Nc1nnc(c(n1)C)C","n1nc(c(nc1N)C)C","",1,"1,2,4-Triazin-3-amine, 5,6-dimethyl-(1)","17584-12-2(1)","4159","High Reliability"]
[2666,"[O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O\nOCC(CO)(CO)CO.O[N+]([O-])=O.O[N+]([O-])=O.O[N+]([O-])=O.O[N+]([O-])=O\n\n","[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","",1,"pentaerythritoltetranitrate(1)","78-11-5(1)","431","High Reliability","Name verified in PubChem"]
[2667,"Cn1nc(sc1=NC(C)=O)S(N)(=O)=O\n\n\n","CC(=O)N=c1sc(nn1C)S(=O)(=O)N","O=C(N=C1N(N=C(S1)S(=O)(=O)N)C)C","",1,"METHAZOLAMIDE(1)","554-57-4(1)","2142","High Reliability"]
[2668,"C=COC1CC1\n\n\n","C=COC1CC1","O(C=C)C1CC1","",1,"CYCLOPROPYL VINYL ETHER(1)","16545-67-8(1)","4105","High Reliability"]
[2669,"CC=C(C)C=O\n\n\n","CC=C(C=O)C","O=CC(=CC)C","",1,"2-Butenal, 2-methyl-, (E)-(1)","497-03-0(1)","1894","High Reliability","Stereochemistry removed"]
[2670,"CC(C)(O)C#C\n\n\n","C#CC(O)(C)C","C#CC(O)(C)C","",1,"2-METHYL-3-BUTYN-2-OL(1)","115-19-5(1)","1274","High Reliability"]
[2671,"CCC=CC(O)=O\n\n\n","CCC=CC(=O)O","O=C(O)C=CCC","",1,"2-Pentenoic acid(1)","626-98-2(1)","2536","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2672,"CC(=O)OCC=C\n\n\n","CC(=O)OCC=C","O=C(OCC=C)C","",1,"ALLYL ACETATE(1)","591-87-7(1)","2309","High Reliability"]
[2673,"CCOC(=O)C=C\n\n\n","CCOC(=O)C=C","O=C(OCC)C=C","",1,"ETHYL ACRYLATE(1)","140-88-5(1)","1559","High Reliability"]
[2674,"CCC(=O)C(C)=O\n\n\n","CCC(=O)C(=O)C","O=C(C(=O)CC)C","",1,"2,3-Pentanedione(1)","600-14-6(1)","2362","High Reliability"]
[2675,"COC(=O)C(C)=C\n\n\n","COC(=O)C(=C)C","O=C(OC)C(=C)C","",1,"METHYL METHACRYLATE(1)","80-62-6(1)","498","High Reliability"]
[2676,"CC(=O)CC(C)=O\n\n\n","CC(=O)CC(=O)C","O=C(C)CC(=O)C","",1,"2,4-PENTANEDIONE(1)","123-54-6(1)","1419","High Reliability"]
[2677,"CC(=O)C1(C)CO1\n\n\n","CC(=O)C1(C)CO1","O=C(C)C1(OC1)(C)","",1,"ETHANONE, 1-(2-METHYLOXIRANYL)-(1)","4587-00-2(1)","3513","High Reliability"]
[2678,"OCCOC(=O)C=C\n\n\n","OCCOC(=O)C=C","O=C(OCCO)C=C","",1,"2-HYDROXYETHYL ACRYLATE(1)","818-61-1(1)","2696","High Reliability"]
[2679,"COC(=O)CC(C)=O\n\n\n","COC(=O)CC(=O)C","O=C(OC)CC(=O)C","",1,"METHYL ACETOACETATE(1)","105-45-3(1)","971","High Reliability"]
[2680,"CCC(C(O)=O)C(O)=O\n\n\n","CCC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)CC","",1,"ETHYLMALONIC ACID(1)","601-75-2(1)","2365","High Reliability"]
[2681,"CC(CC(O)=O)C(O)=O\n\n\n","OC(=O)CC(C(=O)O)C","O=C(O)CC(C(=O)O)C","",2,"METHYLSUCCINIC ACID(1), Butanedioic acid, methyl-, (R)-(1)","498-21-5(1), 3641-51-8(1)","1901, 3406","High Reliability","Stereochemistry removed"]
[2682,"CC(C)(C(O)=O)C(O)=O\n\n\n","OC(=O)C(C(=O)O)(C)C","O=C(O)C(C(=O)O)(C)C","",1,"DIMETHYLMALONIC ACID(1)","595-46-0(1)","2333","High Reliability"]
[2683,"OC(=O)CCCC(O)=O\n\n\n","OC(=O)CCCC(=O)O","O=C(O)CCCC(=O)O","",1,"PENTANEDIOC ACID(1)","110-94-1(1)","1199","Medium Reliability"]
[2684,"CC(C)C(Br)C(O)=O\n\n\n","BrC(C(=O)O)C(C)C","O=C(O)C(C(C)C)Br","",1,"2-BROMO-3-METHYL-BUTANOIC ACID(1)","565-74-2(1)","2195","High Reliability"]
[2685,"CCN1CC(=O)N=C1N\n\n\n","CCN1CC(=O)N=C1N","O=C1N=C(N)N(C1)CC","",1,"4H-Imidazol-4-one, 2-amino-1-ethyl-1,5-dihydro-(1)","76146-27-5(1)","5219","High Reliability"]
[2686,"OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O\n\n\n","OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]","",1,"Pentrinitrol(1)","1607-17-6(1)","2941","High Reliability"]
[2687,"OC(=N)CC(NC(O)=N)C(O)=O\n\n\n","OC(=N)CC(C(=O)O)NC(=N)O","O=C(O)C(NC(=N)O)CC(=N)O","",1,"L-Asparagine, N2-(aminocarbonyl)-(1)","3130-86-7(1)","3332","Medium Reliability","Stereochemistry removed"]
[2688,"NC(=O)NCC(=O)NCC(O)=O\n\n\n","O=C(CNC(=O)N)NCC(=O)O","O=C(N)NCC(=O)NCC(=O)O","",1,"Glycine, N-[N-(aminocarbonyl)glycyl]-(1)","17303-54-7(1)","4149","Medium Reliability","Checked on PubChem"]
[2689,"CC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O\nCC(CO)(CO)CO.O[N+]([O-])=O.O[N+]([O-])=O.O[N+]([O-])=O\n\n","CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(C)(CO[N+](=O)[O-])CO[N+](=O)[O-]","",1,"trimethylolethanetrinitrate(1)","3032-55-1(1)","3316","High Reliability","Name verified in PubChem"]
[2690,"CCNc1ncnc(N)n1\n\n\n","CCNc1ncnc(n1)N","n1cnc(nc1N)NCC","",1,"1,3,5-Triazine-2,4-diamine, N-ethyl-(1)","30368-49-1(1)","4502","Medium Reliability","Checked on PubChem"]
[2691,"CNc1ncnc(NC)n1\n\n\n","CNc1ncnc(n1)NC","n1cnc(nc1NC)NC","",1,"1,3,5-Triazine-2,4-diamine, N,N'-dimethyl-(1)","30368-50-4(1)","4503","Medium Reliability","Checked on PubChem"]
[2692,"CC(C)C(O)C#N\n\n\n","OC(C(C)C)C#N","N#CC(O)C(C)C","",1,"Butanenitrile, 2-hydroxy-3-methyl-, (R)-(1)","10021-64-4(1)","3894","Medium Reliability","Stereochemistry removed"]
[2693,"CN1CCCC1=O\n\n\n","O=C1CCCN1C","O=C1N(C)CCC1","",1,"N-METHYLPYRROLIDONE(1)","872-50-4(1)","2724","High Reliability"]
[2694,"CCC(=O)NC(C)=O\n\n\n","CCC(=O)NC(=O)C","O=C(NC(=O)CC)C","",1,"Propanamide, N-acetyl-(1)","19264-34-7(1)","4220","Medium Reliability"]
[2695,"OC(=O)C1CCCN1\n\n\n","OC(=O)C1CCCN1","O=C(O)C1NCCC1","",1,"PROLINE(1)","147-85-3(1)","1612","High Reliability","Stereochemistry removed"]
[2696,"CS(=O)(=O)CCCN=C=S\n\n\n","S=C=NCCCS(=O)(=O)C","O=S(=O)(C)CCCN=C=S","",1,"Propane, 1-isothiocyanato-3-(methylsulfonyl)-(1)","505-34-0(1)","1930","High Reliability"]
[2697,"CCSC(=S)NCC(O)=O\n\n\n","CCSC(=S)NCC(=O)O","O=C(O)CNC(=S)SCC","",1,"Glycine, N-[(ethylthio)thioxomethyl]-(1)","4596-56-9(1)","3514","Medium Reliability"]
[2698,"CCC(N=CO)C(O)=O\nCCC(NC=O)C(O)=O\n\n","CCC(C(=O)O)N=CO","O=C(O)C(N=CO)CC","",1,"Butanoic acid, 2-(formylamino)-(1)","106873-99-8(1)","5530","Medium Reliability"]
[2699,"OC1CNC(C1)C(O)=O\n\n\n","OC1CNC(C1)C(=O)O","O=C(O)C1NCC(O)C1","",1,"HYDROXYPROLINE(1)","51-35-4(1)","44","Medium Reliability","Stereochemistry removed"]
[2700,"CNC(CC(O)=O)C(O)=O\n\n\n","CNC(C(=O)O)CC(=O)O","O=C(O)CC(NC)C(=O)O","",1,"L-Aspartic acid, N-methyl-(1)","4226-18-0(1)","3473","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2701,"NC(CCC(O)=O)C(O)=O\nCl.NC(CCC(O)=O)C(O)=O\n[H+].[Cl-].NC(CCC(O)=O)C(O)=O\n[Na+].NC(CCC(O)=O)C([O-])=O","OC(=O)CCC(C(=O)O)N","O=C(O)CCC(N)C(=O)O","",6,"GLUTAMIC ACID(1), GLUTAMIC ACID HYDROCHLORIDE(1), MONOSODIUM L-GLUTAMATE(1), GLUTAMIC ACID (DL)(1), D-Glutamic acid(1), Glutamic acid(1)","56-86-0(1), 138-15-8(1), 142-47-2(1), 617-65-2(1), 6893-26-1(1), 6899-05-4(1)","111, 1536, 1582, 2458, 3790, 3792","Medium Reliability, High Reliability","Differences in counterions, Stereochemistry removed"]
[2702,"OC(=O)CCNCC(O)=O\n\n\n","OC(=O)CNCCC(=O)O","O=C(O)CNCCC(=O)O","",1,".beta.-Alanine, N-(carboxymethyl)-(1)","505-72-6(1)","1935","Medium Reliability","Checked on PubChem"]
[2703,"OC(=O)c1c(Cl)c(Cl)c(Cl)o1\n\n\n","OC(=O)c1oc(c(c1Cl)Cl)Cl","O=C(O)c1oc(c(c1Cl)Cl)Cl","",1,"2-Furoic acid, 3,4,5-trichloro-(1)","32417-81-5(1)","4531","Medium Reliability"]
[2704,"Brc1c(Br)c(Br)c(Br)c(Br)c1Br\n\n\n","Brc1c(Br)c(Br)c(c(c1Br)Br)Br","c1(c(c(c(c(c1Br)Br)Br)Br)Br)Br","",1,"HEXABROMOBENZENE(1)","87-82-1(1)","599","High Reliability"]
[2705,"ClC1=C(Cl)C(=O)C(Cl)=C(Cl)C1=O\n\n\n","ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl","O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl","",1,"CHLORANIL(1)","118-75-2(1)","1324","High Reliability"]
[2706,"[O-][N+](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl\n\n\n","Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","",1,"PENTACHLORONITROBENZENE(1)","82-68-8(1)","516","High Reliability"]
[2707,"Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl\n\n\n","Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl","c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl","",1,"HEXACHLOROBENZENE(1)","118-74-1(1)","1323","High Reliability"]
[2708,"C1CCC=CC1\n\n\n","C1CCC=CC1","C1=CCCCC1","",1,"CYCLOHEXENE(1)","110-83-8(1)","1193","High Reliability"]
[2709,"C=CCCC=C\nCCCCC#C\nCCC#CCC\n","CCCCC#C","C#CCCCC","",4,"1,5-HEXADIENE(1), 1-HEXYNE(1), 3-Hexyne(1), HEXYNE(1)","592-42-7(1), 693-02-7(1), 928-49-4(1), 26856-30-4(1)","2314, 2635, 2752, 4432","High Reliability","Checked on PubChem, Checked on ChemID"]
[2710,"CC(=C)C(C)=C\n\n\n","CC(=C)C(=C)C","C=C(C(=C)C)C","",1,"2,3-DIMETHYL-1,3-BUTADIENE(1)","513-81-5(1)","1962","High Reliability"]
[2711,"CC(C)Nc1nc(Cl)nc(N)n1\n\n\n","CC(Nc1nc(N)nc(n1)Cl)C","n1c(nc(nc1NC(C)C)Cl)N","",1,"DESETHYLATRAZINE(1)","6190-65-4(1)","3712","High Reliability"]
[2712,"CC1NC(=O)C(C)NC1=O\n\n\n","CC1NC(=O)C(NC1=O)C","O=C1NC(C(=O)NC1C)C","",1,"3,6-dimethylpiperazine-2,5-dione(1)","5625-46-7(1)","3641","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2713,"CC1(C)N(CO)C(=O)NC1=O\n\n\n","OCN1C(=O)NC(=O)C1(C)C","O=C1NC(=O)C(N1CO)(C)C","",1,"1-(Hydroxymethyl)-5,5-dimethylhydantoin(1)","116-25-6(1)","1299","High Reliability"]
[2714,"OCN1CC(=O)N(CO)CC1=O\n\n\n","OCN1CC(=O)N(CC1=O)CO","O=C1N(CO)CC(=O)N(CO)C1","",1,"2,5-Piperazinedione, 1,4-bis(hydroxymethyl)-(1)","7383-56-4(1)","3835","High Reliability"]
[2715,"CCC#CC(C)O\n\n\n","CCC#CC(O)C","OC(C#CCC)C","",1,"3-HEXYN-2-OL(1)","109-50-2(1)","1128","High Reliability"]
[2716,"CCCC(O)C#C\n\n\n","CCCC(C#C)O","C#CC(O)CCC","",1,"1-HEXYN-3-OL(1)","105-31-7(1)","967","High Reliability"]
[2717,"C=CCOCC=C\n\n\n","C=CCOCC=C","O(CC=C)CC=C","",1,"ALLYL ETHER(1)","557-40-4(1)","2167","High Reliability"]
[2718,"CCC(C)(O)C#C\nCCC(C)C#CO\n\n","CC(C#C)(CC)O","C#CC(O)(C)CC","",1,"methylpentynol(1)","77-75-8(1)","422","High Reliability","Name verified in PubChem"]
[2719,"CC(C)=CC(C)=O\n\n\n","CC(=CC(=O)C)C","O=C(C=C(C)C)C","",1,"MESITYL OXIDE(1)","141-79-7(1)","1571","High Reliability"]
[2720,"O=C1CCCCC1\n\n\n","O=C1CCCCC1","O=C1CCCCC1","",1,"CYCLOHEXANONE(1)","108-94-1(1)","1113","High Reliability"]
[2721,"CCC1C(C)OC1=O\n\n\n","CCC1C(C)OC1=O","O=C1OC(C)C1CC","",1,"2-Oxetanone, 3-ethyl-4-methyl-, (3S-trans)-(1)","114592-79-9(1)","5581","Medium Reliability","Stereochemistry removed"]
[2722,"CC(C)=C(C)C(O)=O\n\n\n","CC(=C(C(=O)O)C)C","O=C(O)C(=C(C)C)C","",1,"2-Butenoic acid, 2,3-dimethyl-(1)","4411-97-6(1)","3492","Medium Reliability"]
[2723,"CCOC(=O)C(C)=C\n\n\n","CCOC(=O)C(=C)C","O=C(OCC)C(=C)C","",1,"ETHYL METHACRYLATE(1)","97-63-2(1)","799","High Reliability"]
[2724,"SC(=O)CCCCC(S)=O\n\n\n","SC(=O)CCCCC(=O)S","O=C(CCCCC(=O)S)S","",1,"Hexanebis(thioic) acid(1)","10604-70-3(1)","3930","High Reliability"]
[2725,"CCOC(=S)SSC(=S)OCC\n\n\n","CCOC(=S)SSC(=S)OCC","O(C(=S)SSC(OCC)=S)CC","",1,"BIS(ETHYLXANTHOGEN)(1)","502-55-6(1)","1921","High Reliability"]
[2726,"CCOC(=O)C(O)C=C\n\n\n","CCOC(=O)C(C=C)O","O=C(OCC)C(O)C=C","",1,"2-Hydroxy-but-3-enoic acid ethyl ester(1)","91890-87-8(1)","5370","Medium Reliability"]
[2727,"CC(O)COC(=O)C=C\n\n\n","CC(COC(=O)C=C)O","O=C(OCC(O)C)C=C","",1,"2-HYDROXYPROPYL ACRYLATE(1)","999-61-1(1)","2789","High Reliability"]
[2728,"CCOC(C)C(=O)C=O\n\n\n","CC(C(=O)C=O)OCC","O=CC(=O)C(OCC)C","",1,"Butanal, 3-ethoxy-2-oxo-(1)","3688-37-7(1)","3412","High Reliability","Checked on PubChem, Checked on ChemID"]
[2729,"CCOC(=O)CC(C)=O\n\n\n","CCOC(=O)CC(=O)C","O=C(OCC)CC(=O)C","",1,"ACETOACETIC ESTER(1)","141-97-9(1)","1576","High Reliability"]
[2730,"CC(=C)C(=O)OCCO\n\n\n","CC(=C)C(=O)OCCO","O=C(OCCO)C(=C)C","",1,"2-HYDROXYETHYL METHACRYLATE(1)","868-77-9(1)","2720","High Reliability"]
[2731,"CCCC(C(O)=O)C(O)=O\n\n\n","CCCC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)CCC","",1,"PROPYLPROPANEDIOIC ACID(1)","616-62-6(1)","2448","High Reliability"]
[2732,"CC(C(C)C(O)=O)C(O)=O\n\n\n","CC(C(C(=O)O)C)C(=O)O","O=C(O)C(C)C(C(=O)O)C","",1,"BUTANEDIOIC ACID, 2,3-DIMETHYL-, (R*,S*)-(1)","608-40-2(1)","2394","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2733,"CCC(=O)OOC(=O)CC\n\n\n","CCC(=O)OOC(=O)CC","O=C(OOC(=O)CC)CC","",1,"Peroxide, bis(1-oxopropyl)(1)","3248-28-0(1)","3358","High Reliability"]
[2734,"CCOC(=O)C(=O)OCC\nCCOC(=O)C([O-])=O\n\n","CCOC(=O)C(=O)OCC","O=C(OCC)C(=O)OCC","",1,"ethyloxalate(1)","95-92-1(1)","760","High Reliability","Name verified in PubChem"]
[2735,"COC(=O)C(C)OC(C)=O\n\n\n","COC(=O)C(OC(=O)C)C","O=C(OC(C(=O)OC)C)C","",1,"Propanoic acid, 2-(acetyloxy)-, methyl ester(1)","6284-75-9(1)","3730","High Reliability"]
[2736,"CC(=O)OCCOC(C)=O\nCC(O)=O.CC(O)=O.OCCO\n\n","CC(=O)OCCOC(=O)C","O=C(OCCOC(=O)C)C","",1,"ethyleneglycoldiacetate(1)","111-55-7(1)","1223","High Reliability","Name verified in PubChem"]
[2737,"CC(C)(CC(O)=O)C(O)=O\n\n\n","OC(=O)CC(C(=O)O)(C)C","O=C(O)CC(C(=O)O)(C)C","",1,"Butanedioic acid, 2,2-dimethyl-(1)","597-43-3(1)","2338","High Reliability"]
[2738,"COC(=O)CCC(=O)OC\n\n\n","COC(=O)CCC(=O)OC","O=C(OC)CCC(=O)OC","",1,"DIMETHYL SUCCINATE(1)","106-65-0(1)","1009","High Reliability"]
[2739,"OC(=O)CCCCC(O)=O\n\n\n","OC(=O)CCCCC(=O)O","O=C(O)CCCCC(=O)O","",1,"HEXANEDIOIC ACID(1)","124-04-9(1)","1436","High Reliability"]
[2740,"OC(=O)CCSCCC(O)=O\n\n\n","OC(=O)CCSCCC(=O)O","O=C(O)CCSCCC(=O)O","",1,"Propanoic acid, 3,3'-thiobis-(1)","111-17-1(1)","1208","High Reliability"]
[2741,"CC1=C(C)S(=O)(=O)CCS1(=O)=O\n\n\n","CC1=C(C)S(=O)(=O)CCS1(=O)=O","O=S1(=O)(C(=C(C)S(=O)(=O)CC1)C)","",1,"DIMETHIPIN(1)","55290-64-7(1)","4907","High Reliability"]
[2742,"OC(=O)CCSSCCC(O)=O\n\n\n","OC(=O)CCSSCCC(=O)O","O=C(O)CCSSCCC(=O)O","",1,"4,5-Dithia-octandioic acid(1)","1119-62-6(1)","2835","Medium Reliability"]
[2743,"OC(=O)C(S)CCC(S)C(O)=O\n\n\n","SC(C(=O)O)CCC(C(=O)O)S","O=C(O)C(CCC(C(=O)O)S)S","",1,"Hexanedioic acid, 2,5-dimercapto-(1)","5139-01-5(1)","3566","High Reliability"]
[2744,"OCC1OC(=O)C(O)C(O)C1O\n\n\n","OCC1OC(=O)C(C(C1O)O)O","O=C1OC(CO)C(O)C(O)C1(O)","",1,"D-Gluconic acid, .delta.-lactone(1)","90-80-2(1)","659","High Reliability","Stereochemistry removed"]
[2745,"OC(C(O)C(O)C(O)=O)C(O)C(O)=O\n\n\n","OC(C(C(=O)O)O)C(C(C(=O)O)O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","",1,"Galactaric acid(1)","526-99-8(1)","1995","High Reliability","Stereochemistry removed"]
[2746,"C=CCSS(=O)CC=C\n\n\n","C=CCSS(=O)CC=C","O=S(CC=C)SCC=C","",1,"Allicin(1)","539-86-6(1)","2061","High Reliability"]
[2747,"BrC1CCCCC1\n\n\n","BrC1CCCCC1","C1CCC(CC1)Br","",1,"BROMOCYCLOHEXANE(1)","108-85-0(1)","1105","High Reliability"]
[2748,"CCCC(Br)C(O)=NC(O)=N\nCCCC(Br)C(=O)NC(N)=O\n\n","CCCC(C(=NC(=N)O)O)Br","N=C(O)N=C(O)C(CCC)Br","",1,"Pentanamide, N-(aminocarbonyl)-2-bromo-(1)","66947-87-3(1)","5069","Medium Reliability"]
[2749,"ClC1CCCCC1\n\n\n","ClC1CCCCC1","C1CCC(CC1)Cl","",1,"CHLOROCYCLOHEXANE(1)","542-18-7(1)","2089","High Reliability"]
[2750,"CCOC(OCC)C(Cl)(Cl)Cl\n\n\n","CCOC(C(Cl)(Cl)Cl)OCC","O(CC)C(OCC)C(Cl)(Cl)Cl","",1,"ETHANE, 1,1,1-TRICHLORO-2,2-DIETHOXY-(1)","599-97-3(1)","2360","High Reliability"]
[2751,"CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl\n\n\n","CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC","O(CC)P(OCC)(OC(C(Cl)(Cl)Cl)Cl)=S","",1,"CHLORETHOXYFOS(1)","54593-83-8(1)","4893","High Reliability"]
[2752,"C=CCNCC=C\n\n\n","C=CCNCC=C","C=CCNCC=C","",1,"DIALLYLAMINE(1)","124-02-7(1)","1435","High Reliability"]
[2753,"CN1CCC=C1C\n\n\n","CC1=CCCN1C","C1=C(N(C)CC1)C","",1,"1H-PYRROLE, 2,3-DIHYDRO-1,5-DIMETHYL-(1)","5370-57-0(1)","3595","Medium Reliability"]
[2754,"COc1nn(CSP(=S)(OC)OC)c(=O)s1\n\n\n","COc1sc(=O)n(n1)CSP(=S)(OC)OC","O=C1N(N=C(OC)S1)CSP(OC)(OC)=S","",1,"METHIDATHION(1)","950-37-8(1)","2771","High Reliability"]
[2755,"NCC(=O)NCC(=O)NCC(O)=O\n\n\n","NCC(=O)NCC(=O)NCC(=O)O","O=C(O)CNC(=O)CNC(=O)CN","",1,"TRIGLYCINE(1)","556-33-2(1)","2155","Medium Reliability"]
[2756,"NC(=O)CC(O)(CC(N)=O)C(N)=O\n\n\n","NC(=O)C(CC(=O)N)(CC(=O)N)O","O=C(N)CC(O)(C(=O)N)CC(=O)N","",1,"1,2,3-Propanetricarboxamide, 2-hydroxy-(1)","597-59-1(1)","2340","High Reliability"]
[2757,"NNP(=S)(NN)c1ccccc1\n\n\n","NNP(=S)(c1ccccc1)NN","NNP(NN)(c1ccccc1)=S","",1,"phosphonothioicdihydrazide,p-phenyl-(1)","5395-21-1(1)","3598","Medium Reliability","Name verified in PubChem"]
[2758,"CCCc1nc(N)nc(N)n1\n\n\n","CCCc1nc(N)nc(n1)N","n1c(nc(nc1N)CCC)N","",1,"2,4-DIAMINO-6-PROPYL-S-TRIAZINE(1)","5962-23-2(1)","3683","Medium Reliability"]
[2759,"CC(C)c1nc(N)nc(N)n1\n\n\n","CC(c1nc(N)nc(n1)N)C","n1c(nc(nc1N)C(C)C)N","",1,"2,4-DIAMINO-6-ISOPRPYL-S-TRIAZINE(1)","5397-04-6(1)","3599","Medium Reliability"]
[2760,"O=C1CCCCCN1\n\n\n","O=C1CCCCCN1","O=C1NCCCCC1","",1,"CAPROLACTAM(1)","105-60-2(1)","980","High Reliability"]
[2761,"ON=C1CCCCC1\n\n\n","ON=C1CCCCC1","ON=C1CCCCC1","",1,"CYCLOHEXANONE OXIME(1)","100-64-1(1)","890","High Reliability"]
[2762,"CCC(=O)NC(=O)CC\n\n\n","CCC(=O)NC(=O)CC","O=C(NC(=O)CC)CC","",1,"Propanamide, N-(1-oxopropyl)-(1)","6050-26-6(1)","3694","High Reliability"]
[2763,"NC1(CCCC1)C(O)=O\n\n\n","OC(=O)C1(N)CCCC1","O=C(O)C1(N)(CCCC1)","",1,"CYCLOLEUCINE(1)","52-52-8(1)","63","High Reliability"]
[2764,"CCSC(=S)NC(C)C(O)=O\n\n\n","CC(C(=O)O)NC(=S)SCC","O=C(O)C(NC(=S)SCC)C","",1,"L-Alanine, N-[(ethylthio)thioxomethyl]-(1)","34101-08-1(1)","4578","Medium Reliability","Stereochemistry removed"]
[2765,"NC(CCCC(O)=O)C(O)=O\n\n\n","OC(=O)CCCC(C(=O)O)N","O=C(O)CCCC(N)C(=O)O","",1,"Hexanedioic acid, 2-amino-(1)","542-32-5(1)","2090","High Reliability"]
[2766,"C1CCCCC1\n\n\n","C1CCCCC1","C1CCCCC1","",1,"CYCLOHEXANE(1)","110-82-7(1)","1192","High Reliability"]
[2767,"CCCCC=C\n\n\n","CCCCC=C","C=CCCCC","",1,"1-HEXENE(1)","592-41-6(1)","2313","High Reliability"]
[2768,"CC(C)CC=C\n\n\n","C=CCC(C)C","C=CCC(C)C","",1,"4-METHYL-1-PENTENE(1)","691-37-2(1)","2634","High Reliability"]
[2769,"CC1CCCC1\n\n\n","CC1CCCC1","CC1CCCC1","",1,"METHYLCYCLOPENTANE(1)","96-37-7(1)","776","High Reliability"]
[2770,"CCC(Br)(CC)C(N)=O\n\n\n","CCC(C(=O)N)(CC)Br","O=C(N)C(CC)(CC)Br","",1,"Butanamide, 2-bromo-2-ethyl-(1)","511-70-6(1)","1950","High Reliability"]
[2771,"ClCCOCCOCCCl\n\n\n","ClCCOCCOCCCl","O(CCOCCCl)CCCl","",1,"1,2-BIS(2-CHLOROETHOXY)ETHANE(1)","112-26-5(1)","1246","High Reliability"]
[2772,"OC(CCl)C(O)C(O)C(O)CCl\n\n\n","ClCC(C(C(C(CCl)O)O)O)O","OC(CCl)C(O)C(O)C(O)CCl","",1,"D-Mannitol, 1,6-dichloro-1,6-dideoxy-(1)","7251-85-6(1)","3823","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2773,"ClCCS(=O)(=O)CCS(=O)(=O)CCCl\n\n\n","ClCCS(=O)(=O)CCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCS(=O)(=O)CCCl","",1,"1,2-BIS(2-CHLOROETHYLSULFONYL)ETHANE(1)","3944-87-4(1)","3447","High Reliability"]
[2774,"ClCCN(CCCl)CCCl\n[H+].[Cl-].ClCCN(CCCl)CCCl\n\n","ClCCN(CCCl)CCCl","N(CCCl)(CCCl)CCCl","",1,"TRIS(BETA-CHLOROETHYL)AMINE(1)","555-77-1(1)","2150","High Reliability","Differences in counterions"]
[2775,"ClCCOP(=O)(OCCCl)OCCCl\n\n\n","ClCCOP(=O)(OCCCl)OCCCl","O=P(OCCCl)(OCCCl)OCCCl","",1,"TRI-2-CHLOROETHYL PHOSPHATE(1)","115-96-8(1)","1293","Medium Reliability"]
[2776,"CCN(CC)C(=O)CCl\n\n\n","CCN(C(=O)CCl)CC","O=C(N(CC)CC)CCl","",1,"CDEA(1)","2315-36-8(1)","3169","Medium Reliability"]
[2777,"CCOP(=O)(OCC)OC=CCl\n\n\n","CCOP(=O)(OC=CCl)OCC","O=P(OC=CCl)(OCC)OCC","",1,"2-CHLOROVINYL DIETHYL PHOSPHATE(1)","311-47-7(1)","1718","High Reliability","Stereochemistry removed"]
[2778,"C1CN2CCN1CC2\n\n\n","C1CN2CCN1CC2","N12(CCN(CC1)CC2)","",1,"1,4-DIAZABICYCLO(2,2,2)OCTANE  (DABCO)(1)","280-57-9(1)","1676","Medium Reliability"]
[2779,"O=NN1CCCCCC1\n\n\n","O=NN1CCCCCC1","O=NN1CCCCCC1","",1,"N-NITROSOHEXAMETHYLENEIMINE(1)","932-83-2(1)","2754","High Reliability"]
[2780,"CCC(=NO)C(CC)=NO\nCCC(NO)=C(CC)N=O\n\n","CCC(=NO)C(=NO)CC","ON=C(C(=NO)CC)CC","",1,"3,4-Hexanedione, dioxime(1)","4437-52-9(1)","3498","High Reliability","Stereochemistry removed"]
[2781,"CC(=O)NCCNC(C)=O\n\n\n","CC(=O)NCCNC(=O)C","O=C(NCCNC(=O)C)C","",1,"Acetamide, N,N'-1,2-ethanediylbis-(1)","871-78-3(1)","2722","High Reliability"]
[2782,"CC1CN(CC(C)O1)N=O\n\n\n","CC1OC(C)CN(C1)N=O","O=NN1CC(OC(C)C1)C","",1,"2,6-DIMETHYL-N-NITROSOMORPHOLINE(1)","1456-28-6(1)","2906","High Reliability"]
[2783,"NC(=O)CCCCC(N)=O\n\n\n","NC(=O)CCCCC(=O)N","O=C(N)CCCCC(=O)N","",1,"HEXANEDIAMIDE(1)","628-94-4(1)","2559","High Reliability"]
[2784,"CC(SC(C)C(N)=O)C(N)=O\n\n\n","CC(C(=O)N)SC(C(=O)N)C","O=C(N)C(C)SC(C(=O)N)C","",1,"Propanamide, 2,2'-thiobis-(1)","6944-30-5(1)","3801","High Reliability"]
[2785,"CC(OC(C)C(N)=O)C(N)=O\n\n\n","CC(C(=O)N)OC(C(=O)N)C","O=C(N)C(OC(C(=O)N)C)C","",1,"Propanamide, 2,2'-oxybis-(1)","5460-66-2(1)","3618","High Reliability"]
[2786,"CN(C)NC(=O)CCC(O)=O\n\n\n","CN(NC(=O)CCC(=O)O)C","O=C(O)CCC(=O)NN(C)C","",1,"DAMINOZIDE(1)","1596-84-5(1)","2939","High Reliability"]
[2787,"OCCNC(=O)C(=O)NCCO\n\n\n","OCCNC(=O)C(=O)NCCO","O=C(NCCO)C(=O)NCCO","",1,"Ethanediamide, N,N'-bis(2-hydroxyethyl)-(1)","1871-89-2(1)","3007","Medium Reliability"]
[2788,"NC(CSSCC(N)C(O)=O)C(O)=O\n\n\n","NC(C(=O)O)CSSCC(C(=O)O)N","O=C(O)C(N)CSSCC(N)C(=O)O","",1,"CYSTINE(1)","56-89-3(1)","113","Medium Reliability","Stereochemistry removed"]
[2789,"NC(CO)C(=O)NC(CO)C(O)=O\n\n\n","OCC(C(=O)NC(C(=O)O)CO)N","O=C(O)C(NC(=O)C(N)CO)CO","",1,"L-Serine, N-L-seryl-(1)","6620-95-7(1)","3769","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2790,"[O-][N+](=O)OCCOCCOCCO[N+]([O-])=O\nOCCOCCOCCO.O[N+]([O-])=O.O[N+]([O-])=O\n\n","[O-][N+](=O)OCCOCCOCCO[N+](=O)[O-]","O=[N+]([O-])OCCOCCOCCO[N+](=O)[O-]","",1,"triethyleneglycol,dinitrate(1)","111-22-8(1)","1210","Medium Reliability","Name verified in PubChem"]
[2791,"S=P(N1CC1)(N2CC2)N3CC3\n\n\n","S=P(N1CC1)(N1CC1)N1CC1","N1(CC1)P(N2CC2)(N3CC3)=S","",1,"THIOTEPA(1)","52-24-4(1)","58","High Reliability"]
[2792,"C1N2CN3CN1CN(C2)C3\n\n\n","C1N2CN3CN1CN(C2)C3","N12(CN3CN(C1)CN(C2)C3)","",1,"HEXAMETHYLENETETRAMINE(1)","100-97-0(1)","902","High Reliability"]
[2793,"COP(=S)(OC)SCc1nc(N)nc(N)n1\n\n\n","COP(=S)(SCc1nc(N)nc(n1)N)OC","n1c(nc(nc1N)CSP(OC)(OC)=S)N","",1,"MENAZON(1)","78-57-9(1)","439","High Reliability"]
[2794,"CCOP(=O)(OCC)N=C1SCS1\n\n\n","CCOP(=O)(N=C1SCS1)OCC","O=P(N=C1SCS1)(OCC)OCC","",1,"FOSTHIETAN(1)","21548-32-3(1)","4295","High Reliability"]
[2795,"COP(=S)(OC)SCC(=O)N(C)C=O\n\n\n","COP(=S)(SCC(=O)N(C=O)C)OC","O=CN(C(=O)CSP(OC)(OC)=S)C","",1,"FORMOTHION(1)","2540-82-1(1)","3233","High Reliability"]
[2796,"CCCCCC=O\n\n\n","CCCCCC=O","O=CCCCCC","",1,"HEXANAL(1)","66-25-1(1)","243","High Reliability"]
[2797,"CCCCC(C)=O\n\n\n","CCCCC(=O)C","O=C(C)CCCC","",1,"2-HEXANONE(1)","591-78-6(1)","2307","High Reliability"]
[2798,"CCCC(C)C=O\n\n\n","CC(C=O)CCC","O=CC(C)CCC","",1,"2-METHYLPENTALDEHYDE(1)","123-15-9(1)","1406","High Reliability"]
[2799,"CCCC(=O)CC\nCCCC(O)C=C\nCCC(O)C=CC\n","CCCC(=O)CC","O=C(CC)CCC","",3,"3-HEXANONE(1), 1-HEXEN-3-OL(1), 2-HEXENE-4-OL(1)","589-38-8(1), 4798-44-1(1), 4798-58-7(1)","2273, 3539, 3541","High Reliability","Stereochemistry removed"]
[2800,"CCCCOC=C\n\n\n","CCCCOC=C","O(C=C)CCCC","",1,"BUTYL VINYL ETHER(1)","111-34-2(1)","1214","High Reliability"]
[2801,"CCC(C)C(C)=O\n\n\n","CCC(C(=O)C)C","O=C(C)C(C)CC","",1,"3-METHYLPENTAN-2-ONE(1)","565-61-7(1)","2191","High Reliability"]
[2802,"CCC(=O)C(C)C\nCC(C)C(O)C=C\n\n","CCC(=O)C(C)C","O=C(CC)C(C)C","",2,"2-METHYL-3-PENTANONE(1), 4-METHYL-1-PENTEN-3-OL(1)","565-69-5(1), 4798-45-2(1)","2193, 3540","High Reliability"]
[2803,"CC(C)COC=C\n\n\n","C=COCC(C)C","O(C=C)CC(C)C","",1,"ISOBUTYL VINYL ETHER(1)","109-53-5(1)","1130","High Reliability"]
[2804,"CC(C)CC(C)=O\n\n\n","CC(CC(=O)C)C","O=C(C)CC(C)C","",1,"4-METHYL-2-PENTANONE(1)","108-10-1(1)","1068","High Reliability"]
[2805,"CC(=C)C(C)(C)O\n\n\n","CC(=C)C(O)(C)C","OC(C(=C)C)(C)C","",1,"3-Buten-2-ol, 2,3-dimethyl-(1)","10473-13-9(1)","3925","High Reliability"]
[2806,"CC(=O)C(C)(C)C\n\n\n","CC(=O)C(C)(C)C","O=C(C)C(C)(C)C","",1,"3,3-DIMETHYL-2-BUTANONE(1)","75-97-8(1)","376","High Reliability"]
[2807,"CC1CCC(C)O1\n\n\n","CC1CCC(O1)C","O1C(C)CCC1C","",1,"2,5-Dimethyltetrahydrofuran(1)","1003-38-9(1)","2792","High Reliability"]
[2808,"OC1CCCCC1\n\n\n","OC1CCCCC1","OC1CCCCC1","",1,"CYCLOHEXANOL(1)","108-93-0(1)","1112","High Reliability"]
[2809,"CCCCCC(O)=O\n\n\n","CCCCCC(=O)O","O=C(O)CCCCC","",1,"HEXANOIC ACID(1)","142-62-1(1)","1584","High Reliability"]
[2810,"CCC1CCC(O)O1\n\n\n","CCC1CCC(O1)O","OC1OC(CC)CC1","",1,"2-FURANOL, 5-ETHYLTETRAHYDRO-(1)","30414-44-9(1)","4504","Medium Reliability"]
[2811,"CCCC(C)C(O)=O\n\n\n","CC(C(=O)O)CCC","O=C(O)C(C)CCC","",1,"PENTANOIC ACID, 2-METHYL-(1)","97-61-0(1)","798","High Reliability"]
[2812,"CCCCC(=O)OC\n\n\n","CCCCC(=O)OC","O=C(OC)CCCC","",1,"METHYL VALERATE(1)","624-24-8(1)","2503","High Reliability"]
[2813,"CCCCOC(C)=O\n\n\n","CCCCOC(=O)C","O=C(OCCCC)C","",1,"N-BUTYL ACETATE(1)","123-86-4(1)","1428","High Reliability"]
[2814,"CCC(CC)C(O)=O\n\n\n","CCC(C(=O)O)CC","O=C(O)C(CC)CC","",1,"2-ETHYLBUTYRIC ACID(1)","88-09-5(1)","608","High Reliability"]
[2815,"CCCC(=O)OCC\n\n\n","CCCC(=O)OCC","O=C(OCC)CCC","",1,"ETHYLBUTYRATE(1)","105-54-4(1)","974","High Reliability"]
[2816,"CCCOC(=O)CC\n\n\n","CCCOC(=O)CC","O=C(OCCC)CC","",1,"N-PROPYLPROPIONATE(1)","106-36-5(1)","992","Medium Reliability"]
[2817,"CCC(C)OC(C)=O\n\n\n","CCC(OC(=O)C)C","O=C(OC(C)CC)C","",1,"S-BUTYLACETATE(1)","105-46-4(1)","972","Medium Reliability"]
[2818,"CCC(=O)OC(C)C\n\n\n","CCC(=O)OC(C)C","O=C(OC(C)C)CC","",1,"ISOPROPYL PROPIONATE(1)","637-78-5(1)","2598","High Reliability"]
[2819,"CC(C)C1OCCO1\n\n\n","CC(C1OCCO1)C","O1CCOC1C(C)C","",1,"1,3-DIOXOLANE, 2-(1-METHYLETHYL)-(1)","822-83-3(1)","2702","High Reliability"]
[2820,"CC(=O)CC(C)(C)O\n\n\n","CC(=O)CC(O)(C)C","O=C(C)CC(O)(C)C","",1,"4-HYDROXY-4-METHYL-2-PENTANONE(1)","123-42-2(1)","1417","High Reliability"]
[2821,"CC(=O)OC(C)(C)C\n\n\n","CC(=O)OC(C)(C)C","O=C(OC(C)(C)C)C","",1,"T-BUTYL ACETATE(1)","540-88-5(1)","2074","High Reliability"]
[2822,"CC1COC(C)(C)O1\n\n\n","CC1COC(O1)(C)C","O1CC(OC1(C)C)C","",1,"1,3-DIOXOLANE, 2,2,4-TRIMETHYL-(1)","1193-11-9(1)","2865","High Reliability","Checked on PubChem, Checked on ChemID"]
[2823,"CC(C)CCOC=O\n\n\n","O=COCCC(C)C","O=COCCC(C)C","",1,"ISOAMYL FORMATE(1)","110-45-2(1)","1173","High Reliability"]
[2824,"CC(O)CCCC=O\n\n\n","O=CCCCC(O)C","O=CCCCC(O)C","",1,"Hexanal, 5-hydroxy-, (R)-(1)","123411-56-3(1)","5650","Medium Reliability","Stereochemistry removed"]
[2825,"COCCCCC=O\n\n\n","COCCCCC=O","O=CCCCCOC","",1,"Pentanal, 5-methoxy-(1)","84629-00-5(1)","5302","Medium Reliability"]
[2826,"OCC1CCCCO1\n\n\n","OCC1CCCCO1","OCC1OCCCC1","",1,"TETRAHYDROPYRAN-2-METHANOL(1)","100-72-1(1)","896","High Reliability","Checked on PubChem, Checked on ChemID"]
[2827,"OCC(CO)OCC=C\n\n\n","OCC(OCC=C)CO","OCC(OCC=C)CO","",1,"1,3-Propanediol, 2-(2-propenyloxy)-(1)","6806-76-4(1)","3782","Medium Reliability","Checked on PubChem, Checked on ChemID"]
[2828,"CCC(O)(CC)C(O)=O\nCCC(O)(CC)C([O-])=O\n\n","CCC(C(=O)O)(CC)O","O=C(O)C(O)(CC)CC","",1,"Butanoic acid, 2-ethyl-2-hydroxy-(1)","3639-21-2(1)","3405","High Reliability"]
[2829,"CCOCCOC(C)=O\nCCOC(C)CC([O-])=O\n\n","CCOCCOC(=O)C","O=C(OCCOCC)C","",1,"ethoxyethylacetate(1)","111-15-9(1)","1206","High Reliability","Name verified in PubChem"]
[2830,"CCOCCC(=O)OC\n\n\n","CCOCCC(=O)OC","O=C(OC)CCOCC","",1,"Propanoic acid, 3-ethoxy-, methyl ester(1)","14144-33-3(1)","4010","Medium Reliability"]
[2831,"CC1OC(C)OC(C)O1\n\n\n","CC1OC(C)OC(O1)C","O1C(OC(OC1C)C)C","",1,"PARALDEHYDE(1)","123-63-7(1)","1421","High Reliability"]
[2832,"COCC(C)OC(C)=O\n\n\n","COCC(OC(=O)C)C","O=C(OC(C)COC)C","",1,"PROPYLENE GLYCOL ME ETHER ACETATE(1)","108-65-6(1)","1094","Medium Reliability"]
[2833,"OCC1CCC(CO)O1\n\n\n","OCC1CCC(O1)CO","OCC1OC(CO)CC1","",1,"2,5-Tetrahydrofurandimethanol(1)","104-80-3(1)","959","High Reliability","Checked on PubChem, Checked on ChemID"]
[2834,"OC1CC(O)C(O)C(O)C1O\n\n\n","OC1CC(O)C(C(C1O)O)O","OC1CC(O)C(O)C(O)C1(O)","",1,"d-Quercitol(1)","488-73-3(1)","1870","High Reliability","Stereochemistry removed"]
[2835,"OC1C(O)C(O)C(O)C(O)C1O\n\n\n","OC1C(O)C(O)C(C(C1O)O)O","OC1C(O)C(O)C(O)C(O)C1(O)","",2,"INOSITOL(1), Scyllitol(1)","87-89-8(1), 488-59-5(1)","603, 1869","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2836,"OCC1OC(O)C(O)C(O)C1O\n\n\n","OCC1OC(O)C(C(C1O)O)O","OCC1OC(O)C(O)C(O)C1(O)","",1,"alpha-D-Glucose(1)","492-62-6(1)","1883","High Reliability","Stereochemistry removed"]
[2837,"OCC(O)C(O)C(O)C(=O)CO\n\n\n","OCC(C(C(C(=O)CO)O)O)O","O=C(CO)C(O)C(O)C(O)CO","",1,"L-Sorbose(1)","87-79-6(1)","598","High Reliability","Stereochemistry removed"]
[2838,"OCC(O)C(O)C(O)C(O)C(O)=O\n[K+].OCC(O)C(O)C(O)C(O)C([O-])=O\n[Na+].OCC(O)C(O)C(O)C(O)C([O-])=O\n[Cu+2].OCC(O)C(O)C(O)C(O)C([O-])=O.OCC(O)C(O)C(O)C(O)C([O-])=O","OCC(C(C(C(C(=O)O)O)O)O)O","O=C(O)C(O)C(O)C(O)C(O)CO","",3,"D-GLUCONIC ACID(1), Sodium Gluconate(1), Cupric Gluconate(1)","526-95-4(1), 527-07-1(1), 527-09-3(1)","1994, 1998, 1999","High Reliability","Differences in counterions, Organometallic, Organic counterion, Stereochemistry removed"]
[2839,"CCCCCCBr\n\n\n","CCCCCCBr","CCCCCCBr","",1,"1-BROMOHEXANE(1)","111-25-1(1)","1211","High Reliability"]
[2840,"CCCCCCCl\n\n\n","CCCCCCCl","CCCCCCCl","",1,"1-CHLOROHEXANE(1)","544-10-5(1)","2107","High Reliability"]
[2841,"CCN(CCCl)CCCl\n\n\n","ClCCN(CCCl)CC","N(CC)(CCCl)CCCl","",1,"BIS(2-CHLOROETHYL)ETHYLAMINE(1)","538-07-8(1)","2050","High Reliability"]
[2842,"C1CCCNCC1\n\n\n","C1CCCCNC1","N1CCCCCC1","",1,"HEXAMETHYLENEIMINE(1)","111-49-9(1)","1222","High Reliability"]
[2843,"CN1CCCCC1\n[H+].[Cl-].CN1CCCCC1\n\n","CN1CCCCC1","N1(C)CCCCC1","",1,"N-METHYLPIPERIDINE(1)","626-67-5(1)","2531","High Reliability","Differences in counterions"]
[2844,"NC1CCCCC1\n\n\n","NC1CCCCC1","NC1CCCCC1","",1,"CYCLOHEXANAMINE(1)","108-91-8(1)","1111","High Reliability"]
[2845,"OCC(O)C(O)C(O)C=NNC(O)=N\n\n\n","OCC(C(C(C=NNC(=N)O)O)O)O","N=C(O)NN=CC(O)C(O)C(O)CO","",1,"D-Xylose, (aminocarbonyl)hydrazone(1)","5934-39-4(1)","3680","Medium Reliability","Stereochemistry removed"]
[2846,"CCN1CCOCC1\n\n\n","CCN1CCOCC1","O1CCN(CC)CC1","",1,"4-ETHYLMORPHOLINE(1)","100-74-3(1)","897","High Reliability"]
[2847,"CCCCC(N)C(O)=O\n\n\n","CCCCC(C(=O)O)N","O=C(O)C(N)CCCC","",2,"DL-Norleucine(1), Norleucine(1)","616-06-8(1), 5157-09-5(1)","2441, 3572","Medium Reliability","Stereochemistry removed"]
[2848,"CCC(C)C(N)C(O)=O\n\n\n","CCC(C(C(=O)O)N)C","O=C(O)C(N)C(C)CC","",5,"ISO-LEUCINE(1), ISOLEUCINE(1), DL-Isoleucine(1), Isoleucine(1), DL-Alloisoleucine(1)","73-32-5(1), 319-78-8(1), 443-79-8(1), 7004-09-3(1), 3107-04-8(1)","301, 1724, 1789, 3806, 3328","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2849,"CCNC(CC)C(O)=O\n\n\n","CCNC(C(=O)O)CC","O=C(O)C(NCC)CC","",1,"Butanoic acid, 2-(ethylamino)-(1)","17199-14-3(1)","4146","Medium Reliability"]
[2850,"CC(C)CC(N)C(O)=O\n\n\n","NC(C(=O)O)CC(C)C","O=C(O)C(N)CC(C)C","",2,"LEUCINE(2)","61-90-5(1), 328-39-2(1)","203, 1736","High Reliability","Stereochemistry removed"]
[2851,"CCOC(=O)N(C)CC\n\n\n","CCOC(=O)N(CC)C","O=C(OCC)N(C)CC","",1,"Carbamic acid, ethylmethyl-, ethyl ester(1)","77333-18-7(1)","5238","Medium Reliability"]
[2852,"CCN(CC)C(=O)OC\n\n\n","CCN(C(=O)OC)CC","O=C(OC)N(CC)CC","",1,"Carbamic acid, diethyl-, methyl ester(1)","4652-44-2(1)","3519","High Reliability"]
[2853,"NCCCCCC(O)=O\n\n\n","NCCCCCC(=O)O","O=C(O)CCCCCN","",1,"6-AMINOHEXANOIC ACID(1)","60-32-2(1)","187","High Reliability"]
[2854,"CCCCCCO[N+]([O-])=O\n\n\n","CCCCCCO[N+](=O)[O-]","O=[N+]([O-])OCCCCCC","",1,"1-HEXYL NITRATE(1)","20633-11-8(1)","4264","High Reliability"]
[2855,"NC(C(O)C(O)C(O)CO)C(O)=O\n\n\n","OCC(C(C(C(C(=O)O)N)O)O)O","O=C(O)C(N)C(O)C(O)C(O)CO","",1,"D-Gluconic acid, 2-amino-2-deoxy-(1)","3646-68-2(1)","3407","High Reliability","Stereochemistry removed"]
[2856,"OC1C(O)C(O)C(OP([O-])([O-])=O)C(O)C1O\nOC1C(O)C(O)C(OP(O)(O)=O)C(O)C1O\n\n","OC1C(OP(=O)(O)O)C(O)C(C(C1O)O)O","O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1(O)","",1,"INOSITOL MONOPHOSPHATE(1)","573-35-3(1)","2205","High Reliability","Stereochemistry removed"]
[2857,"CCCCCC\n\n\n","CCCCCC","CCCCCC","",1,"N-HEXANE(1)","110-54-3(1)","1177","High Reliability"]
[2858,"CCCC(C)C\n\n\n","CCCC(C)C","CCCC(C)C","",1,"2-METHYLPENTANE(1)","107-83-5(1)","1054","High Reliability"]
[2859,"CCC(C)CC\n\n\n","CCC(CC)C","CCC(C)CC","",1,"3-METHYLPENTANE(1)","96-14-0(1)","767","High Reliability"]
[2860,"CC(C)C(C)C\n\n\n","CC(C(C)C)C","CC(C)C(C)C","",1,"2,3-DIMETHYLBUTANE(1)","79-29-8(1)","474","High Reliability"]
[2861,"CCC(C)(C)C\n\n\n","CCC(C)(C)C","CCC(C)(C)C","",1,"2,2-DIMETHYLBUTANE(1)","75-83-2(1)","368","High Reliability"]
[2862,"CC(C)OP(F)(=O)OC(C)C\n\n\n","CC(OP(=O)(OC(C)C)F)C","O=P(F)(OC(C)C)OC(C)C","",1,"ISOFLUROPHATE(1)","55-91-4(1)","87","High Reliability"]
[2863,"CC1CNC(C)CN1\nCC1C[NH2+]C(C)C[NH2+]1\n\n","CC1NCC(NC1)C","N1CC(NCC1C)C","",1,"trans-2,5-Dimethylpiperazine(1)","2815-34-1(1)","3289","High Reliability","Stereochemistry removed"]
[2864,"CCCCN(CC)N=O\nCCCCNCCN=O\n\n","CCCCN(N=O)CC","O=NN(CC)CCCC","",1,"n-nitrosoethyl-n-butylamine(1)","4549-44-4(1)","3508","High Reliability","Name verified in PubChem"]
[2865,"CCCN(CCC)N=O\n\n\n","CCCN(N=O)CCC","O=NN(CCC)CCC","",1,"N-NITROSODIPROPYLAMINE(1)","621-64-7(1)","2480","High Reliability"]
[2866,"CCC(C)(C)NC(N)=O\n\n\n","CCC(NC(=O)N)(C)C","O=C(N)NC(C)(C)CC","",1,"Urea, (1,1-dimethylpropyl)-(1)","625-15-0(1)","2513","High Reliability"]
[2867,"CC(C)N(N=O)C(C)C\n\n\n","CC(N(C(C)C)N=O)C","O=NN(C(C)C)C(C)C","",1,"DI-I-PROPYLNITROSOAMINE(1)","601-77-4(1)","2366","Medium Reliability"]
[2868,"NCCCCC(N)C(O)=O\n\n\n","NCCCCC(C(=O)O)N","O=C(O)C(N)CCCCN","",1,"LYSINE(1)","56-87-1(1)","112","High Reliability","Stereochemistry removed"]
[2869,"NNC(=O)C(O)C(O)C(O)C(O)CO\n\n\n","OCC(C(C(C(C(=O)NN)O)O)O)O","O=C(NN)C(O)C(O)C(O)C(O)CO","",1,"D-Gluconic acid, hydrazide(1)","3868-12-0(1)","3441","Medium Reliability","Stereochemistry removed"]
[2870,"NC(CCCNC(N)=N)C(O)=O\nNC(CCCN=C(N)N)C(O)=O\n\n","NC(=N)NCCCC(C(=O)O)N","O=C(O)C(N)CCCNC(=N)N","",1,"ARGININE(1)","74-79-3(1)","306","High Reliability","Stereochemistry removed"]
[2871,"CCNC(=O)CSP(=S)(OC)OC\n\n\n","CCNC(=O)CSP(=S)(OC)OC","O=C(NCC)CSP(OC)(OC)=S","",1,"ETHOATE METHYL(1)","116-01-8(1)","1294","High Reliability"]
[2872,"CCCCCCO\n\n\n","CCCCCCO","OCCCCCC","",2,"1-HEXANOL(1), HEXANOL(1)","111-27-3(1), 25917-35-5(1)","1213, 4410","High Reliability","Checked on PubChem, Checked on ChemID"]
[2873,"CCCCC(C)O\n\n\n","CCCCC(O)C","OC(C)CCCC","",1,"2-HEXANOL(1)","626-93-7(1)","2535","High Reliability"]
[2874,"CCCC(C)CO\n\n\n","CCCC(CO)C","OCC(C)CCC","",1,"2-METHYL-1-PENTANOL(1)","105-30-6(1)","966","High Reliability"]
[2875,"CCCC(O)CC\n\n\n","CCCC(CC)O","OC(CC)CCC","",1,"3-HEXANOL(1)","623-37-0(1)","2495","High Reliability"]
[2876,"CCCOCCC\n\n\n","CCCOCCC","O(CCC)CCC","",1,"DI(N-PROPYL) ETHER(1)","111-43-3(1)","1218","Medium Reliability"]
[2877,"CCC(C)CCO\n\n\n","OCCC(CC)C","OCCC(C)CC","",1,"3-Methyl-1-pentanol(1)","589-35-5(1)","2272","High Reliability"]
[2878,"CCC(CC)CO\n\n\n","CCC(CO)CC","OCC(CC)CC","",1,"2-ETHYL-1-BUTANOL(1)","97-95-0(1)","805","High Reliability"]
[2879,"CCC(C)C(C)O\n\n\n","CCC(C(O)C)C","OC(C)C(C)CC","",1,"3-METHYL-2-PENTANOL(1)","565-60-6(1)","2190","High Reliability","Checked on PubChem, Checked on ChemID"]
[2880,"CCCC(C)(C)O\n\n\n","CCCC(O)(C)C","OC(C)(C)CCC","",1,"2-METHYL-2-PENTANOL(1)","590-36-3(1)","2290","High Reliability"]
[2881,"CCCOC(C)C\n\n\n","CCCOC(C)C","O(CCC)C(C)C","",1,"PROPYL ISOPROPYL ETHER(1)","627-08-7(1)","2538","High Reliability"]
[2882,"CCC(C)(C)CO\n\n\n","CCC(CO)(C)C","OCC(C)(C)CC","",1,"2,2-DIMETHYL-1-BUTANOL(1)","1185-33-7(1)","2858","High Reliability"]
[2883,"CCC(C)(O)CC\n\n\n","CCC(CC)(O)C","OC(C)(CC)CC","",1,"3-METHYL-3-PENTANOL(1)","77-74-7(1)","421","High Reliability"]
[2884,"CCC(O)C(C)C\n\n\n","CCC(C(C)C)O","OC(CC)C(C)C","",1,"2-METHYL-3-PENTANOL(1)","565-67-3(1)","2192","High Reliability","Checked on PubChem, Checked on ChemID"]
[2885,"CC(C)CC(C)O\n\n\n","CC(CC(O)C)C","OC(C)CC(C)C","",1,"4-METHYL-2-PENTANOL(1)","108-11-2(1)","1069","High Reliability"]
[2886,"CC(C)C(C)CO\n\n\n","OCC(C(C)C)C","OCC(C)C(C)C","",1,"1-BUTANOL, 2,3-DIMETHYL-(1)","19550-30-2(1)","4230","High Reliability","Checked on PubChem, Checked on ChemID"]
[2887,"CC(C)C(C)(C)O\n\n\n","CC(C(O)(C)C)C","OC(C)(C)C(C)C","",1,"2,3-DIMETHYL-2-BUTANOL(1)","594-60-5(1)","2325","High Reliability"]
[2888,"CC(C)OC(C)C\n\n\n","CC(OC(C)C)C","O(C(C)C)C(C)C","",1,"DI-ISOPROPYL ETHER(1)","108-20-3(1)","1073","High Reliability"]
[2889,"CC(O)C(C)(C)C\n\n\n","CC(C(C)(C)C)O","OC(C)C(C)(C)C","",1,"3,3-DIMETHYL-2-BUTANOL(1)","464-07-3(1)","1813","High Reliability"]
[2890,"CCOC(C)(C)C\n\n\n","CCOC(C)(C)C","O(CC)C(C)(C)C","",1,"ETHYL T-BUTYL ETHER(1)","637-92-3(1)","2600","High Reliability"]
[2891,"CC(C)CCCO\n\n\n","OCCCC(C)C","OCCCC(C)C","",1,"4-METHYL-1-PENTANOL(1)","626-89-1(1)","2534","High Reliability"]
[2892,"CC(C)(C)CCO\n\n\n","OCCC(C)(C)C","OCCC(C)(C)C","",1,"3,3-DIMETHYL-1-BUTANOL(1)","624-95-3(1)","2511","High Reliability"]
[2893,"CCCCOCCO\n\n\n","CCCCOCCO","OCCOCCCC","",1,"2-BUTOXYETHANOL(1)","111-76-2(1)","1230","High Reliability"]
[2894,"CCCOCC(C)O\n\n\n","CCCOCC(O)C","OC(C)COCCC","",1,"1-PROPOXY-2-PROPANOL(1)","1569-01-3(1)","2926","High Reliability"]
[2895,"CCOCCOCC\n\n\n","CCOCCOCC","O(CC)CCOCC","",1,"1,2-DIETHOXYETHANE(1)","629-14-1(1)","2565","High Reliability"]
[2896,"CCOC(C)CCO\n\n\n","OCCC(OCC)C","OCCC(OCC)C","",1,"1-Butanol, 3-ethoxy-(1)","82655-81-0(1)","5281","Medium Reliability"]
[2897,"CCOC(C)OCC\n\n\n","CCOC(OCC)C","O(CC)C(OCC)C","",1,"1,1-DIETHOXYETHANE(1)","105-57-7(1)","977","High Reliability"]
[2898,"CC(O)CC(C)(C)O\n\n\n","CC(CC(O)(C)C)O","OC(C)CC(O)(C)C","",1,"2-METHYL-2,4-PENTANEDIOL(1)","107-41-5(1)","1044","High Reliability"]
[2899,"CCC(CO)(CO)CO\n\n\n","CCC(CO)(CO)CO","OCC(CO)(CO)CC","",1,"1,1,1-TRIS(HYDROXYMETHYL)PROPANE(1)","77-99-6(1)","430","High Reliability"]
[2900,"CCOCCOCCO\n\n\n","OCCOCCOCC","OCCOCCOCC","",1,"DIETHYLENE GLYCOL MONOETHYL ETHER(1)","111-90-0(1)","1237","High Reliability"]
[2901,"CC(O)COC(C)CO\n\n\n","OCC(OCC(O)C)C","OCC(OCC(O)C)C","",1,"1-PROPANOL, 2-(2-HYDROXYPROPOXY)-(1)","106-62-7(1)","1007","High Reliability"]
[2902,"COCCOCCOC\n\n\n","COCCOCCOC","O(C)CCOCCOC","",1,"2-METHOXYETHYLETHER(1)","111-96-6(1)","1240","High Reliability"]
[2903,"OCCOCCOCCO\n\n\n","OCCOCCOCCO","OCCOCCOCCO","",1,"TRIETHYLENE GLYCOL(1)","112-27-6(1)","1247","High Reliability"]
[2904,"OCC(O)C(O)C(O)C(O)CO\n\n\n","OCC(C(C(C(CO)O)O)O)O","OCC(O)C(O)C(O)C(O)CO","",3,"SORBITOL(1), MANNITOL(1), GALACTITOL(1)","50-70-4(1), 69-65-8(1), 608-66-2(1)","30, 268, 2396","High Reliability","Stereochemistry removed"]
[2905,"CCCSS(=O)CCC\n\n\n","CCCSS(=O)CCC","O=S(CCC)SCCC","",1,"propane-1-thiosulfinic acid S-propyl ester(1)","1948-52-3(1)","3044","High Reliability"]
[2906,"CC(C)SS(=O)C(C)C\n\n\n","CC(SS(=O)C(C)C)C","O=S(C(C)C)SC(C)C","",1,"Propane-2-thiosulfinic acid S-isopropyl ester(1)","38739-06-9(1)","4694","Medium Reliability"]
[2907,"CCCCCCN\n\n\n","CCCCCCN","NCCCCCC","",1,"N-HEXYLAMINE(1)","111-26-2(1)","1212","High Reliability"]
[2908,"CCCCNCC\n\n\n","CCCCNCC","N(CC)CCCC","",1,"1-Butanamine, N-ethyl-(1)","13360-63-9(1)","3971","High Reliability"]
[2909,"CCCNCCC\n\n\n","CCCNCCC","N(CCC)CCC","",1,"DIPROPYLAMINE(1)","142-84-7(1)","1589","High Reliability"]
[2910,"CCNC(C)CC\n\n\n","CCNC(CC)C","N(CC)C(C)CC","",1,"sec-Butyl Ethylamine(1)","116724-10-8(1)","5610","High Reliability","Checked on PubChem, Checked on ChemID"]
[2911,"CCN(CC)CC\n\n\n","CCN(CC)CC","N(CC)(CC)CC","",1,"TRIETHYLAMINE(1)","121-44-8(1)","1374","High Reliability"]
[2912,"CC(C)NC(C)C\n\n\n","CC(NC(C)C)C","N(C(C)C)C(C)C","",1,"DIISOPROPYLAMINE(1)","108-18-9(1)","1071","High Reliability"]
[2913,"CC(N)C(C)(C)C\nCC([NH3+])C(C)(C)C\n\n","CC(C(C)(C)C)N","NC(C)C(C)(C)C","",1,"2-Butanamine, 3,3-dimethyl-(1)","3850-30-4(1)","3439","High Reliability","Stereochemistry removed"]
[2914,"CCCCNCCO\n\n\n","CCCCNCCO","OCCNCCCC","",1,"Ethanol, 2-(butylamino)-(1)","111-75-1(1)","1229","High Reliability"]
[2915,"CCN(CC)CCO\n\n\n","OCCN(CC)CC","OCCN(CC)CC","",1,"2-(DIETHYLAMINO)-ETHANOL(1)","100-37-8(1)","874","High Reliability"]
[2916,"CN(C)C(C)(C)CO\n[H+].[Cl-].CN(C)C(C)(C)CO\n\n","OCC(N(C)C)(C)C","OCC(N(C)C)(C)C","",1,"DMAMP(1)","7005-47-2(1)","3807","High Reliability","Differences in counterions"]
[2917,"CCN(CCO)CCO\nCC[NH+](CCO)CCO\n\n","OCCN(CCO)CC","OCCN(CC)CCO","",1,"Ethanol, 2,2'-(ethylimino)bis-(1)","139-87-7(1)","1549","High Reliability"]
[2918,"CC(O)CNCC(C)O\n\n\n","CC(CNCC(O)C)O","OC(C)CNCC(O)C","",1,"DIISOPROPANOLAMINE(1)","110-97-4(1)","1201","High Reliability"]
[2919,"OCCN(CCO)CCO\n\n\n","OCCN(CCO)CCO","OCCN(CCO)CCO","",1,"TRIETHANOLAMINE(1)","102-71-6(1)","922","High Reliability"]
[2920,"CCSCCSP(=S)(OC)OC\n\n\n","CCSCCSP(=S)(OC)OC","O(C)P(OC)(=S)SCCSCC","",1,"THIOMETON(1)","640-15-3(1)","2605","High Reliability"]
[2921,"CCSCCSP(=O)(OC)OC\n\n\n","CCSCCSP(=O)(OC)OC","O=P(OC)(OC)SCCSCC","",1,"DEMETON-S-METHYL(1)","919-86-8(1)","2739","High Reliability"]
[2922,"CCOP(=O)(OCC)OCC\n\n\n","CCOP(=O)(OCC)OCC","O=P(OCC)(OCC)OCC","",1,"TRIETHYL PHOSPHATE(1)","78-40-0(1)","434","High Reliability"]
[2923,"CCS(=O)CCSP(=O)(OC)OC\n\n\n","CCS(=O)CCSP(=O)(OC)OC","O=S(CC)CCSP(=O)(OC)OC","",1,"OXYDEMETON METHYL(1)","301-12-2(1)","1705","High Reliability"]
[2924,"CC(C)NP(F)(=O)NC(C)C\n\n\n","CC(NP(=O)(NC(C)C)F)C","O=P(F)(NC(C)C)NC(C)C","",1,"ISOPESTOX(1)","371-86-8(1)","1761","High Reliability"]
[2925,"NCCCCCCN\n\n\n","NCCCCCCN","NCCCCCCN","",1,"HEXAMETHYLENE DIAMINE(1)","124-09-4(1)","1438","High Reliability"]
[2926,"CN(C)P(=O)(N(C)C)N(C)C\n\n\n","CN(P(=O)(N(C)C)N(C)C)C","O=P(N(C)C)(N(C)C)N(C)C","",1,"HEXAMETHYLPHOSPHORAMIDE(1)","680-31-9(1)","2625","High Reliability"]
[2927,"NCCNCCNCCN\n\n\n","NCCNCCNCCN","NCCNCCNCCN","",1,"TRIETHYLENETETRAAMINE(1)","112-24-3(1)","1244","High Reliability"]
[2928,"OP(O)(=O)OC1C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1OP(O)(O)=O\n\n\n","OP(=O)(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O","O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1(OP(=O)(O)O)","",1,"Phytic Acid(1)","83-86-3(1)","531","High Reliability","Stereochemistry removed"]
[2929,"ClN=C1C=C(Br)C(=O)C(Br)=C1\n\n\n","ClN=C1C=C(Br)C(=O)C(=C1)Br","O=C1C(=CC(=NCl)C=C1Br)Br","",1,"2,6-DIBROMOQUINONECHLOROIMIDE(1)","537-45-1(1)","2046","Medium Reliability"]
[2930,"Brc1cc(Br)c(Br)cc1Br\n\n\n","Brc1cc(Br)c(cc1Br)Br","c1c(c(cc(c1Br)Br)Br)Br","",1,"1,2,4,5-TETRABROMOBENZENE(1)","636-28-2(1)","2592","High Reliability"]
[2931,"OC1=C(Cl)C(=O)C(O)=C(Cl)C1=O\n\n\n","OC1=C(Cl)C(=O)C(=C(C1=O)Cl)O","O=C1C(O)=C(C(=O)C(O)=C1Cl)Cl","",1,"Chloranilic acid(1)","87-88-7(1)","602","High Reliability"]
[2932,"[O-][N+](=O)c1ccc(Cl)c(Cl)c1Cl\n\n\n","[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl","O=[N+]([O-])c1ccc(c(c1Cl)Cl)Cl","",1,"2,3,4-TRICHLORONITROBENZENE(1)","17700-09-3(1)","4167","High Reliability"]
[2933,"[O-][N+](=O)c1c(Cl)cc(Cl)cc1Cl\n\n\n","Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl","O=[N+]([O-])c1c(cc(cc1Cl)Cl)Cl","",1,"BENZENE, 1,3,5-TRICHLORO-2-NITRO-(1)","18708-70-8(1)","4205","High Reliability"]
[2934,"[O-][N+](=O)c1cc(Cl)c(Cl)cc1Cl\n\n\n","Clc1cc([N+](=O)[O-])c(cc1Cl)Cl","O=[N+]([O-])c1cc(c(cc1Cl)Cl)Cl","",1,"2,4,5-TRICHLORONITROBENZENE(1)","89-69-0(1)","639","High Reliability"]
[2935,"Clc1c(Cl)c(Cl)c(Cl)cc1\nClc1ccc(Cl)c(Cl)c1Cl\n\n","Clc1c(Cl)ccc(c1Cl)Cl","c1cc(c(c(c1Cl)Cl)Cl)Cl","",1,"1,2,3,4-TETRACHLOROBENZENE(1)","634-66-2(1)","2586","High Reliability"]
[2936,"Clc1cc(Cl)c(Cl)cc1Cl\n\n\n","Clc1cc(Cl)c(cc1Cl)Cl","c1c(c(cc(c1Cl)Cl)Cl)Cl","",1,"1,2,4,5-TETRACHLOROBENZENE(1)","95-94-3(1)","762","High Reliability"]
[2937,"Clc1cc(Cl)c(Cl)c(Cl)c1\n\n\n","Clc1cc(Cl)c(c(c1)Cl)Cl","c1c(cc(c(c1Cl)Cl)Cl)Cl","",1,"1,2,3,5-TETRACHLOROBENZENE(1)","634-90-2(1)","2587","High Reliability"]
[2938,"Oc1c(Cl)c(Cl)c(Cl)cc1Cl\n\n\n","Oc1c(Cl)cc(c(c1Cl)Cl)Cl","Oc1c(cc(c(c1Cl)Cl)Cl)Cl","",1,"2,3,4,6-TETRACHLOROPHENOL(1)","58-90-2(1)","160","High Reliability"]
[2939,"Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl\n\n\n","Oc1c(O)c(Cl)c(c(c1Cl)Cl)Cl","Oc1c(O)c(c(c(c1Cl)Cl)Cl)Cl","",1,"TETRACHLORO-1,2-BENZENEDIOL(1)","1198-55-6(1)","2871","High Reliability"]
[2940,"[O-][N+](=O)c1ccc(Cl)c(c1[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1[N+](=O)[O-])[N+](=O)[O-])Cl","O=[N+]([O-])c1ccc(c(c1[N+](=O)[O-])[N+](=O)[O-])Cl","",1,"CHLOROTRINITROBENZENE(1)","28260-61-9(1)","4461","High Reliability","Checked on PubChem, Checked on ChemID"]
[2941,"[O-][N+](=O)c1cc(c(Cl)c(c1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]","",1,"2,4,6-TRINITROCHLOROBENZENE(1)","88-88-0(1)","623","High Reliability"]
[2942,"Fc1cc(F)c(F)cc1F\n\n\n","Fc1cc(F)c(cc1F)F","Fc1cc(F)c(F)cc1(F)","",1,"1,2,4,5-TETRAFLUOROBENZENE(1)","327-54-8(1)","1732","High Reliability"]
[2943,"Fc1cc(F)c(F)c(F)c1\n\n\n","Fc1cc(F)c(c(c1)F)F","Fc1cc(F)c(F)c(F)c1","",1,"1,2,3,5-TETRAFLUOROBENZENE(1)","2367-82-0(1)","3177","High Reliability"]
[2944,"Brc1cc(Br)c(Br)cc1\n\n\n","Brc1ccc(c(c1)Br)Br","c1cc(c(cc1Br)Br)Br","",1,"1,2,4-TRIBROMOBENZENE(1)","615-54-3(1)","2437","High Reliability"]
[2945,"Brc1cc(Br)cc(Br)c1\n\n\n","Brc1cc(Br)cc(c1)Br","c1c(cc(cc1Br)Br)Br","",1,"1,3,5-TRIBROMOBENZENE(1)","626-39-1(1)","2527","High Reliability"]
[2946,"Brc1cccc(Br)c1Br\n\n\n","Brc1c(Br)cccc1Br","c1cc(c(c(c1)Br)Br)Br","",2,"1,2,3-TRIBROMOBENZENE(1), TRIBROMOBENZENE(1)","608-21-9(1), 28779-08-0(1)","2390, 4469","High Reliability","Checked on PubChem, Checked on ChemID"]
[2947,"Oc1c(Br)cc(Br)cc1Br\n\n\n","Brc1cc(Br)c(c(c1)Br)O","Oc1c(cc(cc1Br)Br)Br","",1,"2,4,6-TRIBROMOPHENOL(1)","118-79-6(1)","1325","High Reliability"]
[2948,"OC(=O)c1c(Cl)ccc(Cl)n1\nOC(=O)c1nc(Cl)ccc1Cl\n\n","Clc1ccc(c(n1)C(=O)O)Cl","O=C(O)c1nc(ccc1Cl)Cl","",1,"3,6-DICHLOROPICOLINIC ACID(1)","1702-17-6(1)","2966","High Reliability"]
[2949,"[O-][N+](=O)c1c(Cl)ccc(Cl)c1\n[O-][N+](=O)c1cc(Cl)ccc1Cl\n\n","Clc1ccc(c(c1)[N+](=O)[O-])Cl","O=[N+]([O-])c1cc(ccc1Cl)Cl","",1,"2,5-DICHLORONITROBENZENE(1)","89-61-2(1)","633","High Reliability"]
[2950,"[O-][N+](=O)c1cccc(Cl)c1Cl\n\n\n","[O-][N+](=O)c1cccc(c1Cl)Cl","O=[N+]([O-])c1cccc(c1Cl)Cl","",1,"2,3-DICHLORONITROBENZENE(1)","3209-22-1(1)","3350","High Reliability"]
[2951,"[O-][N+](=O)c1ccc(Cl)c(Cl)c1\n\n\n","[O-][N+](=O)c1ccc(c(c1)Cl)Cl","O=[N+]([O-])c1ccc(c(c1)Cl)Cl","",1,"3,4-DICHLORONITROBENZENE(1)","99-54-7(1)","849","High Reliability"]
[2952,"Oc1c(Cl)cc(Cl)cc1[N+]([O-])=O\n\n\n","Clc1cc(Cl)c(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(cc(c1(O))Cl)Cl","",1,"2,4-DICHLORO-6-NITROPHENOL(1)","609-89-2(1)","2402","High Reliability"]
[2953,"Clc1cc(Cl)c(Cl)cc1\n\n\n","Clc1ccc(c(c1)Cl)Cl","c1cc(c(cc1Cl)Cl)Cl","",1,"1,2,4-TRICHLOROBENZENE(1)","120-82-1(1)","1364","High Reliability"]
[2954,"Clc1cc(Cl)cc(Cl)c1\n\n\n","Clc1cc(Cl)cc(c1)Cl","c1c(cc(cc1Cl)Cl)Cl","",1,"1,3,5-TRICHLOROBENZENE(1)","108-70-3(1)","1097","High Reliability"]
[2955,"Clc1cccc(Cl)c1Cl\n\n\n","Clc1c(Cl)cccc1Cl","c1cc(c(c(c1)Cl)Cl)Cl","",2,"1,2,3-TRICHLOROBENZENE(1), TRICHLOROBENZENES(1)","87-61-6(1), 12002-48-1(1)","591, 3938","High Reliability","Checked on PubChem"]
[2956,"Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl\n\n\n","OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl","O=C(O)c1nc(c(c(N)c1Cl)Cl)Cl","",1,"PICLORAM(1)","1918-02-1(1)","3025","High Reliability"]
[2957,"Oc1c(Cl)ccc(Cl)c1Cl\n\n\n","Clc1ccc(c(c1Cl)O)Cl","Oc1c(ccc(c1Cl)Cl)Cl","",1,"2,3,6-TRICHLOROPHENOL(1)","933-75-5(1)","2755","High Reliability"]
[2958,"Oc1c(Cl)cc(Cl)cc1Cl\n\n\n","Clc1cc(Cl)c(c(c1)Cl)O","Oc1c(cc(cc1Cl)Cl)Cl","",1,"2,4,6-TRICHLOROPHENOL(1)","88-06-2(1)","607","High Reliability"]
[2959,"Oc1c(Cl)cc(Cl)c(Cl)c1\n\n\n","Clc1cc(Cl)c(cc1O)Cl","Oc1cc(c(cc1Cl)Cl)Cl","",1,"2,4,5-TRICHLOROPHENOL(1)","95-95-4(1)","763","High Reliability"]
[2960,"Oc1cc(Cl)c(O)c(Cl)c1Cl\nOc1ccc(OCl)c(Cl)c1Cl\n\n","Clc1cc(O)c(c(c1O)Cl)Cl","Oc1cc(c(O)c(c1Cl)Cl)Cl","",1,"trichlorohydroquinone(1)","608-94-6(1)","2399","High Reliability","Name verified in PubChem"]
[2961,"Clc1cccc(n1)C(Cl)(Cl)Cl\n\n\n","Clc1cccc(n1)C(Cl)(Cl)Cl","n1c(cccc1Cl)C(Cl)(Cl)Cl","",1,"NITRAPYRIN(1)","1929-82-4(1)","3039","High Reliability"]
[2962,"[O-][N+](=O)c1cc(c(Cl)cc1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl","O=[N+]([O-])c1ccc(c(c1)[N+](=O)[O-])Cl","",1,"2,4-DINITROCHLOROBENZENE(1)","97-00-7(1)","790","High Reliability"]
[2963,"Clc1nc2ncncc2nc1\nClc1cnc2cncnc2n1\n\n","Clc1cnc2c(n1)ncnc2","n1cnc2nc(cnc2(c1))Cl","",1,"Pteridine, 7-chloro-(1)","1125-84-4(1)","2845","Medium Reliability"]
[2964,"Clc1nc2cncnc2nc1\nClc1cnc2ncncc2n1\n\n","Clc1cnc2c(n1)cncn2","n1cnc2ncc(nc2(c1))Cl","",1,"Pteridine, 6-chloro-(1)","1125-82-2(1)","2844","Medium Reliability"]
[2965,"Clc1ncc2nccnc2n1\n\n\n","Clc1ncc2c(n1)nccn2","n1ccnc2cnc(nc12)Cl","",1,"Pteridine, 2-chloro-(1)","14159-38-7(1)","4017","Medium Reliability"]
[2966,"FC(F)(F)c1nc2ncncc2[nH]1\nFC(F)(F)c1nc-2c[nH]cnc2n1\n\n","FC(c1nc2c([nH]1)cncn2)(F)F","FC(F)(F)c1nc2ncncc2([nH]1)","",1,"1H-Purine, 8-(trifluoromethyl)-(1)","2268-12-4(1)","3149","Medium Reliability"]
[2967,"[O-][N+](=O)c1ccc(F)c(c1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F","O=[N+]([O-])c1ccc(F)c(c1)[N+](=O)[O-]","",1,"1-FLUORO-2,4-DINITROBENZENE(1)","70-34-8(1)","274","High Reliability"]
[2968,"[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","",1,"1,3,5-TRINITROBENZENE(1)","99-35-4(1)","846","High Reliability"]
[2969,"Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-]","",1,"2,4,6-TRINITROPHENOL(1)","88-89-1(1)","624","High Reliability"]
[2970,"Oc1c(c(O)c(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O","O=[N+]([O-])c1cc(c(O)c(c1(O))[N+](=O)[O-])[N+](=O)[O-]","",1,"2,4,6-TRINITRORESORCINOL(1)","82-71-3(1)","517","High Reliability"]
[2971,"Brc1ccc(Br)cc1\n\n\n","Brc1ccc(cc1)Br","c1cc(ccc1Br)Br","",1,"1,4-DIBROMOBENZENE(1)","106-37-6(1)","993","High Reliability"]
[2972,"Brc1cc(Br)ccc1\n\n\n","Brc1cccc(c1)Br","c1cc(cc(c1)Br)Br","",1,"M-DIBROMOBENZENE(1)","108-36-1(1)","1079","High Reliability"]
[2973,"Brc1c(Br)cccc1\nBrc1ccccc1Br\n\n","Brc1ccccc1Br","c1ccc(c(c1)Br)Br","",1,"O-DIBROMOBENZENE(1)","583-53-9(1)","2238","High Reliability"]
[2974,"Oc1c(Br)cc(Br)cc1\n\n\n","Brc1ccc(c(c1)Br)O","Oc1ccc(cc1Br)Br","",1,"2,4-DIBROMOPHENOL(1)","615-58-7(1)","2438","High Reliability"]
[2975,"Nc1c(Br)c(c(Br)cc1Br)S(O)(=O)=O\nNc1c(Br)cc(Br)c(c1Br)S(O)(=O)=O\n\n","Brc1cc(Br)c(c(c1S(=O)(=O)O)Br)N","O=S(=O)(O)c1c(cc(c(N)c1Br)Br)Br","",1,"Benzenesulfonic acid, 3-amino-2,4,6-tribromo-(1)","58585-89-0(1)","4960","Medium Reliability"]
[2976,"Clc1ccc(Br)cc1\n\n\n","Clc1ccc(cc1)Br","c1cc(ccc1Cl)Br","",1,"P-BROMOCHLOROBENZENE(1)","106-39-8(1)","995","High Reliability"]
[2977,"Clc1cc(Br)ccc1\n\n\n","Clc1cccc(c1)Br","c1cc(cc(c1)Br)Cl","",1,"M-BROMOCHLOROBENZENE(1)","108-37-2(1)","1080","High Reliability"]
[2978,"Clc1ccccc1Br\n\n\n","Clc1ccccc1Br","c1ccc(c(c1)Cl)Br","",1,"2-BROMOCHLOROBENZENE(1)","694-80-4(1)","2640","High Reliability"]
[2979,"Fc1cc(Br)ccc1\n\n\n","Fc1cccc(c1)Br","Fc1cccc(c1)Br","",1,"M-BROMOFLUOROBENZENE(1)","1073-06-9(1)","2814","High Reliability"]
[2980,"Fc1c(Br)cccc1\nFc1ccccc1Br\n\n","Fc1ccccc1Br","Fc1ccccc1Br","",1,"1-bromo-2-fluorobenzene(1)","1072-85-1(1)","2813","High Reliability"]
[2981,"Brc1ccc(I)cc1\n\n\n","Brc1ccc(cc1)I","c1cc(ccc1Br)I","",1,"4-BROMOIODOBENZENE(1)","589-87-7(1)","2277","High Reliability"]
[2982,"[O-][N+](=O)c1cc(Br)ccc1\n[O-][N+](=O)c1cccc(Br)c1\n\n","Brc1cccc(c1)[N+](=O)[O-]","O=[N+]([O-])c1cccc(c1)Br","",1,"3-BROMO-1-NITROBENZENE(1)","585-79-5(1)","2252","High Reliability"]
[2983,"Oc1c(Br)cc(cc1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)Br)O","O=[N+]([O-])c1ccc(O)c(c1)Br","",1,"2-BROMO-4-NITROPHENOL(1)","5847-59-6(1)","3673","High Reliability"]
[2984,"Clc1ccc(Cl)cc1\n\n\n","Clc1ccc(cc1)Cl","c1cc(ccc1Cl)Cl","",1,"1,4-DICHLOROBENZENE(1)","106-46-7(1)","1000","High Reliability"]
[2985,"Clc1cc(Cl)ccc1\n\n\n","Clc1cccc(c1)Cl","c1cc(cc(c1)Cl)Cl","",1,"3-DICHLOROBENZENE(1)","541-73-1(1)","2085","Medium Reliability"]
[2986,"Clc1c(Cl)cccc1\nClc1ccccc1Cl\n\n","Clc1ccccc1Cl","c1ccc(c(c1)Cl)Cl","",1,"1,2-DICHLOROBENZENE(1)","95-50-1(1)","746","High Reliability"]
[2987,"Nc1c(Cl)cc(cc1Cl)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N","O=[N+]([O-])c1cc(c(N)c(c1)Cl)Cl","",1,"2,6-DICHLORO-4-NITROANILINE(1)","99-30-9(1)","843","High Reliability"]
[2988,"Cn1cnc2c1c(Cl)nc(Cl)n2\nCn1cnc2nc(Cl)nc(Cl)c12\n\n","Clc1nc(Cl)c2c(n1)ncn2C","n1cn(c2c1nc(nc2Cl)Cl)C","",1,"7H-Purine, 2,6-dichloro-7-methyl-(1)","2273-93-0(1)","3151","High Reliability"]
[2989,"Oc1cc(Cl)ccc1Cl\n\n\n","Clc1ccc(c(c1)O)Cl","Oc1cc(ccc1Cl)Cl","",1,"2,5-DICHLOROPHENOL(1)","583-78-8(1)","2242","High Reliability"]
[2990,"Oc1c(Cl)cc(Cl)cc1\n\n\n","Clc1ccc(c(c1)Cl)O","Oc1ccc(cc1Cl)Cl","",1,"2,4-DICHLOROPHENOL(1)","120-83-2(1)","1365","High Reliability"]
[2991,"Oc1cc(Cl)cc(Cl)c1\n\n\n","Oc1cc(Cl)cc(c1)Cl","Oc1cc(cc(c1)Cl)Cl","",1,"3,5-DICHLOROPHENOL(1)","591-35-5(1)","2303","High Reliability"]
[2992,"Oc1c(Cl)cccc1Cl\n\n\n","Clc1cccc(c1O)Cl","Oc1c(cccc1Cl)Cl","",1,"2,6-DICHLOROPHENOL(1)","87-65-0(1)","594","High Reliability"]
[2993,"Oc1cccc(Cl)c1Cl\n\n\n","Clc1c(O)cccc1Cl","Oc1cccc(c1Cl)Cl","",1,"2,3-DICHLOROPHENOL(1)","576-24-9(1)","2211","High Reliability"]
[2994,"Oc1ccc(Cl)c(Cl)c1\n\n\n","Oc1ccc(c(c1)Cl)Cl","Oc1ccc(c(c1)Cl)Cl","",1,"3,4-DICHLOROPHENOL(1)","95-77-2(1)","757","High Reliability"]
[2995,"Nc1c(Cl)cc(Cl)cc1Cl\n\n\n","Clc1cc(Cl)c(c(c1)Cl)N","Nc1c(cc(cc1Cl)Cl)Cl","",1,"2,4,6-TRICHLOROANILINE(1)","634-93-5(1)","2588","High Reliability"]
[2996,"Fc1cc(Cl)ccc1\n\n\n","Fc1cccc(c1)Cl","Fc1cccc(c1)Cl","",1,"M-CHLOROFLUOROBENZENE(1)","625-98-9(1)","2522","High Reliability"]
[2997,"Fc1c(Cl)cccc1\nFc1ccccc1Cl\n\n","Fc1ccccc1Cl","Fc1ccccc1Cl","",1,"1-CHLORO-2-FLUOROBENZENE(1)","348-51-6(1)","1746","High Reliability"]
[2998,"Clc1ccc(I)cc1\n\n\n","Clc1ccc(cc1)I","c1cc(ccc1Cl)I","",1,"4-CHLOROIODOBENZENE(1)","637-87-6(1)","2599","High Reliability"]
[2999,"Clc1cc(I)ccc1\n\n\n","Clc1cccc(c1)I","c1cc(cc(c1)I)Cl","",1,"3-CHLOROIODOBENZENE(1)","625-99-0(1)","2523","High Reliability"]
[3000,"Clc1c(I)cccc1\nClc1ccccc1I\n\n","Clc1ccccc1I","c1ccc(c(c1)Cl)I","",1,"2-CHLOROIODOBENZENE(1)","615-41-8(1)","2434","High Reliability"]
[3001,"ClS(=O)(=O)c1ccc(I)cc1\n\n\n","Ic1ccc(cc1)S(=O)(=O)Cl","O=S(=O)(c1ccc(cc1)I)Cl","",1,"Benzenesulfonyl chloride, 4-iodo-(1)","98-61-3(1)","821","High Reliability"]
[3002,"[O-][N+](=O)c1ccc(Cl)cc1\n\n\n","Clc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1)Cl","",1,"P-CHLORONITROBENZENE(1)","100-00-5(1)","866","High Reliability"]
[3003,"[O-][N+](=O)c1cccc(Cl)c1\n\n\n","Clc1cccc(c1)[N+](=O)[O-]","O=[N+]([O-])c1cccc(c1)Cl","",1,"3-CHLORO-NITROBENZENE(1)","121-73-3(1)","1378","High Reliability"]
[3004,"[O-][N+](=O)c1c(Cl)cccc1\n[O-][N+](=O)c1ccccc1Cl\n\n","[O-][N+](=O)c1ccccc1Cl","O=[N+]([O-])c1ccccc1Cl","",1,"2-CHLORO-1-NITROBENZENE(1)","88-73-3(1)","619","High Reliability"]
[3005,"Oc1c(cc(Cl)cc1)[N+]([O-])=O\nOc1ccc(Cl)cc1[N+]([O-])=O\n\n","Clc1ccc(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(ccc1(O))Cl","",1,"4-CHLORO-2-NITROPHENOL(1)","89-64-5(1)","635","High Reliability"]
[3006,"Fc1ccc(F)cc1\n\n\n","Fc1ccc(cc1)F","Fc1ccc(F)cc1","",1,"P-DIFLUOROBENZENE(1)","540-36-3(1)","2064","High Reliability"]
[3007,"Fc1cc(F)ccc1\n\n\n","Fc1cccc(c1)F","Fc1cccc(F)c1","",1,"M-DIFLUOROBENZENE(1)","372-18-9(1)","1762","High Reliability"]
[3008,"Fc1c(F)cccc1\nFc1ccccc1F\n\n","Fc1ccccc1F","Fc1ccccc1(F)","",1,"1,2-DIFLUOROBENZENE(1)","367-11-3(1)","1757","High Reliability"]
[3009,"NC1=NC2=NC=NC2C(=N1)C(F)(F)F\nNc1[nH]c(c-2ncnc2n1)C(F)(F)F\nNc1nc2nc[nH]c2c(n1)C(F)(F)F\n","NC1=NC2=NC=NC2C(=N1)C(F)(F)F","FC(F)(F)C2=NC(=NC1=NC=NC12)N","",1,"1H-Purin-2-amine, 6-(trifluoromethyl)-(1)","2993-20-6(1)","3310","Medium Reliability"]
[3010,"Fc1ccc(I)cc1\n\n\n","Fc1ccc(cc1)I","Fc1ccc(cc1)I","",1,"Benzene, 1-fluoro-4-iodo-(1)","352-34-1(1)","1748","High Reliability"]
[3011,"Oc1c(ccc(F)c1)[N+]([O-])=O\nOc1cc(F)ccc1[N+]([O-])=O\n\n","Fc1ccc(c(c1)O)[N+](=O)[O-]","O=[N+]([O-])c1ccc(F)cc1(O)","",1,"5-FLUORO-2-NITROPHENOL(1)","446-36-6(1)","1791","High Reliability"]
[3012,"Ic1ccc(I)cc1\n\n\n","Ic1ccc(cc1)I","c1cc(ccc1I)I","",1,"1,4-DIIODOBENZENE(1)","624-38-4(1)","2504","High Reliability"]
[3013,"Ic1cc(I)ccc1\n\n\n","Ic1cccc(c1)I","c1cc(cc(c1)I)I","",1,"1,3-DIIODOBENZENE(1)","626-00-6(1)","2524","High Reliability"]
[3014,"Ic1c(I)cccc1\nIc1ccccc1I\n\n","Ic1ccccc1I","c1ccc(c(c1)I)I","",1,"1,2-DIIODOBENZENE(1)","615-42-9(1)","2435","High Reliability"]
[3015,"N#Cc1cnccc1\n\n\n","N#Cc1cccnc1","N#Cc1cnccc1","",1,"3-CYANOPYRIDINE(1)","100-54-9(1)","885","High Reliability"]
[3016,"N#Cc1ccncc1\n\n\n","N#Cc1ccncc1","N#Cc1ccncc1","",1,"4-CYANOPYRIDINE(1)","100-48-1(1)","882","High Reliability"]
[3017,"[O-][N+](=O)c1ccc(cc1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1)[N+](=O)[O-]","",1,"P-DINITROBENZENE(1)","100-25-4(1)","872","High Reliability"]
[3018,"[O-][N+](=O)c1cc(ccc1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cccc(c1)[N+](=O)[O-]","O=[N+]([O-])c1cccc(c1)[N+](=O)[O-]","",1,"1,3-DINITROBENZENE(1)","99-65-0(1)","853","High Reliability"]
[3019,"[O-][N+](=O)c1c(cccc1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccccc1[N+](=O)[O-]","O=[N+]([O-])c1ccccc1[N+](=O)[O-]","",1,"O-DINITROBENZENE(1)","528-29-0(1)","2005","High Reliability"]
[3020,"Oc1cc(c(cc1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]","",1,"3,4-DINITROPHENOL(1)","577-71-9(1)","2215","High Reliability"]
[3021,"Oc1c(cc(cc1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1ccc(O)c(c1)[N+](=O)[O-]","",1,"2,4-DINITROPHENOL(1)","51-28-5(1)","42","High Reliability"]
[3022,"Oc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","Oc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(O)cc(c1)[N+](=O)[O-]","",1,"3,5-DINITROPHENOL(1)","586-11-8(1)","2256","High Reliability"]
[3023,"Oc1c(ccc(c1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-]","O=[N+]([O-])c1ccc(c(O)c1)[N+](=O)[O-]","",1,"2,5-DINITROPHENOL(1)","329-71-5(1)","1737","High Reliability"]
[3024,"Oc1c(cccc1[N+]([O-])=O)[N+]([O-])=O\n\n\n","Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cccc(c1(O))[N+](=O)[O-]","",1,"2,6-DINITROPHENOL(1)","573-56-8(1)","2206","High Reliability"]
[3025,"Oc1cc(O)c(cc1[N+]([O-])=O)[N+]([O-])=O\n\n\n","Oc1cc(O)c(cc1[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(c(O)cc1(O))[N+](=O)[O-]","",1,"1,3-Benzenediol, 4,6-dinitro-(1)","616-74-0(1)","2449","High Reliability"]
[3026,"c1cnc2ncncc2n1\n\n\n","c1ncc2c(n1)nccn2","n1cnc2nccnc2(c1)","",1,"PTERIDINE(1)","91-18-9(1)","665","High Reliability"]
[3027,"O=c1nc[nH]c2nccnc12\nOc1ncnc2nccnc12\n\n","O=c1nc[nH]c2c1nccn2","O=C1N=CNc2nccnc12","",1,"4-Hydroxypteridine(1)","700-47-0(1)","2648","Medium Reliability"]
[3028,"Oc1nc2nccnc2c(O)n1\nO=c1[nH]c(=O)c2nccnc2[nH]1\n\n","Oc1nc2nccnc2c(n1)O","Oc1nc(O)c2nccnc2(n1)","",1,"Lumazine(1)","487-21-8(1)","1865","High Reliability"]
[3029,"S=c1nc[nH]c2nccnc12\n\n\n","S=c1nc[nH]c2c1nccn2","n1ccnc2c1NC=NC2=S","",1,"4(1H)-Pteridinethione(1)","65882-61-3(1)","5054","Medium Reliability"]
[3030,"O=C1C=CC(=O)C=C1\n\n\n","O=C1C=CC(=O)C=C1","O=C1C=CC(=O)C=C1","",1,"2,5-CYCLOHEXADIENE-1,4-DIONE(1)","106-51-4(1)","1005","High Reliability"]
[3031,"OC(=O)c1ccc(o1)C(O)=O\n\n\n","OC(=O)c1ccc(o1)C(=O)O","O=C(O)c1oc(cc1)C(=O)O","",1,"2,5-Furandicarboxylic acid(1)","3238-40-2(1)","3355","High Reliability"]
[3032,"Brc1ccccc1\n\n\n","Brc1ccccc1","c1ccc(cc1)Br","",1,"BROMOBENZENE(1)","108-86-1(1)","1106","High Reliability"]
[3033,"Nc1c(Br)ccc(c1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)N)Br","O=[N+]([O-])c1ccc(c(N)c1)Br","",1,"Benzenamine, 2-bromo-5-nitro-(1)","10403-47-1(1)","3917","High Reliability"]
[3034,"Oc1ccc(Br)cc1\n\n\n","Oc1ccc(cc1)Br","Oc1ccc(cc1)Br","",1,"P-BROMOPHENOL(1)","106-41-2(1)","996","High Reliability"]
[3035,"Oc1cc(Br)ccc1\n\n\n","Oc1cccc(c1)Br","Oc1cccc(c1)Br","",1,"M-BROMOPHENOL(1)","591-20-8(1)","2299","High Reliability"]
[3036,"Clc1ccccc1\n\n\n","Clc1ccccc1","c1ccc(cc1)Cl","",1,"CHLOROBENZENE(1)","108-90-7(1)","1110","High Reliability"]
[3037,"Nc1ccc(Cl)cc1Cl\n\n\n","Clc1ccc(c(c1)Cl)N","Nc1ccc(cc1Cl)Cl","",1,"2,4-DICHLOROANILINE(1)","554-00-7(1)","2139","High Reliability"]
[3038,"Nc1cc(Cl)cc(Cl)c1\n\n\n","Nc1cc(Cl)cc(c1)Cl","Nc1cc(cc(c1)Cl)Cl","",1,"3,5-DICHLOROANILINE(1)","626-43-7(1)","2528","High Reliability"]
[3039,"Nc1cc(Cl)c(Cl)cc1\n\n\n","Nc1ccc(c(c1)Cl)Cl","Nc1ccc(c(c1)Cl)Cl","",1,"3,4-DICHLOROANILINE(1)","95-76-1(1)","756","High Reliability"]
[3040,"Nc1c(cc(Cl)cc1)[N+]([O-])=O\nNc1ccc(Cl)cc1[N+]([O-])=O\n\n","Clc1ccc(c(c1)[N+](=O)[O-])N","O=[N+]([O-])c1cc(ccc1(N))Cl","",1,"4-CHLORO-2-NITROANILINE(1)","89-63-4(1)","634","High Reliability"]
[3041,"Oc1ccc(Cl)cc1\n\n\n","Oc1ccc(cc1)Cl","Oc1ccc(cc1)Cl","",1,"4-CHLOROPHENOL(1)","106-48-9(1)","1002","High Reliability"]
[3042,"Oc1cc(Cl)ccc1\n\n\n","Oc1cccc(c1)Cl","Oc1cccc(c1)Cl","",1,"3-CHLOROPHENOL(1)","108-43-0(1)","1085","High Reliability"]
[3043,"Oc1ccccc1Cl\n\n\n","Oc1ccccc1Cl","Oc1ccccc1Cl","",2,"2-CHLOROPHENOL(1), CHLOROPHENOL(1)","95-57-8(1), 25167-80-0(1)","751, 4381","High Reliability","Checked on PubChem"]
[3044,"Oc1cc(Cl)c(O)cc1\n\n\n","Oc1ccc(c(c1)Cl)O","Oc1ccc(O)c(c1)Cl","",1,"CHLOROHYDROQUINONE(1)","615-67-8(1)","2439","High Reliability"]
[3045,"Fc1ccccc1\n\n\n","Fc1ccccc1","Fc1ccccc1","",1,"FLUOROBENZENE(1)","462-06-6(1)","1807","High Reliability"]
[3046,"Ic1ccccc1\n\n\n","Ic1ccccc1","c1ccc(cc1)I","",1,"IODOBENZENE(1)","591-50-4(1)","2305","High Reliability"]
[3047,"Nc1c(I)ccc(c1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)N)I","O=[N+]([O-])c1ccc(c(N)c1)I","",1,"Benzenamine, 2-iodo-5-nitro-(1)","5459-50-7(1)","3617","High Reliability"]
[3048,"O=Ic1ccccc1\n\n\n","O=[I]c1ccccc1","O=Ic1ccccc1","",1,"Benzene, iodosyl-(1)","536-80-1(1)","2044","High Reliability"]
[3049,"O=I(=O)c1ccccc1\n\n\n","O=[I](=O)c1ccccc1","[ERROR]","Conversion from SMILES: unable to generate SMILES string (Unable to run canonical labeler for the SMILES (For input string: \"-135300-4\"))",1,"Benzene, iodyl-(1)","696-33-3(1)","2642","Medium Reliability"]
[3050,"[nH]1nnc2c1cccc2\n[nH]1nnc2ccccc12\n[nH]1nc2ccccc2n1\n","c1ccc2c(c1)[nH]nn2","n1nc2ccccc2([nH]1)","",1,"1H-BENZOTRIAZOLE(1)","95-14-7(1)","739","High Reliability"]
[3051,"[O-][N+](=O)Nc1ccc(cc1)[N+]([O-])=O\n\n\n","[O-][N+](=O)Nc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])Nc1ccc(cc1)[N+](=O)[O-]","",1,"Benzenamine, N,4-dinitro-(1)","20020-13-7(1)","4246","Medium Reliability"]
[3052,"Nc1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(N)cc(c1(O))[N+](=O)[O-]","",1,"Phenol, 4-amino-2,6-dinitro-(1)","17973-92-1(1)","4175","High Reliability"]
[3053,"Nc1c(O)c(cc(c1)[N+]([O-])=O)[N+]([O-])=O\nNc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O\n\n","[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(N)c(O)c(c1)[N+](=O)[O-]","",1,"2-AMINO-4,6-DINITROPHENOL(1)","96-91-3(1)","787","High Reliability"]
[3054,"Nc1cc2c(snn2)cc1\nNc1ccc2snnc2c1\n\n","Nc1ccc2c(c1)nns2","n1nsc2ccc(N)cc12","",1,"1,2,3-Benzothiadiazol-5-amine(1)","1753-29-3(1)","2981","Medium Reliability"]
[3055,"Nc1nc2nccnc2cn1\nNc1ncc2nccnc2n1\n\n","Nc1ncc2c(n1)nccn2","n1ccnc2cnc(nc12)N","",1,"2-Pteridinamine(1)","700-81-2(1)","2649","Medium Reliability"]
[3056,"Nc1nc(=O)c2c([nH]1)[nH]c(=O)c(=O)[nH]2\n\n\n","Nc1nc(=O)c2c([nH]1)[nH]c(=O)c(=O)[nH]2","O=C1N=C(N)NC=2NC(=O)C(=O)NC1=2","",1,"Leucopterin(1)","492-11-5(1)","1879","High Reliability"]
[3057,"OC(=O)c1ccccn1\n\n\n","OC(=O)c1ccccn1","O=C(O)c1ncccc1","",1,"PICOLINIC ACID(1)","98-98-6(1)","834","High Reliability"]
[3058,"[O-][N+](=O)c1ccccc1\n\n\n","[O-][N+](=O)c1ccccc1","O=[N+]([O-])c1ccccc1","",1,"NITROBENZENE(1)","98-95-3(1)","832","Medium Reliability"]
[3059,"OC(=O)c1c[n+]([O-])ccc1\nOC(=O)C1=C[NH+2]([O-])[CH-]C=C1\n\n","[O-][NH+2]1[CH-]C=CC(=C1)C(=O)O","O=C(O)C=1C=C[CH-][NH+2]([O-])C=1","",1,"N-OXIDENICOTINIC ACID(1)","2398-81-4(1)","3192","Medium Reliability"]
[3060,"Oc1cccc(c1)[N+]([O-])=O\n\n\n","Oc1cccc(c1)[N+](=O)[O-]","O=[N+]([O-])c1cccc(O)c1","",1,"3-NITROPHENOL(1)","554-84-7(1)","2143","High Reliability"]
[3061,"Oc1ccc(cc1)[N+]([O-])=O\n\n\n","Oc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(O)cc1","",1,"4-NITROPHENOL(1)","100-02-7(1)","868","High Reliability"]
[3062,"Oc1c(cccc1)[N+]([O-])=O\nOc1ccccc1[N+]([O-])=O\n\n","[O-][N+](=O)c1ccccc1O","O=[N+]([O-])c1ccccc1(O)","",1,"2-NITROPHENOL(1)","88-75-5(1)","621","High Reliability"]
[3063,"Oc1cccc(O)c1[N+]([O-])=O\n\n\n","[O-][N+](=O)c1c(O)cccc1O","O=[N+]([O-])c1c(O)cccc1(O)","",1,"2-NITRORESORCINOL(1)","601-89-8(1)","2367","High Reliability"]
[3064,"SC(=O)c1cnccc1\n\n\n","SC(=O)c1cccnc1","O=C(c1cnccc1)S","",1,"3-Pyridinecarbothioic acid(1)","51087-03-7(1)","4800","Medium Reliability"]
[3065,"c1ccccc1\n\n\n","c1ccccc1","c1ccccc1","",1,"BENZENE(1)","71-43-2(1)","286","High Reliability"]
[3066,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl\n\n\n","ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl","C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl","",4,"GAMMA-HEXACHLOROCYCLOHEXANE(1), ALPHA-HEXACHLOROCYCLOHEXANE(1), BETA-HEXACHLOROCYCLOHEXANE(1), DELTA-HEXACHLOROCYCLOHEXANE(1)","58-89-9(1), 319-84-6(1), 319-85-7(1), 319-86-8(1)","159, 1725, 1726, 1727","High Reliability","Stereochemistry removed"]
[3067,"Nc1ccc(Cl)cc1\n\n\n","Nc1ccc(cc1)Cl","Nc1ccc(cc1)Cl","",1,"4-CHLOROANILINE(1)","106-47-8(1)","1001","High Reliability"]
[3068,"Nc1cc(Cl)ccc1\n\n\n","Nc1cccc(c1)Cl","Nc1cccc(c1)Cl","",1,"3-CHLOROANILINE(1)","108-42-9(1)","1084","High Reliability"]
[3069,"Nc1c(Cl)cccc1\nNc1ccccc1Cl\n\n","Nc1ccccc1Cl","Nc1ccccc1Cl","",1,"2-CHLOROANILINE(1)","95-51-2(1)","747","High Reliability"]
[3070,"Cn1cc(I)ccc1=O\n\n\n","Ic1ccc(=O)n(c1)C","O=C1C=CC(=CN1C)I","",1,"2(1H)-Pyridinone, 5-iodo-1-methyl-(1)","60154-05-4(1)","4982","Medium Reliability"]
[3071,"NC(=O)c1cccnc1\n\n\n","NC(=O)c1cccnc1","O=C(N)c1cnccc1","",1,"NICOTINAMIDE(1)","98-92-0(1)","831","High Reliability"]
[3072,"NC(=O)c1ccccn1\n\n\n","NC(=O)c1ccccn1","O=C(N)c1ncccc1","",1,"2-PYRIDINECARBOXAMIDE(1)","1452-77-3(1)","2904","High Reliability"]
[3073,"Nc1ccc(cc1)[N+]([O-])=O\n\n\n","Nc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(N)cc1","",1,"4-NITROANILINE(1)","100-01-6(1)","867","High Reliability"]
[3074,"Nc1cc(ccc1)[N+]([O-])=O\nNc1cccc(c1)[N+]([O-])=O\n\n","Nc1cccc(c1)[N+](=O)[O-]","O=[N+]([O-])c1cccc(N)c1","",1,"3-NITROANILINE(1)","99-09-2(1)","839","High Reliability"]
[3075,"Nc1ccccc1[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccccc1N","O=[N+]([O-])c1ccccc1(N)","",1,"2-NITROANILINE(1)","88-74-4(1)","620","High Reliability"]
[3076,"OC(=O)C=Cc1c[nH]cn1\nOC(=O)C=Cc1[nH]cnc1\n\n","OC(=O)C=Cc1c[nH]cn1","O=C(O)C=Cc1nc[nH]c1","",1,"2-Propenoic acid, 3-(1H-imidazol-4-yl)-(1)","104-98-3(1)","963","Medium Reliability","Stereochemistry removed"]
[3077,"[O-][N+](=O)Nc1ccccc1\n\n\n","[O-][N+](=O)Nc1ccccc1","O=[N+]([O-])Nc1ccccc1","",1,"Benzenamine, N-nitro-(1)","645-55-6(1)","2612","High Reliability"]
[3078,"Nc1c(O)ccc(c1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)N)O","O=[N+]([O-])c1ccc(O)c(N)c1","",1,"2-AMINO-4-NITROPHENOL(1)","99-57-0(1)","850","High Reliability"]
[3079,"CC(=O)OC1C(=O)NC(=O)NC1=O\n\n\n","O=C1NC(=O)C(C(=O)N1)OC(=O)C","O=C1NC(=O)C(OC(=O)C)C(=O)N1","",1,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)-(1)","53039-86-4(1)","4868","High Reliability"]
[3080,"Cc1c2[nH]cnc2ncn1\nCc1[nH]cnc-2ncnc12\n\n","Cc1ncnc2c1[nH]cn2","n1cnc(c2[nH]cnc12)C","",1,"1H-Purine, 6-methyl-(1)","2004-03-7(1)","3063","High Reliability"]
[3081,"Cc1nc2ncncc2[nH]1\nCc1nc-2c[nH]cnc2n1\n\n","Cc1nc2c([nH]1)cncn2","n1cnc2nc([nH]c2(c1))C","",1,"1H-Purine, 8-methyl-(1)","934-33-8(1)","2756","High Reliability"]
[3082,"Cn1c2c(cnc1=O)nc(O)[nH]2\nCn1c(=O)ncc2c1[nH]c(=O)[nH]2\n\n","Oc1nc2c([nH]1)n(C)c(=O)nc2","O=C2N=Cc1nc(O)[nH]c1N2C","",1,"Purine-2,8(3H,9H)-dione, 3-methyl-(1)","89418-24-6(1)","5338","Medium Reliability"]
[3083,"Cn1c(=O)[nH]c2c([nH]c(=O)[nH]2)c1=O\n\n\n","O=c1[nH]c2c([nH]1)c(=O)n(c(=O)[nH]2)C","O=C1NC=2NC(=O)N(C(=O)C=2(N1))C","",1,"1-METHYL URIC ACID(1)","708-79-2(1)","2651","Medium Reliability"]
[3084,"[O-][N+](=O)c1cnc(s1)N2CCNC2=O\n\n\n","O=C1NCCN1c1ncc(s1)[N+](=O)[O-]","O=C1NCCN1c2ncc([N+](=O)[O-])s2","",1,"NIRIDAZOLE(1)","61-57-4(1)","199","High Reliability"]
[3085,"NNc1ncnc2c1nccn2\nNN=c1nc[nH]c2nccnc12\n\n","NNc1ncnc2c1nccn2","n1cnc(NN)c2nccnc12","",1,"4(1H)-Pteridinone, hydrazone(1)","77632-11-2(1)","5243","Medium Reliability"]
[3086,"Oc1ccccc1\n\n\n","Oc1ccccc1","Oc1ccccc1","",1,"PHENOL(1)","108-95-2(1)","1114","High Reliability"]
[3087,"Oc1ccc(O)cc1.O=C1C=CC(=O)C=C1\nOc1ccc(O)cc1\n\n","Oc1ccc(cc1)O","Oc1ccc(O)cc1","",2,"QUINHYDRONE(1), HYDROQUINONE(1)","106-34-3(1), 123-31-9(1)","990, 1412","High Reliability","Organic counterion"]
[3088,"Oc1cc(O)ccc1\n\n\n","Oc1cccc(c1)O","Oc1cccc(O)c1","",1,"RESORCINOL(1)","108-46-3(1)","1088","High Reliability"]
[3089,"Oc1c(O)cccc1\nOc1ccccc1O\n\n","Oc1ccccc1O","Oc1ccccc1(O)","",1,"CATECHOL(1)","120-80-9(1)","1363","High Reliability"]
[3090,"Cc1ccc(o1)C(O)=O\n\n\n","Cc1ccc(o1)C(=O)O","O=C(O)c1oc(cc1)C","",1,"2-Furancarboxylic acid, 5-methyl-(1)","1917-15-3(1)","3022","High Reliability"]
[3091,"CC1=CC(=O)CC(=O)O1\n\n\n","O=C1CC(=O)C=C(O1)C","O=C1OC(=CC(=O)C1)C","",1,"2H-Pyran-2,4(3H)-dione, 6-methyl-(1)","541-98-0(1)","2088","High Reliability"]
[3092,"Cc1c(O)c(=O)cco1\n\n\n","O=c1ccoc(c1O)C","O=C1C=COC(=C1(O))C","",1,"4H-PYRAN-4-ONE, 3-HYDROXY-2-METHYL-(1)","118-71-8(1)","1322","High Reliability"]
[3093,"Oc1cc(O)cc(O)c1\n\n\n","Oc1cc(O)cc(c1)O","Oc1cc(O)cc(O)c1","",1,"1,3,5-TRIHYDROXYBENZENE(1)","108-73-6(1)","1098","High Reliability"]
[3094,"Oc1cccc(O)c1O\n\n\n","Oc1c(O)cccc1O","Oc1cccc(O)c1(O)","",1,"1,2,3-TRIHYDROXYBENZENE(1)","87-66-1(1)","595","High Reliability"]
[3095,"OC(=O)C=CC=CC(O)=O\n\n\n","OC(=O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O","",2,"2,4-Hexadienedioic acid,(1), 2,4-HEXADIENEDIOIC ACID, (E,E)-(1)","505-70-4(1), 3588-17-8(1)","1934, 3402","Medium Reliability, High Reliability","Stereochemistry removed"]
[3096,"OC(=O)CC(=CC(O)=O)C(O)=O\n\n\n","OC(=O)CC(=CC(=O)O)C(=O)O","O=C(O)C=C(C(=O)O)CC(=O)O","",2,"1-Propene-1,2,3-tricarboxylic acid(1), 1-Propene-1,2,3-tricarboxylic acid, (Z)-(1)","499-12-7(1), 585-84-2(1)","1905, 2253","High Reliability","Stereochemistry removed"]
[3097,"CC(=O)c1cccs1\n\n\n","CC(=O)c1cccs1","O=C(c1cccs1)C","",1,"2-ACETYLTHIOPHENE(1)","88-15-3(1)","611","High Reliability"]
[3098,"Sc1ccccc1\n\n\n","Sc1ccccc1","c1ccc(cc1)S","",1,"THIOPHENOL(1)","108-98-5(1)","1115","High Reliability"]
[3099,"CNC(=O)N(C)c1nnc(s1)C(F)(F)F\n\n\n","CNC(=O)N(c1nnc(s1)C(F)(F)F)C","O=C(NC)N(c1nnc(C(F)(F)F)s1)C","",1,"THIAZAFLURON(1)","25366-23-8(1)","4398","High Reliability"]
[3100,"CCOC(=O)CC(=O)C(F)(F)F\n\n\n","CCOC(=O)CC(=O)C(F)(F)F","O=C(OCC)CC(=O)C(F)(F)F","",1,"Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl est(1)","372-31-6(1)","1763","Medium Reliability"]
[3101,"Cc1ccncc1\n\n\n","Cc1ccncc1","n1ccc(cc1)C","",1,"4-METHYLPYRIDINE(1)","108-89-4(1)","1109","High Reliability"]
[3102,"Cc1cccnc1\n\n\n","Cc1cccnc1","n1cccc(c1)C","",1,"3-METHYLPYRIDINE(1)","108-99-6(1)","1116","High Reliability"]
[3103,"Cc1ncccc1\n\n\n","Cc1ccccn1","n1ccccc1C","",1,"2-METHYLPYRIDINE(1)","109-06-8(1)","1120","High Reliability"]
[3104,"Nc1ccccc1\n\n\n","Nc1ccccc1","Nc1ccccc1","",1,"ANILINE(1)","62-53-3(1)","208","High Reliability"]
[3105,"NNC(=O)c1ccncc1\n\n\n","NNC(=O)c1ccncc1","O=C(NN)c1ccncc1","",1,"ISONIAZID(1)","54-85-3(1)","79","High Reliability"]
[3106,"NNC(=O)c1cccnc1\n\n\n","NNC(=O)c1cccnc1","O=C(NN)c1cnccc1","",1,"3-Pyridinecarboxylic acid, hydrazide(1)","553-53-7(1)","2136","High Reliability"]
[3107,"Cc1cc[n+]([O-])cc1\n\n\n","[O-][n+]1ccc(cc1)C","[O-][n+]1ccc(cc1)C","",1,"4-METHYL-N-OXIDEPYRIDINE(1)","1003-67-4(1)","2793","Medium Reliability"]
[3108,"Cc1ccc[n+]([O-])c1\nCC1=CC=C[NH+2]([O-])[CH-]1\n\n","[O-][NH+2]1C=CC=C([CH-]1)C","[O-][NH+2]1C=CC=C([CH-]1)C","",1,"3-METHYL-N-OXIDEPYRIDINE(1)","1003-73-2(1)","2794","Medium Reliability"]
[3109,"Cn1ccccc1=O\n\n\n","O=c1ccccn1C","O=C1C=CC=CN1C","",1,"2(1H)-PYRIDINONE, 1-METHYL-(1)","694-85-9(1)","2641","High Reliability"]
[3110,"O=C1CCCC1C#N\n\n\n","N#CC1CCCC1=O","N#CC1C(=O)CCC1","",1,"Cyclopentanecarbonitrile, 2-oxo-(1)","2941-29-9(1)","3299","High Reliability"]
[3111,"Nc1ccc(O)cc1\n\n\n","Nc1ccc(cc1)O","Oc1ccc(N)cc1","",1,"PHENOL, 4-AMINO-(1)","123-30-8(1)","1411","High Reliability"]
[3112,"Nc1cc(O)ccc1\n\n\n","Nc1cccc(c1)O","Oc1cccc(N)c1","",1,"PHENOL, 3-AMINO-(1)","591-27-5(1)","2302","High Reliability"]
[3113,"Nc1c(O)cccc1\nNOc1ccccc1\nNc1ccccc1O\n","Nc1ccccc1O","Oc1ccccc1(N)","",1,"o-aminophenol(1)","95-55-6(1)","750","High Reliability","Name verified in PubChem"]
[3114,"OCc1ccncc1\n\n\n","OCc1ccncc1","OCc1ccncc1","",1,"4-PYRIDINEMETHANOL(1)","586-95-8(1)","2261","High Reliability"]
[3115,"OCc1cccnc1\n\n\n","OCc1cccnc1","OCc1cnccc1","",1,"3-PYRIDINEMETHANOL(1)","100-55-0(1)","886","High Reliability"]
[3116,"ONc1ccccc1\n\n\n","ONc1ccccc1","ONc1ccccc1","",1,"PHENYLHYDROXYLAMINE(1)","100-65-2(1)","891","High Reliability"]
[3117,"COC(=O)c1c(N)ccs1\n\n\n","COC(=O)c1sccc1N","O=C(OC)c1c(N)ccs1","",1,"METHYL 3-AMINOTHIOPHENE-2-CARBOXYLATE(1)","22288-78-4(1)","4317","High Reliability"]
[3118,"NS(=O)(=O)c1ccccc1\n\n\n","NS(=O)(=O)c1ccccc1","O=S(=O)(N)c1ccccc1","",1,"BENZENESULFONAMIDE(1)","98-10-2(1)","812","High Reliability"]
[3119,"Cc1csc(=S)n1CC(O)=O\n\n\n","Cc1csc(=S)n1CC(=O)O","O=C(O)CN1C(=CSC1=S)C","",1,"3(2H)-Thiazoleacetic acid, 4-methyl-2-thioxo-(1)","31090-12-7(1)","4519","Medium Reliability"]
[3120,"Nc1ccc(cc1)S(O)(=O)=O\n\n\n","Nc1ccc(cc1)S(=O)(=O)O","O=S(=O)(O)c1ccc(N)cc1","",1,"BENZENESULFONIC ACID, 4-AMINO-(1)","121-57-3(1)","1375","High Reliability"]
[3121,"Nc1cc(ccc1O)S(O)(=O)=O\n\n\n","Oc1ccc(cc1N)S(=O)(=O)O","O=S(=O)(O)c1ccc(O)c(N)c1","",1,"2-Aminophenol-4-sulfonic acid(1)","98-37-3(1)","815","High Reliability"]
[3122,"OP(O)(=O)c1ccccc1\n\n\n","OP(=O)(c1ccccc1)O","O=P(O)(O)c1ccccc1","",1,"PHENYLPHOSPHONIC ACID(1)","1571-33-1(1)","2930","High Reliability"]
[3123,"C1C=CCC=C1\n\n\n","C1=CCC=CC1","C1=CCC=CC1","",1,"1,4-CYCLOHEXADIENE(1)","628-41-1(1)","2554","High Reliability"]
[3124,"CCC(CC#N)C#N\n\n\n","N#CCC(C#N)CC","N#CCC(C#N)CC","",1,"Butanedinitrile, ethyl-(1)","17611-82-4(1)","4162","High Reliability"]
[3125,"Nc1ccc(N)cc1\n\n\n","Nc1ccc(cc1)N","Nc1ccc(N)cc1","",1,"1,4-BENZENEDIAMINE(1)","106-50-3(1)","1004","High Reliability"]
[3126,"Nc1cc(N)ccc1\n\n\n","Nc1cccc(c1)N","Nc1cccc(N)c1","",1,"1,3-BENZENEDIAMINE(1)","108-45-2(1)","1087","High Reliability"]
[3127,"Nc1c(N)cccc1\nNc1ccccc1N\n\n","Nc1ccccc1N","Nc1ccccc1(N)","",1,"1,2-BENZENEDIAMINE(1)","95-54-5(1)","749","High Reliability"]
[3128,"N#CCCCCC#N\n\n\n","N#CCCCCC#N","N#CCCCCC#N","",1,"ADIPONITRILE(1)","111-69-3(1)","1226","High Reliability"]
[3129,"NCc1ccncc1\n\n\n","NCc1ccncc1","n1ccc(cc1)CN","",1,"4-PYRIDINEMETHANEAMINE(1)","3731-53-1(1)","3422","High Reliability"]
[3130,"NCc1ccccn1\n\n\n","NCc1ccccn1","n1ccccc1CN","",1,"2-PYRIDINEMETHANEAMINE(1)","3731-51-9(1)","3421","High Reliability"]
[3131,"NNc1ccccc1\n[H+].[Cl-].NNc1ccccc1\n\n","NNc1ccccc1","NNc1ccccc1","",1,"PHENYL HYDRAZINE(1)","100-63-0(1)","889","High Reliability","Differences in counterions"]
[3132,"CCc1c[nH]c(=O)[nH]c1=O\n\n\n","CCc1c[nH]c(=O)[nH]c1=O","O=C1NC=C(C(=O)N1)CC","",1,"2,4(1H,3H)-Pyrimidinedione, 5-ethyl-(1)","4212-49-1(1)","3472","High Reliability"]
[3133,"Nc1ccc(cc1)S(N)(=O)=O\n\n\n","Nc1ccc(cc1)S(=O)(=O)N","O=S(=O)(N)c1ccc(N)cc1","",1,"SULFANILAMIDE(1)","63-74-1(1)","220","High Reliability"]
[3134,"NNc1cc(ccc1)S(O)(=O)=O\n\n\n","NNc1cccc(c1)S(=O)(=O)O","O=S(=O)(O)c1cccc(c1)NN","",1,"Benzenesulfonic acid, 3-hydrazino-(1)","138-30-7(1)","1538","High Reliability"]
[3135,"NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O\n\n\n","NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N","O=S(=O)(N)c1ccc(cc1)S(=O)(=O)N","",1,"1,4-BENZENEDISULFONAMIDE(1)","16993-45-6(1)","4127","Medium Reliability"]
[3136,"NS(=O)(=O)c1cc(ccc1)S(N)(=O)=O\n\n\n","NS(=O)(=O)c1cccc(c1)S(=O)(=O)N","O=S(=O)(N)c1cccc(c1)S(=O)(=O)N","",1,"1,3-BENZENEDISULFONAMIDE(1)","3701-01-7(1)","3418","High Reliability"]
[3137,"[H]C12OCC(O[N+]([O-])=O)C1([H])OCC2O[N+]([O-])=O\n[O-][N+](=O)OC1COC2C(COC12)O[N+]([O-])=O\n\n","[O-][N+](=O)OC1COC2C1OCC2O[N+](=O)[O-]","O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12","",1,"D-GLUCITOL, 1,4:3,6-DIANHYDRO-, DINITRATE(1)","87-33-2(1)","586","High Reliability","Stereochemistry removed"]
[3138,"CCNC(=O)Nc1ncc(s1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cnc(s1)NC(=O)NCC","O=C(Nc1ncc([N+](=O)[O-])s1)NCC","",1,"NITHIAZIDE(1)","139-94-6(1)","1551","High Reliability"]
[3139,"Cn1c(COC(N)=O)ncc1[N+]([O-])=O\n\n\n","NC(=O)OCc1ncc(n1C)[N+](=O)[O-]","O=C(OCc1ncc(n1C)[N+](=O)[O-])N","",1,"RONIDAZOLE(1)","7681-76-7(1)","3868","High Reliability"]
[3140,"CC=CC=CC(O)=O\n\n\n","CC=CC=CC(=O)O","O=C(O)C=CC=CC","",1,"SORBIC ACID(1)","110-44-1(1)","1172","High Reliability","Stereochemistry removed"]
[3141,"CC(=O)C1CCOC1=O\n\n\n","CC(=O)C1CCOC1=O","O=C1OCCC1C(=O)C","",1,"3-acetyl-4,5-dihydro-2(3H)-furanone(1)","517-23-7(1)","1975","High Reliability"]
[3142,"CCC(=O)CC(=O)C(O)=O\n\n\n","CCC(=O)CC(=O)C(=O)O","O=C(O)C(=O)CC(=O)CC","",1,"Hexanoic acid, 2,4-dioxo-(1)","4383-93-1(1)","3487","Medium Reliability"]
[3143,"CC1CC1(C(O)=O)C(O)=O\n\n\n","CC1CC1(C(=O)O)C(=O)O","O=C(O)C1(C(=O)O)(CC1(C))","",1,"1,1-Cyclopropanedicarboxylic acid, 2-methyl-(1)","10180-00-4(1)","3904","Medium Reliability"]
[3144,"COC(=O)C=CC(=O)OC\nCOC(=O)C=CC([O-])=O\n\n","COC(=O)C=CC(=O)OC","O=C(OC)C=CC(=O)OC","",1,"methylmaleate(1)","624-48-6(1)","2505","High Reliability","Stereochemistry removed, Name verified in PubChem"]
[3145,"OC(=O)CCC=CC(O)=O\nOC(=O)CC=CCC(O)=O\n\n","OC(=O)CCC=CC(=O)O","O=C(O)C=CCCC(=O)O","",2,"2-Hexenedioic acid(1), Hex-3-ene-dioic acid(1)","2583-24-6(1), 4436-74-2(1)","3244, 3497","Medium Reliability","Stereochemistry removed"]
[3146,"OC(=O)C1CCC(SS1)C(O)=O\n\n\n","OC(=O)C1CCC(SS1)C(=O)O","O=C(O)C1CCC(C(=O)O)SS1","",2,"1,2-Dithiane-3,6-dicarboxylic acid, cis-(1), 1,2-Dithiane-3,6-dicarboxylic acid, trans-(1)","28463-60-7(1), 32737-66-9(1)","4464, 4547","Medium Reliability","Stereochemistry removed"]
[3147,"[H]C1(OC(=O)C(O)=C1O)C(O)CO\nOCC(O)C1OC(=C(O)C1=O)O\nOCC(O)C1OC(=O)C(O)=C1O\nOCC(O)C1OC(=C(O)C1=O)O, [Na+].OCC(O)C1OC(=O)[C-](O)C1=O","OCC(C1OC(=O)C(=C1O)O)O","O=C1OC(C(O)=C1(O))C(O)CO","",2,"ASCORBIC ACID(1), ISOASCORBIC ACID(1)","50-81-7(1), 89-65-6(1)","33, 636","High Reliability","Differences in counterions, Stereochemistry removed"]
[3148,"OC(=O)CC(CC(O)=O)C(O)=O\n\n\n","OC(=O)C(CC(=O)O)CC(=O)O","O=C(O)CC(C(=O)O)CC(=O)O","",1,"1,2,3-Propanetricarboxylic acid(1)","99-14-9(1)","840","High Reliability"]
[3149,"OC(=O)CC(O)(CC(O)=O)C(O)=O\n[K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O\n\n","OC(=O)C(CC(=O)O)(CC(=O)O)O","O=C(O)CC(O)(C(=O)O)CC(=O)O","",2,"CITRIC ACID(1), Potassium Citrate(1)","77-92-9(1), 866-84-2(1)","427, 2719","High Reliability"]
[3150,"CCc1sccc1\n\n\n","CCc1cccs1","c1cc(CC)sc1","",1,"2-ETHYLTHIOPHENE(1)","872-55-9(1)","2725","High Reliability","Checked on PubChem, Checked on ChemID"]
[3151,"NC(=O)CC(NC(=O)CCl)C(O)=O\n\n\n","ClCC(=O)NC(C(=O)O)CC(=O)N","O=C(O)C(NC(=O)CCl)CC(=O)N","",1,"L-Asparagine, N2-(chloroacetyl)-(1)","122723-93-7(1)","5646","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[3152,"NP(N)(=O)c1ccccc1\n\n\n","NP(=O)(c1ccccc1)N","O=P(N)(N)c1ccccc1","",1,"Phosphonic diamide, P-phenyl-(1)","4707-88-4(1)","3524","High Reliability"]
[3153,"Cc1cc(C)nc(N)n1\n\n\n","Cc1cc(C)nc(n1)N","n1c(nc(cc1C)C)N","",1,"2-AMINO-4,6-DIMETHYLPYRIMIDINE(1)","767-15-7(1)","2683","High Reliability"]
[3154,"Cc1cc(N)nc(C)n1\n\n\n","Cc1cc(N)nc(n1)C","n1c(N)cc(nc1C)C","",1,"2,6-DIMETHYL-4-PYRIMIDINAMINE(1)","461-98-3(1)","1805","Medium Reliability"]
[3155,"CCc1cnc(O)[nH]c1=N\nCCc1c[nH]c(=O)nc1N\n\n","CCc1cnc([nH]c1=N)O","N=C1NC(O)=NC=C1CC","",1,"2(1H)-Pyrimidinone, 4-amino-5-ethyl-(1)","32550-24-6(1)","4538","Medium Reliability"]
[3156,"NC(Cc1cnc[nH]1)C(O)=O\nNC(Cc1c[nH]cn1)C(O)=O\n\n","NC(C(=O)O)Cc1cnc[nH]1","O=C(O)C(N)Cc1cnc[nH]1","",1,"HISTIDINE(1)","71-00-1(1)","281","High Reliability","Stereochemistry removed"]
[3157,"Cc1ncc(n1CCO)[N+]([O-])=O\n\n\n","OCCn1c(C)ncc1[N+](=O)[O-]","O=[N+]([O-])c1cnc(n1CCO)C","",1,"METRONIDAZOLE(1)","443-48-1(1)","1788","High Reliability"]
[3158,"ON=C1CCCC=C1\n\n\n","ON=C1CCCC=C1","ON=C1C=CCCC1","",2,"2-Cyclohexen-1-one, oxime, (Z)-(1), 2-Cyclohexen-1-one, oxime, (E)-(1)","2229-00-7(1), 3349-62-0(1)","3139, 3372","Medium Reliability","Stereochemistry removed"]
[3159,"CCC1(C)OC(=O)NC1=O\n\n\n","CC1(CC)OC(=O)NC1=O","O=C1OC(C(=O)N1)(C)CC","",1,"5-ETHYL-5-METHYL-2,4-OXAZOLIDINEDIONE(1)","52387-52-7(1)","4834","Medium Reliability"]
[3160,"CN1C(=O)OC(C)(C)C1=O\n\n\n","O=C1OC(C(=O)N1C)(C)C","O=C1OC(C(=O)N1C)(C)C","",1,"Trimethadione(1)","127-48-0(1)","1475","High Reliability"]
[3161,"CN1CC(CC1=O)C(O)=O\n\n\n","OC(=O)C1CC(=O)N(C1)C","O=C(O)C1CC(=O)N(C)C1","",1,"1-METHYL-4-CARBOXY-2-PYRROLIDONE(1)","42346-68-9(1)","4758","High Reliability","Checked on PubChem, Checked on ChemID"]
[3162,"OC(=O)CN(CC(O)=O)CC(O)=O\n\n\n","OC(=O)CN(CC(=O)O)CC(=O)O","O=C(O)CN(CC(=O)O)CC(=O)O","",1,"NITRILOTRIACETIC ACID(1)","139-13-9(1)","1544","High Reliability"]
[3163,"CC(=O)CC1=NCCS1\n\n\n","CC(=O)CC1=NCCS1","O=C(C)CC1=NCCS1","",1,"2-Propanone, 1-(4,5-dihydro-2-thiazolyl)-(1)","97855-56-6(1)","5410","Medium Reliability"]
[3164,"C=CCCCN=C=S\n\n\n","C=CCCCN=C=S","C(=NCCCC=C)=S","",1,"1-Pentene, 5-isothiocyanato-(1)","18060-79-2(1)","4177","High Reliability"]
[3165,"[O-][N+](=O)c1cc(Cl)c(Cl)c(Cl)c1Cl\n\n\n","Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl","O=[N+]([O-])c1cc(c(c(c1Cl)Cl)Cl)Cl","",1,"2,3,4,5-TETRACHLORONITROBENZENE(1)","879-39-0(1)","2729","High Reliability"]
[3166,"[O-][N+](=O)c1c(Cl)c(Cl)cc(Cl)c1Cl\n\n\n","Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl","O=[N+]([O-])c1c(c(cc(c1Cl)Cl)Cl)Cl","",1,"2,3,5,6-TETRACHLORONITROBENZENE(1)","117-18-0(1)","1306","High Reliability"]
[3167,"Clc1cc(Cl)c(Cl)c(Cl)c1Cl\n\n\n","Clc1cc(Cl)c(c(c1Cl)Cl)Cl","c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","",1,"PENTACHLOROBENZENE(1)","608-93-5(1)","2398","Medium Reliability"]
[3168,"Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl\n\n\n","Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl","Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","",1,"PENTACHLOROPHENOL(1)","87-86-5(1)","601","Medium Reliability"]
[3169,"CN(C)c1cc(C)nc(Cl)n1\n\n\n","Cc1cc(nc(n1)Cl)N(C)C","n1c(cc(nc1Cl)C)N(C)C","",1,"2-CHLORO-4-METHYL-6-(DIMETHYLAMINO)PYRIMIDINE(1)","535-89-7(1)","2038","Medium Reliability"]
[3170,"CN(C)c1ccncc1\nCN(C)c1cc[nH+]cc1\n\n","CN(c1ccncc1)C","n1ccc(cc1)N(C)C","",1,"4-DIMETHYLAMINOPYRIDINE(1)","1122-58-3(1)","2839","Medium Reliability"]
[3171,"NNCc1ccccc1\n[H+].[Cl-].NNCc1ccccc1\n\n","NNCc1ccccc1","NNCc1ccccc1","",1,"Benzylhydrazine(1)","555-96-4(1)","2152","High Reliability","Differences in counterions"]
[3172,"Cc1c(N)cc(cc1)S(N)(=O)=O\n\n\n","Cc1ccc(cc1N)S(=O)(=O)N","O=S(=O)(N)c1ccc(c(N)c1)C","",1,"Benzenesulfonamide, 3-amino-4-methyl-(1)","6274-28-8(1)","3725","High Reliability"]
[3173,"NCc1ccc(cc1)S(N)(=O)=O\n\n\n","NCc1ccc(cc1)S(=O)(=O)N","O=S(=O)(N)c1ccc(cc1)CN","",1,"Benzenesulfonamide, 4-(aminomethyl)-(1)","138-39-6(1)","1539","High Reliability"]
[3174,"CC(C)C1C(O)=NC(=O)N=C1O\nCC(C)C1C(=O)NC(=O)NC1=O\n\n","CC(C1C(=NC(=O)N=C1O)O)C","O=C1N=C(O)C(C(O)=N1)C(C)C","",1,"BARBITURIC ACID, 5-IPR(1)","7391-69-7(1)","3836","Medium Reliability"]
[3175,"CCCc1cc(=O)[nH]c(=S)[nH]1\nCCCn1c(=O)cc[nH]c1=S\n\n","CCCc1cc(=O)[nH]c(=S)[nH]1","O=C1C=C(NC(N1)=S)CCC","",1,"propylthiouracil(1)","51-52-5(1)","49","High Reliability","Name verified in PubChem"]
[3176,"NC(=N)NS(=O)(=O)c1ccc(N)cc1\nNC(N)=NS(=O)(=O)c1ccc(N)cc1\n\n","NC(=N)NS(=O)(=O)c1ccc(cc1)N","O=S(=O)(NC(=N)N)c1ccc(N)cc1","",1,"sulfanilylguanadine(1)","57-67-0(1)","135","Medium Reliability","Name verified in PubChem"]
[3177,"CCNC(=O)NC(=O)C(=NOC)C#N\n\n\n","CCNC(=O)NC(=O)C(=NOC)C#N","N#CC(=NOC)C(=O)NC(=O)NCC","",1,"Cymoxanil(1)","57966-95-7(1)","4951","High Reliability","Stereochemistry removed"]
[3178,"O=CC1CCCC=C1\nO=CC1CCC=CC1\n\n","C1CCC=CC1C=O","O=CC1C=CCCC1","",1,"TETRAHYDROBENZALDEHYDE(1)","1321-16-0(1)","2886","High Reliability","Checked on PubChem, Checked on ChemID"]
[3179,"O=C1CC2CCC1C2\n\n\n","O=C1CC2CC1CC2","O=C1CC2CCC1C2","",1,"NORCAMPHOR(1)","497-38-1(1)","1896","Medium Reliability"]
[3180,"OC(=O)C1=CCCCC1\n\n\n","OC(=O)C1=CCCCC1","O=C(O)C1=CCCCC1","",1,"1-CYCLOHEXENE-1-CARBOXYLIC ACID(1)","636-82-8(1)","2596","High Reliability"]
[3181,"CCCC(=CC(O)=O)C(O)=O\n\n\n","CCCC(=CC(=O)O)C(=O)O","O=C(O)C=C(C(=O)O)CCC","",1,"2-Butenedioic acid, 2-propyl-, (E)-(1)","5469-28-3(1)","3627","Medium Reliability","Stereochemistry removed"]
[3182,"CC(=O)OC(OC(C)=O)C=C\n[O-]C(=O)CC(CC([O-])=O)C=C\n\n","C=CC(OC(=O)C)OC(=O)C","O=C(OC(OC(=O)C)C=C)C","",1,"allylidenediacetate(1)","869-29-4(1)","2721","High Reliability","Name verified in PubChem"]
[3183,"COC(=O)C=C(C)C(=O)OC\n\n\n","COC(=O)C=C(C(=O)OC)C","O=C(OC)C=C(C(=O)OC)C","",2,"2-Butenedioic acid, 2-methyl-, dimethyl ester, ((2)","617-54-9(1), 617-53-8(1)","2457, 2456","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3184,"CCOC(=O)C(=O)C(=O)OCC\n\n\n","CCOC(=O)C(=O)C(=O)OCC","O=C(OCC)C(=O)C(=O)OCC","",1,"Propanedioic acid, oxo-, diethyl ester(1)","609-09-6(1)","2400","High Reliability"]
[3185,"OC1CC(=CC(O)C1O)C(O)=O\n\n\n","OC1CC(=CC(C1O)O)C(=O)O","O=C(O)C1=CC(O)C(O)C(O)C1","",1,"SHIKIMIC ACID(1)","138-59-0(1)","1541","High Reliability","Stereochemistry removed"]
[3186,"Cn1cncc1CC(N)C(O)=O\n\n\n","Cn1cncc1CC(C(=O)O)N","O=C(O)C(N)Cc1cncn1C","",1,"L-Histidine, 3-methyl-(1)","368-16-1(1)","1758","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3187,"CSc1nc(NC(C)C)nc(N=[N+]=[N-])n1\n\n\n","[N-]=[N+]=Nc1nc(NC(C)C)nc(n1)SC","[N-]=[N+]=Nc1nc(nc(n1)SC)NC(C)C","",1,"AZIPROTRYNE(1)","4658-28-0(1)","3521","High Reliability"]
[3188,"CCC(C)(OC(N)=O)C#C\n\n\n","CC(C#C)(OC(=O)N)CC","O=C(OC(C#C)(C)CC)N","",1,"MEPARFYNOL CARBAMATE(1)","302-66-9(1)","1709","High Reliability","Checked on PubChem, Checked on ChemID"]
[3189,"COC(=O)C1CN(C)C(=O)C1\n\n\n","COC(=O)C1CC(=O)N(C1)C","O=C(OC)C1CC(=O)N(C)C1","",1,"1-METHYL-4-METHOXYCARBONYL-2-PYRROLIDONE(1)","59857-86-2(1)","4976","High Reliability","Checked on PubChem, Checked on ChemID"]
[3190,"OC(=O)C1CCNCC1C(O)=O\n\n\n","OC(=O)C1CNCCC1C(=O)O","O=C(O)C1CNCCC1(C(=O)O)","",1,"3,4-Piperidinedicarboxylic acid(1)","577-58-2(1)","2213","Medium Reliability"]
[3191,"CCSC(S)=NC(CC(O)=O)C(O)=O\nCCSC(=S)NC(CC(O)=O)C(O)=O\n\n","CCSC(=NC(C(=O)O)CC(=O)O)S","O=C(O)CC(N=C(S)SCC)C(=O)O","",1,"L-Aspartic acid, N-[(ethylthio)thioxomethyl]-(1)","5139-67-3(1)","3567","Medium Reliability","Stereochemistry removed"]
[3192,"C1CCC=CCC1\n\n\n","C1CCC=CCC1","C1=CCCCCC1","",1,"CYCLOHEPTENE(1)","628-92-2(1)","2558","High Reliability"]
[3193,"CCCCCC#C\nCCCCC#CC\nC=CCCCC=C\n","CCCCCC#C","C#CCCCCC","",3,"1-HEPTYNE(1), 2-Heptyne(1), 1,6-Heptadiene(1)","628-71-7(1), 1119-65-9(1), 3070-53-9(1)","2557, 2836, 3324","High Reliability"]
[3194,"CC1=CCCCC1\n\n\n","CC1=CCCCC1","C1=C(C)CCCC1","",1,"1-METHYLCYCLOHEXENE(1)","591-49-1(1)","2304","High Reliability"]
[3195,"CCNc1nc(NCC)nc(Cl)n1\n\n\n","CCNc1nc(NCC)nc(n1)Cl","n1c(nc(nc1NCC)Cl)NCC","",1,"SIMAZINE(1)","122-34-9(1)","1390","Medium Reliability"]
[3196,"CNc1nc(Cl)nc(NC(C)C)n1\n\n\n","CNc1nc(NC(C)C)nc(n1)Cl","n1c(nc(nc1NC(C)C)Cl)NC","",1,"NORAZINE(1)","3004-71-5(1)","3312","High Reliability"]
[3197,"CCOC(=O)C(C)N=C(O)CCl\nCCOC(=O)C(C)NC(=O)CCl\n\n","CCOC(=O)C(N=C(CCl)O)C","O=C(OCC)C(N=C(O)CCl)C","",1,"L-Alanine, N-(chloroacetyl)-, ethyl ester(1)","76385-53-0(1)","5224","Medium Reliability","Stereochemistry removed"]
[3198,"CC(C)Cc1ncc[nH]1\n\n\n","CC(Cc1ncc[nH]1)C","n1cc[nH]c1CC(C)C","",1,"1H-Imidazole, 2-(2-methylpropyl)-(1)","61491-92-7(1)","5007","High Reliability"]
[3199,"CC(C)C1NC(=O)CNC1=O\n\n\n","O=C1CNC(=O)C(N1)C(C)C","O=C1NC(C(=O)NC1)C(C)C","",1,"2,5-Piperazinedione, 3-(1-methylethyl)-(1)","14771-77-8(1)","4043","High Reliability","Checked on PubChem, Checked on ChemID"]
[3200,"CC1CCC(=NO)C(C1)=NO\nCC1CCC(=C(C1)NO)N=O\n\n","ON=C1CC(C)CCC1=NO","ON=C1C(=NO)CC(C)CC1","",1,"1,2-Cyclohexanedione, 4-methyl-, dioxime(1)","18310-19-5(1)","4192","High Reliability"]
[3201,"CC1CCCC(=NO)C1=NO\n\n\n","ON=C1C(C)CCCC1=NO","ON=C1C(=NO)C(C)CCC1","",1,"1,2-Cyclohexanedione, 3-methyl-, dioxime(1)","18310-18-4(1)","4191","Medium Reliability"]
[3202,"ON=C1CCCCCC1=NO\nONC1=C(CCCCC1)N=O\n\n","ON=C1CCCCCC1=NO","ON=C1C(=NO)CCCCC1","",1,"1,2-Cycloheptanedione, dioxime(1)","530-97-2(1)","2017","High Reliability"]
[3203,"CCS(=O)(=O)c1nnc(s1)N(C)C(=O)NC\n\n\n","CNC(=O)N(c1nnc(s1)S(=O)(=O)CC)C","O=C(NC)N(c1nnc(s1)S(=O)(=O)CC)C","",1,"Ethidimuron(1)","30043-49-3(1)","4498","High Reliability"]
[3204,"OC(=O)CN=C(O)CN=C(O)CNC(O)=N\nNC(=O)NCC(=O)NCC(=O)NCC(O)=O\n\n","OC(=NCC(=NCC(=O)O)O)CNC(=N)O","O=C(O)CN=C(O)CN=C(O)CNC(=N)O","",1,"Glycine, N-[N-(N-carbamoylglycyl)glycyl]-(1)","17186-15-1(1)","4145","Medium Reliability"]
[3205,"CC1CCCC(=O)C1\n\n\n","CC1CCCC(=O)C1","O=C1CCCC(C)C1","",1,"3-METHYLCYCLOHEXANONE(1)","591-24-2(1)","2301","High Reliability"]
[3206,"CCCCOC(=O)C=C\n\n\n","CCCCOC(=O)C=C","O=C(OCCCC)C=C","",1,"BUTYL ACRYLATE(1)","141-32-2(1)","1564","High Reliability"]
[3207,"C1COC2(C1)CCCO2\n\n\n","C1COC2(C1)CCCO2","O1CCCC12(OCCC2)","",1,"1,6-Dioxaspiro[4,4]nonane(1)","176-25-0(1)","1640","Medium Reliability"]
[3208,"CC(C)COC(=O)C=C\n\n\n","C=CC(=O)OCC(C)C","O=C(OCC(C)C)C=C","",1,"ISOBUTYL ACRYLATE(1)","106-63-8(1)","1008","High Reliability"]
[3209,"CC(C)C=CCC(O)=O\n\n\n","CC(C=CCC(=O)O)C","O=C(O)CC=CC(C)C","",1,"5-Methyl-hex-3-enoic acid(1)","59320-76-2(1)","4973","Medium Reliability"]
[3210,"OC(=O)C1CCCCC1\n\n\n","OC(=O)C1CCCCC1","O=C(O)C1CCCCC1","",1,"CYCLOHEXANECARBOXYLIC ACID(1)","98-89-5(1)","830","High Reliability"]
[3211,"OC(=O)C1(O)CCCCC1\n\n\n","OC(=O)C1(O)CCCCC1","O=C(O)C1(O)(CCCCC1)","",1,"1-Hydroxy-cyclohexanecarboxylic acid(1)","1123-28-0(1)","2841","Medium Reliability"]
[3212,"OC(=O)COC1CCCC1\n\n\n","OC(=O)COC1CCCC1","O=C(O)COC1CCCC1","",1,"Acetic acid, (cyclopentyloxy)-(1)","95832-60-3(1)","5395","Medium Reliability","Checked on PubChem"]
[3213,"COC(=O)CCCC(=O)OC\n\n\n","COC(=O)CCCC(=O)OC","O=C(OC)CCCC(=O)OC","",1,"PENTANEDIOIC ACID, DIMETHYL ESTER(1)","1119-40-0(1)","2834","High Reliability"]
[3214,"CCCCC(C(O)=O)C(O)=O\n\n\n","CCCCC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)CCCC","",1,"BUTYL MALONIC ACID(1)","534-59-8(1)","2033","High Reliability","Checked on PubChem, Checked on ChemID"]
[3215,"CCOC(=O)CC(=O)OCC\n\n\n","CCOC(=O)CC(=O)OCC","O=C(OCC)CC(=O)OCC","",1,"DIETHYL MALONATE(1)","105-53-3(1)","973","High Reliability"]
[3216,"CCC(C(C)C(O)=O)C(O)=O\n\n\n","CCC(C(C(=O)O)C)C(=O)O","O=C(O)C(C)C(C(=O)O)CC","",1,"Butanedioic acid, 2-ethyl-3-methyl-(1)","1186-78-3(1)","2859","Medium Reliability"]
[3217,"CCC(C)(CC(O)=O)C(O)=O\n\n\n","CCC(C(=O)O)(CC(=O)O)C","O=C(O)CC(C(=O)O)(C)CC","",1,"2-Ethyl-2-methyl-succinic acid(1)","631-31-2(1)","2575","High Reliability","Checked on PubChem, Checked on ChemID"]
[3218,"CCC(CC)(C(O)=O)C(O)=O\n\n\n","CCC(C(=O)O)(C(=O)O)CC","O=C(O)C(C(=O)O)(CC)CC","",1,"Propanedioic acid, diethyl-(1)","510-20-3(1)","1949","High Reliability"]
[3219,"CC(C)C(CC(O)=O)C(O)=O\n\n\n","OC(=O)CC(C(=O)O)C(C)C","O=C(O)CC(C(=O)O)C(C)C","",1,"Butanedioic acid, (1-methylethyl)-(1)","2338-45-6(1)","3172","Medium Reliability"]
[3220,"CC(C(O)=O)C(C)(C)C(O)=O\n\n\n","OC(=O)C(C(C(=O)O)(C)C)C","O=C(O)C(C)C(C(=O)O)(C)C","",1,"Butanedioic acid, trimethyl-(1)","2103-16-4(1)","3094","High Reliability","Checked on PubChem, Checked on ChemID"]
[3221,"CC(CC(C)C(O)=O)C(O)=O\nCC(CC(C)C([O-])=O)C([O-])=O\n\n","CC(C(=O)O)CC(C(=O)O)C","O=C(O)C(C)CC(C(=O)O)C","",1,"Pentanedioic acid, 2,4-dimethyl-(1)","2121-67-7(1)","3099","High Reliability","Stereochemistry removed"]
[3222,"CCOC(=O)C(C)OC(C)=O\n\n\n","CCOC(=O)C(OC(=O)C)C","O=C(OC(C(=O)OCC)C)C","",1,"Propanoic acid, 2-(acetyloxy)-, ethyl ester(1)","2985-28-6(1)","3308","High Reliability"]
[3223,"CCC(=O)OC(C)C(=O)OC\n\n\n","CCC(=O)OC(C(=O)OC)C","O=C(OC(C(=O)OC)C)CC","",1,"Propanoic acid, 2-(1-oxopropoxy)-, methyl ester(1)","61402-72-0(1)","5005","Medium Reliability"]
[3224,"CC(COC(C)=O)OC(C)=O\nCC(O)CO.CC(O)=O.CC(O)=O\n\n","CC(=O)OCC(OC(=O)C)C","O=C(OCC(OC(=O)C)C)C","",1,"1,2-propyleneglycoldiacetate(1)","623-84-7(1)","2498","High Reliability","Name verified in PubChem"]
[3225,"CC(=O)OCCCOC(C)=O\nCC(O)=O.CC(O)=O.OCCCO\n\n","CC(=O)OCCCOC(=O)C","O=C(OCCCOC(=O)C)C","",1,"1,3-propanediol,diacetate(1)","628-66-0(1)","2556","High Reliability","Name verified in PubChem"]
[3226,"OC(=O)CCCCCC(O)=O\n\n\n","OC(=O)CCCCCC(=O)O","O=C(O)CCCCCC(=O)O","",1,"PIMELIC ACID(1)","111-16-0(1)","1207","High Reliability"]
[3227,"OC1CC(O)(CC(O)C1O)C(O)=O\n\n\n","OC1C(O)CC(CC1O)(O)C(=O)O","O=C(O)C1(O)(CC(O)C(O)C(O)C1)","",1,"Quinic acid(1)","77-95-2(1)","429","High Reliability","Checked on PubChem, Checked on ChemID"]
[3228,"OCC(O)C(O)C1OC(=O)C(O)C1O\n\n\n","OCC(C(C1OC(=O)C(C1O)O)O)O","O=C1OC(C(O)C1(O))C(O)C(O)CO","",1,"D-glycero-D-gulo-heptonic acid, .gamma.-lactone(1)","89-67-8(1)","637","High Reliability","Checked on PubChem, Checked on ChemID"]
[3229,"CCC(Br)(CC)C(=O)NC(N)=O\n\n\n","CCC(C(=O)NC(=O)N)(CC)Br","O=C(N)NC(=O)C(CC)(CC)Br","",1,"CARBROMAL(1)","77-65-6(1)","419","High Reliability"]
[3230,"NC(=O)NN=C1CCCCC1\n\n\n","NC(=O)NN=C1CCCCC1","O=C(N)NN=C1CCCCC1","",1,"Hydrazinecarboxamide, 2-cyclohexylidene-(1)","1589-61-3(1)","2937","High Reliability"]
[3231,"OC(=N)C1CCCC(N1)C(O)=N\n\n\n","OC(=N)C1CCCC(N1)C(=N)O","N=C(O)C1NC(C(=N)O)CCC1","",1,"2,6-Piperidinedicarboxamide(1)","99669-83-7(1)","5443","Medium Reliability"]
[3232,"CNC(=O)ON=C(SC)C(=O)N(C)C\n\n\n","CNC(=O)ON=C(C(=O)N(C)C)SC","O=C(ON=C(C(=O)N(C)C)SC)NC","",1,"OXAMYL(1)","23135-22-0(1)","4337","High Reliability","Stereochemistry removed"]
[3233,"CCNc1nc(NCC)nc(O)n1\nCCNc1nc(=O)nc(NCC)[nH]1\n\n","CCNc1nc(NCC)nc(n1)O","Oc1nc(nc(n1)NCC)NCC","",1,"Hydroxysimazine(1)","2599-11-3(1)","3252","High Reliability"]
[3234,"CC(C)C(NC(C)=O)C(O)=O\n\n\n","CC(=O)NC(C(=O)O)C(C)C","O=C(O)C(NC(=O)C)C(C)C","",3,"D-Valine, N-acetyl-(1), L-Valine, N-acetyl-(1), DL-Valine, N-acetyl-(1)","17916-88-0(1), 96-81-1(1), 3067-19-4(1)","4174, 784, 3322","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3235,"CC(C)CC(N=CO)C(O)=O\nCC(C)CC(NC=O)C(O)=O\n\n","OC=NC(C(=O)O)CC(C)C","O=C(O)C(N=CO)CC(C)C","",1,"DL-Leucine, N-formyl-(1)","5338-45-4(1)","3589","High Reliability","Stereochemistry removed"]
[3236,"CSCCC(NC(C)=O)C(O)=O\nCSCCC(NC(C)=O)C(O)=O\nCSCCC(NC(C)=O)C([O-])=O\n","CSCCC(C(=O)O)NC(=O)C","O=C(O)C(NC(=O)C)CCSC","",3,"L-Methionine, N-acetyl-(1), DL-Methionine, N-acetyl-(1), D-Methionine, N-acetyl-(1)","65-82-7(1), 1115-47-5(1), 1509-92-8(1)","238, 2826, 2918","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3237,"CCOC(=O)CNC(=O)OCC\n\n\n","CCOC(=O)NCC(=O)OCC","O=C(OCC)NCC(=O)OCC","",1,"Glycine, N-(ethoxycarbonyl)-, ethyl ester(1)","999-30-4(1)","2788","Medium Reliability"]
[3238,"COC(=O)C(C)=COP(=S)(OC)OC\n\n\n","COC(=O)C(=COP(=S)(OC)OC)C","O=C(OC)C(=COP(OC)(OC)=S)C","",2,"Methacrifos(1), Methacrifos [BSI:ISO](1)","62610-77-9(1), 30864-28-9(1)","5015, 4515","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3239,"COC(=O)C=C(C)OP(=O)(OC)OC\n\n\n","COC(=O)C=C(OP(=O)(OC)OC)C","O=C(OC)C=C(OP(=O)(OC)OC)C","",3,"MEVINPHOS (TRANS)(1), MEVINPHOS(1), Mevinphos(1)","298-01-1(1), 7786-34-7(1), 26718-65-0(1)","1688, 3885, 4428","Medium Reliability, High Reliability","Stereochemistry removed"]
[3240,"C1CCCCCC1\n\n\n","C1CCCCCC1","C1CCCCCC1","",1,"CYCLOHEPTANE(1)","291-64-5(1)","1683","High Reliability"]
[3241,"CCCCCC=C\nCCCCC=CC\n\n","CCCCC=CC","C(=CCCCC)C","",3,"1-HEPTENE(1), 2-Heptene(1), 2-HEPTENE (TRANS)(1)","592-76-7(1), 592-77-8(1), 14686-13-6(1)","2315, 2316, 4040","High Reliability","Stereochemistry removed"]
[3242,"CC1CCCCC1\n\n\n","CC1CCCCC1","CC1CCCCC1","",1,"1-METHYLCYCLOHEXANE(1)","108-87-2(1)","1107","High Reliability"]
[3243,"CP(F)(=O)OC1CCCCC1\n\n\n","CP(=O)(OC1CCCCC1)F","O=P(F)(OC1CCCCC1)C","",1,"Cyclohexyl methylphosphonofluoridate(1)","329-99-7(1)","1738","High Reliability"]
[3244,"CCC(CC)(C(N)=O)C(N)=O\n\n\n","CCC(C(=O)N)(C(=O)N)CC","O=C(N)C(C(=O)N)(CC)CC","",1,"Propanediamide, 2,2-diethyl-(1)","29141-71-7(1)","4476","High Reliability"]
[3245,"CNC(=O)ON=C(C)C(C)SC\n\n\n","CSC(C(=NOC(=O)NC)C)C","O=C(ON=C(C)C(C)SC)NC","",1,"Butocarboxim(1)","34681-10-2(1)","4594","High Reliability","Stereochemistry removed"]
[3246,"CNC(=O)ON=CC(C)(C)SC\n\n\n","CNC(=O)ON=CC(SC)(C)C","O=C(ON=CC(C)(C)SC)NC","",1,"ALDICARB(1)","116-06-3(1)","1295","High Reliability","Stereochemistry removed"]
[3247,"CC(C)C(N=C(O)CN)C(O)=O\nCC(C)C(NC(=O)CN)C(O)=O\n\n","NCC(=NC(C(=O)O)C(C)C)O","O=C(O)C(N=C(O)CN)C(C)C","",1,"L-Valine, N-glycyl-(1)","1963-21-9(1)","3049","High Reliability","Stereochemistry removed"]
[3248,"CC(C)C(N)C(O)=NCC(O)=O\nCC(C)C(N)C(=O)NCC(O)=O\n\n","NC(C(=NCC(=O)O)O)C(C)C","O=C(O)CN=C(O)C(N)C(C)C","",1,"Glycine, N-DL-valyl-(1)","14297-28-0(1)","4024","Medium Reliability","Stereochemistry removed"]
[3249,"CNC(=O)ON=CC(C)(C)S(C)=O\n\n\n","CNC(=O)ON=CC(S(=O)C)(C)C","O=C(ON=CC(C)(C)S(=O)C)NC","",1,"ALDICARB SULFOXIDE(1)","1646-87-3(1)","2950","High Reliability","Stereochemistry removed"]
[3250,"CNC(=O)ON=C(C)C(C)S(C)(=O)=O\n\n\n","CNC(=O)ON=C(C(S(=O)(=O)C)C)C","O=C(ON=C(C)C(C)S(=O)(=O)C)NC","",1,"Butoxycarboxim(1)","34681-23-7(1)","4595","High Reliability","Stereochemistry removed"]
[3251,"CNC(=O)ON=CC(C)(C)S(C)(=O)=O\n\n\n","CNC(=O)ON=CC(S(=O)(=O)C)(C)C","O=C(ON=CC(C)(C)S(=O)(=O)C)NC","",1,"ALDICARB SULFONE(1)","1646-88-4(1)","2951","High Reliability","Stereochemistry removed"]
[3252,"CCOP(=O)(OCC)N=C1SCCS1\n\n\n","CCOP(=O)(N=C1SCCS1)OCC","O=P(N=C1SCCS1)(OCC)OCC","",1,"CYOLANE(1)","947-02-4(1)","2768","High Reliability"]
[3253,"COC(=O)N(C)C(=O)CSP(C)(=S)OC\n\n\n","COC(=O)N(C(=O)CSP(=S)(OC)C)C","O=C(OC)N(C(=O)CSP(OC)(C)=S)C","",1,"Mercarphon [ISO](1)","29173-31-7(1)","4477","Medium Reliability"]
[3254,"CNC(=O)C=C(C)OP(=O)(OC)OC\n\n\n","CNC(=O)C=C(OP(=O)(OC)OC)C","O=C(C=C(OP(=O)(OC)OC)C)NC","",1,"AZODRIN(1)","6923-22-4(1)","3797","High Reliability","Stereochemistry removed"]
[3255,"CCCCCCC=O\n\n\n","CCCCCCC=O","O=CCCCCCC","",1,"HEPTANAL(1)","111-71-7(1)","1228","High Reliability"]
[3256,"CCCCCC(C)=O\n\n\n","CCCCCC(=O)C","O=C(C)CCCCC","",1,"2-HEPTANONE(1)","110-43-0(1)","1171","High Reliability"]
[3257,"CCCCC(=O)CC\n\n\n","CCCCC(=O)CC","O=C(CC)CCCC","",1,"3-HEPTANONE(1)","106-35-4(1)","991","High Reliability"]
[3258,"CCCC(=O)CCC\n\n\n","CCCC(=O)CCC","O=C(CCC)CCC","",1,"DI(N-PROPYL) KETONE(1)","123-19-3(1)","1407","High Reliability"]
[3259,"CC(C)C(=O)C(C)C\n\n\n","CC(C(=O)C(C)C)C","O=C(C(C)C)C(C)C","",1,"2,4-DIMETHYL-3-PENTANONE(1)","565-80-0(1)","2197","High Reliability"]
[3260,"CC(C)CCC(C)=O\n\n\n","CC(CCC(=O)C)C","O=C(C)CCC(C)C","",1,"5-METHYL-2-HEXANONE(1)","110-12-3(1)","1161","High Reliability"]
[3261,"CC1CCC(O)CC1\n\n\n","CC1CCC(CC1)O","OC1CCC(C)CC1","",1,"4-METHYLCYCLOHEXANOL(1)","589-91-3(1)","2279","High Reliability"]
[3262,"CCCCCCC(O)=O\n\n\n","CCCCCCC(=O)O","O=C(O)CCCCCC","",1,"HEPTANOIC ACID(1)","111-14-8(1)","1205","High Reliability"]
[3263,"CCCCOCC1CO1\n\n\n","CCCCOCC1CO1","O(CCCC)CC1OC1","",1,"GLYCIDYL N-BUTYL ETHER(1)","2426-08-6(1)","3201","Medium Reliability"]
[3264,"CCCCCC(=O)OC\n\n\n","CCCCCC(=O)OC","O=C(OC)CCCCC","",1,"METHYL HEXANOATE(1)","106-70-7(1)","1011","High Reliability"]
[3265,"CCCCCOC(C)=O\n\n\n","CCCCCOC(=O)C","O=C(OCCCCC)C","",1,"N-AMYL ACETATE(1)","628-63-7(1)","2555","High Reliability"]
[3266,"CCCCC(=O)OCC\n\n\n","CCCCC(=O)OCC","O=C(OCC)CCCC","",1,"ETHYL VALERATE(1)","539-82-2(1)","2060","High Reliability"]
[3267,"CCCCOC(=O)CC\n\n\n","CCCCOC(=O)CC","O=C(OCCCC)CC","",1,"N-BUTYL PROPIONATE(1)","590-01-2(1)","2282","High Reliability"]
[3268,"CCCOC(=O)CCC\n\n\n","CCCOC(=O)CCC","O=C(OCCC)CCC","",1,"N-PROPYLBUTYRATE(1)","105-66-8(1)","981","Medium Reliability"]
[3269,"CCC(=O)OCC(C)C\n\n\n","CCC(=O)OCC(C)C","O=C(OCC(C)C)CC","",1,"2-METHYLPROPYL PROPANOATE(1)","540-42-1(1)","2065","High Reliability"]
[3270,"CCOC(=O)CC(C)C\n\n\n","CCOC(=O)CC(C)C","O=C(OCC)CC(C)C","",1,"ETHYL ISOVALERATE(1)","108-64-5(1)","1093","High Reliability"]
[3271,"CC(C)CCOC(C)=O\n\n\n","CC(CCOC(=O)C)C","O=C(OCCC(C)C)C","",1,"ISOAMYL ACETATE(1)","123-92-2(1)","1431","High Reliability"]
[3272,"CC(C)CC1OCCO1\n\n\n","CC(CC1OCCO1)C","O1CCOC1CC(C)C","",1,"1,3-DIOXOLANE, 2-(2-METHYLPROPYL)-(1)","6135-52-0(1)","3704","Medium Reliability"]
[3273,"COC(C)(C)CC(C)=O\n\n\n","COC(CC(=O)C)(C)C","O=C(C)CC(OC)(C)C","",1,"4-METHOXY-4-METHYL-2-PENTANONE(1)","107-70-0(1)","1052","High Reliability"]
[3274,"COC1CCCC(C)O1\n\n\n","COC1CCCC(O1)C","O(C)C1OC(C)CCC1","",1,"2H-PYRAN, TETRAHYDRO-2-METHOXY-6-METHYL-(1)","18653-59-3(1)","4202","Medium Reliability"]
[3275,"CCCCOC(=O)CCO\n\n\n","CCCCOC(=O)CCO","O=C(OCCCC)CCO","",1,"Propanoic acid, 3-hydroxy-, butyl ester(1)","4890-38-4(1)","3550","Medium Reliability"]
[3276,"CCCCOC(=O)C(C)O\n\n\n","CCCCOC(=O)C(O)C","O=C(OCCCC)C(O)C","",1,"BUTYL LACTATE(1)","138-22-7(1)","1537","High Reliability"]
[3277,"CCCOCCC(=O)OC\n\n\n","CCCOCCC(=O)OC","O=C(OC)CCOCCC","",1,"Propionic acid, 3-propoxy-, methyl ester(1)","14144-39-9(1)","4014","Medium Reliability"]
[3278,"CCCOC(=O)CCOC\n\n\n","CCCOC(=O)CCOC","O=C(OCCC)CCOC","",1,"Propionic acid, 3-methoxy-, propyl ester(1)","5349-56-4(1)","3593","Medium Reliability"]
[3279,"CCOCCC(=O)OCC\n\n\n","CCOCCC(=O)OCC","O=C(OCC)CCOCC","",1,"ETHYL 3-ETHOXYPROPANOATE(1)","763-69-9(1)","2678","High Reliability"]
[3280,"CCOC(OCC)C(C)=O\n\n\n","CCOC(C(=O)C)OCC","O=C(C)C(OCC)OCC","",1,"2-Propanone, 1,1-diethoxy-(1)","5774-26-5(1)","3662","High Reliability"]
[3281,"COC(C)CCOC(C)=O\n\n\n","COC(CCOC(=O)C)C","O=C(OCCC(OC)C)C","",1,"3-METHOXYBUTYL ACETATE(1)","4435-53-4(1)","3496","High Reliability"]
[3282,"CCCC(=O)OCC(O)CO\n\n\n","CCCC(=O)OCC(CO)O","O=C(OCC(O)CO)CCC","",1,"1-MONOBUTYRIN(1)","557-25-5(1)","2164","High Reliability"]
[3283,"COC1OC(CO)C(O)C(O)C1O\n\n\n","COC1OC(CO)C(C(C1O)O)O","OCC1OC(OC)C(O)C(O)C1(O)","",1,".alpha.-D-Glucopyranoside, methyl(1)","97-30-3(1)","794","Medium Reliability","Stereochemistry removed"]
[3284,"OCC(O)C(O)C(O)C(O)C(O)C=O\n\n\n","OCC(C(C(C(C(C=O)O)O)O)O)O","O=CC(O)C(O)C(O)C(O)C(O)CO","",1,"D-glycero-D-gulo-Heptose(1)","3146-50-7(1)","3336","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3285,"CCCCCCCBr\n\n\n","CCCCCCCBr","CCCCCCCBr","",1,"1-BROMOHEPTANE(1)","629-04-9(1)","2562","High Reliability"]
[3286,"CCCCCCCCl\n\n\n","CCCCCCCCl","CCCCCCCCl","",1,"1-CHLOROHEPTANE(1)","629-06-1(1)","2564","High Reliability"]
[3287,"ClCCN(CCCl)P1(=O)NCCCO1\n\n\n","ClCCN(P1(=O)NCCCO1)CCCl","O=P1(OCCCN1)N(CCCl)CCCl","",1,"CYCLOPHOSPHAMIDE(1)","50-18-0(1)","8","High Reliability"]
[3288,"CCCCCCCI\n\n\n","CCCCCCCI","CCCCCCCI","",1,"1-IODOHEPTANE(1)","4282-40-0(1)","3478","High Reliability"]
[3289,"Cl.CN(C)C(CSC(N)=O)CSC(N)=O\n[Cl-].C[NH+](C)C(CSC(N)=O)CSC(N)=O\n\n","CN(C(CSC(=O)N)CSC(=O)N)C","O=C(N)SCC(N(C)C)CSC(=O)N","",1,"Cartap Hydrochloride(1)","22042-59-7(1)","4307","High Reliability","Differences in counterions"]
[3290,"OCC(O)C(O)C(O)C(O)C=NNC(O)=N\n\n\n","OCC(C(C(C(C=NNC(=N)O)O)O)O)O","N=C(O)NN=CC(O)C(O)C(O)C(O)CO","",3,"D-Galactose, (aminocarbonyl)hydrazone(1), D-Glucose, (aminocarbonyl)hydrazone(1), D-Mannose, (aminocarbonyl)hydrazone(1)","6936-69-2(1), 23789-57-3(1), 41356-13-2(1)","3799, 4350, 4742","High Reliability","Stereochemistry removed"]
[3291,"CCCCC(NC)C(O)=O\n\n\n","CCCCC(C(=O)O)NC","O=C(O)C(NC)CCCC","",1,"N-methyl-norleucine(1)","17343-27-0(1)","4150","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[3292,"CCOC(=O)NCC(C)C\n\n\n","CCOC(=O)NCC(C)C","O=C(OCC)NCC(C)C","",1,"Isobutyl urethane(1)","539-89-9(1)","2062","High Reliability"]
[3293,"CCC(C)(CC)OC(N)=O\nCCC(C)(O)CC.NC(O)=O\n\n","CCC(OC(=O)N)(CC)C","O=C(OC(C)(CC)CC)N","",1,"3-pentanol,3-methyl-,carbamate(1)","78-28-4(1)","432","High Reliability","Name verified in PubChem"]
[3294,"CCOC(=O)N(CC)CC\n\n\n","CCOC(=O)N(CC)CC","O=C(OCC)N(CC)CC","",1,"Carbamic acid, diethyl-, ethyl ester(1)","3553-80-8(1)","3393","High Reliability"]
[3295,"CCCCOCCOC(N)=O\nCCCCOCCO.NC(O)=O\n\n","CCCCOCCOC(=O)N","O=C(OCCOCCCC)N","",1,"ethanol,2-butoxy-,carbamate(1)","16006-08-9(1)","4088","High Reliability","Name verified in PubChem"]
[3296,"CCSC(=O)N(CC)CC\n\n\n","CCSC(=O)N(CC)CC","O=C(N(CC)CC)SCC","",1,"Carbamic acid, diethylthio-, S-ethyl ester(1)","2941-55-1(1)","3300","Medium Reliability"]
[3297,"CCCCCCC\n\n\n","CCCCCCC","CCCCCCC","",1,"N-HEPTANE(1)","142-82-5(1)","1588","High Reliability"]
[3298,"CCCCC(C)C\n\n\n","CCCCC(C)C","CCCCC(C)C","",1,"2-METHYLHEXANE(1)","591-76-4(1)","2306","Medium Reliability"]
[3299,"CCCC(C)CC\n\n\n","CCCC(CC)C","CCCC(C)CC","",1,"3-METHYLHEXANE(1)","589-34-4(1)","2271","High Reliability"]
[3300,"CCCC(C)(C)C\n\n\n","CCCC(C)(C)C","CCCC(C)(C)C","",1,"2,2-DIMETHYLPENTANE(1)","590-35-2(1)","2289","High Reliability"]
[3301,"CCC(C)(C)CC\n\n\n","CCC(CC)(C)C","CCC(C)(C)CC","",1,"3,3-DIMETHYLPENTANE(1)","562-49-2(1)","2175","High Reliability"]
[3302,"CCC(C)C(C)C\n\n\n","CCC(C(C)C)C","CCC(C)C(C)C","",1,"2,3-DIMETHYLPENTANE(1)","565-59-3(1)","2189","High Reliability"]
[3303,"CC(C)CC(C)C\n\n\n","CC(CC(C)C)C","CC(C)CC(C)C","",1,"2,4-DIMETHYLPENTANE(1)","108-08-7(1)","1067","High Reliability"]
[3304,"CC(OP(C)(F)=O)C(C)(C)C\n\n\n","CC(C(C)(C)C)OP(=O)(F)C","O=P(F)(OC(C)C(C)(C)C)C","",1,"SOMAN(1)","96-64-0(1)","781","High Reliability"]
[3305,"[Cl-].CC(C[N+](C)(C)C)OC(N)=O\n\n\n","CC(C[N+](C)(C)C)OC(=O)N","O=C(OC(C)C[N+](C)(C)C)N","",1,"Bethanechol Chloride(1)","590-63-6(1)","2291","High Reliability"]
[3306,"COCCNC(=O)CSP(=S)(OC)OC\n\n\n","COCCNC(=O)CSP(=S)(OC)OC","O=C(NCCOC)CSP(OC)(OC)=S","",1,"AMIDOTHION(1)","919-76-6(1)","2738","Medium Reliability"]
[3307,"CCCCCCCO\n\n\n","CCCCCCCO","OCCCCCCC","",2,"1-HEPTANOL(1), HEPTANOL(1)","111-70-6(1), 53535-33-4(1)","1227, 4871","High Reliability","Checked on PubChem, Checked on ChemID"]
[3308,"CCCCCC(C)O\n\n\n","CCCCCC(O)C","OC(C)CCCCC","",1,"2-HEPTANOL(1)","543-49-7(1)","2100","High Reliability"]
[3309,"CCCCC(O)CC\n\n\n","CCCCC(CC)O","OC(CC)CCCC","",1,"3-HEPTANOL(1)","589-82-2(1)","2276","High Reliability"]
[3310,"CCCC(O)CCC\n\n\n","CCCC(CCC)O","OC(CCC)CCC","",1,"4-HEPTANOL(1)","589-55-9(1)","2274","High Reliability"]
[3311,"CCCCC(C)(C)O\n\n\n","CCCCC(O)(C)C","OC(C)(C)CCCC","",1,"2-METHYL-2-HEXANOL(1)","625-23-0(1)","2514","High Reliability","Checked on PubChem, Checked on ChemID"]
[3312,"CCCC(C)(C)CO\n\n\n","CCCC(CO)(C)C","OCC(C)(C)CCC","",1,"2,2-DIMETHYL-1-PENTANOL(1)","2370-12-9(1)","3178","High Reliability"]
[3313,"CCCC(O)C(C)C\n\n\n","CCCC(C(C)C)O","OC(CCC)C(C)C","",1,"2-METHYL-3-HEXANOL(1)","617-29-8(1)","2453","High Reliability","Checked on PubChem, Checked on ChemID"]
[3314,"CCCC(C)(O)CC\n\n\n","CCCC(CC)(O)C","OC(C)(CC)CCC","",1,"3-METHYL-3-HEXANOL(1)","597-96-6(1)","2342","High Reliability"]
[3315,"CCC(O)(CC)CC\n\n\n","CCC(CC)(CC)O","OC(CC)(CC)CC","",1,"3-ETHYL-3-PENTANOL(1)","597-49-9(1)","2339","High Reliability"]
[3316,"CC(C)C(O)C(C)C\n\n\n","OC(C(C)C)C(C)C","OC(C(C)C)C(C)C","",1,"2,4-DIMETHYL-3-PENTANOL(1)","600-36-2(1)","2364","High Reliability"]
[3317,"CCC(C)C(C)(C)O\n\n\n","CCC(C(O)(C)C)C","OC(C)(C)C(C)CC","",1,"2,3-DIMETHYL-2-PENTANOL(1)","4911-70-0(1)","3551","High Reliability"]
[3318,"CCC(O)C(C)(C)C\n\n\n","CCC(C(C)(C)C)O","OC(CC)C(C)(C)C","",1,"2,2-DIMETHYL-3-PENTANOL(1)","3970-62-5(1)","3450","High Reliability"]
[3319,"CCOC(C)(C)CC\n\n\n","CCOC(CC)(C)C","O(CC)C(C)(C)CC","",1,"ETHYL(TERT-AMYL) ETHER(1)","919-94-8(1)","2740","High Reliability"]
[3320,"CCC(C)(O)C(C)C\n\n\n","CCC(C(C)C)(O)C","OC(C)(CC)C(C)C","",1,"2,3-DIMETHYL-3-PENTANOL(1)","595-41-5(1)","2331","High Reliability","Checked on PubChem, Checked on ChemID"]
[3321,"CC(C)CCC(C)O\n\n\n","CC(CCC(O)C)C","OC(C)CCC(C)C","",1,"5-METHYL-2-HEXANOL(1)","627-59-8(1)","2546","High Reliability","Checked on PubChem, Checked on ChemID"]
[3322,"CC(C)CC(C)CO\n\n\n","OCC(CC(C)C)C","OCC(C)CC(C)C","",1,"2,4-DIMETHYL-1-PENTANOL(1)","6305-71-1(1)","3735","High Reliability"]
[3323,"CC(C)CC(C)(C)O\n\n\n","CC(CC(O)(C)C)C","OC(C)(C)CC(C)C","",1,"2,4-DIMETHYL-2-PENTANOL(1)","625-06-9(1)","2512","High Reliability"]
[3324,"CC(C)OC(C)(C)C\n\n\n","CC(OC(C)(C)C)C","O(C(C)C)C(C)(C)C","",1,"ISOPROPYL T-BUTYL ETHER(1)","17348-59-3(1)","4151","High Reliability"]
[3325,"CC(C)(C)C(C)(C)O\n\n\n","CC(C(C)(C)C)(O)C","OC(C)(C)C(C)(C)C","",1,"2,3,3,-TRIMETHYL-2-BUTANOL(1)","594-83-2(1)","2328","High Reliability"]
[3326,"CC(C)(C)CCCO\n\n\n","OCCCC(C)(C)C","OCCCC(C)(C)C","",1,"4,4-DIMETHYL-1-PENTANOL(1)","3121-79-7(1)","3331","Medium Reliability"]
[3327,"CCC(CC)(CO)CO\n\n\n","CCC(CO)(CO)CC","OCC(CO)(CC)CC","",1,"2,2-DIETHYL-1,3-PROPANEDIOL(1)","115-76-4(1)","1287","High Reliability"]
[3328,"COCCOCCOCCO\nCOC(O)COCCOCCO\n\n","COCCOCCOCCO","OCCOCCOCCOC","",1,"methoxytriethyleneglycol(1)","112-35-6(1)","1250","Medium Reliability","Name verified in PubChem"]
[3329,"CCS(=O)(=O)C(C)(C)S(=O)(=O)CC\n\n\n","CCS(=O)(=O)C(S(=O)(=O)CC)(C)C","O=S(=O)(CC)C(C)(C)S(=O)(=O)CC","",1,"2,2-BIS(ETHYLSULFONYL)PROPANE(1)","115-24-2(1)","1276","High Reliability"]
[3330,"CCS(=O)(=O)C(C)(CO)S(=O)(=O)CC\n\n\n","OCC(S(=O)(=O)CC)(S(=O)(=O)CC)C","O=S(=O)(CC)C(C)(CO)S(=O)(=O)CC","",1,"1-Propanol, 2,2-bis(ethylsulfonyl)-(1)","89979-51-1(1)","5345","Medium Reliability"]
[3331,"OCC(O)C(O)C(O)C(O)C(O)CO\n\n\n","OCC(C(C(C(C(CO)O)O)O)O)O","OCC(O)C(O)C(O)C(O)C(O)CO","",3,"D-glycero-D-manno-Heptitol(1), D-glycero-D-gulo-Heptitol(1), D-glycero-L-gulo-Heptitol(1)","488-38-0(1), 1069-00-7(1), 3343-95-1(1)","1868, 2810, 3371","High Reliability","Checked on PubChem, Stereochemistry removed"]
[3332,"CCCCCCCS\n\n\n","CCCCCCCS","CCCCCCCS","",1,"1-HEPTANETHIOL(1)","1639-09-4(1)","2949","High Reliability"]
[3333,"CNCC(O)C(O)C(O)C(O)CO\n\n\n","CNCC(C(C(C(CO)O)O)O)O","OCC(O)C(O)C(O)C(O)CNC","",1,"D-Glucitol, 1-deoxy-1-(methylamino)-(1)","6284-40-8(1)","3729","High Reliability","Stereochemistry removed"]
[3334,"CCOP(=S)(OCC)SCSCC\n\n\n","CCSCSP(=S)(OCC)OCC","O(CC)P(OCC)(=S)SCSCC","",1,"PHORATE(1)","298-02-2(1)","1689","High Reliability"]
[3335,"COP(=S)(OC)SCCSC(C)C\n\n\n","COP(=S)(SCCSC(C)C)OC","O(C)P(OC)(=S)SCCSC(C)C","",1,"ISOTHIOATE(1)","36614-38-7(1)","4633","High Reliability"]
[3336,"CCOP(=S)(OCC)SCS(=O)CC\n\n\n","CCOP(=S)(SCS(=O)CC)OCC","O=S(CC)CSP(OCC)(OCC)=S","",1,"PHORATE SULFOXIDE(1)","2588-03-6(1)","3245","High Reliability"]
[3337,"CCCOP(=O)(OC)OCCC\n\n\n","CCCOP(=O)(OCCC)OC","O=P(OC)(OCCC)OCCC","",1,"Phosphoric acid, methyl dipropyl ester(1)","92347-84-7(1)","5374","Medium Reliability"]
[3338,"CCCOP(=O)(OCC)OCC\n\n\n","CCCOP(=O)(OCC)OCC","O=P(OCC)(OCC)OCCC","",1,"Phosphoric acid, diethyl propyl ester(1)","814-22-2(1)","2693","High Reliability"]
[3339,"CCOP(=O)(OCC)SCS(=O)CC\n\n\n","CCOP(=O)(SCS(=O)CC)OCC","O=S(CC)CSP(=O)(OCC)OCC","",1,"PHORATE OXON SULFOXIDE(1)","2588-05-8(1)","3247","High Reliability"]
[3340,"CCOP(=S)(OCC)SCS(=O)(=O)CC\n\n\n","CCOP(=S)(SCS(=O)(=O)CC)OCC","O=S(=O)(CC)CSP(OCC)(OCC)=S","",1,"PHORATE SULFONE(1)","2588-04-7(1)","3246","High Reliability"]
[3341,"Oc1c(Br)cc(cc1Br)C#N\n\n\n","N#Cc1cc(Br)c(c(c1)Br)O","N#Cc1cc(c(O)c(c1)Br)Br","",1,"BROMOXYNIL(1)","1689-84-5(1)","2962","High Reliability"]
[3342,"OC(=O)c1c(Br)cc(Br)cc1Br\n\n\n","OC(=O)c1c(Br)cc(cc1Br)Br","O=C(O)c1c(cc(cc1Br)Br)Br","",1,"Benzoic acid, 2,4,6-tribromo-(1)","633-12-5(1)","2584","High Reliability"]
[3343,"Clc1cccc(Cl)c1C#N\n\n\n","N#Cc1c(Cl)cccc1Cl","N#Cc1c(cccc1Cl)Cl","",1,"2,6-DICHLOROBENZONITRILE(1)","1194-65-6(1)","2867","High Reliability"]
[3344,"OC(=O)c1c(Cl)c(Cl)ccc1Cl\nOC(=O)c1c(Cl)ccc(Cl)c1Cl\n\n","Clc1ccc(c(c1Cl)C(=O)O)Cl","O=C(O)c1c(ccc(c1Cl)Cl)Cl","",1,"2,3,6-TRICHLOROBENZOIC ACID(1)","50-31-7(1)","17","High Reliability"]
[3345,"OC(=O)c1cc(Cl)c(Cl)cc1Cl\n\n\n","Clc1cc(C(=O)O)c(cc1Cl)Cl","O=C(O)c1cc(c(cc1Cl)Cl)Cl","",1,"2,4,5-TRICHLOROBENZOIC ACID(1)","50-82-8(1)","34","High Reliability"]
[3346,"OCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl\nOC(Cl)(Cl)c1ccc(Cl)c(Cl)c1Cl\n\n","OCc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl","OCc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","",1,"pentachlorobenzylalcohol(1)","16022-69-8(1)","4089","Medium Reliability","Name verified in PubChem"]
[3347,"[O-][N+](=O)c1c(cc(Cl)cc1)C(F)(F)F\n[O-][N+](=O)c1ccc(Cl)cc1C(F)(F)F\n\n","Clc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1C(F)(F)F)Cl","",1,"4-CHLORO-1-NITRO-2(TRIFLUOROMETHYL)BENZENE(1)","118-83-2(1)","1326","High Reliability"]
[3348,"Oc1c(I)cc(cc1I)C#N\n\n\n","N#Cc1cc(I)c(c(c1)I)O","N#Cc1cc(c(O)c(c1)I)I","",1,"IOXYNIL(1)","1689-83-4(1)","2961","High Reliability"]
[3349,"OC(=O)c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc(cc(c1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","",1,"2,4,6-TRINITROBENZOIC ACID(1)","129-66-8(1)","1492","High Reliability","Checked on PubChem, Checked on ChemID"]
[3350,"Brc1cc(C=O)c(Br)cc1\nBrc1ccc(Br)c(C=O)c1\n\n","O=Cc1cc(Br)ccc1Br","O=Cc1cc(ccc1Br)Br","",1,"2,5-Dibromobenzaldehyde(1)","74553-29-0(1)","5209","Medium Reliability"]
[3351,"OC(=O)c1c(Br)c(O)c(O)c(O)c1Br\n\n\n","OC(=O)c1c(Br)c(O)c(c(c1Br)O)O","O=C(O)c1c(c(O)c(O)c(O)c1Br)Br","",1,"Benzoic acid, 2,6-dibromo-3,4,5-trihydroxy-(1)","602-92-6(1)","2371","Medium Reliability","Checked on PubChem, Checked on ChemID"]
[3352,"OC(=O)c1c(Cl)ccc(Br)c1\nOC(=O)c1cc(Br)ccc1Cl\n[O-]C(=O)c1cc(Br)ccc1Cl\n","Brc1ccc(c(c1)C(=O)O)Cl","O=C(O)c1cc(ccc1Cl)Br","",1,"Benzoic acid, 5-bromo-2-chloro-(1)","21739-92-4(1)","4301","High Reliability"]
[3353,"OC(=O)c1cc(c(Br)cc1)[N+]([O-])=O\nOC(=O)c1ccc(Br)c(c1)[N+]([O-])=O\n\n","[O-][N+](=O)c1cc(ccc1Br)C(=O)O","O=C(O)c1ccc(c(c1)[N+](=O)[O-])Br","",1,"Benzoic acid, 4-bromo-3-nitro-(1)","6319-40-0(1)","3740","High Reliability"]
[3354,"Brc1cccc(c1)N=C=S\n\n\n","S=C=Nc1cccc(c1)Br","C(=Nc1cccc(c1)Br)=S","",1,"BENZENE, 1-BROMO-3-ISOTHIOCYANATO-(1)","2131-59-1(1)","3102","High Reliability"]
[3355,"OC(=O)c1ccc(Cl)cc1Cl\n\n\n","Clc1ccc(c(c1)Cl)C(=O)O","O=C(O)c1ccc(cc1Cl)Cl","",1,"2,4-DICHLOROBENZOIC ACID(1)","50-84-0(1)","35","High Reliability"]
[3356,"OC(=O)c1cc(Cl)ccc1Cl\n\n\n","Clc1ccc(c(c1)C(=O)O)Cl","O=C(O)c1cc(ccc1Cl)Cl","",1,"2,5-DICHLOROBENZOIC ACID(1)","50-79-3(1)","32","High Reliability"]
[3357,"OC(=O)c1c(Cl)cccc1Cl\n\n\n","OC(=O)c1c(Cl)cccc1Cl","O=C(O)c1c(cccc1Cl)Cl","",1,"2,6-DICHLOROBENZOIC ACID(1)","50-30-6(1)","16","High Reliability"]
[3358,"OC(=O)c1cc(Cl)cc(Cl)c1\n\n\n","OC(=O)c1cc(Cl)cc(c1)Cl","O=C(O)c1cc(cc(c1)Cl)Cl","",1,"3,5-DICHLOROBENZOIC ACID(1)","51-36-5(1)","45","High Reliability"]
[3359,"OC(=O)c1ccc(Cl)c(Cl)c1\n\n\n","OC(=O)c1ccc(c(c1)Cl)Cl","O=C(O)c1ccc(c(c1)Cl)Cl","",1,"3,4-DICHLOROBENZOIC ACID(1)","51-44-5(1)","48","High Reliability"]
[3360,"OC(=O)COc1c(Cl)cc(Cl)c(Cl)n1\nOC(=O)COc1nc(Cl)c(Cl)cc1Cl\n\n","OC(=O)COc1nc(Cl)c(cc1Cl)Cl","O=C(O)COc1nc(c(cc1Cl)Cl)Cl","",1,"TRICLOPYR(1)","55335-06-3(1)","4911","High Reliability"]
[3361,"COc1cc(Cl)c(Cl)c(Cl)c1Cl\n\n\n","COc1cc(Cl)c(c(c1Cl)Cl)Cl","O(c1cc(c(c(c1Cl)Cl)Cl)Cl)C","",1,"2,3,4,5-TETRACHLOROANISOLE(1)","938-86-3(1)","2762","High Reliability"]
[3362,"COc1c(Cl)c(Cl)cc(Cl)c1Cl\n\n\n","COc1c(Cl)c(Cl)cc(c1Cl)Cl","O(c1c(c(cc(c1Cl)Cl)Cl)Cl)C","",1,"BENZENE, 1,2,4,5-TETRACHLORO-3-METHOXY-(1)","6936-40-9(1)","3798","High Reliability","Checked on PubChem, Checked on ChemID"]
[3363,"Cc1c(Cl)c(Cl)c(Cl)c(O)c1Cl\n\n\n","Cc1c(Cl)c(O)c(c(c1Cl)Cl)Cl","Oc1c(c(c(c(c1Cl)Cl)Cl)C)Cl","",1,"Phenol, 2,3,4,6-tetrachloro-5-methyl-(1)","10460-33-0(1)","3923","Medium Reliability"]
[3364,"COc1c(Cl)c(Cl)c(Cl)c(Cl)c1O\nCOc1cc(Cl)c(Cl)c(Cl)c1OCl\n\n","COc1c(O)c(Cl)c(c(c1Cl)Cl)Cl","Oc1c(OC)c(c(c(c1Cl)Cl)Cl)Cl","",1,"tetrachloroguaiacol(1)","2539-17-5(1)","3232","High Reliability","Name verified in PubChem"]
[3365,"OC(=O)c1c(ccc(Cl)c1)[N+]([O-])=O\nOC(=O)c1cc(Cl)ccc1[N+]([O-])=O\n\n","Clc1ccc(c(c1)C(=O)O)[N+](=O)[O-]","O=C(O)c1cc(ccc1[N+](=O)[O-])Cl","",1,"2-NITRO-5-CHLOROBENZOIC ACID(1)","2516-95-2(1)","3226","Medium Reliability"]
[3366,"OC(=O)c1c(c(Cl)ccc1)[N+]([O-])=O\nOC(=O)c1cccc(Cl)c1[N+]([O-])=O\n[O-]C(=O)c1cccc(Cl)c1[N+]([O-])=O\n","[O-][N+](=O)c1c(Cl)cccc1C(=O)O","O=C(O)c1cccc(c1[N+](=O)[O-])Cl","",1,"3-Chloro-2-nitrobenzoic acid(1)","4771-47-5(1)","3533","High Reliability"]
[3367,"OC(=O)c1cc(ccc1Cl)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)C(=O)O)Cl","O=C(O)c1cc(ccc1Cl)[N+](=O)[O-]","",1,"2-CHLORO-5-NITROBENZOIC ACID(1)","2516-96-3(1)","3227","High Reliability"]
[3368,"Clc1cccc(c1)N=C=S\n\n\n","S=C=Nc1cccc(c1)Cl","C(=Nc1cccc(c1)Cl)=S","",1,"1-CHLORO-3-ISOTHIOCYANATO-BENZENE(1)","2392-68-9(1)","3189","Medium Reliability"]
[3369,"Oc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F\nOc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O\n\n","Oc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]","O=[N+]([O-])c1ccc(O)cc1C(F)(F)F","",1,"3-TRIFLUOROMETHYL-4-NITROPHENOL(1)","88-30-2(1)","614","Medium Reliability"]
[3370,"OC(=O)c1cc(c(F)cc1)[N+]([O-])=O\nOC(=O)c1ccc(F)c(c1)[N+]([O-])=O\n\n","[O-][N+](=O)c1cc(ccc1F)C(=O)O","O=C(O)c1ccc(F)c(c1)[N+](=O)[O-]","",1,"Benzoic acid, 4-fluoro-3-nitro-(1)","453-71-4(1)","1796","High Reliability"]
[3371,"Oc1c(C=O)cc(I)cc1I\nOc1c(I)cc(I)cc1C=O\n\n","O=Cc1cc(I)cc(c1O)I","O=Cc1cc(cc(c1(O))I)I","",1,"Benzaldehyde, 2-hydroxy-3,5-diiodo-(1)","2631-77-8(1)","3262","High Reliability"]
[3372,"OC(=O)c1c(O)c(I)cc(I)c1\nOC(=O)c1cc(I)cc(I)c1O\n\n","Ic1cc(I)c(c(c1)C(=O)O)O","O=C(O)c1cc(cc(c1(O))I)I","",1,"3,5-DIIODOSALICYLIC ACID(1)","133-91-5(1)","1518","High Reliability"]
[3373,"OC(=O)c1cc(c(cc1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O","O=C(O)c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]","",1,"3,4-DINITROBENZOIC ACID(1)","528-45-0(1)","2007","High Reliability"]
[3374,"OC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","",1,"3,5-DINITROBENZOIC ACID(1)","99-34-3(1)","845","High Reliability"]
[3375,"OC(=O)c1c(cc(cc1)[N+]([O-])=O)[N+]([O-])=O\nOC(=O)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O\n\n","[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-]","O=C(O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]","",1,"2,4-DINITROBENZOIC ACID(1)","610-30-0(1)","2408","High Reliability"]
[3376,"OC(=O)c1cc(=O)cc(o1)C(O)=O\n\n\n","OC(=O)c1oc(cc(=O)c1)C(=O)O","O=C(O)C=1OC(=CC(=O)C=1)C(=O)O","",1,"4-OXO-4H-PYRAN-2,6-DICARBOXYLIC ACID(1)","99-32-1(1)","844","High Reliability"]
[3377,"OC(=O)c1cc(=O)c(O)c(o1)C(O)=O\nOC(O)=C1OC(=CC(=O)C1=O)C(O)=O\n\n","OC(=O)c1cc(=O)c(c(o1)C(=O)O)O","O=C(O)C=1OC(C(=O)O)=C(O)C(=O)C=1","",1,"3-HYDROXY-4-OXO-4H-PYRAN-2,6-DICARBOXYLIC ACID(1)","497-59-6(1)","1898","High Reliability"]
[3378,"Oc1ccc(Br)ccc1=O\n\n\n","Brc1ccc(=O)c(cc1)O","O=C1C=CC(=CC=C1(O))Br","",1,"2,4,6-Cycloheptatrien-1-one, 5-bromo-2-hydroxy-(1)","3172-00-7(1)","3342","Medium Reliability"]
[3379,"Oc1c(Br)ccccc1=O\n\n\n","Oc1c(Br)ccccc1=O","O=C1C=CC=CC(=C1(O))Br","",1,"2,4,6-Cycloheptatrien-1-one, 3-bromo-2-hydroxy-(1)","4584-68-3(1)","3512","High Reliability"]
[3380,"Oc1c(C=O)cc(Br)cc1\nOc1ccc(Br)cc1C=O\n\n","O=Cc1cc(Br)ccc1O","O=Cc1cc(ccc1(O))Br","",1,"Benzaldehyde, 5-bromo-2-hydroxy-(1)","1761-61-1(1)","2983","High Reliability"]
[3381,"OC(=O)c1cc(Br)ccc1\n\n\n","Brc1cccc(c1)C(=O)O","O=C(O)c1cccc(c1)Br","",1,"M-BROMOBENZOIC ACID(1)","585-76-2(1)","2251","High Reliability"]
[3382,"OC(=O)c1ccc(Br)cc1\n\n\n","OC(=O)c1ccc(cc1)Br","O=C(O)c1ccc(cc1)Br","",1,"P-BROMOBENZOIC ACID(1)","586-76-5(1)","2259","High Reliability"]
[3383,"Oc1c(Br)cc(C=O)cc1\nOc1ccc(C=O)cc1Br\n\n","O=Cc1ccc(c(c1)Br)O","O=Cc1ccc(O)c(c1)Br","",1,"BENZALDEHYDE, 3-BROMO-4-HYDROXY-(1)","2973-78-6(1)","3304","High Reliability"]
[3384,"OC(=O)c1c(Br)cccc1\nBrOC(=O)c1ccccc1\nOC(=O)c1ccccc1Br\n","OC(=O)c1ccccc1Br","O=C(O)c1ccccc1Br","",1,"o-bromobenzoicacid(1)","88-65-3(1)","616","High Reliability","Name verified in PubChem"]
[3385,"Nc1c(Cl)c(F)nc(OCC(O)=O)c1Cl\n\n\n","OC(=O)COc1nc(F)c(c(c1Cl)N)Cl","O=C(O)COc1nc(F)c(c(N)c1Cl)Cl","",1,"Fluroxypyr(1)","69377-81-7(1)","5119","High Reliability"]
[3386,"NC(=O)c1c(Cl)cccc1Cl\n\n\n","NC(=O)c1c(Cl)cccc1Cl","O=C(N)c1c(cccc1Cl)Cl","",1,"2,6-DICHLOROBENZAMIDE(1)","2008-58-4(1)","3065","High Reliability"]
[3387,"Nc1c(Cl)c(cc(Cl)c1)C(O)=O\nNc1cc(Cl)cc(C(O)=O)c1Cl\n\n","Clc1cc(N)c(c(c1)C(=O)O)Cl","O=C(O)c1cc(cc(N)c1Cl)Cl","",1,"3-AMINO-2,5-DICHLOROBENZOIC ACID(1)","133-90-4(1)","1517","High Reliability"]
[3388,"NC(=S)c1c(Cl)cccc1Cl\n\n\n","NC(=S)c1c(Cl)cccc1Cl","NC(c1c(cccc1Cl)Cl)=S","",1,"CHLORTHIAMID(1)","1918-13-4(1)","3028","High Reliability"]
[3389,"ClC(Cl)(Cl)c1ccccc1\n\n\n","ClC(c1ccccc1)(Cl)Cl","c1ccc(cc1)C(Cl)(Cl)Cl","",1,"BENZOTRICHLORIDE(1)","98-07-7(1)","810","High Reliability"]
[3390,"COc1c(Cl)c(Cl)c(Cl)cc1\n\n\n","COc1ccc(c(c1Cl)Cl)Cl","O(c1ccc(c(c1Cl)Cl)Cl)C","",1,"1,2,3-TRICHLORO-4-METHOXYBENZENE(1)","54135-80-7(1)","4887","High Reliability"]
[3391,"COc1c(Cl)cc(Cl)cc1Cl\n\n\n","COc1c(Cl)cc(cc1Cl)Cl","O(c1c(cc(cc1Cl)Cl)Cl)C","",1,"2,4,6-TRICHLOROANISOLE(1)","87-40-1(1)","587","High Reliability"]
[3392,"Cc1c(Cl)c(O)c(Cl)cc1Cl\n\n\n","Cc1c(Cl)cc(c(c1Cl)O)Cl","Oc1c(cc(c(c1Cl)C)Cl)Cl","",1,"2,4,6-TRICHLORO-3-METHYLPHENOL(1)","551-76-8(1)","2128","High Reliability"]
[3393,"OCc1cc(Cl)c(Cl)c(Cl)c1\n\n\n","OCc1cc(Cl)c(c(c1)Cl)Cl","OCc1cc(c(c(c1)Cl)Cl)Cl","",1,"Benzenemethanol, 3,4,5-trichloro-(1)","7520-67-4(1)","3854","Medium Reliability"]
[3394,"COc1c(Cl)c(Cl)c(Cl)cc1O\n\n\n","COc1c(O)cc(c(c1Cl)Cl)Cl","Oc1cc(c(c(c1(OC))Cl)Cl)Cl","",1,"3,4,5-TRICHLORO-2-METHOXYPHENOL(1)","57057-83-7(1)","4940","High Reliability"]
[3395,"OC(=O)c1cccc(Cl)c1\n\n\n","Clc1cccc(c1)C(=O)O","O=C(O)c1cccc(c1)Cl","",1,"M-CHLOROBENZOIC ACID(1)","535-80-8(1)","2036","High Reliability"]
[3396,"OC(=O)c1ccc(Cl)cc1\n\n\n","OC(=O)c1ccc(cc1)Cl","O=C(O)c1ccc(cc1)Cl","",1,"4-CHLOROBENZOIC ACID(1)","74-11-3(1)","305","High Reliability"]
[3397,"OC(=O)c1ccccc1Cl\n\n\n","OC(=O)c1ccccc1Cl","O=C(O)c1ccccc1Cl","",1,"2-CHLOROBENZOIC ACID(1)","118-91-2(1)","1328","High Reliability"]
[3398,"OC(=O)c1c(O)ccc(Cl)c1\nOC(=O)c1cc(Cl)ccc1O\n\n","Clc1ccc(c(c1)C(=O)O)O","O=C(O)c1cc(ccc1(O))Cl","",1,"5-CHLOROSALICYLIC ACID(1)","321-14-2(1)","1728","High Reliability"]
[3399,"OC(=O)c1c(O)c(Cl)ccc1\nOC(=O)c1cccc(Cl)c1O\n\n","OC(=O)c1cccc(c1O)Cl","O=C(O)c1cccc(c1(O))Cl","",1,"Benzoic acid, 3-chloro-2-hydroxy-(1)","1829-32-9(1)","2994","Medium Reliability"]
[3400,"FC(F)(F)c1ccccc1\n\n\n","FC(c1ccccc1)(F)F","FC(F)(F)c1ccccc1","",1,"BENZOTRIFLUORIDE(1)","98-08-8(1)","811","High Reliability"]
[3401,"OC(=O)c1cc(F)ccc1\n\n\n","Fc1cccc(c1)C(=O)O","O=C(O)c1cccc(F)c1","",1,"M-FLUOROBENZOIC ACID(1)","455-38-9(1)","1797","High Reliability"]
[3402,"OC(=O)c1ccc(F)cc1\n\n\n","OC(=O)c1ccc(cc1)F","O=C(O)c1ccc(F)cc1","",1,"P-FLUOROBENZOIC ACID(1)","456-22-4(1)","1798","High Reliability"]
[3403,"OC(=O)c1ccccc1F\n\n\n","OC(=O)c1ccccc1F","O=C(O)c1ccccc1(F)","",1,"2-FLUOROBENZOIC ACID(1)","445-29-4(1)","1790","High Reliability"]
[3404,"OCCNCCO.OC(=O)Cn1cc(I)c(=O)c(I)c1\nOCC[NH2+]CCO.[O-]C(=O)Cn1cc(I)c(=O)c(c1)I\n\n","OC(=O)Cn1cc(I)c(=O)c(c1)I","O=C(O)CN1C=C(C(=O)C(=C1)I)I","",1,"Iodopyracet(1)","300-37-8(1)","1701","High Reliability","Differences in counterions, Organic counterion"]
[3405,"OC(=O)c1cc(I)ccc1\n\n\n","Ic1cccc(c1)C(=O)O","O=C(O)c1cccc(c1)I","",1,"3-IODOBENZOIC ACID(1)","618-51-9(1)","2464","High Reliability"]
[3406,"OC(=O)c1ccc(I)cc1\n\n\n","OC(=O)c1ccc(cc1)I","O=C(O)c1ccc(cc1)I","",1,"4-IODOBENZOIC ACID(1)","619-58-9(1)","2472","High Reliability"]
[3407,"OC(=O)c1ccccc1I\n\n\n","OC(=O)c1ccccc1I","O=C(O)c1ccccc1I","",1,"2-IODOBENZOIC ACID(1)","88-67-5(1)","617","High Reliability"]
[3408,"N#Cc1ccccc1\n\n\n","N#Cc1ccccc1","N#Cc1ccccc1","",1,"BENZONITRILE(1)","100-47-0(1)","881","High Reliability"]
[3409,"O=c1nc[nH]c2c1nccc2\nO=c1nc[nH]c2cccnc12\n\n","O=c1nc[nH]c2c1nccc2","O=C1N=CNc2cccnc12","",1,"Pyrido[3,2-d]pyrimidin-4(1H)-one(1)","37538-67-3(1)","4647","Medium Reliability"]
[3410,"Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])C)[N+](=O)[O-]","",1,"2,4,6-TRINITROTOLUENE(1)","118-96-7(1)","1330","High Reliability"]
[3411,"COc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(c(OC)c(c1)[N+](=O)[O-])[N+](=O)[O-]","",1,"2,4,6-TRINITROANISOLE(1)","606-35-9(1)","2385","Medium Reliability"]
[3412,"Cc1c(c(O)c(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])O","O=[N+]([O-])c1cc(c(c(c1(O))[N+](=O)[O-])C)[N+](=O)[O-]","",1,"3-METHYL-2,4,6-TRINITROPHENOL(1)","602-99-3(1)","2372","High Reliability"]
[3413,"CN(c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])N([N+](=O)[O-])C)[N+](=O)[O-]","",1,"TETRYL(1)","479-45-8(1)","1844","High Reliability"]
[3414,"o1cnc2ccccc12\n\n\n","c1ccc2c(c1)ocn2","n1coc2ccccc12","",1,"BENZOXAZOLE(1)","273-53-0(1)","1675","High Reliability"]
[3415,"[O-][N+](=O)c1ccc(C=O)cc1\n\n\n","O=Cc1ccc(cc1)[N+](=O)[O-]","O=Cc1ccc(cc1)[N+](=O)[O-]","",1,"4-NITROBENZALDEHYDE(1)","555-16-8(1)","2146","High Reliability"]
[3416,"[O-][N+](=O)c1cccc(C=O)c1\n\n\n","O=Cc1cccc(c1)[N+](=O)[O-]","O=Cc1cccc(c1)[N+](=O)[O-]","",1,"M-NITROBENZALDEHYDE(1)","99-61-6(1)","852","High Reliability"]
[3417,"[O-][N+](=O)c1c(C=O)cccc1\n[O-][N+](=O)c1ccccc1C=O\n\n","O=Cc1ccccc1[N+](=O)[O-]","O=Cc1ccccc1[N+](=O)[O-]","",1,"O-NITROBENZALDEHYDE(1)","552-89-6(1)","2134","High Reliability"]
[3418,"O=C1NS(=O)(=O)c2c1cccc2\nO=C1NS(=O)(=O)c2ccccc12\n\n","O=C1NS(=O)(=O)c2c1cccc2","O=C1NS(=O)(=O)c2ccccc12","",1,"1,1-DIOX-1,2-BENZISOTHIAZOL-3-ONE(1)","81-07-2(1)","503","Medium Reliability"]
[3419,"Oc1c(cc(C=O)cc1)[N+]([O-])=O\nOc1ccc(C=O)cc1[N+]([O-])=O\n\n","O=Cc1ccc(c(c1)[N+](=O)[O-])O","O=Cc1ccc(O)c(c1)[N+](=O)[O-]","",1,"4-FORMYL-2-NITROPHENOL(1)","3011-34-5(1)","3313","High Reliability"]
[3420,"OC(=O)c1ccc(nc1)C(O)=O\n\n\n","OC(=O)c1ccc(cn1)C(=O)O","O=C(O)c1ncc(cc1)C(=O)O","",1,"PYRIDINE-2,5-DICARBOXYLIC ACID(1)","100-26-5(1)","873","High Reliability"]
[3421,"OC(=O)c1c(cncc1)C(O)=O\nOC(=O)c1ccncc1C(O)=O\n\n","OC(=O)c1cnccc1C(=O)O","O=C(O)c1cnccc1(C(=O)O)","",1,"CINCHOMERONIC ACID(1)","490-11-9(1)","1872","High Reliability"]
[3422,"OC(=O)c1cc(ncc1)C(O)=O\n\n\n","OC(=O)c1ccnc(c1)C(=O)O","O=C(O)c1nccc(c1)C(=O)O","",1,"2,4-PYRIDINEDICARBOXYLIC ACID(1)","499-80-9(1)","1908","High Reliability"]
[3423,"OC(=O)c1cccc(n1)C(O)=O\n\n\n","OC(=O)c1cccc(n1)C(=O)O","O=C(O)c1nc(ccc1)C(=O)O","",1,"PYRIDINE-2,6-DICARBOXYLIC ACID(1)","499-83-2(1)","1910","High Reliability"]
[3424,"OC(=O)c1c(nccc1)C(O)=O\nOC(=O)c1cccnc1C(O)=O\n\n","OC(=O)c1ncccc1C(=O)O","O=C(O)c1ncccc1(C(=O)O)","",1,"QUINOLINIC ACID(1)","89-00-9(1)","627","High Reliability"]
[3425,"OC(=O)c1ccc(cc1)[N+]([O-])=O\n\n\n","OC(=O)c1ccc(cc1)[N+](=O)[O-]","O=C(O)c1ccc(cc1)[N+](=O)[O-]","",1,"P-NITROBENZOIC ACID(1)","62-23-7(1)","204","High Reliability"]
[3426,"OC(=O)c1cccc(c1)[N+]([O-])=O\n\n\n","OC(=O)c1cccc(c1)[N+](=O)[O-]","O=C(O)c1cccc(c1)[N+](=O)[O-]","",1,"M-NITROBENZOIC ACID(1)","121-92-6(1)","1383","High Reliability"]
[3427,"OC(=O)c1ccccc1[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccccc1C(=O)O","O=C(O)c1ccccc1[N+](=O)[O-]","",1,"2-NITROBENZOIC ACID(1)","552-16-9(1)","2129","High Reliability"]
[3428,"OC(=O)c1c(O)ccc(c1)[N+]([O-])=O\nOC(=O)c1cc(ccc1O)[N+]([O-])=O\n\n","[O-][N+](=O)c1ccc(c(c1)C(=O)O)O","O=C(O)c1cc(ccc1(O))[N+](=O)[O-]","",1,"5-NITROSALICYLIC ACID(1)","96-97-9(1)","789","Medium Reliability"]
[3429,"Sc1nc2ccccc2o1\nS=c1[nH]c2ccccc2o1\n\n","Sc1nc2c(o1)cccc2","n1c(oc2ccccc12)S","",1,"2(3H)-Benzoxazolethione(1)","2382-96-9(1)","3186","High Reliability"]
[3430,"Oc1c2ncsc2ccc1\nOc1cccc2scnc12\n\n","Oc1cccc2c1ncs2","Oc2cccc1c2(ncs1)","",1,"4-Benzothiazolol(1)","7405-23-4(1)","3838","High Reliability"]
[3431,"s1cnc2ccccc12\n\n\n","c1ccc2c(c1)scn2","n1csc2ccccc12","",1,"BENZOTHIAZOLE(1)","95-16-9(1)","741","High Reliability"]
[3432,"S=C=Nc1ccccc1\n\n\n","S=C=Nc1ccccc1","C(=Nc1ccccc1)=S","",1,"PHENYLISOTHIOCYANATE(1)","103-72-0(1)","938","High Reliability"]
[3433,"Sc1nc2c(s1)cccc2\nSc1sc2ccccc2n1\nS=c1[nH]c2ccccc2s1\n","Sc1nc2c(s1)cccc2","n2c1ccccc1sc2S","",1,"2-MERCAPTOBENZOTHIAZOLE(1)","149-30-4(1)","1619","High Reliability"]
[3434,"Cc1cc(Cl)c(Cl)cc1\n\n\n","Cc1ccc(c(c1)Cl)Cl","c1cc(c(cc1C)Cl)Cl","",1,"3,4-DICHLOROTOLUENE(1)","95-75-0(1)","755","High Reliability"]
[3435,"ClC(Cl)c1ccccc1\n\n\n","ClC(c1ccccc1)Cl","c1ccc(cc1)C(Cl)Cl","",1,"(DICHLOROMETHYL)BENZENE(1)","98-87-3(1)","829","High Reliability"]
[3436,"NC(=O)c1cc(Cl)cc(Cl)c1N\n\n\n","Clc1cc(Cl)c(c(c1)C(=O)N)N","O=C(N)c1cc(cc(c1(N))Cl)Cl","",1,"BENZAMIDE, 2-AMINO-3,5-DICHLORO-(1)","36765-01-2(1)","4638","High Reliability","Checked on PubChem, Checked on ChemID"]
[3437,"COc1c(Cl)c(Cl)ccc1\nCOc1cccc(Cl)c1Cl\n\n","COc1cccc(c1Cl)Cl","O(c1cccc(c1Cl)Cl)C","",1,"Benzene, 1,2-dichloro-3-methoxy-(1)","1984-59-4(1)","3059","High Reliability"]
[3438,"COc1c(Cl)cccc1Cl\n\n\n","COc1c(Cl)cccc1Cl","O(c1c(cccc1Cl)Cl)C","",1,"Benzene, 1,3-dichloro-2-methoxy-(1)","1984-65-2(1)","3060","High Reliability"]
[3439,"Cc1c(O)c(Cl)cc(Cl)c1\n\n\n","Clc1cc(C)c(c(c1)Cl)O","Oc1c(cc(cc1Cl)Cl)C","",1,"4,6-DICHLORO-O-CRESOL(1)","1570-65-6(1)","2929","High Reliability"]
[3440,"Cc1cc(Cl)c(O)c(Cl)c1\n\n\n","Cc1cc(Cl)c(c(c1)Cl)O","Oc1c(cc(cc1Cl)C)Cl","",1,"4-METHYL-2,6-DICHLOROPHENOL(1)","2432-12-4(1)","3203","High Reliability"]
[3441,"OCc1c(Cl)cccc1Cl\n\n\n","OCc1c(Cl)cccc1Cl","OCc1c(cccc1Cl)Cl","",1,"BENZENEMETHANOL, 2,6-DICHLORO-(1)","15258-73-8(1)","4061","High Reliability"]
[3442,"OCc1cc(Cl)c(Cl)cc1\nOCc1ccc(Cl)c(Cl)c1\n\n","OCc1ccc(c(c1)Cl)Cl","OCc1ccc(c(c1)Cl)Cl","",1,"3,4-DICHLOROBENZYL ALCOHOL(1)","1805-32-9(1)","2989","High Reliability"]
[3443,"OCc1c(Cl)cc(Cl)cc1\nOCc1ccc(Cl)cc1Cl\n\n","OCc1ccc(cc1Cl)Cl","OCc1ccc(cc1Cl)Cl","",1,"BENZENEMETHANOL, 2,4-DICHLORO-(1)","1777-82-8(1)","2985","High Reliability"]
[3444,"Fc1ccc(CCl)cc1\n\n\n","ClCc1ccc(cc1)F","Fc1ccc(cc1)CCl","",1,"P-FLUOROBENZYL CHLORIDE(1)","352-11-4(1)","1747","Medium Reliability"]
[3445,"Fc1cccc(CCl)c1\n\n\n","ClCc1cccc(c1)F","Fc1cccc(c1)CCl","",1,"M-FLUOROBENZYL CHLORIDE(1)","456-42-8(1)","1799","High Reliability"]
[3446,"Fc1c(CCl)cccc1\n\n\n","ClCc1ccccc1F","Fc1ccccc1CCl","",1,"O-FLUOROBENZYL CHLORIDE(1)","345-35-7(1)","1745","High Reliability"]
[3447,"NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O\nNS(=O)(=O)c1cc2c(NC=NS2(=O)=O)cc1Cl\n\n","Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N","O=S(=O)(N)c2cc1c(N=CNS1(=O)(=O))cc2Cl","",1,"CHLOROTHIAZIDE(1)","58-94-6(1)","162","High Reliability"]
[3448,"Cc1cc(O)c(cc1Cl)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc(Cl)c(cc1O)C","O=[N+]([O-])c1cc(c(cc1(O))C)Cl","",1,"4-CHLORO-5-METHYL-2-NITROPHENOL(1)","7147-89-9(1)","3817","High Reliability"]
[3449,"Nc1cc(ccc1)C(F)(F)F\n\n\n","Nc1cccc(c1)C(F)(F)F","FC(F)(F)c1cccc(N)c1","",1,"3-TRIFLUOROMETHYLANILINE(1)","98-16-8(1)","813","High Reliability"]
[3450,"[nH]1ncc2ccccc12\n\n\n","c1ccc2c(c1)[nH]nc2","n1cc2ccccc2([nH]1)","",1,"INDAZOLE(1)","271-44-3(1)","1673","High Reliability"]
[3451,"[nH]1cnc2c1cccc2\n[nH]1cnc2ccccc12\n\n","c1ccc2c(c1)[nH]cn2","n1c[nH]c2ccccc12","",1,"BENZIMIDAZOLE(1)","51-17-2(1)","39","High Reliability"]
[3452,"Nc1cccc(c1)C#N\n\n\n","N#Cc1cccc(c1)N","N#Cc1cccc(N)c1","",1,"M-AMINOBENZONITRILE(1)","2237-30-1(1)","3142","High Reliability"]
[3453,"NC1=NS(=O)(=O)c2ccccc12\n\n\n","NC1=NS(=O)(=O)c2c1cccc2","O=S2(=O)(N=C(N)c1ccccc12)","",1,"1,2-Benzisothiazol-3-amine, 1,1-dioxide(1)","7668-28-2(1)","3866","High Reliability"]
[3454,"Cc1c(cc(cc1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C","O=[N+]([O-])c1ccc(c(c1)[N+](=O)[O-])C","",1,"2,4-DINITROTOLUENE(1)","121-14-2(1)","1368","High Reliability"]
[3455,"Cc1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1[N+](=O)[O-])C","",1,"1,2-DINO2 4-METHYL BENZENE(1)","610-39-9(1)","2409","Medium Reliability"]
[3456,"Cc1c(cccc1[N+]([O-])=O)[N+]([O-])=O\n\n\n","Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cccc(c1C)[N+](=O)[O-]","",1,"2,6-DINITROTOLUENE(1)","606-20-2(1)","2382","High Reliability"]
[3457,"Nc1c(cc(cc1)[N+]([O-])=O)C(O)=O\nNc1ccc(cc1C(O)=O)[N+]([O-])=O\n\n","[O-][N+](=O)c1ccc(c(c1)C(=O)O)N","O=C(O)c1cc(ccc1(N))[N+](=O)[O-]","",1,"2-AMINO-5-NITROBENZOIC ACID(1)","616-79-5(1)","2451","High Reliability"]
[3458,"COc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O\n\n\n","COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1ccc(OC)c(c1)[N+](=O)[O-]","",1,"2,4-DINITROANISOLE(1)","119-27-7(1)","1334","High Reliability"]
[3459,"Cc1c(O)c(cc(c1)[N+]([O-])=O)[N+]([O-])=O\nCc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O\n\n","[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(c(O)c(c1)C)[N+](=O)[O-]","",1,"4,6-DINITRO-O-CRESOL(1)","534-52-1(1)","2032","High Reliability"]
[3460,"Nc1nc2c(O)cccc2s1\n\n\n","Nc1sc2c(n1)c(O)ccc2","Oc2cccc1c2(nc(N)s1)","",1,"4-Benzothiazolol, 2-amino-(1)","7471-03-6(1)","3845","High Reliability"]
[3461,"Nc1ccc(SC#N)cc1\n\n\n","N#CSc1ccc(cc1)N","N#CSc1ccc(N)cc1","",1,"Thiocyanic acid, 4-aminophenyl ester(1)","2987-46-4(1)","3309","High Reliability"]
[3462,"Cc1nc2nccnc2cn1\nCc1ncc2nccnc2n1\n\n","Cc1ncc2c(n1)nccn2","n1ccnc2cnc(nc12)C","",1,"Pteridine, 2-methyl-(1)","2432-20-4(1)","3204","Medium Reliability"]
[3463,"Cc1nc2ncncc2nc1\nCc1cnc2cncnc2n1\n\n","Cc1cnc2c(n1)ncnc2","n1cnc2nc(cnc2(c1))C","",1,"Pteridine, 7-methyl-(1)","936-40-3(1)","2759","Medium Reliability"]
[3464,"Cc1ncnc2nccnc12\n\n\n","Cc1ncnc2c1nccn2","n1cnc(c2nccnc12)C","",1,"Pteridine, 4-methyl-(1)","2432-21-5(1)","3205","Medium Reliability"]
[3465,"Cn1cnc2c(nccn2)c1=O\nCn1cnc2nccnc2c1=O\n\n","Cn1cnc2c(c1=O)nccn2","O=C1c2nccnc2(N=CN1C)","",1,"4(3H)-Pteridinone, 3-methyl-(1)","24851-65-8(1)","4366","Medium Reliability"]
[3466,"Cn1cc2nccnc2nc1=O\n\n\n","Cn1cc2nccnc2nc1=O","O=C1N=C2N=CC=NC2(=CN1C)","",1,"2(3H)-Pteridinone, 3-methyl-(1)","89795-86-8(1)","5341","Medium Reliability"]
[3467,"Cn1c(=O)cnc2cncnc12\n\n\n","Cn1c(=O)cnc2c1ncnc2","O=C2C=Nc1cncnc1N2C","",1,"7(8H)-Pteridinone, 8-methyl-(1)","102169-81-3(1)","5471","Medium Reliability"]
[3468,"Cn1c(=O)ncc2nccnc12\n\n\n","Cn1c(=O)ncc2c1nccn2","O=C2N=Cc1nccnc1N2C","",1,"2(1H)-Pteridinone, 1-methyl-(1)","102170-45-6(1)","5473","Medium Reliability"]
[3469,"COc1ncc2nccnc2n1\n\n\n","COc1ncc2c(n1)nccn2","n1ccnc2cnc(nc12)OC","",1,"Pteridine, 2-methoxy-(1)","102170-44-5(1)","5472","Medium Reliability"]
[3470,"COc1ncnc2c1nccn2\nCOc1ncnc2nccnc12\n\n","COc1ncnc2c1nccn2","n1cnc(OC)c2nccnc12","",1,"Pteridine, 4-methoxy-(1)","30564-38-6(1)","4510","Medium Reliability"]
[3471,"CSc1nc2nccnc2cn1\nCSc1ncc2nccnc2n1\n\n","CSc1ncc2c(n1)nccn2","n1ccnc2cnc(nc12)SC","",1,"Pteridine, 2-(methylthio)-(1)","16878-77-6(1)","4125","Medium Reliability"]
[3472,"CSc1ncnc2c1nccn2\nCSc1ncnc2nccnc12\n\n","CSc1ncnc2c1nccn2","n1cnc(c2nccnc12)SC","",1,"Pteridine, 4-(methylthio)-(1)","6966-78-5(1)","3804","High Reliability"]
[3473,"O=Cc1ccccc1\n\n\n","O=Cc1ccccc1","O=Cc1ccccc1","",1,"BENZALDEHYDE(1)","100-52-7(1)","884","High Reliability"]
[3474,"Oc1ccc(C=O)cc1\n\n\n","O=Cc1ccc(cc1)O","O=Cc1ccc(O)cc1","",1,"4-HYDROXYBENZALDEHYDE(1)","123-08-0(1)","1404","High Reliability"]
[3475,"Oc1cccc(C=O)c1\n\n\n","O=Cc1cccc(c1)O","O=Cc1cccc(O)c1","",1,"3-HYDROXYBENZALDEHYDE(1)","100-83-4(1)","900","High Reliability"]
[3476,"Oc1ccccc1C=O\n\n\n","O=Cc1ccccc1O","O=Cc1ccccc1(O)","",1,"O-HYDROXYBENZALDEHYDE(1)","90-02-8(1)","646","High Reliability"]
[3477,"OC(=O)c1ccccc1\n[Na+].[O-]C(=O)c1ccccc1\nOC(=O)c1c(c(c(c(c1[2H])[2H])[2H])[2H])[2H]\n","OC(=O)c1ccccc1","O=C(O)c1ccccc1","",3,"BENZOIC ACID(1), BENZOIC ACID, SODIUM SALT(1), Benzoic-d5 acid(1)","65-85-0(1), 532-32-1(1), 1079-02-3(1)","239, 2021, 2818","High Reliability","Checked on PubChem, Checked on ChemID"]
[3478,"Oc1c(O)cc(C=O)cc1\nOc1ccc(C=O)cc1O\n\n","O=Cc1ccc(c(c1)O)O","O=Cc1ccc(O)c(O)c1","",1,"3,4-Dihydroxybenzaldehyde(1)","139-85-5(1)","1547","High Reliability"]
[3479,"Oc1cc(C=O)c(O)cc1\nOc1ccc(O)c(C=O)c1\n\n","O=Cc1cc(O)ccc1O","O=Cc1cc(O)ccc1(O)","",1,"2,5-Dihydroxybenzaldehyde(1)","1194-98-5(1)","2868","High Reliability"]
[3480,"OC(=O)c1cc(O)ccc1\n\n\n","Oc1cccc(c1)C(=O)O","O=C(O)c1cccc(O)c1","",1,"M-HYDROXYBENZOIC ACID(1)","99-06-9(1)","837","High Reliability"]
[3481,"OC(=O)c1ccc(O)cc1\n\n\n","Oc1ccc(cc1)C(=O)O","O=C(O)c1ccc(O)cc1","",1,"P-HYDROXYBENZOIC ACID(1)","99-96-7(1)","863","High Reliability"]
[3482,"[Na+].Oc1c(cccc1)C([O-])=O\n[Na+].Oc1ccccc1C([O-])=O\nOC(=O)c1c(O)cccc1\nOC(=O)c1ccccc1O","OC(=O)c1ccccc1O","O=C(O)c1ccccc1(O)","",2,"SODIUM SALICYLATE(1), SALICYLIC ACID(1)","54-21-7(1), 69-72-7(1)","76, 269","High Reliability"]
[3483,"OC(=O)C=Cc1ccco1\n\n\n","OC(=O)C=Cc1ccco1","O=C(O)C=Cc1occc1","",1,"2-PROPENOIC ACID, 3-(2-FURANYL)-(1)","539-47-9(1)","2059","High Reliability","Stereochemistry removed"]
[3484,"OC(=O)c1ccc(O)cc1O\n\n\n","Oc1ccc(c(c1)O)C(=O)O","O=C(O)c1ccc(O)cc1(O)","",1,"2,4-DIHYDROXYBENZOIC ACID(1)","89-86-1(1)","643","High Reliability"]
[3485,"OC(=O)c1c(O)ccc(O)c1\nOC(=O)c1cc(O)ccc1O\n\n","Oc1ccc(c(c1)C(=O)O)O","O=C(O)c1cc(O)ccc1(O)","",1,"2,5-DIHYDROXYBENZOIC ACID(1)","490-79-9(1)","1876","High Reliability"]
[3486,"OC(=O)c1c(O)cccc1O\n\n\n","OC(=O)c1c(O)cccc1O","O=C(O)c1c(O)cccc1(O)","",1,"2,6-DIHYDROXYBENZOIC ACID(1)","303-07-1(1)","1712","High Reliability"]
[3487,"OC(=O)c1cc(O)c(O)cc1\n\n\n","OC(=O)c1ccc(c(c1)O)O","O=C(O)c1ccc(O)c(O)c1","",1,"3,4-DIHYDROXYBENZOIC ACID(1)","99-50-3(1)","848","High Reliability"]
[3488,"OC(=O)c1cc(O)c(O)c(O)c1\n\n\n","OC(=O)c1cc(O)c(c(c1)O)O","O=C(O)c1cc(O)c(O)c(O)c1","",1,"3,4,5-TRIHYDROXYBENZOIC ACID(1)","149-91-7(1)","1622","High Reliability"]
[3489,"OC(=O)c1c(O)c(O)c(O)cc1\nOC(=O)c1ccc(O)c(O)c1O\n\n","OC(=O)c1ccc(c(c1O)O)O","O=C(O)c1ccc(O)c(O)c1(O)","",1,"2,3,4-TRIHYDROXYBENZOIC ACID(1)","610-02-6(1)","2405","High Reliability"]
[3490,"OC(=O)c1c(cccc1)S(O)(=O)=O\nOC(=O)c1ccccc1S(O)(=O)=O\n[NH4+].[O-]C(=O)c1ccccc1S([O-])(=O)=O\n","OC(=O)c1ccccc1S(=O)(=O)O","O=C(O)c1ccccc1S(=O)(=O)O","",1,"BENZOIC ACID, 2-SULFO-(1)","632-25-7(1)","2581","High Reliability","Differences in counterions"]
[3491,"Cc1ccc(Br)cc1\n\n\n","Cc1ccc(cc1)Br","c1cc(ccc1C)Br","",1,"P-BROMOTOLUENE(1)","106-38-7(1)","994","High Reliability"]
[3492,"Cc1cccc(Br)c1\n\n\n","Cc1cccc(c1)Br","c1cc(cc(c1)Br)C","",1,"M-BROMOTOLUENE(1)","591-17-3(1)","2298","High Reliability"]
[3493,"NC(=O)Nc1ccc(Br)cc1\n\n\n","NC(=O)Nc1ccc(cc1)Br","O=C(N)Nc1ccc(cc1)Br","",1,"P-BROMOPHENYLUREA(1)","1967-25-5(1)","3053","Medium Reliability"]
[3494,"Cc1c(Br)ccc(O)c1\n\n\n","Oc1ccc(c(c1)C)Br","Oc1ccc(c(c1)C)Br","",1,"Phenol, 4-bromo-3-methyl-(1)","14472-14-1(1)","4035","High Reliability"]
[3495,"OCc1ccc(Br)cc1\n\n\n","OCc1ccc(cc1)Br","OCc1ccc(cc1)Br","",1,"Benzenemethanol, 4-bromo-(1)","873-75-6(1)","2726","High Reliability"]
[3496,"OCc1ccccc1Br\n\n\n","OCc1ccccc1Br","OCc1ccccc1Br","",1,"Benzenemethanol, 2-bromo-(1)","18982-54-2(1)","4214","High Reliability"]
[3497,"OCc1c(O)ccc(Br)c1\nOCc1cc(Br)ccc1O\n\n","OCc1cc(Br)ccc1O","Oc1ccc(cc1CO)Br","",1,"BENZENEMETHANOL, 5-BROMO-2-HYDROXY-(1)","2316-64-5(1)","3171","High Reliability"]
[3498,"Cc1ccc(Cl)cc1\n\n\n","Cc1ccc(cc1)Cl","c1cc(ccc1C)Cl","",1,"P-CHLOROTOLUENE(1)","106-43-4(1)","998","High Reliability"]
[3499,"Cc1cc(Cl)ccc1\n\n\n","Cc1cccc(c1)Cl","c1cc(cc(c1)Cl)C","",1,"M-CHLOROTOLUENE(1)","108-41-8(1)","1083","High Reliability"]
[3500,"Cc1c(Cl)cccc1\nCc1ccccc1Cl\n\n","Cc1ccccc1Cl","c1ccc(c(c1)C)Cl","",1,"2-CHLOROTOLUENE(1)","95-49-8(1)","745","High Reliability"]
[3501,"ClCc1ccccc1\n\n\n","ClCc1ccccc1","c1ccc(cc1)CCl","",1,"ALPHA-CHLOROTOLUENE(1)","100-44-7(1)","879","High Reliability"]
[3502,"Cc1nc(C)c(Cl)c(O)c1Cl\nCc1c(Cl)c(=O)c(c(C)[nH]1)Cl\n\n","Cc1nc(C)c(c(c1Cl)O)Cl","Oc1c(c(nc(c1Cl)C)C)Cl","",1,"3,5-DICHLORO-2,6-DIMETHYL-4-PYRIDINOL(1)","2971-90-6(1)","3303","High Reliability"]
[3503,"Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl\n\n\n","ClN(S(=O)(=O)c1ccc(cc1)C)Cl","O=S(=O)(c1ccc(cc1)C)N(Cl)Cl","",1,"Benzenesulfonamide, N,N-dichloro-4-methyl-(1)","473-34-7(1)","1831","High Reliability"]
[3504,"COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl\n\n\n","COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC","n1c(OP(OC)(OC)=S)c(cc(c1Cl)Cl)Cl","",1,"CHLORPYRIFOS METHYL(1)","5598-13-0(1)","3635","High Reliability"]
[3505,"Cn1c2c([nH]c(Cl)n2)c(=O)n(C)c1=O\n\n\n","Clc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C","O=C2c1[nH]c(nc1N(C(=O)N2C)C)Cl","",1,"8-CHLOROTHEOPHYLLINE(1)","85-18-7(1)","553","High Reliability"]
[3506,"Cc1c(O)c(Cl)ccc1\n\n\n","Oc1c(C)cccc1Cl","Oc1c(cccc1Cl)C","",1,"2-METHYL-6-CHLOROPHENOL(1)","87-64-9(1)","593","High Reliability"]
[3507,"Cc1c(O)ccc(Cl)c1\n\n\n","Clc1ccc(c(c1)C)O","Oc1ccc(cc1C)Cl","",1,"2-METHYL-4-CHLOROPHENOL(1)","1570-64-5(1)","2928","High Reliability"]
[3508,"Cc1c(Cl)ccc(O)c1\n\n\n","Oc1ccc(c(c1)C)Cl","Oc1ccc(c(c1)C)Cl","",1,"3-METHYL-4-CHLOROPHENOL(1)","59-50-7(1)","170","High Reliability"]
[3509,"COc1cc(Cl)ccc1\n\n\n","COc1cccc(c1)Cl","O(c1cccc(c1)Cl)C","",1,"M-CHLOROANISOLE(1)","2845-89-8(1)","3295","High Reliability"]
[3510,"COc1ccc(Cl)cc1\n\n\n","COc1ccc(cc1)Cl","O(c1ccc(cc1)Cl)C","",1,"4-CHLOROANISOLE(1)","623-12-1(1)","2493","High Reliability"]
[3511,"COc1c(Cl)cccc1\n\n\n","COc1ccccc1Cl","O(c1ccccc1Cl)C","",1,"O-CHLOROANISOLE(1)","766-51-8(1)","2682","High Reliability"]
[3512,"OCc1ccc(Cl)cc1\n\n\n","OCc1ccc(cc1)Cl","OCc1ccc(cc1)Cl","",1,"P-CHLOROBENZYL ALCOHOL(1)","873-76-7(1)","2727","High Reliability"]
[3513,"COc1c(O)ccc(Cl)c1\nCOc1ccc(Cl)cc1O\nCOc1cc(Cl)ccc1O\n","COc1cc(Cl)ccc1O","Oc1ccc(cc1(OC))Cl","",1,"4-chloroguaiacol(1)","16766-30-6(1)","4116","Medium Reliability","Name verified in PubChem"]
[3514,"Cc1cc(I)c(O)cc1\n\n\n","Cc1ccc(c(c1)I)O","Oc1ccc(cc1I)C","",1,"Phenol, 2-iodo-4-methyl-(1)","16188-57-1(1)","4096","Medium Reliability"]
[3515,"Cc1c(O)c(I)ccc1\n\n\n","Oc1c(C)cccc1I","Oc1c(cccc1I)C","",1,"Phenol, 2-iodo-6-methyl-(1)","24885-45-8(1)","4369","Medium Reliability"]
[3516,"OCc1ccc(I)cc1\n\n\n","OCc1ccc(cc1)I","OCc1ccc(cc1)I","",1,"Benzenemethanol, 4-iodo-(1)","18282-51-4(1)","4190","High Reliability"]
[3517,"C=Cc1ccncc1\n\n\n","C=Cc1ccncc1","n1ccc(C=C)cc1","",1,"4-VINYLPYRIDINE(1)","100-43-6(1)","878","High Reliability"]
[3518,"C=Cc1ccccn1\n\n\n","C=Cc1ccccn1","n1ccccc1C=C","",1,"2-VINYLPYRIDINE(1)","100-69-6(1)","894","High Reliability"]
[3519,"Nc1ccc(cc1)S(=O)(=O)NC#N\n\n\n","N#CNS(=O)(=O)c1ccc(cc1)N","N#CNS(=O)(=O)c1ccc(N)cc1","",1,"Benzenesulfonamide, 4-amino-N-cyano-(1)","116-47-2(1)","1302","High Reliability"]
[3520,"CC(=O)NN=Cc1ccc(o1)[N+]([O-])=O\n\n\n","CC(=O)NN=Cc1ccc(o1)[N+](=O)[O-]","O=C(NN=Cc1oc(cc1)[N+](=O)[O-])C","",1,"Nihydrazone(1)","67-28-7(1)","249","High Reliability","Stereochemistry removed"]
[3521,"CNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O\n\n\n","CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1ccc(NC)c(c1)[N+](=O)[O-]","",1,"BENZENAMINE, N-METHYL-2,4-DINITRO-(1)","2044-88-4(1)","3074","High Reliability","Checked on PubChem, Checked on ChemID"]
[3522,"CN=c1[nH]cc2nccnc2n1\nCNc1ncc2nccnc2n1\n\n","CN=c1[nH]cc2c(n1)nccn2","N1=CC=NC2=CNC(N=C12)=NC","",1,"Pteridine, 2-(methylamino)-(1)","19167-57-8(1)","4218","Medium Reliability"]
[3523,"Cn1c(=O)n(C)c2nncnc2c1=O\n\n\n","Cn1c2nncnc2c(=O)n(c1=O)C","O=C2c1ncnnc1N(C(=O)N2C)C","",1,"Fervenulin(1)","483-57-8(1)","1856","High Reliability","Checked on PubChem, Checked on ChemID"]
[3524,"NC(=O)c1ccccc1\n\n\n","NC(=O)c1ccccc1","O=C(N)c1ccccc1","",1,"BENZAMIDE(1)","55-21-0(1)","81","High Reliability"]
[3525,"O=CNc1ccccc1\n\n\n","O=CNc1ccccc1","O=CNc1ccccc1","",1,"FORMANILIDE(1)","103-70-8(1)","937","High Reliability"]
[3526,"Cc1ccc(cc1)[N+]([O-])=O\n\n\n","Cc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1)C","",1,"P-NITROTOLUENE(1)","99-99-0(1)","865","High Reliability"]
[3527,"Cc1cc(ccc1)[N+]([O-])=O\nCc1cccc(c1)[N+]([O-])=O\n\n","Cc1cccc(c1)[N+](=O)[O-]","O=[N+]([O-])c1cccc(c1)C","",1,"3-NITROTOLUENE(1)","99-08-1(1)","838","High Reliability"]
[3528,"Cc1ccccc1[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccccc1C","O=[N+]([O-])c1ccccc1C","",1,"2-NITROTOLUENE(1)","88-72-2(1)","618","High Reliability"]
[3529,"Nc1cccc(c1)C(O)=O\n\n\n","Nc1cccc(c1)C(=O)O","O=C(O)c1cccc(N)c1","",1,"3-AMINOBENZOIC ACID(1)","99-05-8(1)","836","High Reliability"]
[3530,"Nc1ccc(cc1)C(O)=O\n\n\n","OC(=O)c1ccc(cc1)N","O=C(O)c1ccc(N)cc1","",1,"4-AMINOBENZOIC ACID(1)","150-13-0(1)","1623","High Reliability"]
[3531,"Nc1c(cccc1)C(O)=O\nNc1ccccc1C(O)=O\n\n","OC(=O)c1ccccc1N","O=C(O)c1ccccc1(N)","",1,"2-AMINOBENZOIC ACID(1)","118-92-3(1)","1329","High Reliability"]
[3532,"NC(=O)c1ccccc1O\n\n\n","NC(=O)c1ccccc1O","O=C(N)c1ccccc1(O)","",1,"O-HYDROXYBENZAMIDE(1)","65-45-2(1)","235","High Reliability"]
[3533,"O=S1(=O)NCc2ccccc12\n\n\n","O=S1(=O)NCc2c1cccc2","O=S2(=O)(NCc1ccccc12)","",1,"2,3-DIHYDRO-1,2-BENZISOTHIAZOLE-1,1-DIOXIDE(1)","936-16-3(1)","2758","Medium Reliability"]
[3534,"COc1cccc(c1)[N+]([O-])=O\n\n\n","COc1cccc(c1)[N+](=O)[O-]","O=[N+]([O-])c1cccc(OC)c1","",1,"M-NITROANISOLE(1)","555-03-3(1)","2145","High Reliability"]
[3535,"COc1ccc(cc1)[N+]([O-])=O\n\n\n","COc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(OC)cc1","",1,"P-NITROANISOLE(1)","100-17-4(1)","870","High Reliability"]
[3536,"COc1c(cccc1)[N+]([O-])=O\nCOc1ccccc1[N+]([O-])=O\n\n","COc1ccccc1[N+](=O)[O-]","O=[N+]([O-])c1ccccc1(OC)","",1,"2-NITROANISOLE(1)","91-23-6(1)","669","High Reliability"]
[3537,"Cc1ccc(cc1O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)O)C","O=[N+]([O-])c1ccc(c(O)c1)C","",1,"PHENOL, 2-METHYL-5-NITRO-(1)","5428-54-6(1)","3609","High Reliability"]
[3538,"Cc1cc(O)c(cc1)[N+]([O-])=O\nCc1ccc(c(O)c1)[N+]([O-])=O\n\n","Cc1ccc(c(c1)O)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1(O))C","",1,"5-METHYL-2-NITROPHENOL(1)","700-38-9(1)","2647","High Reliability"]
[3539,"Cc1cc(c(O)cc1)[N+]([O-])=O\nCc1ccc(O)c(c1)[N+]([O-])=O\n\n","Cc1ccc(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(ccc1(O))C","",1,"4-METHYL-2-NITROPHENOL(1)","119-33-5(1)","1335","High Reliability"]
[3540,"Cc1c(c(O)ccc1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1c(C)cccc1O","O=[N+]([O-])c1c(O)cccc1C","",1,"3-METHYL-2-NITROPHENOL(1)","4920-77-8(1)","3553","High Reliability"]
[3541,"Cc1c(ccc(O)c1)[N+]([O-])=O\nCc1cc(O)ccc1[N+]([O-])=O\n\n","Oc1ccc(c(c1)C)[N+](=O)[O-]","O=[N+]([O-])c1ccc(O)cc1C","",1,"3-METHYL-4-NITROPHENOL(1)","2581-34-2(1)","3241","High Reliability"]
[3542,"Nc1ccc(C(O)=O)c(O)c1\n\n\n","Nc1ccc(c(c1)O)C(=O)O","O=C(O)c1ccc(N)cc1(O)","",1,"P-AMINOSALICYLIC ACID(1)","65-49-6(1)","236","High Reliability"]
[3543,"OCc1ccc(cc1)[N+]([O-])=O\n\n\n","OCc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1)CO","",1,"P-NITROBENZYL ALCOHOL(1)","619-73-8(1)","2474","High Reliability"]
[3544,"OCc1cc(ccc1)[N+]([O-])=O\n\n\n","OCc1cccc(c1)[N+](=O)[O-]","O=[N+]([O-])c1cccc(c1)CO","",1,"M-NITROBENZYL ALCOHOL(1)","619-25-0(1)","2470","High Reliability"]
[3545,"OCc1ccccc1[N+]([O-])=O\n\n\n","OCc1ccccc1[N+](=O)[O-]","O=[N+]([O-])c1ccccc1CO","",1,"2-NITROBENZYL ALCOHOL(1)","612-25-9(1)","2421","High Reliability"]
[3546,"COc1cc(c(O)cc1)[N+]([O-])=O\n\n\n","COc1ccc(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(OC)ccc1(O)","",1,"4-METHOXY-2-NITROPHENOL(1)","1568-70-3(1)","2925","High Reliability"]
[3547,"OC(=O)CNC(=O)c1ccco1\n\n\n","OC(=O)CNC(=O)c1ccco1","O=C(O)CNC(=O)c1occc1","",1,"Glycine, N-(2-furanylcarbonyl)-(1)","5657-19-2(1)","3649","High Reliability"]
[3548,"Cc1ccc(cc1S(O)(=O)=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C","O=[N+]([O-])c1ccc(c(c1)S(=O)(=O)O)C","",1,"BENZENESULFONIC ACID, 2-METHYL-5-NITRO-(1)","121-03-9(1)","1367","High Reliability"]
[3549,"Nc1c(ccc(c1)S(O)(=O)=O)C(O)=O\nNc1cc(ccc1C(O)=O)S(O)(=O)=O\n\n","OC(=O)c1ccc(cc1N)S(=O)(=O)O","O=C(O)c1ccc(cc1(N))S(=O)(=O)O","",1,"Benzoic acid, 2-amino-4-sulfo-(1)","98-43-1(1)","817","High Reliability"]
[3550,"C1C=CC=CC=C1\n\n\n","C1=CC=CC=CC1","C1=CC=CCC=C1","",1,"CYCLOHEPTATRIENE(1)","544-25-2(1)","2109","High Reliability"]
[3551,"Cc1ccccc1\n\n\n","Cc1ccccc1","c1ccc(cc1)C","",1,"TOLUENE(1)","108-88-3(1)","1108","Medium Reliability"]
[3552,"NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl\n\n\n","Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N","O=S(=O)(N)c1cc2c(cc1Cl)NCNS2(=O)(=O)","",1,"HYDROCHLOROTHIAZIDE(1)","58-93-5(1)","161","High Reliability"]
[3553,"[I-].CN1C=CC=CC1=C[NH+]=O\n\n\n","O=[NH+]C=c1ccccn1C","O=[NH+]C=C1C=CC=CN1C","",1,"Pralidoxime iodide [USAN:INN:JAN](1)","94-63-3(1)","728","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3554,"Nc1cc(cc(N)c1)C(O)=O\n[Cl-].[Cl-].[NH3+]c1cc([NH3+])cc(c1)C(O)=O\n\n","OC(=O)c1cc(N)cc(c1)N","O=C(O)c1cc(N)cc(N)c1","",1,"Benzoic acid, 3,5-diamino-(1)","535-87-5(1)","2037","High Reliability","Differences in counterions"]
[3555,"COc1ccc(N)c(c1)[N+]([O-])=O\n\n\n","COc1ccc(c(c1)[N+](=O)[O-])N","O=[N+]([O-])c1cc(OC)ccc1(N)","",1,"BENZENAMINE, 4-METHOXY-2-NITRO-(1)","96-96-8(1)","788","High Reliability"]
[3556,"COc1c(N)cc(cc1)[N+]([O-])=O\n\n\n","COc1ccc(cc1N)[N+](=O)[O-]","O=[N+]([O-])c1ccc(OC)c(N)c1","",1,"2-METHOXY-5-NITROANILINE(1)","99-59-2(1)","851","High Reliability"]
[3557,"NC(=O)c1ccc(cc1)S(N)(=O)=O\n\n\n","NC(=O)c1ccc(cc1)S(=O)(=O)N","O=C(N)c1ccc(cc1)S(=O)(=O)N","",1,"BENZAMIDE, 4-(AMINOSULFONYL)-(1)","6306-24-7(1)","3736","High Reliability"]
[3558,"NC(=O)c1cc(ccc1)S(N)(=O)=O\nNC(=O)c1cccc(c1)S(N)(=O)=O\n\n","NC(=O)c1cccc(c1)S(=O)(=O)N","O=C(N)c1cccc(c1)S(=O)(=O)N","",1,"BENZAMIDE, 3-(AMINOSULFONYL)-(1)","1576-42-7(1)","2931","Medium Reliability"]
[3559,"NC(=S)Nc1ccccc1\n\n\n","NC(=S)Nc1ccccc1","NC(Nc1ccccc1)=S","",1,"N-PHENYLTHIOUREA(1)","103-85-5(1)","943","High Reliability"]
[3560,"Cn1cnc2c1c(=O)[nH]c(=O)n2C\n\n\n","Cn1cnc2c1c(=O)[nH]c(=O)n2C","O=C1NC(=O)N(c2ncn(c12)C)C","",1,"THEOBROMINE(1)","83-67-0(1)","529","High Reliability"]
[3561,"Cn1c2c([nH]cn2)c(=O)n(C)c1=O\n\n\n","Cn1c(=O)n(C)c2c(c1=O)[nH]cn2","O=C2c1[nH]cnc1N(C(=O)N2C)C","",1,"THEOPHYLLINE(1)","58-55-9(1)","153","High Reliability"]
[3562,"Cc1ccc(O)cc1\n\n\n","Cc1ccc(cc1)O","Oc1ccc(cc1)C","",1,"P-CRESOL(1)","106-44-5(1)","999","High Reliability"]
[3563,"Cc1cc(O)ccc1\n\n\n","Cc1cccc(c1)O","Oc1cccc(c1)C","",1,"M-CRESOL(1)","108-39-4(1)","1082","High Reliability"]
[3564,"Cc1c(O)cccc1\nCc1ccccc1O\n\n","Cc1ccccc1O","Oc1ccccc1C","",1,"O-CRESOL(1)","95-48-7(1)","744","High Reliability"]
[3565,"COc1ccccc1\n\n\n","COc1ccccc1","O(c1ccccc1)C","",1,"ANISOLE(1)","100-66-3(1)","892","High Reliability"]
[3566,"OCc1ccccc1\n\n\n","OCc1ccccc1","OCc1ccccc1","",1,"BENZYL ALCOHOL(1)","100-51-6(1)","883","High Reliability"]
[3567,"Cc1c(O)cccc1O\n\n\n","Oc1cccc(c1C)O","Oc1cccc(O)c1C","",1,"1,3-Benzenediol, 2-methyl-(1)","608-25-3(1)","2391","High Reliability"]
[3568,"COc1cccc(O)c1\n\n\n","COc1cccc(c1)O","Oc1cccc(OC)c1","",1,"M-METHOXYPHENOL(1)","150-19-6(1)","1624","High Reliability"]
[3569,"COc1ccc(O)cc1\n\n\n","COc1ccc(cc1)O","Oc1ccc(OC)cc1","",1,"P-METHOXYPHENOL(1)","150-76-5(1)","1628","High Reliability"]
[3570,"COc1c(O)cccc1\n\n\n","COc1ccccc1O","Oc1ccccc1(OC)","",1,"2-METHOXYPHENOL(1)","90-05-1(1)","648","High Reliability"]
[3571,"OCc1ccc(O)cc1\n\n\n","OCc1ccc(cc1)O","Oc1ccc(cc1)CO","",1,"P-HYDROXYBENZYL ALCOHOL(1)","623-05-2(1)","2491","High Reliability"]
[3572,"OCc1cc(O)ccc1\n\n\n","OCc1cccc(c1)O","Oc1cccc(c1)CO","",1,"M-HYDROXYBENZYL ALCOHOL(1)","620-24-6(1)","2477","Medium Reliability"]
[3573,"OCc1ccccc1O\n\n\n","OCc1ccccc1O","Oc1ccccc1CO","",1,"O-HYDROXYBENZYL ALCOHOL(1)","90-01-7(1)","645","High Reliability"]
[3574,"CSc1cc(O)cc(O)c1\n\n\n","CSc1cc(O)cc(c1)O","Oc1cc(O)cc(c1)SC","",1,"1,3-Benzenediol, 5-(methylthio)-(1)","54839-91-7(1)","4896","Medium Reliability"]
[3575,"COCc1ccc(o1)C=O\n\n\n","COCc1ccc(o1)C=O","O=Cc1oc(cc1)COC","",1,"2-Furancarboxaldehyde, 5-(methoxymethyl)-(1)","1917-64-2(1)","3023","High Reliability"]
[3576,"OCc1c(O)ccc(O)c1\nOCc1cc(O)ccc1O\n\n","OCc1cc(O)ccc1O","Oc1ccc(O)c(c1)CO","",1,"Gentisyl Alcohol(1)","495-08-9(1)","1888","High Reliability"]
[3577,"COS(=O)(=O)c1ccccc1\n\n\n","COS(=O)(=O)c1ccccc1","O=S(=O)(OC)c1ccccc1","",1,"METHYL BENZENESULFONATE(1)","80-18-2(1)","488","High Reliability"]
[3578,"Cc1ccc(cc1)S(O)(=O)=O\n\n\n","Cc1ccc(cc1)S(=O)(=O)O","O=S(=O)(O)c1ccc(cc1)C","",1,"P-TOLUENESULFONIC ACID(1)","104-15-4(1)","948","High Reliability"]
[3579,"OC(=O)CC1(CC(O)=O)OCOC1=O\n\n\n","OC(=O)CC1(OCOC1=O)CC(=O)O","O=C(O)CC1(OCOC1(=O))CC(=O)O","",1,"1,3-Dioxolane-4,4-diacetic acid, 5-oxo-(1)","144-16-1(1)","1598","High Reliability"]
[3580,"CSc1ccccc1\n\n\n","CSc1ccccc1","c1ccc(cc1)SC","",1,"THIOANISOLE(1)","100-68-5(1)","893","High Reliability"]
[3581,"CC(C)C1(Br)C(=O)NC(=O)NC1=O\n\n\n","CC(C1(Br)C(=O)NC(=O)NC1=O)C","O=C1NC(=O)C(C(=O)N1)(C(C)C)Br","",1,"Barbituric acid, 5-bromo-5-isopropyl-(1)","16952-71-9(1)","4126","Medium Reliability"]
[3582,"CCc1ccncc1\n\n\n","CCc1ccncc1","n1ccc(cc1)CC","",1,"4-ETHYLPYRIDINE(1)","536-75-4(1)","2042","High Reliability"]
[3583,"CCc1cccnc1\n\n\n","CCc1cccnc1","n1cccc(c1)CC","",1,"3-ETHYLPYRIDINE(1)","536-78-7(1)","2043","High Reliability"]
[3584,"CCc1ncccc1\n\n\n","CCc1ccccn1","n1ccccc1CC","",1,"2-ETHYLPYRIDINE(1)","100-71-0(1)","895","High Reliability"]
[3585,"Cc1ccc(N)cc1\n\n\n","Cc1ccc(cc1)N","Nc1ccc(cc1)C","",1,"P-TOLUIDINE(1)","106-49-0(1)","1003","High Reliability"]
[3586,"Cc1cc(N)ccc1\n\n\n","Cc1cccc(c1)N","Nc1cccc(c1)C","",1,"M-TOLUIDINE(1)","108-44-1(1)","1086","High Reliability"]
[3587,"Cc1ccc(C)nc1\n\n\n","Cc1ccc(cn1)C","n1cc(ccc1C)C","",1,"2,5-DIMETHYLPYRIDINE(1)","589-93-5(1)","2280","High Reliability"]
[3588,"Cc1c(C)cncc1\nCc1ccncc1C\n\n","Cc1cnccc1C","n1ccc(c(c1)C)C","",1,"3,4-DIMETHYLPYRIDINE(1)","583-58-4(1)","2240","High Reliability"]
[3589,"Cc1ccnc(C)c1\n\n\n","Cc1ccnc(c1)C","n1ccc(cc1C)C","",1,"2,4-DIMETHYLPYRIDINE(1)","108-47-4(1)","1089","High Reliability"]
[3590,"Cc1cc(C)cnc1\n\n\n","Cc1cncc(c1)C","n1cc(cc(c1)C)C","",1,"3,5-DIMETHYLPYRIDINE(1)","591-22-0(1)","2300","High Reliability"]
[3591,"Cc1c(N)cccc1\nCc1ccccc1N\n\n","Cc1ccccc1N","Nc1ccccc1C","",1,"O-TOLUIDINE(1)","95-53-4(1)","748","High Reliability"]
[3592,"Cc1cccc(C)n1\n\n\n","Cc1cccc(n1)C","n1c(cccc1C)C","",1,"2,6-LUTIDINE(1)","108-48-5(1)","1090","High Reliability"]
[3593,"Cc1c(C)nccc1\nCc1cccnc1C\n\n","Cc1ncccc1C","n1cccc(c1C)C","",1,"2,3-DIMETHYLPYRIDINE(1)","583-61-9(1)","2241","High Reliability"]
[3594,"CNc1ccccc1\n\n\n","CNc1ccccc1","c1ccc(cc1)NC","",1,"N-METHYLANILINE(1)","100-61-8(1)","888","High Reliability"]
[3595,"NCc1ccccc1\n\n\n","NCc1ccccc1","NCc1ccccc1","",1,"BENZYLAMINE(1)","100-46-9(1)","880","High Reliability"]
[3596,"CN(O)N=Nc1ccccc1\n\n\n","CN(N=Nc1ccccc1)O","ON(N=Nc1ccccc1)C","",1,"1-Triazene, 3-hydroxy-3-methyl-1-phenyl-(1)","5756-69-4(1)","3659","High Reliability","Checked on PubChem, Checked on ChemID"]
[3597,"Cc1cc(C)nc(n1)C(N)=O\n\n\n","NC(=O)c1nc(C)cc(n1)C","O=C(N)c1nc(cc(n1)C)C","",1,"2-Pyrimidinecarboxamide, 4,6-dimethyl-(1)","73937-25-4(1)","5187","Medium Reliability"]
[3598,"NNC(=O)Nc1ccccc1\n\n\n","NNC(=O)Nc1ccccc1","O=C(NN)Nc1ccccc1","",1,"HYDRAZINECARBOXAMIDE, N-PHENYL-(1)","537-47-3(1)","2047","High Reliability"]
[3599,"NC(=S)NS(=O)(=O)c1ccc(N)cc1\nNCc1ccc(cc1)S(N)(=O)=O.NC(=S)NS(=O)(=O)c1ccc(N)cc1\n\n","NC(=S)NS(=O)(=O)c1ccc(cc1)N","O=S(=O)(NC(N)=S)c1ccc(N)cc1","",2,"Sulfathiourea(1), SULFATOLAMIDE(1)","515-49-1(1), 1161-88-2(1)","1969, 2855","High Reliability","Organic counterion"]
[3600,"NC(=O)NS(=O)(=O)c1ccc(N)cc1\n\n\n","NC(=O)NS(=O)(=O)c1ccc(cc1)N","O=C(N)NS(=O)(=O)c1ccc(N)cc1","",1,"Sulfanilylurea(1)","547-44-4(1)","2112","Medium Reliability"]
[3601,"CN(C)c1nc2cncnc2[nH]1\nCN(C)c1nc-2c[nH]cnc2n1\n\n","CN(c1nc2c([nH]1)ncnc2)C","n1cnc2[nH]c(nc2(c1))N(C)C","",1,"1H-Purin-8-amine, N,N-dimethyl-(1)","23687-23-2(1)","4348","High Reliability"]
[3602,"Cc1ccc(NO)cc1\n\n\n","ONc1ccc(cc1)C","ONc1ccc(cc1)C","",1,"Benzenamine, N-hydroxy-4-methyl-(1)","623-10-9(1)","2492","High Reliability"]
[3603,"Cc1c[n+]([O-])cc(C)c1\n\n\n","[O-][n+]1cc(C)cc(c1)C","[O-][n+]1cc(cc(c1)C)C","",1,"3,5-DIMETHYLPYRIDINE-N-OXIDE(1)","3718-65-8(1)","3419","High Reliability"]
[3604,"CC1(CCCC1=O)C#N\n\n\n","N#CC1(C)CCCC1=O","N#CC1(C(=O)CCC1)(C)","",1,"Cyclopentanecarbonitrile, 1-methyl-2-oxo-(1)","66984-18-7(1)","5072","Medium Reliability"]
[3605,"Oc1ccc(O)cc1.CNc1ccc(O)cc1.CNc1ccc(O)cc1\n\n\n","CNc1ccc(cc1)O","Oc1ccc(cc1)NC","",1,"Metoquinone(1)","622-91-3(1)","2488","High Reliability","Organic counterion"]
[3606,"COc1ccc(N)cc1\n\n\n","COc1ccc(cc1)N","O(c1ccc(N)cc1)C","",1,"4-METHOXYANILINE(1)","104-94-9(1)","962","High Reliability"]
[3607,"COc1ccccc1N\n\n\n","COc1ccccc1N","O(c1ccccc1(N))C","",1,"2-METHOXYANILINE(1)","90-04-0(1)","647","High Reliability"]
[3608,"Cc1ccc(cc1)S(N)(=O)=O\n\n\n","Cc1ccc(cc1)S(=O)(=O)N","O=S(=O)(N)c1ccc(cc1)C","",1,"4-METHYLBENZENESULFONAMIDE(1)","70-55-3(1)","278","High Reliability"]
[3609,"Cc1cc(ccc1)S(N)(=O)=O\n\n\n","Cc1cccc(c1)S(=O)(=O)N","O=S(=O)(N)c1cccc(c1)C","",1,"M-METHYLBENZENESULFONAMIDE(1)","1899-94-1(1)","3016","Medium Reliability"]
[3610,"Cc1c(cccc1)S(N)(=O)=O\n\n\n","Cc1ccccc1S(=O)(=O)N","O=S(=O)(N)c1ccccc1C","",1,"O-METHYLBENZENESULFONAMIDE(1)","88-19-7(1)","613","High Reliability"]
[3611,"NC(Cc1sccc1)C(O)=O\n\n\n","OC(=O)C(Cc1cccs1)N","O=C(O)C(N)Cc1cccs1","",1,"2-Thiophenepropanoic acid, .alpha.-amino-(1)","139-86-6(1)","1548","High Reliability","Checked on PubChem, Checked on ChemID"]
[3612,"Cc1ccc(cc1N)S(O)(=O)=O\n\n\n","Cc1ccc(cc1N)S(=O)(=O)O","O=S(=O)(O)c1ccc(c(N)c1)C","",1,"Benzenesulfonic acid, 3-amino-4-methyl-(1)","618-03-1(1)","2461","High Reliability"]
[3613,"Cc1ccc(N)c(c1)S(O)(=O)=O\n\n\n","Cc1ccc(c(c1)S(=O)(=O)O)N","O=S(=O)(O)c1cc(ccc1(N))C","",1,"2-Amino-5-methylbenzenesulfonic acid(1)","88-44-8(1)","615","High Reliability"]
[3614,"CNc1ccc(cc1)S(O)(=O)=O\n\n\n","CNc1ccc(cc1)S(=O)(=O)O","O=S(=O)(O)c1ccc(cc1)NC","",1,"Benzenesulfonic acid, 4-(methylamino)-(1)","24447-99-2(1)","4360","High Reliability"]
[3615,"COc1ccc(cc1N)S(O)(=O)=O\n\n\n","COc1ccc(cc1N)S(=O)(=O)O","O=S(=O)(O)c1ccc(OC)c(N)c1","",1,"Benzenesulfonic acid, 3-amino-4-methoxy-(1)","98-42-0(1)","816","High Reliability"]
[3616,"Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl\n\n\n","N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl","N#Cc1c(c(C#N)c(c(c1Cl)Cl)Cl)Cl","",1,"CHLOROTHALONIL(1)","1897-45-6(1)","3014","High Reliability"]
[3617,"CCc1ccccc1\n\n\n","CCc1ccccc1","c1ccc(cc1)CC","",1,"ETHYLBENZENE(1)","100-41-4(1)","876","High Reliability"]
[3618,"Cc1ccc(C)cc1\n\n\n","Cc1ccc(cc1)C","c1cc(ccc1C)C","",1,"P-XYLENE(1)","106-42-3(1)","997","High Reliability"]
[3619,"Cc1cc(C)ccc1\n\n\n","Cc1cccc(c1)C","c1cc(cc(c1)C)C","",1,"M-XYLENE(1)","108-38-3(1)","1081","High Reliability"]
[3620,"Cc1c(C)cccc1\nCc1ccccc1C\n\n","Cc1ccccc1C","c1ccc(c(c1)C)C","",1,"O-XYLENE(1)","95-47-6(1)","743","High Reliability"]
[3621,"CN(Cc1ccccc1)N=O\n\n\n","O=NN(Cc1ccccc1)C","O=NN(C)Cc1ccccc1","",1,"N-BENZYL-N-METHYLNITROSOAMINE(1)","937-40-6(1)","2760","Medium Reliability"]
[3622,"CC(=O)Nc1ccc(N)cc1\n\n\n","CC(=O)Nc1ccc(cc1)N","O=C(Nc1ccc(N)cc1)C","",1,"P-AMINOACETANILIDE(1)","122-80-5(1)","1396","High Reliability"]
[3623,"Cc1ccccc1NC(N)=O\n\n\n","NC(=O)Nc1ccccc1C","O=C(N)Nc1ccccc1C","",1,"Urea, (2-methylphenyl)-(1)","614-77-7(1)","2429","Medium Reliability"]
[3624,"NC(=O)NCc1ccccc1\n\n\n","NC(=O)NCc1ccccc1","O=C(N)NCc1ccccc1","",1,"BENZYLUREA(1)","538-32-9(1)","2051","High Reliability"]
[3625,"COc1ccc(NC(N)=O)cc1\n\n\n","COc1ccc(cc1)NC(=O)N","O=C(N)Nc1ccc(OC)cc1","",1,"Urea, (4-methoxyphenyl)-(1)","1566-42-3(1)","2924","High Reliability"]
[3626,"CCOc1ccc(cc1N)[N+]([O-])=O\n\n\n","CCOc1ccc(cc1N)[N+](=O)[O-]","O=[N+]([O-])c1ccc(OCC)c(N)c1","",1,"Benzenamine, 2-ethoxy-5-nitro-(1)","136-79-8(1)","1530","High Reliability","Checked on PubChem, Checked on ChemID"]
[3627,"OC(=O)C1CCC(=O)N1CCC#N\n\n\n","N#CCCN1C(=O)CCC1C(=O)O","N#CCCN1C(=O)CCC1(C(=O)O)","",1,"L-Proline, 1-(2-cyanoethyl)-5-oxo-(1)","41563-94-4(1)","4752","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3628,"NCCc1cc(c(O)cc1)[N+]([O-])=O\n\n\n","NCCc1ccc(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(ccc1(O))CCN","",1,"Phenol, 4-(2-aminoethyl)-2-nitro-(1)","49607-15-0(1)","4775","Medium Reliability"]
[3629,"CC(=O)NS(=O)(=O)c1ccc(N)cc1\n\n\n","CC(=O)NS(=O)(=O)c1ccc(cc1)N","O=C(NS(=O)(=O)c1ccc(N)cc1)C","",1,"SULFANILACETAMIDE(1)","144-80-9(1)","1603","High Reliability"]
[3630,"CC(=O)Nc1ccc(cc1)S(N)(=O)=O\n\n\n","CC(=O)Nc1ccc(cc1)S(=O)(=O)N","O=C(Nc1ccc(cc1)S(=O)(=O)N)C","",1,"ACETAMIDE, N-[4-(AMINOSULFONYL)PHENYL](1)","121-61-9(1)","1376","Medium Reliability"]
[3631,"CCCc1nc(C(O)=O)c([nH]1)C(O)=O\n\n\n","CCCc1nc(c([nH]1)C(=O)O)C(=O)O","O=C(O)c1nc([nH]c1(C(=O)O))CCC","",1,"1H-Imidazole-4,5-dicarboxylic acid, 2-propyl-(1)","58954-23-7(1)","4967","Medium Reliability"]
[3632,"COC(=O)NS(=O)(=O)c1ccc(N)cc1\n\n\n","COC(=O)NS(=O)(=O)c1ccc(cc1)N","O=C(OC)NS(=O)(=O)c1ccc(N)cc1","",1,"ASULAM(1)","3337-71-1(1)","3370","High Reliability"]
[3633,"Cn1cnc2c1c(=O)n(C)c(=O)n2C\n\n\n","Cn1cnc2c1c(=O)n(C)c(=O)n2C","O=C2c1c(ncn1C)N(C(=O)N2C)C","",1,"CAFFEINE(1)","58-08-2(1)","144","High Reliability"]
[3634,"Cn1c(=O)[nH]c2c1c(=O)n(C)c(=O)n2C\n\n\n","Cn1c(=O)[nH]c2c1c(=O)n(c(=O)n2C)C","O=C2NC1=C(C(=O)N(C(=O)N1C)C)N2C","",1,"1,3,7-TRIMETHYL URIC ACID(1)","5415-44-1(1)","3603","Medium Reliability"]
[3635,"NC(=O)N(CCO)N=Cc1oc(cc1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(o1)C=NN(C(=O)N)CCO","O=C(N)N(N=Cc1oc(cc1)[N+](=O)[O-])CCO","",1,"Nidroxyzone(1)","405-22-1(1)","1773","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3636,"COP(=S)(OC)Oc1ccc(cc1)[N+]([O-])=O\n\n\n","COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC","O=[N+]([O-])c1ccc(OP(OC)(OC)=S)cc1","",1,"PARATHION METHYL(1)","298-00-0(1)","1687","Medium Reliability"]
[3637,"CCc1ccc(O)cc1\n\n\n","CCc1ccc(cc1)O","Oc1ccc(cc1)CC","",1,"P-ETHYLPHENOL(1)","123-07-9(1)","1403","High Reliability"]
[3638,"CCc1c(O)cccc1\nCCOc1ccccc1\n\n","CCc1ccccc1O","Oc1ccccc1CC","",1,"o-ethylphenol(1)","90-00-6(1)","644","High Reliability","Name verified in PubChem"]
[3639,"CCOc1ccccc1\n\n\n","CCOc1ccccc1","O(c1ccccc1)CC","",1,"ETHOXYBENZENE(1)","103-73-1(1)","939","High Reliability"]
[3640,"Cc1cc(O)c(C)cc1\n\n\n","Cc1ccc(c(c1)O)C","Oc1cc(ccc1C)C","",1,"2,5-DIMETHYLPHENOL(1)","95-87-4(1)","759","High Reliability"]
[3641,"Cc1c(C)cc(O)cc1\n\n\n","Oc1ccc(c(c1)C)C","Oc1ccc(c(c1)C)C","",1,"3,4-DIMETHYLPHENOL(1)","95-65-8(1)","754","High Reliability"]
[3642,"Cc1cc(C)c(O)cc1\n\n\n","Cc1ccc(c(c1)C)O","Oc1ccc(cc1C)C","",1,"2,4-DIMETHYLPHENOL(1)","105-67-9(1)","982","High Reliability"]
[3643,"Cc1cc(O)cc(C)c1\n\n\n","Cc1cc(C)cc(c1)O","Oc1cc(cc(c1)C)C","",1,"3,5-DIMETHYLPHENOL(1)","108-68-9(1)","1096","High Reliability"]
[3644,"Cc1cccc(C)c1O\n\n\n","Cc1cccc(c1O)C","Oc1c(cccc1C)C","",1,"2,6-DIMETHYLPHENOL(1)","576-26-1(1)","2212","High Reliability"]
[3645,"Cc1c(C)c(O)ccc1\n\n\n","Cc1c(C)cccc1O","Oc1cccc(c1C)C","",1,"2,3-DIMETHYLPHENOL(1)","526-75-0(1)","1992","High Reliability"]
[3646,"CC(O)c1ccccc1\n\n\n","CC(c1ccccc1)O","OC(c1ccccc1)C","",2,"ALPHA-METHYLBENZYL ALCOHOL(1), 1-PHENYLETHANOL(1)","98-85-1(1), 1517-69-7(1)","827, 2919","High Reliability","Stereochemistry removed"]
[3647,"Cc1ccc(CO)cc1\n\n\n","OCc1ccc(cc1)C","OCc1ccc(cc1)C","",1,"P-METHYL BENZYL ALCOHOL(1)","589-18-4(1)","2269","High Reliability"]
[3648,"Cc1cccc(CO)c1\n\n\n","OCc1cccc(c1)C","OCc1cccc(c1)C","",1,"M-METHYLBENZYL ALCOHOL(1)","587-03-1(1)","2263","High Reliability"]
[3649,"COCc1ccccc1\n\n\n","COCc1ccccc1","O(C)Cc1ccccc1","",1,"BENZYL METHYL ETHER(1)","538-86-3(1)","2054","High Reliability"]
[3650,"OCCc1ccccc1\n\n\n","OCCc1ccccc1","OCCc1ccccc1","",1,"2-PHENYLETHANOL(1)","60-12-8(1)","182","High Reliability"]
[3651,"COc1ccc(CO)cc1\n\n\n","OCc1ccc(cc1)OC","OCc1ccc(OC)cc1","",1,"P-METHOXYBENZYL ALCOHOL(1)","105-13-5(1)","965","High Reliability"]
[3652,"Cc1cc(CO)c(O)cc1\nCc1ccc(O)c(CO)c1\n\n","OCc1cc(C)ccc1O","Oc1ccc(cc1CO)C","",1,"BENZENEMETHANOL, 2-HYDROXY-5-METHYL-(1)","4383-07-7(1)","3486","High Reliability"]
[3653,"OCc1ccc(CO)cc1\n\n\n","OCc1ccc(cc1)CO","OCc1ccc(cc1)CO","",1,"1,4-Benzenedimethanol(1)","589-29-7(1)","2270","High Reliability"]
[3654,"OCc1cc(CO)ccc1\n\n\n","OCc1cccc(c1)CO","OCc1cccc(c1)CO","",1,"1,3-Benzenedimethanol(1)","626-18-6(1)","2526","High Reliability"]
[3655,"OCc1c(CO)cccc1\n\n\n","OCc1ccccc1CO","OCc1ccccc1CO","",1,"1,2-Benzenedimethanol(1)","612-14-6(1)","2418","High Reliability"]
[3656,"OCCOc1ccccc1\n\n\n","OCCOc1ccccc1","OCCOc1ccccc1","",1,"2-PHENOXYETHANOL(1)","122-99-6(1)","1400","High Reliability"]
[3657,"Cc1ccc(cc1)S(C)(=O)=O\n\n\n","Cc1ccc(cc1)S(=O)(=O)C","O=S(=O)(c1ccc(cc1)C)C","",1,"P-METHYLSULFONYLTOLUENE(1)","3185-99-7(1)","3343","High Reliability"]
[3658,"COc1cccc(OC)c1O\n\n\n","COc1cccc(c1O)OC","Oc1c(OC)cccc1(OC)","",1,"2,6-Dimethoxyphenol(1)","91-10-1(1)","662","High Reliability"]
[3659,"CCOS(=O)(=O)c1ccccc1\n\n\n","CCOS(=O)(=O)c1ccccc1","O=S(=O)(OCC)c1ccccc1","",1,"ETHYL BENZENESULFONATE(1)","515-46-8(1)","1968","High Reliability"]
[3660,"COC(=CC(O)=O)C(=O)C(C)=C\n\n\n","COC(=CC(=O)O)C(=O)C(=C)C","O=C(O)C=C(OC)C(=O)C(=C)C","",1,"PENICILLIC ACID(1)","90-65-3(1)","658","Medium Reliability"]
[3661,"OC(=O)C1CCCC=C1C(O)=O\n\n\n","OC(=O)C1=CCCCC1C(=O)O","O=C(O)C1=CCCCC1(C(=O)O)","",1,"2-Cyclohexene-1,2-dicarboxylic acid(1)","38765-78-5(1)","4696","Medium Reliability"]
[3662,"OC(=O)C1C2CCC(O2)C1C(O)=O\n[Na+].[Na+].[O-]C(=O)C1C2CCC(O2)C1C([O-])=O\n\n","OC(=O)C1C2CCC(C1C(=O)O)O2","O=C(O)C2C1OC(CC1)C2(C(=O)O)","",1,"ENDOTHAL(1)","145-73-3(1)","1608","High Reliability","Differences in counterions"]
[3663,"OC(=O)CCC(=O)OOC(=O)CCC(O)=O\nO=C1CCC(=O)OO1\n\n","O=C(OOC(=O)CCC(=O)O)CCC(=O)O","O=C(O)CCC(=O)OOC(=O)CCC(=O)O","",1,"succinylperoxide(1)","123-23-9(1)","1408","High Reliability","Name verified in PubChem"]
[3664,"OC(=O)CC(SC(CC(O)=O)C(O)=O)C(O)=O\n\n\n","OC(=O)C(CC(=O)O)SC(C(=O)O)CC(=O)O","O=C(O)CC(C(=O)O)SC(C(=O)O)CC(=O)O","",1,"Butanedioic acid, 2,2'-thiobis-(1)","4917-76-4(1)","3552","High Reliability"]
[3665,"CC(C)n1c(=O)[nH]c(C)c(Br)c1=O\n\n\n","Cc1[nH]c(=O)n(c(=O)c1Br)C(C)C","O=C1NC(=C(C(=O)N1C(C)C)Br)C","",1,"ISOCIL(1)","314-42-1(1)","1721","High Reliability"]
[3666,"ClC(Cl)C(=O)N(CC=C)CC=C\n\n\n","C=CCN(C(=O)C(Cl)Cl)CC=C","O=C(N(CC=C)CC=C)C(Cl)Cl","",1,"ACETAMIDE, 2,2-DICHLORO-N,N-DI-2-PROPENYL-(1)","37764-25-3(1)","4652","High Reliability"]
[3667,"OCC(O)C1OC2OC(OC2C1O)C(Cl)(Cl)Cl\n\n\n","OCC(C1OC2C(C1O)OC(O2)C(Cl)(Cl)Cl)O","OCC(O)C2OC1OC(OC1C2(O))C(Cl)(Cl)Cl","",1,"CHLORALOSE(1)","15879-93-3(1)","4081","High Reliability","Stereochemistry removed"]
[3668,"CCNc1ccccc1\n\n\n","CCNc1ccccc1","c1ccc(cc1)NCC","",1,"N-ETHYLANILINE(1)","103-69-5(1)","936","High Reliability"]
[3669,"CCc1cnc(C)cc1\n\n\n","CCc1ccc(nc1)C","n1cc(ccc1C)CC","",1,"5-ETHYL-2-METHYLPYRIDINE(1)","104-90-5(1)","961","High Reliability"]
[3670,"CCc1cccc(C)n1\n\n\n","CCc1cccc(n1)C","n1c(cccc1CC)C","",1,"PYRIDINE, 2-ETHYL-6-METHYL-(1)","1122-69-6(1)","2840","High Reliability"]
[3671,"Cc1cc(N)c(C)cc1\n\n\n","Cc1ccc(c(c1)N)C","Nc1cc(ccc1C)C","",1,"2,5-DIMETHYLANILINE(1)","95-78-3(1)","758","High Reliability"]
[3672,"Cc1ccc(N)cc1C\n\n\n","Nc1ccc(c(c1)C)C","Nc1ccc(c(c1)C)C","",1,"3,4-XYLIDINE(1)","95-64-7(1)","753","High Reliability"]
[3673,"Cc1cccc(C)c1N\n\n\n","Cc1cccc(c1N)C","Nc1c(cccc1C)C","",1,"2,6-DIMETHYLANILINE(1)","87-62-7(1)","592","High Reliability"]
[3674,"Cc1nc(C)c(C)cc1\n\n\n","Cc1ccc(c(n1)C)C","n1c(ccc(c1C)C)C","",1,"Pyridine, 2,3,6-trimethyl-(1)","1462-84-6(1)","2909","High Reliability"]
[3675,"Cc1cc(C)nc(C)c1\n\n\n","Cc1cc(C)nc(c1)C","n1c(cc(cc1C)C)C","",1,"2,4,6-COLLIDINE(1)","108-75-8(1)","1099","High Reliability"]
[3676,"Cc1ncc(C)c(C)c1\n\n\n","Cc1ncc(c(c1)C)C","n1cc(c(cc1C)C)C","",1,"2,4,5-TRIMETHYLPYRIDINE(1)","1122-39-0(1)","2838","High Reliability"]
[3677,"CC(N)c1ccccc1\n\n\n","CC(c1ccccc1)N","NC(c1ccccc1)C","",1,"BENZENEMETHANAMINE, .alpha.-METHYL-(1)","98-84-0(1)","826","High Reliability"]
[3678,"CNc1cccc(C)c1\n\n\n","CNc1cccc(c1)C","c1cc(cc(c1)C)NC","",1,"BENZENAMINE, N,3-DIMETHYL-(1)","696-44-6(1)","2643","High Reliability"]
[3679,"CN(C)c1ccccc1\n\n\n","CN(c1ccccc1)C","c1ccc(cc1)N(C)C","",1,"N,N-DIMETHYLANILINE(1)","121-69-7(1)","1377","High Reliability"]
[3680,"CNCc1ccccc1\n\n\n","CNCc1ccccc1","c1ccc(cc1)CNC","",1,"N-METHYLBENZYLAMINE(1)","103-67-3(1)","935","High Reliability"]
[3681,"OC(=O)CN(CCC#N)CCC#N\n\n\n","N#CCCN(CC(=O)O)CCC#N","N#CCCN(CC(=O)O)CCC#N","",1,"Glycine, N,N-bis(2-cyanoethyl)-(1)","6295-23-4(1)","3732","High Reliability"]
[3682,"[Na+].CN(C)c1ccc(cc1)N=NS([O-])(=O)=O\n\n\n","CN(c1ccc(cc1)N=NS(=O)(=O)O)C","O=S(=O)(O)N=Nc1ccc(cc1)N(C)C","",1,"FENAMINOSULF(1)","140-56-7(1)","1556","High Reliability"]
[3683,"Nc1ncc2ncn(COCCO)c2n1\n\n\n","OCCOCn1cnc2c1nc(N)nc2","OCCOCn2cnc1cnc(nc12)N","",1,"ETHANOL, 2-[(2-AMINO-9H-PURIN-9-YL)METHOXY]-(1)","84408-37-7(1)","5299","High Reliability","Checked on PubChem, Checked on ChemID"]
[3684,"Nc1nc2c(ncn2COCCO)c(=O)[nH]1\nNc1nc(=O)c2ncn(COCCO)c2[nH]1\n\n","OCCOCn1cnc2c1nc(N)[nH]c2=O","O=C2NC(=Nc1c2(ncn1COCCO))N","",1,"ACYCLOVIR(1)","59277-89-3(1)","4971","High Reliability"]
[3685,"OCCNc1ccccc1\n\n\n","OCCNc1ccccc1","OCCNc1ccccc1","",1,"2-ANILINOETHANOL(1)","122-98-5(1)","1399","High Reliability"]
[3686,"NCCc1ccc(O)cc1\n\n\n","NCCc1ccc(cc1)O","Oc1ccc(cc1)CCN","",1,"4-(2-AMINOETHYL)PHENOL(1)","51-67-2(1)","52","High Reliability"]
[3687,"OCCNc1ccccc1\nNCC(O)c1ccccc1\n\n","NCC(c1ccccc1)O","OC(c1ccccc1)CN","",1,"phenylethanolamine(1)","7568-93-6(1)","3860","High Reliability","Name verified in PubChem"]
[3688,"Cl.Cc1ncc(CO)c(CO)c1O\n[H+].[Cl-].Cc1ncc(CO)c(CO)c1O\n\n","OCc1c(CO)cnc(c1O)C","Oc1c(ncc(c1CO)CO)C","",1,"PYRIDOXINE HYDROCHLORIDE(1)","58-56-0(1)","154","High Reliability","Differences in counterions"]
[3689,"CN(C)c1cc(ccc1)S(O)(=O)=O\nCN(C)c1cccc(c1)S(O)(=O)=O\n\n","CN(c1cccc(c1)S(=O)(=O)O)C","O=S(=O)(O)c1cccc(c1)N(C)C","",1,"Benzenesulfonic acid, 3-(dimethylamino)-(1)","618-09-7(1)","2462","Medium Reliability"]
[3690,"NS(=O)(=O)c1ccc(SCCO)cc1\n\n\n","OCCSc1ccc(cc1)S(=O)(=O)N","O=S(=O)(N)c1ccc(cc1)SCCO","",1,"BENZENESULFONAMIDE, 4-[(2-HYDROXYETHYL)THIO]-(1)","108966-48-9(1)","5534","Medium Reliability"]
[3691,"Cc1cc(C)c(cc1)P(O)(O)=O\n\n\n","Cc1ccc(c(c1)C)P(=O)(O)O","O=P(O)(O)c1ccc(cc1C)C","",1,"(2,4-dimethylphenyl)phosphonic acid(1)","111192-85-9(1)","5560","Medium Reliability"]
[3692,"C=CC1CCC=CC1\n\n\n","C=CC1CCC=CC1","C=CC1CC=CCC1","",1,"4-VINYLCYCLOHEXENE(1)","100-40-3(1)","875","High Reliability"]
[3693,"ClCC(=O)N(CC=C)CC=C\n\n\n","ClCC(=O)N(CC=C)CC=C","O=C(N(CC=C)CC=C)CCl","",1,"2-CHLORO-N,N-DIALLYLACETAMIDE(1)","93-71-0(1)","708","High Reliability"]
[3694,"O=C(CC#N)N1CCCCC1\n\n\n","N#CCC(=O)N1CCCCC1","N#CCC(=O)N1CCCCC1","",1,"Piperidine, 1-(cyanoacetyl)-(1)","15029-30-8(1)","4049","High Reliability"]
[3695,"Cc1c(O)c(CN)c(CO)cn1\nCl.Cl.Cc1c(O)c(CN)c(CO)cn1\n[H+].[H+].[Cl-].[Cl-].Cc1ncc(CO)c(CN)c1O\n","NCc1c(CO)cnc(c1O)C","Oc1c(ncc(c1CN)CO)C","",1,"PYRIDOXAMINE(1)","524-36-7(1)","1985","High Reliability","Differences in counterions"]
[3696,"CCC1(CC)C(=O)NC(=O)NC1=O\n\n\n","CCC1(CC)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC)CC","",1,"BARBITAL(1)","57-44-3(1)","127","High Reliability"]
[3697,"OC(=O)CCC(NCCC#N)C(O)=O\n\n\n","N#CCCNC(C(=O)O)CCC(=O)O","N#CCCNC(C(=O)O)CCC(=O)O","",1,"Glutamic acid, N-(2-cyanoethyl)-(1)","90243-80-4(1)","5350","Medium Reliability","Stereochemistry removed"]
[3698,"CC(C)(N=NC(C)(C)C#N)C#N\n\n\n","N#CC(N=NC(C#N)(C)C)(C)C","N#CC(N=NC(C#N)(C)C)(C)C","",1,"2,2'-Azobis(2-methylpropionitrile)(1)","78-67-1(1)","441","High Reliability"]
[3699,"NC(=O)c1nn(cn1)C2OC(CO)C(O)C2O\n\n\n","OCC1OC(C(C1O)O)n1cnc(n1)C(=O)N","O=C(N)c1ncn(n1)C2OC(CO)C(O)C2(O)","",1,"RIBAVIRIN(1)","36791-04-5(1)","4639","High Reliability","Stereochemistry removed"]
[3700,"CC1(C)CC(=O)CC(=O)C1\n\n\n","O=C1CC(=O)CC(C1)(C)C","O=C1CC(=O)CC(C)(C)C1","",1,"5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE(1)","126-81-8(1)","1465","High Reliability"]
[3701,"CCOC(=O)C=CC(=O)OCC\n\n\n","CCOC(=O)C=CC(=O)OCC","O=C(OCC)C=CC(=O)OCC","",1,"DIETHYL MALEATE(1)","141-05-9(1)","1562","High Reliability","Stereochemistry removed"]
[3702,"OC(=O)C1CCC(CC1)C(O)=O\n\n\n","OC(=O)C1CCC(CC1)C(=O)O","O=C(O)C1CCC(C(=O)O)CC1","",1,"trans-Cyclohexane-1,4-dicarboxylic acid(1)","619-82-9(1)","2475","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3703,"OC(=O)C1CCCCC1C(O)=O\n\n\n","OC(=O)C1CCCCC1C(=O)O","O=C(O)C1CCCCC1(C(=O)O)","",1,"trans-Cyclohexane-1,2-dicarboxylic acid(1)","2305-32-0(1)","3162","High Reliability","Stereochemistry removed"]
[3704,"CC(CC(C)(C(O)=O)C(O)=O)C(O)=O\n\n\n","CC(C(=O)O)CC(C(=O)O)(C(=O)O)C","O=C(O)C(C)CC(C(=O)O)(C(=O)O)C","",1,"2,2,4-Pentanetricarboxylic acid(1)","69646-36-2(1)","5123","Medium Reliability"]
[3705,"CCOP(=S)(OCC)Oc1cnccn1\n\n\n","CCOP(=S)(Oc1nccnc1)OCC","n1ccnc(OP(OCC)(OCC)=S)c1","",1,"THIONAZIN(1)","297-97-2(1)","1685","High Reliability"]
[3706,"CCC1(CC)C(N)=NC(=O)NC1=O\n\n\n","CCC1(CC)C(=O)NC(=O)N=C1N","O=C1N=C(N)C(C(=O)N1)(CC)CC","",1,"2,4(3H,5H)-Pyrimidinedione, 6-amino-5,5-diethyl-(1)","58042-95-8(1)","4955","High Reliability"]
[3707,"CCC(CC)(C#N)C(O)=NC(O)=N\nCCC(CC)(C#N)C(=O)NC(N)=O\n\n","CCC(C(=NC(=N)O)O)(C#N)CC","N#CC(C(O)=NC(=N)O)(CC)CC","",1,"Butanamide, N-(aminocarbonyl)-2-cyano-2-ethyl-(1)","126245-49-6(1)","5659","Medium Reliability"]
[3708,"COC(=O)C1=CCCN(C)C1\n\n\n","COC(=O)C1=CCCN(C1)C","O=C(OC)C1=CCCN(C)C1","",1,"ARECOLINE(1)","63-75-2(1)","221","High Reliability"]
[3709,"CCCCCCC#C\n\n\n","CCCCCCC#C","C#CCCCCCC","",1,"1-OCTYNE(1)","629-05-0(1)","2563","High Reliability"]
[3710,"CC(C)=CC=C(C)C\n\n\n","CC(=CC=C(C)C)C","C(C=C(C)C)=C(C)C","",1,"2,5-DIMETHYL-2,4-HEXADIENE(1)","764-13-6(1)","2679","High Reliability"]
[3711,"CC(C)C(Br)C(O)=NC(C)C(O)=O\nCC(C)C(Br)C(=O)NC(C)C(O)=O\n\n","CC(C(C(=NC(C(=O)O)C)O)Br)C","O=C(O)C(N=C(O)C(C(C)C)Br)C","",1,"Alanine, N-(2-bromo-3-methylbutyryl)-, DL-(1)","6491-36-7(1)","3761","Medium Reliability","Stereochemistry removed"]
[3712,"CCNc1nc(NC(C)C)nc(Cl)n1\n\n\n","CCNc1nc(NC(C)C)nc(n1)Cl","n1c(nc(nc1NC(C)C)Cl)NCC","",1,"ATRAZINE(1)","1912-24-9(1)","3019","Medium Reliability"]
[3713,"CCN(CC)C(=S)SCC(Cl)=C\n\n\n","CCN(C(=S)SCC(=C)Cl)CC","C=C(CSC(N(CC)CC)=S)Cl","",1,"SULFALLATE(1)","95-06-7(1)","737","High Reliability"]
[3714,"CSCCC(NCCC#N)C(O)=O\n\n\n","CSCCC(C(=O)O)NCCC#N","N#CCCNC(C(=O)O)CCSC","",1,"DL-Methionine, N-(2-cyanoethyl)-(1)","5464-31-3(1)","3619","Medium Reliability","Checked on PubChem"]
[3715,"CNC(=O)ON=CC1(C)SCC(C)S1\n\n\n","CNC(=O)ON=CC1(C)SCC(S1)C","O=C(ON=CC1(C)(SCC(C)S1))NC","",1,"Tirpate(1)","26419-73-8(1)","4419","High Reliability","Stereochemistry removed"]
[3716,"CSc1nnc(c(=O)n1N)C(C)(C)C\n\n\n","CSc1nnc(c(=O)n1N)C(C)(C)C","O=C1C(=NN=C(N1(N))SC)C(C)(C)C","",1,"METRIBUZIN(1)","21087-64-9(1)","4287","High Reliability"]
[3717,"CCCC=C(CC)C=O\n\n\n","CCCC=C(C=O)CC","O=CC(=CCCC)CC","",1,"2-ETHYL-2-HEXENAL(1)","645-62-5(1)","2614","High Reliability","Stereochemistry removed"]
[3718,"CCCCOC(=O)C(C)=C\n\n\n","CCCCOC(=O)C(=C)C","O=C(OCCCC)C(=C)C","",1,"METHACRYLIC ACID, N-BUTYL ESTER(1)","97-88-1(1)","804","Medium Reliability"]
[3719,"CC(C)COC(=O)C(C)=C\n\n\n","CC(COC(=O)C(=C)C)C","O=C(OCC(C)C)C(=C)C","",1,"METHACRYLIC ACID, I-BUTYL ESTER(1)","97-86-9(1)","803","Medium Reliability"]
[3720,"CC(=C)C(=O)OC(C)(C)C\n\n\n","CC(=C)C(=O)OC(C)(C)C","O=C(OC(C)(C)C)C(=C)C","",1,"T-BUTYL METHACRYLATE(1)","585-07-9(1)","2248","High Reliability"]
[3721,"OC(=O)CCC1CCCC1\n\n\n","OC(=O)CCC1CCCC1","O=C(O)CCC1CCCC1","",1,"CYCLOPENTYLPROPRIONIC ACID(1)","140-77-2(1)","1558","Medium Reliability"]
[3722,"OC(=O)CC1CCCCC1\n\n\n","OC(=O)CC1CCCCC1","O=C(O)CC1CCCCC1","",1,"CYCLOHEXYLACETIC ACID(1)","5292-21-7(1)","3580","High Reliability"]
[3723,"CCC(CCC(O)=O)C(C)=O\n\n\n","CCC(C(=O)C)CCC(=O)O","O=C(O)CCC(C(=O)C)CC","",1,"Hexanoic acid, 4-ethyl-5-oxo-(1)","39517-97-0(1)","4715","Medium Reliability"]
[3724,"OC(C1CCCCC1)C(O)=O\n\n\n","OC(C(=O)O)C1CCCCC1","O=C(O)C(O)C1CCCCC1","",1,"Cyclohexaneacetic acid, .alpha.-hydroxy-(1)","4442-94-8(1)","3501","Medium Reliability"]
[3725,"COC(=O)CCCCC(=O)OC\n\n\n","COC(=O)CCCCC(=O)OC","O=C(OC)CCCCC(=O)OC","",1,"HEXANEDIOIC ACID, DIMETHYL ESTER(1)","627-93-0(1)","2550","Medium Reliability"]
[3726,"CCOC(=O)CCCCC(O)=O\nCCOC(=O)CCCCC([O-])=O\n\n","CCOC(=O)CCCCC(=O)O","O=C(O)CCCCC(=O)OCC","",1,"HEXANEDIOIC ACID, MONOETHYL ESTER(1)","626-86-8(1)","2533","High Reliability"]
[3727,"CCCCCC(C(O)=O)C(O)=O\n\n\n","CCCCCC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)CCCCC","",1,"PENTYLMALONIC ACID(1)","616-88-6(1)","2452","Medium Reliability"]
[3728,"CCOC(=O)CCC(=O)OCC\n\n\n","CCOC(=O)CCC(=O)OCC","O=C(OCC)CCC(=O)OCC","",1,"DIETHYL SUCCINATE(1)","123-25-1(1)","1409","High Reliability"]
[3729,"CCC(C(CC)C(O)=O)C(O)=O\n\n\n","CCC(C(C(=O)O)CC)C(=O)O","O=C(O)C(CC)C(C(=O)O)CC","",1,"Butanedioic acid, 2,3-diethyl-, (R*,S*)-(1)","35392-80-4(1)","4612","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3730,"CCC(CC)(CC(O)=O)C(O)=O\n\n\n","CCC(C(=O)O)(CC(=O)O)CC","O=C(O)CC(C(=O)O)(CC)CC","",1,"Butanedioic acid, 2,2-diethyl-(1)","5692-97-7(1)","3654","High Reliability"]
[3731,"CC(CCC(C)C(O)=O)C(O)=O\n\n\n","CC(C(=O)O)CCC(C(=O)O)C","O=C(O)C(C)CCC(C(=O)O)C","",1,"Hexanedioic acid, 2,5-dimethyl-(1)","4454-18-6(1)","3502","High Reliability","Checked on PubChem, Checked on ChemID"]
[3732,"CC1CC(OC(C)=O)OC(C)O1\nCC1CC(O)OC(C)O1.CC(O)=O\n\n","CC1OC(C)OC(C1)OC(=O)C","O=C(OC1OC(OC(C)C1)C)C","",1,"2,6-dimethyl-1,3-dioxan-4-olacetate(1)","828-00-2(1)","2705","High Reliability","Name verified in PubChem"]
[3733,"CC(C)(C(O)=O)C(C)(C)C(O)=O\n\n\n","OC(=O)C(C(C(=O)O)(C)C)(C)C","O=C(O)C(C)(C)C(C(=O)O)(C)C","",1,"Butanedioic acid, tetramethyl-(1)","630-51-3(1)","2573","Medium Reliability"]
[3734,"OC(=O)CCCCCCC(O)=O\n\n\n","OC(=O)CCCCCCC(=O)O","O=C(O)CCCCCCC(=O)O","",1,"SUBERIC ACID(1)","505-48-6(1)","1931","High Reliability"]
[3735,"CC(=O)OCCSCCOC(C)=O\nCC(O)=O.CC(O)=O.OCCSCCO\n\n","CC(=O)OCCSCCOC(=O)C","O=C(OCCSCCOC(=O)C)C","",1,"ethanol,2,2'-thiobis-,diacetate(1)","4275-28-9(1)","3476","High Reliability","Name verified in PubChem"]
[3736,"CCOP(=O)(OCC)Oc1n[nH]c(C)c1\nCCOP(=O)(OCC)Oc1[nH]nc(C)c1\n\n","CCOP(=O)(Oc1n[nH]c(c1)C)OCC","O=P(Oc1n[nH]c(c1)C)(OCC)OCC","",1,"DIETHYL 3-METHYL-5-PYRAZOLYL PHOSPHATE(1)","108-34-9(1)","1078","High Reliability"]
[3737,"CC(C)CNC(=O)N1CCNC1=O\n\n\n","CC(CNC(=O)N1CCNC1=O)C","O=C1NCCN1C(=O)NCC(C)C","",1,"Isocarbamid(1)","30979-48-7(1)","4518","High Reliability"]
[3738,"CCNc1nc(O)nc(NC(C)C)n1\nCCNc1nc(=O)nc(NC(C)C)[nH]1\n\n","CCNc1nc(NC(C)C)nc(n1)O","Oc1nc(nc(n1)NC(C)C)NCC","",1,"4-ETHYLAMINO-6-ISOPROPYLAMINO-S-TRIAZIN-2-OL(1)","2163-68-0(1)","3110","Medium Reliability"]
[3739,"CCNc1nc(OC)nc(NCC)n1\n\n\n","CCNc1nc(NCC)nc(n1)OC","n1c(nc(nc1NCC)NCC)OC","",1,"SIMETONE(1)","673-04-1(1)","2623","High Reliability"]
[3740,"CCNc1nc(SC)nc(NCC)n1\n\n\n","CCNc1nc(NCC)nc(n1)SC","n1c(nc(nc1NCC)SC)NCC","",1,"SIMETRYN(1)","1014-70-6(1)","2798","High Reliability"]
[3741,"CNc1nc(SC)nc(NC(C)C)n1\n\n\n","CNc1nc(NC(C)C)nc(n1)SC","n1c(nc(nc1NC(C)C)SC)NC","",1,"DESMETRYNE(1)","1014-69-3(1)","2797","High Reliability"]
[3742,"CCCCC(=CC)C(O)=N\n\n\n","CCCCC(=CC)C(=N)O","N=C(O)C(=CC)CCCC","",1,"Hexanamide, 2-ethylidene-(1)","98552-24-0(1)","5419","Medium Reliability"]
[3743,"CC(=O)CC1CCCCN1\n\n\n","CC(=O)CC1CCCCN1","O=C(C)CC1NCCCC1","",1,"2-PROPANONE, 1-(2-PIPERIDINYL)-(1)","4396-01-4(1)","3490","High Reliability","Checked on PubChem, Checked on ChemID"]
[3744,"O=C1CCCCCCCN1\n\n\n","O=C1CCCCCCCN1","O=C1NCCCCCCC1","",1,"2-AZACYCLO-NONANONE(1)","935-30-8(1)","2757","Medium Reliability"]
[3745,"NCC1CCC(CC1)C(O)=O\n\n\n","NCC1CCC(CC1)C(=O)O","O=C(O)C1CCC(CN)CC1","",1,"Tranexamic acid(1)","1197-18-8(1)","2869","High Reliability"]
[3746,"CCCCC(NC(C)=O)C(O)=O\n\n\n","CCCCC(C(=O)O)NC(=O)C","O=C(O)C(NC(=O)C)CCCC","",2,"DL-Norleucine, N-acetyl-(1), D-Norleucine, N-acetyl-(1)","7682-16-8(1), 54896-21-8(1)","3870, 4898","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[3747,"CCN(CC)C(=O)CCC(O)=O\n\n\n","CCN(C(=O)CCC(=O)O)CC","O=C(O)CCC(=O)N(CC)CC","",1,"N,N-DIETHYL SUCCINAMIC ACID(1)","1522-00-5(1)","2921","Medium Reliability"]
[3748,"CCC(C)C(N=C(C)O)C(O)=O\nCCC(C)C(NC(C)=O)C(O)=O\nCCC(C)C(NC(C)=O)C(O)=O\n","CCC(C(C(=O)O)N=C(O)C)C","O=C(O)C(N=C(O)C)C(C)CC","",4,"D-Isoleucine, N-acetyl-(1), D-Alloisoleucine, N-acetyl-(1), L-Alloisoleucine, N-acetyl-(1), DL-Alloisoleucine, N-acetyl-(1)","19764-31-9(1), 54831-20-8(1), 20257-17-4(1), 33601-90-0(1)","4238, 4895, 4252, 4567","High Reliability","Checked on PubChem, Stereochemistry removed"]
[3749,"CC(C)CC(NC(C)=O)C(O)=O\n\n\n","CC(CC(C(=O)O)NC(=O)C)C","O=C(O)C(NC(=O)C)CC(C)C","",2,"L-Leucine, N-acetyl-(1), D-Leucine, N-acetyl-(1)","1188-21-2(1), 19764-30-8(1)","2864, 4237","High Reliability","Stereochemistry removed"]
[3750,"CCCC1OCC(C)(CO1)[N+]([O-])=O\n\n\n","CCCC1OCC(CO1)(C)[N+](=O)[O-]","O=[N+]([O-])C1(C)(COC(OC1)CCC)","",1,"m-Dioxane, 5-methyl-5-nitro-2-propyl-(1)","5663-15-0(1)","3651","Medium Reliability"]
[3751,"C1CCCCCCC1\n\n\n","C1CCCCCCC1","C1CCCCCCC1","",1,"CYCLOOCTANE(1)","292-64-8(1)","1684","High Reliability"]
[3752,"CCCC1CCCC1\n\n\n","CCCC1CCCC1","CCCC1CCCC1","",1,"PROPYLCYCLOPENTANE(1)","2040-96-2(1)","3072","High Reliability"]
[3753,"CCC1CCCCC1\n\n\n","CCC1CCCCC1","CCC1CCCCC1","",1,"ETHYLCYCLOHEXANE(1)","1678-91-7(1)","2957","High Reliability"]
[3754,"CCCCCCC=C\n\n\n","CCCCCCC=C","C=CCCCCCC","",1,"1-OCTENE(1)","111-66-0(1)","1225","High Reliability"]
[3755,"CC1CCC(C)CC1\n\n\n","CC1CCC(CC1)C","CC1CCC(C)CC1","",2,"1,4-DIMETHYLCYCLOHEXANE(1), 1,4-DIMETHYLCYCLOHEXANE (TRANS)(1)","589-90-2(1), 2207-04-7(1)","2278, 3126","High Reliability","Checked on PubChem, Checked on ChemID"]
[3756,"CC1CCC(C)(C)C1\n\n\n","CC1CCC(C1)(C)C","CC1CCC(C)(C)C1","",1,"1,1,3-TRIMETHYLCYCLOPENTANE(1)","4516-69-2(1)","3505","High Reliability"]
[3757,"CC1CCCCC1C\n\n\n","CC1CCCCC1C","CC1CCCCC1(C)","",3,"1,2-DIMETHYLCYCLOHEXANE(1), 1,2-DIMETHYLCYCLOHEXANE (CIS)(1), 1,2-DIMETHYLCYCLOHEXANE (TRANS)(1)","583-57-3(1), 2207-01-4(1), 6876-23-9(1)","2239, 3125, 3788","High Reliability","Stereochemistry removed"]
[3758,"CCCC(Br)(CCC)C(O)=N\n\n\n","CCCC(C(=N)O)(CCC)Br","N=C(O)C(CCC)(CCC)Br","",1,"Pentanamide, 2-bromo-2-propyl-(1)","63718-48-9(1)","5025","Medium Reliability"]
[3759,"ClCCS(=O)(=O)CCOCCS(=O)(=O)CCCl\n\n\n","ClCCS(=O)(=O)CCOCCS(=O)(=O)CCCl","O=S(=O)(CCOCCS(=O)(=O)CCCl)CCCl","",1,"Ethane, 1,1'-oxybis[2-[(2-chloroethyl)sulfonyl]-(1)","5143-78-2(1)","3568","Medium Reliability"]
[3760,"CN(C)C(=O)CCC(=O)N(C)C\n\n\n","CN(C(=O)CCC(=O)N(C)C)C","O=C(N(C)C)CCC(=O)N(C)C","",1,"Butanediamide, N,N,N',N'-tetramethyl-(1)","7334-51-2(1)","3830","Medium Reliability"]
[3761,"COP(=O)(OC)OC(C)=CC(=O)N(C)C\n\n\n","COP(=O)(OC(=CC(=O)N(C)C)C)OC","O=C(C=C(OP(=O)(OC)OC)C)N(C)C","",1,"DICROTOPHOS(1)","141-66-2(1)","1568","High Reliability","Stereochemistry removed"]
[3762,"CCCCCCCC=O\n\n\n","CCCCCCCC=O","O=CCCCCCCC","",1,"OCTANAL(1)","124-13-0(1)","1440","High Reliability"]
[3763,"CCCCCCC(C)=O\n\n\n","CCCCCCC(=O)C","O=C(C)CCCCCC","",1,"2-OCTANONE(1)","111-13-7(1)","1204","High Reliability"]
[3764,"CCCCCC(=O)CC\n\n\n","CCCCCC(=O)CC","O=C(CC)CCCCC","",1,"3-OCTANONE(1)","106-68-3(1)","1010","High Reliability"]
[3765,"CCCCC(CC)C=O\n\n\n","CCCCC(C=O)CC","O=CC(CC)CCCC","",1,"2-ETHYLHEXANAL(1)","123-05-7(1)","1402","High Reliability"]
[3766,"CCCCCCCC(O)=O\n\n\n","CCCCCCCC(=O)O","O=C(O)CCCCCCC","",1,"OCTANOIC ACID(1)","124-07-2(1)","1437","High Reliability"]
[3767,"CCCCCCOC(C)=O\n\n\n","CCCCCCOC(=O)C","O=C(OCCCCCC)C","",1,"N-HEXYL ACETATE(1)","142-92-7(1)","1590","High Reliability"]
[3768,"CCCCC(CC)C(O)=O\n\n\n","CCCCC(C(=O)O)CC","O=C(O)C(CC)CCCC","",1,"HEXANOIC ACID, 2-ETHYL-(1)","149-57-5(1)","1621","High Reliability"]
[3769,"CCCCCOC(=O)CC\n\n\n","CCCCCOC(=O)CC","O=C(OCCCCC)CC","",1,"AMYL PROPIONATE(1)","624-54-4(1)","2507","High Reliability"]
[3770,"CCCCCC(=O)OCC\n\n\n","CCCCCC(=O)OCC","O=C(OCC)CCCCC","",1,"ETHYL HEXANOATE(1)","123-66-0(1)","1422","High Reliability"]
[3771,"CCCC(CCC)C(O)=O\n\n\n","CCCC(C(=O)O)CCC","O=C(O)C(CCC)CCC","",1,"VALPROIC ACID(1)","99-66-1(1)","854","High Reliability"]
[3772,"CCCCOC(=O)CCC\n\n\n","CCCCOC(=O)CCC","O=C(OCCCC)CCC","",1,"N-BUTYLBUTYRATE(1)","109-21-7(1)","1125","Medium Reliability"]
[3773,"CC(C)COC(=O)C(C)C\n\n\n","CC(COC(=O)C(C)C)C","O=C(OCC(C)C)C(C)C","",1,"ISOBUTYL ISOBUTYRATE(1)","97-85-8(1)","802","High Reliability"]
[3774,"CC(C)CC(C)OC(C)=O\n\n\n","CC(CC(OC(=O)C)C)C","O=C(OC(C)CC(C)C)C","",1,"4-METHYL-2-PENTYL ACETATE(1)","108-84-9(1)","1104","High Reliability"]
[3775,"CC1(O)CCC(C)(O)CC1\n\n\n","CC1(O)CCC(CC1)(C)O","OC1(C)(CCC(O)(C)CC1)","",1,"1,4-Cyclohexanediol, 1,4-dimethyl-,(1)","90414-69-0(1)","5352","Medium Reliability","Checked on PubChem"]
[3776,"CCCCOCCOC(C)=O\nCCCCOCCO.CC(O)=O\n\n","CCCCOCCOC(=O)C","O=C(OCCOCCCC)C","",1,"2-butoxyethanolacetate(1)","112-07-2(1)","1242","High Reliability","Name verified in PubChem"]
[3777,"CCCCCOC(=O)C(C)O\n\n\n","CCCCCOC(=O)C(O)C","O=C(OCCCCC)C(O)C","",1,"AMYL LACTATE(1)","6382-06-5(1)","3749","Medium Reliability"]
[3778,"CCCCOCCC(=O)OC\n\n\n","CCCCOCCC(=O)OC","O=C(OC)CCOCCCC","",1,"Propanoic acid, 3-butoxy-, methyl ester(1)","4126-55-0(1)","3462","Medium Reliability"]
[3779,"CCCCOC(=O)CCOC\n\n\n","CCCCOC(=O)CCOC","O=C(OCCCC)CCOC","",1,"Propanoic acid, 3-methoxy-, butyl ester(1)","4195-88-4(1)","3469","High Reliability"]
[3780,"CC(C)C(O)C(C)(C)C(O)=O\n\n\n","OC(C(C(=O)O)(C)C)C(C)C","O=C(O)C(C)(C)C(O)C(C)C","",1,"Pentanoic acid, 3-hydroxy-2,2,4-trimethyl-(1)","35763-45-2(1)","4621","Medium Reliability","Checked on PubChem, Checked on ChemID"]
[3781,"CC(C)COC(=O)C(C)(C)O\n\n\n","CC(COC(=O)C(O)(C)C)C","O=C(OCC(C)C)C(O)(C)C","",1,"Lactic acid, 2-methyl-, isobutyl ester(1)","3196-85-8(1)","3347","Medium Reliability"]
[3782,"CCOCCOCCOC(C)=O\n\n\n","CCOCCOCCOC(=O)C","O=C(OCCOCCOCC)C","",1,"CARBITOL ACETATE(1)","112-15-2(1)","1243","High Reliability"]
[3783,"CC1OC(C)OC(C)OC(C)O1\n\n\n","CC1OC(C)OC(OC(O1)C)C","O1C(OC(OC(OC1C)C)C)C","",1,"Metaldehyde (tetramer)(1)","108-62-3(1)","1092","High Reliability"]
[3784,"COC1(C)COC(C)(CO1)OC\n\n\n","COC1(C)OCC(OC1)(C)OC","O(C)C1(OCC(OC)(OC1)C)(C)","",1,"1,4-DIOXANE, 2,5-DIMETHOXY-2,5-DIMETHYL-(1)","7504-90-7(1)","3850","High Reliability"]
[3785,"CCCCCCCCBr\n\n\n","CCCCCCCCBr","CCCCCCCCBr","",1,"1-BROMOOCTANE(1)","111-83-1(1)","1232","High Reliability"]
[3786,"CCCCCCCCCl\n\n\n","CCCCCCCCCl","CCCCCCCCCl","",1,"1-CHLOROOCTANE(1)","111-85-3(1)","1234","High Reliability"]
[3787,"CCCCC(CC)CCl\n\n\n","CCCCC(CCl)CC","CCCCC(CC)CCl","",1,"3-(CHLOROMETHYL)HEPTANE(1)","123-04-6(1)","1401","High Reliability"]
[3788,"CCCC1CCCCN1\n\n\n","CCCC1CCCCN1","N1CCCCC1CCC","",1,"2-PROPYLPIPERIDINE(1)","458-88-8(1)","1800","High Reliability","Stereochemistry removed"]
[3789,"CC(C)CN1CCOCC1\n\n\n","CC(CN1CCOCC1)C","O1CCN(CC1)CC(C)C","",1,"N-ISOBUTYLMORPHOLINE(1)","10315-98-7(1)","3911","High Reliability"]
[3790,"CCCCCN=C(O)C(C)O\nCCCCCNC(=O)C(C)O\n\n","CCCCCN=C(C(O)C)O","OC(=NCCCCC)C(O)C","",1,"Propanamide, 2-hydroxy-N-pentyl-(1)","5323-54-6(1)","3582","High Reliability"]
[3791,"CCOC(=O)C(N)CC(C)C\n\n\n","CCOC(=O)C(CC(C)C)N","O=C(OCC)C(N)CC(C)C","",1,"Leucine, ethyl ester(1)","2743-60-4(1)","3280","High Reliability","Stereochemistry removed"]
[3792,"CCCCCCCC\n\n\n","CCCCCCCC","CCCCCCCC","",1,"OCTANE(1)","111-65-9(1)","1224","High Reliability"]
[3793,"CCCCC(C)CC\n\n\n","CCCCC(CC)C","CCCCC(C)CC","",1,"3-METHYLHEPTANE(1)","589-81-1(1)","2275","High Reliability"]
[3794,"CCCCC(C)(C)C\n\n\n","CCCCC(C)(C)C","CCCCC(C)(C)C","",1,"2,2-DIMETHYLHEXANE(1)","590-73-8(1)","2292","High Reliability"]
[3795,"CC(C)C(C)C(C)C\n\n\n","CC(C(C)C)C(C)C","CC(C)C(C)C(C)C","",1,"2,3,4-TRIMETHYLPENTANE(1)","565-75-3(1)","2196","High Reliability"]
[3796,"CCC(C)C(C)(C)C\n\n\n","CCC(C(C)(C)C)C","CCC(C)C(C)(C)C","",1,"2,2,3-TRIMETHYLPENTANE(1)","564-02-3(1)","2184","High Reliability"]
[3797,"CC(C)CC(C)(C)C\n\n\n","CC(CC(C)(C)C)C","CC(C)CC(C)(C)C","",1,"2,2,4-TRIMETHYLPENTANE(1)","540-84-1(1)","2073","High Reliability"]
[3798,"CCCCN(CCCC)N=O\n\n\n","CCCCN(N=O)CCCC","O=NN(CCCC)CCCC","",1,"N-NITROSODIBUTYLAMINE(1)","924-16-3(1)","2744","High Reliability"]
[3799,"CCC(CC)(CC)NC(O)=N\n\n\n","CCC(NC(=N)O)(CC)CC","N=C(O)NC(CC)(CC)CC","",1,"Urea, (1,1-diethylpropyl)-(1)","67216-85-7(1)","5076","Medium Reliability"]
[3800,"CCCCCCCCO\n\n\n","CCCCCCCCO","OCCCCCCCC","",1,"1-OCTANOL(1)","111-87-5(1)","1236","High Reliability"]
[3801,"CCCCCCC(C)O\n\n\n","CCCCCCC(O)C","OC(C)CCCCCC","",3,"2-OCTANOL(1), dl-2-Octanol(1), 2-Octanol(1)","123-96-6(1), 4128-31-8(1), 6169-06-8(1)","1433, 3463, 3710","High Reliability","Stereochemistry removed"]
[3802,"CCCCC(CC)CO\n\n\n","CCCCC(CO)CC","OCC(CC)CCCC","",1,"2-ETHYL-1-HEXANOL(1)","104-76-7(1)","958","Medium Reliability"]
[3803,"CCCCOCCCC\n\n\n","CCCCOCCCC","O(CCCC)CCCC","",1,"DI-N-BUTYL ETHER(1)","142-96-1(1)","1591","High Reliability"]
[3804,"CCCCC(C)C(C)O\n\n\n","CCCCC(C(O)C)C","OC(C)C(C)CCCC","",1,"3-Methyl-2-heptanol(1)","31367-46-1(1)","4524","High Reliability"]
[3805,"CCCCCC(C)(C)O\n\n\n","CCCCCC(O)(C)C","OC(C)(C)CCCCC","",1,"2-METHYL-2-HEPTANOL(1)","625-25-2(1)","2515","High Reliability"]
[3806,"CCCCC(O)C(C)C\n\n\n","CCCCC(C(C)C)O","OC(CCCC)C(C)C","",1,"3-Heptanol, 2-methyl-(1)","18720-62-2(1)","4206","High Reliability","Checked on PubChem, Checked on ChemID"]
[3807,"CCCC(C)CC(C)O\n\n\n","CCCC(CC(O)C)C","OC(C)CC(C)CCC","",1,"2-Heptanol, 4-methyl-(1)","56298-90-9(1)","4928","High Reliability"]
[3808,"CCCC(O)CC(C)C\n\n\n","CCCC(CC(C)C)O","OC(CCC)CC(C)C","",1,"4-HEPTANOL, 2-METHYL-(1)","21570-35-4(1)","4297","High Reliability","Checked on PubChem, Checked on ChemID"]
[3809,"CCCC(C)C(O)CC\n\n\n","CCCC(C(CC)O)C","OC(CC)C(C)CCC","",1,"3-HEPTANOL, 4-METHYL- (VAN8CI9CI)(1)","14979-39-6(1)","4048","Medium Reliability"]
[3810,"CCCCC(C)(O)CC\n\n\n","CCCCC(CC)(O)C","OC(C)(CC)CCCC","",2,"3-METHYL-3-HEPTANOL(1), 3-Methyl-3-heptanol(1)","598-06-1(1), 5582-82-1(1)","2344, 3633","High Reliability","Checked on PubChem, Checked on ChemID"]
[3811,"CCCC(C)(O)CCC\n\n\n","CCCC(CCC)(O)C","OC(C)(CCC)CCC","",1,"4-HEPTANOL, 4-METHYL-(1)","598-01-6(1)","2343","High Reliability"]
[3812,"CCCC(O)C(C)CC\n\n\n","CCCC(C(CC)C)O","OC(CCC)C(C)CC","",1,"4-Heptanol, 3-methyl-(1)","1838-73-9(1)","2998","High Reliability"]
[3813,"CCC(C)CC(O)CC\n\n\n","CCC(CC(CC)O)C","OC(CC)CC(C)CC","",1,"3-HEPTANOL, 5-METHYL-(1)","18720-65-5(1)","4207","High Reliability","Checked on PubChem, Checked on ChemID"]
[3814,"CCC(O)CCC(C)C\n\n\n","CCC(CCC(C)C)O","OC(CC)CCC(C)C","",1,"Ethylisopentylcarbinol(1)","18720-66-6(1)","4208","High Reliability","Checked on PubChem, Checked on ChemID"]
[3815,"CCC(C)(O)C(C)(C)C\n\n\n","CCC(C(C)(C)C)(O)C","OC(C)(CC)C(C)(C)C","",1,"2,2,3-TRIMETHYL-3-PENTANOL(1)","7294-05-5(1)","3829","High Reliability"]
[3816,"CC(C)CCCCCO\n\n\n","OCCCCCC(C)C","OCCCCCC(C)C","",1,"1-HEPTANOL, 6-METHYL-(1)","1653-40-3(1)","2954","High Reliability"]
[3817,"CCCCCCOCCO\n\n\n","CCCCCCOCCO","OCCOCCCCCC","",1,"ETHANOL, 2-(HEXYLOXY)-(1)","112-25-4(1)","1245","High Reliability"]
[3818,"CCCC(O)C(CC)CO\n\n\n","CCCC(C(CO)CC)O","OCC(CC)C(O)CCC","",1,"2-ETHYL-1,3-HEXANDIOL(1)","94-96-2(1)","736","High Reliability"]
[3819,"CC(C)C(O)C(C)(C)CO\n\n\n","OCC(C(C(C)C)O)(C)C","OCC(C)(C)C(O)C(C)C","",1,"2,2,4-TRIMETHYL-1,3-PENTANEDIOL(1)","144-19-4(1)","1599","High Reliability"]
[3820,"CC(C)(C)OOC(C)(C)C\n\n\n","CC(OOC(C)(C)C)(C)C","O(OC(C)(C)C)C(C)(C)C","",1,"T-BUTYL-PEROXIDE(1)","110-05-4(1)","1160","High Reliability"]
[3821,"CC(C)(C)S(=O)(=O)C(C)(C)C\n\n\n","CC(S(=O)(=O)C(C)(C)C)(C)C","O=S(=O)(C(C)(C)C)C(C)(C)C","",1,"DI-TERT-BUTYLSULFONE(1)","1886-75-5(1)","3012","Medium Reliability"]
[3822,"CCCCOCCOCCO\n\n\n","CCCCOCCOCCO","OCCOCCOCCCC","",1,"DIETHYLENE GLYCOL MONO-N-BUTYL ETHER(1)","112-34-5(1)","1249","High Reliability"]
[3823,"CCOC(CC(C)O)OCC\n\n\n","CCOC(CC(O)C)OCC","OC(C)CC(OCC)OCC","",1,"2-Butanol, 4,4-diethoxy-(1)","77533-80-3(1)","5242","Medium Reliability"]
[3824,"CC(C)CCOCC(O)CO\n\n\n","OCC(COCCC(C)C)O","OCC(O)COCCC(C)C","",1,"3-isopentyloxy-propane-1,2-diol(1)","627-92-9(1)","2549","High Reliability"]
[3825,"CC(O)CCOCCC(C)O\n\n\n","CC(CCOCCC(O)C)O","OC(C)CCOCCC(O)C","",1,"4,4'-Oxydi-2-butanol(1)","821-33-0(1)","2699","High Reliability"]
[3826,"CCOCCOCCOCCO\nCCOC(O)COCCOCCO\n\n","OCCOCCOCCOCC","OCCOCCOCCOCC","",1,"ethoxytriethyleneglycol(1)","112-50-5(1)","1257","High Reliability","Name verified in PubChem"]
[3827,"CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC\n\n\n","CCC(S(=O)(=O)CC)(S(=O)(=O)CC)C","O=S(=O)(CC)C(C)(CC)S(=O)(=O)CC","",1,"TRIONAL(1)","76-20-0(1)","392","High Reliability"]
[3828,"OCCOCCOCCOCCO\n\n\n","OCCOCCOCCOCCO","OCCOCCOCCOCCO","",1,"TETRAETHYLENE GLYCOL(1)","112-60-7(1)","1261","High Reliability"]
[3829,"CCCCSS(=O)CCCC\n\n\n","CCCCSS(=O)CCCC","O=S(CCCC)SCCCC","",1,"Butane-1-thiosulfinic acid S-butyl ester(1)","7559-55-9(1)","3859","Medium Reliability","Checked on PubChem"]
[3830,"CCCCCCCCN\n\n\n","CCCCCCCCN","NCCCCCCCC","",1,"N-OCTYLAMINE(1)","111-86-4(1)","1235","High Reliability"]
[3831,"CCCCC(CC)CN\n\n\n","CCCCC(CN)CC","NCC(CC)CCCC","",1,"2-ETHYLHEXYLAMINE(1)","104-75-6(1)","957","High Reliability"]
[3832,"CCCCNCCCC\n\n\n","CCCCNCCCC","N(CCCC)CCCC","",1,"DIBUTYLAMINE(1)","111-92-2(1)","1239","High Reliability"]
[3833,"CC(C)N(CCO)C(C)C\n\n\n","OCCN(C(C)C)C(C)C","OCCN(C(C)C)C(C)C","",1,"2-(BIS(1-METHYLETHYL)AMINO)ETHANOL(1)","96-80-0(1)","783","High Reliability"]
[3834,"CCC(O)CNCC(O)CC\n\n\n","CCC(CNCC(CC)O)O","OC(CNCC(O)CC)CC","",1,"Di-sec-butanolamine(1)","21838-75-5(1)","4304","High Reliability","Checked on PubChem, Checked on ChemID"]
[3835,"CCCSP(=O)(OCC)SCCC\n\n\n","CCCSP(=O)(SCCC)OCC","O=P(OCC)(SCCC)SCCC","",1,"O-ETHYL S,S-DIPROPYL PHOSPHORODITHIOATE(1)","13194-48-4(1)","3962","High Reliability"]
[3836,"CCOP(=S)(OCC)SCCSCC\n\n\n","CCSCCSP(=S)(OCC)OCC","O(CC)P(OCC)(=S)SCCSCC","",1,"DISULFOTON(1)","298-04-4(1)","1691","High Reliability"]
[3837,"CCOP(=O)(OCC)SCCSCC\nCCOP(=O)(OCC)SCCSCC.CCOP(=S)(OCC)OCCSCC\n\n","CCSCCSP(=O)(OCC)OCC","O=P(OCC)(OCC)SCCSCC","",2,"Demeton-S(1), DEMETON(1)","126-75-0(1), 8000-97-3(1)","1464, 3888","High Reliability","Organic counterion, Checked on PubChem, Checked on ChemID"]
[3838,"CCOP(=S)(OCC)OCCSCC\n\n\n","CCSCCOP(=S)(OCC)OCC","O(CC)P(OCC)(OCCSCC)=S","",1,"Demeton-O(1)","298-03-3(1)","1690","High Reliability"]
[3839,"CCOP(=S)(OCC)SCCS(=O)CC\n\n\n","CCOP(=S)(OCC)SCCS(=O)CC","O=S(CC)CCSP(OCC)(OCC)=S","",1,"DISULFOTON SULFOXIDE(1)","2497-07-6(1)","3223","High Reliability"]
[3840,"CCCCOP(O)(=O)OCCCC\n\n\n","CCCCOP(=O)(OCCCC)O","O=P(O)(OCCCC)OCCCC","",1,"DI-N-BUTYL PHOSPHATE(1)","107-66-4(1)","1050","Medium Reliability"]
[3841,"CCCOP(=O)(OCC)OCCC\n\n\n","CCCOP(=O)(OCCC)OCC","O=P(OCC)(OCCC)OCCC","",1,"Phosphoric acid, ethyl dipropyl ester(1)","55312-81-7(1)","4909","Medium Reliability"]
[3842,"CCCCOP(=O)(OCC)OCC\n\n\n","CCCCOP(=O)(OCC)OCC","O=P(OCC)(OCC)OCCCC","",1,"Phosphoric acid, butyl diethyl ester(1)","2737-00-0(1)","3279","High Reliability"]
[3843,"CCOP(=O)(OCC)OCC(C)C\n\n\n","CCOP(=O)(OCC(C)C)OCC","O=P(OCC)(OCC)OCC(C)C","",1,"Phosphoric acid, diethyl 2-methylpropyl ester(1)","26628-97-7(1)","4424","Medium Reliability"]
[3844,"CCOP(=S)(OCC)SCCS(=O)(=O)CC\n\n\n","CCOP(=S)(SCCS(=O)(=O)CC)OCC","O=S(=O)(CC)CCSP(OCC)(OCC)=S","",1,"DISULFOTON SULFONE(1)","2497-06-5(1)","3222","High Reliability"]
[3845,"CCOP(=S)(OCC)OP(=S)(OCC)OCC\n\n\n","CCOP(=S)(OP(=S)(OCC)OCC)OCC","O(CC)P(OCC)(OP(OCC)(OCC)=S)=S","",1,"SULFOTEPP(1)","3689-24-5(1)","3413","High Reliability"]
[3846,"CCOP(=O)(OCC)OP(=O)(OCC)OCC\n\n\n","CCOP(=O)(OP(=O)(OCC)OCC)OCC","O=P(OCC)(OCC)OP(=O)(OCC)OCC","",1,"TETRAETHYL PYROPHOSPHATE(1)","107-49-3(1)","1048","High Reliability"]
[3847,"NCCNCCNCCNCCN\n\n\n","NCCNCCNCCNCCN","NCCNCCNCCNCCN","",1,"TETRAETHYLENEPENTAMINE(1)","112-57-2(1)","1259","High Reliability"]
[3848,"CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C\n\n\n","CN(P(=O)(N(C)C)OP(=O)(N(C)C)N(C)C)C","O=P(OP(=O)(N(C)C)N(C)C)(N(C)C)N(C)C","",1,"OCTAMETHYLPYROPHOSPHORAMIDE(1)","152-16-9(1)","1633","High Reliability"]
[3849,"Clc1c(Cl)c2c(nccn2)c(Cl)c1Cl\n\n\n","Clc1c(Cl)c(Cl)c(c2c1nccn2)Cl","n1ccnc2c1c(c(c(c2Cl)Cl)Cl)Cl","",1,"QUINOXALINE, 5,6,7,8-TETRACHLORO-(1)","3495-42-9(1)","3389","High Reliability"]
[3850,"Clc1c(Cl)c(Cl)c(Cl)c2c1COC2=O\nClc1ccc2C(=O)OC(Cl)(Cl)c2c1Cl\nClc1c(Cl)c(Cl)c2C(=O)OCc2c1Cl\n","O=C1OCc2c1c(Cl)c(Cl)c(c2Cl)Cl","O=C1OCc2c1c(c(c(c2Cl)Cl)Cl)Cl","",1,"tetrachlorophthalide(1)","27355-22-2(1)","4446","High Reliability","Name verified in PubChem"]
[3851,"OC(=O)c1c(C(O)=O)c(Cl)c(Cl)c(Cl)c1Cl\nOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(O)=O\n\n","OC(=O)c1c(C(=O)O)c(Cl)c(c(c1Cl)Cl)Cl","O=C(O)c1c(C(=O)O)c(c(c(c1Cl)Cl)Cl)Cl","",1,"TETRACHLOROPHTHALIC ACID(1)","632-58-6(1)","2582","High Reliability"]
[3852,"FC(F)(F)c1nc2c([nH]1)ccc(Cl)c2Cl\nFC(F)(F)c1[nH]c2ccc(Cl)c(Cl)c2n1\n\n","Clc1ccc2c(c1Cl)nc([nH]2)C(F)(F)F","FC(F)(F)c2nc1c(ccc(c1Cl)Cl)[nH]2","",1,"2-CF3-4,5-DICHLOROBENZIMIDAZOLE(1)","3615-21-2(1)","3403","Medium Reliability"]
[3853,"N#Cc1ccccc1C#N\n\n\n","N#Cc1ccccc1C#N","N#Cc1ccccc1(C#N)","",1,"1,2-DICYANOBENZENE(1)","91-15-6(1)","663","High Reliability"]
[3854,"[O-][N+](=O)c1cc2c([nH]c(=O)[nH]c2=O)c(c1)[N+]([O-])=O\n\n\n","O=c1[nH]c(=O)c2c([nH]1)c(cc(c2)[N+](=O)[O-])[N+](=O)[O-]","O=C1NC(=O)c2cc(cc(c2(N1))[N+](=O)[O-])[N+](=O)[O-]","",1,"2,4(1H,3H)-Quinazolinedione, 6,8-dinitro-(1)","606-33-7(1)","2384","High Reliability"]
[3855,"O=C1OC(=O)c2c1cccc2\nO=C1OC(=O)c2ccccc12\n\n","O=C1OC(=O)c2c1cccc2","O=C1OC(=O)c2ccccc12","",1,"PHTHALIC ANHYDRIDE(1)","85-44-9(1)","557","High Reliability"]
[3856,"Brc1cc2c(COC2=O)cc1\nBrc1ccc2COC(=O)c2c1\n\n","Brc1ccc2c(c1)C(=O)OC2","O=C1OCc2ccc(cc12)Br","",1,"1(3H)-Isobenzofuranone, 6-bromo-(1)","19477-73-7(1)","4228","High Reliability"]
[3857,"OC(=O)c1cc(Br)c(cc1)C(O)=O\nOC(=O)c1ccc(C(O)=O)c(Br)c1\n\n","OC(=O)c1ccc(c(c1)Br)C(=O)O","O=C(O)c1ccc(C(=O)O)c(c1)Br","",1,"1,4-Benzenedicarboxylic acid, 2-bromo-(1)","586-35-6(1)","2257","High Reliability"]
[3858,"OC(=O)Cc1c(Cl)ccc(Cl)c1Cl\n[Na+].[O-]C(=O)Cc1c(Cl)ccc(Cl)c1Cl\n\n","OC(=O)Cc1c(Cl)ccc(c1Cl)Cl","O=C(O)Cc1c(ccc(c1Cl)Cl)Cl","",1,"FENAC(1)","85-34-7(1)","554","High Reliability","Differences in counterions"]
[3859,"OC(=O)COc1c(Cl)ccc(Cl)c1Cl\n\n\n","OC(=O)COc1c(Cl)ccc(c1Cl)Cl","O=C(O)COc1c(ccc(c1Cl)Cl)Cl","",1,"2,3,6-Trichlorophenoxyacetic acid(1)","4007-00-5(1)","3453","High Reliability"]
[3860,"OC(=O)COc1c(Cl)cc(Cl)cc1Cl\n\n\n","OC(=O)COc1c(Cl)cc(cc1Cl)Cl","O=C(O)COc1c(cc(cc1Cl)Cl)Cl","",1,"2,4,6-TRICHLOROPHENOXYACETIC ACID(1)","575-89-3(1)","2210","High Reliability"]
[3861,"OC(=O)COc1c(Cl)cc(Cl)c(Cl)c1\nOC(=O)COc1cc(Cl)c(Cl)cc1Cl\n\n","OC(=O)COc1cc(Cl)c(cc1Cl)Cl","O=C(O)COc1cc(c(cc1Cl)Cl)Cl","",1,"2,4,5-TRICHLOROPHENOXYACETIC ACID(1)","93-76-5(1)","710","High Reliability"]
[3862,"Clc1cc2c(COC2=O)cc1\nClc1ccc2COC(=O)c2c1\n\n","Clc1ccc2c(c1)C(=O)OC2","O=C1OCc2ccc(cc12)Cl","",1,"1(3H)-Isobenzofuranone, 6-chloro-(1)","19641-29-3(1)","4233","Medium Reliability"]
[3863,"OC(=O)c1cccc(Cl)c1C(O)=O\n\n\n","OC(=O)c1c(Cl)cccc1C(=O)O","O=C(O)c1cccc(c1(C(=O)O))Cl","",1,"1,2-BENZENEDICARBOXYLIC ACID, 3-CHLORO-(1)","27563-65-1(1)","4450","High Reliability","Checked on PubChem, Checked on ChemID"]
[3864,"OC(=O)c1cc(cc(Cl)c1)C(O)=O\n\n\n","Clc1cc(cc(c1)C(=O)O)C(=O)O","O=C(O)c1cc(cc(c1)Cl)C(=O)O","",1,"1,3-Benzenedicarboxylic acid, 5-chloro-(1)","2157-39-3(1)","3108","High Reliability"]
[3865,"OC(=O)c1ccccc1C(F)(F)F\n\n\n","OC(=O)c1ccccc1C(F)(F)F","O=C(O)c1ccccc1C(F)(F)F","",1,"Benzoic acid, 2-(trifluoromethyl)-(1)","433-97-6(1)","1778","High Reliability","Checked on PubChem, Checked on ChemID"]
[3866,"Ic1cc2c(COC2=O)cc1\nIc1ccc2COC(=O)c2c1\n\n","Ic1ccc2c(c1)C(=O)OC2","O=C1OCc2ccc(cc12)I","",1,"1(3H)-Isobenzofuranone, 6-iodo-(1)","53910-10-4(1)","4880","Medium Reliability"]
[3867,"O=C1NC(=O)c2c1cccc2\nO=C1NC(=O)c2ccccc12\n\n","O=C1NC(=O)c2c1cccc2","O=C1NC(=O)c2ccccc12","",1,"PHTHALIMIDE(1)","85-41-6(1)","556","High Reliability"]
[3868,"OC(=O)c1ccc(cc1)C#N\n\n\n","N#Cc1ccc(cc1)C(=O)O","N#Cc1ccc(cc1)C(=O)O","",1,"P-CYANOBENZOIC ACID(1)","619-65-8(1)","2473","Medium Reliability"]
[3869,"[O-][N+](=O)c1ccc2COC(=O)c2c1\n\n\n","[O-][N+](=O)c1ccc2c(c1)C(=O)OC2","O=C1OCc2ccc(cc12)[N+](=O)[O-]","",1,"1(3H)-ISOBENZOFURANONE, 6-NITRO-(1)","610-93-5(1)","2411","High Reliability","Checked on PubChem, Checked on ChemID"]
[3870,"OC(=O)c1cc(C(O)=O)c(cc1)[N+]([O-])=O\nOC(=O)c1ccc(c(c1)C(O)=O)[N+]([O-])=O\n\n","OC(=O)c1cc(ccc1[N+](=O)[O-])C(=O)O","O=C(O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-]","",1,"1,3-Benzenedicarboxylic acid, 4-nitro-(1)","4315-09-7(1)","3479","Medium Reliability"]
[3871,"OC(=O)c1cccc(C(O)=O)c1[N+]([O-])=O\n\n\n","[O-][N+](=O)c1c(cccc1C(=O)O)C(=O)O","O=C(O)c1cccc(C(=O)O)c1[N+](=O)[O-]","",1,"1,3-Benzenedicarboxylic acid, 2-nitro-(1)","21161-11-5(1)","4290","High Reliability"]
[3872,"OC(=O)c1c(C(O)=O)c(ccc1)[N+]([O-])=O\nOC(=O)c1cccc(c1C(O)=O)[N+]([O-])=O\n\n","OC(=O)c1cccc(c1C(=O)O)[N+](=O)[O-]","O=C(O)c1cccc(c1(C(=O)O))[N+](=O)[O-]","",1,"3-NITROPHTHALIC ACID(1)","603-11-2(1)","2374","High Reliability"]
[3873,"C#Cc1ccccc1\n\n\n","C#Cc1ccccc1","C#Cc1ccccc1","",1,"ETHYNYL BENZENE(1)","536-74-3(1)","2041","High Reliability"]
[3874,"COc1c(Cl)ccc(Cl)c1C(O)=O\n\n\n","COc1c(Cl)ccc(c1C(=O)O)Cl","O=C(O)c1c(OC)c(ccc1Cl)Cl","",1,"DICAMBA(1)","1918-00-9(1)","3024","High Reliability"]
[3875,"OC(=O)COc1c(Cl)cc(Cl)cc1\n\n\n","OC(=O)COc1ccc(cc1Cl)Cl","O=C(O)COc1ccc(cc1Cl)Cl","",1,"2,4-DICHLOROPHENOXYACETIC ACID(1)","94-75-7(1)","730","High Reliability"]
[3876,"OC(=O)COc1cc(Cl)cc(Cl)c1\n\n\n","OC(=O)COc1cc(Cl)cc(c1)Cl","O=C(O)COc1cc(cc(c1)Cl)Cl","",1,"3,5-DICHLOROPHENOXYACETIC ACID(1)","587-64-4(1)","2265","High Reliability"]
[3877,"OC(=O)COc1c(Cl)c(Cl)ccc1\n\n\n","OC(=O)COc1cccc(c1Cl)Cl","O=C(O)COc1cccc(c1Cl)Cl","",1,"2,3-DICHLOROPHENOXYACETIC ACID(1)","2976-74-1(1)","3307","High Reliability"]
[3878,"OC(=O)COc1cc(Cl)c(Cl)cc1\n\n\n","OC(=O)COc1ccc(c(c1)Cl)Cl","O=C(O)COc1ccc(c(c1)Cl)Cl","",1,"3,4-DICHLOROPHENOXYACETIC ACID(1)","588-22-7(1)","2266","High Reliability"]
[3879,"COc1c(OC)c(Cl)c(Cl)c(Cl)c1Cl\nCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1OC\n\n","COc1c(OC)c(Cl)c(c(c1Cl)Cl)Cl","O(c1c(OC)c(c(c(c1Cl)Cl)Cl)Cl)C","",1,"Benzene, 1,2,3,4-tetrachloro-5,6-dimethoxy-(1)","944-61-6(1)","2767","High Reliability"]
[3880,"NS(=O)(=O)c1cc2c(NC=NS2(=O)=O)cc1C(F)(F)F\n\n\n","FC(c1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N)(F)F","O=S2(=O)(N=CNc1cc(c(cc12)S(=O)(=O)N)C(F)(F)F)","",1,"FLUMETHAZIDE(1)","148-56-1(1)","1615","Medium Reliability"]
[3881,"c1ccc2cnncc2c1\n\n\n","c1ccc2c(c1)cnnc2","n1ncc2ccccc2(c1)","",1,"PHTHALAZINE(1)","253-52-1(1)","1670","Medium Reliability"]
[3882,"c1cc2c(cc1)nccn2\nc1ccc2nccnc2c1\n\n","c1ccc2c(c1)nccn2","n1ccnc2ccccc12","",1,"QUINOXALINE(1)","91-19-0(1)","666","High Reliability"]
[3883,"Oc1cccc2c1nncc2\nOc1cccc2ccnnc12\n\n","Oc1cccc2c1nncc2","Oc1cccc2ccnnc12","",1,"8-cinnolinol(1)","17056-95-0(1)","4130","Medium Reliability"]
[3884,"Oc1cccc2cncnc12\n\n\n","Oc1cccc2c1ncnc2","Oc1cccc2cncnc12","",1,"8-Quinazolinol(1)","7557-02-0(1)","3857","Medium Reliability"]
[3885,"O=c1cccc-2[nH]ccnc12\nOc1cccc2nccnc12\n\n","O=c1cccc2c1ncc[nH]2","O=C1C=CC=C2NC=CN=C12","",1,"5-Quinoxalinol(1)","17056-99-4(1)","4132","Medium Reliability","Checked on PubChem"]
[3886,"Oc1c2ncccc2cnc1\nOc1cncc2cccnc12\n\n","Oc1cncc2c1nccc2","Oc1cncc2cccnc12","",1,"1,6-Naphthyridin-8-ol(1)","17057-00-0(1)","4133","Medium Reliability"]
[3887,"O=c1[nH]ccc2c1nccc2\nO=c1[nH]ccc2cccnc12\n\n","O=c1[nH]ccc2c1nccc2","O=C1NC=Cc2cccnc12","",1,"1,7-Naphthyridin-8(7H)-one(1)","67967-11-7(1)","5094","Medium Reliability"]
[3888,"OC(=O)COc1c(cc(cc1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","OC(=O)COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]","O=C(O)COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]","",1,"Acetic acid, (2,4-dinitrophenoxy)-(1)","25141-25-7(1)","4377","High Reliability"]
[3889,"CSC(=O)c1cccc2c1snn2\nCSC(=O)c1cccc2nnsc12\n\n","CSC(=O)c1cccc2c1snn2","O=C(c2cccc1nnsc12)SC","",1,"CGA 245704(1)","135158-54-2(1)","5683","High Reliability"]
[3890,"[O-][N+](=O)c1ccc(o1)C=NN2CC(=O)NC2=O\n\n\n","O=C1NC(=O)N(C1)N=Cc1ccc(o1)[N+](=O)[O-]","O=C2NC(=O)CN2(N=Cc1oc(cc1)[N+](=O)[O-])","",1,"NITROFURANTOIN(1)","67-20-9(1)","248","High Reliability","Stereochemistry removed"]
[3891,"NC(=O)NC1NC(=O)NC1=O\nOC1(C(=O)NC(=O)NC1=O)C2(O)C(=O)NC(=O)NC2=O\n\n","O=C1NC(=O)NC(=O)C1(O)C1(O)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(O)(C(=O)N1)C2(O)(C(=O)NC(=O)NC2(=O))","",1,"alloxantin(1)","76-24-4(1)","394","High Reliability","Name verified in PubChem"]
[3892,"OC(=O)CNc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","OC(=O)CNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","O=C(O)CNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","",1,"Glycine, N-(2,4,6-trinitrophenyl)-(1)","1032-44-6(1)","2804","Medium Reliability"]
[3893,"O=Cc1ccc(C=O)cc1\n\n\n","O=Cc1ccc(cc1)C=O","O=Cc1ccc(C=O)cc1","",1,"1,4-Benzenedicarboxaldehyde(1)","623-27-8(1)","2494","High Reliability"]
[3894,"O=Cc1ccc2OCOc2c1\n\n\n","O=Cc1ccc2c(c1)OCO2","O=Cc1ccc2OCOc2(c1)","",1,"PIPERONAL(1)","120-57-0(1)","1358","High Reliability"]
[3895,"OC(=O)C(=O)c1ccccc1\n\n\n","O=C(c1ccccc1)C(=O)O","O=C(O)C(=O)c1ccccc1","",1,"BENZOYLFORMIC ACID(1)","611-73-4(1)","2417","High Reliability"]
[3896,"OC(=O)c1c(O)ccc(C=O)c1\nOC(=O)c1cc(C=O)ccc1O\n\n","O=Cc1ccc(c(c1)C(=O)O)O","O=Cc1ccc(O)c(c1)C(=O)O","",1,"Benzoic acid, 5-formyl-2-hydroxy-(1)","616-76-2(1)","2450","High Reliability"]
[3897,"OC(=O)c1cccc(C=O)c1O\n\n\n","O=Cc1cccc(c1O)C(=O)O","O=Cc1cccc(C(=O)O)c1(O)","",1,"Benzoic acid, 3-formyl-2-hydroxy-(1)","610-04-8(1)","2406","High Reliability"]
[3898,"OC(=O)c1ccc(cc1)C(O)=O\n\n\n","OC(=O)c1ccc(cc1)C(=O)O","O=C(O)c1ccc(cc1)C(=O)O","",1,"TEREPHTHALIC ACID(1)","100-21-0(1)","871","High Reliability"]
[3899,"OC(=O)c1cc(ccc1)C(O)=O\n\n\n","OC(=O)c1cccc(c1)C(=O)O","O=C(O)c1cccc(c1)C(=O)O","",1,"ISOPHTHALIC ACID(1)","121-91-5(1)","1382","High Reliability"]
[3900,"OC(=O)c1ccccc1C(O)=O\n[K+].OC(=O)c1c(cccc1)C([O-])=O\n[K+].OC(=O)c1ccccc1C([O-])=O\n","OC(=O)c1ccccc1C(=O)O","O=C(O)c1ccccc1(C(=O)O)","",2,"O-PHTHALIC ACID(1), Potassium Biphthalate(1)","88-99-3(1), 877-24-7(1)","626, 2728","High Reliability"]
[3901,"OC(=O)c1ccc(O)c(c1)C(O)=O\n\n\n","OC(=O)c1ccc(c(c1)C(=O)O)O","O=C(O)c1ccc(O)c(c1)C(=O)O","",1,"4-Hydroxyisophthalic acid(1)","636-46-4(1)","2593","High Reliability","Checked on PubChem, Checked on ChemID"]
[3902,"OC(=O)c1cc(cc(O)c1)C(O)=O\n\n\n","Oc1cc(cc(c1)C(=O)O)C(=O)O","O=C(O)c1cc(O)cc(c1)C(=O)O","",1,"5-Hydroxyisophthalic acid(1)","618-83-7(1)","2467","High Reliability"]
[3903,"OC(=O)c1cc(C(O)=O)c(cc1)S(O)(=O)=O\nOC(=O)c1ccc(c(c1)C(O)=O)S(O)(=O)=O\n\n","OC(=O)c1cc(ccc1S(=O)(=O)O)C(=O)O","O=C(O)c1ccc(c(c1)C(=O)O)S(=O)(=O)O","",1,"1,3-Benzenedicarboxylic acid, 4-sulfo-(1)","51084-31-2(1)","4799","Medium Reliability"]
[3904,"s1ccc2c1cccc2\ns1ccc2ccccc12\n\n","c1ccc2c(c1)scc2","c1ccc2c(c1)ccs2","",1,"BENZO(B)THIOPHENE(1)","95-15-8(1)","740","High Reliability"]
[3905,"ClC(Cl)C(=O)Nc1ccccc1\n\n\n","ClC(C(=O)Nc1ccccc1)Cl","O=C(Nc1ccccc1)C(Cl)Cl","",1,"Acetamide, 2,2-dichloro-N-phenyl-(1)","2563-99-7(1)","3237","Medium Reliability"]
[3906,"COC(=O)c1cc(Cl)cc(N)c1Cl\n\n\n","COC(=O)c1cc(Cl)cc(c1Cl)N","O=C(OC)c1cc(cc(N)c1Cl)Cl","",1,"CHLORAMBEN, METHYL ESTER(1)","7286-84-2(1)","3824","High Reliability"]
[3907,"COc1cc(Cl)c(Cl)c(Cl)c1OC\n\n\n","COc1cc(Cl)c(c(c1OC)Cl)Cl","O(c1cc(c(c(c1(OC))Cl)Cl)Cl)C","",1,"3,4,5-Trichloroveratrole(1)","16766-29-3(1)","4115","High Reliability"]
[3908,"COc1c(O)c(Cl)cc(C=O)c1\nCOc1cc(C=O)cc(Cl)c1O\n\n","COc1cc(C=O)cc(c1O)Cl","O=Cc1cc(OC)c(O)c(c1)Cl","",1,"5-Chlorovanillin(1)","19463-48-0(1)","4227","High Reliability"]
[3909,"COC(=O)c1cc(Cl)c(O)cc1\n\n\n","COC(=O)c1ccc(c(c1)Cl)O","O=C(OC)c1ccc(O)c(c1)Cl","",1,"Benzoic acid, 3-chloro-4-hydroxy-, methyl ester(1)","3964-57-6(1)","3449","High Reliability"]
[3910,"Cc1cc(O)c(cc1Cl)C(O)=O\n\n\n","OC(=O)c1cc(Cl)c(cc1O)C","O=C(O)c1cc(c(cc1(O))C)Cl","",1,"Benzoic acid, 5-chloro-2-hydroxy-4-methyl-(1)","35458-35-6(1)","4614","Medium Reliability"]
[3911,"OC(=O)COc1ccc(Cl)cc1\n\n\n","OC(=O)COc1ccc(cc1)Cl","O=C(O)COc1ccc(cc1)Cl","",1,"P-CHLOROPHENOXYACETIC ACID(1)","122-88-3(1)","1397","High Reliability"]
[3912,"OC(=O)COc1cc(Cl)ccc1\n\n\n","OC(=O)COc1cccc(c1)Cl","O=C(O)COc1cccc(c1)Cl","",1,"M-CHLOROPHENOXYACETIC ACID(1)","588-32-9(1)","2267","High Reliability"]
[3913,"OC(=O)COc1ccccc1Cl\nClOC(=O)COc1ccccc1\n\n","OC(=O)COc1ccccc1Cl","O=C(O)COc1ccccc1Cl","",1,"o-chlorophenoxyaceticacid(1)","614-61-9(1)","2428","High Reliability","Name verified in PubChem"]
[3914,"COC(=O)c1cc(I)c(O)cc1\n\n\n","COC(=O)c1ccc(c(c1)I)O","O=C(OC)c1ccc(O)c(c1)I","",1,"Benzoic acid, 4-hydroxy-3-iodo-, methyl ester(1)","15126-06-4(1)","4056","Medium Reliability"]
[3915,"[nH]1ccc2c1cccc2\n[nH]1ccc2ccccc12\n\n","c1ccc2c(c1)[nH]cc2","c1ccc2[nH]ccc2(c1)","",1,"INDOLE(1)","120-72-9(1)","1360","High Reliability"]
[3916,"N#CCc1ccccc1\n\n\n","N#CCc1ccccc1","N#CCc1ccccc1","",1,"PHENYLACETONITRILE(1)","140-29-4(1)","1555","High Reliability"]
[3917,"Cc1c(cc(cc1C(N)=O)[N+]([O-])=O)[N+]([O-])=O\nCc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(N)=O\n\n","[O-][N+](=O)c1cc(C(=O)N)c(c(c1)[N+](=O)[O-])C","O=C(N)c1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-]","",1,"BENZAMIDE, 2-METHYL-3,5-DINITRO-(1)","148-01-6(1)","1613","High Reliability"]
[3918,"CCN(c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","CCN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])N([N+](=O)[O-])CC)[N+](=O)[O-]","",1,"Benzenamine, N-ethyl-N,2,4,6-tetranitro-(1)","6052-13-7(1)","3696","High Reliability"]
[3919,"O=C1COc2ccccc2N1\n\n\n","O=C1COc2c(N1)cccc2","O=C1Nc2ccccc2(OC1)","",1,"2H-1,4-Benzoxazin-3(4H)-one(1)","5466-88-6(1)","3625","High Reliability"]
[3920,"Nc1cc2c(COC2=O)cc1\nNc1ccc2COC(=O)c2c1\n\n","Nc1ccc2c(c1)C(=O)OC2","O=C1OCc2ccc(N)cc12","",1,"1(3H)-Isobenzofuranone, 6-amino-(1)","57319-65-0(1)","4944","High Reliability"]
[3921,"OC(=O)C(=O)Nc1ccccc1\n\n\n","O=C(C(=O)O)Nc1ccccc1","O=C(O)C(=O)Nc1ccccc1","",1,"ACETIC ACID, OXO(PHENYLAMINO)-(1)","500-72-1(1)","1913","High Reliability"]
[3922,"OC(=O)COc1c(cccc1)[N+]([O-])=O\n[O-][N+](=O)OC(=O)COc1ccccc1\nOC(=O)COc1ccccc1[N+]([O-])=O\n","OC(=O)COc1ccccc1[N+](=O)[O-]","O=C(O)COc1ccccc1[N+](=O)[O-]","",1,"o-nitrophenoxyaceticacid(1)","1878-87-1(1)","3011","High Reliability","Name verified in PubChem"]
[3923,"Cc1ccc(cc1)N=C=S\n\n\n","S=C=Nc1ccc(cc1)C","C(=Nc1ccc(cc1)C)=S","",1,"4-METHYLPHENYLISOTHIOCYANATE(1)","622-59-3(1)","2486","High Reliability"]
[3924,"S=C=NCc1ccccc1\n\n\n","S=C=NCc1ccccc1","C(=NCc1ccccc1)=S","",1,"BENZYLISOTHIOCYANATE(1)","622-78-6(1)","2487","High Reliability"]
[3925,"CSc1nc2ccccc2s1\n\n\n","CSc1nc2c(s1)cccc2","n2c1ccccc1sc2SC","",1,"2-METHYLTHIOBENZOTHIAZOLE(1)","615-22-5(1)","2432","High Reliability"]
[3926,"C=Cc1ccccc1\n\n\n","C=Cc1ccccc1","C=Cc1ccccc1","",1,"STYRENE(1)","100-42-5(1)","877","High Reliability"]
[3927,"COP(=S)(OC)Oc1c(Cl)cc(Br)c(Cl)c1\n\n\n","COP(=S)(Oc1cc(Cl)c(cc1Cl)Br)OC","O(c1cc(c(cc1Cl)Br)Cl)P(OC)(OC)=S","",1,"BROMOPHOS(1)","2104-96-3(1)","3097","High Reliability"]
[3928,"COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl\n\n\n","COP(=S)(Oc1cc(Cl)c(cc1Cl)I)OC","O(c1cc(c(cc1Cl)I)Cl)P(OC)(OC)=S","",1,"IODOFENPHOS(1)","18181-70-9(1)","4184","High Reliability"]
[3929,"Cc1cc(O)c(Cl)c(C)c1Cl\n\n\n","Clc1c(C)cc(c(c1C)Cl)O","Oc1cc(c(c(c1Cl)C)Cl)C","",1,"Phenol, 2,4-dichloro-3,5-dimethyl-(1)","133-53-9(1)","1515","High Reliability"]
[3930,"COc1cc(Cl)c(Cl)cc1OC\n\n\n","COc1cc(Cl)c(cc1OC)Cl","O(c1cc(c(cc1(OC))Cl)Cl)C","",1,"4,5-Dichloroveratrole(1)","2772-46-5(1)","3284","High Reliability"]
[3931,"COc1cc(Cl)c(OC)cc1Cl\n\n\n","COc1cc(Cl)c(cc1Cl)OC","O(c1cc(c(OC)cc1Cl)Cl)C","",1,"1,4-DICHLORO-2,5-DIMETHOXYBENZENE(1)","2675-77-6(1)","3272","High Reliability"]
[3932,"OS(=O)(=O)OCCOc1c(Cl)cc(Cl)cc1\n\n\n","Clc1ccc(c(c1)Cl)OCCOS(=O)(=O)O","O=S(=O)(O)OCCOc1ccc(cc1Cl)Cl","",1,"2,4-DES(1)","149-26-8(1)","1618","Medium Reliability"]
[3933,"NS(=O)(=O)c1c(Cl)cc2NC(NS(=O)(=O)c2c1)C(Cl)Cl\nNS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl\n\n","ClC(C1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl","O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))C(Cl)Cl","",1,"TRICHLORMETHIAZIDE(1)","133-67-5(1)","1516","High Reliability"]
[3934,"COP(=S)(OC)Oc1c(Cl)cc(Cl)c(Cl)c1\n\n\n","COP(=S)(Oc1cc(Cl)c(cc1Cl)Cl)OC","O(c1cc(c(cc1Cl)Cl)Cl)P(OC)(OC)=S","",1,"RONNEL(1)","299-84-3(1)","1698","High Reliability"]
[3935,"CC(=O)Nc1ccc(Cl)cc1\n\n\n","CC(=O)Nc1ccc(cc1)Cl","O=C(Nc1ccc(cc1)Cl)C","",1,"P-CHLOROACETANILIDE(1)","539-03-7(1)","2056","High Reliability"]
[3936,"NS(=O)(=O)c1c(cc2NCNS(=O)(=O)c2c1)C(F)(F)F\nNS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F\n\n","FC(c1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N)(F)F","O=S(=O)(N)c1cc2c(cc1C(F)(F)F)NCNS2(=O)(=O)","",1,"HYDROFLUMETHIAZIDE(1)","135-09-1(1)","1523","High Reliability"]
[3937,"Cc1nc2ccccc2[nH]1\n\n\n","Cc1nc2c([nH]1)cccc2","n1c2ccccc2([nH]c1C)","",1,"2-methylbenaimidazole(1)","615-15-6(1)","2431","Medium Reliability","Name verified in PubChem"]
[3938,"COc1c(C#N)c(=O)n(C)cc1\n\n\n","N#Cc1c(OC)ccn(c1=O)C","N#CC=1C(=O)N(C=CC=1(OC))C","",1,"RICIDINE(1)","524-40-3(1)","1986","High Reliability"]
[3939,"NC(=O)c1c(cccc1)C(N)=O\nNC(=O)c1ccccc1C(N)=O\n\n","NC(=O)c1ccccc1C(=O)N","O=C(N)c1ccccc1(C(=O)N)","",1,"1,2-BENZENEDICARBOXAMIDE(1)","88-96-0(1)","625","High Reliability"]
[3940,"CC(=O)Nc1ccc(cc1)[N+]([O-])=O\n\n\n","CC(=O)Nc1ccc(cc1)[N+](=O)[O-]","O=C(Nc1ccc(cc1)[N+](=O)[O-])C","",1,"4-NITROACETANILIDE(1)","104-04-1(1)","946","Medium Reliability"]
[3941,"CC(=O)Nc1c(cccc1)[N+]([O-])=O\n[O-][N+](=O)CC(=O)Nc1ccccc1\n\n","CC(=O)Nc1ccccc1[N+](=O)[O-]","O=C(Nc1ccccc1[N+](=O)[O-])C","",1,"2-nitroacetanilide(1)","552-32-9(1)","2130","Medium Reliability","Name verified in PubChem"]
[3942,"Cn1c(=O)c(C)nc2cncnc12\n\n\n","Cc1nc2cncnc2n(c1=O)C","O=C2C(=Nc1cncnc1N2C)C","",1,"7(8H)-Pteridinone, 6,8-dimethyl-(1)","99584-31-3(1)","5441","Medium Reliability"]
[3943,"Cn1c(=O)n(C)c2nccnc2c1=O\n\n\n","Cn1c2nccnc2c(=O)n(c1=O)C","O=C2c1nccnc1N(C(=O)N2C)C","",1,"2,4(1H,3H)-Pteridinedione, 1,3-dimethyl-(1)","13401-18-8(1)","3972","High Reliability"]
[3944,"CC(=O)OCn1ncc2c1ncnc2O\n\n\n","CC(=O)OCn1ncc2c1ncnc2O","O=C(OCn2ncc1c(O)ncnc12)C","",1,"ALLOPURINOL, 1-[(ACETYLOXY)METHYL]-(1)","98846-64-1(1)","5430","Medium Reliability","Checked on PubChem"]
[3945,"[O-][N+](=O)c1ccc(o1)C=NN2CCNC2=O\n\n\n","O=C1NCCN1N=Cc1ccc(o1)[N+](=O)[O-]","O=C2NCCN2(N=Cc1oc(cc1)[N+](=O)[O-])","",1,"Nifuradene(1)","555-84-0(1)","2151","High Reliability","Stereochemistry removed"]
[3946,"CCNc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","CCNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(c(NCC)c(c1)[N+](=O)[O-])[N+](=O)[O-]","",1,"Benzenamine, N-ethyl-2,4,6-trinitro-(1)","7449-27-6(1)","3843","High Reliability"]
[3947,"NC(N)=Nc1sc2ccccc2n1\n\n\n","NC(=Nc1nc2c(s1)cccc2)N","N(=C(N)N)c2nc1ccccc1s2","",1,"Guanidine, 2-benzothiazolyl-(1)","2582-07-2(1)","3243","High Reliability","Checked on PubChem, Checked on ChemID"]
[3948,"C1OC1c2ccccc2\n\n\n","O1CC1c1ccccc1","O1CC1c2ccccc2","",1,"STYRENE OXIDE(1)","96-09-3(1)","764","High Reliability"]
[3949,"CC(=O)c1ccccc1\n\n\n","CC(=O)c1ccccc1","O=C(c1ccccc1)C","",1,"ACETOPHENONE(1)","98-86-2(1)","828","High Reliability"]
[3950,"Cc1ccc(C=O)cc1\n\n\n","O=Cc1ccc(cc1)C","O=Cc1ccc(cc1)C","",1,"P-TOLUALDEHYDE(1)","104-87-0(1)","960","High Reliability"]
[3951,"COC(=O)c1ccccc1\n\n\n","COC(=O)c1ccccc1","O=C(OC)c1ccccc1","",1,"BENZOIC ACID, METHYL ESTER(1)","93-58-3(1)","705","High Reliability"]
[3952,"COc1ccc(C=O)cc1\n\n\n","COc1ccc(cc1)C=O","O=Cc1ccc(OC)cc1","",1,"P-ANISALDEHYDE(1)","123-11-5(1)","1405","High Reliability"]
[3953,"CC(=O)c1ccc(O)cc1\n\n\n","CC(=O)c1ccc(cc1)O","O=C(c1ccc(O)cc1)C","",1,"P-HYDROXYACETOPHENONE(1)","99-93-4(1)","861","High Reliability"]
[3954,"Cc1ccc(cc1)C(O)=O\n\n\n","OC(=O)c1ccc(cc1)C","O=C(O)c1ccc(cc1)C","",1,"P-TOLUIC ACID(1)","99-94-5(1)","862","High Reliability"]
[3955,"Cc1cccc(c1)C(O)=O\n\n\n","Cc1cccc(c1)C(=O)O","O=C(O)c1cccc(c1)C","",1,"M-TOLUIC ACID(1)","99-04-7(1)","835","High Reliability"]
[3956,"Cc1c(cccc1)C(O)=O\nCc1ccccc1C(O)=O\n\n","OC(=O)c1ccccc1C","O=C(O)c1ccccc1C","",1,"O-TOLUIC ACID(1)","118-90-1(1)","1327","High Reliability"]
[3957,"OC(=O)Cc1ccccc1\n\n\n","OC(=O)Cc1ccccc1","O=C(O)Cc1ccccc1","",1,"PHENYLACETIC ACID(1)","103-82-2(1)","940","High Reliability"]
[3958,"COc1ccc(cc1)C(O)=O\n\n\n","COc1ccc(cc1)C(=O)O","O=C(O)c1ccc(OC)cc1","",2,"P-METHOXYBENZOIC ACID(1), ANISIC ACID(1)","100-09-4(1), 1335-08-6(1)","869, 2894","High Reliability"]
[3959,"COc1ccccc1C(O)=O\nCOOC(=O)c1ccccc1\n\n","COc1ccccc1C(=O)O","O=C(O)c1ccccc1(OC)","",1,"o-methoxybenzoicacid(1)","579-75-9(1)","2223","High Reliability","Name verified in PubChem"]
[3960,"COC(=O)c1ccc(O)cc1\n\n\n","COC(=O)c1ccc(cc1)O","O=C(OC)c1ccc(O)cc1","",1,"4-hydroxymethylbenzoate(1)","99-76-3(1)","856","Medium Reliability","Name verified in PubChem"]
[3961,"COC(=O)c1c(O)cccc1\nCOC(=O)c1ccccc1O\n\n","COC(=O)c1ccccc1O","O=C(OC)c1ccccc1(O)","",1,"METHYL SALICYLATE(1)","119-36-8(1)","1336","High Reliability"]
[3962,"COc1c(O)ccc(C=O)c1\nCOc1cc(C=O)ccc1O\n\n","COc1cc(C=O)ccc1O","O=Cc1ccc(O)c(OC)c1","",1,"VANILLIN(1)","121-33-5(1)","1372","High Reliability"]
[3963,"Cc1cc(O)c(cc1)C(O)=O\nCc1ccc(C(O)=O)c(O)c1\n\n","Cc1ccc(c(c1)O)C(=O)O","O=C(O)c1ccc(cc1(O))C","",1,"4-METHYLSALICYLIC ACID(1)","50-85-1(1)","36","High Reliability"]
[3964,"Cc1cc(C(O)=O)c(O)cc1\nCc1ccc(O)c(c1)C(O)=O\n\n","Cc1ccc(c(c1)C(=O)O)O","O=C(O)c1cc(ccc1(O))C","",1,"5-METHYLSALICYLIC ACID(1)","89-56-5(1)","632","High Reliability"]
[3965,"Cc1c(O)c(ccc1)C(O)=O\nCc1cccc(C(O)=O)c1O\n\n","OC(=O)c1cccc(c1O)C","O=C(O)c1cccc(c1(O))C","",1,"3-METHYLSALICYLIC ACID(1)","83-40-9(1)","523","High Reliability"]
[3966,"OCc1ccccc1C(O)=O\n\n\n","OCc1ccccc1C(=O)O","O=C(O)c1ccccc1CO","",1,"Benzoic acid, 2-(hydroxymethyl)-(1)","612-20-4(1)","2419","Medium Reliability"]
[3967,"OC(C(O)=O)c1ccccc1\n\n\n","OC(c1ccccc1)C(=O)O","O=C(O)C(O)c1ccccc1","",4,"A-HYDROXYPHENYLACETIC ACID(1), BENZENEACETIC ACID, .alpha.-HYDROXY-, (R)-(1), dl-Mandelic acid(1), Benzeneacetic acid, .alpha.-hydroxy-, (S)-(1)","90-64-2(1), 611-71-2(1), 611-72-3(1), 17199-29-0(1)","657, 2415, 2416, 4147","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3968,"OC(=O)Cc1cc(O)ccc1\n\n\n","OC(=O)Cc1cccc(c1)O","O=C(O)Cc1cccc(O)c1","",1,"M-HYDROXYPHENYLACETIC ACID(1)","621-37-4(1)","2479","High Reliability"]
[3969,"OC(=O)Cc1ccc(O)cc1\n\n\n","OC(=O)Cc1ccc(cc1)O","O=C(O)Cc1ccc(O)cc1","",1,"P-HYDROXYPHENYLACETIC ACID(1)","156-38-7(1)","1637","High Reliability"]
[3970,"OC(=O)COc1ccccc1\n\n\n","OC(=O)COc1ccccc1","O=C(O)COc1ccccc1","",1,"PHENOXYACETIC ACID(1)","122-59-8(1)","1393","High Reliability"]
[3971,"COc1cc(ccc1O)C(O)=O\n\n\n","COc1cc(ccc1O)C(=O)O","O=C(O)c1ccc(O)c(OC)c1","",1,"4-HYDROXY-3-METHOXYBENZOIC ACID(1)","121-34-6(1)","1373","High Reliability"]
[3972,"CCOC(=O)c1coc(=O)cc1\n\n\n","CCOC(=O)c1ccc(=O)oc1","O=C1OC=C(C=C1)C(=O)OCC","",1,"2H-Pyran-5-carboxylic acid, 2-oxo-, ethyl ester(1)","5942-96-1(1)","3681","High Reliability"]
[3973,"CC(=O)c1c(O)c(O)c(O)cc1\nCC(=O)c1ccc(O)c(O)c1O\n\n","CC(=O)c1ccc(c(c1O)O)O","O=C(c1ccc(O)c(O)c1(O))C","",1,"Ethanone, 1-(2,3,4-trihydroxyphenyl)-(1)","528-21-2(1)","2004","High Reliability"]
[3974,"CC(=O)c1cc(O)c(O)c(O)c1\n\n\n","CC(=O)c1cc(O)c(c(c1)O)O","O=C(c1cc(O)c(O)c(O)c1)C","",1,"Ethanone, 1-(3,4,5-trihydroxyphenyl)-(1)","33709-29-4(1)","4570","High Reliability"]
[3975,"Cc1cc(O)c(C(O)=O)c(O)c1\n\n\n","OC(=O)c1c(O)cc(cc1O)C","O=C(O)c1c(O)cc(cc1(O))C","",1,"Benzoic acid, 2,6-dihydroxy-4-methyl-(1)","480-67-1(1)","1849","High Reliability"]
[3976,"OC(=O)Cc1c(O)ccc(O)c1\n\n\n","OC(=O)Cc1cc(O)ccc1O","O=C(O)Cc1cc(O)ccc1(O)","",1,"BENZENEACETIC ACID, 2,5-DIHYDROXY-(1)","451-13-8(1)","1792","High Reliability"]
[3977,"OC(=O)C1=C(CC=CC1)C(O)=O\n\n\n","OC(=O)C1=C(CC=CC1)C(=O)O","O=C(O)C1=C(C(=O)O)CC=CC1","",1,"1,4-Cyclohexadiene-1,2-dicarboxylic acid(1)","610-13-9(1)","2407","Medium Reliability"]
[3978,"COC(=O)c1cc(O)c(O)c(O)c1\n\n\n","COC(=O)c1cc(O)c(c(c1)O)O","O=C(OC)c1cc(O)c(O)c(O)c1","",1,"METHYL GALLATE(1)","99-24-1(1)","842","High Reliability"]
[3979,"CCc1ccccc1Br\n\n\n","CCc1ccccc1Br","c1ccc(c(c1)CC)Br","",1,"1-Bromo-2-ethylbenzene(1)","1973-22-4(1)","3055","High Reliability"]
[3980,"BrCCc1ccccc1\n\n\n","BrCCc1ccccc1","c1ccc(cc1)CCBr","",1,"(2-BROMOETHYL)BENZENE(1)","103-63-9(1)","933","High Reliability"]
[3981,"COP(=S)(OC)Oc1ccc(c(Cl)c1)[N+]([O-])=O\n\n\n","COP(=S)(Oc1ccc(c(c1)Cl)[N+](=O)[O-])OC","O=[N+]([O-])c1ccc(OP(OC)(OC)=S)cc1Cl","",1,"3-CHLORO-DIMETHYL PARATHION(1)","500-28-7(1)","1911","Medium Reliability"]
[3982,"COP(=S)(OC)Oc1ccc(cc1Cl)[N+]([O-])=O\n\n\n","COP(=S)(Oc1ccc(cc1Cl)[N+](=O)[O-])OC","O=[N+]([O-])c1ccc(OP(OC)(OC)=S)c(c1)Cl","",1,"DICAPTHON(1)","2463-84-5(1)","3215","High Reliability"]
[3983,"Cc1cc(O)cc(C)c1Cl\n\n\n","Oc1cc(C)c(c(c1)C)Cl","Oc1cc(c(c(c1)C)Cl)C","",1,"4-CHLORO-3,5-DIMETHYL PHENOL(1)","88-04-0(1)","606","High Reliability"]
[3984,"Cc1cc(Cl)cc(C)c1O\n\n\n","Clc1cc(C)c(c(c1)C)O","Oc1c(cc(cc1C)Cl)C","",1,"Phenol, 4-chloro-2,6-dimethyl-(1)","1123-63-3(1)","2842","High Reliability"]
[3985,"C1Cc2ccccc2N1\n\n\n","c1ccc2c(c1)NCC2","c1ccc2c(c1)NCC2","",1,"1H-Indole, 2,3-dihydro-(1)","496-15-1(1)","1893","High Reliability"]
[3986,"CN(C)c1ncc2nccnc2n1\n\n\n","CN(c1ncc2c(n1)nccn2)C","n1ccnc2cnc(nc12)N(C)C","",1,"2-Pteridinamine, N,N-dimethyl-(1)","41047-52-3(1)","4735","Medium Reliability"]
[3987,"CN(C)c1ncnc2c1nccn2\nCN(C)c1ncnc2nccnc12\n\n","CN(c1ncnc2c1nccn2)C","n1cnc(c2nccnc12)N(C)C","",1,"4-Pteridinamine, N,N-dimethyl-(1)","14131-04-5(1)","4009","Medium Reliability"]
[3988,"CC(=O)c1ccc(N)cc1\n\n\n","CC(=O)c1ccc(cc1)N","O=C(c1ccc(N)cc1)C","",1,"4-AMINOACETOPHENONE(1)","99-92-3(1)","860","High Reliability"]
[3989,"CC(=O)Nc1ccccc1\n\n\n","CC(=O)Nc1ccccc1","O=C(Nc1ccccc1)C","",1,"ACETANILIDE(1)","103-84-4(1)","942","High Reliability"]
[3990,"COc1ccccc1C(N)=O\n\n\n","COc1ccccc1C(=O)N","O=C(N)c1ccccc1(OC)","",1,"O-METHOXYBENZAMIDE(1)","2439-77-2(1)","3210","High Reliability"]
[3991,"COC(=O)c1ccc(N)cc1\n\n\n","COC(=O)c1ccc(cc1)N","O=C(OC)c1ccc(N)cc1","",1,"METHYL P-AMINOBENZOATE(1)","619-45-4(1)","2471","High Reliability"]
[3992,"COC(=O)c1c(N)cccc1\nCOC(=O)c1ccccc1N\n\n","COC(=O)c1ccccc1N","O=C(OC)c1ccccc1(N)","",1,"METHYL ANTHRANILATE(1)","134-20-3(1)","1519","High Reliability"]
[3993,"CCc1ccccc1[N+]([O-])=O\n\n\n","CCc1ccccc1[N+](=O)[O-]","O=[N+]([O-])c1ccccc1CC","",1,"2-ETHYLNITROBENZENE(1)","612-22-6(1)","2420","High Reliability"]
[3994,"CC(=O)Nc1ccc(O)cc1\n\n\n","CC(=O)Nc1ccc(cc1)O","O=C(Nc1ccc(O)cc1)C","",1,"ACETAMIDE, N-(4-HYDROXYPHENYL)(1)","103-90-2(1)","945","High Reliability"]
[3995,"CC(=O)Nc1c(O)cccc1\n\n\n","CC(=O)Nc1ccccc1O","O=C(Nc1ccccc1(O))C","",1,"O-HYDROXYACETANILIDE(1)","614-80-2(1)","2430","High Reliability"]
[3996,"CNc1c(cccc1)C(O)=O\nCNc1ccccc1C(O)=O\n\n","CNc1ccccc1C(=O)O","O=C(O)c1ccccc1(NC)","",1,"Benzoic acid, 2-(methylamino)-(1)","119-68-6(1)","1345","High Reliability"]
[3997,"NC(C(O)=O)c1ccccc1\n\n\n","NC(c1ccccc1)C(=O)O","O=C(O)C(N)c1ccccc1","",1,"BENZENEACETIC ACID, .ALPHA.-AMINO-, (.+-.)-(1)","2835-06-5(1)","3292","High Reliability"]
[3998,"NC(=O)OCc1ccccc1\n\n\n","NC(=O)OCc1ccccc1","O=C(OCc1ccccc1)N","",1,"O-BENZYL CARBAMATE(1)","621-84-1(1)","2484","Medium Reliability"]
[3999,"COc1c(O)ccc(C=O)c1N\nCOc1c(N)c(C=O)ccc1O\n\n","COc1c(O)ccc(c1N)C=O","O=Cc1ccc(O)c(OC)c1(N)","",1,"Benzaldehyde, 2-amino-4-hydroxy-3-methoxy-(1)","89984-23-6(1)","5346","High Reliability"]
[4000,"Cl.Cc1c(O)c(C=O)c(CO)cn1\n[H+].[Cl-].Cc1ncc(CO)c(C=O)c1O\nCc1c(O)c(C=O)c(CO)cn1\nCc1ncc(CO)c(C=O)c1O","O=Cc1c(CO)cnc(c1O)C","O=Cc1c(O)c(ncc1CO)C","",2,"PYRIDOXAL HYDROCHLORIDE(1), PYRIDOXAL(1)","65-22-5(1), 66-72-8(1)","234, 245","High Reliability","Differences in counterions"]
[4001,"COc1cc(c(OC)cc1)[N+]([O-])=O\n\n\n","COc1ccc(c(c1)[N+](=O)[O-])OC","O=[N+]([O-])c1cc(OC)ccc1(OC)","",1,"Benzene, 1,4-dimethoxy-2-nitro-(1)","89-39-4(1)","630","High Reliability"]
[4002,"OCCc1cc(c(O)cc1)N(=O)=O\nOCCc1ccc(O)c(c1)[N+]([O-])=O\n\n","OCCc1ccc(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(ccc1(O))CCO","",1,"Benzeneethanol, 4-hydroxy-3-nitro-(1)","118172-64-8(1)","5618","Medium Reliability"]
[4003,"COP1(=S)OCc2ccccc2O1\n\n\n","COP1(=S)OCc2c(O1)cccc2","O2c1ccccc1COP2(OC)=S","",1,"SALITHION(1)","3811-49-2(1)","3435","High Reliability"]
[4004,"C1Cc2ccccc2C1\n\n\n","C1Cc2c(C1)cccc2","c1ccc2c(c1)CCC2","",1,"INDANE(1)","496-11-7(1)","1892","High Reliability"]
[4005,"Cc1cc(C=C)ccc1\nCc1cccc(C=C)c1\n\n","C=Cc1cccc(c1)C","C=Cc1cccc(c1)C","",1,"M-METHYLSTYRENE(1)","100-80-1(1)","899","High Reliability"]
[4006,"Cc1ccc(C=C)cc1\n\n\n","C=Cc1ccc(cc1)C","C=Cc1ccc(cc1)C","",1,"P-METHYLSTYRENE(1)","622-97-9(1)","2490","High Reliability"]
[4007,"CC(=C)c1ccccc1\n\n\n","CC(=C)c1ccccc1","C=C(c1ccccc1)C","",1,"ALPHA-METHYLSTYRENE(1)","98-83-9(1)","825","High Reliability"]
[4008,"CON(C)C(=O)Nc1cc(Cl)c(Br)cc1\n\n\n","CON(C(=O)Nc1ccc(c(c1)Cl)Br)C","O=C(Nc1ccc(c(c1)Cl)Br)N(OC)C","",1,"CHLORBROMURON(1)","13360-45-7(1)","3970","High Reliability"]
[4009,"CC(=O)Nc1c(C)cc(Br)cc1\n\n\n","CC(=O)Nc1ccc(cc1C)Br","O=C(Nc1ccc(cc1C)Br)C","",1,"2-methyl-4-bromoacetanilide(1)","24106-05-6(1)","4357","Medium Reliability","Name verified in PubChem"]
[4010,"CN(C)C(=O)Nc1cc(Cl)c(Cl)cc1\nCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1\n\n","O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl","O=C(Nc1ccc(c(c1)Cl)Cl)N(C)C","",1,"DIURON(1)","330-54-1(1)","1739","High Reliability"]
[4011,"CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1\n\n\n","CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C","O=C(Nc1ccc(c(c1)Cl)Cl)N(OC)C","",1,"LINURON(1)","330-55-2(1)","1740","High Reliability"]
[4012,"[O-][N+](=O)N=C1NCCN1Cc2cnc(Cl)cc2\n[O-][N+](=O)NC1=NCCN1Cc2ccc(Cl)nc2\n\n","[O-][N+](=O)N=C1NCCN1Cc1ccc(nc1)Cl","O=[N+]([O-])N=C1NCCN1Cc2cnc(cc2)Cl","",1,"IMIDACLOPRID(1)","138261-41-3(1)","5708","High Reliability","Stereochemistry removed"]
[4013,"CC(=O)Nc1c(C)cc(Cl)cc1\n\n\n","CC(=O)Nc1ccc(cc1C)Cl","O=C(Nc1ccc(cc1C)Cl)C","",1,"Acetamide, N-(4-chloro-2-methylphenyl)-(1)","5202-86-8(1)","3574","High Reliability"]
[4014,"CC(Nc1ccccc1Cl)C(O)=O\n\n\n","OC(=O)C(Nc1ccccc1Cl)C","O=C(O)C(Nc1ccccc1Cl)C","",1,"DL-Alanine, N-(2-chlorophenyl)-(1)","35224-54-5(1)","4608","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[4015,"CC(=O)Nc1c(F)cc(C)cc1\n\n\n","CC(=O)Nc1ccc(cc1F)C","O=C(Nc1ccc(cc1(F))C)C","",1,"Acetamide, N-(2-fluoro-4-methylphenyl)-(1)","326-67-0(1)","1731","Medium Reliability"]
[4016,"CC(=O)Nc1c(C)cc(F)cc1\n\n\n","CC(=O)Nc1ccc(cc1C)F","O=C(Nc1ccc(F)cc1C)C","",1,"Acetamide, N-(4-fluoro-2-methylphenyl)-(1)","326-65-8(1)","1730","Medium Reliability"]
[4017,"CC(=O)c1cc(NC(N)=O)ccc1\nCC(=O)c1cccc(NC(N)=O)c1\n\n","NC(=O)Nc1cccc(c1)C(=O)C","O=C(N)Nc1cccc(c1)C(=O)C","",1,"Urea, (3-acetylphenyl)-(1)","42865-71-4(1)","4767","Medium Reliability"]
[4018,"CCOc1ccc2nc(sc2c1)S(N)(=O)=O\n\n\n","CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N","O=S(=O)(N)c2nc1ccc(OCC)cc1s2","",1,"ETHOXYZOLAMIDE(1)","452-35-7(1)","1794","High Reliability"]
[4019,"Cc1ncc2nc(C)c(C)nc2n1\n\n\n","Cc1ncc2c(n1)nc(c(n2)C)C","n1cc2nc(c(nc2(nc1C))C)C","",1,"Pteridine, 2,6,7-trimethyl-(1)","23767-00-2(1)","4349","Medium Reliability"]
[4020,"Cn1c(=O)nc(O)c2c1nc(C)c(C)n2\nCn1c(=O)[nH]c(=O)c2nc(C)c(C)nc12\n\n","Cc1nc2c(O)nc(=O)n(c2nc1C)C","O=C2N=C(O)c1nc(c(nc1N2C)C)C","",1,"2,4(1H,3H)-Pteridinedione, 1,6,7-trimethyl-(1)","50256-21-8(1)","4779","Medium Reliability"]
[4021,"Nc1ccc(cc1)S(=O)(=O)Nc2ncc[nH]2\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1ncc[nH]1","O=S(=O)(Nc1ncc[nH]1)c2ccc(N)cc2","",1,"Benzenesulfonamide, 4-amino-N-1H-imidazol-2-yl-(1)","17103-46-7(1)","4137","Medium Reliability"]
[4022,"Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C","O=S(=O)(Nc1nnc(C)s1)c2ccc(N)cc2","",1,"SULFAMETHIAZOLE(1)","144-82-1(1)","1604","High Reliability"]
[4023,"COP(=S)(OC)Oc1ccc(cc1)C#N\n\n\n","COP(=S)(Oc1ccc(cc1)C#N)OC","N#Cc1ccc(OP(OC)(OC)=S)cc1","",1,"CYANOPHOS(1)","2636-26-2(1)","3265","High Reliability"]
[4024,"CCC(=O)c1ccccc1\n\n\n","CCC(=O)c1ccccc1","O=C(c1ccccc1)CC","",1,"PROPIOPHENONE(1)","93-55-0(1)","704","High Reliability"]
[4025,"CC(=O)c1ccc(C)cc1\n\n\n","Cc1ccc(cc1)C(=O)C","O=C(c1ccc(cc1)C)C","",1,"P-METHYLACETOPHENONE(1)","122-00-9(1)","1385","High Reliability"]
[4026,"Oc1cc2c(CCC2)cc1\n\n\n","Oc1ccc2c(c1)CCC2","Oc1ccc2c(c1)CCC2","",1,"5-INDANOL(1)","1470-94-6(1)","2912","High Reliability"]
[4027,"COCC(=O)c1ccccc1\n\n\n","COCC(=O)c1ccccc1","O=C(c1ccccc1)COC","",1,"Ethanone, 2-methoxy-1-phenyl-(1)","4079-52-1(1)","3456","High Reliability"]
[4028,"CCOC(=O)c1ccccc1\n\n\n","CCOC(=O)c1ccccc1","O=C(OCC)c1ccccc1","",1,"ETHYL BENZOATE(1)","93-89-0(1)","713","High Reliability"]
[4029,"CCOc1c(C=O)cccc1\nCCOc1ccccc1C=O\n\n","CCOc1ccccc1C=O","O=Cc1ccccc1(OCC)","",1,"Benzaldehyde, 2-ethoxy-(1)","613-69-4(1)","2425","High Reliability"]
[4030,"Oc1c(O)cc(CC=C)cc1\nCC=Cc1cc(O)c(O)cc1\n\n","C=CCc1ccc(c(c1)O)O","Oc1ccc(cc1(O))CC=C","",2,"1,2-Benzenediol, 4-(2-propenyl)-(1), 1,2-Benzenediol, 4-(1-propenyl)-(1)","1126-61-0(1), 72898-29-4(1)","2846, 5179","Medium Reliability","Checked on PubChem"]
[4031,"C(Oc1ccccc1)C2CO2\n\n\n","O1CC1COc1ccccc1","O(c1ccccc1)CC2OC2","",1,"PHENYL GLYDIDYL ETHER(1)","122-60-1(1)","1394","Medium Reliability"]
[4032,"CCC(=O)c1ccc(O)cc1\n\n\n","CCC(=O)c1ccc(cc1)O","O=C(c1ccc(O)cc1)CC","",1,"P-HYDROXYPROPIOPHENONE(1)","70-70-2(1)","280","High Reliability"]
[4033,"Cc1c(C)cc(cc1)C(O)=O\nCc1ccc(cc1C)C([O-])=O\n\n","OC(=O)c1ccc(c(c1)C)C","O=C(O)c1ccc(c(c1)C)C","",1,"3,4-Dimethylbenzoic acid(1)","619-04-5(1)","2469","High Reliability"]
[4034,"CC(=O)OCc1ccccc1\n\n\n","CC(=O)OCc1ccccc1","O=C(OCc1ccccc1)C","",1,"BENZYL ACETATE(1)","140-11-4(1)","1553","High Reliability"]
[4035,"OC(=O)CCc1ccccc1\n\n\n","OC(=O)CCc1ccccc1","O=C(O)CCc1ccccc1","",1,"BETA-PHENYLPROPIONIC ACID(1)","501-52-0(1)","1915","High Reliability"]
[4036,"COc1ccc(OC)c(C=O)c1\n\n\n","COc1ccc(c(c1)C=O)OC","O=Cc1cc(OC)ccc1(OC)","",1,"Benzaldehyde, 2,5-dimethoxy-(1)","93-02-7(1)","696","High Reliability"]
[4037,"COc1ccc(C=O)cc1OC\n\n\n","COc1cc(C=O)ccc1OC","O=Cc1ccc(OC)c(OC)c1","",1,"BENZALDEHYDE, 3,4-DIMETHOXY-(1)","120-14-9(1)","1352","High Reliability"]
[4038,"COC(=O)c1ccc(OC)cc1\n\n\n","COc1ccc(cc1)C(=O)OC","O=C(OC)c1ccc(OC)cc1","",1,"P-ANISIC ACID, METHYL ESTER(1)","121-98-2(1)","1384","High Reliability"]
[4039,"CCOC(=O)c1ccc(O)cc1\n\n\n","CCOC(=O)c1ccc(cc1)O","O=C(OCC)c1ccc(O)cc1","",1,"P-HYDROXYBENZOIC ACID,ETHYL ESTER(1)","120-47-8(1)","1357","Medium Reliability"]
[4040,"CCOc1c(O)ccc(C=O)c1\nCCOc1cc(C=O)ccc1O\n\n","CCOc1cc(C=O)ccc1O","O=Cc1ccc(O)c(OCC)c1","",1,"BENZALDEHYDE, 3-ETHOXY-4-HYDROXY-(1)","121-32-4(1)","1371","High Reliability"]
[4041,"COc1cc(ccc1O)C(C)=O\n\n\n","COc1cc(ccc1O)C(=O)C","O=C(c1ccc(O)c(OC)c1)C","",1,"Ethanone, 1-(4-hydroxy-3-methoxyphenyl)-(1)","498-02-2(1)","1899","High Reliability"]
[4042,"COc1c(O)cc(C)c(C=O)c1\nCOc1cc(C=O)c(C)cc1O\n\n","COc1cc(C=O)c(cc1O)C","O=Cc1cc(OC)c(O)cc1C","",1,"Benzaldehyde, 4-hydroxy-5-methoxy-2-methyl-(1)","42044-81-5(1)","4756","Medium Reliability"]
[4043,"COc1c(O)ccc(C=O)c1C\nCOc1c(C)c(C=O)ccc1O\n\n","COc1c(O)ccc(c1C)C=O","O=Cc1ccc(O)c(OC)c1C","",1,"Benzaldehyde, 4-hydroxy-3-methoxy-2-methyl-(1)","18102-32-4(1)","4179","Medium Reliability"]
[4044,"Cc1ccc(OCC(O)=O)cc1\n\n\n","OC(=O)COc1ccc(cc1)C","O=C(O)COc1ccc(cc1)C","",1,"P-METHYLPHENOXYACETIC ACID(1)","940-64-7(1)","2764","High Reliability"]
[4045,"Cc1c(OCC(O)=O)cccc1\nCOC(=O)COc1ccccc1\n\n","OC(=O)COc1ccccc1C","O=C(O)COc1ccccc1C","",1,"o-methylphenoxyaceticacid(1)","1878-49-5(1)","3009","High Reliability","Name verified in PubChem"]
[4046,"OCC(C(O)=O)c1ccccc1\n\n\n","OCC(c1ccccc1)C(=O)O","O=C(O)C(c1ccccc1)CO","",2,"BENZENEACETIC ACID, .alpha.-(HYDROXYMETHYL)-,(1), TROPIC ACID(1)","552-63-6(1), 529-64-6(1)","2132, 2012","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID"]
[4047,"COCOC(=O)c1ccccc1O\n\n\n","COCOC(=O)c1ccccc1O","O=C(OCOC)c1ccccc1(O)","",1,"Benzoic acid, 2-hydroxy-, methoxymethyl ester(1)","575-82-6(1)","2209","High Reliability"]
[4048,"COc1ccc(cc1OC)C(O)=O\n\n\n","COc1cc(ccc1OC)C(=O)O","O=C(O)c1ccc(OC)c(OC)c1","",1,"3,4-DIMETHOXYBENZOIC ACID(1)","93-07-2(1)","697","High Reliability"]
[4049,"OCCOC(=O)c1ccccc1O\n\n\n","OCCOC(=O)c1ccccc1O","O=C(OCCO)c1ccccc1(O)","",1,"Benzoic acid, 2-hydroxy-, 2-hydroxyethyl ester(1)","87-28-5(1)","584","High Reliability"]
[4050,"OC(C(O)c1ccccc1)C(O)=O\n\n\n","OC(C(C(=O)O)O)c1ccccc1","O=C(O)C(O)C(O)c1ccccc1","",1,"Benzenepropanoic acid, .alpha.,.beta.-dihydroxy-(1)","5695-95-4(1)","3655","Medium Reliability"]
[4051,"COC(=O)CS(=O)(=O)c1ccccc1\n\n\n","COC(=O)CS(=O)(=O)c1ccccc1","O=C(OC)CS(=O)(=O)c1ccccc1","",1,"Methyl phenylsulfonyl acetate(1)","34097-60-4(1)","4577","Medium Reliability","Checked on PubChem, Checked on ChemID"]
[4052,"CC(C)c1ccccc1Br\n\n\n","CC(c1ccccc1Br)C","c1ccc(c(c1)C(C)C)Br","",1,"BENZENE, 1-BROMO-2-(1-METHYLETHYL)-(1)","7073-94-1(1)","3813","High Reliability"]
[4053,"CON(C)C(=O)Nc1ccc(Br)cc1\n\n\n","CON(C(=O)Nc1ccc(cc1)Br)C","O=C(Nc1ccc(cc1)Br)N(OC)C","",1,"METOBROMURON(1)","3060-89-7(1)","3321","High Reliability"]
[4054,"CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1\n\n\n","CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C","O=S(=O)(N(c1ccccc1)SC(F)(Cl)Cl)N(C)C","",1,"DICHLOFLUANID(1)","1085-98-9(1)","2822","High Reliability"]
[4055,"COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl\n\n\n","COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC","O(c1c(cc(cc1Cl)C)Cl)P(OC)(OC)=S","",1,"TOLCLOFOS-METHYL(1)","57018-04-9(1)","4938","High Reliability"]
[4056,"CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl\n\n\n","CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC","n1c(OP(OCC)(OCC)=S)c(cc(c1Cl)Cl)Cl","",1,"CHLORPYRIFOS(1)","2921-88-2(1)","3298","Medium Reliability"]
[4057,"CN(C)C(=O)Nc1ccc(Cl)cc1\n\n\n","CN(C(=O)Nc1ccc(cc1)Cl)C","O=C(Nc1ccc(cc1)Cl)N(C)C","",1,"MONURON(1)","150-68-5(1)","1626","High Reliability"]
[4058,"CON(C)C(=O)Nc1ccc(Cl)cc1\n\n\n","CON(C(=O)Nc1ccc(cc1)Cl)C","O=C(Nc1ccc(cc1)Cl)N(OC)C","",1,"MONOLINURON(1)","1746-81-2(1)","2979","High Reliability"]
[4059,"OCC(O)COc1ccc(Cl)cc1\n\n\n","OCC(COc1ccc(cc1)Cl)O","OCC(O)COc1ccc(cc1)Cl","",1,"Chlorphenesin(1)","104-29-0(1)","951","High Reliability"]
[4060,"CCCc1cc(F)ccc1O\n\n\n","CCCc1cc(F)ccc1O","Fc1ccc(O)c(c1)CCC","",1,"4-Fluoro-2-propyl-phenol(1)","398-88-9(1)","1772","Medium Reliability"]
[4061,"OCC1OC(CC1O)n2cc(I)c(=O)[nH]c2=O\n\n\n","OCC1OC(CC1O)n1cc(I)c(=O)[nH]c1=O","O=C1NC(=O)N(C=C1I)C2OC(CO)C(O)C2","",1,"URIDINE, 2'-DEOXY-5-IODO-(1)","54-42-2(1)","78","High Reliability","Stereochemistry removed"]
[4062,"CCC(=O)c1ccc(N)cc1\n\n\n","CCC(=O)c1ccc(cc1)N","O=C(c1ccc(N)cc1)CC","",1,"1-Propanone, 1-(4-aminophenyl)-(1)","70-69-9(1)","279","High Reliability"]
[4063,"CC(=O)Nc1ccc(C)cc1\n\n\n","CC(=O)Nc1ccc(cc1)C","O=C(Nc1ccc(cc1)C)C","",1,"4-METHYLACETANILIDE(1)","103-89-9(1)","944","High Reliability"]
[4064,"CC(=O)Nc1cccc(C)c1\n\n\n","CC(=O)Nc1cccc(c1)C","O=C(Nc1cccc(c1)C)C","",1,"3-METHYLACETANILIDE(1)","537-92-8(1)","2049","High Reliability"]
[4065,"CN(C(C)=O)c1ccccc1\n\n\n","CN(c1ccccc1)C(=O)C","O=C(N(c1ccccc1)C)C","",1,"N-METHYLACETANILIDE(1)","579-10-2(1)","2219","High Reliability"]
[4066,"CN(C)c1ccc(cc1)C(O)=O\n\n\n","CN(c1ccc(cc1)C(=O)O)C","O=C(O)c1ccc(cc1)N(C)C","",1,"4-DIMETHYLAMINO BENZOIC ACID(1)","619-84-1(1)","2476","Medium Reliability"]
[4067,"CCOC(=O)c1ccc(N)cc1\n\n\n","CCOC(=O)c1ccc(cc1)N","O=C(OCC)c1ccc(N)cc1","",1,"P-AMINOBENZOIC ACID, ETHYL ESTER(1)","94-09-7(1)","716","High Reliability"]
[4068,"CS(O)(=O)=O.CCOC(=O)c1cc(N)ccc1\n\n\n","CCOC(=O)c1cccc(c1)N","O=C(OCC)c1cccc(N)c1","",1,"Tricaine(1)","886-86-2(1)","2733","Medium Reliability"]
[4069,"COc1ccc(NC(C)=O)cc1\n\n\n","COc1ccc(cc1)NC(=O)C","O=C(Nc1ccc(OC)cc1)C","",1,"P-METHOXYACETANILIDE(1)","51-66-1(1)","51","High Reliability"]
[4070,"NC(Cc1ccccc1)C(O)=O\n\n\n","NC(C(=O)O)Cc1ccccc1","O=C(O)C(N)Cc1ccccc1","",3,"PHENYLALANINE(1), DL-PHENYLALANINE(1), D-Phenylalanine(1)","63-91-2(1), 150-30-1(1), 673-06-3(1)","222, 1625, 2624","High Reliability","Stereochemistry removed"]
[4071,"NC(Cc1ccccc1O)C(O)=O\n\n\n","OC(=O)C(Cc1ccccc1O)N","O=C(O)C(N)Cc1ccccc1(O)","",1,"Phenylalanine, 2-hydroxy-(1)","709-16-0(1)","2652","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[4072,"NC(Cc1ccc(O)cc1)C(O)=O\n\n\n","OC(=O)C(Cc1ccc(cc1)O)N","O=C(O)C(N)Cc1ccc(O)cc1","",3,"TYROSINE(1), D-Tyrosine(1), DL-TYROSINE(1)","60-18-4(1), 556-02-5(1), 556-03-6(1)","183, 2153, 2154","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[4073,"CCOC(=O)CNC(=O)c1ccco1\n\n\n","CCOC(=O)CNC(=O)c1ccco1","O=C(OCC)CNC(=O)c1occc1","",1,"Glycine, N-(2-furanylcarbonyl)-, ethyl ester(1)","66318-15-8(1)","5062","Medium Reliability"]
[4074,"NC(Cc1cc(O)c(O)cc1)C(O)=O\nNC(Cc1ccc(O)c(O)c1)C(O)=O\n\n","OC(=O)C(Cc1ccc(c(c1)O)O)N","O=C(O)C(N)Cc1ccc(O)c(O)c1","",2,"DOPA(1), TYROSINE, 3-HYDROXY-(1)","59-92-7(1), 5796-17-8(1)","177, 3663","High Reliability","Stereochemistry removed"]
[4075,"OCCNC(=O)c1c(O)ccc(O)c1\nOCCNC(=O)c1cc(O)ccc1O\n\n","OCCNC(=O)c1cc(O)ccc1O","O=C(NCCO)c1cc(O)ccc1(O)","",1,"Benzamide, 2,5-dihydroxy-N-(2-hydroxyethyl)-(1)","61969-53-7(1)","5011","High Reliability"]
[4076,"Cc1ccc(cc1)S(=O)(=O)NCC(O)=O\n\n\n","OC(=O)CNS(=O)(=O)c1ccc(cc1)C","O=C(O)CNS(=O)(=O)c1ccc(cc1)C","",1,"Glycine, N-[(4-methylphenyl)sulfonyl]-(1)","1080-44-0(1)","2819","High Reliability"]
[4077,"CN=C(O)Sc1ccc(OS(C)(=O)=O)cc1\nCNC(=O)Sc1ccc(OS(C)(=O)=O)cc1\n\n","CN=C(Sc1ccc(cc1)OS(=O)(=O)C)O","O=S(=O)(Oc1ccc(cc1)SC(O)=NC)C","",1,"Methasulfocarb(1)","66952-49-6(1)","5071","High Reliability"]
[4078,"CCCc1ccccc1\n\n\n","CCCc1ccccc1","c1ccc(cc1)CCC","",1,"N-PROPYLBENZENE(1)","103-65-1(1)","934","High Reliability"]
[4079,"CC=C1CC2CC1C=C2\n\n\n","CC=C1CC2CC1C=C2","C(=C1CC2C=CC1C2)C","",1,"ETHYLIDENE NORBORNENE(1)","16219-75-3(1)","4098","High Reliability","Stereochemistry removed"]
[4080,"C#CCCCCCC#C\n\n\n","C#CCCCCCC#C","C#CCCCCCC#C","",1,"1,8-NONADIYNE(1)","2396-65-8(1)","3191","High Reliability"]
[4081,"CCc1ccc(C)cc1\n\n\n","CCc1ccc(cc1)C","c1cc(ccc1C)CC","",1,"P-ETHYLTOLUENE(1)","622-96-8(1)","2489","High Reliability"]
[4082,"CCc1ccccc1C\n\n\n","CCc1ccccc1C","c1ccc(c(c1)C)CC","",1,"1-ETHYL-2-METHYLBENZENE(1)","611-14-3(1)","2412","High Reliability"]
[4083,"Cc1cc(C)c(C)cc1\n\n\n","Cc1ccc(c(c1)C)C","c1cc(c(cc1C)C)C","",1,"1,2,4-TRIMETHYLBENZENE(1)","95-63-6(1)","752","High Reliability"]
[4084,"Cc1cc(C)cc(C)c1\n\n\n","Cc1cc(C)cc(c1)C","c1c(cc(cc1C)C)C","",1,"1,3,5-TRIMETHYLBENZENE(1)","108-67-8(1)","1095","High Reliability"]
[4085,"Cc1cccc(C)c1C\n\n\n","Cc1c(C)cccc1C","c1cc(c(c(c1)C)C)C","",1,"1,2,3-TRIMETHYLBENZENE(1)","526-73-8(1)","1991","High Reliability"]
[4086,"CC(C)c1ccccc1\n\n\n","CC(c1ccccc1)C","c1ccc(cc1)C(C)C","",1,"CUMENE(1)","98-82-8(1)","824","High Reliability"]
[4087,"COP(=S)(OC)SCSc1ccc(Cl)cc1\n\n\n","COP(=S)(SCSc1ccc(cc1)Cl)OC","O(C)P(OC)(=S)SCSc1ccc(cc1)Cl","",1,"CARBOPHENOTHION-METHYL(1)","953-17-3(1)","2774","Medium Reliability"]
[4088,"COP(=O)(OC)OC1=C(Cl)C2C=CCC12\n\n\n","COP(=O)(OC1=C(Cl)C2C1CC=C2)OC","O=P(OC1=C(C2C=CCC12)Cl)(OC)OC","",1,"Heptenophos(1)","23560-59-0(1)","4343","High Reliability"]
[4089,"CN(C)C(=O)Nc1ccccc1\n\n\n","CN(C(=O)Nc1ccccc1)C","O=C(Nc1ccccc1)N(C)C","",1,"FENURON(1)","101-42-8(1)","909","High Reliability"]
[4090,"CN(C(N)=O)c1ccc(C)cc1\n\n\n","CN(c1ccc(cc1)C)C(=O)N","O=C(N)N(c1ccc(cc1)C)C","",1,"Urea, 1-methyl-1-p-tolyl-(1)","6305-07-3(1)","3734","Medium Reliability"]
[4091,"CN(C(N)=O)c1ccccc1C\n\n\n","NC(=O)N(c1ccccc1C)C","O=C(N)N(c1ccccc1C)C","",1,"Urea, 1-methyl-1-o-tolyl-(1)","20632-28-4(1)","4263","Medium Reliability"]
[4092,"CCOc1ccc(NC(N)=O)cc1\n\n\n","CCOc1ccc(cc1)NC(=O)N","O=C(N)Nc1ccc(OCC)cc1","",1,"Dulcin(1)","150-69-6(1)","1627","High Reliability"]
[4093,"CCCOc1c(N)cc(cc1)[N+]([O-])=O\nCCCOc1ccc(cc1N)[N+]([O-])=O\n\n","CCCOc1ccc(cc1N)[N+](=O)[O-]","O=[N+]([O-])c1ccc(OCCC)c(N)c1","",1,"5-Nitro-2-propoxyaniline(1)","553-79-7(1)","2137","High Reliability"]
[4094,"CCC1(CC=C)C(=O)NC(=O)NC1=O\n\n\n","C=CCC1(CC)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC=C)CC","",1,"5-ALLYL-5-ETHYL BARBITURIC ACID(1)","2373-84-4(1)","3181","Medium Reliability"]
[4095,"CCC1(CC(C)=O)C(O)=NC(=O)N=C1O\nCCC1(CC(C)=O)C(=O)NC(=O)NC1=O\n\n","CCC1(CC(=O)C)C(=NC(=O)N=C1O)O","O=C1N=C(O)C(C(O)=N1)(CC(=O)C)CC","",1,"Barbituric acid, 5-acetonyl-5-ethyl-(1)","90438-06-5(1)","5353","Medium Reliability"]
[4096,"COP(=S)(OC)Oc1ccc(c(C)c1)[N+]([O-])=O\n\n\n","COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC","O=[N+]([O-])c1ccc(OP(OC)(OC)=S)cc1C","",1,"FENITROTHION(1)","122-14-5(1)","1387","High Reliability"]
[4097,"CCCc1ccc(O)cc1\n\n\n","CCCc1ccc(cc1)O","Oc1ccc(cc1)CCC","",1,"4-PROPYLPHENOL(1)","645-56-7(1)","2613","High Reliability"]
[4098,"CCc1cc(O)cc(C)c1\n\n\n","CCc1cc(C)cc(c1)O","Oc1cc(cc(c1)CC)C","",1,"3-ETHYL-5-METHYLPHENOL(1)","698-71-5(1)","2645","High Reliability"]
[4099,"Cc1ccc(C)c(O)c1C\n\n\n","Cc1ccc(c(c1O)C)C","Oc1c(ccc(c1C)C)C","",1,"2,3,6-TRIMETHYLPHENOL(1)","2416-94-6(1)","3195","High Reliability"]
[4100,"Cc1cc(O)c(C)c(C)c1\n\n\n","Cc1cc(C)c(c(c1)O)C","Oc1cc(cc(c1C)C)C","",1,"2,3,5-TRIMETHYLPHENOL(1)","697-82-5(1)","2644","High Reliability"]
[4101,"Cc1cc(C)c(O)c(C)c1\n\n\n","Cc1cc(C)c(c(c1)C)O","Oc1c(cc(cc1C)C)C","",1,"2,4,6-TRIMETHYLPHENOL(1)","527-60-6(1)","2000","High Reliability"]
[4102,"OCCCc1ccccc1\n\n\n","OCCCc1ccccc1","OCCCc1ccccc1","",1,"3-PHENYLPROPANOL(1)","122-97-4(1)","1398","High Reliability"]
[4103,"CC(O)COc1ccccc1\n\n\n","CC(COc1ccccc1)O","OC(C)COc1ccccc1","",1,"1-PHENOXY-2-PROPANOL(1)","770-35-4(1)","2685","High Reliability"]
[4104,"CC(C)(OO)c1ccccc1\nCC(C)c1ccccc1.O[O-]\n\n","OOC(c1ccccc1)(C)C","OOC(c1ccccc1)(C)C","",1,"cumenehydroperoxide(1)","80-15-9(1)","487","High Reliability","Name verified in PubChem"]
[4105,"OCCOCc1ccccc1\n\n\n","OCCOCc1ccccc1","OCCOCc1ccccc1","",1,"ETHYLENE GLYCOL MONOBENZYL ETHER(1)","622-08-2(1)","2485","High Reliability"]
[4106,"CC1(CCCC=C1C(O)=O)C(O)=O\n\n\n","OC(=O)C1=CCCCC1(C)C(=O)O","O=C(O)C1=CCCCC1(C(=O)O)C","",1,"2-Cyclohexene-1,2-dicarboxylic acid, 1-methyl-(1)","6321-87-5(1)","3742","High Reliability"]
[4107,"CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O\n\n\n","CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C","O=C1NC(=C(C(=O)N1C(C)CC)Br)C","",1,"BROMACIL(1)","314-40-9(1)","1720","High Reliability"]
[4108,"Cc1c(Cl)c(=O)n(c(=O)[nH]1)C(C)(C)C\n\n\n","Cc1[nH]c(=O)n(c(=O)c1Cl)C(C)(C)C","O=C1NC(=C(C(=O)N1C(C)(C)C)Cl)C","",1,"TERBACIL(1)","5902-51-2(1)","3676","High Reliability"]
[4109,"CCNc1nc(NC(C)(C)C#N)nc(Cl)n1\n\n\n","CCNc1nc(nc(n1)Cl)NC(C#N)(C)C","N#CC(Nc1nc(nc(n1)Cl)NCC)(C)C","",1,"CYANAZINE(1)","21725-46-2(1)","4300","High Reliability"]
[4110,"CN(C)Cc1ccccc1\n\n\n","CN(Cc1ccccc1)C","c1ccc(cc1)CN(C)C","",1,"N,N-DIMETHYLBENZYLAMINE(1)","103-83-3(1)","941","High Reliability"]
[4111,"Cc1cc(C)c(N)cc1C\n\n\n","Cc1cc(N)c(cc1C)C","Nc1cc(c(cc1C)C)C","",1,"2,4,5-Trimethylaniline(1)","137-17-7(1)","1531","High Reliability"]
[4112,"Cc1nc(C)c(C)c(C)c1\n\n\n","Cc1cc(C)c(c(n1)C)C","n1c(cc(c(c1C)C)C)C","",1,"Pyridine, 2,3,4,6-tetramethyl-(1)","20820-82-0(1)","4279","High Reliability"]
[4113,"CN(C)c1ccc(C)cc1\n\n\n","Cc1ccc(cc1)N(C)C","c1cc(ccc1N(C)C)C","",1,"N,N,4-TRIMETHYLANILINE(1)","99-97-8(1)","864","High Reliability"]
[4114,"Cn1c(=O)cc(N)n(CC(C)=C)c1=O\n\n\n","Cn1c(=O)n(CC(=C)C)c(cc1=O)N","O=C1C=C(N)N(C(=O)N1C)CC(=C)C","",1,"Amisometradine(1)","550-28-7(1)","2122","Medium Reliability"]
[4115,"Nc1nc(=O)n(cc1)C2CCC(CO)O2\n\n\n","Nc1ccn(c(=O)n1)C1CCC(O1)CO","O=C1N=C(N)C=CN1C2OC(CO)CC2","",1,"CYTIDINE, 2',3'-DIDEOXY-(1)","7481-89-2(1)","3848","High Reliability","Stereochemistry removed"]
[4116,"CC(N)C(O)c1ccccc1\n\n\n","OC(c1ccccc1)C(N)C","OC(c1ccccc1)C(N)C","",1,"2-amino-1-phenyl-propan-1-ol(1)","492-39-7(1)","1882","Medium Reliability","Stereochemistry removed"]
[4117,"NC(=O)OC1(CCCCC1)C#C\nNC(O)=O.OC1(CCCCC1)C#C\n\n","C#CC1(CCCCC1)OC(=O)N","O=C(OC1(C#C)(CCCCC1))N","",1,"cyclohexanol,1-ethynyl-,carbamate(1)","126-52-3(1)","1460","High Reliability","Name verified in PubChem"]
[4118,"OC(C(O)C(O)=O)C(O)=O.CNCC(O)c1ccc(O)c(O)c1\nCNCC(O)c1ccc(O)c(O)c1\n\n","CNCC(c1ccc(c(c1)O)O)O","Oc1ccc(cc1(O))C(O)CNC","",2,"ADRENALINE TARTRATE (1:1)(1), EPINEPHRINE(1)","51-42-3(1), 51-43-4(1)","46, 47","Medium Reliability, High Reliability","Stereochemistry removed"]
[4119,"NS(=O)(=O)c1ccc(SCCCO)cc1\n\n\n","OCCCSc1ccc(cc1)S(=O)(=O)N","O=S(=O)(N)c1ccc(cc1)SCCCO","",1,"BENZENESULFONAMIDE, 4-[(3-HYDROXYPROPYL)THIO]-(1)","108966-51-4(1)","5536","Medium Reliability"]
[4120,"Cc1cc(C)c(c(C)c1)P(O)=O\n\n\n","Cc1cc(C)cc(c1P(=O)O)C","O=P(O)c1c(cc(cc1C)C)C","",1,"phosphinic acid, mesityl-(1)","6781-97-1(1)","3780","Medium Reliability"]
[4121,"COc1coc(CSP(=O)(OC)OC)cc1=O\n\n\n","COc1coc(cc1=O)CSP(=O)(OC)OC","O=C1C=C(OC=C1(OC))CSP(=O)(OC)OC","",1,"ENDOTHION(1)","2778-04-3(1)","3285","High Reliability"]
[4122,"CC(C)Nc1nc(Cl)nc(NC2CC2)n1\nCCSC(=O)N(CC)CC.CC(C)Nc1nc(Cl)nc(NC2CC2)n1\n\n","CC(Nc1nc(NC2CC2)nc(n1)Cl)C","n1c(nc(nc1NC2CC2)Cl)NC(C)C","",1,"CYPRAZINE(1)","22936-86-3(1)","4332","High Reliability","Differences in counterions"]
[4123,"CCNc1nc(NCC(=O)OCC)nc(Cl)n1\n\n\n","CCOC(=O)CNc1nc(Cl)nc(n1)NCC","O=C(OCC)CNc1nc(nc(n1)Cl)NCC","",1,"eglinazineethyl(1)","6616-80-4(1)","3768","Medium Reliability","Name verified in PubChem"]
[4124,"CCC1(C(C)C)C(=O)NC(=O)NC1=O\n\n\n","CCC1(C(C)C)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC)C(C)C","",1,"PROBARBITAL(1)","76-76-6(1)","403","High Reliability"]
[4125,"CCC1(CC)C(=O)NC(=O)N(C)C1=O\n\n\n","CCC1(CC)C(=O)NC(=O)N(C1=O)C","O=C1NC(=O)C(C(=O)N1C)(CC)CC","",1,"METHARBITAL(1)","50-11-3(1)","6","High Reliability"]
[4126,"CC1=CC(=O)CC(C)(C)C1\n\n\n","CC1=CC(=O)CC(C1)(C)C","O=C1C=C(C)CC(C)(C)C1","",1,"ISOPHORONE(1)","78-59-1(1)","440","High Reliability"]
[4127,"CC1=C(CCC1(C)C)C(O)=O\n\n\n","OC(=O)C1=C(C)C(CC1)(C)C","O=C(O)C1=C(C)C(C)(C)CC1","",1,"1-Cyclopentene-1-carboxylic acid, 2,3,3-trimethy(1)","5587-63-3(1)","3634","Medium Reliability"]
[4128,"CC(=O)OCC(COC(C)=O)OC(C)=O\n\n\n","CC(=O)OC(COC(=O)C)COC(=O)C","O=C(OCC(OC(=O)C)COC(=O)C)C","",1,"TRIACETIN(1)","102-76-1(1)","923","High Reliability"]
[4129,"CC(C)(C(O)=O)C(C)(CC(O)=O)C(O)=O\n\n\n","OC(=O)CC(C(C(=O)O)(C)C)(C(=O)O)C","O=C(O)CC(C(=O)O)(C)C(C(=O)O)(C)C","",1,"1,2,3-Butanetricarboxylic acid, 2,3-dimethyl-(1)","508-34-9(1)","1942","Medium Reliability"]
[4130,"BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr\n\n\n","BrCC(COP(=O)(OCC(CBr)Br)OCC(CBr)Br)Br","O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br","",1,"TRIS(2,3-DIBROMOPROPYL) PHOSPHATE(1)","126-72-7(1)","1462","High Reliability"]
[4131,"ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl\n\n\n","ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl","O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl","",1,"TRIS(1,3-DICHLOROISOPROPYL) PHOSPHATE(1)","13674-87-8(1)","3995","Medium Reliability"]
[4132,"ClCCC(Cl)OP(=O)(OC(Cl)CCCl)OC(Cl)CCCl\n\n\n","ClCCC(OP(=O)(OC(CCCl)Cl)OC(CCCl)Cl)Cl","O=P(OC(CCCl)Cl)(OC(CCCl)Cl)OC(CCCl)Cl","",1,"TRIS(1,3-DICHLOROPROPYL) PHOSPHATE(1)","40120-74-9(1)","4726","High Reliability","Checked on PubChem, Checked on ChemID"]
[4133,"C=CCN(CC=C)CC=C\n\n\n","C=CCN(CC=C)CC=C","C=CCN(CC=C)CC=C","",1,"TRIALLYLAMINE(1)","102-70-5(1)","921","High Reliability"]
[4134,"CCc1nc(CC)c(C)c(N)n1\n\n\n","CCc1nc(CC)c(c(n1)N)C","n1c(N)c(c(nc1CC)CC)C","",1,"4-Pyrimidinamine, 2,6-diethyl-5-methyl-(1)","2635-56-5(1)","3263","High Reliability"]
[4135,"CCOc1nc(OCC)nc(OCC)n1\n\n\n","CCOc1nc(OCC)nc(n1)OCC","n1c(nc(nc1OCC)OCC)OCC","",1,"2,4,6-TRIETHOXY-S-TRIAZINE(1)","884-43-5(1)","2730","Medium Reliability"]
[4136,"Nc1cc(nc(N)[n+]1[O-])N2CCCCC2\nNc1cc(nc(=N)n1O)N2CCCCC2\n\n","Nc1cc(nc([n+]1[O-])N)N1CCCCC1","[O-][n+]1c(nc(cc1(N))N2CCCCC2)N","",1,"MINOXIDIL(1)","38304-91-5(1)","4665","High Reliability"]
[4137,"CN1C2CCCC1CC(=O)C2\n\n\n","O=C1CC2CCCC(C1)N2C","O=C1CC2N(C)C(C1)CCC2","",1,"9-Methyl-9-azabicyclo[3.3.1]nonan-3-one(1)","552-70-5(1)","2133","High Reliability","Checked on PubChem, Checked on ChemID"]
[4138,"CCCCCN1C(=O)CCC1=O\n\n\n","CCCCCN1C(=O)CCC1=O","O=C1N(C(=O)CC1)CCCCC","",1,"2,5-Pyrrolidinedione, 1-pentyl-(1)","5332-35-4(1)","3586","High Reliability"]
[4139,"CN1C2CCC1C(C(O)C2)C(O)=O\n\n\n","OC1CC2CCC(C1C(=O)O)N2C","O=C(O)C2C(O)CC1N(C)C2(CC1)","",1,"Ecgonine(1)","481-37-8(1)","1853","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[4140,"CCCCCCCC#C\n\n\n","CCCCCCCC#C","C#CCCCCCCC","",1,"1-NONYNE(1)","3452-09-3(1)","3385","High Reliability"]
[4141,"CCNc1nc(Cl)nc(n1)N(CC)CC\n\n\n","CCNc1nc(Cl)nc(n1)N(CC)CC","n1c(nc(nc1N(CC)CC)Cl)NCC","",1,"TRIETAZINE(1)","1912-26-1(1)","3021","High Reliability"]
[4142,"CC(C)Nc1nc(NC(C)C)nc(Cl)n1\n\n\n","CC(Nc1nc(NC(C)C)nc(n1)Cl)C","n1c(nc(nc1NC(C)C)Cl)NC(C)C","",1,"PROPAZINE(1)","139-40-2(1)","1545","High Reliability"]
[4143,"CCNc1nc(NC(C)(C)C)nc(Cl)n1\n\n\n","CCNc1nc(Cl)nc(n1)NC(C)(C)C","n1c(nc(nc1NC(C)(C)C)Cl)NCC","",1,"TERBUTHYLAZINE(1)","5915-41-3(1)","3677","High Reliability"]
[4144,"CCCCC(=CC)C(O)=NC(O)=N\nCCCCC(=CC)C(=O)NC(N)=O\n\n","CC=C(C(=NC(=N)O)O)CCCC","N=C(O)N=C(O)C(=CC)CCCC","",1,"Hexanamide, N-(aminocarbonyl)-2-ethylidene-(1)","102613-33-2(1)","5475","High Reliability","Stereochemistry removed"]
[4145,"CC(C)C(CC=C)C(=O)NC(N)=O\n\n\n","C=CCC(C(=O)NC(=O)N)C(C)C","O=C(N)NC(=O)C(CC=C)C(C)C","",1,"N-(aminocarbonyl)-2-(1-methylethyl)4-pentenamide(1)","528-92-7(1)","2010","High Reliability","Checked on PubChem, Checked on ChemID"]
[4146,"CC(C)C1CCC(=NO)C(C1)=NO\n\n\n","ON=C1CC(CCC1=NO)C(C)C","ON=C1C(=NO)CC(CC1)C(C)C","",1,"1,2-Cyclohexanedione, 4-isopropyl-, dioxime(1)","18310-20-8(1)","4193","Medium Reliability"]
[4147,"CCSc1nnc(c(=O)n1N)C(C)(C)C\n\n\n","CCSc1nnc(c(=O)n1N)C(C)(C)C","O=C1C(=NN=C(N1(N))SCC)C(C)(C)C","",1,"Ethiozin(1)","64529-56-2(1)","5038","High Reliability"]
[4148,"CNC(=O)N(C)c1nnc(s1)C(C)(C)C\n\n\n","CNC(=O)N(c1nnc(s1)C(C)(C)C)C","O=C(NC)N(c1nnc(C(C)(C)C)s1)C","",1,"TEBUTHIURON(1)","34014-18-1(1)","4576","High Reliability"]
[4149,"CC1CCC2(CCC(C)O2)O1\n\n\n","CC1CCC2(O1)CCC(O2)C","O1C(C)CCC12(OC(C)CC2)","",1,"1,6-DIOXASPIRO[4,4]NONANE, 2,7-DIMETHYL-(1)","30483-86-4(1)","4506","Medium Reliability","Checked on PubChem"]
[4150,"OC(=O)CCCCCCCC=O\n\n\n","O=CCCCCCCCC(=O)O","O=CCCCCCCCC(=O)O","",1,"Nonanoic acid, 9-oxo-(1)","2553-17-5(1)","3236","High Reliability"]
[4151,"CCCCCCC(C(O)=O)C(O)=O\n\n\n","CCCCCCC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)CCCCCC","",1,"Propanedioic acid, hexyl-(1)","3974-36-5(1)","3452","Medium Reliability"]
[4152,"CCOC(=O)CCCC(=O)OCC\n\n\n","CCOC(=O)CCCC(=O)OCC","O=C(OCC)CCCC(=O)OCC","",1,"DIETHYL GLUTARATE(1)","818-38-2(1)","2695","High Reliability"]
[4153,"CCCCC(CC)(C(O)=O)C(O)=O\n\n\n","CCCCC(C(=O)O)(C(=O)O)CC","O=C(O)C(C(=O)O)(CC)CCCC","",1,"Propanedioic acid, butylethyl-(1)","2085-15-6(1)","3093","Medium Reliability","Checked on PubChem"]
[4154,"CCC(CC(CC)C(O)=O)C(O)=O\n\n\n","CCC(C(=O)O)CC(C(=O)O)CC","O=C(O)C(CC)CC(C(=O)O)CC","",1,"Pentanedioic acid, 2,4-diethyl-(1)","27899-21-4(1)","4454","Medium Reliability"]
[4155,"CCCCOC(=O)C(C)OC(C)=O\n\n\n","CCCCOC(=O)C(OC(=O)C)C","O=C(OC(C(=O)OCCCC)C)C","",1,"2-acetoxy-propionic acid butyl ester(1)","5422-69-5(1)","3605","Medium Reliability"]
[4156,"CC(C(O)=O)C(C)(C)CCC(O)=O\n\n\n","OC(=O)CCC(C(C(=O)O)C)(C)C","O=C(O)CCC(C)(C)C(C(=O)O)C","",1,"Hexanedioic acid, 2,3,3-trimethyl-(1)","920-79-6(1)","2741","Medium Reliability"]
[4157,"OC(=O)CCCCCCCC(O)=O\n\n\n","OC(=O)CCCCCCCC(=O)O","O=C(O)CCCCCCCC(=O)O","",1,"NONANEDIOC ACID(1)","123-99-9(1)","1434","Medium Reliability"]
[4158,"CCOP(=S)(OCC)Oc1nn(C(C)C)c(Cl)n1\n\n\n","CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC","n1c(nn(c1Cl)C(C)C)OP(OCC)(OCC)=S","",1,"ISAZOFOS(1)","42509-80-8(1)","4760","High Reliability"]
[4159,"CCCCCCCCC#N\n\n\n","CCCCCCCCC#N","N#CCCCCCCCC","",1,"NONANONITRILE(1)","2243-27-8(1)","3143","High Reliability"]
[4160,"C1CCC2NCCCC2C1\n\n\n","C1CCC2C(C1)NCCC2","N1CCCC2CCCCC12","",1,"Quinoline, decahydro-(1)","767-92-0(1)","2684","High Reliability","Stereochemistry removed"]
[4161,"CC(C)Nc1nc(=O)nc(NC(C)C)[nH]1\nCC(C)Nc1nc(O)nc(NC(C)C)n1\n\n","CC(Nc1[nH]c(NC(C)C)nc(=O)n1)C","O=C1N=C(NC(=N1)NC(C)C)NC(C)C","",1,"4,6-BIS(ISOPROPYLAMINO)-S-TRIAZIN-2-OL(1)","7374-53-0(1)","3834","Medium Reliability"]
[4162,"CCNc1nc(NC(C)C)nc(OC)n1\n\n\n","CCNc1nc(NC(C)C)nc(n1)OC","n1c(nc(nc1NCC)NC(C)C)OC","",1,"ATRATONE(1)","1610-17-9(1)","2942","High Reliability"]
[4163,"CCNc1nc(SC)nc(NC(C)C)n1\n\n\n","CCNc1nc(NC(C)C)nc(n1)SC","n1c(nc(nc1NC(C)C)SC)NCC","",1,"AMETRYNE(1)","834-12-8(1)","2711","High Reliability"]
[4164,"OC1=NCCCCCCCC1\nO=C1CCCCCCCCN1\n\n","OC1=NCCCCCCCC1","OC1=NCCCCCCCC1","",1,"2(1H)-Azecinone, octahydro-(1)","6142-53-6(1)","3706","Medium Reliability"]
[4165,"CC(C)(CO)C(O)C(=O)NCCC(O)=O\n\n\n","OCC(C(C(=O)NCCC(=O)O)O)(C)C","O=C(O)CCNC(=O)C(O)C(C)(C)CO","",1,"D-PANTOTHENIC ACID(1)","79-83-4(1)","481","High Reliability","Stereochemistry removed"]
[4166,"CCOC(O)=NC(C=O)C(O)C(O)C(O)CO\nCCOC(=O)NC(C=O)C(O)C(O)C(O)CO\n\n","CCOC(=NC(C(C(C(CO)O)O)O)C=O)O","O=CC(N=C(O)OCC)C(O)C(O)C(O)CO","",1,"D-Glucose, 2-deoxy-2-[(ethoxycarbonyl)amino]-(1)","686-14-6(1)","2632","Medium Reliability","Stereochemistry removed"]
[4167,"CCSC(=O)N1CCCCCC1\n\n\n","CCSC(=O)N1CCCCCC1","O=C(N1CCCCCC1)SCC","",1,"MOLINATE(1)","2212-67-1(1)","3128","High Reliability"]
[4168,"CC1CCCC(C)(C)C1\n\n\n","CC1CCCC(C1)(C)C","CC1CCCC(C)(C)C1","",1,"1,1,3-TRIMETHYLCYCLOHEXANE(1)","3073-66-3(1)","3325","High Reliability"]
[4169,"CCCCC(CC)C(=O)NC(N)=O\n\n\n","CCCCC(C(=O)NC(=O)N)CC","O=C(N)NC(=O)C(CC)CCCC","",1,"Hexanamide, N-(aminocarbonyl)-2-ethyl-(1)","58850-93-4(1)","4963","High Reliability"]
[4170,"CNC(=O)ON=C(CSC)C(C)(C)C\n\n\n","CSCC(=NOC(=O)NC)C(C)(C)C","O=C(ON=C(CSC)C(C)(C)C)NC","",1,"THIOFANOX(1)","39196-18-4(1)","4705","High Reliability","Stereochemistry removed"]
[4171,"CCCC(C)(COC(N)=O)COC(N)=O\n\n\n","CCCC(COC(=O)N)(COC(=O)N)C","O=C(OCC(C)(COC(=O)N)CCC)N","",1,"MEPROBAMATE(1)","57-53-4(1)","130","High Reliability"]
[4172,"CN(C)c1nc(nc(n1)N(C)C)N(C)C\n\n\n","CN(c1nc(nc(n1)N(C)C)N(C)C)C","n1c(nc(nc1N(C)C)N(C)C)N(C)C","",1,"hexamethylmelamine(1)","645-05-6(1)","2611","Medium Reliability","Name verified in PubChem"]
[4173,"CCOP(=O)(SC(C)CC)N1CCSC1=O\n\n\n","CCOP(=O)(N1CCSC1=O)SC(CC)C","O=C1N(CCS1)P(=O)(OCC)SC(C)CC","",1,"Fosthiazate(1)","98886-44-3(1)","5433","High Reliability"]
[4174,"CCCCCCCCC=O\n\n\n","CCCCCCCCC=O","O=CCCCCCCCC","",1,"NONANAL(1)","124-19-6(1)","1443","High Reliability"]
[4175,"CCCCCCCC(C)=O\n\n\n","CCCCCCCC(=O)C","O=C(C)CCCCCCC","",1,"2-NONANONE(1)","821-55-6(1)","2701","High Reliability"]
[4176,"CCCCC(=O)CCCC\n\n\n","CCCCC(=O)CCCC","O=C(CCCC)CCCC","",1,"5-NONANONE(1)","502-56-7(1)","1922","High Reliability"]
[4177,"CC(C)CC(=O)CC(C)C\n\n\n","CC(CC(=O)CC(C)C)C","O=C(CC(C)C)CC(C)C","",1,"2,6-DIMETHYL-4-HEPTANONE(1)","108-83-8(1)","1103","High Reliability"]
[4178,"CCCCCCCCC(O)=O\n\n\n","CCCCCCCCC(=O)O","O=C(O)CCCCCCCC","",1,"NONANOIC ACID(1)","112-05-0(1)","1241","High Reliability"]
[4179,"CCCCCCCC(=O)OC\n\n\n","CCCCCCCC(=O)OC","O=C(OC)CCCCCCC","",1,"METHYL OCTANOATE(1)","111-11-5(1)","1203","High Reliability"]
[4180,"CCCCCCC(=O)OCC\n\n\n","CCCCCCC(=O)OCC","O=C(OCC)CCCCCC","",1,"ETHYL HEPTANOATE(1)","106-30-9(1)","988","High Reliability"]
[4181,"CCCCCOC(=O)CCC\n\n\n","CCCCCOC(=O)CCC","O=C(OCCCCC)CCC","",1,"PENTYL BUTYRATE(1)","540-18-1(1)","2063","High Reliability"]
[4182,"CCCCCCOC(=O)C(C)O\n\n\n","CCCCCCOC(=O)C(O)C","O=C(OCCCCCC)C(O)C","",1,"Propanoic acid, 2-hydroxy-, hexyl ester(1)","20279-51-0(1)","4253","High Reliability","Checked on PubChem, Checked on ChemID"]
[4183,"CCCCOC(=O)CCOCC\n\n\n","CCCCOC(=O)CCOCC","O=C(OCCCC)CCOCC","",1,"Propanoic acid, 3-ethoxy-, butyl ester(1)","14144-35-5(1)","4011","High Reliability"]
[4184,"CCCOCCC(=O)OCCC\n\n\n","CCCOCCC(=O)OCCC","O=C(OCCC)CCOCCC","",1,"Propanoic acid, 3-propoxy-, propyl ester(1)","14144-41-3(1)","4015","High Reliability"]
[4185,"CCCCCCC(O)C(O)C(O)=O\n\n\n","CCCCCCC(C(C(=O)O)O)O","O=C(O)C(O)C(O)CCCCCC","",1,"Nonanoic acid, 2,3-dihydroxy-(1)","90677-53-5(1)","5354","Medium Reliability"]
[4186,"CCC(CCC(C)C)C(N)=O\n\n\n","CCC(C(=O)N)CCC(C)C","O=C(N)C(CC)CCC(C)C","",1,"Hexanamide, 2-ethyl-5-methyl-(1)","102450-10-2(1)","5474","High Reliability","Checked on PubChem, Checked on ChemID"]
[4187,"CCN(CC)C(=O)CC(C)C\nCC[N-]CCC(=O)CC(C)C\n\n","CCN(C(=O)CC(C)C)CC","O=C(N(CC)CC)CC(C)C","",1,"isovaleryldiethylamide(1)","533-32-4(1)","2026","High Reliability","Name verified in PubChem"]
[4188,"CCCCCCN=C(O)C(C)O\nCCCCCCNC(=O)C(C)O\n\n","CCCCCCN=C(C(O)C)O","OC(=NCCCCCC)C(O)C","",1,"N-hexyl-lactamide(1)","5422-39-9(1)","3604","High Reliability"]
[4189,"CC(C)(CO)C(O)C(=O)NCCCO\n\n\n","OCCCNC(=O)C(C(CO)(C)C)O","O=C(NCCCO)C(O)C(C)(C)CO","",1,"Dexpanthenol(1)","81-13-0(1)","504","High Reliability","Stereochemistry removed"]
[4190,"CCCN(CCC)C(=O)SCC\n\n\n","CCCN(C(=O)SCC)CCC","O=C(N(CCC)CCC)SCC","",1,"EPTAM (EPTC)(1)","759-94-4(1)","2671","Medium Reliability"]
[4191,"CCCCCCCCC\n\n\n","CCCCCCCCC","CCCCCCCCC","",1,"N-NONANE(1)","111-84-2(1)","1233","High Reliability"]
[4192,"CCCCC(C)CCC\n\n\n","CCCCC(CCC)C","CCCCC(C)CCC","",1,"4-METHYLOCTANE(1)","2216-34-4(1)","3130","High Reliability"]
[4193,"CC(C)CCC(C)(C)C\n\n\n","CC(CCC(C)(C)C)C","CC(C)CCC(C)(C)C","",1,"2,2,5-TRIMETHYLHEXANE(1)","3522-94-9(1)","3391","High Reliability"]
[4194,"CCN(CC)C(=O)N(CC)CC\n\n\n","CCN(C(=O)N(CC)CC)CC","O=C(N(CC)CC)N(CC)CC","",1,"UREA, TETRAETHYL-(1)","1187-03-7(1)","2862","High Reliability"]
[4195,"CCCOC(=O)NCCCN(C)C\n[Cl-].CCCOC(=O)NCCC[NH+](C)C\n\n","CCCOC(=O)NCCCN(C)C","O=C(OCCC)NCCCN(C)C","",1,"Propamocarb(1)","24579-73-5(1)","4362","High Reliability","Differences in counterions"]
[4196,"CCOP(=S)(OCC)SCC(=O)NC(C)C\n\n\n","CCOP(=S)(SCC(=O)NC(C)C)OCC","O=C(NC(C)C)CSP(OCC)(OCC)=S","",1,"PROTHOATE(1)","2275-18-5(1)","3153","High Reliability"]
[4197,"CCCCCCCCCO\n\n\n","CCCCCCCCCO","OCCCCCCCCC","",1,"1-NONANOL(1)","143-08-8(1)","1593","High Reliability"]
[4198,"CCCCCCCC(C)O\n\n\n","CCCCCCCC(O)C","OC(C)CCCCCCC","",1,"2-NONANOL(1)","628-99-9(1)","2561","High Reliability"]
[4199,"CCCCCCC(O)CC\n\n\n","CCCCCCC(CC)O","OC(CC)CCCCCC","",1,"3-NONANOL(1)","624-51-1(1)","2506","High Reliability"]
[4200,"CCCCCC(O)CCC\n\n\n","CCCCCC(CCC)O","OC(CCC)CCCCC","",1,"4-NONANOL(1)","5932-79-6(1)","3679","High Reliability"]
[4201,"CCCCC(O)CCCC\n\n\n","CCCCC(CCCC)O","OC(CCCC)CCCC","",1,"5-NONANOL(1)","623-93-8(1)","2500","High Reliability"]
[4202,"CCCC(CC)(CC)CO\n\n\n","CCCC(CO)(CC)CC","OCC(CC)(CC)CCC","",1,"2,2-DIETHYL-1-PENTANOL(1)","14202-62-1(1)","4019","High Reliability"]
[4203,"CCC(C)C(O)C(C)CC\n\n\n","CCC(C(C(CC)C)O)C","OC(C(C)CC)C(C)CC","",1,"3,5-DIMETHYL-4-HEPTANOL(1)","19549-79-2(1)","4229","High Reliability","Checked on PubChem, Checked on ChemID"]
[4204,"CC(C)CC(O)CC(C)C\n\n\n","OC(CC(C)C)CC(C)C","OC(CC(C)C)CC(C)C","",1,"2,6-DIMETHYL-4-HEPTANOL(1)","108-82-7(1)","1102","High Reliability"]
[4205,"CC(C)CCCCCCO\n\n\n","OCCCCCCC(C)C","OCCCCCCC(C)C","",1,"7-METHYL-1-OCTANOL(1)","2430-22-0(1)","3202","High Reliability"]
[4206,"CCCOCC(O)COCCC\n\n\n","CCCOCC(COCCC)O","OC(COCCC)COCCC","",1,"2-Propanol, 1,3-dipropoxy-(1)","43015-17-4(1)","4769","Medium Reliability"]
[4207,"CCCOCC(C)OCC(C)O\n\n\n","CCCOCC(OCC(O)C)C","OC(C)COC(C)COCCC","",1,"2-Propanol, 1-(1-methyl-2-propoxyethoxy)-(1)","29911-27-1(1)","4493","High Reliability"]
[4208,"CC(C)OCC(O)COC(C)C\n\n\n","OC(COC(C)C)COC(C)C","OC(COC(C)C)COC(C)C","",1,"O1,O3-Diisopropyl-glycerol(1)","13021-54-0(1)","3946","Medium Reliability"]
[4209,"CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC\n\n\n","CCC(S(=O)(=O)CC)(S(=O)(=O)CC)CC","O=S(=O)(CC)C(CC)(CC)S(=O)(=O)CC","",1,"Pentane, 3,3-bis(ethylsulfonyl)-(1)","2217-59-6(1)","3136","High Reliability"]
[4210,"CCCN(CCC)CCC\n\n\n","CCCN(CCC)CCC","N(CCC)(CCC)CCC","",1,"TRIPROPYLAMINE(1)","102-69-2(1)","920","High Reliability"]
[4211,"CC(O)CN(CC(C)O)CC(C)O\n\n\n","CC(CN(CC(O)C)CC(O)C)O","OC(C)CN(CC(O)C)CC(O)C","",1,"2-Propanol, 1,1',1''-nitrilotris-(1)","122-20-3(1)","1389","High Reliability"]
[4212,"CCOP(=S)(OCC)SCSC(C)(C)C\n\n\n","CCOP(=S)(SCSC(C)(C)C)OCC","O(CC)P(OCC)(=S)SCSC(C)(C)C","",1,"TERBUFOS(1)","13071-79-9(1)","3951","High Reliability"]
[4213,"CCCCOP(C)(=O)OCCCC\n\n\n","CCCCOP(=O)(OCCCC)C","O=P(OCCCC)(OCCCC)C","",1,"DIBUTYL METHYLPHOSPHONATE(1)","2404-73-1(1)","3194","High Reliability"]
[4214,"CCOP(=S)(OCC)SCS(=O)C(C)(C)C\n\n\n","CCOP(=S)(SCS(=O)C(C)(C)C)OCC","O=S(CSP(OCC)(OCC)=S)C(C)(C)C","",1,"TERBUFOS SULFOXIDE(1)","10548-10-4(1)","3926","High Reliability"]
[4215,"CCS(=O)CSP(=S)(OC(C)C)OC(C)C\n\n\n","CCS(=O)CSP(=S)(OC(C)C)OC(C)C","O=S(CC)CSP(OC(C)C)(OC(C)C)=S","",1,"APHIDAN(1)","5827-05-4(1)","3668","High Reliability"]
[4216,"CCCCOP(=O)(OC)OCCCC\n\n\n","CCCCOP(=O)(OCCCC)OC","O=P(OC)(OCCCC)OCCCC","",1,"Phosphoric acid, dibutyl methyl ester(1)","7242-59-3(1)","3821","High Reliability"]
[4217,"CCCOP(=O)(OCCC)OCCC\n\n\n","CCCOP(=O)(OCCC)OCCC","O=P(OCCC)(OCCC)OCCC","",1,"TRIPROPYL PHOSPHATE(1)","513-08-6(1)","1955","High Reliability"]
[4218,"CCCCCOP(=O)(OCC)OCC\n\n\n","CCCCCOP(=O)(OCC)OCC","O=P(OCC)(OCC)OCCCCC","",1,"DIETHYL PENTYL PHOSPHATE(1)","20195-08-8(1)","4251","High Reliability"]
[4219,"CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C\n\n\n","CCOP(=S)(SCS(=O)(=O)C(C)(C)C)OCC","O=S(=O)(CSP(OCC)(OCC)=S)C(C)(C)C","",1,"TERBUFOS SULFONE(1)","56070-16-7(1)","4927","High Reliability"]
[4220,"CCN(CC)CN(CC)CC\n\n\n","CCN(CN(CC)CC)CC","N(CN(CC)CC)(CC)CC","",1,"Methanediamine, N,N,N',N'-tetraethyl-(1)","102-53-4(1)","917","High Reliability"]
[4221,"CCOP(=S)(OCC)SCSP(=S)(OCC)OCC\n\n\n","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC","O(CC)P(OCC)(=S)SCSP(OCC)(OCC)=S","",1,"ETHION(1)","563-12-2(1)","2176","High Reliability"]
[4222,"ClC(Cl)(Cl)SN1C(=O)c2c(cccc2)C1=O\nClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O\n\n","ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl","O=C1c2ccccc2(C(=O)N1SC(Cl)(Cl)Cl)","",1,"FOLPET(1)","133-07-3(1)","1510","High Reliability"]
[4223,"OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl\n\n\n","OC(=O)C1C(C(=O)O)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl","O=C(O)C1C(C(=O)O)C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl","",1,"CHLORENDIC ACID(1)","115-28-6(1)","1279","High Reliability"]
[4224,"Oc1c2ncccc2c(Br)cc1Br\n\n\n","Brc1cc(Br)c2c(c1O)nccc2","Oc2c1ncccc1c(cc2Br)Br","",1,"8-Quinolinol, 5,7-dibromo-(1)","521-74-4(1)","1983","High Reliability"]
[4225,"Brc1cc(=O)oc2ccccc12\n\n\n","O=c1cc(Br)c2c(o1)cccc2","O=C2Oc1ccccc1C(=C2)Br","",1,"2H-1-Benzopyran-2-one, 4-bromo-(1)","938-40-9(1)","2761","Medium Reliability"]
[4226,"OC(=O)c1cc(Br)cc(C(O)=O)c1C(O)=O\n\n\n","Brc1cc(C(=O)O)c(c(c1)C(=O)O)C(=O)O","O=C(O)c1cc(cc(C(=O)O)c1(C(=O)O))Br","",1,"1,2,3-Benzenetricarboxylic acid, 5-bromo-(1)","34163-34-3(1)","4580","Medium Reliability"]
[4227,"Clc1ccccc1Nc2nc(Cl)nc(Cl)n2\n\n\n","Clc1nc(nc(n1)Cl)Nc1ccccc1Cl","n1c(nc(nc1Cl)Cl)Nc2ccccc2Cl","",1,"ANILAZINE(1)","101-05-3(1)","903","Medium Reliability"]
[4228,"O=C1OCc2c1cc(cc2)C#N\nO=C1OCc2ccc(cc12)C#N\n\n","N#Cc1ccc2c(c1)C(=O)OC2","N#Cc1ccc2c(c1)C(=O)OC2","",1,"5-Isobenzofurancarbonitrile, 1,3-dihydro-3-oxo-(1)","89877-62-3(1)","5343","Medium Reliability"]
[4229,"[O-][N+](=O)c1cc2c(oc(=O)cc2)cc1\n[O-][N+](=O)c1ccc2oc(=O)ccc2c1\n\n","O=c1ccc2c(o1)ccc(c2)[N+](=O)[O-]","O=C1Oc2ccc(cc2(C=C1))[N+](=O)[O-]","",1,"2H-1-Benzopyran-2-one, 6-nitro-(1)","2725-81-7(1)","3278","High Reliability"]
[4230,"Cn1c(=O)on(c1=O)-c2ccc(Cl)c(Cl)c2\n\n\n","Clc1ccc(cc1Cl)n1oc(=O)n(c1=O)C","O=C1ON(C(=O)N1C)c2ccc(c(c2)Cl)Cl","",1,"METHAZOLE(1)","20354-26-1(1)","4258","High Reliability"]
[4231,"ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl\n\n\n","O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","",3,"ENDOSULFAN(1), A-ENDOSULFAN(1), Endosulfan (beta)(1)","115-29-7(1), 959-98-8(1), 33213-65-9(1)","1280, 2776, 4558","Medium Reliability","Stereochemistry removed"]
[4232,"ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl\n\n\n","ClC1=C(Cl)C2(C(C1(Cl)C1C2COS(=O)(=O)OC1)(Cl)Cl)Cl","O=S1(=O)(OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)","",1,"ENDOSULFAN SULFATE(1)","1031-07-8(1)","2802","High Reliability"]
[4233,"Oc1ccc(Cl)c2cccnc12\n\n\n","Clc1ccc(c2c1cccn2)O","Oc1ccc(c2cccnc12)Cl","",1,"8-quinolinol,5-chloro-(1)","130-16-5(1)","1494","Medium Reliability","Name verified in PubChem"]
[4234,"OC(=O)Cn1c(=O)sc2cccc(Cl)c12\n\n\n","OC(=O)Cn1c(=O)sc2c1c(Cl)ccc2","O=C(O)CN2C(=O)Sc1cccc(c12)Cl","",1,"BENAZOLIN(1)","3813-05-6(1)","3436","High Reliability"]
[4235,"N#CSCSc1nc2ccccc2s1\n\n\n","N#CSCSc1nc2c(s1)cccc2","N#CSCSc2nc1ccccc1s2","",1,"2-(THIOCYANATEMETHYLTHIO)BENZOTHIAZOLE(1)","21564-17-0(1)","4296","Medium Reliability"]
[4236,"O=c1oc2c(cccc2)cc1\nO=c1oc2ccccc2cc1\n\n","O=c1ccc2c(o1)cccc2","O=C1Oc2ccccc2(C=C1)","",1,"COUMARIN(1)","91-64-5(1)","673","High Reliability"]
[4237,"OC(=O)C(=O)c1ccccc1C(O)=O\n\n\n","OC(=O)C(=O)c1ccccc1C(=O)O","O=C(O)C(=O)c1ccccc1(C(=O)O)","",1,"PHTHALONIC ACID(1)","528-46-1(1)","2008","High Reliability"]
[4238,"OC(=O)c1cc(C(O)=O)c(cc1)C(O)=O\nOC(=O)c1ccc(C(O)=O)c(c1)C(O)=O\n\n","OC(=O)c1cc(ccc1C(=O)O)C(=O)O","O=C(O)c1ccc(C(=O)O)c(c1)C(=O)O","",1,"TRIMELLITIC ACID(1)","528-44-9(1)","2006","High Reliability"]
[4239,"OC(=O)c1cc(cc(c1)C(O)=O)C(O)=O\n\n\n","OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O","O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O","",1,"1,3,5-BENZENETRICARBOXYLIC ACID(1)","554-95-0(1)","2144","High Reliability"]
[4240,"OC(=O)c1cccc(C(O)=O)c1C(O)=O\n\n\n","OC(=O)c1c(cccc1C(=O)O)C(=O)O","O=C(O)c1cccc(C(=O)O)c1(C(=O)O)","",1,"HEMIMELLITIC ACID(1)","569-51-7(1)","2201","Medium Reliability"]
[4241,"OC(=O)c1cc2c(OCO2)cc1C(O)=O\n\n\n","OC(=O)c1cc2OCOc2cc1C(=O)O","O=C(O)c1cc2OCOc2(cc1(C(=O)O))","",1,"1,3-Benzodioxole-5,6-dicarboxylic acid(1)","490-26-6(1)","1873","Medium Reliability"]
[4242,"OC(=O)c1cc(C(O)=O)c(O)c(c1)C(O)=O\n\n\n","OC(=O)c1cc(C(=O)O)c(c(c1)C(=O)O)O","O=C(O)c1cc(C(=O)O)c(O)c(c1)C(=O)O","",1,"1,3,5-Benzenetricarboxylic acid, 2-hydroxy-(1)","609-98-3(1)","2404","Medium Reliability"]
[4243,"OC(=O)C=Cc1cc(Br)ccc1\n\n\n","OC(=O)C=Cc1cccc(c1)Br","O=C(O)C=Cc1cccc(c1)Br","",1,"M-BROMOCINNAMIC ACID(1)","32862-97-8(1)","4552","High Reliability","Stereochemistry removed"]
[4244,"CC(Oc1c(Cl)cc(Cl)c(Cl)c1)C(O)=O\n\n\n","CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl","O=C(O)C(Oc1cc(c(cc1Cl)Cl)Cl)C","",1,"SILVEX(1)","93-72-1(1)","709","High Reliability"]
[4245,"Clc1c(Cl)cc(NC(NC=O)C(Cl)(Cl)Cl)cc1\n\n\n","O=CNC(C(Cl)(Cl)Cl)Nc1ccc(c(c1)Cl)Cl","O=CNC(Nc1ccc(c(c1)Cl)Cl)C(Cl)(Cl)Cl","",1,"Chloraniformethane(1)","20856-57-9(1)","4282","High Reliability"]
[4246,"Clc1ccc(NC(=O)CC#N)cc1\n\n\n","N#CCC(=O)Nc1ccc(cc1)Cl","N#CCC(=O)Nc1ccc(cc1)Cl","",1,"Acetamide, N-(4-chlorophenyl)-2-cyano-(1)","17722-17-7(1)","4169","High Reliability"]
[4247,"Clc1cccc(NC(=O)CC#N)c1\n\n\n","N#CCC(=O)Nc1cccc(c1)Cl","N#CCC(=O)Nc1cccc(c1)Cl","",1,"Acetamide, N-(3-chlorophenyl)-2-cyano-(1)","17722-12-2(1)","4168","High Reliability"]
[4248,"Clc1ccccc1NC(=O)CC#N\n\n\n","N#CCC(=O)Nc1ccccc1Cl","N#CCC(=O)Nc1ccccc1Cl","",1,"Acetamide, N-(2-chlorophenyl)-2-cyano-(1)","50982-66-6(1)","4793","High Reliability"]
[4249,"c1cc2c(cc1)cncc2\nc1ccc2cnccc2c1\n\n","c1ccc2c(c1)cncc2","n1ccc2ccccc2(c1)","",1,"ISOQUINOLINE(1)","119-65-3(1)","1344","High Reliability"]
[4250,"c1cc2c(cc1)nccc2\nc1ccc2ncccc2c1\n\n","c1ccc2c(c1)nccc2","n1cccc2ccccc12","",1,"QUINOLINE(1)","91-22-5(1)","668","High Reliability"]
[4251,"ON=C1C=CC(=NO)c2c1cccn2\nON=C1C=CC(=NO)c2ncccc12\n\n","ON=C1C=CC(=NO)c2c1nccc2","ON=C1C=CC(=NO)c2cccnc12","",1,"5,8-Quinolinedione, dioxime(1)","82153-77-3(1)","5275","Medium Reliability"]
[4252,"Cc1c2n3cnnc3sc2ccc1\n\n\n","Cc1cccc2c1n1cnnc1s2","n1nc3n(c1)c2c(cccc2s3)C","",1,"TRICYCLAZOLE(1)","41814-78-2(1)","4754","High Reliability"]
[4253,"Oc1cc2c(cc1)nccc2\nOc1ccc2ncccc2c1\n\n","Oc1ccc2c(c1)cccn2","Oc1ccc2ncccc2(c1)","",1,"6-HDROXYQUINOLINE(1)","580-16-5(1)","2225","Medium Reliability"]
[4254,"Oc1ccc2cccnc2c1\n[O-]c1ccc2ccc[nH+]c2c1\n\n","Oc1ccc2c(c1)nccc2","Oc1ccc2cccnc2(c1)","",1,"7-QUINOLINOL(1)","580-20-1(1)","2227","High Reliability"]
[4255,"Oc1cccc2cccnc12\n\n\n","Oc1cccc2c1nccc2","Oc1cccc2cccnc12","",1,"8-QUINOLINOL(1)","148-24-3(1)","1614","High Reliability"]
[4256,"Oc1cc2ccccc2nc1\nOc1cnc2ccccc2c1\n\n","Oc1cnc2c(c1)cccc2","Oc1cnc2ccccc2(c1)","",1,"3-QUINOLINOL(1)","580-18-7(1)","2226","High Reliability"]
[4257,"Oc1cccc2ncccc12\n[O-]c1cccc2[nH+]cccc12\n\n","Oc1cccc2c1cccn2","Oc1cccc2ncccc12","",1,"5-QUINOLINOL(1)","578-67-6(1)","2217","High Reliability","Checked on PubChem, Checked on ChemID"]
[4258,"O=c1cc[nH]c2ccccc12\nO=c1cc[nH]c2ccccc12\nOc1ccnc2ccccc12\n","O=c1cc[nH]c2c1cccc2","O=C1C=CNc2ccccc12","",2,"4(1H)-QUINOLINONE(1), 4-Hydroxyquinoline(1)","529-37-3(1), 611-36-9(1)","2011, 2413","Medium Reliability, High Reliability"]
[4259,"O=c1[nH]c2ccccc2cc1\n\n\n","O=c1ccc2c([nH]1)cccc2","O=C1C=Cc2ccccc2(N1)","",1,"2-(1H)-QUINOLINONE(1)","59-31-4(1)","165","Medium Reliability"]
[4260,"O=c1[nH]ccc2ccccc12\n\n\n","O=c1[nH]ccc2c1cccc2","O=C2NC=Cc1ccccc12","",1,"1(2H)-ISOQUINOLINONE(1)","491-30-5(1)","1877","High Reliability"]
[4261,"Nc1cc2c(oc(=O)cc2)cc1\nNc1ccc2oc(=O)ccc2c1\n[Cl-].[NH3+]c1ccc2oc(=O)ccc2c1\n","Nc1ccc2c(c1)ccc(=O)o2","O=C1Oc2ccc(N)cc2(C=C1)","",1,"2H-1-Benzopyran-2-one, 6-amino-(1)","14415-44-2(1)","4032","High Reliability","Differences in counterions"]
[4262,"NC(=O)C1OC(=O)c2ccccc12\n\n\n","NC(=O)C1OC(=O)c2c1cccc2","O=C1OC(C(=O)N)c2ccccc12","",1,"1-Isobenzofurancarboxamide, 1,3-dihydro-3-oxo-(1)","4792-32-9(1)","3538","Medium Reliability"]
[4263,"CC1OC(=O)c2c1ccc(c2)N(=O)=O\nCC1OC(=O)c2cc(ccc12)[N+]([O-])=O\n\n","O=C1OC(c2c1cc(cc2)[N+](=O)[O-])C","O=C1OC(c2ccc(cc12)[N+](=O)[O-])C","",1,"1(3H)-Isobenzofuranone, 3-methyl-6-nitro-(1)","58335-58-3(1)","4958","Medium Reliability"]
[4264,"COC(=O)c1c(cc(cc1)N(=O)=O)C(O)=O\nCOC(=O)c1ccc(cc1C([O-])=O)[N+]([O-])=O\n\n","COC(=O)c1ccc(cc1C(=O)O)[N+](=O)[O-]","O=C(O)c1cc(ccc1(C(=O)OC))[N+](=O)[O-]","",1,"Phthalic acid, 4-nitro-, 1-methyl ester(1)","90072-77-8(1)","5347","Medium Reliability"]
[4265,"COC(=O)c1c(ccc(c1)N(=O)=O)C(O)=O\nCOC(=O)c1cc(ccc1C([O-])=O)[N+]([O-])=O\n\n","COC(=O)c1cc(ccc1C(=O)O)[N+](=O)[O-]","O=C(O)c1ccc(cc1(C(=O)OC))[N+](=O)[O-]","",1,"Phthalic acid, 4-nitro-, 2-methyl ester(1)","101714-14-1(1)","5465","Medium Reliability"]
[4266,"COC(=O)COc1c(Cl)cc(Cl)cc1\nCOC(=O)COc1ccc(Cl)cc1Cl\n\n","COC(=O)COc1ccc(cc1Cl)Cl","O=C(OC)COc1ccc(cc1Cl)Cl","",1,"2,4-D, METHYL ESTER(1)","1928-38-7(1)","3032","Medium Reliability"]
[4267,"CC(Oc1c(Cl)cc(Cl)cc1)C(O)=O\nCC(Oc1ccc(Cl)cc1Cl)C(O)=O\n\n","OC(=O)C(Oc1ccc(cc1Cl)Cl)C","O=C(O)C(Oc1ccc(cc1Cl)Cl)C","",2,"DICHLORPROP(1), Propanoic acid, 2-(2,4-dichlorophenoxy)-, (R)-(1)","120-36-5(1), 15165-67-0(1)","1356, 4060","High Reliability","Stereochemistry removed"]
[4268,"ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O\n\n\n","ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl","O=C1N(C(=O)C2CC=CCC12)SC(Cl)(Cl)Cl","",1,"CAPTAN(1)","133-06-2(1)","1509","High Reliability"]
[4269,"OCC1C(CO)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl\n\n\n","OCC1C(CO)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl","OCC1C(CO)C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl","",1,"Endosulfan diol(1)","2157-19-9(1)","3107","Medium Reliability","Stereochemistry removed"]
[4270,"Cc1cnnc2c1cccc2O\nCc1cnnc2c(O)cccc12\n\n","Cc1cnnc2c1cccc2O","Oc2cccc1c2(nncc1C)","",1,"8-Cinnolinol, 4-methyl-(1)","17056-96-1(1)","4131","Medium Reliability"]
[4271,"Cc1c2cccc(O)c2ncn1\n\n\n","Oc1cccc2c1ncnc2C","Oc2cccc1c2(ncnc1C)","",1,"8-Quinazolinol, 4-methyl-(1)","99512-70-6(1)","5440","Medium Reliability"]
[4272,"O=C(CC#N)Nc1ccccc1\n\n\n","N#CCC(=O)Nc1ccccc1","N#CCC(=O)Nc1ccccc1","",1,"Acetamide, 2-cyano-N-phenyl-(1)","621-03-4(1)","2478","High Reliability"]
[4273,"Oc1cn(nc1)-c2ccccc2\n\n\n","Oc1cnn(c1)c1ccccc1","Oc1cnn(c1)c2ccccc2","",1,"1H-Pyrazol-4-ol, 1-phenyl-(1)","1076-60-4(1)","2815","Medium Reliability"]
[4274,"Cc1cc2c([nH]c(=O)c(=O)[nH]2)cc1\n\n\n","Cc1ccc2c(c1)[nH]c(=O)c(=O)[nH]2","O=C1Nc2ccc(cc2(NC1(=O)))C","",1,"2,3-Quinoxalinedione, 1,4-dihydro-6-methyl-(1)","6309-61-1(1)","3739","High Reliability"]
[4275,"OC(=N)C=Cc1ccccc1N(=O)=O\nNC(=O)C=Cc1ccccc1[N+]([O-])=O\n\n","OC(=N)C=Cc1ccccc1[N+](=O)[O-]","O=[N+]([O-])c1ccccc1(C=CC(=N)O)","",1,"2-Propenamide, 3-(2-nitrophenyl)-(1)","2001-33-4(1)","3062","Medium Reliability"]
[4276,"SC1=NCC(=O)N1c2ccccc2\nO=C1CNC(=S)N1c2ccccc2\n\n","O=C1CN=C(N1c1ccccc1)S","O=C2N(c1ccccc1)C(=NC2)S","",1,"4-Imidazolidinone, 3-phenyl-2-thioxo-(1)","2010-15-3(1)","3066","High Reliability"]
[4277,"O=C(Nc1cnns1)Nc2ccccc2\n\n\n","O=C(Nc1cnns1)Nc1ccccc1","O=C(Nc1ccccc1)Nc2cnns2","",1,"THIDIAZURON(1)","51707-55-2(1)","4819","High Reliability"]
[4278,"O=CC=Cc1ccccc1\n\n\n","O=CC=Cc1ccccc1","O=CC=Cc1ccccc1","",1,"3-PHENYL-2-PROPENAL(1)","104-55-2(1)","955","High Reliability","Stereochemistry removed"]
[4279,"CC(=O)C(=O)c1ccccc1\n\n\n","O=C(c1ccccc1)C(=O)C","O=C(c1ccccc1)C(=O)C","",1,"1,2-Propanedione, 1-phenyl-(1)","579-07-7(1)","2218","High Reliability"]
[4280,"OC(=O)C(=C)c1ccccc1\n\n\n","C=C(c1ccccc1)C(=O)O","O=C(O)C(=C)c1ccccc1","",1,"Atropic acid(1)","492-38-6(1)","1881","High Reliability"]
[4281,"O=CC(=O)Cc1ccccc1\n\n\n","O=CC(=O)Cc1ccccc1","O=CC(=O)Cc1ccccc1","",1,"Benzenepropanal, .alpha.-oxo-(1)","56485-04-2(1)","4931","Medium Reliability"]
[4282,"OC(=O)C=Cc1ccccc1\n\n\n","OC(=O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1","",2,"2-PROPENOIC ACID, 3-PHENYL-, (E)-(1), CINNAMIC ACID(1)","140-10-3(1), 621-82-9(1)","1552, 2483","High Reliability","Stereochemistry removed"]
[4283,"O=C1CCc2c(O1)cccc2\n\n\n","O=C1CCc2c(O1)cccc2","O=C2Oc1ccccc1CC2","",1,"2H-1-Benzopyran-2-one, 3,4-dihydro-(1)","119-84-6(1)","1346","High Reliability"]
[4284,"O=CCc1cc2c(OCO2)cc1\n\n\n","O=CCc1ccc2c(c1)OCO2","O=CCc1ccc2OCOc2(c1)","",1,"1,3-Benzodioxole-5-acetaldehyde(1)","6543-34-6(1)","3765","High Reliability"]
[4285,"CC(=O)c1cc(C(O)=O)c(O)cc1\nCC(=O)c1ccc(O)c(c1)C(O)=O\nCC(=O)c1ccc(O)c(c1)C([O-])=O\n","CC(=O)c1ccc(c(c1)C(=O)O)O","O=C(O)c1cc(ccc1(O))C(=O)C","",1,"Benzoic acid, 5-acetyl-2-hydroxy-(1)","13110-96-8(1)","3953","High Reliability"]
[4286,"CC(=O)Oc1c(cccc1)C(O)=O\nCC(=O)Oc1ccccc1C(O)=O\n\n","CC(=O)Oc1ccccc1C(=O)O","O=C(O)c1ccccc1(OC(=O)C)","",1,"ACETYLSALICYLIC ACID(1)","50-78-2(1)","31","High Reliability"]
[4287,"CC(=O)OOC(=O)c1ccccc1\n\n\n","O=C(c1ccccc1)OOC(=O)C","O=C(OOC(=O)C)c1ccccc1","",1,"ACETYL BENZOYL PEROXIDE(1)","644-31-5(1)","2610","High Reliability"]
[4288,"OC(=O)Cc1ccc(cc1)C(O)=O\n\n\n","OC(=O)Cc1ccc(cc1)C(=O)O","O=C(O)c1ccc(cc1)CC(=O)O","",1,"BENZENEACETIC ACID, 4-CARBOXY-(1)","501-89-3(1)","1917","High Reliability"]
[4289,"OC(=O)Cc1cc(ccc1)C(O)=O\nOC(=O)Cc1cccc(c1)C(O)=O\n\n","OC(=O)Cc1cccc(c1)C(=O)O","O=C(O)c1cccc(c1)CC(=O)O","",1,"M-CARBOXYPHENYLACETIC ACID(1)","2084-13-1(1)","3092","Medium Reliability"]
[4290,"OC(=O)Cc1c(cccc1)C(O)=O\nOC(=O)Cc1ccccc1C(O)=O\n\n","OC(=O)Cc1ccccc1C(=O)O","O=C(O)c1ccccc1CC(=O)O","",1,"Benzeneacetic acid, 2-carboxy-(1)","89-51-0(1)","631","High Reliability"]
[4291,"COc1c(cc(cc1)C(O)=O)C(O)=O\n\n\n","COc1ccc(cc1C(=O)O)C(=O)O","O=C(O)c1ccc(OC)c(c1)C(=O)O","",1,"1,3-Benzenedicarboxylic acid, 4-methoxy-(1)","2206-43-1(1)","3124","High Reliability"]
[4292,"COc1c(ccc(c1)C(O)=O)C(O)=O\n\n\n","COc1cc(ccc1C(=O)O)C(=O)O","O=C(O)c1ccc(C(=O)O)c(OC)c1","",1,"1,4-Benzenedicarboxylic acid, 2-methoxy-(1)","5156-00-3(1)","3571","High Reliability"]
[4293,"COc1c(cccc1C(O)=O)C(O)=O\n\n\n","COc1c(cccc1C(=O)O)C(=O)O","O=C(O)c1cccc(C(=O)O)c1(OC)","",1,"1,3-Benzenedicarboxylic acid, 2-methoxy-(1)","1951-38-8(1)","3045","Medium Reliability"]
[4294,"NC(Cc1cc(Br)c(O)c(Br)c1)C(O)=O\n\n\n","OC(=O)C(Cc1cc(Br)c(c(c1)Br)O)N","O=C(O)C(N)Cc1cc(c(O)c(c1)Br)Br","",1,"L-Tyrosine, 3,5-dibromo-(1)","300-38-9(1)","1702","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[4295,"CCC(=O)Nc1ccc(Cl)c(Cl)c1\n\n\n","CCC(=O)Nc1ccc(c(c1)Cl)Cl","O=C(Nc1ccc(c(c1)Cl)Cl)CC","",1,"PROPANIL(1)","709-98-8(1)","2654","High Reliability"]
[4296,"CNC(=O)OCc1cc(Cl)c(Cl)cc1\nCNC(=O)OCc1ccc(Cl)c(Cl)c1\n\n","CNC(=O)OCc1ccc(c(c1)Cl)Cl","O=C(OCc1ccc(c(c1)Cl)Cl)NC","",1,"3,4-DICHLOROBENZYL METHYLCARBAMATE(1)","1966-58-1(1)","3051","High Reliability"]
[4297,"NC(Cc1cc(Cl)c(O)c(Cl)c1)C(O)=O\n\n\n","OC(=O)C(Cc1cc(Cl)c(c(c1)Cl)O)N","O=C(O)C(N)Cc1cc(c(O)c(c1)Cl)Cl","",1,"L-Tyrosine, 3,5-dichloro-(1)","15106-62-4(1)","4054","High Reliability","Stereochemistry removed"]
[4298,"CCOC(=O)c1cc(Cl)c(O)cc1\nCCOC(=O)c1ccc(O)c(Cl)c1\n\n","CCOC(=O)c1ccc(c(c1)Cl)O","O=C(OCC)c1ccc(O)c(c1)Cl","",1,"Benzoic acid, 3-chloro-4-hydroxy-, ethyl ester(1)","16357-41-8(1)","4100","Medium Reliability"]
[4299,"CC(Oc1cc(Cl)ccc1)C(O)=O\n\n\n","OC(=O)C(Oc1cccc(c1)Cl)C","O=C(O)C(Oc1cccc(c1)Cl)C","",1,"Cloprop(1)","101-10-0(1)","904","High Reliability"]
[4300,"CC(Oc1ccc(Cl)cc1)C(O)=O\n\n\n","CC(C(=O)O)Oc1ccc(cc1)Cl","O=C(O)C(Oc1ccc(cc1)Cl)C","",1,"2-(P-CHLOROPHENOXY)PROPIONIC ACID(1)","3307-39-9(1)","3366","High Reliability"]
[4301,"CC(Oc1ccccc1Cl)C(O)=O\n\n\n","OC(=O)C(Oc1ccccc1Cl)C","O=C(O)C(Oc1ccccc1Cl)C","",1,"2-(2-Chlorophenoxy)propanoic acid(1)","76466-16-5(1)","5228","Medium Reliability"]
[4302,"Cc1c(OCC(O)=O)ccc(Cl)c1\n\n\n","OC(=O)COc1ccc(cc1C)Cl","O=C(O)COc1ccc(cc1C)Cl","",1,"2-METHYL-4-CHLOROPHENOXYACETIC ACID(1)","94-74-6(1)","729","High Reliability"]
[4303,"OCc1c(OCC(O)=O)ccc(Cl)c1\n\n\n","OCc1cc(Cl)ccc1OCC(=O)O","O=C(O)COc1ccc(cc1CO)Cl","",1,"Cloxyfonac(1)","6386-63-6(1)","3750","Medium Reliability"]
[4304,"NC(Cc1cc(I)c(O)c(I)c1)C(O)=O\n\n\n","OC(=O)C(Cc1cc(I)c(c(c1)I)O)N","O=C(O)C(N)Cc1cc(c(O)c(c1)I)I","",2,"3,5-DIIODOTYROSINE(1), 3,5-Diiodo-L-tyrosine(1)","66-02-4(1), 300-39-0(1)","241, 1703","High Reliability","Stereochemistry removed"]
[4305,"CCOC(=O)c1cc(I)c(O)cc1\nCCOC(=O)c1ccc(O)c(I)c1\n\n","CCOC(=O)c1ccc(c(c1)I)O","O=C(OCC)c1ccc(O)c(c1)I","",1,"Benzoic acid, 4-hydroxy-3-iodo-, ethyl ester(1)","15126-07-5(1)","4057","Medium Reliability"]
[4306,"Cc1c[nH]c2c1cccc2\n\n\n","Cc1c[nH]c2c1cccc2","c1ccc2c(c1)[nH]cc2C","",1,"3-METHYLINDOLE(1)","83-34-1(1)","522","High Reliability"]
[4307,"Cn1c(=O)[nH]n(c1=O)-c2ccccc2\n\n\n","O=c1n([nH]c(=O)n1C)c1ccccc1","O=C2NN(c1ccccc1)C(=O)N2C","",1,"1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-(1)","14500-23-3(1)","4038","High Reliability"]
[4308,"Nc1ncc(s1)S(=O)(=O)c2ccc(N)cc2\n\n\n","Nc1ccc(cc1)S(=O)(=O)c1cnc(s1)N","O=S(=O)(c1ccc(N)cc1)c2cnc(N)s2","",1,"Thiazolsulfone(1)","473-30-3(1)","1830","Medium Reliability"]
[4309,"Nc1ccc(cc1)S(=O)(=O)Nc2nccs2\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1nccs1","O=S(=O)(Nc1nccs1)c2ccc(N)cc2","",1,"SULFATHIAZOLE(1)","72-14-0(1)","289","High Reliability"]
[4310,"Nc1ccc(cc1)S(=O)(=O)Nc2ncco2\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1ncco1","O=S(=O)(Nc1ncco1)c2ccc(N)cc2","",1,"Benzenesulfonamide, 4-amino-N-2-oxazolyl-(1)","17103-51-4(1)","4140","Medium Reliability"]
[4311,"NC(Cc1cc(c(O)c(c1)N(=O)=O)N(=O)=O)C(O)=O\nNC(Cc1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O)C(O)=O\n\n","OC(=O)C(Cc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O)N","O=C(O)C(N)Cc1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-]","",1,"3,5-dinitro-L-tyrosine(1)","17360-11-1(1)","4152","High Reliability","Stereochemistry removed"]
[4312,"CNC(=O)Nc1nc2ccccc2s1\n\n\n","CNC(=O)Nc1nc2c(s1)cccc2","O=C(Nc2nc1ccccc1s2)NC","",1,"Benzthiazuron(1)","1929-88-0(1)","3040","High Reliability"]
[4313,"Nc1nc(nc(N)n1)-c2ccccc2\n\n\n","Nc1nc(N)nc(n1)c1ccccc1","n1c(nc(nc1N)c2ccccc2)N","",1,"BENZOGUANAMINE(1)","91-76-9(1)","676","High Reliability"]
[4314,"CN1C(=O)COc2ccccc12\n\n\n","O=C1COc2c(N1C)cccc2","O=C1N(c2ccccc2(OC1))C","",1,"2H-1,4-Benzoxazin-3(4H)-one, 4-methyl-(1)","21744-84-3(1)","4302","High Reliability"]
[4315,"CC1OC(=O)c2c1ccc(N)c2\nCC1OC(=O)c2cc(N)ccc12\n\n","Nc1ccc2c(c1)C(=O)OC2C","O=C1OC(c2ccc(N)cc12)C","",1,"1(3H)-Isobenzofuranone, 6-amino-3-methyl-(1)","118343-31-0(1)","5624","Medium Reliability"]
[4316,"CC(=O)C(=O)Nc1ccccc1\n\n\n","O=C(C(=O)C)Nc1ccccc1","O=C(Nc1ccccc1)C(=O)C","",1,"Propanamide, 2-oxo-N-phenyl-(1)","46114-86-7(1)","4771","High Reliability"]
[4317,"NC(=O)COC(=O)c1ccccc1\n\n\n","O=C(c1ccccc1)OCC(=O)N","O=C(OCC(=O)N)c1ccccc1","",1,"ACETAMIDE, 2-(BENZOYLOXY)-(1)","64649-43-0(1)","5041","Medium Reliability"]
[4318,"OC(=O)CNC(=O)c1ccccc1\n\n\n","O=C(c1ccccc1)NCC(=O)O","O=C(O)CNC(=O)c1ccccc1","",1,"HIPPURIC ACID(1)","495-69-2(1)","1889","High Reliability"]
[4319,"CCC(=O)Oc1ccc(cc1)[N+]([O-])=O\n\n\n","CCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","O=C(Oc1ccc(cc1)[N+](=O)[O-])CC","",1,"Propanoic acid, 4-nitrophenyl ester(1)","1956-06-5(1)","3046","High Reliability"]
[4320,"Cc1nc(C)c(cc1C(O)=O)C(O)=O\n\n\n","OC(=O)c1cc(C(=O)O)c(nc1C)C","O=C(O)c1cc(C(=O)O)c(nc1C)C","",1,"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-(1)","2602-36-0(1)","3253","High Reliability"]
[4321,"COc1c(OC)c(c(cc1)C(O)=O)[N+]([O-])=O\nCOc1ccc(C(O)=O)c(c1OC)[N+]([O-])=O\n\n","COc1ccc(c(c1OC)[N+](=O)[O-])C(=O)O","O=C(O)c1ccc(OC)c(OC)c1[N+](=O)[O-]","",1,"Benzoic acid, 3,4-dimethoxy-2-nitro-(1)","79025-28-8(1)","5250","Medium Reliability"]
[4322,"COc1c(OC)cc(c(c1)C(O)=O)[N+]([O-])=O\nCOc1cc(C(O)=O)c(cc1OC)[N+]([O-])=O\nCOc1cc(C([O-])=O)c(cc1OC)[N+]([O-])=O\n","COc1cc([N+](=O)[O-])c(cc1OC)C(=O)O","O=C(O)c1cc(OC)c(OC)cc1[N+](=O)[O-]","",1,"Benzoic acid, 4,5-dimethoxy-2-nitro-(1)","4998-07-6(1)","3556","High Reliability"]
[4323,"S=C=NCCc1ccccc1\nCCc1ccccc1N=C=S\n\n","S=C=NCCc1ccccc1","C(=NCCc1ccccc1)=S","",1,"2-phenethylisothiocyanate(1)","2257-09-2(1)","3147","Medium Reliability","Name verified in PubChem"]
[4324,"BrC(Br)(Br)Br\n\n\n","BrC(Br)(Br)Br","C(Br)(Br)(Br)Br","",1,"CARBON TETRABROMIDE(1)","558-13-4(1)","2169","High Reliability"]
[4325,"FC(F)(F)Br\n\n\n","FC(Br)(F)F","FC(F)(F)Br","",1,"BROMOTRIFLUOROMETHANE(1)","75-63-8(1)","357","High Reliability"]
[4326,"[O-][N+](=O)C(Br)([N+]([O-])=O)[N+]([O-])=O\n\n\n","BrC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])Br","",1,"METHANE, BROMOTRINITRO-(1)","560-95-2(1)","2173","High Reliability"]
[4327,"FC(F)(Cl)Cl\n\n\n","FC(Cl)(Cl)F","FC(F)(Cl)Cl","",1,"DICHLORODIFLUOROMETHANE(1)","75-71-8(1)","362","High Reliability"]
[4328,"FC(Cl)(Cl)Cl\n\n\n","FC(Cl)(Cl)Cl","FC(Cl)(Cl)Cl","",1,"TRICHLOROFLUOROMETHANE(1)","75-69-4(1)","361","High Reliability"]
[4329,"[O-][N+](=O)C(Cl)(Cl)Cl\n\n\n","ClC([N+](=O)[O-])(Cl)Cl","O=[N+]([O-])C(Cl)(Cl)Cl","",1,"TRICHLORONITROMETHANE(1)","76-06-2(1)","384","High Reliability"]
[4330,"ClC(Cl)(Cl)Cl\n\n\n","ClC(Cl)(Cl)Cl","C(Cl)(Cl)(Cl)Cl","",1,"CARBON TETRACHLORIDE(1)","56-23-5(1)","90","High Reliability"]
[4331,"FC(F)(F)Cl\n\n\n","FC(Cl)(F)F","FC(F)(F)Cl","",1,"CHLOROTRIFLUOROMETHANE(1)","75-72-9(1)","363","High Reliability"]
[4332,"ClC#N\n\n\n","ClC#N","N#CCl","",1,"CYANOGEN CHLORIDE(1)","506-77-4(1)","1937","High Reliability"]
[4333,"[O-][N+](=O)C(Cl)([N+]([O-])=O)[N+]([O-])=O\n\n\n","ClC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])Cl","",1,"Chlorotrinitromethane(1)","1943-16-4(1)","3042","High Reliability"]
[4334,"FC(F)(F)F\n\n\n","FC(F)(F)F","FC(F)(F)F","",1,"TETRAFLUOROMETHANE(1)","75-73-0(1)","364","High Reliability"]
[4335,"BrCBr\n\n\n","BrCBr","C(Br)Br","",1,"DIBROMOMETHANE(1)","74-95-3(1)","317","High Reliability"]
[4336,"ClCBr\n\n\n","ClCBr","C(Cl)Br","",1,"CHLOROBROMOMETHANE(1)","74-97-5(1)","319","High Reliability"]
[4337,"ClCCl\n\n\n","ClCCl","C(Cl)Cl","",1,"DICHLOROMETHANE(1)","75-09-2(1)","329","High Reliability"]
[4338,"FCCl\n\n\n","FCCl","FCCl","",1,"CHLOROFLUOROMETHANE(1)","593-70-4(1)","2321","High Reliability"]
[4339,"[O-][N+](=O)CCl\n\n\n","[O-][N+](=O)CCl","O=[N+]([O-])CCl","",1,"Methane, chloronitro-(1)","1794-84-9(1)","2987","High Reliability"]
[4340,"ICI\n\n\n","ICI","C(I)I","",1,"METHYLENE IODIDE(1)","75-11-6(1)","330","High Reliability"]
[4341,"NC#N\n\n\n","NC#N","N#CN","",1,"CYANAMIDE(1)","420-04-2(1)","1775","High Reliability"]
[4342,"C=O\n\n\n","C=O","O=C","",1,"FORMALDEHYDE(1)","50-00-0(1)","1","Medium Reliability"]
[4343,"OC=O\n[Na+].[O-]C=O\n[K+].OC=O.[O-]C=O\n[K+].[O-]C=O","OC=O","O=CO","",3,"FORMIC ACID(1), Sodium Formate(1), Potassium Formate(1)","64-18-6(1), 141-53-7(1), 590-29-4(1)","226, 1566, 2288","High Reliability","Differences in counterions, Organic counterion"]
[4344,"CBr\n\n\n","CBr","CBr","",1,"METHYL BROMIDE(1)","74-83-9(1)","308","Medium Reliability"]
[4345,"CCl\n\n\n","CCl","CCl","",1,"METHYL CHLORIDE(1)","74-87-3(1)","312","High Reliability"]
[4346,"NC(=O)NCl\n\n\n","NC(=O)NCl","O=C(N)NCl","",1,"Urea, chloro-(1)","3135-74-8(1)","3334","Medium Reliability"]
[4347,"OS(=O)(=O)C(Cl)S(O)(=O)=O\n\n\n","ClC(S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)C(Cl)S(=O)(=O)O","",1,"Methanedisulfonic acid, chloro-(1)","74692-14-1(1)","5210","Medium Reliability"]
[4348,"OS(=O)(=O)C(Cl)(S(O)(=O)=O)S(O)(=O)=O\n\n\n","ClC(S(=O)(=O)O)(S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)C(Cl)(S(=O)(=O)O)S(=O)(=O)O","",1,"Methanetrisulfonic acid, chloro-(1)","76371-36-3(1)","5223","Medium Reliability"]
[4349,"CF\n\n\n","CF","FC","",1,"FLUOROMETHANE(1)","593-53-3(1)","2319","High Reliability"]
[4350,"CS(F)(=O)=O\n\n\n","CS(=O)(=O)F","O=S(=O)(F)C","",1,"FLUOROMETHYL SULFONE(1)","558-25-8(1)","2170","High Reliability"]
[4351,"CI\n\n\n","CI","CI","",1,"METHYL IODIDE(1)","74-88-4(1)","313","High Reliability"]
[4352,"Nc1nnn[nH]1\nNc1n[nH]nn1\n\n","Nc1nnn[nH]1","n1n[nH]c(n1)N","",1,"5-AMINO-1H-TETRAZOLE(1)","4418-61-5(1)","3493","High Reliability"]
[4353,"NC=O\n\n\n","NC=O","O=CN","",1,"FORMAMIDE(1)","75-12-7(1)","331","High Reliability"]
[4354,"C[N+]([O-])=O\n\n\n","[O-][N+](=O)C","O=[N+]([O-])C","",1,"NITROMETHANE(1)","75-52-5(1)","353","High Reliability"]
[4355,"C\n\n\n","C","C","",1,"METHANE(1)","74-82-8(1)","307","High Reliability"]
[4356,"CNCl\n\n\n","CNCl","N(C)Cl","",1,"Methanamine, N-chloro-(1)","6154-14-9(1)","3707","High Reliability"]
[4357,"NC(N)=O\n\n\n","NC(=O)N","O=C(N)N","",1,"UREA(1)","57-13-6(1)","119","High Reliability"]
[4358,"NC(=O)NO\n\n\n","NC(=O)NO","O=C(N)NO","",1,"HYDROXYUREA(1)","127-07-1(1)","1468","High Reliability"]
[4359,"NC(N)=S\n\n\n","NC(=S)N","NC(N)=S","",1,"THIOUREA(1)","62-56-6(1)","210","High Reliability"]
[4360,"NC(=N)N[N+]([O-])=O\nNC(N)=N[N+]([O-])=O\n\n","[O-][N+](=O)NC(=N)N","O=[N+]([O-])NC(=N)N","",1,"NITROGUANIDINE(1)","556-88-7(1)","2161","High Reliability"]
[4361,"CO\n\n\n","CO","OC","",1,"METHANOL(1)","67-56-1(1)","250","High Reliability"]
[4362,"CS(O)(=O)=O\n\n\n","CS(=O)(=O)O","O=S(=O)(O)C","",1,"METHANESULFONIC ACID(1)","75-75-2(1)","365","High Reliability"]
[4363,"OS(=O)(=O)CS(O)(=O)=O\n[Ca+2].[O-]S(=O)(=O)CS([O-])(=O)=O\n\n","OS(=O)(=O)CS(=O)(=O)O","O=S(=O)(O)CS(=O)(=O)O","",2,"METHANEDISULFONIC ACID(1), Calcium Methionate(1)","503-40-2(1), 819-17-0(1)","1924, 2697","High Reliability"]
[4364,"CS\n\n\n","CS","CS","",1,"METHANETHIOL(1)","74-93-1(1)","316","High Reliability"]
[4365,"CN\n\n\n","CN","NC","",1,"METHYLAMINE(1)","74-89-5(1)","314","High Reliability"]
[4366,"NC(N)=N\n[H+].[Cl-].NC(N)=N\n\n","NC(=N)N","N=C(N)N","",1,"GUANIDINE(1)","113-00-8(1)","1268","High Reliability","Differences in counterions"]
[4367,"NNC(N)=S\n\n\n","NNC(=S)N","NNC(N)=S","",1,"THIOSEMICARBAZIDE(1)","79-19-6(1)","469","High Reliability"]
[4368,"NNC(=N)N[N+]([O-])=O\n\n\n","[O-][N+](=O)NC(=N)NN","O=[N+]([O-])NC(=N)NN","",1,"Hydrazinecarboximidamide, N-nitro-(1)","18264-75-0(1)","4188","Medium Reliability"]
[4369,"CP(O)(O)=O\n\n\n","CP(=O)(O)O","O=P(O)(O)C","",1,"METHYLPHOSPHONIC ACID(1)","993-13-5(1)","2785","High Reliability"]
[4370,"CC(CCl)OC(C)CCl\n\n\n","C([2H])[I]P","[ERROR]","Conversion from SMILES: unable to generate SMILES string (Unable to run canonical labeler for the SMILES (For input string: \"125300-1\"))",1,"DCIP  (2,2'-OXYBIS-1-CHLOROPROPANE)(1)","108-60-1(1)","1091","Medium Reliability"]
[4371,"CNN\n\n\n","CNN","NNC","",1,"METHYL HYDRAZINE(1)","60-34-4(1)","188","High Reliability"]
[4372,"ClC(Br)Br\n\n\n","ClC(Br)Br","C(Cl)(Br)Br","",1,"DIBROMOCHLOROMETHANE(1)","124-48-1(1)","1447","High Reliability"]
[4373,"BrC(Br)Br\n\n\n","BrC(Br)Br","C(Br)(Br)Br","",1,"BROMOFORM(1)","75-25-2(1)","337","High Reliability"]
[4374,"ClC(Cl)Br\n\n\n","ClC(Br)Cl","C(Cl)(Cl)Br","",1,"BROMODICHLOROMETHANE(1)","75-27-4(1)","339","High Reliability"]
[4375,"FC(Cl)Cl\n\n\n","FC(Cl)Cl","FC(Cl)Cl","",1,"DICHLOROFLUOROMETHANE(1)","75-43-4(1)","348","High Reliability"]
[4376,"ClC(Cl)Cl\n\n\n","ClC(Cl)Cl","C(Cl)(Cl)Cl","",1,"CHLOROFORM(1)","67-66-3(1)","253","High Reliability"]
[4377,"FC(F)Cl\n\n\n","FC(Cl)F","FC(F)Cl","",1,"CHLORODIFLUOROMETHANE(1)","75-45-6(1)","349","High Reliability"]
[4378,"FC(F)F\n\n\n","FC(F)F","FC(F)F","",1,"TRIFLUOROMETHANE(1)","75-46-7(1)","350","High Reliability"]
[4379,"IC(I)I\n\n\n","IC(I)I","C(I)(I)I","",1,"IODOFORM(1)","75-47-8(1)","351","High Reliability"]
[4380,"C#N\n\n\n","C#N","N#C","",1,"HYDROCYANIC ACID(1)","74-90-8(1)","315","High Reliability"]
[4381,"[K+].[O-]C#N\n\n\n","OC#N","N#CO","",1,"POTASSIUM CYANATE(1)","590-28-3(1)","2287","High Reliability"]
[4382,"[NH4+].[S-]C#N\n\n\n","SC#N","N#CS","",1,"THIOCYANIC ACID, AMMONIUM SALT(1)","1762-95-4(1)","2984","High Reliability"]
[4383,"IC#N\n\n\n","IC#N","N#CI","",1,"Iodine cyanide(1)","506-78-5(1)","1938","High Reliability"]
[4384,"[O-][N+](=O)C([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","",1,"TETRANITROMETHANE(1)","509-14-8(1)","1944","High Reliability"]
[4385,"O=C=O\n\n\n","O=C=O","O=C=O","",1,"CARBON DIOXIDE(1)","124-38-9(1)","1445","High Reliability"]
[4386,"S=C=S\n\n\n","S=C=S","C(=S)=S","",1,"CARBON DISULFIDE(1)","75-15-0(1)","332","High Reliability"]

{"sheet":"Rejected","index":1,"n_rows":488,"n_cols":4,"rows_kept":488}
["Original ID","CHEMICAL","CAS_NO","Warnings"]
[37,"GLUCOSE","50-99-7","Stereochemistry removed, Missing/ambiguous"]
[82,"ISONICOTINIC ACID","55-22-1","Organic counterion, Missing/ambiguous"]
[93,"Tributyl tin acetate","56-36-0","Unusual elements, Missing/ambiguous"]
[128,"Fructose","57-48-7","Stereochemistry removed, Missing/ambiguous"]
[175,"NICOTINIC ACID","59-67-6","Organic counterion, Missing/ambiguous"]
[179,"TRIBUTYRIN","60-01-5","Missing/ambiguous"]
[205,"CHLORMERODRIN","62-37-3","Unusual elements"]
[206,"PHENYLMERCURIC ACETATE","62-38-4","Unusual elements"]
[260,"Vitamin B 12","68-19-9","Stereochemistry removed, Unusual elements"]
[356,"CACODYLIC ACID","75-60-5","Unusual elements"]
[366,"TETRAMETHYLSILANE","75-76-3","Unusual elements"]
[406,"TRIPHENYLTIN HYDROXIDE","76-87-9","Unusual elements, Missing/ambiguous"]
[482,"3-Furancarboxylic acid, tetrahydro-2,2-dimethyl-","79-91-4","Stereochemistry removed, Missing/ambiguous"]
[555,"P-NITROSALICYLIC ACID","85-38-1","Missing/ambiguous"]
[563,"2,7-NAPHTHALENEDISULFONIC ACID, 1-AMINO-","85-74-5","Missing/ambiguous"]
[655,"L-SPARTEINE","90-39-1","Stereochemistry removed, Missing/ambiguous"]
[706,"NICOTINIC ACID, METHYL ESTER","93-60-7","Organic counterion, Missing/ambiguous"]
[887,"PHENYLMERCURIC HYDROXIDE","100-57-2","Unusual elements"]
[916,"1,3,5-TRIETHYLBENZENE","102-25-0","Missing/ambiguous"]
[1029,"1-IODOPROPANE","107-08-4","Missing/ambiguous"]
[1047,"HEXAMETHYLDISILOXANE","107-46-0","Unusual elements"]
[1049,"OCTAMETHYLTRISILOXANE","107-51-7","Unusual elements"]
[1200,"DIISOBUTYLAMINE","110-96-3","Stereochemistry removed, Missing/ambiguous"]
[1251,"BIS (2-ETHOXY ETHYL)  ETHER","112-36-7","Organic counterion, Unusual elements, Inorganic"]
[1429,"ARETAN","123-88-6","Unusual elements"]
[1448,"METHANE ARSONATE","124-58-3","Unusual elements, Inorganic"]
[1457,"GRISEOFULVIN","126-07-8","Stereochemistry removed, Missing/ambiguous"]
[1466,"Oxanamide","126-93-2","Missing/ambiguous"]
[1482,"Silver Lactate","128-00-7","Organic counterion, Unusual elements, Inorganic"]
[1567,"DECAMETHYLTETRASILOXANE","141-62-8","Unusual elements"]
[1600,"DSMA","144-21-8","Unusual elements"]
[1611,"ARABINOSE","147-81-9","Stereochemistry removed, Missing/ambiguous"]
[1630,"POTASSIUM CYANIDE","151-50-8","Organic counterion, Unusual elements, Inorganic"]
[1706,"HYDRAZINE","302-01-2","Inorganic"]
[1754,"2,4,6-Cycloheptatrien-1-one, 3,5,7-tribromo-2-hy","363-67-7","Missing/ambiguous"]
[1759,"BENZENEDIAZONIUM HEXAFLUOPHOSPHATE (1-)","369-58-4","Inorganic"]
[1768,"Triphenyltin fluoride","379-52-2","Unusual elements, Missing/ambiguous"]
[1817,"Cyclopentanecarboxylic acid, 1,2,2,3-tetramethyl","464-88-0","Missing/ambiguous"]
[1823,"1,3-Cyclopentanedicarboxylic acid, 1,4,4-trimeth","470-64-4","Missing/ambiguous"]
[1829,"2H-Pyran-2,5-dicarboxylic acid, tetrahydro-2,6,6","473-18-7","Missing/ambiguous"]
[1840,"Safranine T","477-73-6","Missing/ambiguous"]
[1874,"ICHTHYOPTE","490-58-4","Missing/ambiguous"]
[1880,"Mersalyl","492-18-2","Unusual elements"]
[1886,"Acridine, 3,6-bis(dimethylamino)-","494-38-2","Missing/ambiguous"]
[1897,"2H-Pyran-2,6-dicarboxylic acid, 3,4-dihydro-3,4-","497-58-5","Missing/ambiguous"]
[1909,"DINICOTINIC ACID","499-81-0","Organic counterion, Missing/ambiguous"]
[1918,"Methylmercury Dicyandiamide","502-39-6","Unusual elements"]
[1920,"2-Heptenedioic acid, 4-oxo-","502-51-2","Missing/ambiguous"]
[2009,"Cellobiose","528-50-7","Stereochemistry removed, Missing/ambiguous"]
[2023,"2-CHLOROACETANILIDE","533-17-5","Missing/ambiguous"]
[2029,"N,N-DIMETHYLTHIOUREA","534-13-4","Missing/ambiguous"]
[2067,"1,2-Ethylene Dibromide","540-49-8","Stereochemistry removed, Missing/ambiguous"]
[2075,"DODECAMETHYLCYCLOHEXASILOXANE","540-97-6","Unusual elements"]
[2076,"DECAMETHYLCYCLOPENTASILOXANE","541-02-6","Unusual elements"]
[2077,"Uranyl Acetate","541-09-3","Unusual elements"]
[2078,"DICHLORO(2-CHLOROVINYL)ARSINE (TRANS)","541-25-3","Stereochemistry removed, Unusual elements"]
[2081,"Barium Formate","541-43-5","Organic counterion, Unusual elements, Inorganic"]
[2087,"2-Pentanol, carbamate","541-95-7","Missing/ambiguous"]
[2093,"1,3-DICHLOROPROPENE (isomer mix)","542-75-6","Stereochemistry removed, Mixture"]
[2102,"Barium Acetate","543-80-6","Organic counterion, Unusual elements, Inorganic"]
[2105,"Strontium Acetate","543-94-2","Unusual elements, Inorganic"]
[2121,"Furfurin","550-23-2","Stereochemistry removed, Missing/ambiguous"]
[2160,"OCTAMETHYLTETRASILOXANE","556-67-2","Unusual elements"]
[2166,"Zinc Acetate","557-34-6","Organic counterion, Unusual elements, Inorganic"]
[2168,"Zinc Formate","557-41-5","Organic counterion, Unusual elements, Inorganic"]
[2186,"Benzeneacetic acid, .alpha.-amino-.alpha.-methyl","565-07-1","Missing/ambiguous"]
[2246,"Butanedioic acid, bromo-, (.+-.)-","584-98-5","Missing/ambiguous"]
[2262,"2-Propanol, 1,3-dichloro-, carbamate","587-01-9","Missing/ambiguous"]
[2281,"Potassium Percarbonate","589-97-9","Missing/ambiguous"]
[2320,"Ethylarsine","593-59-9","Unusual elements, Missing/ambiguous"]
[2322,"Dimethyl selenide","593-79-3","Unusual elements"]
[2358,"Benzenesulfonamide, 4-amino-N-(2-methyl-4-pyrimi","599-84-8","Missing/ambiguous"]
[2376,"HLORALANTIPYRINE","603-63-4","Missing/ambiguous"]
[2397,"1,2,3,4,5,6-HEXACHLOROCYCLOHEXANE (mixture)","608-73-1","Mixture"]
[2426,"NICOTINIC ACID, ETHYL ESTER","614-18-6","Organic counterion, Missing/ambiguous"]
[2468,"Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2","619-02-3","Missing/ambiguous"]
[2547,"Pentanoic acid, 4-amino-, (.+-.)-","627-61-2","Missing/ambiguous"]
[2560,"ETHYLENE GLYCOL DINITRATE","628-96-6","Inorganic"]
[2576,"TETRAETHYLSILANE","631-36-7","Unusual elements"]
[2604,"TRIPHENYLTIN CHLORIDE","639-58-7","Unusual elements"]
[2608,"D-Inositol","643-12-9","Missing/ambiguous"]
[2627,"Dibutyl dichloro tin","683-18-1","Unusual elements"]
[2667,"DIMETHYLTIN DICHLORIDE","753-73-1","Unusual elements"]
[2677,"2-METHYL-1-PENTENE","763-29-1","Missing/ambiguous"]
[2692,"1-Butanone, 1-(4-fluorophenyl)-4-[4-(4-fluorophe","803-45-2","Missing/ambiguous"]
[2704,"D-Glucaric acid, di-.gamma.-lactone","826-91-5","Missing/ambiguous"]
[2735,"FENTIN ACETATE","900-95-8","Unusual elements"]
[2743,"Lactic acid, dimethylthiocarbamate, D-(-)-","923-18-2","Missing/ambiguous"]
[2746,"Carbonic acid, trithio, diester with 2-mercaptop","924-57-2","Missing/ambiguous"]
[2747,"Lactic acid, O-ester with S-ethyl dithiocarbonat","924-62-9","Missing/ambiguous"]
[2780,"9,10-Anthracenedicarboxylic acid, 9,10-dihydro-,","963-85-9","Missing/ambiguous"]
[2781,"9,10-Anthracenedicarboxylic acid, 9,10-dihydro-,","963-86-0","Missing/ambiguous"]
[2807,"DIMETHYLSILANEDIOL","1066-42-8","Unusual elements"]
[2808,"TRIETHYLCHLOROLEAD","1067-14-7","Unusual elements"]
[2809,"DI-n-BUTYL TIN DIACETATE","1067-33-0","Unusual elements, Missing/ambiguous"]
[2827,"Butanoic acid, 2-[(2-amino-1-oxobutyl)amino]-, [","1115-51-1","Missing/ambiguous"]
[2833,"1,3-Disiloxanediol, 1,1,3,3-tetramethyl-","1118-15-6","Unusual elements"]
[2852,"DIPHENYLTIN DICHLORIDE","1135-99-5","Unusual elements"]
[2883,"DICHLOROETHANES","1300-21-6","Missing/ambiguous"]
[2885,"DIIODOSALICYLIC ACID","1321-04-6","Missing/ambiguous"]
[2887,"TRICHLORONAPHTHALENES","1321-65-9","Missing/ambiguous"]
[2888,"METHYL NAPHTHALENES (mixture of isomers)","1321-94-4","Mixture"]
[2889,"XYLENES (Isomer Mixture)","1330-20-7","Mixture"]
[2891,"METHYLCYCLOHEXANONE","1331-22-2","Missing/ambiguous"]
[2892,"TETRAMETHYL DECYNEDIOL","1333-17-1","Missing/ambiguous"]
[2895,"PCBS","1336-36-3","Stereochemistry removed, Organic counterion, Missing/ambiguous"]
[2897,"Nystatin","1400-61-9","Stereochemistry removed, Missing/ambiguous"]
[2903,"PHOSPHONIC ACID, METHYL-, DIISOPROPYL ESTER","1445-75-6","Organic counterion, Missing/ambiguous"]
[2908,"TRIBUTYLCHLOROSTANNANE","1461-22-9","Unusual elements"]
[2920,"TRIMETHYL LEAD CHLORIDE","1520-78-1","Unusual elements, Missing/ambiguous"]
[2940,"MERCURIC ACETATE","1600-27-7","Unusual elements, Inorganic"]
[2969,"4-Hydroxy-butyraldehyde-<2,4-dinitro-phenylhydra","1708-33-4","Missing/ambiguous"]
[2986,"Phenylphosphinic acid","1779-48-2","Missing/ambiguous"]
[2990,"DIBUTYL PHOSPHITE","1809-19-4","Missing/ambiguous"]
[3058,"TRI-N-BUTYLTIN FLUORIDE","1983-10-4","Unusual elements"]
[3112,"MSMA","2163-80-6","Unusual elements"]
[3115,"BCPC","2164-13-8","Organic counterion, Unusual elements"]
[3117,"Propanoic acid, 3,3'-selenobis-","2168-88-9","Unusual elements"]
[3135,"2-Furanmethanol, tetrahydro-, benzoate","2217-32-5","Missing/ambiguous"]
[3154,"VAMIDOTHION","2275-23-2","Missing/ambiguous"]
[3156,"ETHYL MERCURY CYANIDE","2279-63-2","Unusual elements"]
[3190,"1,6-HEPTADIENE","2396-63-6","Missing/ambiguous"]
[3219,"Medinoterb acetate","2487-01-6","Missing/ambiguous"]
[3251,"CHIPCOTE","2597-97-9","Unusual elements"]
[3255,"Urea, (2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1","2620-71-5","Missing/ambiguous"]
[3258,"2,4(1H,3H)-Pteridinedione, 7-hydroxy-1,6-dimethy","2625-22-1","Missing/ambiguous"]
[3282,"ETHYL MERCURY THIOCYANATE-S","2754-57-6","Missing/ambiguous"]
[3286,"5,5'-Barbituric acid, 5,5'-dihydroxy-1,1'-dimeth","2784-22-7","Missing/ambiguous"]
[3341,"Butanoic acid, 2-[(aminoiminomethyl)amino]-","3164-99-6","Missing/ambiguous"]
[3352,"Benzenesulfonamide, 4-amino-N-(4-methoxy-2-pyrim","3213-22-7","Missing/ambiguous"]
[3359,"Spiro[benzofuran-2(3H), 1'-[2]cyclohexene]-3,4'-","3260-51-3","Missing/ambiguous"]
[3360,"Spiro[benzofuran-2(3H), 1'-[3]cyclohexene]-2',3-","3260-52-4","Missing/ambiguous"]
[3362,"<1-Methyl-propylidene>-succinic acid","3283-26-9","Missing/ambiguous"]
[3378,"Propanamide, N,N'-1,2-ethanediylbis-","3403-77-8","Missing/ambiguous"]
[3383,"[1,2,5]Selenadiazolo[3,4-d]pyrimidine-5,7(4H,6H)","3434-54-6","Unusual elements"]
[3429,"Bicyclo[2.2.1]heptan-2-one, 7-(hydroxymethyl)-1,","3751-95-9","Missing/ambiguous"]
[3434,"POTASSIUM CHLORATE","3811-04-9","Inorganic"]
[3444,"Hydantoin, 1-[[3-(5-nitro-2-furyl)allylidene]ami","3912-28-5","Missing/ambiguous"]
[3454,"Glycolic acid, methyl ester, nitrate","4059-62-5","Missing/ambiguous"]
[3467,"Glucopyranose, 2-(N4-acetylsulfanilamido)-2-deox","4181-03-7","Missing/ambiguous"]
[3500,"Cyclohexanepropanoic acid, .alpha.-amino-4-hydro","4441-51-4","Missing/ambiguous"]
[3504,"Acetamide, N-[4-[[(6-chloro-3-pyridazinyl)amino]","4489-33-2","Missing/ambiguous"]
[3507,"N-NITROSOMETHYLVINYLAMINE","4549-40-0","Missing/ambiguous"]
[3511,"2,4,6-Cycloheptatrien-1-one, 3,7-dibromo-2-hydro","4584-66-1","Missing/ambiguous"]
[3515,"Benzeneacetic acid, .alpha.-hydroxy-4-(1-methyle","4607-63-0","Missing/ambiguous"]
[3518,"2,4,6-Cycloheptatrien-1-one, 3,7-dibromo-2-hydro","4636-41-3","Missing/ambiguous"]
[3530,"2,4,6-TRINITROPHENETOL","4732-14-3","Missing/ambiguous"]
[3535,"Propanoic acid, 2,2'-dithiobis-","4775-93-3","Missing/ambiguous"]
[3547,"KASUGAMYCIN","4849-32-5","Stereochemistry removed, Missing/ambiguous"]
[3548,"UREA PHOSPHATE (1:1)","4861-19-2","Organic counterion, Inorganic"]
[3569,"…-D-Galactopyranosiduronic acid, methyl","5155-53-3","Missing/ambiguous"]
[3570,"…-D-Galactopyranosiduronic acid, methyl, methyl","5155-54-4","Missing/ambiguous"]
[3579,"2,6-dimethyl-5,6-dihydro-2H-pyran-3-carboxylic a","5270-62-2","Missing/ambiguous"]
[3584,"SULFAMIC ACID","5329-14-6","Inorganic"]
[3592,"Ribitol, 1,3:2,4-di-O-methylene-","5348-91-4","Missing/ambiguous"]
[3626,"Succinic acid, 2,3-dibromo-2-methyl-, erythro-(.","5469-23-8","Missing/ambiguous"]
[3638,"Purine-1(2H)-acetaldehyde, 3,6-dihydro-3,7-dimet","5614-52-8","Missing/ambiguous"]
[3661,"Cis-1,2-bis-(1-methyl-3-oxo-but-1-enylamino)-cyc","5769-37-9","Missing/ambiguous"]
[3675,"DL-Alanine, N-formyl-","5893-10-7","Stereochemistry removed, Missing/ambiguous"]
[3684,"Benzenesulfonamide, 4-(D-glucopyranoxylamino)-","5962-25-4","Missing/ambiguous"]
[3686,"Propanoic acid, 2,2'-selenobis-","5962-45-8","Unusual elements"]
[3711,"Benzoic acid, 2-hydroxy-, 2,3-dihydroxypropyl es","6170-45-2","Missing/ambiguous"]
[3713,"Ethanol, 2-phenoxy-, acetate","6192-44-5","Missing/ambiguous"]
[3717,"Acetic acid, 2,2'-selenobis-","6228-62-2","Unusual elements"]
[3724,"DIETHYLAMINE, HYDROBROMIDE","6274-12-0","Organic counterion, Inorganic"]
[3745,"1,2-Benzenedicarboxamide, N,N,N',N'-tetramethyl-","6329-16-4","Missing/ambiguous"]
[3755,"2H-Pyran-3-carboxylic acid, 2-oxo-6-phenyl-, eth","6465-14-1","Missing/ambiguous"]
[3756,"Glycine, N-methyl-N-[[(phenylmethyl)thio]thioxom","6477-73-2","Missing/ambiguous"]
[3757,"Glycine, N-(dithiocarboxy)-N-phenyl-, S-benzyl e","6477-90-3","Missing/ambiguous"]
[3776,"Phthalic acid, 3-nitro-, 2-propyl ester","6744-86-1","Missing/ambiguous"]
[3778,"Phthalic acid, 3-nitro-, 2-isobutyl ester","6744-88-3","Missing/ambiguous"]
[3785,"Phthalic acid, 3-nitro-, 2 ethyl ester","6828-46-2","Missing/ambiguous"]
[3786,"Phthalic acid, 3-nitro-, 2-butyl ester","6828-47-3","Missing/ambiguous"]
[3795,"Benzenesulfonamide, 4-amino-N-(1,2,3,4-tetrahydr","6912-98-7","Missing/ambiguous"]
[3800,"NICOTINIC ACID, BUTYL ESTER","6938-06-3","Missing/ambiguous"]
[3811,"7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-","7029-96-1","Missing/ambiguous"]
[3820,"Phosphoric acid, dibutyl ethyl ester","7242-58-2","Unusual elements, Inorganic, Missing/ambiguous"]
[3827,"Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid,","7288-32-6","Missing/ambiguous"]
[3833,"Propanoic acid, 3,3'-diselenobis-","7370-58-3","Unusual elements"]
[3842,"SULFUR DIOXIDE","7446-09-5","Inorganic"]
[3849,"BENZ[a]ANTHRACENE, 9-FLUORO-7-METHYL-","7496-10-8","Missing/ambiguous"]
[3852,"1,2-Benzenedicarboxylic acid, 1,2-ethanediyl est","7517-39-7","Missing/ambiguous"]
[3856,"IODINE","7553-56-2","Inorganic"]
[3858,"PHOSPHORIC ACID, MONOSODIUM SALT","7558-80-7","Inorganic"]
[3863,"HYDROGEN FLUORIDE","7664-39-3","Inorganic"]
[3864,"SULFURIC ACID","7664-93-9","Inorganic"]
[3865,"1,2-Benzisothiazol-3-amine, N-phenyl-, 1,1-dioxi","7668-23-7","Missing/ambiguous"]
[3867,"NICOTINIC ACID, PROPYL ESTER","7681-15-4","Organic counterion, Missing/ambiguous"]
[3874,"HYDROGEN PEROXIDE","7722-84-1","Inorganic"]
[3875,"TETRASODIUM PYROPHOSPHATE","7722-88-5","Inorganic"]
[3876,"BROMINE","7726-95-6","Inorganic, Missing/ambiguous"]
[3877,"NITROGEN","7727-37-9","Inorganic"]
[3878,"POTASSIUM IODATE","7758-05-6","Inorganic"]
[3879,"COPPER SULFATE PENTAHYDRATE","7758-99-8","Organometallic, Inorganic"]
[3881,"ARSENIC ACID","7778-39-4","Unusual elements, Inorganic"]
[3882,"OXYGEN","7782-44-7","Inorganic"]
[3883,"CHLORINE","7782-50-5","Inorganic"]
[3884,"HYDROGEN SULFIDE","7783-06-4","Inorganic"]
[3887,"TERPINEOL","8000-41-7","Missing/ambiguous"]
[3891,"Ethylcellulose","9004-57-3","Missing/ambiguous"]
[3913,"s-Trithiane, 1,3-dioxide","10349-01-6","Missing/ambiguous"]
[3918,"Hexanedioic acid, 2,5-dihydroxy-2-methyl-5-(1-me","10408-17-0","Missing/ambiguous"]
[3928,"Sulfinylamide, N4-(6-deoxy-L-mannopyranosyl)-","10571-73-0","Missing/ambiguous"]
[3931,"PLINOL","11039-70-6","Missing/ambiguous"]
[3934,"AROCLOR 1221","11104-28-2","Missing/ambiguous"]
[3935,"AROCLOR 1232","11141-16-5","Missing/ambiguous"]
[3939,"Methylcyclopentadienyl Manganese","12108-13-3","Organometallic, Unusual elements, Missing/ambiguous"]
[3940,"DISPERSE BLUE 79","12239-34-8","Missing/ambiguous"]
[3944,"Propagermanium","12758-40-6","Unusual elements"]
[3948,"Carbamic acid, 1,6-hexanediylbis-, bis(2-hydroxy","13027-07-1","Missing/ambiguous"]
[3982,"2-Furanmethanol, formate","13493-97-5","Missing/ambiguous"]
[3992,"ISONICOTINIC ACID N-OXIDE","13602-12-5","Missing/ambiguous"]
[3994,"2-PROPANOL, 1-CHLORO-, PHOSPHATE (3:1)","13674-84-5","Inorganic"]
[4002,"…-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethyli","13964-22-2","Missing/ambiguous"]
[4031,"Butanoic acid, 4,4'-diselenobis-","14362-48-2","Unusual elements"]
[4042,"Malonic acid, (o-carboxybenzyl)-, 1,3-diethyl es","14746-25-9","Missing/ambiguous"]
[4046,"1-Butanone, 4-(4-hydroxy-4-phenyl-1-piperidinyl)","14862-80-7","Missing/ambiguous"]
[4068,"1,3-Benzodioxole-5-methanol, 6-nitro-","15341-08-9","Missing/ambiguous"]
[4069,"D-glycero-D-ido-heptonic acid, .gamma.-lactone","15397-07-6","Missing/ambiguous"]
[4071,"Methyl (4-chlorophenyl)sulfonyl acetate","15446-25-0","Missing/ambiguous"]
[4076,"CIS-PLATIN","15663-27-1","Unusual elements, Inorganic, Missing/ambiguous"]
[4086,"2,5-Piperazinedione, 3,6-bis(hydroxymethyl)-, ci","15996-17-5","Missing/ambiguous"]
[4099,"3-Pyridinecarbonitrile, 1,2,5,6-tetrahydro-4,6,6","16268-25-0","Missing/ambiguous"]
[4112,"6,7-Secomorphinan-6-oic acid, 8,14-didehydro-4,5","16718-61-9","Missing/ambiguous"]
[4117,"N1-(5-BR-2-PYRIDYL)SULFANILAMIDE","16805-99-5","Missing/ambiguous"]
[4122,"Benzenesulfonamide, 4-amino-N-(5-amino-2-pyridin","16840-28-1","Missing/ambiguous"]
[4124,"Benzoic acid, 2-[acetyl(carboxymethyl)amino]-","16851-69-7","Missing/ambiguous"]
[4134,"Hydrazinecarbothioamide, 2-(4-nitrophenyl)-N-2-p","17073-27-7","Missing/ambiguous"]
[4135,"Benzenesulfonamide, 4-amino-N-(6-bromo-3-pyridin","17103-43-4","Missing/ambiguous"]
[4136,"Benzenesulfonamide, 4-amino-N-(6-amino-3-pyridin","17103-45-6","Missing/ambiguous"]
[4139,"Benzenesulfonamide, 4-amino-N-(2-chloro-5-pyrimi","17103-49-0","Missing/ambiguous"]
[4141,"Benzenesulfonamide, 4-amino-N-(3-methyl-5-isoxaz","17103-52-5","Missing/ambiguous"]
[4148,"1H-Imidazole-4-carboxylic acid, 2,3-dihydro-1,3-","17245-63-5","Missing/ambiguous"]
[4166,"2,5-Thiophenedicarboxylic acid, tetrahydro, (2S-","17694-78-9","Missing/ambiguous"]
[4173,"2H-Pyran-6-carboxylic acid, 3,4-dihydro-2,3,4-tr","17894-07-4","Missing/ambiguous"]
[4180,"Ethanamine, 2-(trimethylsilyl)-","18135-04-1","Unusual elements"]
[4183,"Methanamine, 1-(trimethylsilyl)-","18166-02-4","Unusual elements"]
[4186,"1-Propanamine, 3-(trimethylsilyl)-","18187-14-9","Unusual elements"]
[4209,"2,5-Selenophenedicarboxylic acid, tetrahydro-","18721-69-2","Unusual elements"]
[4210,"Glycine, N-(1-methyl-3-oxo-1-butenyl)-, ethyl es","18807-87-9","Missing/ambiguous"]
[4212,"Hydrazinecarbothioamide, 2-[3-[5-nitro-2-furanyl","18854-93-8","Missing/ambiguous"]
[4222,"Di-1-hexanesulfonamide","19288-69-8","Missing/ambiguous"]
[4265,"Propanoic acid, 2,2'-dithiobis-, meso","20664-26-0","Missing/ambiguous"]
[4266,"Propanoic acid, 2,2'-[methylenebis(thio)]bis-, (","20664-28-2","Missing/ambiguous"]
[4267,"Butanoic acid, 2,2'-thiobis-, meso","20664-34-0","Missing/ambiguous"]
[4268,"Butyric acid, 3,3'-thiodi-, meso-","20664-36-2","Missing/ambiguous"]
[4269,"Butyric acid, 2,2'-thiobis[3-methyl-, meso-","20664-40-8","Missing/ambiguous"]
[4271,"2-<(Z)-2,4-dinitro-phenylhydrazono>-propionic ac","20724-92-9","Missing/ambiguous"]
[4272,"Propionamide, 2,2'-oxybis-, meso-","20753-85-9","Missing/ambiguous"]
[4274,"Arabinoic acid, 2,3:4,5-di-O-benzylidene-, D-","20769-96-4","Missing/ambiguous"]
[4281,"1H-2-Benzopyran-3-carboxylic, 1-oxo-, methyl est","20836-12-8","Missing/ambiguous"]
[4288,"1,3,4-Pentanetricarboxylic acid, [R-(R*,R*)]-","21142-58-5","Missing/ambiguous"]
[4305,"ISOPENTYL NITRATE","21981-48-6","Missing/ambiguous"]
[4311,"BIOPTERIN","22150-76-1","Missing/ambiguous"]
[4319,"Sulfanilamide, N1-(1,4-dihydro-1,4-dioxo-2-napht","22359-66-6","Missing/ambiguous"]
[4322,"Propanoic acid, 2,2'-selenobis-, (R*,S*)-","22659-18-3","Missing/ambiguous"]
[4323,"Butyric acid, 2,2'-selenodi-, meso-","22659-20-7","Missing/ambiguous"]
[4324,"Glycolic acid, propyl ester, nitrate","22665-54-9","Missing/ambiguous"]
[4330,"1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(1-n","22915-90-8","Missing/ambiguous"]
[4374,"VINYLTOLUENE","25013-15-4","Missing/ambiguous"]
[4378,"NONYLPHENOL (isomer mixture)","25154-52-3","Mixture"]
[4379,"DINITROBENZENES","25154-54-5","Missing/ambiguous"]
[4382,"CHLOROTOLUENE","25168-05-2","Inorganic, Missing/ambiguous"]
[4384,"HEXENE - Mixture of isomers","25264-93-1","Stereochemistry removed, Mixture"]
[4385,"DIPROPYLENE GLYCOL","25265-71-8","Missing/ambiguous"]
[4392,"DINITROTOLUENE","25321-14-6","Missing/ambiguous"]
[4394,"TETRACHLOROETHANES","25322-20-7","Missing/ambiguous"]
[4400,"HYDROXYCINNAMIC ACID","25429-38-3","Stereochemistry removed, Missing/ambiguous"]
[4404,"DINITROPHENOL","25550-58-7","Missing/ambiguous"]
[4407,"ISOPROPYLBIPHENYL","25640-78-2","Missing/ambiguous"]
[4408,"Carbonic acid, dithio-, O-benzyl ester, S-ester","25646-09-7","Missing/ambiguous"]
[4409,"TRICHLOROPROPANE","25735-29-9","Missing/ambiguous"]
[4416,"DIBROMOBENZENE","26249-12-7","Missing/ambiguous"]
[4421,"PHOSPHORIC ACID, BIS(METHYLPHENYL) PHENYL ESTER","26446-73-1","Missing/ambiguous"]
[4429,"DIPHENYLUREA","26763-63-3","Missing/ambiguous"]
[4439,"DIPROPYLENE GLYCOL, DIBENZOATE","27138-31-4","Missing/ambiguous"]
[4441,"HEXACHLOROCYCLOHEXANE","27154-44-5","Missing/ambiguous"]
[4443,"TETRADECANOL","27196-00-5","Missing/ambiguous"]
[4468,"Cyclobutanecarboxylic acid, 3-[1-[(aminocarbonyl","28587-42-0","Missing/ambiguous"]
[4471,"OCTANOL (isomer mix)","29063-28-3","Mixture"]
[4474,"BENZOXIMATE","29104-30-1","Missing/ambiguous"]
[4480,"HEXADECANOL","29354-98-1","Missing/ambiguous"]
[4482,"2,3-DICHLORODIBENZO-P-DIOXIN","29446-15-9","Missing/ambiguous"]
[4484,"2-Naphthalenesulfonic acid, 1-[(2-hydroxy-1-naph","29482-83-5","Missing/ambiguous"]
[4500,"D-Mannitol, 1,2,3,5,6-pentanitrate","30236-28-3","Missing/ambiguous"]
[4511,"ZOLONE","30725-71-4","Missing/ambiguous"]
[4522,"1-Butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-pi","31293-71-7","Missing/ambiguous"]
[4529,"HEPTACHLORONAPHTHALENE","32241-08-0","Missing/ambiguous"]
[4534,"D-Glucuronic acid, .gamma.-lactone","32449-92-6","Stereochemistry removed, Missing/ambiguous"]
[4544,"BENZOIC ACID, 2-(ACETYLOXY)-, (ACETYLOXY)METHYL","32620-68-1","Missing/ambiguous"]
[4545,"BENZOIC ACID, 2-(ACETYLOXY)-, (2,5-DIOXO-1-PYRRO","32620-72-7","Missing/ambiguous"]
[4548,"…-D-Glucofuranose, 1,2-O-(1-methylethylidene)-,","32754-29-3","Missing/ambiguous"]
[4566,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpro","33492-49-8","Missing/ambiguous"]
[4581,"Xylose, methyl hemiacetal, pentaacetate, (1R)-D-","34168-73-5","Missing/ambiguous"]
[4585,"CUMYLPHENYL DIPHENYL PHOSPHATE","34364-42-6","Missing/ambiguous"]
[4586,"N1-(6-CL-3-PYRIDYL)SULFANILAMIDE","34392-82-0","Missing/ambiguous"]
[4589,"n-BUTYL MERCURY CYANIDE","34472-57-6","Unusual elements"]
[4590,"GLYPHOSATE-SODIUM","34494-03-6","Missing/ambiguous"]
[4596,"HEPTENOPHOS","34783-40-9","Missing/ambiguous"]
[4622,"Benzenepropanoic acid, .alpha.-ethyl-.beta.-hydr","35781-54-5","Missing/ambiguous"]
[4628,"HEXABROMOBIPHENYL","36355-01-8","Inorganic, Missing/ambiguous"]
[4656,"Etacelasil","37894-46-5","Unusual elements"]
[4658,"2-Furancarboxylic acid, 5-bromo-, [3-(5-nitro-2-","37962-15-5","Missing/ambiguous"]
[4660,"D-Cysteine, L-leucyl-, (2.fwdarw.2')-disulfide","38062-65-6","Missing/ambiguous"]
[4695,"Benzoic acid, 4-(2,4-diaminophenylazo)-, ethyl e","38753-34-3","Missing/ambiguous"]
[4697,"Propanoic acid, 2-hydroxy-2-methyl-, pentyl este","38771-96-9","Missing/ambiguous"]
[4701,"3,4,5-Trihydroxy-valeric acid-<N-'-phenyl-hydraz","38996-13-3","Missing/ambiguous"]
[4704,"Fosetyl-aluminium","39148-24-8","Organometallic, Organic counterion, Missing/ambiguous"]
[4716,"2-Butenedioic acid, 2-methyl-, 1-methyl ester, (","39529-95-8","Missing/ambiguous"]
[4734,"1,3-Benzenedicarboxylic acid, 2-hydroxy-5-methyl","40617-52-5","Missing/ambiguous"]
[4736,"Azocyclotin","41083-11-8","Unusual elements"]
[4748,"1,1'-Biphenyl, 2,2',3,6'-tetrachloro-","41464-47-5","Missing/ambiguous"]
[4755,"TETRACHLORODIBENZO-P-DIOXINS","41903-57-5","Missing/ambiguous"]
[4766,"Propanediamide, 2,2-dihydroxy-N,N'-bis(4-methylp","42793-96-4","Missing/ambiguous"]
[4780,"ACETIC ACID, [(4-BROMOPHENYL)SULFONYL]-, METHYL","50397-65-4","Missing/ambiguous"]
[4782,"2H-Imidazole-2-thione, 1,3-dihydro-4-(1,2,3,4-te","50453-17-3","Missing/ambiguous"]
[4791,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-ETHOXY-2-OXOETHY","50785-24-5","Missing/ambiguous"]
[4808,"1H-Imidazole-4,5-dicarboxylic acid, 2-(1-methyle","51294-23-6","Missing/ambiguous"]
[4820,"Bicyclo[2.2.1]heptan-2-ol, 3-amino-1,7,7-trimeth","51773-76-3","Missing/ambiguous"]
[4824,"Urea, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl","51944-15-1","Missing/ambiguous"]
[4825,"Urea, N-butyl-N'-(2,3-dihydro-1,5-dimethyl-3-oxo","51944-17-3","Missing/ambiguous"]
[4828,"3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-1,2-diphe","52128-85-5","Missing/ambiguous"]
[4832,"2,5-Pyrrolidinedicarboxylic acid, 1-methyl-, cis","52321-05-8","Missing/ambiguous"]
[4841,"2,2',3,4,5-PENTACHLOROBIPHENYL","52663-62-4","Missing/ambiguous"]
[4867,"TETRANITROANILINE","53014-37-2","Missing/ambiguous"]
[4882,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl-5-(2-","53943-61-6","Missing/ambiguous"]
[4883,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-(2-m","53943-64-9","Missing/ambiguous"]
[4888,"6-Oxabicyclo[3.2.1]oct-2-ene-8-carboxylic acid,","54345-92-5","Missing/ambiguous"]
[4891,"4-methyl-trans-crotonic acid nitrile","54496-86-5","Missing/ambiguous"]
[4915,"L-Mannitol, 6-deoxy-1,3:2,5-di-O-methylene-","55645-89-1","Missing/ambiguous"]
[4937,"T-BUTYLPHENYL DIPHENYL PHOSPHATE","56803-37-3","Missing/ambiguous"]
[4956,"Butanedioic acid, (1-phenylethylidene)-, (E)","58266-38-9","Missing/ambiguous"]
[4957,"Butanedioic acid, (1-phenylethylidene)-, (Z)","58266-39-0","Missing/ambiguous"]
[4964,"Benzenesulfonamide, 4-amino-N-(1-methyl-2(1H)-py","58944-05-1","Missing/ambiguous"]
[4991,"o-Diselenane-3,6-dicarboxylic acid, trans-(+)-","60295-67-2","Stereochemistry removed, Unusual elements"]
[4996,"Butanoic acid, 4-amino-2,3-dihydroxy-4-oxo-, [R-","60574-00-7","Missing/ambiguous"]
[4998,"Ethanol, 2-(2-butoxyethoxy)-, carbamate","60653-87-4","Missing/ambiguous"]
[5048,"Spiro[benzofuran-2(3H), 1'-[2]cyclohexene]-3,4'-","65267-24-5","Missing/ambiguous"]
[5049,"Spiro[benzofuran-2(3H), 1'-[3]cyclohexene]-2',3-","65267-25-6","Missing/ambiguous"]
[5050,"Spiro[benzofuran-2(3H), 1'-[2]cyclohexene]-3,4'-","65267-26-7","Missing/ambiguous"]
[5051,"Spiro[benzofuran-2(3H), 1'-[3]cyclohexene]-2',3-","65267-27-8","Missing/ambiguous"]
[5064,"Benzoic acid, 4-(2,4-diaminophenylazo)-, methyl","66371-02-6","Missing/ambiguous"]
[5077,"Benzenepropanoic acid, .beta.-[(carboxymethyl)th","67242-91-5","Missing/ambiguous"]
[5078,"1,2-Benzisothiazole, 2,3-dihydro-2-methyl-, 1,1-","67299-16-5","Missing/ambiguous"]
[5116,"Benzoic acid anilide, 2-ethoxy-N-hydroxy","69079-96-5","Missing/ambiguous"]
[5128,"1,1'-Biphenyl, 2,3,3',4',5,5',6-heptachloro-","69782-91-8","Missing/ambiguous"]
[5138,"1,1'-BIPHENYL, 2,2',3,5-TETRACHLORO-","70362-46-8","Missing/ambiguous"]
[5140,"2,3',4',5-Tetrachlorobiphenyl","70362-48-0","Missing/ambiguous"]
[5141,"1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-3-methyl","70404-40-9","Missing/ambiguous"]
[5145,"Bitertanol stereoisomer A","70585-36-3","Isomeric mix, Missing/ambiguous"]
[5148,"Acetamide, N-[4-[[(4-methyl-2-thiazolyl)amino]su","71119-13-6","Missing/ambiguous"]
[5149,"Benzenesulfonamide, 4-amino-N-(2,3-dihydro-1,5-d","71119-16-9","Missing/ambiguous"]
[5150,"Benzenesulfonamide, 4-amino-N-(3-ethoxy-2-pyridi","71119-19-2","Missing/ambiguous"]
[5151,"Benzenesulfonamide, 4-amino-N-(5-iodo-2-pyridiny","71119-21-6","Missing/ambiguous"]
[5152,"Benzenesulfonamide, 4-amino-N-[4-(diethylamino)-","71119-24-9","Missing/ambiguous"]
[5155,"Benzenesulfonamide, 4-amino-N-(5,6,7,8-tetrahydr","71119-34-1","Missing/ambiguous"]
[5156,"Benzenesulfonamide, 4-amino-N-[5,6,7,8-tetrahydr","71119-36-3","Missing/ambiguous"]
[5157,"Benzenesulfonamide, 4-amino-N-(2-amino-5-pyrimid","71119-38-5","Missing/ambiguous"]
[5158,"Benzenesulfonamide, N,N'-2,5-pyrimidinediylbis[4","71119-39-6","Missing/ambiguous"]
[5166,"Benzenesulfonamide, 4-amino-N-(6-ethoxy-3-pyridi","71720-65-5","Missing/ambiguous"]
[5167,"Benzenesulfonamide, 4-amino-N-(5,6,7,8-tetrahydr","71720-66-6","Missing/ambiguous"]
[5189,"Propanedioic acid, [(methylamino)methyl]-2-prope","74059-43-1","Missing/ambiguous"]
[5211,"Butanedioic acid, propyl-, (.+-.)-","74708-88-6","Missing/ambiguous"]
[5214,"4-Octanol, (.+-.)-","74778-22-6","Missing/ambiguous"]
[5215,"OXABETRINIL","74782-23-3","Stereochemistry removed, Missing/ambiguous"]
[5234,"2-Butenedioic acid, 2-methyl-, 4-methyl ester, (","77044-59-8","Missing/ambiguous"]
[5236,"2,4-Hexadienedioic acid, 3-methyl-, 6-methyl est","77186-02-8","Missing/ambiguous"]
[5246,"Hydrazinecarboxamide, 2-(1-methylethylidene)-N-p","78002-37-6","Missing/ambiguous"]
[5264,"Imazamethabenz (isomer mix)","81405-85-8","Mixture"]
[5290,"1,3,4-Pentanetricarboxylic acid, [R-(R*,S*)]-","83572-31-0","Missing/ambiguous"]
[5305,"Flusilazole","85509-19-9","Unusual elements"]
[5306,"2-Imidazolidinone, 4-hydroperoxy-5-hydroxy-4-met","85576-52-9","Missing/ambiguous"]
[5315,"2,4-Imidazolidinedione, 5-butyl-, (¤)-","87052-64-0","Missing/ambiguous"]
[5323,"9H-PURIN-6-AMINE, 9-[2-O-ACETYL-3,5-BIS-O-[(1,1-","87970-03-4","Missing/ambiguous"]
[5325,"9H-PURIN-6-AMINE, 9-[3,5-BIS-O-[(1,1-DIMETHYLETH","87984-85-8","Missing/ambiguous"]
[5327,"Methylene, (methyleneamino)-","88333-02-2","Missing/ambiguous"]
[5337,"Lg-Tartaric acid monomethyl ester","89395-25-5","Missing/ambiguous"]
[5359,"2,4,6-Cycloheptatrien-1-one, 5-bromo-2-hydroxy-4","90841-50-2","Missing/ambiguous"]
[5365,"2-Furancarboxylic acid, 5-nitro-, [3-(5-nitro-2-","91330-81-3","Missing/ambiguous"]
[5373,"2-Furanacrolein, 5-nitro-, 4-phenylsemicarbazone","92150-32-8","Missing/ambiguous"]
[5375,"2,5-Furandipropionic acid, tetrahydro-, diethyl","92371-84-1","Missing/ambiguous"]
[5378,"Benzoic acid, m-nitro-, (5-nitrofurfurylidene)hy","92695-66-4","Missing/ambiguous"]
[5380,"2,5-Pyrrolidinediacetic acid, 1-methyl-, dimethy","92776-66-4","Missing/ambiguous"]
[5389,"2,4(1H,3H)-Pteridinedione, 6-acetyl-1,3,7-trimet","94591-19-2","Missing/ambiguous"]
[5392,"3-Azabicyclo[3.2.1]octane-2,4-dione, 3-hydroxy-1","94626-92-3","Missing/ambiguous"]
[5396,"Butyrophenone, 4-[4-(p-fluorophenyl)-4-hydroxypi","95948-65-5","Missing/ambiguous"]
[5398,"2-Isoindolineacetic acid, .alpha.-ethyl-.alpha.-","96435-08-4","Missing/ambiguous"]
[5399,"ALLOPURINOL, 1-ACETYL-","96448-60-1","Missing/ambiguous"]
[5400,"ALLOPURINOL, 1-(OXOPROPYL)-","96448-61-2","Missing/ambiguous"]
[5401,"ALLOPURINOL, 1-BENZOYL-","96448-63-4","Missing/ambiguous"]
[5402,"ALLOPURINOL, 1-(1-OXOBUTYL)-","96474-05-4","Missing/ambiguous"]
[5414,"ETHYL (ETHYLTHIO) MERCURY","98025-96-8","Unusual elements"]
[5422,"Spiro[benzofuran-2(3H), 1'-[2]cyclohexene]-3,4'-","98801-82-2","Missing/ambiguous"]
[5423,"ALLOPURINOL,1,5-BIS(PIVALOYLOXYMETHYL)-","98827-16-8","Missing/ambiguous"]
[5424,"ALLOPURINOL,2,5-BIS(PIVALOYLOXYMETHYL)-","98827-17-9","Missing/ambiguous"]
[5426,"ALLOPURINOL, 1,5-BIS(BUTYRYLOXYMETHYL)-","98827-19-1","Missing/ambiguous"]
[5427,"ALLOPURINOL, 2,5-BIS(BUTYRYLOXYMETHYL)-","98827-20-4","Missing/ambiguous"]
[5445,"2(1H)-Naphthalenone, octahydro-5,8-dihydroxy-1-m","100053-24-5","Missing/ambiguous"]
[5447,"Isonicotinic acid, (3-carboxy-1-methylpropyliden","100128-07-2","Missing/ambiguous"]
[5453,"1,2-Cyclohexanedione, 4-(1,1,3,3-tetramethylbuty","100879-19-4","Missing/ambiguous"]
[5457,"Benzamide, O-(L-arabinopyranosyloxy)-N,N-dimethy","101116-23-8","Missing/ambiguous"]
[5461,"1-Piperazinecarboxylic acid, 4,4'-ethylenedi-, d","101433-80-1","Missing/ambiguous"]
[5462,"Carbamic acid, hexamethylenedi-, bis(4-hydroxybu","101443-32-7","Missing/ambiguous"]
[5464,"[4-(2-ethoxyethylamino)phenyl]-(4-aminophenyl)-s","101586-90-7","Missing/ambiguous"]
[5470,"Spiro[benzofuran-2(3H), 1'-[3]cyclohexene]-3,4'-","101919-82-8","Missing/ambiguous"]
[5482,"BUTANOIC ACID, [2-(AMINOCARBONYL)PHENOXY]METHYL","103951-39-9","Missing/ambiguous"]
[5483,"O-(Pivaloyloxymethyl)salicylamide","103951-40-2","Missing/ambiguous"]
[5488,"2-THIOPHENESULFONAMIDE, 5-[(3-HYDROXYPROPYL)THIO","104437-99-2","Missing/ambiguous"]
[5489,"ACETIC ACID, 3-[[5-(AMINOSULFONYL)-2-THIENYL]SUL","104438-04-2","Missing/ambiguous"]
[5491,"Silafluofen","105024-66-6","Unusual elements"]
[5496,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","105951-32-4","Missing/ambiguous"]
[5497,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","105951-36-8","Missing/ambiguous"]
[5498,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","105951-71-1","Missing/ambiguous"]
[5500,"Benzenesulfonamide, o-(3,4-dihydro-4-oxo-2-quina","106038-70-4","Missing/ambiguous"]
[5501,"Purine-7-acetamide, N,N-diethyl-1,2,3,6-tetrahyd","106164-79-8","Missing/ambiguous"]
[5508,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(1-METHYLETHYL)","106231-56-5","Missing/ambiguous"]
[5511,"ACETAMIDE, 2-(BENZOYLOXY)-N-(2-HYDROXYETHYL)-N-M","106231-59-8","Missing/ambiguous"]
[5512,"ACETAMIDE, 2-(BENZOYLOXY)-N-ETHYL-N-(2-HYDROXYET","106231-60-1","Missing/ambiguous"]
[5513,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-HYDROXYETHYL","106231-61-2","Missing/ambiguous"]
[5514,"ACETAMIDE, N-(2-AMINO-2-OXOETHYL)-2-(BENZOYLOXY)","106231-62-3","Missing/ambiguous"]
[5515,"GLYCINE, N-[(BENZOYLOXY)ACETYL]-N-METHYL-, ETHYL","106231-63-4","Missing/ambiguous"]
[5519,"L-PROLINAMIDE,N2-[(BENZOYLOXY)ACETYL]-","106231-69-0","Missing/ambiguous"]
[5520,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","106319-38-4","Missing/ambiguous"]
[5521,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","106319-42-0","Missing/ambiguous"]
[5522,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","106319-44-2","Missing/ambiguous"]
[5523,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","106319-45-3","Missing/ambiguous"]
[5524,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","106319-46-4","Missing/ambiguous"]
[5526,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","106335-79-9","Missing/ambiguous"]
[5527,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","106400-04-8","Missing/ambiguous"]
[5533,"Glucopyranoside, propyl, tetranitrate,  -D-","108018-38-8","Missing/ambiguous"]
[5542,"BENZENESULFONAMIDE, 4-[(3-HYDROXYPROPYL)THIO]-3-","108966-59-2","Missing/ambiguous"]
[5543,"BENZOIC ACID, 5-(AMINOSULFONYL)-2-[(3-HYDROXYPRO","108966-66-1","Missing/ambiguous"]
[5544,"BENZOIC ACID, 5-(AMINOSULFONYL)-2-[(3-HYDROXYPRO","108966-67-2","Missing/ambiguous"]
[5556,"Glucopyranoside, butyl, tetranitrate,  -D-","110056-75-2","Missing/ambiguous"]
[5563,"1-Heptanol, 2-methyl-, (.+-.)-","111675-77-5","Missing/ambiguous"]
[5564,"1-Heptanol, 4-methyl-, (+-)","111692-63-8","Missing/ambiguous"]
[5565,"1-Heptanol, 3-methyl-, (.+-.)-","111767-94-3","Missing/ambiguous"]
[5566,"1-Heptanol, 5-methyl-, (.+-.)-","111767-95-4","Missing/ambiguous"]
[5567,"1-Naphthalenesulfonic acid, 8-(2-hydroxy-1-napht","111797-49-0","Missing/ambiguous"]
[5573,"Cyclanilide","113136-77-9","Missing/ambiguous"]
[5575,"Lumazine, 6,7-diethyl-","113222-29-0","Missing/ambiguous"]
[5577,"Benzenesulfonamide, 3-amino-4-[(4-aminophenyl)su","113597-77-6","Missing/ambiguous"]
[5584,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-HYDROXYPROPY","115178-63-7","Missing/ambiguous"]
[5585,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-METHOXYETHYL","115178-64-8","Missing/ambiguous"]
[5589,"2-AZETIDINECARBOXYLIC ACID, 1-[(BENZOYLOXY)ACETY","115178-74-0","Missing/ambiguous"]
[5594,"PROPANAMIDE, 2-(BENZOYLOXY)-N,N-DIETHYL-, (ñ)-","115178-79-5","Missing/ambiguous"]
[5600,"ACETAMIDE, 2-(BENZOYLOXY)-N-[2-HYDROXY-1,1-BIS(H","115193-31-2","Missing/ambiguous"]
[5601,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-METHYLPROPYL","115193-33-4","Missing/ambiguous"]
[5604,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(DIETHYLAMINO)-2","116482-56-5","Missing/ambiguous"]
[5606,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-[BIS(1-METHYLETH","116482-76-9","Missing/ambiguous"]
[5607,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-[(2-ETHOXY-2-OXO","116482-77-0","Missing/ambiguous"]
[5612,"Malic acid, S-ethyl dithiocarbonate","116977-37-8","Missing/ambiguous"]
[5615,"Glucopyranoside, ethyl, tetranitrate,  -D-","117608-69-2","Missing/ambiguous"]
[5619,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(ETHYLAMINO)-2-O","118247-01-1","Missing/ambiguous"]
[5620,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-[(2-AMINO-2-OXOE","118247-02-2","Missing/ambiguous"]
[5621,"GLYCINE, N-[[[2-(ACETYLOXY)BENZOYL]OXY]ACETYL]-,","118247-03-3","Missing/ambiguous"]
[5626,"D-Glucose, 1-(carbamoylimino)-1-deoxy-","118923-30-1","Missing/ambiguous"]
[5634,"2-THIOPHENESULFONAMIDE, 4-[(4-METHOXYPHENYL)SULF","119731-18-9","Missing/ambiguous"]
[5644,"2H-1,2,3-Triazole-4-carboxylic acid, 5-(2-carbox","122510-85-4","Missing/ambiguous"]
[5658,"Spiro[benzofuran-2(3H),1'-[2]cyclhexene-3,4'-dio","125644-63-5","Missing/ambiguous"]
[5661,"KTU 3616 (BR enantiomer)","127640-90-8","Missing/ambiguous"]
[5662,"2-THIOPHENESULFONAMIDE, 4-[(4-METHYLPHENYL)SULFO","128348-32-3","Missing/ambiguous"]
[5663,"2-FURANSULFONAMIDE, 4-[(4-METHYLPHENYL)SULFONYL]","128348-34-5","Missing/ambiguous"]
[5664,"2-FURANSULFONAMIDE, 4-[(4-METHOXYPHENYL)SULFONYL","128348-35-6","Missing/ambiguous"]
[5665,"2-THIOPHENESULFONAMIDE, 4-[(4-HYDROXYPHENYL)SULF","128348-42-5","Missing/ambiguous"]
[5666,"2-THIOPHENESULFONAMIDE, 4-[(3-HYDROXYPHENYL)SULF","128348-43-6","Missing/ambiguous"]
[5667,"2-FURANSULFONAMIDE, 4-[(4-HYDROXYPHENYL)SULFONYL","128348-44-7","Missing/ambiguous"]
[5669,"1,2-Benzenedicarboxylic acid, 3,4-dimethoxy-, 2-","128823-80-3","Missing/ambiguous"]
[5671,"N - (2 - CHLOROETHYL) - N - NITROSO - N' - [2 -","129085-57-0","Missing/ambiguous"]
[5672,"[[3-[[[(2-CHLOROETHYL) NITROSOAMINO] CARBONYL] A","129085-58-1","Missing/ambiguous"]
[5674,"PYRAFLUFEN-ETHYL","129630-17-7","Missing/ambiguous"]
[5686,"2-THIOPHENESULFONAMIDE, 5-[(4-HYDROXYBUTYL)THIO]","135832-38-1","Missing/ambiguous"]
[5687,"2-THIOPHENESULFONAMIDE, 5-[(4-HYDROXYBUTYL)SULFO","135832-39-2","Missing/ambiguous"]
[5689,"BENZENESULFONAMIDE, 4-[(4-HYDROXYBUTYL)SULFONYL]","135832-42-7","Missing/ambiguous"]
[5690,"BENZENESULFONAMIDE, 3-AMINO-4-[(2-HYDROXYETHYL)S","135832-45-0","Missing/ambiguous"]
[5692,"ACETIC ACID, 3-[4-(AMINOSULFONYL)PHENYL]PROPYL E","135832-47-2","Missing/ambiguous"]
[5695,"ACETIC ACID, 5-[4-(AMINOSULFONYL)PHENYL]PENTYL E","135832-51-8","Missing/ambiguous"]
[5696,"TRIFLUSULFURON-METHYL","135990-29-3","Missing/ambiguous"]
[5706,"Isopropyl (4-chlorophenyl)sulfonyl acetate","136991-36-1","Missing/ambiguous"]
[5729,"Fluroxypyr-2-butoxy-1-methylethyl","154486-27-8","Missing/ambiguous"]
[5757,"Isopropropyl,4-formylphenoxyl acetate","SRC003-42-0","Missing CAS, Missing/ambiguous"]
[5758,"1-(4-MePhSO2)-1-(iPrOCO)cyclopentane","SRC003-56-1","Missing CAS, Missing/ambiguous"]
[5759,"1-(4-MePhSO2)-1-(MeOCO)cyclohexane","SRC003-56-2","Missing CAS, Missing/ambiguous"]
[5760,"1,4-diAm-2,3-diPhO-9,10-anthracenedione","SRC003-67-2","Missing CAS, Missing/ambiguous"]
[5761,"1,4-diCL-2,3-diPhO-9,10-anthracenedione","SRC003-67-3","Missing CAS, Missing/ambiguous"]
[5762,"D5-azo Dye","SRC003-67-4","Missing CAS, Missing/ambiguous"]
[5764,"Limonene oxide (cis + trans)","SRC003-73-3","Missing CAS, Missing/ambiguous"]

{"sheet":"Manual check","index":2,"n_rows":640,"n_cols":15,"rows_kept":640}
["Original ID","CHEMICAL","CAS_NO","smiles_CIR_Name - Neutralized","smiles_CIR_CAS - Neutralized","smiles_CompTox_Name - Neutralized","smiles_CompTox_CAS - Neutralized","Equal (Tautomers)","Different (Tautomers)","Missing (Tautomers)","Notes","Synonyms","Warnings","Automated confirmations","Web confirmation"]
[64,"pencillamine","52-67-5",null,"CC(C)(S)C(N)C(=O)O",null,"CC(C)(S)C(N)C(=O)O",2,0,2,"Verify Name","d-penicillamine\npenicillamine\n52-67-5\ncuprimine\nd-(-)-penicillamine\n3-mercapto-d-valine\ndepen\ncuprenil\nd-penamine\n(-)-penicillamine\n(2s)-2-amino-3-methyl-3-sulfanylbutanoicacid\nd-mercaptovaline\nmercaptovaline\nartamine\ncupripen\ndepamine\nkuprenil\nmercaptyl\nmetalcaptase\npendramine\npenicillamin\nperdolat\ntrolovol\n(s)-3,3-dimethylcysteine\nd-valine,3-mercapto-\npenicilamina\npenicillaminum\nsufirtan\nbeta-thiovaline\ndimethylcysteine\nd-beta,beta-dimethylcysteine\nd-3-mercaptovaline\nbeta,beta-dimethylcysteine\nd-penicilamine\npenicillamina[dcit]\n(s)-penicillamin\n(s)-penicillamine\nd,3-mercaptovaline\nreducedpenicillamine\npenicillamina\n3-sulfanyl-d-valine\npenicilamina[inn-spanish]\npenicillaminum[inn-latin]\nreducedd-penicillamine\n(d)-penicillamine\ncopperpenicillaminate\npenicilllamine\nsufortan\nh-d-pen-oh\nd-penicyllamine\nunii-gnn1dv99gx\ncuprimine(tn)\nvaline,3-mercapto-,d-\n(s)-2-amino-3-mercapto-3-methylbutanoicacid\ndistamine\n3,3-dimethyl-d(-)-cysteine\nccris2904\nchebi:7959\nd-beta-mercaptovaline\ndepen(tn)\nhsdb3378\neinecs200-148-8\npenicillamine(cuprimine)\npenicillamine[usan:inn:ban:jan]\nnsc81549\ngnn1dv99gx\nalpha-amino-beta-methyl-beta-mercaptobutyricacid\n(2s)-2-amino-3-methyl-3-sulfanyl-butanoicacid\nchembl1430\ndistamine(*hydrochloride*)\npenicillamine(jan/usp/inn)\nmetalcaptase(*hydrochloride*)\n3-mercaptovaline\nncgc00024359-04\n3,3-dimethyl-d-cysteine\np-1280\nd-(-)-2-amino-3-mercapto-3-methylbutanoicacid\ndpenicillamine\nd3mercaptovaline\npenicillaminate,copper\nsr-01000000262\nbeta,betadimethylcysteine\nd(-)-penicillamine,99%,specifiedaccordingtoph.eur.andusp\npenicillamine,(s)\nnsc81549\nspectrum_000283\npenicillamine[usan:usp:inn:ban:jan]\nac1q1npa\nspectrum2_001029\nspectrum3_000541\nspectrum4_000470\nspectrum5_001196\nd08hzc\nd0e2gg\nepitopeid:113237\nac1l1l9z\nac1q1np9\nschembl4343\ndsstox_cid_17069\ndsstox_rid_79300\ndsstox_gsid_37069\nbspbio_002181\nkbiogr_000920\nkbioss_000763\ncid_92173\ndivk1c_000314\nspbio_001217\nd-penicillamine,98-101%\ngtpl7264\ndtxsid6037069\nbdbm39346\nctk1g9784\nkbio1_000314\nkbio2_000763\nkbio2_003331\nkbio2_005899\nkbio3_001681\nmolport-001-792-382\nninds_000314\nvvncnsjfmmfhpl-vkhmyheasa-n\nzinc114127\nbcp17247\nhy-b0300\nks-000001on\nstr02534\ntox21_110899\nanw-31517\nbdbm50217941\nmfcd00064302\ns1853\ntbb068824\nakos006237201\nzinc100509167\nam83710\ncs-2334\ndb00859\nmcule-5986342172\nrl03939\nrtr-032192\ncas-52-67-5\nidi1_000314\nsmp1_000042\nncgc00018283-01\nncgc00024359-05\nncgc00024359-06\naj-11468\nak170110\nan-17300\ncpd000653530\nkb-50430\nsam002548964\nab0010552\nab2000333\nls-161321\ntr-032192\nft-0624341\np0147\nen300-52608\nc07418\nd00496\nk-9599\n(2s)-2-amino-3-mercapto-3-methyl-butyricacid\n(2s)-2-amino-3-mercapto-3-methylbutanoicacid\n24217-ep2272832a1\n24217-ep2281815a1\n24217-ep2301933a1\n24217-ep2305640a2\n24217-ep2311827a1\n24217-ep2311842a2\n24217-ep2314590a1\n24217-ep2371811a2\n24217-ep2380872a1\n(2s)-2-azanyl-3-methyl-3-sulfanyl-butanoicacid\n064p302\nsr-01000000262-3\nsr-01000000262-4\nunii-2xop7y1h98componentvvncnsjfmmfhpl-vkhmyheasa-n\n(2s)-2-amino-3-mercapto-3-methyl-butyricacid;hydrochloride\n(2s)-2-amino-3-mercapto-3-methylbutanoicacid;hydrochloride\n(2s)-2-amino-3-methyl-3-sulfanylbutanoicacid;hydrochloride\n(2s)-2-azanyl-3-methyl-3-sulfanyl-butanoicacid;hydrochloride\ndepen;distamine;d-mercaptovaline;d-penamine;kuprenil;cuprimine\npenicillamine,europeanpharmacopoeia(ep)referencestandard\n(2s)-2-amino-3-methyl-3-sulfanylbutanoicacid3-sulfanyl-d-valine\npenicillamine,unitedstatespharmacopeia(usp)referencestandard\n16414-54-3\n771431-20-0\n937590-88-0\n","Stereochemistry removed",null,1]
[92,"hexabarital","56-29-1",null,"CN1C(C(C(NC1=O)=O)(C)C=2CCCCC2)=O",null,"CN1C(=NC(C(C1=O)(C)C=2CCCCC2)=O)O",2,0,2,"Verify Name","hexobarbital\nhexobarbitone\nmethylhexabital\nmethexenyl\nevipal\nevipan\nbarbidorm\ncyclopan\nenhexymal\nnoctivane\nsombucaps\nsombulex\nsomnalert\ncitopan\nmethylhexabarbital\ncyclonal\nhexabarbital\nnarcosan\ncitodon\ndorico\nhexanastaboral\n56-29-1\nhexenal(barbiturate)\nesobarbitale\nhexobarbitalum\nhexobarbitonum\nenhexymalum\nhexobarbital(van)\nesobarbitale[dcit]\n5-(1-cyclohexen-1-yl)-1,5-dimethylbarbituricacid\nesobarbitale[italian]\nhexobarbitalum[inn-latin]\n(+-)-hexobarbital\nsodiumhexobarbital\nn-methyl-5-cyclohexenyl-5-methylbarbituricacid\n1,5-dimethyl-5-(1-cyclohexenyl)barbituricacid\nhexobarbital[inn:jan]\nnsc71929\n5-(1-cyclohexen-1-yl)-1,5-dimethyl-2,4,6(1h,3h,5h)-pyrimidinetrione\n5-(1-cyclohexenyl-1)-1-methyl-5-methylbarbituricacid\n2,4,6(1h,3h,5h)-pyrimidinetrione,5-(1-cyclohexen-1-yl)-1,5-dimethyl-\neinecs200-264-9\nhexobarbital(jan/inn)\nbarbituricacid,5-(1-cyclohexen-1-yl)-1,5-dimethyl-\nai3-61892\nchebi:5706\nuyxawhwodhrrmr-uhfffaoysa-n\n5-(cyclohex-1-en-1-yl)-1,5-dimethylpyrimidine-2,4,6(1h,3h,5h)-trione\n5-(delta-1,2-cyclohexenyl)-5-methyl-n-methyl-barbitursaeure[german]\nncgc00159430-02\nncgc00159430-03\nncgc00159430-04\n5-(delta-1,2-cyclohexenyl)-5-methyl-n-methyl-barbitursaeure\n5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione\ndsstox_cid_3122\ndsstox_rid_76882\ndsstox_gsid_23122\n5-cyclohex-1-enyl-1,5-dimethyl-pyrimidine-2,4,6-trione\n5-(.delta.-1,2-cyclohexenyl)-5-methyl-n-methyl-barbitursaeure\n5-cyclohexenyl-1,5-dimethylpyrimidine-2,4,6(1h,3h,5h)-trione\n2,4,6(1h,3h,5h)-pyrimidinetrione,5-(1-cyclohexen-1-yl)-1,5-dimethyl\n5-cyclohex-1-en-1-yl-1,5-dimethylpyrimidine-2,4,6(1h,3h,5h)-trione\n5-cyclohex-1-en-1-yl-2-hydroxy-1,5-dimethylpyrimidine-4,6(1h,5h)-dione\ncas-56-29-1\nhexobarbital[usp:inn:ban:jan]\n7200-11-5\ncitopan(tn)\nevipan(tn)\n(+/-)-hexobarbital\nd00ets\nac1l1gb8\nbarbituricacid,5-dimethyl-\nchembl7728\noprea1_350917\nschembl29821\nmls001143909\ndtxsid9023122\nctk7h5490\nhms2272k03\nnsc71929\nhexobarbital1.0mg/mlinmethanol\ntox21_111661\ntox21_111662\nnsc-71929\nstk696034\nakos000355976\nakos016347605\ntox21_111661_1\napi0008991\ndb01355\nmcule-5992814246\nva10872\nac-16076\nls-24041\nsmr000473348\n5-cyclohexenyl-3,5-dimethylbarbituricacid\nft-0631247\nwln:t6vmvnvfhjd1f1f-al6utj\nc11723\nd01071\n5-(1-cyclohexenyl)-1,5-dimethylbarbituricacid\n5-(cyclohexen-1-yl)-1,5-dimethylbarbitursaeure\n5-(cyclohexen-1-yl)-1,5-dimethylbarbituricacid\n5-(cyclohex-1-enyl)-1,5-dimethyl-barbituricacid\n5-(delta.-1,2-cyclohexenyl)-5-methyl-n-methyl-barbitursaeure\n5-(cyclohex-1-en-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione\nhexobarbital,unitedstatespharmacopeia(usp)referencestandard\n2,6(1h,3h,5h)-pyrimidinetrione,5-(1-cyclohexen-1-yl)-1,5-dimethyl-\n5-(1-cyclohexenyl)-1,5-dimethyl-2,4,6(1h,3h,5h)-pyrimidinetrione\n2,4,6(1h,3h,5h)-pyrimidinetrione,5-(1-cyclohexen-1-yl)-1,5-dimethyl-,(+-)-\n630-97-7\n",null,null,1]
[108,"propanal,2,3-dihydroxy-,(ñ)-","56-82-6",null,"O=CC(O)CO",null,"O=CC(O)CO",2,0,2,"Verify Name","dl-glyceraldehyde\nglyceraldehyde\n2,3-dihydroxypropanal\nglycericaldehyde\nglycerose\nglycerinaldehyde\nglycerinformal\npropanal,2,3-dihydroxy-\n56-82-6\n2,3-dihydroxypropionaldehyde\ndl-glyc\naldotriose\nalpha,beta-dihydroxypropionaldehyde\n367-47-5\nglyceraldehyde,(+-)-\npropionaldehyde,2,3-dihydroxy-\naldose\nu1188\nd,l-glyceraldehyde\nnsc67934\nbrn0635844\nai3-24475\n(+/-)-glyceraldehyde\neinecs200-290-0\neinecs206-695-9\ndlg\n.alpha.,.beta.-dihydroxypropionaldehyde\n2,3-dihydroxy-propionaldehyde\nchebi:5445\nmnqzxjomywmbou-uhfffaoysa-n\nnsc67934\ng-4100\nd(+)-glyceraldehyde\nl(-)-glyceraldehyde\ngliceraldehido\nglyceraldehyd\nglycerinaldehyd\nglyzerinaldehyd\ndelta-glycerose\nanaldose\ndelta-aldotriose\ndelta-glyceraldehyde\nglyceraldehyde,dl-\ndl-glycericaldehyde\n(+-)-glyceraldehyde\ndihydroxypropionaldehyde\npropanal,3-dihydroxy-\npubchem13962\nac1q6png\nac1q7bph\nwln:vhyq1q\n2,3-dihydroxypropanal#\ndelta-(+)-glyceraldehyde\nbmse000225\nd09pnq\nac1l19xz\ndelta-2,3-dihydroxypropanal\npropionaldehyde,3-dihydroxy-\n3-01-00-03282(beilsteinhandbookreference)\nglyceraldehyde,(.+/-.)-\nchembl173813\nsgcut00090\nd-glyceraldehyde,95%\nbdbm16241\nchebi:15693\nctk1b6121\n(+/-)-2,3-dihydroxy-propanal\nmolport-001-779-924\ndelta-2,3-dihydroxypropionaldehyde\nto_000052\ndl-glyceraldehyde,>=90%(gc)\npropanal,2,3-dihydroxy-,(s)-\n7054af\nacm367475\nmfcd00064379\nnsc-67934\nstl453543\nakos015903493\nacn-049215\nfch1115781\nvc30506\nvc30584\nan-23564\nan-44993\nan-45321\nls-72118\nls-72119\nsc-04830\npropanal,2,3-dihydroxy-,(.+/-.)-\nab1002071\ntr-031924\nft-0625464\nc02154\ng-4140\n15816-ep2269989a1\n15816-ep2272834a1\n15816-ep2280001a1\n15816-ep2281818a1\n15816-ep2295406a1\n15816-ep2298772a1\n15816-ep2298776a1\n15816-ep2301929a1\n15816-ep2301935a1\n15816-ep2305674a1\n15816-ep2308510a1\n15816-ep2308839a1\n15816-ep2308840a1\n15816-ep2316470a2\nd-(+)-glyceraldehyde;(r)-2,3-dihydroxy-propanal\ni04-0064\ni14-2360\ni14-19194\n0559e623-301f-4ec2-bf9d-01f20a1706ff\n",null,null,1]
[142,"7,12-dime-benz(a)anthracene","57-97-6",null,"Cc1c2c(c(c3c1cccc3)C)c4c(cc2)cccc4",null,"Cc1c2c(c(c3c1cccc3)C)c4c(cc2)cccc4",2,0,2,"Verify Name","7,12-dimethylbenz[a]anthracene\n57-97-6\ndmba\n7,12-dimethylbenzanthracene\n7,12-dimethylbenz(a)anthracene\n9,10-dimethyl-1,2-benzanthracene\n7,12-dmba\n7,12-dimethylbenzo[a]anthracene\n7,12-dimethylbenzanthrancene\n7,12-dimethyltetraphene\n6,7-dimethyl-1,2-benzanthracene\n1,4-dimethyl-2,3-benzphenanthrene\n7,12-dimethyl-1,2-benzanthracene\n9,10-dimethylbenz(a)anthracene\n9,10-dimethyl-1,2-benzanthrazen\n7,12-dimethyl-1:2-benz(a)anthracene\nnci-c03918\nbenz(a)anthracene,7,12-dimethyl-\nbenz[a]anthracene,7,12-dimethyl-\ndimethylbenz[a]anthracene\n7,12-dimethylbenzo(a)anthracene\nrcrawastenumberu094\nccris274\nnsc408823\nunii-f05b6s0395\nhsdb2938\nchebi:254496\neinecs200-359-5\nrcrawasteno.u094\nbrn1912135\nai3-50460\n9,10-dimethyl-1,2-benzanthrazen[german]\n9,10-dimethylbenz[a]anthracene\narsrbnbhoadgju-uhfffaoysa-n\n7,12-dimethylbenz-[a]-anthracene\nf05b6s0395\ndsstox_cid_510\ndsstox_rid_75632\ndsstox_gsid_20510\n7,12-dimethylbenz(a)anthracene[polycyclicaromaticcompounds]\n7,12-dimethylbenz[a]anthracene,99%\ncas-57-97-6\nsmr000857253\n7,12dimethylbenzanthracene\ndimethylbenzanthrene\n9,2-benzanthrazen\n6,2-benzanthracene\n7,2-benzanthracene\n9,2-benzanthracene\n1,3-benzphenanthrene\ndmba/tpa/bpo/mnng\nacmc-1al9m\nepitopeid:119712\nac1l1ll0\n4-05-00-02587(beilsteinhandbookreference)\nmls001333155\nmls001333156\nmls002454381\n9,10-dimethyl-benzanthracene\nchembl329673\nbenz[a]anthracene,10-dimethyl-\ndtxsid1020510\nctk3j1421\n7,12-dimethylbenz[a]anthracene\n712-dimethyl-benzo[a]anthracene\nmolport-001-789-814\n7,12-dimethyl-benzo[a]anthracene\n7,12-dimethylbenzo[b]phenanthrene\nhms2232o09\nbenz[a]anthracene,7,12-dimethyl-\nks-000012np\nzinc1600920\n7,12-dimethyl-benzo[b]phenanthrene\n7,12-dimethylbenz(a)antracene\ntox21_201805\ntox21_300500\n6548af\nanw-32848\nls-235\nnsc408823\nakos015903190\naaa0001089\nmcule-2387982829\nnsc-408823\nrtr-020195\nvz20715\nwln:ld6b666jc1j1\nwln:ld6b666jf1g1\nncgc00091518-01\nncgc00091518-02\nncgc00091518-03\nncgc00091518-04\nncgc00091518-05\nncgc00091518-06\nncgc00091518-07\nncgc00254337-01\nncgc00259354-01\nan-41741\ncj-25751\nsc-88591\n7,12-dimethylbenz[a]anthracene,>=95%\n7,12-dimethylbenz[a]anthracene,>=98%\nd0677\nft-0621327\nst45022242\nc19488\n057d976\nc-15948\n7,12-dimethylbenz[a]anthracene,analyticalstandard\ni14-19219\ni14-23219\n7,12-dimethylbenzanthracene(seealsodmba/tpa/bpo,cas57-97-6anddmba/tpa)\n7,12-dimethylbenz[a]anthracenesolution,certifiedreferencematerial,1000mug/mlinmethanol\n",null,null,1]
[146,"17-a-methyltestosterone","58-18-4",null,"CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C(CC4)(C)O)C",null,"CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C(CC4)(C)O)C",2,0,2,"Verify Name","methyltestosterone\n17-methyltestosterone\n58-18-4\nandroid\ntestred\nmetandren\nandrosan\nandrosten\nmesterone\nvirilon\n17alpha-methyltestosterone\nmalestrone\nmastestona\nsynandrets\nsynandrotabs\ntesthormone\nandrometh\nanertan\ndumogran\nhomandren\nhormale\nmalogen\nmasenone\nmetestone\nmetrone\nnabolin\noraviron\nsteronyl\nsyndren\ntestora\noretonmethyl\nglosso-sterandryl\noreton-m\nm.t.mucorettes\nneo-hombreol-m\nnu-man\nandroid5\nandroid10\nandroid25\nmethitest\norchisterone-m\ntestovisdepot\nhomandren,tablets\nestratest\nmetiltestosterona\nnsc-9701\nglossosterandryl\nmethyltestosteronum\nanertan(tablets)\nhomandren(van)\ntestovis(tablet)\nandrosan(tablets)\nandrosan(van)\ntestoviron(van)\nanertan(van)\ntestoviron(tablet)\n17-methyltestosteron\n17beta-hydroxy-17-methylandrost-4-en-3-one\ncdb110\nmetiltestosterone[dcit]\nunii-v9efu16zif\nanertan,tablets\n17-hydroxy-17-methyl-3-keto-androstene-4\nandroid(tn)\nccris3723\nmethyltestosteronum[inn-latin]\nmetiltestosterona[inn-spanish]\nru24400\nhsdb3365\n17|a-methyltestosterone\n17alpha-methyl-3-oxo-4-androsten-17beta-ol\n17-beta-hydroxy-17-methylandrost-4-en-3-one\n4-androstene-17alpha-methyl-17beta-ol-3-one\neinecs200-366-3\nmethyltestosterone\nu2842\nv9efu16zif\n17alpha-methyl-delta-androsten-17beta-ol-3-one\nnsc139965\nbrn2057425\nandrost-4-en-3-one,17-hydroxy-17-methyl-,(17beta)-\npremarinwithmethyltestosterone\n(8r,9s,10r,13s,14s,17s)-17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one\nchebi:27436\noretonm\nandrosan,tablets\ngckmfjbgxuynag-hlxurnfrsa-n\ncomponentofestan\n4-androstene-17-alpha-methyl-17-beta-ol-3-one\nandrost-4-en-3-one,17beta-hydroxy-17-methyl-\nneo-hombreol[m]\n(17-beta)-17-hydroxy-17-methylandrost-4-en-3-one\nl589.372\nneo-homobreol(m)\nneo-homobreol[m]\ncomponentofgynetone\n17(alpha)-methyl-delta4-androsten-17(beta)-ol-3-one\nncgc00091009-03\ncomponentoftylosterone\ntestosterone,17-methyl-\ndsstox_cid_13664\ndsstox_rid_79089\ndsstox_gsid_33664\n17.alpha.-methyltestosterone\n17.alpha.-methyl-3-oxo-4-androsten-17.beta.-ol\nandrost-4-en-3-one,17-beta-hydroxy-17-methyl-\n(17beta)-17-hydroxy-17-methylandrost-4-en-3-one\n4-androstene-17.alpha.-methyl-17.beta.-ol-3-one\nandrost-4-en-3-one,17.beta.-hydroxy-17-methyl-\nandrost-4-en-3-one,17-hydroxy-17-methyl-,(17b)-\nmesteron\noretron\nmetiltestosterone\nestan(salt/mix)\nestratesths\nandroid-5\ncas-58-18-4\nestratest(salt/mix)\nestratesth.s.\n(8r,9s,10r,13s,14s,17s)-17-hydroxy-10,13,17-trimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3h-cyclopenta[a]phenanthren-3-one\nsmr000058528\nandroid-10\nandroid-25\n17beta-methyltestosterone\nwln:le5b666ovmutjaefqf-b&aef\n17beta-methyltestosterone\n17-alpha-methyltestosterone\ncomponentofgynetone(salt/mix)\nestratest-hs\nncgc00091009-04\nncgc00091009-05\n17-methyltestoster\ntestred(tn)\npremarinwithmethyltestosterone(salt/mix)\n17-hydroxy-17-methylandrost-4-en-3-one#\nmethyltestosterone[usp:inn:ban:jan]\nconjugatedestrogens/methyltestosterone\nmethyltestosterone[usan:inn:ban:jan]\n17-.beta.-hydroxy-17-methylandrost-4-en-3-one\nac1l1llr\nandrost-4-en-3-on-17.beta.-ol,17.alpha.-methyl\nandrost-4-ene-17.alpha.-methyl-17.beta.-ol-3-one\n17beta-hydroxy-17-methyl-4-androsten-3-one\nd0z1xd\n17beta-hydroxy-17-methyl-4-androsten-3-one\n17.beta.-hydroxy-17.alpha.-methylandrost-4-en-3-one\n17.alpha.-methyl-.delta.4-androsten-17.beta.-ol-3-one\nchembl1395\nschembl18657\n4-08-00-01010(beilsteinhandbookreference)\nconjugatedestrogensmixturewithmethyltestosterone\nmethyltestosteronemixturewithconjugatedestrogens\nmls000759474\nmls001424040\nmls002174282\ngtpl6945\ndtxsid1033664\nnsc9701\nmolport-003-933-840\n17-mt\nhms2051a14\nhms2272a06\nhy-a0121\nzinc3814422\ntox21_113161\ntox21_113162\ntox21_400058\nbdbm50410531\nlmst02020029\nmethyltestosterone(jp17/usp/inn)\nnsc139965\nakos015917317\ntox21_113162_1\nacn-031982\napi0003346\nccg-100871\ncs-5099\ndb06710\ngs-6594\nmcule-5274452426\nnc00121\nnsc-139965\nncgc00091009-01\nncgc00091009-06\nncgc00091009-07\n262423-02-9\nan-41744\ncj-10774\nkb-64817\nls-19506\nsc-16208\nsmr001261452\ntl8003728\nm0435\n17alpha-methyltestosterone,>=97.0%(hplc)\nc07198\nd00408\nmethyltestosterone(17alpha-methyltestosterone)\nab00443683-06\nab00443683-09\n17alpha-methyl-delta4-androsten-17beta-ol-3-one\n17alpha-methyltestosterone,solid(photosensitive)\n17alpha-methyl-delta(4)-androsten-17beta-ol-3-one\ni14-9703\n17(alpha)-methyl-delta(4)-androsten-17(beta)-ol-3-one\n17-alpha-methyltestosterone100microg/mlinacetonitrile\n17alpha-methyltestosterone,vetranal(tm),analyticalstandard\nmethyltestosterone,europeanpharmacopoeia(ep)referencestandard\nmethyltestosterone(17alpha-methyltestosterone)1.0mg/mlinacetonitrile\nmethyltestosterone,unitedstatespharmacopeia(usp)referencestandard\nmethyltestosteroneforsystemsuitability,europeanpharmacopoeia(ep)referencestandard\n(1s,2r,10r,11s,14s,15s)-14-hydroxy-2,14,15-trimethyltetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadec-6-en-5-one\n(1s,2r,10r,11s,14s,15s)-14-hydroxy-2,14,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one\n1050679-28-1\n1300-17-0\n17alpha-methyltestosteronesolution,1.0mg/mlin1,2-dimethoxyethane,ampuleof1ml,certifiedreferencematerial\n31745-24-1\n","Stereochemistry removed",null,1]
[158,"d-xylose","58-86-6","O=CC(O)C(O)C(O)CO","OC1C(C(C(OC1)O)O)O","OC1C(C(C(OC1)O)O)O","OC1C(C(C(OC1)O)O)O",3,1,0,"Verify Name","dl-xylose\n58-86-6\n25990-60-7\nd(+)-xylose\n(d)-xylose\nxylose,pure\naldehydo-d-xylose\n(2r,3s,4r)-2,3,4,5-tetrahydroxypentanal\nxylose(van)\n(+)-xylose\nd-xylo-pentose\nxylose[usan]\nfemano.3606\nccris1899\nxylo-pfan\nhsdb3273\n41247-05-6\nunii-a1ta934ako\na1ta934ako\nai3-19010\nd-xylose(linearform)\neinecs200-400-7\nxylose,d-\n2,3,4,5-tetrahydroxypentanal\nnsc122762\nbrn1562108\nalpha-?d-?xylopyranose\n141492-19-5\nxls\nc5h10o5\nlineard-xylose\nd-xylose,(s)\nxylose(9ci)\nac1ld8on\nd03rcg\ndl-xylose,>=99%\nschembl15776\ngtpl4724\n1-?nitro-propane?ion(1-?)\nchebi:15936\nctk1a5869\nmolport-004-780-293\npymyphuhkuwmla-vpeninkcsa-n\npharmakon1600-01300048\nhy-n0537\nks-00000v8s\nanw-33057\nmfcd00198055\nnsc760130\ns2124\nzinc18168715\nakos015893065\nam83959\nccg-231055\ncs-4824\ndb09419\nds-7921\nls-2333\nne11298\nnsc-760130\nrp21332\nrp21336\nrtr-020429\nwurcs=1.0/1,0/[o212h]\n25590-60-7\naj-70402\nak162858\ni454\nkb-50387\nkb-50498\nsc-52528\nab2000525\n(2r,3s,4r)-2,3,4,5-tetrahydroxypentana\nst24024597\nst24046412\nx0019\nec200-400-7\nx-7950\n88673-ep2269996a1\n88673-ep2275417a2\n88673-ep2284162a2\n88673-ep2284163a2\n88673-ep2301533a1\n88673-ep2301919a1\n88673-ep2305825a1\n88673-ep2371802a1\n98498-ep2277880a1\n98498-ep2292610a1\n98498-ep2301919a1\nab00375890_02\n4-01-00-04223(beilsteinhandbookreference)\nsr-05000002382\ni04-1477\nj-520430\nsr-05000002382-1\nw-202083\ni14-16507\n133-56-2\ndl-arabinose\n147-81-9\n9000-69-5\n2,3,4,5-tetrahydroxypentanal\nnsc1941\npymyphuhkuwmla-uhfffaoysa-n\nlyxose,d-\ndl-arabinose,98%\ncitruspectin\npectinose\npectinsugar\nd-arabinose\n58-86-6\nxylo-pfan\nmethoxypectin\ncalciumpectinate\nxylose,d-\n(+)-xylose\n1114-34-7\n20235-19-2\n53106-52-8\nc5h10o5\nlaevo-arabinose\nmethoxylpectin\n1-arabinose\nnsc-224430\npentose#\n1949-78-6\npentose(9ci)\nacmc-209eyu\nacmc-209gah\nacmc-1agxl\narabinose(l)\nac1q6pna\nacmc-209kp9\nacmc-209l5m\nacmc-209m7n\nacmc-209mn1\nac1l1a6b\nschembl10944\nacmc-20999l\nctk3j0967\nmolport-001-780-147\nhms3651o12\nacmc-209852\nks-000014rc\nnsc-1941\nnsc26213\nanw-21093\nnsc-26213\nnsc122762\nnsc224430\nsbb058710\nstl509322\n2,3,4,5-tetrakis(oxidanyl)pentanal\nwln:t6otjbqcqdqeq-l\nakos006227855\nakos016370670\nmcule-9562771067\nnsc-122762\ntra0076409\nvc30766\nan-43982\nan-46411\nk606\nsc-11379\nrt-004802\n4ch-016358\na825486\ni07-0105\ni14-1615\ni14-2331\ni14-8291\nd10c5f52-39ad-444c-b154-00e9820d8754\n","Stereochemistry removed",null,1]
[163,"GALACTOSE","59-23-4","O=CC(O)C(O)C(O)C(O)CO","OCC1C(C(C(C(O1)O)O)O)O","OCC1C(C(C(C(O1)O)O)O)O","OCC1C(C(C(C(O1)O)O)O)O",3,1,0,"Verify Name",null,"Stereochemistry removed",null,1]
[169,"1,2-propanediol-3-(2-tolyloxy)","59-47-2",null,"Cc1c(cccc1)OCC(O)CO",null,"Cc1c(cccc1)OCC(O)CO",2,0,2,"Verify Name","mephenesin\n59-47-2\ndecontractyl\ncresoxydiol\nmemphenesin\nmephedan\nmephenesine\nanatensin\ncresodiol\ndecontractil\ndioloxol\nlissenphan\nlissephen\nmefenesina\nmephelor\nmephesin\nmyodetensin\nmyodetensine\natensin\ncuraril\nsinan\nkresoxypropandiol\ncresoxypropanediol\ncresossidiolo\ncurarythan\nseconesinz\nspartoloxin\nspartoloxyn\ncurythan\ndaserol\ndiloxol\ndioloxal\nfindolar\nfindolor\nglukresin\nglykresin\nglyotol\nhalabar\nkinavosyl\nmephate\nmepherol\nmephosal\nmephson\nmervaldin\nmianesina\nmiolisina\nmoctynol\nmyanesin\nmyastenin\nmyocuran\nmyolysin\nmyosera\nmyoserol\nmyoxane\nnembusen\nnephelor\nnoctynol\noranixon\nprolaxin\nproloxin\nrelaxant\nrelaxar\nrelaxil\nrelaxyl\nrenarcol\nsansdolor\nsaserol\nspasmolyn\nstilalgin\nthioxidil\nthoxidil\ntokerol\ntolansin\ntolbart\ntolhart\ntolofren\ntolosate\ntoloxyn\ntolserol\ntolulexin\ntolulox\ntolydrin\ntolynol\ntolyspaz\ntorulox\nanxine\navesyl\navosyl\navoxil\navoxyl\ndaserd\nglytol\nmephin\nmyanil\nmyanol\nmyasin\nmyolax\nmyopan\nmyopen\nmyopna\nmyoten\nmyoxyl\nortol\nprolax\ntemian\ntolax\ntolcil\ntolsil\ntolsin\nxeral\nrhexregulans\nwalko-nesin\ncresossipropandiolo\nrhex'hobeino'\no-cresylglycerolether\nglycerylo-tolylether\nageflexcge\no-cresolglycerylether\n3-(2-methylphenoxy)propane-1,2-diol\n1-o-tolylglycerolether\n1,2-propanediol,3-(2-methylphenoxy)-\nmephenesinum\nmephensin\nmyolyseen\n3-(2-methylphenoxy)-1,2-propanediol\n3-(o-tolyloxy)propane-1,2-diol\no-kresol-glycerinaether\nbyk-m1\n3-o-toloxy-1,2-propanediol\nbdh312\n1-ortho-tolylglycerolether\n3-(2-tolyloxy)-1,2-propanediol\nwalconesin\n3-(o-methylphenoxy)-1,2-propanediol\nmycocuran\nmc2303\nrp3602\nsq1156\n3-(o-tolyloxy)-1,2-propanediol\nmefenesina[inn-spanish]\nmephenesine[inn-french]\nmephenesinum[inn-latin]\n1,2-dihydroxy-3-(2-methylphenoxy)propane\no-cresylalpha-glycerylether\na1141\nalpha-(o-tolyl)glycerylether\no-kresol-glycerinaether[german]\nc10h14o3\neinecs200-427-4\nnsc25234\nbrn2047373\nmefensina\nrexregulans\n1,2-propanediol,3-(o-tolyloxy)-\nwalco-nesin\no-cresyl.alpha.-glycerylether\n.alpha.-(o-tolyl)glycerylether\nnsc25234\nalpha,beta-dihydroxy-gamma-(2-methylphenoxy)propane\ncomponentoftolagesic\nncgc00094908-01\ndsstox_cid_3254\n1,3-(o-tolyloxy)-\ndsstox_rid_76942\nwln:q1yq1orb1\ndsstox_gsid_23254\n1,3-(2-methylphenoxy)-\n.alpha.,.beta.-dihydroxy-.gamma.-(2-methylphenoxy)propane\nmephenesin[inn:ban]\nsr-05000001772\nmephenesin[inn:ban:nf]\nrhex\ncas-59-47-2\ntolserol(tn)\nmephenesin(inn)\nprestwick_577\nmephenesin,98%\n1-(o-tolyl)glycerol\n1-(2-tolyl)glycerol\nspectrum_001402\nac1l1hbm\nprestwick0_000178\nprestwick1_000178\nprestwick2_000178\nprestwick3_000178\nspectrum2_001418\nspectrum3_000908\nspectrum4_001007\nspectrum5_001199\n(.+/-.)-mephenesin\n1-(2-methylphenyl)glycerol\nschembl25448\nbspbio_000075\nkbiogr_001473\nkbioss_001882\ndivk1c_000076\nspectrum1501140\nspbio_001496\nspbio_001996\nbpbio1_000083\nchembl229128\ndtxsid4023254\nchebi:94398\nctk8g0796\nhms500d18\nkbio1_000076\nkbio2_001882\nkbio2_004450\nkbio2_007018\nkbio3_001856\nks-00001fbq\nnsc8134\njwdycniaqwpbhd-uhfffaoysa-n\nmolport-003-666-365\nninds_000076\nhms1568d17\nhms1921j09\nhms2092f17\nhms2095d17\nhms3712d17\npharmakon1600-01501140\nebd70999\nhy-b1283\nnsc-8134\nnsc36140\nnsc50788\nglycerol-1-(o-tolyl)ether\ntox21_111356\nccg-38970\nnsc-25234\nnsc-36140\nnsc-50788\nnsc757857\nsbb056988\nstl430456\nakos015912866\ntox21_111356_1\napi0003293\ncs-5340\nmcule-1125347766\nnsc-757857\nidi1_000076\nncgc00094908-02\nncgc00094908-03\nncgc00094908-06\nbbv-39686544\n3-[(2-methylphenyl)oxy]propane-1,2-diol\nsbi-0051654.p002\nab1004849\nls-120750\nab00052216\nft-0628209\nst50407278\nw0052\n3-(2-methylphenoxy)-1,2-propanediol,98%\nd02595\nab00052216_04\nsr-05000001772-1\nsr-05000001772-2\nsr-05000001772-3\nbrd-a55469827-001-01-7\ni14-49387\n3-(2-methylphenoxy)-1,2-propanediol;mephenesin;3-(o-tolyloxy)-1,2-propanediol\n",null,null,1]
[173,"a-glucose-1-phosphate","59-56-3",null,"O=P(O)(O)OC1C(C(C(C(O1)CO)O)O)O",null,"O=P(O)(O)OC1C(C(C(C(O1)CO)O)O)O",2,0,2,"Verify Name","glucose-1-phosphate\nalpha-d-glucose-1-phosphate\ncoriester\n59-56-3\nalpha-glucose-1-phosphate\nglucose1-(dihydrogenphosphate)\nalpha-d-glucose1-phosphate\nalpha-d-glucopyranosylphosphate\nunii-cix3u01vau\nd-glucosealpha-1-phosphate\nd-glucose1-phosphate\ncix3u01vau\nalpha-d-glucopyranose,1-(dihydrogenphosphate)\nchebi:29042\nhxxfsfrbohsimq-vfuothlcsa-n\n1-o-phosphono-alpha-d-glucopyranose\nglucosemonophosphate\nglucose-1p\nalpha-d-glucose-1-p\ng1p\nglucosp\neinecs200-435-8\nd-glucose,1-(dihydrogenphosphate)\nalpha-glucose1-phosphate\nbmse000086\nepitopeid:145002\nalpha-d-glucopyranose1-(dihydrogenphosphate)\nac1l23fm\nschembl184242\n.alpha.-d-glucose1-phosphate\nbdbm23188\n68901-12-2(leadsalt)\nzinc4073375\n6736-77-2(di-potassiumsalt)\n6997-09-7(mono-calciumsalt)\ndb02843\n56401-20-8(di-hydrochloridesalt)\nft-0770405\nc00103\n.alpha.-d-glucose1-phosphatedisodiumsalthydrate\nalpha-d-glucopyranose,1-(dihydrogenphosphate)(9ci)\nglucopyranose,1-(dihydrogenphosphate),alpha-d-(8ci)\n[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-y\n[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]dihydrogenphosphate\n[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]dihydrogenphosphate\n[(2r,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]dihydrogenphosphate\n{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonicacid\n27133-73-9\n28875-57-2\n29698-82-6\n3616-38-4\n50319-10-3\n7279-37-0\n779262-37-2\n","Stereochemistry removed",null,1]
[223,"n-methylo-(3-isopropylphenyl)carbamate","64-00-6",null,"CNC(=O)Oc1cc(ccc1)C(C)C",null,"CNC(=O)Oc1cc(ccc1)C(C)C",2,0,2,"Verify Name","m-cumenylmethylcarbamate\n3-isopropylphenylmethylcarbamate\nm-cumenolmethylcarbamate\nhercules5727\ncompound10854\nm-isopropylphenyln-methylcarbamate\nunioncarbide10854\nm-isopropylphenylmethylcarbamate\n64-00-6\nunioncarbideuc-10,854\ncaswellno.512a\nherculesac5727\noms162\nm-isopropylphenoln-methylcarbamate\nmethylcarbamicacidm-cumenylester\nn-methylm-isopropylphenylcarbamate\nn-methyl3-isopropylphenylcarbamate\noms-631\nher.5727\nphenol,m-isopropyl-,methylcarbamate\nent25,500\nunii-27502g8uzx\nac5727\noms-15\ncarbamicacid,methyl-,m-cumenylester\nuc10854\nhsdb6376\nphenol,3-(1-methylethyl)-,methylcarbamate\n3-isopropylphenyln-methylcarbamate\n3-isopropylphenyl-n-methylcarbamate\nn-methyl-m-isopropylphenylcarbamate\neinecs200-572-3\nn-methyl-3-isopropylphenylcarbamate\nh5727\nh8757\nn-methylcarbamate,m-1-propylphenyl\nrcrawasteno.p202\nepapesticidechemicalcode047801\ncarbamicacid,n-methyl-,3-isopropylphenylester\n3-(1-methylethyl)phenolmethylcarbamate\n3-(1-methylethyl)phenylmethylcarbamate\nbrn2051096\nm-kumenylesterkyselinymethylkarbaminove\ncarbamicacid,methyl-,3-(1-methylethyl)phenylester\nai3-25500\nm-isopropylphenolmethylcarbamate\ngykxqtkswlauit-uhfffaoysa-n\n27502g8uzx\nm-kumenylesterkyselinymethylkarbaminove[czech]\nh-8,757\n1pc\n(3-propan-2-ylphenyl)n-methylcarbamate\nphenol,3-(1-methylethyl)-,methylcarbamate\n3-isopropylphenyl-methylcarbamat\nent25,543\nherculesac-5727\nac1l1lw3\nac1q40qq\nac1q60so\ndsstox_cid_20324\ndsstox_rid_79478\ndsstox_gsid_40324\noms15\nschembl5933261\nchembl2046819\ndtxsid1040324\nzinc397931\ntox21_302006\nent25500\nakos029952643\n(3-propan-2-ylphenyl)n-methylcarbamate\ncas-64-00-6\n3-(propan-2-yl)phenyln-methylcarbamate\nncgc00255448-01\nls-50095\nkb-207511\nh-5727\nphenol,3-(1-methylethyl)-,1-(n-methylcarbamate)\n",null,null,1]
[298,"1,1-dichloro-2,2-bis(ethylphenyl)ethane","72-56-0","CCc1c(cccc1)C(c2c(cccc2)CC)C(Cl)Cl","CCc1ccc(cc1)C(c2ccc(cc2)CC)C(Cl)Cl",null,"CCc1ccc(cc1)C(c2ccc(cc2)CC)C(Cl)Cl",2,1,1,"Verify Name","perthane\nethylan\np,p'-ethyl-ddd\ndi(p-ethylphenyl)dichloroethane\n72-56-0\np,p-ethylddd\np,p'-ethylddd\n1,1-dichloro-2,2-bis(p-ethylphenyl)ethane\ncaswellno.337\ndiethyl-diphenyldichloroethane\nnci-c02868\nunii-l0q9drk4w8\n1,1-dichloro-2,2-bis(4-ethylphenyl)ethane\nccris292\nethane,1,1-dichloro-2,2-bis(p-ethylphenyl)-\nhsdb4009\n1,1-bis(p-ethylphenyl)-2,2-dichloroethane\n2,2-bis(p-ethylphenyl)-1,1-dichloroethane\n2,2-dichloro-1,1-bis(p-ethylphenyl)ethane\nq-137\neinecs200-785-1\nethane,2,2-bis(p-ethylphenyl)-1,1-dichloro-\nent17,082\nepapesticidechemicalcode032101\nbrn2054366\nl0q9drk4w8\nbenzene,1,1'-(2,2-dichloroethylidene)bis[4-ethyl-\n1,1-bis(ethylphenyl)-2,2-dichloroethane\na,a-dichloro-2,2-bis(p-ethylphenyl)ethane\nai3-17082\nmls002152919\n1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene\nbenzene,1,1'-(2,2-dichloroethylidene)bis(4-ethyl-\nsmr001224519\ndsstox_cid_589\ndsstox_rid_75676\ndsstox_gsid_20589\n1,1'-(2,2-dichloroethane-1,1-diyl)bis(4-ethylbenzene)\ncas-72-56-0\nperthane(tm)\nac1l1m7r\ncid_6295\ndiethyldiphenyldichloroethane\nschembl117710\ndiethyldiphenyldichloroethane\nchembl551883\ndtxsid4020589\nbdbm74252\nqfmdftqojhfvnr-uhfffaoysa-n\nzinc2507810\ntox21_201635\ntox21_302883\nent-17082\nperthane10microg/mlincyclohexane\n2,2-dichloro-bis(p-ethylphenyl)ethane\nbis(p-ethylphenyl)-2,2-dichloroethane\nls-1617\ndi(p-ethylphenyl)dichloroethane\nncgc00091457-01\nncgc00091457-02\nncgc00256401-01\nncgc00259184-01\nperthan,pestanal(r),analyticalstandard\nft-0603275\nq137\n1,1-bis-(4-ethylphenyl)-2,2-dichloroethane\n2,2-dichloro-1,1-bis(p-ethylphenyl)ethane\nalpha,alpha-dichloro-2,2-bis(p-ethylphenyl)ethane\nc-19095\n1,1'-(2,2-dichloroethylidene)bis(4-ethylbenzene)\n4,4'-(2,2-dichloroethane-1,1-diyl)bis(ethylbenzene)\n.alpha.,.alpha.--dichloro-2,2-bis(p-ethylphenyl)ethane\n1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethyl-benzene\n1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene#\n1-[2,2-bis(chloranyl)-1-(4-ethylphenyl)ethyl]-4-ethyl-benzene\n",null,null,1]
[333,"formamideoxime","75-17-2","NC=NO","C=NO",null,"C=NO",2,1,1,"Verify Name","formaldoxime\nformoxime\nformaldehyde,oxime\n75-17-2\nformaldehydeoxime\nnitrone\nmethyleneaminen-oxide\nccris7741\nn-methylidenehydroxylamine\neinecs200-845-7\nbrn1697325\nunii-420jfm0z1q\n420jfm0z1q\nformaldoxim\noximeether\nmethanimine,n-oxide\nch2=noh\nac1l1mc3\n4-01-00-03055(beilsteinhandbookreference)\nchembl324784\ndtxsid9058785\nctk1d1966\nctk2h8001\nsqdfhqjtawcfib-uhfffaoysa-n\nanw-43944\nakos009031115\nls-69396\nrt-003301\nf0044\nft-0693372\n113872-14-3\n463-62-7\n",null,null,0]
[404,"benzenemethanol,4-amino-.alpha.,.alpha.-bis(4-a","76-82-4",null,"Cc1c(ccc(c1)C(O)(c2ccc(cc2)N)c3ccc(cc3)N)N",null,"Cc1c(ccc(c1)C(O)(c2ccc(cc2)N)c3ccc(cc3)N)N",2,0,2,"Verify Name","c.i.basicviolet14,carbinol\n76-82-4\n(4-amino-3-methylphenyl)-bis(4-aminophenyl)methanol\ntriamino-diphenyl-tolylcarbinol\nac1q2h7k\nmethanol,bis(p-aminophenyl)(4-amino-m-tolyl)-\nac1l24r5\nschembl3355114\nctk5e3477\ndtxsid90226898\n4-amino-alpha,alpha-bis(4-aminophenyl)-3-methylbenzenemethanol\nzinc4707269\nbenzenemethanol,4-amino-alpha,alpha-bis(4-aminophenyl)-3-methyl-\nbenzenemethanol,4-amino-a,a-bis(4-aminophenyl)-3-methyl-\n",null,null,1]
[408,"barbituricacid,5-me-5-phenyl-","76-94-8",null,"CC1(C(NC(NC1=O)=O)=O)c2ccccc2",null,"CC1(C(NC(NC1=O)=O)=O)c2ccccc2",2,0,2,"Verify Name","heptobarbital\nmephebarbital\neudan\nphenylmethylbarbituricacid\nrutonal\nmethylphenylbarbital\n5-methyl-5-phenylbarbituricacid\n5-methyl-5-phenylbarbityricacid\n76-94-8\n5-phenyl-5-methylbarbituricacid\nnsc80543\nbarbituricacid,5-methyl-5-phenyl-\nunii-gfr227x6yy\n5-methyl-5-phenyl-2,4,6(1h,3h,5h)-pyrimidinetrione\neinecs200-994-8\nbrn0201825\ngfr227x6yy\n2,4,6(1h,3h,5h)-pyrimidinetrione,5-methyl-5-phenyl-\nchembl329617\n5-methyl-5-phenyl-1,3-diazinane-2,4,6-trione\n5-methyl-5-phenyl-barbituricacid\nc11h10n2o3\n5-methyl-5-phenyl-pyrimidine-2,4,6-trione\n5-methyl-5-phenylpyrimidine-2,4,6(1h,3h,5h)-trione\nac1q2cbo\nd09gil\nac1l24rb\nschembl77738\n5-24-09-00283(beilsteinhandbookreference)\ndtxsid00226900\nchebi:134900\nlsaozcakuiansq-uhfffaoysa-n\nnsc80543\nzinc4217285\nbdbm50099127\nnsc-80543\nstk299179\nakos027381621\nls-24631\nft-0669128\n2,4,6-trioxo-5-methyl-5-phenylhexahydropyrimidine\n2,6(1h,3h,5h)-pyrimidinetrione,5-methyl-5-phenyl-\n2,4,6(1h,3h,5h)-pyrimidinetrione,5-methyl-5-phenyl-(9ci)\nphenylmethylbarbituricacid(5-methyl-5-phenylpyrimidine-2,4,6(1h,3h,5h)-trione)\n",null,null,1]
[412,"2-ethyl-2-phenylgluterimide","77-21-4",null,"CCC1(C(NC(CC1)=O)=O)c2ccccc2",null,"CCC1(C(NC(CC1)=O)=O)c2ccccc2",2,0,2,"Verify Name","glutethimide\nglutethimid\nglutetimid\ndoriden\nnoxiron\nglutathimid\nglutetimide\ngluthetimide\nsarodormin\nelrodorm\nnoxyron\nglimid\nalfimid\nondasil\nrigenox\ngimid\ndoriden-sed\n2-ethyl-2-phenylglutarimide\n77-21-4\nglutethimidum\nglutetimidu\nglutetimida\ndorimide\nglutetimide[dcit]\ndl-glutethimide\nglutarimide,2-ethyl-2-phenyl-\nglutetimidu[polish]\n2-phenyl-2-ethylglutaricacidimide\n3-ethyl-3-phenyl-2,6-dioxopiperidine\n3-ethyl-3-phenyl-2,6-piperidinedione\n3-phenyl-3-ethyl-2,6-dioxopiperidine\n3-ethyl-3-phenyl-2,6-diketopiperidine\n3-phenyl-3-ethyl-2,6-diketopiperidine\nglutethimidum[inn-latin]\nglutetimida[inn-spanish]\ncc11511\n2,6-piperidinedione,3-ethyl-3-phenyl-\nphenyl-aethyl-glutarsaeureimid\nglutethimide[inn:ban]\nalpha-ethyl-alpha-phenylglutarimide\nalpha-phenyl-alpha-ethylglutarimide\nnsc95239\ndoriden(tn)\n3-ethyl-3-phenylpiperidine-2,6-dione\nphenyl-aethyl-glutarsaeureimid[german]\nalpha-phenyl-alpha-ethylglutaricacidimide\nhsdb3088\neinecs201-012-0\nglutethimide(jan/inn)\nai3-50601\nchebi:5439\ndeano.2550\n.alpha.-ethyl-.alpha.-phenylglutarimide\n.alpha.-phenyl-.alpha.-ethylglutarimide\nncgc00159407-02\nncgc00159407-04\ndsstox_cid_3102\n.alpha.-phenyl-.alpha.-ethylglutaricacidimide\ndsstox_rid_76876\ndsstox_gsid_23102\ncas-77-21-4\nglutethamide\nglutethimide[usp:inn:ban]\nac1q2spk\n2,3-ethyl-3-phenyl-\nd0z9nz\nac1l1g1n\nchembl1102\nschembl113708\nwln:t6vmvtjd2dr\ngtpl7192\ndtxsid1023102\njmbqkkajikawkf-uhfffaoysa-n\nnsc95239\ntox21_111641\nnsc-95239\nakos015897742\ntox21_111641_1\napi0004772\ndb01437\n3-ethyl-3-phenyl-piperidine-2,6-dione\nncgc00159407-03\nac-16077\nan-25304\nls-72074\nft-0657714\nlt00114358\nc07489\nd00532\n056g091\ndoriden|||noxiron|||2-ethyl-2-phenylglutarimide\n3-ethyl-6-hydroxy-3-phenyl-2,3,4,5-tetrahydropyridin-2-one\n",null,null,1]
[480,"oxytetracylcine","79-57-2",null,"CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C3C(C(c4c(C3=O)c(O)ccc4)(C)O)C2O",null,"CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4)(C)O)C2O",2,0,2,"Verify Name","oxytetracycline\nterramycin\n79-57-2\noxytetracyclin\noxitetraciclina\nterrafungine\noxytetracyclinum\noxitetracyclin\nadamycin\nryomycin\noxitetracyclinum\noxymycin\noxyterracin\noxyterracine\noxyterracyne\nsolkaciclina\ndabicycline\nfanterrin\ngeotilin\nlenocycline\noksisyklin\nproteroxyna\nriomitsin\nterramitsin\nursocyclin\nursocycline\noxypam\ntarocyn\ntarosin\nteravit\ntetran\nantibiotictm25\nliquamycinla200\noxytetracycline(anhydrous)\nbiostatpa\noxytetracyclineanhydrous\noxytetracyclineamphoteric\noxysteclin\noxymykoin\nstevacin\nvendarcin\noxytetracid\n5-hydroxytetracycline\nossitetraciclina\npennox200\noxy-kesso-tetra\nterramycinim\noxytetracycline[inn]\nberkmycen\nbiostat\ngeomycin\nimperacin\nmycoshieldtmqthc20\nterramycinq50\ndalimycin\noxytetracyclinecalcium\nmacocyn\nmedamycin\nossitetraciclina[dcit]\ntetracycline,5-hydroxy-\noxytetracycline(terramycin)\nunii-slf0d9077s\noxytetracyclinum[inn-latin]\nmepatar\nstecsolin\noxydon\noxitetraciclina[inn-spanish]\ngeomycin(streptomycesvimosus)\nhsdb3145\nhydroxytetracycline\nnci-c56473\notc(antibiotic)\noxytetracyclinebase\neinecs201-212-8\nla200\noxacycline\nunimycin\nbrn2714587\nc22h24n2o9\nmls000069429\nslf0d9077s\nchebi:27701\n6153-64-6(di-hydrate)\n2058-46-0(mono-hydrochloride)\noxytetracycline(internaluse)\ntm5\n(4s,4ar,5s,5ar,6s,12as)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide\n2-naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-\n2-naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-,(4s,4ar,5s,5ar,6s,12as)-\n2-naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-,(4s-(4alpha,4aalpha,5alpha,5aalpha,6beta,12aalpha))-\n2058-46-0\nsmr000059000\n7179-50-2(calcium(1:1)salt)\nnsc-9169\n6153-65-7(di-hydrochloridesalt,di-hydrate)\noxitetracycline\nogyeselectivesupplement;oxytetracycline\nterramicinaoftalmica\n79-57-2(anhydrous)\notc\noxytetracycline,'canbeusedassecondarystandard'\ngeomycin(streptomycesrimosus)\nembryostat\ngalsenomycin\nsr-01000003006\nhydroxytetracyclinum\noxytetracycline,(s)\nac1nqxty\nac1nqzmp\n5-hydroxy-tetracycline\nspectrum_001055\nopera_id_661\nac1l1mwd\nprestwick0_000307\nprestwick1_000307\nprestwick2_000307\nprestwick3_000307\nspectrum2_000988\nspectrum3_000536\nspectrum4_000466\nspectrum5_001148\noxytetracycline(terramycin)\nschembl2899\nchembl1517\ndsstox_cid_14260\ndsstox_rid_79133\ndsstox_gsid_34260\nbspbio_000274\nbspbio_002151\nkbiogr_000912\nkbioss_001535\n4-14-00-02633(beilsteinhandbookreference)\ndivk1c_000225\nschembl560497\nspbio_001055\nspbio_002493\nbpbio1_000302\nchembl461529\nchembl1401333\ndtxsid1034260\nnsc9169(hcl)\nschembl13169109\nschembl13782651\nctk6h8882\nkbio1_000225\nkbio2_001535\nkbio2_004103\nkbio2_006671\nkbio3_001651\nbib6305\niwvcmvbtmgnxqd-pxolediwsa-n\nmolport-002-524-946\nmolport-005-934-326\nninds_000225\nowfjmivzysdulz-pxolediwsa-n\nbdbm241973\n(2e,4s,4ar,5s,5ar,6s,12as)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione\n(2z,4s,4ar,5s,5ar,6s,12as)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione\nhy-b0275\ntox21_302380\nlmpk07000005\ns1773\nzinc95626782\n69766-62-7(hydrochloridesalt)\nakos015951277\nakos015961254\nzinc100026355\nzinc100303028\napi0003726\ncs-2265\ndb00595\nebd2197445\nmcule-5398230579\ncas-79-57-2\nidi1_000225\nncgc00091268-04\nncgc00091268-05\nncgc00091268-06\nncgc00091268-07\nncgc00091268-08\nncgc00091268-09\nncgc00091268-11\nncgc00091268-12\nncgc00188956-01\nncgc00255168-01\nac-12777\nac-13466\nan-23998\nbc202856\ne703\nls-93860\ns470\nsbi-0051473.p003\n64038-91-1(sulfate(2:1))\nab1009358\nab1009512\nft-0603288\nst50307307\n3,5,6,10,12,12a-hexahydroxy-6-methyl-\nc06624\noxytetraselectivesupplement,formicrobiology\nab00053514_04\nab00053514_05\nab01274728-01\nab01274728_02\n135740-ep2275422a1\n135740-ep2292608a1\n(4s,4ar,5s,5ar,6s,12as)-4-(dimethylamino)-\nsr-01000003006-5\n1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene\noxytetracycline,europeanpharmacopoeia(ep)referencestandard\n(2z,4s,4ar,5s,5ar,6s,12as)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione\n(4s,4ar,5s,5ar,6s,12as)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione\n(4s,4ar,5s,5ar,6s,12as)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4a,5a,6,12a-tetrahydrotetracene-1,3,12(2h,4h,5h)-trione\n(4s,4ar,5s,5ar,6s,12as)-4-(dimethylamino)-3,5,6,10,11,12a-hexahydroxy-6-methyl-1,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide\n(4s,4ar,5s,5ar,6s,12as)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide\n(4s,5s,6s,12as,4ar,5ar)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-4,5,6,12a,4a,5a-hexahydronaphthacene-2-carboxamide\n102287-29-6\n103351-03-7\n105145-10-6\n106216-57-3\n1135442-00-0\n1256964-22-3\n1405-95-4\n2-naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-,(4s-(4-alpha,4a-alpha,5-alpha,5a-alpha,6-beta,12a-alpha))-\n21645-09-0\n52214-46-7\n856305-69-6\n96310-42-8\n","Stereochemistry removed",null,1]
[490,"benzenesulfonamide,4-amino-n-[5-(1-methylethyl)","80-34-2",null,"CC(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",null,"CC(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",2,0,2,"Verify Name","glyprothiazol\niptd\nglyprothiazole\nglyprothizolum\npasit\nglyprothiazol[inn:dcf]\nsulfaisopropylthiadiazole\n80-34-2\ngliprotiazol[inn-spanish]\nunii-1804fjn4mo\nglyprothiazolum[inn-latin]\nrp2254\nvk57\n1804fjn4mo\nvk-57\nsulfanilamide,n(sup1)-(5-isopropyl-1,3,4-thiadiazol-2-yl)-\n4-amino-n-(5-(1-methylethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide\nglyprothiazolum\ngliprotiazol\nn(sup1)-(5-isopropyl-1,3,4-thiadiazol-2-yl)sulfanilamide\nbenzenesulfonamide,4-amino-n-(5-(1-methylethyl)-1,3,4-thiadiazol-2-yl)-\nglyprothizol\nglyprothiazol(inn)\n2254r.p.\nac1l25f0\nchembl450117\nschembl1814714\nzinc1518\ndtxsid80229994\nakos002666351\nrp-2254\n2254r.p\nls-31266\nd02424\n4-amino-n-(5-isopropyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide\n4-amino-n-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide\n",null,null,0]
[501,"PREG-4-ENE-3,20-DIONE, 11-HYDROXY-, (11.alpha.)-","80-75-1",null,"CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,2]
[569,"METHYL AZINPHOS","86-50-0",null,"COP(=S)(OC)SCn1c(c2c(nn1)cccc2)=O",null,null,1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[579,"n-1-napthylthiourea","86-88-4",null,"NC(=S)Nc1c2c(ccc1)cccc2",null,"NC(=S)Nc1c2c(ccc1)cccc2",2,0,2,"Verify Name","1-(1-naphthyl)-2-thiourea\nantu\n86-88-4\n1-naphthylthiourea\ndirax\nanturat\nrattrack\nsmeesana\nalrato\nbantu\nkripid\nkrysid\nkillkantz\nkrysidpi\nrat-tu\nnaphtox\nchemical109\nn-1-naphthylthiourea\nthiourea,1-naphthalenyl-\n1-naphthalenylthiourea\nalpha-naphthylthiourea\n1-naftylthioureum\nalpha-naphthylthiourea\n1-naftil-tiourea\nusafek-p-5976\n1-(1-naphthyl)thiourea\n1-naphthyl(2-thiourea)\n1-naphthyl-thiouree\n1-naphthalen-1-ylthiourea\nalphanaphthylthiourea\nurea,1-(1-naphthyl)-2-thio-\nn-(1-naphthyl)-2-thiourea\na-naphthylthiourea\n.alpha.-naphthylthiourea\n1-naphthyl-thioharnstoff\nrcrawastenumberp072\n1-naphthylthiourea\nalpha-naphthothiourea\nalphanaphtylthiouree\ncaswellno.028\nunii-uky0h6xj4j\nalpha-naphthylthiocarbamide\n1-naftylthioureum[dutch]\nnsc3287\n1-naftil-tiourea[italian]\nantu[iso:bsi:iso]\n1-(naphthalen-1-yl)thiourea\nthiourea,n-1-naphthalenyl-\nu5227\n1-naphthyl-thiouree[french]\nalphanaphtylthiouree[french]\nalpha-naftylthiomocovina[czech]\nhsdb1512\nnaphthalen-1-ylthiourea\n.alpha.-naphthothiourea\n1-naphthyl-thioharnstoff[german]\nu5227\nnaphthalen-1-yl-thiourea\nalpha-naphthalthioharnstoff[german]\neinecs201-706-3\nun1651\nuky0h6xj4j\nrcrawasteno.p072\nepapesticidechemicalcode116701\nbrn0778118\n.alpha.-naphthylthiocarbamide\nai3-07550\nchebi:82256\npivqqunoticcsa-uhfffaoysa-n\nu-5227\namino(naphthylamino)methane-1-thione\nalpha-naftylthiomocovina\nalpha-naphthalthioharnstoff\nnaphthylthiourea\nnaphthylisothiourea\nac1lehyr\n1-naphthyl-2-thiourea\nac1q7egs\ndsstox_cid_919\n1-naphthylthiovrea\n.alpha.-naphthylthiourea\n(naphthalen-1-yl)thiourea\nwln:l66jbmyzus\ndsstox_rid_75866\ndsstox_gsid_20919\n4-12-00-03086(beilsteinhandbookreference)\nschembl260429\nchembl3182781\ndtxsid8020919\nnsc3287\nmolport-001-815-851\nnsc-3287\nzinc3875603\ntox21_203002\n1080af\nbbl007613\nsbb016914\nstk365636\nakos003620054\nnaphthylthiourea[un1651][poison]\nls-7537\nmcule-3312237822\nun1651\nvz20796\ncas-86-88-4\nnaphthylthiourea[un1651][poison]\nncgc00160586-01\nncgc00260547-01\nantu,pestanal(r),analyticalstandard\nkb-08047\nsc-64749\ntr-027048\nft-0608139\nn0071\nst45021991\nt8232\nc19136\na841869\ni14-19922\n7h-pyrrolo[2,3-d]pyrimidin-4-amine,n-methyl-n-[(3\nf9995-0305\nphe-val-pro-ile-phe-thr-his-ser-glu-leu-gln-lys-ile-arg-glu-lys-glu-arg-asn-lys-gly-gln\n",null,null,1]
[580,"7-methylquinazoline-2,4-dione","86-96-4","Cc1cc2c(cc1)c(=O)[nH]c(=O)[nH]2","O=c1[nH]c2c(c([nH]1)=O)cccc2",null,"O=c1[nH]c2c(c([nH]1)=O)cccc2",2,1,1,"Verify Name","benzoyleneurea\n86-96-4\nquinazoline-2,4(1h,3h)-dione\n2,4(1h,3h)-quinazolinedione\n2,4-dihydroxyquinazoline\nquinazolinedione\nbenzouracil\nquinazoline-2,4-diol\nquinazoline-2,4-dione\n1h-quinazoline-2,4-dione\nurea,benzoylene-\n1,2,3,4-tetrahydroquinazoline-2,4-dione\n2-keto-4-quinazolinone\n2,4-dioxotetrahydroquinazoline\nnsc2108\n(1h,3h)quinazolinedione-2,4\n(1h,3h)-quinazoline-2,4-dione\neinecs201-712-6\n(1h,3h)quinazolinedione-2,4[french]\nai3-28016\nchembl421646\n1h,3h-quinazoline-2,4-dione\nunii-18k00a531c\nsdqjtwbnwqable-uhfffaoysa-n\n1,3-dihydroquinazoline-2,4-dione\n18k00a531c\nbenzoyleneurea\nhydroxyquinazolone\nhydroxyquinazolinone\n4-hydroxyquinazolone\nbenzoylenurea\npubchem9671\nquinazolin-2,4-diol\n2,4-quinazolinedione\nbenzoyleneurea,97%\n24-dihydroxyquinazoline\nacmc-209qcj\n2,3h)-quinazolinedione\nmaybridge1_000647\n2,4-dihydroxyquinazoline\nd06xvv\nwln:t66bmvmvj\nac1l20bu\noprea1_764687\nschembl37945\nksc657i5h\nmls000762991\ndihydroxybenzopyrimidine\n(1h)-quinazolin-2,4-dione\n2.4(1h,3h)-quinazolinedione\n2,4(1h,3h)-quinazalinendione\nammd00045\nctk4a6497\nctk5f7453\nhms543f09\n2,4(1h,-3h)-quinazolinedione\ndtxsid30235343\nnsc2108\n2,4(1h,3h)-quinazolinedione\n2,4-dihydroxy-1,3-benzodiazine\nmolport-000-514-880\nmolport-001-790-641\nhms1759i11\nhms2803e07\nzinc150158\nnsc-2108\nanw-38417\nbbl025915\nbdbm50106196\nhts009207\nmfcd00047588\npdsp1_000044\npdsp2_000044\nsbb087583\nstk336418\nstk574725\nwt2129\n86-96-424-dihydroxyquinazoline\nakos000120498\nakos003615369\nakos024197169\nac-3003\nan-3400\ncm14472\nfs-2867\nmcule-2568324638\nsdccgmls-0065795.p001\nks-00000e15\n1,3,4-tetrahydroquinazoline-2,4-dione\nncgc00246521-01\naj-12609\nak-26998\nbp-12382\ncj-01104\nkb-47729\nn710\nsc-07062\nsmr000439476\nsy003536\nzb005069\n1h-quinazoline-2,4-dione(benzoylenurea)\nab0015986\nab1001651\ndb-001067\nls-140105\ntl8005638\n(1h,4\nam20041255\nb3381\nft-0622755\nst50165565\nt8235\nvu0350055-3\na10353\nm-2995\nab00174126-06\n047d588\nah-740/03933012\ns14-0939\nf1962-0235\nf3173-0012\n1094158-39-0\ninchi=1/c8h6n2o2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4h,(h2,9,10,11,12\n",null,null,0]
[641,"5-methyl-2-(1-methylethyl)-cyclohexanone(tr*)","89-80-5",null,"CC1CC(C(CC1)C(C)C)=O",null,"CC1CC(C(CC1)C(C)C)=O",2,0,2,"Verify Name","(-)-menthone\nl-menthone\nmenthone\n14073-97-3\ntrans-menthone\np-menthone\nneomenthone\n(2s,5r)-2-isopropyl-5-methylcyclohexanone\nmenthoneracemic\ntrans-p-menthan-3-one\nl-menthan-3-one\n(1r,4s)-(-)-p-menthan-3-one\ncyclohexanone,5-methyl-2-(1-methylethyl)-,(2s,5r)-\nunii-5f709w4og4\n(-)-(2s,5r)-menthone\n(1r,4s)-p-menthan-3-one\n(2s,5r)-5-methyl-2-(propan-2-yl)cyclohexanone\ndl-menthone\np-menthan-3-one,dl-\ntrans-menthan-3-one\n(2s,5r)-5-methyl-2-(1-methylethyl)cyclohexanone\nisomenthone\n(-)-(1r,4s)-menthone\n89-80-5\nchebi:15410\n(-)-5-methyl-2-(1-methylethyl)cyclohexanone\np-menthan-3-one,trans-\nnflgaxvycfjbmk-bdaknglrsa-n\n5f709w4og4\nmenthone(natural)\n(2s-trans)-5-methyl-2-(1-methylethyl)cyclohexanone\nl-menthone,85%\ncyclohexanone,5-methyl-2-(1-methylethyl)-,(2s-trans)-\np-menthan-3-oneracemic\n(2s,5r)-2-isopropyl-5-methyl-cyclohexanone\ndsstox_cid_24384\ndsstox_rid_80188\ndsstox_gsid_44384\n5-methyl-2-(1-methylethyl)cyclohexanone\nfemano.2667\nccris5747\nhsdb1268\n(dl)-menthone\neinecs201-941-1\neinecs214-049-2\ncyclohexanone,5-methyl-2-(1-methylethyl)-,trans-\nl-p-menthan-3-one\nai3-11106\ncas-14073-97-3\n5-methyl-2-(1-methylethyl)cyclohexanone,trans-\ncyclohexan-1-one,2-isopropyl-5-methyl-,racemic\nmenthon\ncyclohexanone,5-methyl-2-(1-methylethyl)-,(2r,5s)-rel-\n5-methyl-2-(isopropyl)cyclohexanone\nmenthoneg\ntrans-p-menthone\n1-menthone\n(-)menthone\nncgc00095606-01\neinecs237-926-1\nmenthan-3-one,trans\nspectrum_001299\nrel-(2r,5s)-2-isopropyl-5-methylcyclohexanone\n(-)-menthone,(s)\nspecplus_000437\nac1q1nqi\nspectrum2_000691\nspectrum3_001272\nspectrum4_001648\nspectrum5_000495\nbmse000375\n(-)-menthone,90%\nec237-926-1\nac1l1b5l\nschembl21709\nbspbio_002864\nkbiogr_002115\nkbioss_001779\nspectrum300564\ncyclohexanone,5-methyl-2-(1-methylethyl)-,trans-(+/-)-\ndivk1c_006533\nspbio_000841\nchembl276311\ndtxsid3044384\nctk3j2003\nkbio1_001477\nkbio2_001779\nkbio2_004347\nkbio2_006915\nkbio3_002364\nks-00000wvy\nmolport-001-793-642\nzinc967796\n(-)-menthone,analyticalstandard\nbb_nc-00294\ntox21_111510\ntox21_302153\nanw-41292\nccg-38562\nfch920051\nmfcd00062998\nakos006343213\ntox21_111510_1\nacn-035416\nlmpr0102090004\nls-2354\nmcule-4105322469\npxt0000171\npxt0000172\npxt0000173\nrtr-005289\nsdccgmls-0066582.p001\n2-isopropyl-5-methylcyclohexanone,trans\nncgc00095606-02\nncgc00178425-01\nncgc00255957-01\naj-24551\nan-19251\nas-17440\nzb015494\n(2s,5r)2-isopropyl-5-methylcyclohexanone\ntr-005289\nft-0628206\nc00843\n(2s,5r)-trans-2-isopropyl-5-methylcyclohexanone\nsr-05000002387\n(2s,5r)-5-methyl-2-propan-2-ylcyclohexan-1-one\n5-methyl-2-(1-methylethyl)-(2s,5r)-cyclohexanone\nl-menthone,mixtureofisomers,>=96%,fcc,fg\nsr-05000002387-1\nw-108194\n(2s,5r)-5-methyl-2-(propan-2-yl)cyclohexan-1-one\n5-methyl-2-(1-methylethyl)-(2s-trans)-cyclohexanone\n(-)-menthone,primarypharmaceuticalreferencestandard\n(2s,5r)-5-methyl-2-(1-methylethyl)-cyclohexanone\nunii-9nh5j4v8fncomponentnflgaxvycfjbmk-bdaknglrsa-n\ncyclohexanone,5-methyl-2-(1-methylethyl)-,trans-(.+/-.)-\n1/c10h18o/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9h,4-6h2,1-3h3/t8-,9+/m1/s\n21060-23-1\ninchi=1/c10h18o/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9h,4-6h2,1-3h3/t8-,9+/m1/s\n2-isopropyl-5-methylcyclohexanone\n10458-14-7\np-menthan-3-one\nmenthone\nisomenthone\ncyclohexanone,5-methyl-2-(1-methylethyl)-\np-menthanone\n491-07-6\ndl-menthone\n2-isopropyl-5-methyl-cyclohexanone\n5-methyl-2-(isopropylcyclo)hexanone\n5-methyl-2-(1-methylethyl)cyclohexanone\ntrans-menthan-3-one\nnsc113134\n5-methyl-2-propan-2-ylcyclohexan-1-one\nchebi:36742\np-menthan-3-one,trans-\nnflgaxvycfjbmk-uhfffaoysa-n\n89-80-5\nmenthone(natural)\n5-methyl-2-(propan-2-yl)cyclohexanone\np-menthan-3-oneracemic\n5-methyl-2-(propan-2-yl)cyclohexan-1-one\nfemano.2667\nfemano.3460\nccris5747\nhsdb1268\n(dl)-menthone\n(1)-isomenthone\n.alpha.-isomenthone\neinecs201-941-1\neinecs207-727-4\neinecs214-049-2\neinecs253-295-5\n5-methyl-2-(isopropyl)cyclohexanone\ncyclohexanone,5-methyl-2-(1-methylethyl)-,trans-\nl-p-menthan-3-one\n(+/-)-isomenthone\nbrn3195564\ncyclohexanone,5-methyl-2-(1-methylethyl)-,(2r,5r)-rel-\ncyclohexanone,5-methyl-2-(1-methylethyl)-,(2r,5s)-rel-\nai3-11106\n1-methyl-4-isopropyl-3-cyclohexanone,cis-\n5-methyl-2-(1-methylethyl)cyclohexanone,trans-\n1074-95-9\ncyclohexan-1-one,2-isopropyl-5-methyl-,racemic\ncyclohexanone,5-methyl-2-(1-methylethyl)-,trans-(+/-)-\n3-p-menthanone\nncgc00095606-01\np-menthan-3-one,(1s,4s)-(-)-\neinecs233-944-9\npara-menthan-3-one\n(+/-)-menthone\niso-menthone\nrel-(2r,5s)-2-isopropyl-5-methylcyclohexanone\nac1l1nqv\ncyclohexanone,5-methyl-2-(1-methylethyl)-,(2r-cis)-\ncyclohexanone,5-methyl-2-(1-methylethyl)-,(2s-cis)-\nmenthone,mixtureofisomers\nschembl21710\nmenthone,analyticalstandard\njsp000447\njsp002422\nchembl1719455\nchebi:36503\nctk5b0009\nnsc9280\n5-methyl-2-isopropylcyclohexanone\nmolport-001-779-737\nrel-(1r,4s)-p-menthan-3-one\nnsc-9280\nmenthone,98%,mixtureofisomers\n5752af\nbbl028090\nmfcd00001634\nnsc113134\nstk803138\n2-isopropyl-5-methylcyclohexan-1-one\nakos000121372\nakos016843993\nmcule-9183733882\nnsc-113134\nrl00217\np-menthan-3-one,(1r,4r)-(+)-\nan-19678\nan-21389\nan-24177\nan-24861\nls-89510\nls-89511\nsc-80097\n2-(1-methylethyl)-5-methyl-cyclohexanone\n5-methyl-2-(methylethyl)cyclohexan-1-one\ndb-023475\nkb-231064\nft-0627953\nft-0628203\nft-0628204\nm0513\nst24028057\nst45024192\nv0294\nmenthone,mixtureofisomers,>=97.0%(gc)\ntrans-5-methyl-2-(1-methylethyl)cyclohexanone\ncyclohexanone,5-methyl-2-(1-methylethyl)-(9ci)\nq-201352\n(2r,5s)-rel-5-methyl-2-(1-methylethyl)cyclohexanone\ni14-21347\ni14-43609\nrel-(2r,5s)-5-methyl-2-(propan-2-yl)cyclohexanone\nz56347247\ncyclohexanone,5-methyl-2-(1-methylethyl)-,(2s,5r)-\n17627-49-5\n39307-52-3\n7786-64-3\n(+)-menthone\n3391-87-5\nd-menthone\n(1s,4r)-p-menthan-3-one\n(2r,5s)-2-isopropyl-5-methylcyclohexanone\nunii-15f1b5k9a5\nchebi:31\n(+)-(1s,4r)-menthone\ndl-menthone\n15f1b5k9a5\n89-80-5\n(2r,5s)-5-methyl-2-(propan-2-yl)cyclohexanone\ncyclohexanone,5-methyl-2-(1-methylethyl)-,(2r,5s)-rel-\nmenthone,(+)-\neinecs222-227-6\nrel-menthone\n(1s,4r)-menthone\nac1l9e4t\nschembl21711\nchembl2268548\ndtxsid2044478\nzinc967523\n(+)-menthone,analyticalstandard\nakos017343077\naj-24529\nkb-00141\nzb015457\nft-0693859\n(2r,5s)-2-isopropyl-5-methyl-cyclohexanone\nc11390\n(2r,5s)-5-methyl-2-propan-2-ylcyclohexan-1-one\nj-019376\n(2r,5s)-5-methyl-2-(propan-2-yl)cyclohexan-1-one\ni14-18209\ncyclohexanone,5-methyl-2-(1-methylethyl)-,(2r,5s)-\ncyclohexanone,5-methyl-2-(1-methylethyl)-,(2r,5s)-rel-\nunii-9nh5j4v8fncomponentnflgaxvycfjbmk-dtwkunhwsa-n\n","Stereochemistry removed",null,1]
[660,"4,4-bis(dimethylamino)benzophenone","90-94-8","CN(C)C1(CC=C(C=C1)C(=O)c2ccccc2)N(C)C","CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C",null,"CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C",2,1,1,"Verify Name","michler'sketone\n90-94-8\n4,4'-bis(dimethylamino)benzophenone\nbis(4-(dimethylamino)phenyl)methanone\nmichlerketone\nbis[4-(dimethylamino)phenyl]methanone\np,p'-michler'sketone\nmichlersketone\nmethanone,bis[4-(dimethylamino)phenyl]-\nnci-c02006\ntetramethyldiaminobenzophenone\np,p'-bis(dimethylamino)benzophenone\nbenzophenone,4,4'-bis(dimethylamino)-\nnsc9602\nccris412\nunii-3z2sn6b347\nn,n,n',n'-tetramethyl-4,4'-diaminobenzophenone\np,p'-bis(n,n-dimethylamino)benzophenone\nhsdb2865\neinecs202-027-5\n4-[4-(dimethylamino)benzoyl]-n,n-dimethylaniline\nbis(p-(n,n-dimethylamino)phenyl)ketone\nbis(p-(n,n-dimethylamino)phenyl)ketone\nai3-22412\nchebi:82347\nnsc9602\nvvblncfgvyuygu-uhfffaoysa-n\n3z2sn6b347\nbis(4-dimethylaminophenyl)methanone\n4,4'-bis(n,n-dimethylamino)benzophenone\nbis[p-(n,n-dimethylamino)phenyl]ketone\nmethanone,bis(4-(dimethylamino)phenyl)-\ndsstox_cid_894\ndsstox_rid_75850\ndsstox_gsid_20894\n4,4'-bis(dimethylamino)benzophenone(michler'sketone)\ndi4-(dimethylamino)phenylketone\ncas-90-94-8\n4,4'-bis(dimethylamino)benzophenone,98%\nmichlersketon\nmichler;ske\nmichler`sketone\nmichler/'sketone\npubchem3393\nac1l1nuj\nmichler'sketone,98%\nacmc-209r7n\nac1q5e8k\noprea1_244376\nschembl36517\nlabotest-bblt00086928\nmls000521340\nchembl15137\np,n-dimethylamino)benzophenone\nbis-dimethylaminophenylmethanone\ndi-p-dimethylaminophenylketone\n(tetramethyldiamino)benzophenone\nbis(p-dimethylaminophenyl)ketone\ndi-p-dimethylaminophenylketone\ndtxsid2020894\nctk5g8674\nzinc56456\n4,4'-bisdimethylaminobenzophenone\nmolport-002-319-933\nwln:1n1&rd-2v\nhms2464f09\np,p'-tetramethyldiaminobenzophenone\n4,4'-bis-dimethylaminobenzophenone\n4,4'-di(dimethylamino)benzophenone\n4,4'-tetramethyldiaminobenzophenone\nks-00000v0n\nnsc-9602\ntetramethyl-p,p'-diaminobenzophenone\ntox21_202416\ntox21_300279\n4,4[-bis(dimethylamino)benzophenone\n6399af\nanw-39537\nbenzophenone,4'-bis(dimethylamino)-\nmfcd00008312\nsbb056915\nstk366752\n4,4'-bis(dimethylamino)-benzophenone\n(4,4'-tetramethyldiamino)benzophenone\n4,4\\'-bis(dimethylamino)benzophenone\nakos000118727\n4,4;-bis-(dimethylamino)-benzophenone\nbis-(4-dimethylamino-phenyl)-methanone\nbis[4-(dimethylamino)phenyl]-methanone\nccg-202851\nls-1914\nmcule-5301682464\nne10570\nrtr-031510\nncgc00164065-01\nncgc00164065-02\nncgc00164065-03\nncgc00254018-01\nncgc00259965-01\nan-42537\nsc-54093\nsmr000131748\nzb001652\n4,4'-bis-(n,n-dimethylamino)-benzophenone\nkb-187861\ntr-031510\nb0481\neu-0033215\nft-0628941\nst24046173\nst50308462\na11220\nc19266\nn,n',n'-tetramethyl-4,4'-diaminobenzophenone\nae-641/00375021\nsr-01000596911\nsr-01000596911-1\nw-100322\ni14-19976\nmichlersketone(tetramethyldiaminobenzophenone)\nf0722-8838\nmichler'sketone,certifiedreferencematerial,tracecert(r)\ninchi=1/c17h20n2o/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12h,1-4h\n",null,null,1]
[712,"BENZENEETHANAMINE, N,b-DIMETHYL-","93-88-9",null,"CNCC(C)c1ccccc1",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[721,"ethazole","94-19-9","CCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","CCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","CCOc1snc(n1)C(Cl)(Cl)Cl","CCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",3,1,0,"Verify Name","sulfaethidole\n94-19-9\nsulfaethidiole\nsulfaethidol\nsulphaethidole\netazole\nglobucid\naethazol\nberlophen\nsethadil\nsulfaethylthiadiazole\netazol\nsulfa-perlongit\nsetd\nsul-spansion\nsul-spantab\ntardipyrine\n4-amino-n-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide\naethazolum\nglobuzid\nethazole(pharmaceutical)\nglobuzid[german]\nsolfetidolo[dcit]\nvk55\nunii-r77q4o5zmd\n4-amino-n-(5-ethyl-[1,3,4]thiadiazol-2-yl)-benzenesulfonamide\nsulfaetidol[inn-spanish]\nsulfaethidolum[inn-latin]\n2-sulfanilamidoaethylthiodiazol\nsulfaethidole[inn]\neinecs202-312-4\nn-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanilamide\nbrn0261474\nr77q4o5zmd\n2-sulfanilamidoaethylthiodiazol[german]\np-aminobenzolsulfonamido-ethyl-thiodiazol\nc10h12n4o2s2\nsvybeblnqgdrhf-uhfffaoysa-n\nsulfaethidole(inn)\nsulfanilamide,n-(5-ethyl-1,3,4-thiadiazol-2-yl)-\nn(sup1)-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanilamide\nncgc00160667-01\n4-amino-n-(5-ethyl-[1,3,4]thiadiazol-2-yl)-benzenesulfonamide\n4-amino-n-(5-ethyl-1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide\nbenzenesulfonamide,4-amino-n-(5-ethyl-1,3,4-thiadiazol-2-yl)-\ndsstox_cid_26286\ndsstox_rid_81512\ndsstox_gsid_46286\nsolfetidolo\nsulfaethidolum\nsulfaetidol\n[(4-aminophenyl)sulfonyl](5-ethyl(1,3,4-thiadiazol-2-yl))amine\ncas-94-19-9\nsulfuethylthiudiuzole\nglobucin\nsulfaethidole[inn:ban:nf]\nsul-spansion(tn)\nac1l1o6v\nac1q6w3a\ntimtec1_000569\noprea1_047146\noprea1_050882\n4-27-00-08075(beilsteinhandbookreference)\nmls001204918\nn1-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanilamide\nschembl152872\naronis018063\nchembl1355299\ndtxsid4046286\nctk8e7577\nzinc49138\nchebi:107668\nmolport-000-488-592\nbdbm223479\nhms1535j19\nhms2231b23\nhms3370f08\nks-00004ac1\ntox21_111971\nbbl025945\nsbb001155\nstk099239\nakos000300986\ntox21_111971_1\nccg-103308\nmcule-9256808333\n1904-95-6(mono-hydrochloridesalt)\nncgc00160667-03\nbas01369315\nkb-97585\nsmr000516737\nst007534\n2-sulfanilamido-5-ethyl-1,3,4-thiadiazol\nls-147793\n2-sulfanilamido-5-ethyl-1,3,4-thiadiazole\nft-0676645\nd02449\nz-2045\nab00876247-06\nsr-01000314048\nus9320734,109\nsr-01000314048-1\nbrd-k56881825-001-01-2\nf0266-1318\n4-amino-n-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide#\n",null,null,1]
[724,"butyl-p-aminobenzoate","94-25-7",null,"CCCCOC(=O)c1ccc(cc1)N",null,"CCCCOC(=O)c1ccc(cc1)N",2,0,2,"Verify Name","butyl4-aminobenzoate\nbutamben\n94-25-7\nbutesin\nbutylcaine\nbutylaminobenzoate\nbutesine\nbutoform\nplanoform\nscuroform\nscuroforme\nbutylkeloform\nbutylp-aminobenzoate\n4-(butoxycarbonyl)aniline\nn-butylp-aminobenzoate\nbenzoicacid,4-amino-,butylester\n4-aminobenzoicacidn-butylester\nn-butyl-p-aminobenzoate\n4-aminobenzoicacidbutylester\nbenzoicacid,p-amino-,butylester\np-aminobenzoicacidbutylester\nbutsein\nbutylpaba\nnsc128464\nunii-efw857872q\nccris5891\n4-aminobutylbenzoate\np-aminobenzoicacid,butylester\nhsdb4245\nbutylesterkyselinyp-aminobenzoove\neinecs202-317-1\n4-aminobenzoicacidbutyl\nbrn1211465\nai3-02284\nbutylesterkyselinyp-aminobenzoove[czech]\nmls000028721\nchebi:3231\niuwvalylnvxwkx-uhfffaoysa-n\nefw857872q\nnsc128464\ncas-94-25-7\nncgc00016353-03\nsmr000059139\ndsstox_cid_2417\ndsstox_rid_76583\ndsstox_gsid_22417\nbutanylcaine\nzyljectin\nbutamben(usp)\nbutamben[usan]\nbutamben[usan:usp]\nsr-01000721933\nbutamben(usp)\nprestwick_994\nbutesin(tn)\nbutyl4-aminobenzoate\nbutyl-4-aminobenzoate\nspectrum_000025\nn-butyl4-aminobenzoate\nopera_id_633\nspecplus_000829\nprestwick0_000761\nprestwick1_000761\nprestwick2_000761\nprestwick3_000761\nspectrum2_000850\nspectrum3_001848\nspectrum4_000832\nspectrum5_001496\nacmc-209rr0\nwln:zrdvo4\n4-amino-benzoicacibutylester\nac1l1ds2\nac1q2x8y\nac1q2x8z\nac1q66vz\nschembl81735\nbspbio_000802\nbspbio_003236\nkbiogr_001403\nkbioss_000385\nksc486o9h\nmls002303044\nbidd:er0674\ndivk1c_000838\ndivk1c_006925\nspectrum1500767\nspbio_000839\nspbio_002741\nbpbio1_000884\nchembl127516\ndtxsid7022417\nctk3i6793\nhms502j20\nkbio1_000838\nkbio1_001869\nkbio2_000385\nkbio2_002953\nkbio2_005521\nkbio3_002736\nks-00000iio\nmolport-001-790-585\nninds_000838\np-aminobenzoicacidn-butylester\nhms1570i04\nhms1921g20\nhms2092k06\nhms2097i04\nhms2234m07\nhms3372c17\nhms3714i04\npharmakon1600-01500767\nhy-b1430\nzinc1530937\ntox21_110392\ntox21_200378\nanw-40234\nccg-40317\nmfcd00017112\nnsc757433\ns4583\nsbb007542\nstl169355\nakos000119787\ntox21_110392_1\ncs-4822\ndb11148\nls-1960\nmcule-6283966699\nne10776\nnsc-128464\nnsc-757433\nrp25248\nrtr-030885\ntra0052007\nidi1_000838\nncgc00016353-01\nncgc00016353-02\nncgc00016353-04\nncgc00016353-05\nncgc00016353-06\nncgc00016353-08\nncgc00091154-01\nncgc00091154-02\nncgc00091154-03\nncgc00091154-04\nncgc00257932-01\nac-13349\naj-26712\nak-41115\nan-42682\nbc206116\ncj-05219\ncj-24059\nds-13802\npara-aminobenzoicacidbutylester\nst059627\nsbi-0051887.p002\ndb-029553\nkb-189278\ntr-030885\n4ch-023767\na0270\nab00052407\nft-0617559\nst24046262\nc07875\nd00730\nab00052407_12\nae-641/05573061\ni01-6155\nq-200433\nsr-01000721933-2\nsr-01000721933-3\nbrd-k27217864-001-04-1\nbrd-k27217864-001-05-8\nbrd-k27217864-001-15-7\nz57126994\nf2190-0449\nbutamben,unitedstatespharmacopeia(usp)referencestandard\ndegrees+/-+/-(1/2)paragraphsigninvertedexclamationmarkoyen\n",null,null,1]
[731,"1,3-Benzenediol, 4-(2-phenylethyl)-","94-77-9","Oc1cc(c(cc1)CCc2ccccc2)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[732,"2,4-d,butylester","94-80-4",null,"CCCCOC(=O)COc1c(cc(cc1)Cl)Cl",null,"CCCCOC(=O)COc1c(cc(cc1)Cl)Cl",2,0,2,"Verify Name","94-80-4\nbutyl2,4-dichlorophenoxyacetate\nbutyl2-(2,4-dichlorophenoxy)acetate\nlironox\nbutylester2,4-d\n2,4-dn-butylester\n2,4-dbutylester\nbutapon\nessoherbicide10\nshell40\n2,4-d-butyl\nbutyl2,4-d\nbutyl(2,4-dichlorophenoxy)acetate\nbutylesterof2,4-d\nbutyldichlorophenoxyacetate\ncomponentorange\npurplecomponent\nhi-ester2,4-d\nthecroprider\n2,4-d1-butylester\nlinerider4t\norangeiicomponent\nlironox326\nweed-rhapb-4d\nweed-rhapb-6d\nbutyl(2,4-dichlorophenoxy)acetate\nmiller's4#ester\nmiller's6#ester\naceticacid,(2,4-dichlorophenoxy)-,butylester\n2,4-dichlorophenoxyaceticacidn-butylester\nbutyl400\ncroprider2.67d\ncaswellno.315al\nfelcohv2weedkiller\nfelcohv4weedkiller\nweedoneaeroconcentrate\n2,4-dbe\nt-hded-weedme-6\nt-hded-weedme-9\nweed-rhapb-2.67d\n2,4-dichlorophenoxyaceticacidbutylester\ngreencrossweed-no-more\nmfano.4weedkiller\nmfano.6weedkiller\nunii-6go3lvr34r\ndiamondshamrockbutyl4d\nweedoneaero-concentratee\n2,4-d-butyl[iso]\nde-pesterded-weedme-4\nde-pesterded-weedme-5\nde-pesterded-weedme-6\nde-pesterded-weedme-9\nweedoneaero-concentrate96\nfsester400weedkiller\nmonsanto2,4-dbutylester\nnsc409767\nhsdb1633\nrhodia2,4-dbutylester6l\nchipman2,4-dbutylester4e\nchipman2,4-dbutylester6e\nunico2,4-desterweedkiller\nolinbutylesterd4weedkiller\nolinbutylesterd6weedkiller\nmfa40%butylesterweedkiller\nbarber's2,4-desterweedkiller\nchipman2,4-dbutylester334e\neinecs202-364-8\nolinbutylesterd267weedkiller\nabcow.k-672,4-dweedkiller\namoco2,4-dweedkillerno.6b\ngeneralchemical2,4-dbutylesterweedkiller\nbarcoweedkiller(esterformulation)\ndiamondshamrockbutyl6dweedkiller\nepapesticidechemicalcode030056\ntechnebutylesterweedkillerno.4\ntechnebutylesterweedkillerno.6\nbrn2056085\n6go3lvr34r\nmonsanto2,4-dbutylesterconcentrate\nparsons2,4-dweedkillerbutylester\ntechne40%butylestertypeweedkiller\nai3-08686\nmls002152860\nsuredeathno.4butylesterweedkiller\nsuredeathno.6butylesterweedkiller\nfelcobutylester6002,4-dweedkiller\nsuredeath40%butylestertypeweedkiller\nn-butylesterkyseliny2,4-dichlorfenoxyoctove\n(2,4-dichlorophenoxy)aceticacid,butylester\nfloratox4284-pound2,4-desterweedkiller\nassociatedsales4-pound2,4-desterweedkiller\ngeneralchemical2,4-d4-butylesterweedkiller\npatterson'shi-testbutylester2,4-dweedkiller\ngeneralchemical2,4-d3.34butylesterweedkiller\ngeneralchemical2,4-d6.00butylesterweedkiller\nn-butylesterkyseliny2,4-dichlorfenoxyoctove[czech]\nbutyl[(2,4-dichlorophenyl)oxy]acetate\nsmr001224484\ndsstox_cid_443\n2,4-dichlorophenoxyaceticacid,n-butylester\ndsstox_rid_75592\ndsstox_gsid_20443\ncas-94-80-4\nc12h14cl2o3\n2,4-dbutylester((2,4-dichlorophenoxy)aceticacidbutylester)\nbutyl2,4-dichlorophenoxyacetate\n(2,butylester\n2,4-d,n-butylester\n2,4-d-1-butylester\nac1l1o8v\ncid_7206\nwln:grcgdo1vo4\nschembl1226040\nchembl1446511\ndtxsid5020443\nbdbm74250\nctk5h7136\nmolport-003-356-065\nuqmrafjobwofns-uhfffaoysa-n\nzinc1602247\ntox21_201237\ntox21_302757\n2,4-dichlorophenoxyaceticacidbutyl\nnsc409767\nstl301520\n2,4-dichlorophenoxyaceticbutylester\nakos005943535\nls-1968\nmcule-3481562552\nne19588\nnsc-409767\nbutyl2-(2,4-dichlorophenoxy)ethanoate\nncgc00090826-01\nncgc00090826-02\nncgc00090826-03\nncgc00256335-01\nncgc00258789-01\nac-12695\naj-28013\nan-24970\ncj-25778\np331\nkb-110461\nkb-200677\nft-0710757\n(2,4-dichlorophenoxy)aceticacidbutylester\naceticacid,4-dichlorophenoxy)-,butylester\nbutyl2-[2,4-bis(chloranyl)phenoxy]ethanoate\n2-(2,4-dichlorophenoxy)aceticacidbutylester\n126b845\n2,4-d-1-butylester100microg/mlincyclohexane\nw-100183\ni14-20033\nz54191175\n2,4-d1-butylester,pestanal(r),analyticalstandard\n",null,null,1]
[786,"2-piperidinecarboxamide,n-(2,6-dimethylphenyl)-","96-88-8","Cc1c(c(ccc1)C)NC(=O)C2NCCCC2","Cc1c(c(ccc1)C)NC(=O)C2N(CCCC2)C",null,"Cc1c(c(ccc1)C)NC(=O)C2N(CCCC2)C",2,1,1,"Verify Name","mepivacaine\n96-88-8\nn-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide\ncarbocaine\ndl-mepivacaine\nmepivacaina\nscandicain\nscandicaine\nmepivacainum\nmepicaine\nmepivicaine\npolocaine\nmepivacainum[inn-latin]\nmepivacaina[inn-spanish]\n22801-44-1\nscandicane\npolocaine-mpf\nmepivacaine[inn:ban]\ncarbocain\n(+-)-1-methyl-2',6'-pipecoloxylidide\ns-ropivacainemesylate\nn-(2,6-dimethylphenyl)-1-methyl-2-piperidinecarboxamide\narestocainehcl\n1-methyl-2',6'-pipecoloxylidide\n2-piperidinecarboxamide,n-(2,6-dimethylphenyl)-1-methyl-\nisocainehcl\nn-methyl-2-pipecolicacid,2,6-xylidide\n2',6'-pipecoloxylidide,1-methyl-\nd(-)-mepivacaine\nmepivacaine(inn)\nn-methyl-2-pipecolicacid,2,6-dimethylanilide\nchebi:6759\nn-methylhexahydro-2-picolinicacid,2,6-dimethylanilide\ncarboplyindental(tn)\neinecs202-543-0\nbrn0211230\ninwlqczoysrpnw-uhfffaoysa-n\nak105914\nmepihexal\ncarbocaine(tn)\npolocaine(tn)\nd-mepivacaine\nq-100290\n5-22-01-00223(beilsteinhandbookreference)\ncarboplyindental\nspectrum_001480\n2',6'-pipecoloxylidide,1-methyl-,d-(-)-\nspecplus_000874\nac1l1hbv\nspectrum2_001656\nspectrum3_001629\nspectrum4_000596\nspectrum5_001354\n(.+/-.)-mepivacaine\nd0wo8w\nepitopeid:122686\nchembl1087\nschembl25314\nbspbio_003297\nkbiogr_001092\nkbioss_001960\nmls006011662\ndivk1c_006970\nspbio_001811\ngtpl7224\ndtxsid9023259\nkbio1_001914\nkbio2_001960\nkbio2_004528\nkbio2_007096\nkbio3_002517\nmolport-005-935-383\n1722-62-9(mono-hydrochloride)\nbdbm50417964\nakos015889304\nac-9857\napi0015834\ndb00961\nfs-3679\nmcule-7228754802\nks-00000l39\nncgc00018284-02\nncgc00018284-03\nncgc00089774-02\nbc209189\nsc-45547\nsmr004703413\nsbi-0052814.p002\nax8041478\nkb-258069\nls-109848\nls-109849\nst2419638\nft-0653428\nz5419\n(.+/-.)-1-methyl-2',6'-pipecoloxylidide\n22m629\nc07528\nd08181\nm-8373\nab00053769_12\nab00053769_13\na816361\ni01-1864\nbrd-a03216249-003-02-9\nbrd-a03216249-003-12-8\nn-(2,6-dimethylphenyl)-1-methyl-2-piperidinecarboxamide#\nn-(2,6-dimethylphenyl)-1-methyl-piperidine-2-carboxamide\nn-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboximidicacid\n",null,null,0]
[792,"phenol,2,2'-thiobis4,6-dichloro-","97-18-7",null,"Oc1c(cc(cc1Cl)Cl)Sc2c(c(cc(c2)Cl)Cl)O",null,"Oc1c(cc(cc1Cl)Cl)Sc2c(c(cc(c2)Cl)Cl)O",2,0,2,"Verify Name","bithionol\n97-18-7\nactamer\nbithin\n2,2'-thiobis(4,6-dichlorophenol)\nlorothidol\nbitionol\nbithionolsulfide\nbidiphen\nbisoxyphen\nlorothiodol\nbitin\nbithionolate\nneopellis\nnobacter\nvancidebl\nusafb-22\nbithional\nbithionolum\n2-hydroxy-3,5-dichlorophenylsulfide\ntkhsd\nbis(2-hydroxy-3,5-dichlorophenyl)sulfide\nbis(3,5-dichloro-2-hydroxyphenyl)sulfide\ncaswellno.852\n2,2'-sulfanediylbis(4,6-dichlorophenol)\nbitionol[inn-spanish]\nxl7\nbithionolum[inn-latin]\n2,2'-dihydroxy-3,3',5,5'-tetrachlorodiphenylsulfide\nprevenol\n2-hydroxy-3,5-dichlorophenylsulphide\ncp3438\nd26\nnci-c60628\nunii-amt77ls62o\nc12h6cl4o2s\nnsc47129\nphenol,2,2'-thiobis[4,6-dichloro-\nccris2043\nhsdb6380\neinecs202-565-0\nepapesticidechemicalcode064201\nphenol,2,2'-thiobis(4,6-dichloro-\nbrn2003535\namt77ls62o\n2,2'-dihydroxy-3,3',5,5'-tetrachlorodiphenylsulfide\nai3-50518\nmls000028403\nchebi:3131\nxl-7\n2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol\n2,2'-thiobis[4,6-dichlorophenol]\n2,2'-thio-bis(4,6-dichlorophenol)\nncgc00018163-06\nsmr000058374\n2,4-dichloro-6-(3,5-dichloro-2-hydroxy-phenyl)sulfanyl-phenol\ndsstox_cid_1342\ndsstox_rid_76096\ndsstox_gsid_21342\nq-200730\nphenol,2'-thiobis[4,6-dichloro-\nwln:qrbgdgfsrbqcgeg\n2,3',5,5'-tetrachlorodiphenylsulfide\ncas-97-18-7\n6-(3,5-dichloro-2-hydroxyphenylthio)-2,4-dichlorophenol\nbithionol[inn:ban:jan]\nbithionol[inn:ban:jan:nf]\nb1t\nbithin(tn)\nspectrum_000088\nbithionol(jan/inn)\nac1l1dlt\nspectrum2_000113\nspectrum3_000319\nspectrum4_000257\nspectrum5_000922\nd0qq1j\ncid_2406\nphenol,2,2'-thiobis(4,6-dichloro)-\noprea1_473080\nregid_for_cid_2406\nschembl64385\nbspbio_001918\nkbiogr_000694\nkbioss_000508\naronis27111\ndivk1c_000639\nspbio_000126\nacmc-209s88\nchembl290106\ngtpl2338\nbithionol,>=98%(hplc)\ndtxsid9021342\nbdbm36880\nctk8b2783\nhms501p21\njfiovjdnojylkp-uhfffaoysa-\nkbio1_000639\nkbio2_000508\nkbio2_003076\nkbio2_005644\nkbio3_001418\nnsc9872\njfiovjdnojylkp-uhfffaoysa-n\nmolport-003-702-306\nninds_000639\nkuc106451n\nzinc608213\n2,2-thiobis(4,6-dichlorophenol)\nks-000048lk\nnsc-9872\nnsc47129\ntox21_110832\ntox21_200384\ntox21_302919\n6068af\na1b988\nanw-40854\nmfcd00055727\nnsc-47129\ns4552\nsbb071906\nstl257451\n2,2'-thiobis(4,6-dichlorophenol)\n2,2'-thiobis-(4,6-dichlorophenol)\nakos015856712\ntox21_110832_1\ncs-3874\ndb04813\nksc-19-055\nls-2022\nmcule-6591279983\nrtr-030210\nidi1_000639\nqtl1_000014\nncgc00018163-01\nncgc00018163-02\nncgc00018163-03\nncgc00018163-04\nncgc00018163-05\nncgc00018163-07\nncgc00018163-08\nncgc00018163-09\nncgc00018163-10\nncgc00021272-04\nncgc00021272-05\nncgc00021272-06\nncgc00256573-01\nncgc00257938-01\nan-42826\nhy-17592\nkb-75549\nsc-46723\nzb014602\nsbi-0051298.p003\ntl8006856\ntr-030210\nft-0707601\nst45027186\nbis(2-hydroxy-3,5-dichlorophenyl)-sulphide\nbithionol,vetranal(tm),analyticalstandard\nc07967\nd00802\nbis(2-hydroxy-3,5-dichlorophenyl)sulfide\ni09-1509\nbrd-k39120595-304-03-9\n2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol\n2,4-dichloro-6-[(3,5-dichloro-2-hydroxy-phenyl)thio]phenol\n2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)thio]phenol\n2-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfanyl-4,6-bis(chloranyl)phenol\n1394-04-3\ninchi=1/c12h6cl4o2s/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18h\n",null,null,1]
[793,"phenol,2,2'-methylenebis4-chloro-","97-23-4",null,"Oc1c(cc(cc1)Cl)Cc2c(ccc(c2)Cl)O",null,"Oc1c(cc(cc1)Cl)Cc2c(ccc(c2)Cl)O",2,0,2,"Verify Name","dichlorophen\ndichlorophene\n97-23-4\ndichlorofen\ndichlorphen\n2,2'-methylenebis(4-chlorophenol)\ndidroxan\ndidroxane\ntrivex\nanthiphen\nantiphen\ncordocel\ndicestal\ndifentan\nembephen\npanacide\nprevental\ntaeniatol\nteniathane\nteniatol\nteniotol\nvermithana\nantifen\nhalenol\nhyosan\nkorium\npalacel\nparabis\ndichlorophenb\ndichlorophene10\ndichloorfeen\ngingivit\nwespuril\ngefir\nfungicidem\ndddm\nplath-lyse\nfungicidegm\npreventolgd\npreventolgdc\ndiphenthane70\nbis(5-chloro-2-hydroxyphenyl)methane\nsandocide\nsupermosstox\ndi-phentane-70\nbis(chlorohydroxyphenyl)methane\ndichlorophenum\ndiclorofeno\n2,2'-dihydroxy-5,5'-dichlorodiphenylmethane\nbis(2-hydroxy-5-chlorophenyl)methane\ngivgardg4-40\ndi-(5-chloro-2-hydroxyphenyl)methane\nphenol,2,2'-methylenebis[4-chloro-\nbis-2-hydroxy-5-chlorfenylmethan\nsindarg4\ndichlorofen[czech]\ndichloorfeen[dutch]\ncaswellno.563\nbis(5-chlor-2-hydroxyphenyl)-methan\n5,5'-dichloro-2,2'-dihydroxydiphenylmethane\nmethanedichlorofen\no,o-metilen-bis(4-cloro-fenolo)\nddm(van)\nunii-t1j0jou64o\ndiclorofeno[inn-spanish]\ndichlorophene[inn-french]\ndichlorophene[iso-french]\ndichlorophenum[inn-latin]\ng-4technical\nc13h10cl2o2\ndichlorophen[inn:ban:dcf]\n4,4'-dichloro-2,2'-methylenediphenol\nccris6060\n1322-43-6\ng4(van)\ng-4pure\nhsdb6033\n((dihydroxydichloro)diphenyl)methane\ndichlorophen[bsi:iso]\neinecs202-567-1\nnsc38642\n2,2'-methylenebis-(4-chlorophenol)\n2,2'-methylene-bis(4-chlorophenol)\nepapesticidechemicalcode055001\nphenol,2,2'-methylenebis(4-chloro-\nbrn1884514\nt1j0jou64o\nbis-2-hydroxy-5-chlorfenylmethan[czech]\nchembl33845\nai3-02370\nmls000069468\no,o-methyleen-bis(4-chloorfenol)[dutch]\no,o-metilen-bis(4-cloro-fenolo)[italian]\ng4\ng-4\n4-chloro-2-(5-chloro-2-hydroxybenzyl)phenol\nchebi:34689\nbis(5-chlor-2-hydroxyphenyl)-methan[german]\nmdnwosozylhtcg-uhfffaoysa-n\nnsc38642\n2,2'-methylenebis[4-chlorophenol]\no,o-methyleen-bis-(4-chloorfenol)\n2,2'-methanediylbis(4-chlorophenol)\ndichlorofen(czech)\n4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol\nncgc00091325-05\nsmr000059095\ndsstox_cid_1824\ndsstox_rid_76351\ndsstox_gsid_21824\n2,5'-dichlorodiphenylmethane\n5,2'-dihydroxydiphenylmethane\nw-100114\n4-chloro-2-[(5-chloro-2-hydroxy-phenyl)methyl]phenol\nwln:qrdgb1rbqeg\nphenol,2'-methylenebis[4-chloro-\n[(dihydroxydichloro)diphenyl]methane\ncas-97-23-4\nalgafen\nanthipen\nnuophene\nwestpuril\nfungicidefx\ndifent*n\nacticideddm\ndiphentane70\no,o-methyleen-bis(4-chloorfenol)\n2,2'-methylene-bis(4-chlorophenol)\ncuniphen(salt/mix)\nphenol,2,2'-methylenebis(4-chloro)-\nspectrum_000762\nopera_id_1730\nspectrum2_001214\nspectrum3_001405\nspectrum4_000390\nspectrum5_001519\nschembl18052\nbspbio_003050\nkbiogr_000919\nkbioss_001242\nmls001076530\nbidd:er0237\ndivk1c_000460\nspectrum1500626\nspbio_001028\nac1l1f15\ndtxsid6021824\neccomp2004(salt/mix)\nctk4b7817\nhms501g22\nkbio1_000460\nkbio2_001242\nkbio2_003810\nkbio2_006378\nkbio3_002270\nzinc56435\nmolport-001-762-146\nninds_000460\n2,2-methylenebis(4-chlorophenol)\nhms1921m03\nhms2230h06\nhms3373o17\nkuc106446n\nkuc112931n\npharmakon1600-01500626\nnsc39467\nzx-at020226\ntox21_111112\ntox21_201429\ntox21_303013\nbdbm50303912\nccg-39772\nmfcd00002322\nnsc-38642\nnsc-39467\nnsc757391\nsbb058814\n2,2''-methylenebis(4-chlorophenol)\nakos015917706\nbis(2-hydroxy-5-chlorophenyl)-methane\ntox21_111112_1\n2,2'-methylene-bis(4-chloro-phenol)\ncs-3867\nksc-19-050\nls-2023\nmcule-2962145672\nnsc-757391\nor22200\nbis-(5-chloro-2-hydroxyphenyl)-methane\nidi1_000460\nks-0000171z\nqtl1_000030\nncgc00091325-01\nncgc00091325-03\nncgc00091325-04\nncgc00091325-06\nncgc00091325-07\nncgc00091325-09\nncgc00256543-01\nncgc00258980-01\nac-10330\nak176082\nan-42827\nas-12817\nhy-12638\nsc-16330\nzb001639\nksc-336-005-1\nsbi-0051563.p002\nkb-190366\nbis(5-chloro-2-hydroxyphenyl)methane,95%\nft-0609137\nft-0739351\nm0213\nst50826029\nc14292\n3,3''-dichloro-6,6''-dihydroxydiphenylmethane\nab00052130_15\ndichlorophene,pestanal(r),analyticalstandard\nsr-01000721928\ni14-9454\nsr-01000721928-3\nbis(5-chloro-2-hydroxyphenyl)methane,technicalgrade,90%\n1135443-66-1\n8017-86-5\nethyl1-[3-(4-ethoxycarbonyl-2,3-dioxo-pyrrolidin-1-yl)propyl]-4,5-dioxo-pyrrolidine-3-carboxylate\n",null,null,1]
[901,"acetamide,n-[4-[[(4,6-dimethyl-2-pyrimidinyl)am","100-90-3",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(cc(n2)C)C",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(cc(n2)C)C",2,0,2,"Verify Name","100-90-3\nn(4)-acetylsulfamethazine\nn-acetylsulfamethazine\nn-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide\nn-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide\nsulfamethazine-n4-acetyl\nn-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)acetamide\nn-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)acetamide\nn-[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]acetamide\nn4-acetylsulmet\nn4-acetylsulfadimidine\nn4-acetylsulfamethazine\nn4-acetylsulphamethazine\nsulfamethazine,n-acetyl-\nac1l26bb\nac1q1kt3\nac1q6vz9\noprea1_117280\noprea1_341005\naronis018808\nchebi:83457\nctk8g1517\nks-00004awl\nzinc52440\ndtxsid50142848\nljkakwduzrjnpj-uhfffaoysa-n\nmolport-001-028-199\nccg-52979\nn1-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)acetamide\nstk100511\nakos000486009\napi0000681\nmcule-2915137169\nbas03032666\nbb0274067\nft-0661370\nn4-acetylsulfadimidine(n4-acetylsulfamethazine)\nj-000256\nsr-01000642175-1\nbrd-k86116994-001-01-2\n4'-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]acetanilide\nf0012-0766\nsulfamethazine-n4-acetyl100ng/microlinacetonitrile\na1954/0082137\nn-[4-(4,6-dimethyl-pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide\n4-acetylamino-n-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamide\nn-(4-(n-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)acetamide\nacetamide,n-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-\nn~1~-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)acetamide\n",null,null,0]
[919,"beta-alanine,n-[[(4-nitrophenyl)amino]carbonyl]","102-66-9",null,"O=C(O)CCNC(=O)Nc1ccc(cc1)[N+](=O)[O-]",null,"O=C(O)CCNC(=O)Nc1ccc(cc1)[N+](=O)[O-]",2,0,2,"Verify Name","suosan\n102-66-9\nasparticacid-beta-4-nitroanilide\n3-[(4-nitrophenyl)carbamoylamino]propanoicacid\nasparticacid-beta-p-nitroanilide\n140-46-5\nbeta-alanine,n-(((4-nitrophenyl)amino)carbonyl)-\nbeta-alanine,n-[[(4-nitrophenyl)amino]carbonyl]-\nn-[(4-nitrophenyl)carbamoyl]-|a-alanine\nn-(4-nitrophenyl)-n'-(carboxyethyl)urea\nac1l1rqg\nac1q5mfl\nchembl82045\ndtxsid20144516\n140-46-5(hydrochloridesalt)\nzinc3875913\nzx-ah060980\nakos009503471\naba-1009631\n3-(3-(4-nitrophenyl)ureido)propanoicacid\n1-(2'-carboxyethyl)-3-(4'nitrophenyl)urea\nn-(((4-nitrophenyl)amino)carbonyl)-|a-alaninemonosodiumsalt\n",null,null,1]
[949,"benzenesulfonamide,4-[(phenylmethyl)amino]-","104-22-3","NS(=O)(=O)c1ccc(cc1)NCc2ccccc2","Nc1ccc(cc1)S(=O)(=O)NCc2ccccc2",null,"Nc1ccc(cc1)S(=O)(=O)NCc2ccccc2",2,1,1,"Verify Name","104-22-3\n4-(benzylamino)benzenesulfonamide\nbenzylsulfanilamide\nunii-ai9wdt80fq\nai9wdt80fq\n46r.p.\n46r.p\nbencilsulfamida\nbenzylsulfamidum\nac1mbrx6\np-benzylaminobenzolsulfonamid\nschembl49548\n3-14-00-02026(beilsteinhandbookreference)\nzinc1022\nchembl2104196\nchebi:135080\nmolport-003-665-184\nbdbm50013789\nstl507761\n4-(benzylamino)benzene-1-sulfonamide\nakos000236510\n4-amino-n-(phenylmethyl)benzenesulfonamide\nbenzenesulfonamide,4-((phenylmethyl)amino)-(9ci)\nz57170671\n",null,null,1]
[950,"2-propenoicacid,3-(4-methoxyphenyl)-,2-ethoxy","104-28-9",null,"CCOCCOC(=O)C=Cc1ccc(cc1)OC",null,"CCOCCOC(=O)C=Cc1ccc(cc1)OC",2,0,2,"Verify Name","cinoxate\nphiasol\nsundare\ngive-tan\n2-ethoxyethylp-methoxycinnamate\ngivtanf\n104-28-9\ngiv-tanf\ncaswellno.427e\ncinoxatum[inn-latin]\ncinoxato[inn-spanish]\nunii-5437o7n5bh\nccris4813\nhsdb7424\neinecs203-191-0\n2-propenoicacid,3-(4-methoxyphenyl)-,2-ethoxyethylester\nepapesticidechemicalcode076604\nbrn2728232\n2-ethoxyethyl-p-methoxycinnamate\ncinnamicacid,p-methoxy-,2-ethoxyethylester\ncmdkpgrtaqvgfq-rmknxtfcsa-n\n5437o7n5bh\n3-(4-methoxyphenyl)-2-propenoicacid2-ethoxyethylester\npropenoicacid,3-(4-methoxyphenyl)-,2-ethoxyethylester\n2-ethoxyethyl(e)-3-(4-methoxyphenyl)prop-2-enoate\ncinoxato\ncinoxatum\n1322-65-2\ncinoxate[usan:inn]\ncinoxate[usan:usp:inn]\ncinoxat\ngiv-tan\np-methoxycinnamicacid2-ethoxyethylester\ncinoxate(usan/inn)\nethoxyethylmethoxycinnamate\nac1nt0s3\nschembl15558\ncinoxate,analyticalstandard\n2-etoxyethylp-methoxycinnamate\n2-ethoxy-para-methoxycinnamate\nethoxyethyl-para-methoxycinnamate\nchembl2104045\n2-ethoxyethylpara-methoxycinnamate\nzinc2041136\nls-374\nan-5597\napi0002025\ncj-32515\np-methoxycinnamicacid,2-ethoxyethylester\nd03512\n2-ethoxyethyl(2e)-3-(4-methoxyphenyl)acrylate\nsr-01000945002\n2-ethoxyethyl3-(4-methoxyphenyl)-2-propenoate#\n2-propenoicacid,4-methoxy-,2-ethoxyethylester\nsr-01000945002-1\nphiasol2-propenoicacid,3-(4-methoxyphenyl)-,2-ethoxyethylester\n","Stereochemistry removed",null,1]
[975,"n,n-diethylthiourea","105-55-5","CCN(CC)C(N)=S","CCNC(=S)NCC",null,"CCNC(=S)NCC",2,1,1,"Verify Name","1,3-diethyl-2-thiourea\nn,n'-diethylthiourea\n105-55-5\n1,3-diethylthiourea\npennzonee\nthiourea,n,n'-diethyl-\nthiateh\nn,n'-diethylthiocarbamide\nurea,1,3-diethyl-2-thio-\nusafek-1803\nn,n-diethyl-2-thiourea\nnci-c03816\ndiethylthiourea\nunii-j2rdk7o9mz\nu15030\nnsc3507\nccris243\nhsdb4106\neinecs203-308-5\nj2rdk7o9mz\nbrn0773905\nn,n'-diethylthiourea(sym)\nai3-14636\nchebi:82448\nflvigyvxzhluhp-uhfffaoysa-n\ndsstox_cid_466\ndsstox_rid_75609\ndsstox_gsid_20466\ncas-105-55-5\ndiethyl-2-thiourea\ndetu\nthiourea,n'-diethyl-\n1,3-diethyl-thiourea\n1,3-diethylthiourea\nn,n/'-diethylthiourea\nn,n\\'-diethylthiourea\nacmc-1bpsx\nac1mc2ew\n1,3-diethylthiourea[qr]\ndiethylthiourea(related)\n1,3-diethyl-2-thiouree\nurea,3-diethyl-2-thio-\nn,n'-diethyl-2-thiourea\n1,3-diethyl-2-thio-ure\nec203-308-5\nschembl80644\nksc174m1n\nmls002415751\nn,n'-diethylthiourea,98%\nwln:suym1&m1\n1,3-diethyl-2-thiourea[qr]\ndiethyl-2-thiourea(related)\nchembl1611590\ndtxsid8020466\nschembl11837352\nctk0h4616\nnsc3507\nmolport-002-322-452\nhms3073i07\nks-00000w4i\nnsc-3507\nzinc3875742\ntox21_201476\ntox21_302956\nanw-15242\nmfcd00004925\nstk370054\nakos000119994\nmcule-8237270311\nncgc00090911-01\nncgc00090911-02\nncgc00256443-01\nncgc00259027-01\nr528\nsmr001252205\nab1009575\nrt-002122\nd0530\nft-0629489\nn,ninvertedexclamationmark-diethyl-thioure\nn,ninvertedexclamationmark-diethylthiouree\nc19400\nj-001446\ni14-13844\nf1995-0261\nn,ninvertedexclamationmark-diethylthiocarbamide[qr]\ninchi=1/c5h12n2s/c1-3-6-5(8)7-4-2/h3-4h2,1-2h3,(h2,6,7,8\n27598-95-4\n",null,null,1]
[1166,"sec-butylacetate","110-19-0","CCC(C)CC(=O)O","CC(=O)OCC(C)C","CC(=O)OCC(C)C","CC(=O)OCC(C)C",3,1,0,"Verify Name","isobutylacetate\n110-19-0\n2-methylpropylacetate\nisobutylethanoate\naceticacid,2-methylpropylester\n2-methyl-1-propylacetate\n2-methylpropylethanoate\naceticacid,isobutylester\nacetated'isobutyle\niso-butylacetate\nbeta-methylpropylethanoate\nisobutylacetat\naceticacidisobutylester\ni-butylacetate\nisobutylesterkyselinyoctove\nisobutylazetat\nfemanumber2175\nunii-7cr47fo6lf\nisobutylacetate(natural)\nnsc8035\nacetated'isobutyle[french]\nfemano.2175\nhsdb609\neinecs203-745-1\nun1213\nisobutylesterkyselinyoctove[czech]\nbrn1741909\n7cr47fo6lf\n.beta.-methylpropylethanoate\n2-methyl-1-propanol,acetate\nai3-15305\nchebi:50569\ngjrqtciydgxpes-uhfffaoysa-n\nisobutylacetate,98%\nisobutylacetate,99%\nisobutylacetate[un1213][flammableliquid]\nisobutylester\niso-butylacetate\nacoibu\nisobutylacetatefcc\nnat.isobutylacetate\nessigsaeureisobutylester\nisobutylacetate,8ci\nacmc-1bthi\ndsstox_cid_6837\nec203-745-1\nac1l1q4f\nbeta-methylpropylethanoate\ndsstox_rid_78223\ndsstox_gsid_26837\nschembl22678\n2-methylpropylacetate,9ci\n4-02-00-00149(beilsteinhandbookreference)\nksc175m8l\nchembl46999\nisobutylacetatereagentgrade\ndtxsid5026837\nctk0h5685\nfema2175\nks-00000wjg\nnsc8035\nisobutylacetate,98%500ml\nmolport-001-787-808\nwln:1y1&1ov1\nzinc388187\nisobutylacetate(fragrancegrade)\nacn-s002418\nnsc-8035\ntox21_201735\n7521af\nanw-16135\nisobutylacetate,analyticalstandard\nstl280347\nakos015901357\nfch1112076\nisobutylacetate,>=98%,fcc,fg\nls-2847\nmcule-4530584087\nrl00429\nrtr-002127\ntra0071737\nun1213\nncgc00249107-01\nncgc00259284-01\nan-42989\ncas-110-19-0\ncj-03148\nkb-52722\nsc-25600\nzb011344\ntr-002127\na0034\nft-0621747\nisobutylacetate,natural,>=97%,fcc,fg\npropylidene,1-(acetyloxy)-2-methyl-(9ci)\n19682-ep2269975a2\n19682-ep2269986a1\n19682-ep2269997a2\n19682-ep2270113a1\n19682-ep2272537a2\n19682-ep2272935a1\n19682-ep2275415a2\n19682-ep2275423a1\n19682-ep2281821a1\n19682-ep2287152a2\n19682-ep2287154a1\n19682-ep2305667a2\n19682-ep2314576a1\n19682-ep2380568a1\n19682-ep2380873a1\nethylidene,2-(2-methylpropoxy)-2-oxo-(9ci)\nisobutylacetate[un1213][flammableliquid]\ni14-1498\nj-002396\nf0001-0218\ninchi=1/c6h12o2/c1-5(2)4-8-6(3)7/h5h,4h2,1-3h\nisobutylacetate,unitedstatespharmacopeia(usp)referencestandard\n192888-13-4\n71740-08-4\n",null,null,0]
[1284,"barbituricacid,5-et-5-amyl","115-58-2",null,"CCCCCC1(C(NC(NC1=O)=O)=O)CC",null,"CCCCCC1(C(NC(NC1=O)=O)=O)CC",2,0,2,"Verify Name","5-ethyl-5-pentylbarbituricacid\nbarbituricacid,5-ethyl-5-pentyl-\n115-58-2\n5-aethyl-5-pentyl-(2')-barbitursaeure\nnsc32305\nunii-niz732tde0\nbrn0210185\nniz732tde0\n5-ethyl-5-n-pentylbarbituricacid\n5-aethyl-5-pentyl-(2')-barbitursaeure[german]\n5-ethyl-5-pentylpyrimidine-2,4,6(1h,3h,5h)-trione\n2,4,6(1h,3h,5h)-pyrimidinetrione,5-ethyl-5-pentyl-\namybarbital\namylbarbital\nnsc32305\nn-amylethylbarbiturate\nac1q6gdk\nac1l26me\nschembl918796\nchembl466563\nctk4a9389\ndtxsid60871596\nxygxscvumidzrr-uhfffaoysa-n\nwln:t6vmvmvfhjf5f2\nbarbituricacid,5-amyl-5-ethyl-\nnsc-32305\nnsc125478\nnsc125761\nnsc-125478\nnsc-125761\nls-24443\n5-ethyl-5-pentyl-1,3-diazinane-2,4,6-trione\n2,4,6(1h,3h,5h)-pyrimidinetrione,5-ethyl-5-pentyl-\n2,6(1h,3h,5h)-pyrimidinetrione,5-ethyl-5-pentyl-\n5-ethyl-5-pentyl-2,4,6(1h,3h,5h)-pyrimidinetrione#\n2,4,6(1h,3h,5h)-pyrimidinetrione,5-ethyl-5-pentyl-(9ci)\n",null,null,1]
[1314,"trifluorperazine","117-89-5",null,"CN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3",null,"CN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3",2,0,2,"Verify Name","trifluoperazine\ntrifluperazine\ntrifluoroperazine\ntrifluoperazina\ntrifluoperazin\ntriflurin\ntriperazine\n117-89-5\ntrifluoromethylperazine\nflurazine\nstelazine\ntrifluoperazinum\ntrifluroperizine\neskazine\ntriftazin\ntriphthasine\ntrifluoperazinehydrochloride\ntrifluoperazinehcl\ntrifluoperazina[italian]\nrp7623\nfluoperazine\ntrifluoperazine[inn:ban]\ntfp\ntrifluoperazinum[inn-latin]\ntrifluoperazina[inn-spanish]\nstellazine\ntriftazine\ntriphtazin\ntriphtazine\nnovo-trifluzine\ntrifluoromethyl-10-(3'-(1-methyl-4-piperazinyl)propyl)phenothiazine\nnsc17474\ncalmazine\nmodalina\nunii-214izi85k3\nccris6994\nc21h24f3n3s\nhsdb3195\ntrifluoperazine(inn)\n10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)phenothiazine\n10-(3-(4-methylpiperazin-1-yl)propyl)-2-(trifluoromethyl)-10h-phenothiazine\n10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10h-phenothiazine\neinecs204-219-4\napo-trifluoperazine(tn)\nnsc46061\n10-(gamma-(n'-methylpiperazino)propyl)-2-trifluoromethylphenothiazine\ntripfluoperazinehydrochloride\n10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine\n10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10h-phenothiazine\nstelazine(*dihydrochloride*)\nskf5019\nchebi:45951\n214izi85k3\n2-trifluoromethyl-10-(3'-(1-methyl-4-piperazinyl)propyl)phenothiazine\nnci17474\n10h-phenothiazine,10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-\n10-[3-(4-methyl-piperazin-1-yl)-propyl]-2-trifluoromethyl-10h-phenothiazine\ntrifluoroperazinedihydrochloride\nstelazine(tn)\nnsc17474\n10h-phenothiazine,10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-\nphenothiazine,10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-\nmls001146870\nmls002702821\n10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-10h-phenothiazine\n10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-phenothiazine\napo-trifluoperazine\nsmr001566649\nnsc-17474\ncas-440-17-5\n2-trifluoromethyl-10-[3'-(1-methyl-4-piperazinyl)propyl]phenothiazine\nphenothiazine,10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-\nterfluzine(tn)\ntrifluoperazinhcl\neskazinyl(tn)\njatroneural(tn)\neskazine(tn)\nmodalina(tn)\npmstrifluoperazine\ntrifluoperaz(tn)\nstelazineconcentrate\nsynklor(salt/mix)\nstelazine(salt/mix)\ntriftazin(salt/mix)\nspectrum_000668\nterfluzine(salt/mix)\ntriftazine(salt/mix)\njatroneural(salt/mix)\nac1l1kmt\nac1q3zye\nfluoperazine(salt/mix)\ntriphthazine(salt/mix)\nprestwick0_000313\nprestwick1_000313\nprestwick2_000313\nprestwick3_000313\nspectrum2_000828\nspectrum3_001374\nspectrum4_000368\nspectrum5_001553\nlopac-t-8516\nbiomol-nt_000060\nchembl422\nd0r4om\ncid_5566\nncistruc1_001127\nncistruc2_001093\nbidd:pxr0132\nlopac0_001232\nschembl24866\nbspbio_000306\nbspbio_001190\nbspbio_002928\ngtpl214\nkbiogr_000530\nkbiogr_000835\nkbiogr_002431\nkbioss_000530\nkbioss_001148\nkbioss_002437\nmls006011857\ndivk1c_000843\nspbio_000755\nspbio_002525\nbpbio1_000338\nbpbio1_001345\ndtxsid1046928\nbdbm79181\ncid_2913535\nkbio1_000843\nkbio2_000530\nkbio2_001148\nkbio2_002431\nkbio2_003098\nkbio2_003716\nkbio2_004999\nkbio2_005666\nkbio2_006284\nkbio2_007567\nkbio3_000959\nkbio3_000960\nkbio3_002148\nkbio3_002910\ncmap_000048\nmolport-001-727-956\nninds_000843\nzewqubupailyhi-uhfffaoysa-n\nbio1_000458\nbio1_000947\nbio1_001436\nbio2_000435\nbio2_000915\nhms1362l11\nhms1792l11\nhms1990l11\nhms2089j11\nhms3429o07\nkuc109776n\nccg-37306\nncgc00013226\npdsp1_001300\npdsp2_001284\nstk182873\nzinc19418959\nakos001487920\ndb00831\nmcule-3726407978\nidi1_000843\nidi1_002190\nksc-210-031\nmrf-0000088\nqtl1_000085\nncgc00013226-02\nncgc00013226-03\nncgc00013226-04\nncgc00013226-05\nncgc00013226-06\nncgc00013226-07\nncgc00013226-08\nncgc00013226-09\nncgc00013226-10\nncgc00013226-11\nncgc00013226-12\nncgc00013226-13\nncgc00013226-15\nncgc00024251-03\nncgc00024251-04\nncgc00024251-05\nncgc00024251-06\nncgc00024251-07\naj-73370\nan-22776\nm989\nnci60_001427\nnci60_004087\nsc-95890\nsbi-0051199.p003\nax8155275\nkb-217586\nls-105595\nab00053558\nft-0650159\n5858-ep2302003a1\n5858-ep2309505a1\nc07168\nd08636\nab00053558-27\nab00053558_28\nab00053558_29\nl001075\nsr-01000003020-6\nbrd-k89732114-001-02-6\nbrd-k89732114-001-03-4\nbrd-k89732114-001-05-9\nbrd-k89732114-300-05-5\nbrd-k89732114-300-07-1\n10-(.gamma.-(n'-methylpiperazino)propyl)-2-trifluoromethylphenothiozine\n10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-phenothiazin\n10-(gamma-(n'-methylpiperazino)propyl)-2-trifluoromethylphenothiozine\n10-[3-(4-methylpiperazin-1-yl)-propyl]-2-trifluoromethylphenothiazine\n10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10h-phenothiazine#\n10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride\n10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride\n10-[3-(4-methylpiperazino)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride\n10-(gamma-(ninvertedexclamationmark-methylpiperazino)propyl)-2-trifluoromethylphenothiazine\n10-(gamma-(ninvertedexclamationmark-methylpiperazino)propyl)-2-trifluoromethylphenothiozine\n",null,null,1]
[1333,"2-naphthalenesulfonicacid,4-hydroxy-6-(phenyla","119-19-7",null,"O=S(=O)(O)c1cc2c(c(c1)O)cc(Nc3ccccc3)cc2",null,"O=S(=O)(O)c1cc2c(c(c1)O)cc(Nc3ccccc3)cc2",2,0,2,"Verify Name","119-19-7\n7-anilino-1-naphthol-3-sulfonicacid\n4-hydroxy-6-(phenylamino)naphthalene-2-sulfonicacid\n6-anilino-4-hydroxynaphthalene-2-sulfonicacid\n6-anilino-4-hydroxynaphthalene-2-sulphonicacid\nmls002638059\nchembl1271266\ngammaacid,n-phenyl-\n6-anilino-4-hydroxy-2-naphthalenesulfonicacid\nw-108525\n2-naphthalenesulfonicacid,6-anilino-4-hydroxy-\n2-naphthalenesulfonicacid,4-hydroxy-6-(phenylamino)-\nnsc8660\nphenylgamma-acid\nn-phenylgammaacid\neinecs204-305-1\nacmc-1bovi\ncbchromo1_000073\nac1l26rk\nac1q6wx0\nac1q78jj\n2-aniline-8-hydroxy-6-naphthalenesulfonicacid\ncbdive_001845\ncid_67062\nschembl590150\nac1q78h9\nctk0h7058\ndtxsid20152277\nmolport-001-793-154\nhms3084m21\nnsc-8660\nnsc37154\nzinc1648162\nanw-17290\nbbl000678\nbdbm50328746\nnsc-37154\nstk366700\n7-anilino-1-naphthol-3-sulfonicacid\n2-anilino-8-naphthol-6-sulfonicacid\nakos005443024\nmcule-4917868370\nks-000012k5\nac-14008\nan-43294\ncc-22452\np923\nsmr000069020\nab0017281\ntc-106035\nft-0621354\np0137\nst50545251\nt7336\n6-anilino-4-hydroxy-naphthalene-2-sulfonicacid\nab00074270-01\n4-hydroxy-6-(phenylamino)naphthalene-2-sulfonate\nc-35151\nsr-01000196555\nsr-01000196555-1\n2-naphthalenesulfonicacid,4-hydroxy-6-(phenylamino)-\n4-hydroxy-6-(phenylamino)-2-naphthalenesulfonicacid\ni04-10530\n",null,null,0]
[1439,"isononene","124-11-8","C=CCCCCC(C)C","C=CCCCCCCC","C=CCCCCCCC","C=CCCCCCCC",3,1,0,"Verify Name","1-nonene\n124-11-8\nnon-1-ene\nn-non-1-ene\nnonylene\nalpha-nonene\npropylenetrimer\nnonene\nunii-ypk83lud6g\nnonene(petroleum)\nnonene-(1)\nnsc73961\nypk83lud6g\nalkenes,c8-10,c9-rich\njrzjomjeplmpra-uhfffaoysa-n\neinecs271-212-0\n1-n-none\nalkenes,c6-12alpha-\n(c6-c12)alpha-olefin\nhsdb1081\nnsc73961\neinecs204-681-7\neinecs272-491-1\nacmc-209aqo\nnonylene,isomermixture\nac1l1lbg\n1-nonene,96%\nac1q2vw4\nnciopen2_000424\n1-nonene,analyticalstandard\nalkenes,c8-1o,c9-rich\n1-nonene[standardmaterialforgc]\ndtxsid2059562\nchebi:77443\nctk0h7275\nmolport-001-756-621\nzinc1699425\n8130af\nanw-18190\nlmfa11000323\nnsc-73961\nsbb060474\nakos009157987\n1-c9h18\nmcule-8103203416\nrtr-003751\ntra0071988\nvz34252\nks-0000155p\n31387-92-5\n68855-57-2\nan-43517\nkb-13036\ndb-041765\nls-195626\ntr-003751\nft-0608167\nn0295\nn0613\ns0339\nst51046651\nec271-212-0\n76368-ep2292589a1\n76368-ep2308960a1\nj-005044\ni14-17988\nunii-m0tb9rxk4bcomponentjrzjomjeplmpra-uhfffaoysa-n\n",null,null,1]
[1472,"hydrocortisone-9a-fluoro","127-31-1",null,"CC12C(=CC(CC1)=O)CCC3C2(C(CC4(C3CCC4(O)C(=O)CO)C)O)F",null,"CC12C(=CC(CC1)=O)CCC3C2(C(CC4(C3CCC4(O)C(=O)CO)C)O)F",2,0,2,"Verify Name","fludrocortisone\nfluorocortisone\nfluohydrisone\nfluorocortisol\nflorinef\nastonin-h\nfluohydrocortisone\nfludrocortone\nalflorone\nfludrone\nfludronef\nfluodrocortisone\n127-31-1\nf-cortef\n9alpha-fluorocortisol\nfludrocortisona\nfludrocortisonum\nf-col\n9-fluorocortisol\n9alphaff\n9-fluorohydrocortisone\ncortisol,9-fluoro-\nstc1400\n9alpha-fludrocortisone\n9-afh\n9-alpha-fluorocortisol\n9.alpha.ff\n9-alpha-fludrocortisone\nfludrocortisonum[inn-latin]\n9.alpha.-fluorocortisol\nfludrocortisona[inn-spanish]\n9-af\nfludrocortisone[inn:ban]\n9-alpha-fluorohydrocortisone\n9alpha-fluoro-hydrocortisone\nfcol\n9.alpha.-fluorohydrocortisone\ncorticosterone,9-fluoro-17-hydroxy-\nu5963\n9alphafludrohydrocortisone\n9alpha-fluorohydrocortisone\nhydrocortisone-9alpha-fluoro\nnsc11318\n9-fluoro-17-hydroxycortisone\n9alpha-fluoro-17-hydroxycorticosterone\n9-alpha-fluoro-17-hydroxycorticosterone\nastonin-h(tn)\nunii-u0476m545b\n9alpha-fluorocortisol\nc21h29fo5\nfludrocortisone(inn)\nhsdb3332\n9alpha-fludrocortisone\n9-fluoro-11beta,17,21-trihydroxypregn-4-ene-3,20-dione\neinecs204-833-2\nbrn3014278\n9alpha-fluoro-17-hydroxycorticosterone\n9.alpha.-fluoro-17-hydroxycorticosterone\n9-fluoro-11-beta,17,21-trihydroxypregn-4-ene-3,20-dione\nchebi:50885\naaxvemmrqdvljb-bulbtxnysa-n\n9alpha-fluoro-11beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione\npregn-4-ene-3,20-dione,9-fluoro-11,17,21-trihydroxy-,(11beta)-\nlmst02030103\nu0476m545b\n(8s,9r,10s,11s,13s,14s,17r)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one\nzk5\nncgc00181081-01\npregn-4-ene-3,20-dione,9-fluoro-11beta,17,21-trihydroxy-\n(11beta)-9-fluoro-11,17,21-trihydroxypregn-4-ene-3,20-dione\n9alpha-fluoro-11beta,17alpha,21-trihydroxy-pregn-4-ene-3,20-dione\ndsstox_cid_3061\ndsstox_rid_76858\ndsstox_gsid_23061\n9-fluoro-11.beta.,17,21-trihydroxypregn-4-ene-3,20-dione\nastonin\npregn-4-ene-3,20-dione,9-fluoro-11-beta,17,21-trihydroxy-\nastoninmerck\n9fluorocortisol\nastoninh\nmerck,astonin\n9.alpha.-fluoro-11.beta.,17.alpha.,21-trihydroxy-4-pregnene-3,20-dione\ncas-127-31-1\n9fluorohydrocortisone\n9alphafluorohydrocortisone\nfludrocortison\n9fluoro17hydroxycortisone\nflorinef(tn)\nprestwick_648\n9alpha-flourocortisol\n9alphafluoro17hydroxycorticosterone\n9.alpha.-fluorcortisol\nac1q5hjh\nbmse000987\nbmse001009\nd00ekn\nd0r7jt\nac1l1li8\nschembl4545\n4-08-00-03427(beilsteinhandbookreference)\nmerckbrandoffludrocortisone\ngtpl2873\nchembl1201388\ndtxsid7023061\nhy-b1203\nnsc11318\nzinc4097304\ntox21_112700\ntox21_113344\nnsc-11318\ntox21_113344_1\n9|a-fludrocortisone;9|a-fluorcortisol\ncs-4832\ndb00687\nncgc00274078-01\nan-43583\nbc226402\nkb-302637\nls-118690\nc07004\nd07967\n20529-ep2314585a1\nc-55198\nw-108386\npregn-4-ene-3,9-fluoro-11.beta.,17,21-trihydroxy-\nwln:le5b666ovmutja1bfcqe1fv1qfq\n9-fluoro-11.beta.,21-trihydroxypregn-4-ene-3,20-dione\n(11.beta.)-9-fluoro-11,17,21-trihydroxypregn-4-ene-3,20-dione\n9.alpha.-fluoro-11.beta.,21-trihydroxy-4-pregnene-3,20-dione\npregn-4-ene-3,9-fluoro-11,17,21-trihydroxy-,(11.beta.)-\npregn-4-ene-3,20-dione,9-fluoro-11.beta.,17,21-trihydroxy-\npregn-4-ene-3,20-dione,9-fluoro-11beta,17,21-trihydroxy-(8ci)\npregn-4-ene-3,20-dione,9-fluoro-11,17,21-trihydroxy-,(11|a)-\n9-fluoro-11,17,21-trihydroxypregn-4-ene-3,20-dione,(11.beta.)-#\npregn-4-ene-3,20-dione,9-fluoro-11beta,17,21-trihydroxy-(8ci)\n","Stereochemistry removed",null,1]
[1478,"acetamide,n-[4-[[(4-methyl-2-pyrimidinyl)amino]","127-73-1",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(ccn2)C",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(ccn2)C",2,0,2,"Verify Name","acetylsulfamerazine\nn-acetylsulfamerazine\n127-73-1\nn(4)-acetylsulfamerazine\nn-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide\nn-(4-(n-(4-methylpyrimidin-2-yl)sulfamoyl)phenyl)acetamide\nn-[4-(4-methyl-pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide\nn-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide\nsulfamelazine\neinecs204-861-5\nn4-acetylsulfamerazine\nac1q6vzq\noprea1_038070\noprea1_673806\nmls001205096\nac1l270t\nchembl1559815\nschembl13409107\nctk8g1568\nzinc69785\ndtxsid40155361\nmolport-001-957-257\nhms2829a16\nstk061358\nakos000715058\nmcule-9117048730\nncgc00245253-01\nbas01174250\nsmr000516270\nkb-300900\nft-0661366\nst50247712\nsr-01000451152\nj-005535\nsr-01000451152-1\nf0914-3223\nn-(4-(((4-methyl-2-pyrimidinyl)amino)sulphonyl)phenyl)acetamide\nn-(4-{[(4-methylpyrimidin-2-yl)amino]sulfonyl}phenyl)acetamide\nn-[4-[[(4-methyl-2-pyrimidinyl)amino]sulfonyl]phenyl]acetamide\n4invertedexclamationmark-[(4-methyl-2-pyrimidinyl)sulfamoyl]acetanilide\n",null,null,0]
[1479,"acetamide,n-[4-[(2-pyrimidinylamino)sulfonyl]ph","127-74-2",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",2,0,2,"Verify Name","127-74-2\nn-acetylsulfadiazine\nn(4)-acetylsulfadiazine\nn-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide\nacetylsulfadiazine\nn4-acetylsulfadiazine\nunii-5417251gz4\nchebi:83458\nnjizuwgmncukgu-uhfffaoysa-n\nn-{4-[(pyrimidin-2-ylamino)sulfonyl]phenyl}acetamide\n5417251gz4\nacetamide,n-[4-[(2-pyrimidinylamino)sulfonyl]phenyl]-\nn-[4-[(2-pyrimidinylamino)sulfonyl]phenyl]acetamide\nn-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}acetamide\nn-acetylsulfadiazine\neinecs204-862-0\n4n-acetylsulfadiazine\nn4-acetylsulfadiazin\n4'-(pyrimidin-2-ylsulphamoyl)acetanilide\nmaybridge1_004378\ncbmicro_049018\ncambridgeid5572576\noprea1_231698\noprea1_640747\nmls000106803\nac1l22a8\nschembl4123540\nchembl1608836\nctk4b5708\nhms553o24\ndtxsid00155362\nmolport-001-503-295\nhms2438g16\nzinc116952\nacm127742\njfd02937\nstk076119\nakos000673412\nab05491\napi0000680\nccg-253674\nmcule-7442664297\nbas00628033\nsmr000111179\nbim-0049071.p001\nkb-303280\n2-[(p-acetamidophenyl)sulfonamido]pyrimidine\neu-0043201\nft-0661365\nst50186065\n4-acetylamino-n-pyrimidin-2-yl-benzenesulfonamide\nn-[4-(pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide\nsr-01000478195\nj-005536\nsr-01000478195-1\nacetamide,n-[4-[(2-pyrimidinylamino)sulfonyl]phenyl]-\nn-(4-(n-pyrimidin-2-ylsulfamoyl)phenyl)acetamide\n4invertedexclamationmark-(2-pyrimidinylsulfamoyl)acetanilide\nn-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide(acetylsulfadiazine)\n5572-57-6\n",null,null,1]
[1480,"acetamide,n-[4-[(2-thiazolylamino)sulfonyl]phen","127-76-4",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2sccn2",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2sccn2",2,0,2,"Verify Name","acetylsulfathiazole\n127-76-4\nn-(4-(n-(thiazol-2-yl)sulfamoyl)phenyl)acetamide\nunii-3vvr2do782\nn4-acetylsulfathiazole\nc11h11n3o3s2\n4'-(thiazol-2-ylsulphamoyl)acetanilide\nacetamide,n-[4-[(2-thiazolylamino)sulfonyl]phenyl]-\n3vvr2do782\nchebi:83459\nn-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide\nn-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}acetamide\n4-acetylamino-n-thiazol-2-yl-benzenesulfonamide\nacetamide,n-(4-((2-thiazolylamino)sulfonyl)phenyl)-\nn-acetylsulfathiazole\neinecs204-864-1\nai3-18631\nn(4)-acetylsulfathiazole\noprea1_244207\noprea1_253061\nmls001183461\nac1l270z\nac1q6w22\naronis018795\nschembl1102252\nchembl1350909\nzinc62868\nkxnxwinfsdkmhd-uhfffaoysa-n\nmolport-001-026-693\nhms2817i19\np-(2-thiazolylsulfamyl)acetanilide\nks-00004aw8\n5368aa\nstk088750\nakos000486289\nmcule-3491119737\nncgc00247316-01\nncgc00247316-02\nncgc00247316-03\nsmr000502008\nax8247536\nkb-187724\nst4027587\nft-0654707\nn-[4-(thiazol-2-ylsulfamoyl)phenyl]acetamide\nsr-01000395497\nbenzenesulfonamide,4-acetylamino-n-(2-thiazolyl)-\ni14-1033\nsr-01000395497-1\nn-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide\nz30538098\nf0012-0791\na1255/0057365\nn-(4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl)acetamide#\n",null,null,1]
[1507,"npa(naptalam)","132-66-1",null,"O=C(O)c1c(cccc1)C(=O)Nc2c3c(ccc2)cccc3",null,"O=C(O)c1c(cccc1)C(=O)Nc2c3c(ccc2)cccc3",2,0,2,"Verify Name","naptalam\n132-66-1\ngrelutin\nalanap\nalanape\nanalape\ndyanap\npeach-thin\nn-1-naphthylphthalamicacid\nmor-cran\nalanap1\nalanap3\nnaphthalam\nancrack\nalanap10gat\nnip-a-thin\nn-(1-naphthyl)phthalamicacid\n1-n-naphthylphthalamicacid\nalanap-2\n2-(naphthalen-1-ylcarbamoyl)benzoicacid\nnaptalame\ncyanap\nnaptro\nalanapplus\nalpha-naphthylphthalamicacid\nn-1-naphthyl-phthalamidsaeure\nalanap10g\nnaftalam\nphthalamicacid,n-1-naphthyl-\npeachthin322\nacp322\ncaswellno.592\nn-1-naphthylphthalamate\n2-[(1-naphthylamino)carbonyl]benzoicacid\nn-alpha-naphthylphthalamicacid\nnaftalam[czech]\nnpa\nnaptalam[bsi:iso]\n2-((1-naphthalenylamino)carbonyl)benzoicacid\nhsdb1742\nnaptalame[iso-french]\nbenzoicacid,2-[(1-naphthalenylamino)carbonyl]-\nnpa(van)\nkyselinan-1-naftylftalamova\nepapesticidechemicalcode030702\nnsc204421\nn-1-naphthalenephthalamicacid\n6q8\nunii-306r88v86p\nnaphthylphthalamicacid\nai3-23463\nn-(1-naphthalenyl)phthalamicacid\n2-(1-naphthylcarbamoyl)benzoicacid\nkyselinan-1-naftylftalamova[czech]\nn-1-napthylphthalamicacid\nbenzoicacid,2-((1-naphthalenylamino)carbonyl)-\nbrn2814102\nn-1-naphthyl-phthalamidsaeure[german]\nn-1-naphthylphthalamidicacid\n.alpha.-naphthylphthalamicacid\nchebi:60833\njxthewskylzvjc-uhfffaoysa-n\nn-(.alpha.-naphthyl)phthalamicacid\n306r88v86p\nfr-1032\n2-[n-(1-naphthylcarbamoyl)]benzoicacid\n2-(n-naphthylcarbamoyl)benzoicacid\n2-((1-naphthalenylamino)carbonylbenzoicacid\n2-[(1-naphthalenylamino)carbonylbenzoicacid\nbenzoicacid,2-((1-naphthalenylamino)carbonyl)-(9ci)\nbenzoicacid,2-[(1-naphthalenylamino)carbonyl]-(9ci)\nalanap1\nalanap10gat\nalanap10g\nsolo(salt/mix)\nacp322\nacmc-209bpp\nac1l1rbg\n1-naphthylphthalamicacid\npremergeplus(salt/mix)\ndsstox_cid_12437\ndsstox_rid_78947\ndsstox_gsid_32437\noprea1_065903\noprea1_469302\nschembl54940\ncbdive_002040\nnaptalam,analyticalstandard\n3-12-00-02876(beilsteinhandbookreference)\nn-(1-naphthyl)phthalamicacid\nwln:l66jbmvrbvq\nphthalamicacid,n-1-naphthyl\nphthalamicacid,n-1-naphthyl-\n[3h]-npa\n1-(n-naphthyl)phthalamicacid\naronis018728\niflab1_001003\nchembl2447888\ndtxsid6032437\nbdbm81777\nctk0d2202\njxthewskylzvjc-uhfffaoysa-\nks-00004aue\nn-(1-naphthyl)phthalamidicacid\nzinc28113\nnpa,(-)\nmolport-000-389-108\nn-.alpha.-naphthylphthalamicacid\nhms1414n13\nn-naphthalen-1-yl-phthalamicacid\n132-67-2(hydrochloridesalt)\nks-000013ca\nnsc_8594\ntox21_302279\nanw-19451\nn-(1-naphthyl)phthalamicacid\nnsc204421\nsbb008186\nstk072761\nakos000485934\nmcule-3496128683\nnsc-204421\nrtr-004458\nncgc00255281-01\naj-08466\nak-57895\ncas-132-66-1\nst001288\nbb0274029\nls-109086\n2-((1-naphthalenylamino)carbonyl)benzoicacid\nft-0629075\nn0067\nnaptalam,pestanal(r),analyticalstandard\nphthalamicacid,n-1-naphthyl-(7ci,8ci)\n2-((1-naphthalenylamino)carbonyl)-benzoicaci\n2-[(1-naphthylamino)carbonyl]benzoicacid#\nbenzoicacid,2-[(naphthalenylamino)carbonyl]-\nc18869\nae-017/30049056\nl001060\nsr-01000392378\nj-006203\nsr-01000392378-1\ni14-18114\nf0290-1094\n112284-33-0\ninchi=1/c18h13no3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11h,(h,19,20)(h,21,22)\n",null,null,1]
[1534,"methyldithiocarbamicacid,nasalt","137-42-8",null,"CNC(=S)S",null,"CNC(=S)S",2,0,2,"Verify Name","metam-sodium\nmethamsodium\nmetamsodium\ncarbathione\n137-42-8\ncarbathion\ncarbothion\nmetamsodium\ncarbam\nsodiummethyldithiocarbamate\nnematin\nvapam\ncarbation\nkarbation\nmapasol\nmasposol\nsepivam\nsmdc\nsolasan\nsometam\ntrimaton\nvaporooter\nsistan\ngeort\nmonam\nbasamid-fluid\nmethan-sodium\nsodiummetam\nsodiummetham\nmethamdihydrate\nsodiumn-methyldithiocarbamate\nsectagonii\nsoil-prep\nmetam-fluidbasf\nmetham[german]\nmethylcarbamodithioicacidsodiumsalt\nvpm(fungicide)\na7vapam\nsodiummethylcarbamodithioate\nsolasan500\nsolesan500\ncaswellno.780\nmetam-sodium[iso]\nmethamsodium(van)\nmethan-sodiumdihydrate\nsodiummonomethyldithiocarbamate\nsodiumn-methylaminodithioformate\nunii-3cd7ukn224\nmethyldithiocarbamicacid,sodiumsalt\ncarbamodithioicacid,methyl-,monosodiumsalt\nmetham\ndiethylamino-2,6-acetoxylidide\nmetamsodiumsolution\nmonosodiummethylcarbamodithioate\nhsdb1767\nmethyldithiokarbamansodny[czech]\nbay5590\nnsc3515\neinecs205-293-0\nmethyldithiocarbamate\nepapesticidechemicalcode039003\nsodiumn-methyldithiocarbamatedihydrate\nsodiumn-methylaminomethanethionothiolate\nnatrium-n-methyl-dithiocarbamaat[dutch]\nnatrium-n-methyl-dithiocarbamat[german]\nn-methylaminodithioformicacidsodiumsalt\nn-methyldithiocarbamatedesodium[french]\nsodiumn-methylcarbamodithioate\nmethyldithiokarbamansodnydihydrat[czech]\nn-metil-ditiocarbammatodisodio[italian]\n3cd7ukn224\ncarbamicacid,n-methyldithio-,sodiumsalt\nn869\nn-869\nunii-kvf5fz1b0p\ncarbamicacid,methyldithio-,monosodiumsalt\nchebi:81737\nmetam-sodium[dutch,french,german,italian]\nn-methylaminomethanethionothiolicacidsodiumsalt\ncarbamicacid,methyldithio-,sodiumsalt,dihydrate\nnatrium-n-methyl-dithiocarbamat\nsodiumn-methyldithiocarbamatesolution\nnatrium-n-methyl-dithiocarbamaat\ncarbamodithioicacid,methyl-,monosodiumsalt,dihydrate\nn-methyldithiocarbamatedesodium\nn-metil-ditiocarbammatodisodio\nmetam-sodiumhydrate\nsodiummethyldithiocarbamatedihydrate\nc2h4ns2.na\nkvf5fz1b0p\n6734-80-1\nvdm\nvpm\n144-54-7(parent)\nironmethyldithiocarbamate\nmethyldithiokarbamansodny\ntrimaton(r)\nmethyldithiokarbamansodnydihydrat\nsmdc(r)\nvpm(r)\nmagnesium(2:1)methyldithiocarbamate\nmetham-sodiumhydrate\nac1nsnjr\nmonosodiummethyldithiocarbamatedihydrate\nc2h4nnas2\ndsstox_cid_9167\nsodiummethyldithiocarbamate\ndsstox_rid_78695\ndsstox_gsid_29167\nschembl22057\nn869(r)\nchembl2251719\ndtxsid2029167\nctk8e6704\nafccddwkhlhpdf-uhfffaoysa-m\ntox21_302361\nakos003375866\nakos006282527\nncgc00255300-01\nan-23137\ncas-137-42-8\nls-50167\nls-50168\no447\ntr-004989\nft-0694890\nc18424\n133218-ep2269989a1\n133218-ep2269990a1\n133218-ep2295406a1\n137m428\ni09-2050\nj-007020\ncarbamicacid,methyldithio-,monosodiumsalt(8ci)\ncarbamodithioicacid,methyl-,monosodiumsalt(9ci)\ncarbamodithioicacid,methyl-,monosodiumsalt,dihydrate(9ci)\n",null,null,1]
[1636,"1,3-bis(2-chloroet)-1-nitrosourea","154-93-8",null,"O=NN(CCCl)C(=O)NCCCl",null,"O=NN(CCCl)C(=O)NCCCl",2,0,2,"Verify Name","carmustine\n154-93-8\n1,3-bis(2-chloroethyl)-1-nitrosourea\nbcnu\ncarmustin\nnitrumon\ncarmubris\ngliadel\nbicnu\nbicnu\nbischlorethylnitrosurea\nbischlorethylnitrosourea\ncarmustina\ncarmustinum\nbecenum\nbecenun\nbischloroethylnitrosourea\nn,n'-bis(2-chloroethyl)-n-nitrosourea\nbis(2-chloroethyl)nitrosourea\nurea,n,n'-bis(2-chloroethyl)-n-nitroso-\ngliadelwafer\nbischloroethylnitrosourea\nfda0345\nsri1720\n1,3-bis(2-chloroethyl)nitrosourea\nbicnu(tn)\ncarmustinum[inn-latin]\ncarmustina[inn-spanish]\ndti015\nnci-c04773\nsk27702\nfivb\nnsc-409962\nbis(2-chloroethyl)1-nitrosourea\nbis(chloroethyl)nitrosourea\nbis-n,n'-(chloroethyl)nitrosourea\nccris810\ncarmustine[usan:inn:ban]\nnsc409962\nunii-u68wg3173y\ncarmustineinethanol\n1,3-bis(beta-chloroethyl)-1-nitrosourea\nbcnu[chloroethylnitrosoureas]\neinecs205-838-2\nnsc409962\nchembl513\n1,3-bis(2-chloroethyl)-3-nitrosourea\nbrn2049744\n1,3-bis(2-chloroethyl)-1-nitroso-urea\nai3-52216\nchebi:3423\nurea,1,3-bis(2-chloroethyl)-1-nitroso-\ndlgoemsedoskad-uhfffaoysa-n\nu68wg3173y\nbischloroethylnitrosourea[chloroethylnitrosoureas]\nncgc00015204-05\n1,3-bis(.beta.-chloroethyl)-1-nitrosourea\n1,3-bis(chloroethyl)-1-nitrosourea\ndsstox_cid_2743\nc0400\ndsstox_rid_76712\ndsstox_gsid_22743\ncas-154-93-8\nsr-01000075736\nc5h9cl2n3o2\ncarustine\nhsdb7761\ncarmustine[usan:usp:inn:ban]\ncarmustine(bicnu)\nprestwick_997\ngliadel(tn)\ncarmustine(bicnu)/\ngliadel(mgipharm)\nspectrum_000265\ncarmustine,>=98%\nac1l1dzq\ncarmustine(usan/inn)\nspectrum4_000888\nspectrum5_000920\nlopac-c-0400\nwln:onn2gvm2g\nd0s9ut\nschembl4503\nlopac0_000188\nkbiogr_001296\nkbioss_000745\nc5h11cl2n3o2\nmls001333962\ncarmustine(jan/usan/inn)\ndivk1c_000835\ngtpl6800\ndtxsid8022743\nctk8b8775\nhms502j17\nkbio1_000835\nkbio2_000745\nkbio2_003313\nkbio2_005881\naob6824\nmolport-003-665-505\nninds_000835\nhms2092j22\nhms2230i05\nhms3260f17\nhms3369d17\npharmakon1600-01503110\nbcp27690\nzinc3830387\ntox21_110097\ntox21_500188\nabp000292\nanw-61236\nbdbm50015950\nccg-39925\nls-890\nmfcd00057706\nnsc758392\nstk624770\nakos005558013\ntox21_110097_1\nan-1123\nbcp9000490\ncs-2935\ndb00262\nlp00188\nmcule-3131772074\nnsc-758392\nidi1_000835\nurea,3-bis(2-chloroethyl)-1-nitroso-\nncgc00015204-01\nncgc00015204-02\nncgc00015204-03\nncgc00015204-04\nncgc00015204-06\nncgc00015204-07\nncgc00015204-08\nncgc00015204-09\nncgc00093665-01\nncgc00093665-02\nncgc00093665-03\nncgc00093665-04\nncgc00260873-01\nurea,n'-bis(2-chloroethyl)-n-nitroso-\n4ca-0349\nac-24196\nas-12106\nhy-13585\nn,n''-bis(2-chloroethyl)-n-nitrosourea\nnci60_003931\nsc-17305\nsmr000058426\n1,3-bis(beta.-chloroethyl)-1-nitrosourea\nsbi-0050176.p003\nab0011283\nab2000140\ngliadel;bcnu;nsc-409962;becenun;bicnu\nkb-216399\ntc-149981\neu-0100188\nft-0083563\nft-0602937\nst24036755\nbcnu;1,3-bis(2-chloroethyl)-1-nitrosourea\nc06873\nd00254\n13167-ep2270014a1\n13167-ep2272827a1\n13167-ep2272832a1\n13167-ep2275420a1\n13167-ep2277876a1\n13167-ep2292614a1\n13167-ep2295055a2\n13167-ep2295416a2\n13167-ep2295426a1\n13167-ep2295427a1\n13167-ep2298748a2\n13167-ep2298764a1\n13167-ep2298765a1\n13167-ep2298768a1\n13167-ep2298778a1\n13167-ep2305642a2\n13167-ep2308861a1\n13167-ep2311453a1\n13167-ep2311808a1\n13167-ep2311825a1\n13167-ep2311829a1\n13167-ep2311842a2\n13167-ep2314590a1\n13167-ep2316832a1\n13167-ep2316833a1\n13167-ep2316834a1\n13167-ep2374454a1\n15164-ep2272827a1\n15164-ep2316832a1\n15164-ep2316833a1\nab00052431-07\nab00052431_08\n154c938\na809590\ngliadel,bcnu,nsc-409962,becenun,carmustine\nsr-01000075736-1\nsr-01000075736-3\nw-108025\ni14-11976\nz1563145982\ncarmustine,unitedstatespharmacopeia(usp)referencestandard\n1-(2-chloroethyl)-1-([(2-chloroethyl)amino]carbonyl)-2-oxohydrazine#\n1159711-15-5\n1191292-23-5\n",null,null,1]
[1648,"benz(a,j)aceanthrylene","203-20-3",null,"c1cc-2c(cc1)-c3c4c(cc5cccc2c53)c6c(cc4)cccc6",null,"c1cc-2c(cc1)-c3c4c(cc5cccc2c53)c6c(cc4)cccc6",2,0,2,"Verify Name","naphtho(2,1-a)fluoranthene\n203-20-3\nnaphtho[2,1-a]fluoranthene\nbrn2377394\n15,16-benzodehydrocholanthrene\ndibenz[a,j]aceanthrylene\ndibenz(a,j)aceanthrylene\nac1l1sf4\nnaphtho[2,1a]fluoranthene\n3-05-00-02618(beilsteinhandbookreference)\nchebi:82498\nctk1a2912\ndtxsid90174183\nakos030593794\ndibenz[a,j]aceanthrylene(7ci,8ci,9ci)\nls-60263\nc19466\n",null,null,1]
[1662,"12h-benzo[c]phenothiazine","225-83-2","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4","c1cc2c(cc1)Sc3c(N2)c4c(cc3)cccc4",null,"c1cc2c(cc1)Sc3c(N2)c4c(cc3)cccc4",2,1,1,"Verify Name","12h-benzo[a]phenothiazine\nbenzophenothiazine\n225-83-2\nbenzo(a)phenothiazine\nbenzo[a]phenothiazine\n12h-benzo(a)phenothiazine\n12h-7-thia-12-azabenz(a)anthracene\n12h-7-thia-12-azabenz[a]anthracene\neinecs205-931-8\nnsc88195\n6,7-benzophenothiazine\nunii-kcp1a0jvz9\nkcp1a0jvz9\nac1q7g3i\nnciopen2_005235\n12h-benzo-[a]phenothiazine\n7h-benzo[c]phenothiazine#\noprea1_250452\nschembl26797\n(12h)-benzo(a)phenothiazine\nac1l27m3\nchembl390824\ndtxsid8059760\nctk1a4707\nmolport-003-712-910\npgigzwjijsinod-uhfffaoysa-n\nnsc88195\nzinc1507784\nacm225832\nbbl024985\nnsc-88195\nstl286881\nakos022061446\nmcule-2471268398\n28453-74-9\nh1596\nm-627\nsr-01000394314\nsr-01000394314-1\n",null,null,0]
[1699,"dmpa","299-85-4","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(C3)C)=CC(=O)CC4)C)CC2)C)C(C)=O","COP(=S)(NC(C)C)Oc1c(cc(cc1)Cl)Cl","COP(=S)(NC(C)C)Oc1c(cc(cc1)Cl)Cl","COP(=S)(NC(C)C)Oc1c(cc(cc1)Cl)Cl",3,1,0,"Verify Name","zytron\ndmpa(herbicide)\nzytronherbicide\ndowco118\ncaswellno.323\ndow1329\noms115\n299-85-4\nent25647\nphosphoramidothioicacid,(1-methylethyl)-,o-(2,4-dichlorophenyl)o-methylester\no-(2,4-dichlorophenyl)o-methylisopropylphosphoramidothioate\nk22023\nepapesticidechemicalcode028401\nbrn2143189\nai3-25647\npjfgpjqbwsewkx-uhfffaoysa-n\nisopropylphosphoramidothioicacid,o-2,4-dichlorophenylo-methylester\nphenol,2,4-dichloro-,o-esterwitho-methylisopropylphosphoramidothioate\n(1-methylethyl)phosphoramidothioicacido-(2,4-dichlorophenyl)o-methylester\no-methyl-o-(2,4-dichlorfenyl)esterkyselinyisopropylamidothiofosforecne\no-methyl-o-(2,4-dichlorfenyl)esterkyselinyisopropylamidothiofosforecne[czech]\nphosphoramidothioicacid,isopropyl-,o-(2,4-dichlorophenyl)o-methylester\nac1l1srg\nschembl584248\n(+)-dmpa\n(?)-dmpa\ndtxsid1058052\nctk4g4166\ndb11768\n21248-23-7\nls-107427\nn-[-methoxy-phosphinothioyl]propan-2-amine\nunii-ik51552ifhcomponentpjfgpjqbwsewkx-mrxnpfedsa-n\nn-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine\no-(2,4-dichlorophenyl)o-methylisopropylamidothiophosphate#\no-(2,4-dichlorophenyl)o-methyln-isopropylphosphoramidothioate\no-(2,4-dichlorophenyl)-o-methyl-isopropylphosphoramidothioate\nphosphoramidothioicacid,n-(1-methylethyl)-,o-(2,4-dichlorophenyl)o-methylester\n21248-24-8\n21248-25-9\n","Stereochemistry removed",null,1]
[1714,"Benzenepropanoic acid, .alpha.,beta.-dihydroxy-","306-23-0",null,"O=C(O)C(O)Cc1ccc(cc1)O",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[1733,"a-aminocaproicacid","327-57-1",null,"CCCCC(N)C(=O)O",null,"CCCCC(N)C(=O)O",2,0,2,"Verify Name","l-norleucine\n327-57-1\nnorleucine\nh-nle-oh\n(s)-2-aminohexanoicacid\nglycoleucine\ncaprine\nl-(+)-norleucine\nl-2-aminohexanoicacid\n2-aminocaproicacid\nl-2-aminohexanoate\nl-aminohexanoate\nalpha-aminocaproicacid\n(2s)-2-aminohexanoicacid\nnorleucine(van)\n(s)-(+)-2-aminohexanoicacid\nl-aminohexanoicacid\nhexanoicacid,2-amino-,(s)-\n2s-amino-hexanoicacid\n(s)-2-aminocaproicacid\n(s)-norleucine\nl(+)-norleucine\nnsc10378\neinecs206-321-4\nbrn1721750\nnle\nchebi:18347\nlrqkblkvpfooqj-yfkpbyrvsa-n\n(s)-2-aminohexanoate\nl(+)-norleucine,99+%\nnorleucine,l-\n2-amino-hexanoicacid\n496-90-2\n.alpha.-aminocaproicacid\n2-aminocaproate\n2-aminohexanoate\n5157-09-5\n(s)-aminohexanoate\npubchem21410\n(s)-aminohexanoicacid\n(s)-2-amino-hexanoate\nac1l2hwh\nbmse000411\nd00eft\nac1q2uo7\nschembl8393\nn-c4h9ch(nh2)cooh\n(s)-2-amino-hexanoicacid\n(2s)-2-azanylhexanoicacid\n4-04-00-02686(beilsteinhandbookreference)\nn6877_sigma\nchembl292439\n(s)-()-2-aminohexanoicacid\nctk1c2777\nl-norleucine,>=98%(tlc)\nmolport-001-792-901\nhy-y0017\nks-00000ja7\nzinc1529322\nanw-74499\nfd3031\nlmfa01100042\nmfcd00064423\nsbb065920\nakos006240047\nam82584\ncs-w020710\nrtr-013745\nac-22372\naj-26586\nak-49687\nas-13136\nh414\nkb-53333\nls-97307\nab1007197\ndb-048259\ntr-013745\nft-0627603\nn0303\nst24030823\nc01933\nk-7592\nm03242\nn-8800\n327n571\na827805\ni04-0856\nj-300345\nb9cd20c9-2708-47d2-bef1-0ba8bb0628ac\n(s)-(+)-2-aminohexanoicacid,(s)-2-aminocaproicacid\n(s)-(+)-2-aminohexanoicacid;(s)-2-aminocaproicacid\nl-norleucine,suitableforaminoacidanalysis,bioreagent\nunii-5c81be5gkkcomponentlrqkblkvpfooqj-yfkpbyrvsa-n\nunii-832c8ov84scomponentlrqkblkvpfooqj-yfkpbyrvsa-n\nunii-jcm10841jecomponentlrqkblkvpfooqj-yfkpbyrvsa-n\n1013313-52-4\n","Stereochemistry removed",null,1]
[1750,"Glycocyamine","352-97-6","N=C(N)NCC(=O)O",{"$nulls":3},1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[1753,"GLYCODEOXYCHOLIC ACID","360-65-6","CC(CCCNCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C","CC(CCCNCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C",null,null,2,0,2,"Search at least one confirmation",null,"Stereochemistry removed",null,0]
[1782,"Azuleno[6,5-b]furan-2,6-(3H,4H)-dione, 3a,7,7a,8","436-45-3",null,"CC=1C(CC2C1C(O)C3C(C(OC3CC2C)=O)C)=O",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,0]
[1806,"1,3,5-Trioxane-2,4,6-triimine","462-02-2","N=c1oc(oc(o1)=N)=N",{"$nulls":3},1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[1832,"Cyclopentaneacetic acid, 3-carboxy-.alpha.,.alph","473-35-8",null,"CC(C)(C(=O)O)C1CC(CC1)C(=O)O",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[1845,"3h-pyrazol-3-one,1,2-dihydro-1,5-dimethyl-4-(1-","479-92-5",null,"Cc1n(n(c(c1C(C)C)=O)-c2ccccc2)C",null,"Cc1n(n(c(c1C(C)C)=O)-c2ccccc2)C",2,0,2,"Verify Name","propyphenazone\nisopropylantipyrine\n4-isopropylantipyrine\nisopropylphenazone\n479-92-5\nisopropyrine\nisopropylantipyrin\nisopropylantipyrinum\nlarodon\npropifenazona\npropyphenazonum\nisopropchin\n1-phenyl-2,3-dimethyl-4-isopropyl-3-pyrazolin-5-one\n1-phenyl-2,3-dimethyl-4-isopropylpyrazol-5-one\npropifenazone[dcit]\npropyphenazon\nbudirol\ncausyth\ncibalgina\nunii-oed8fv75py\npropifenazona[inn-spanish]\npropyphenazonum[inn-latin]\n4-isopropylphenazone\nccris6716\npropyphenazone[inn:ban:dcf]\nantipyrine,4-isopropyl-\n4-isopropyl-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one\nchebi:135538\n3h-pyrazol-3-one,1,2-dihydro-1,5-dimethyl-4-(1-methylethyl)-2-phenyl-\neinecs207-539-2\noed8fv75py\nbrn0204533\n2,3-dimethyl-4-isopropyl-1-phenyl-3h-pyrazolin-5-one\n3-pyrazolin-5-one,2,3-dimethyl-4-isopropyl-1-phenyl-\n3-pyrazolin-5-one,4-isopropyl-2,3-dimethyl-1-phenyl-\n4-isopropyl-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one\npxwlvjlkjgvoke-uhfffaoysa-n\n1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one\n5-pyrazolone,1-phenyl-2,3-dimethyl-4-isopropyl-\nncgc00164612-01\npropifenazone\n1,5-dimethyl-2-phenyl-4-(propan-2-yl)-1,2-dihydro-3h-pyrazol-3-one\ndsstox_cid_3529\ndsstox_rid_77065\n4-isopropyl-2,3-dimethyl-1-phenyl-5-pyrazolone\ndsstox_gsid_23529\nw-106059\n4-isopropyl-1,5-dimethyl-2-phenyl-1h-pyrazol-3(2h)-one\npropyfenazone\n4-isopropyl-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one\n1,5-dimethyl-4-(1-methylethyl)-2-phenyl-1,2-dihydro-3h-pyrazol-3-one\ncas-479-92-5\n2,3-dimethyl-4-(methylethyl)-1-phenyl-3-pyrazolin-5-one\narantilp\nyoshipyrin(tn)\npropyphenazone,(s)\npropyphenazone(inn)\npubchem23315\nac1l1gow\nac1q1oba\nchemdiv2_002457\nd06ixt\nepitopeid:124928\nisopropylantipyrine(jp17)\nschembl23393\n5-24-01-00408(beilsteinhandbookreference)\nmls004773970\nchembl28318\n4-isopropyl-2,3-dimethyl-1-phenyl-3-pyrazoline-5-one\ndtxsid6023529\npxwlvjlkjgvoke-uhfffaoysa-\nzinc49151\nmolport-001-796-335\nhms1375p15\nhy-a0273\nks-000014rw\ntox21_112233\nsbb057120\nstk766727\n1,2-dihydro-1,5-dimethyl-4-(1-methylethyl)-2-phenyl-3h-pyrazol-3-one\nakos001725335\ntox21_112233_1\napi0007224\ncs-5533\nmcule-8150765163\nncgc00164612-02\nac-12099\nan-45175\nls-21388\npropyphenazone1.0mg/mlinacetonitrile\nsmr001495368\nst007547\nab1009704\nft-0654525\ni0656\nd01380\n4-isopropyl-1,5-dimethyl-2-phenyl-pyrazol-3-one\nsr-01000536454\n4-isopropylantipyrine,analyticalreferencematerial\ni14-7749\nsr-01000536454-1\n1,5-dimethyl-2-phenyl-4-propyl-1h-pyrazol-3(2h)-one\na2705/0115064\npropyphenazone,europeanpharmacopoeia(ep)referencestandard\n4-isopropyl-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one#\n1,5-dimethyl-2-phenyl-4-(propan-2-yl)-2,3-dihydro-1h-pyrazol-3-one\npropyphenazone,pharmaceuticalsecondarystandard;certifiedreferencematerial\n12542-35-7\n128065-64-5\n88205-06-5\ninchi=1/c14h18n2o/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10h,1-4h3\n",null,null,0]
[1863,"PYRROLO[2,1-b]QUINAZOLIN-9(1H)-ONE,2,3-DIHYDRO-3","486-64-6",null,"O=c1n2c(nc3c1cccc3)C(CC2)O",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,2]
[1867,"1h-pyrrole-3-propanoicacid,2,5-dihydro-4-methy","487-65-0",null,"CC=1C(NC(C1CCC(=O)O)=O)=O",null,"CC=1C(NC(C1CCC(=O)O)=O)=O",2,0,2,"Verify Name","hematinicacid\nunii-9r39kk1d4y\n487-65-0\n9r39kk1d4y\n1h-pyrrole-3-propanoicacid,2,5-dihydro-4-methyl-2,5-dioxo-\n3-(4-methyl-2,5-dioxopyrrol-3-yl)propanoicacid\nac1q6bqk\nschembl547616\nac1l290v\nctk1d7599\ndtxsid30197593\n2,5-dihydro-4-methyl-2,5-dioxo-1h-pyrrole-3-propanoicacid\nacm487650\nakos022505445\nfch1128165\n4-methyl-2,5-dioxo-2,5-dihydropyrrole-3-propionicacid\n1h-pyrrole-3-propanoicacid,2,5-dihydro-4-methyl-2,5-dioxo-\n",null,null,0]
[1936,"(R)-nona-3,4-diene-6,8-diyn-1-ol","505-97-5",null,null,"C#CC#CC=C=CCCO","C#CC#CC=C=CCCO",2,0,2,"Search at least one confirmation",{"$nulls":3},0]
[1947,"2,4,6(1h,3h,5h)-pyrimidinetrione,5-ethyl-5-(1-p","509-87-5",null,"CCC1(C(NC(NC1=O)=O)=O)N2CCCCC2",null,"CCC1(C(NC(NC1=O)=O)=O)N2CCCCC2",2,0,2,"Verify Name","eldoral\nethylpentamethyleneuramil\nunii-k1472b62ct\n5-ethyl-5-piperidinobarbituricacid\nbrn0252400\nbarbituricacid,5-ethyl-5-piperidino-\n509-87-5\nk1472b62ct\nacide5-ethyle5'-piperidinobarbiturique[french]\n5-ethyl-5-piperidin-1-yl-1,3-diazinane-2,4,6-trione\neldoralheyden\neldoral\"heyden\"\nacide5-ethyle5'-piperidinobarbiturique\nathylpiperidylbarbitursaure\nac1l2rf5\nschembl1643077\ndtxsid70198928\n5-ethyl-5-(1-piperidyl)barbituricacid\nls-24461\n2,4,6(1h,3h,5h)-pyrimidinetrione,5-ethyl-5-(1-piperidinyl)-\n2,4,6(1h,3h,5h)-pyrimidinetrione,5-ethyl-5-(1-piperidinyl)-(9ci)\n",null,null,0]
[1953,"Tricyclo[2.2.1.02,6]heptane-1-carboxylic acid, 7","512-60-7",null,"CC1(C2(C3CC1CC32)C(=O)O)C",null,null,1,0,3,"Search at least one confirmation",null,null,"Checked on ChemID",1]
[1967,"benzeneaceticacid,.alpha.-hydroxy-.alpha.-meth","515-30-0",null,"CC(O)(C(=O)O)c1ccccc1",null,"CC(O)(C(=O)O)c1ccccc1",2,0,2,"Verify Name","2-hydroxy-2-phenylpropanoicacid\natrolacticacid\n515-30-0\n2-phenyllacticacid\n2-hydroxy-2-phenylpropionicacid\nalpha-methylmandelicacid\nphenyllacticacid\n2-phenyl-2-hydroxypropionicacid\ndl-atrolacticacid\nalpha-hydroxy-alpha-phenylpropionicacid\nmandelicacid,.alpha.-methyl-\nbenzeneaceticacid,.alpha.-hydroxy-.alpha.-methyl-\n.alpha.-phenyllacticacid\nnsc128998\nnsc401846\ndl-.alpha.-phenyllacticacid\nalpha-hydroxy-alpha-methylbenzeneaceticacid\nnwchelucvwsrrs-uhfffaoysa-n\n4607-38-9\n.alpha.-hydroxy-.alpha.-phenylpropionicacid\n2-hydroxy-2-phenyl-propionicacid\ndl-alpha-phenyllacticacid\nphenyllacticacid\nphenyl-lacticacid\neinecs208-196-1\neinecs225-014-6\natrolacticacidhydrate\nacmc-20apgu\nmandelicacid,dl-\nacmc-20apl1\ndl-2-phenyllacticacid\nmaybridge3_003173\nhydroxyphenylpropionicacid\n(+/-)-phenyllacticacid\n(1)-2-phenyllacticacid\nac1l1b6e\nac1q2bp2\nac1q5sn0\ncambridgeid5152365\noprea1_696321\nschembl153694\nchebi:50392\nctk3j6227\nmolport-001-781-724\n2-oxidanyl-2-phenyl-propanoicacid\nnsc128998\nnsc152653\nnsc401846\nsbb063248\nakos005265787\nmcule-8977170962\nnsc-128998\nnsc-152653\nnsc-401846\nrp02461\nsdccgmls-0064676.p001\nvc30050\nvc30227\nidi1_014560\nsc-19206\nkb-302536\nmandelicacid,alpha-methyl-,dl-(8ci)\nrt-002915\nft-0622503\nft-0654258\nst50405512\ny9290\nks-00001555\nbenzeneaceticacid,|a-?hydroxy-?|a-?methyl-\nbenzeneaceticacid,alpha-hydroxy-alpha-methyl-\nk-9467\na824682\nar-360/42760319\ni01-0995\nj-509611\ns01-0460\nz1868430583\n(^+)-2-hydroxy-2-phenylpropionicacidhemihydrate,97%\n",null,null,1]
[1976,"2,3-Pyridinedicarboxylic acid, 4-methyl-","517-40-8","Cc1c(c(ncc1)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[1996,"Allaric acid","527-00-4","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,1]
[1997,"(+)-Perseitol","527-06-0",null,"OCC(O)C(O)C(O)C(O)C(O)CO",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,2]
[2020,"1,2-propanediol,3-(2-methoxyphenoxy)-,1-carbam","532-03-6",null,"COc1c(cccc1)OCC(O)COC(N)=O",null,"COc1c(cccc1)OCC(O)COC(N)=O",2,0,2,"Verify Name","methocarbamol\n532-03-6\nrobaxin\nmetocarbamol\nmetocarbamolo\nlumirelax\nparabaxin\netroflex\nmethocal\nmetofenia\nmiolaxene\nmiorilas\nmyolaxene\nneuraxin\nreflexyn\nrelestrid\nromethocarb\nsurquetil\ntresortil\navetil\ndelaxin\nmiowas\nperilax\nrobinax\nmetofenina\nguaiacolglycerylethercarbamate\nguaiphenesincarbamate\nguaiphenesinecarbamate\nglycerylguaiacolatecarbamate\nglycerylguajacol-carbamat\nmethocarbamolum\nforbaxin\n2-hydroxy-3-(2-methoxyphenoxy)propylcarbamate\nahr85\nrobamol\nrobaxan\nrobaxine\nrobaxon\ntraumacut\nguiacol-glicerileteremonocarbammato\nmetocarbamolo[dcit]\nrobaxisol\n1,2-propanediol,3-(2-methoxyphenoxy)-,1-carbamate\n3-(2-methoxyphenoxy)-1-glycerylcarbamate\nrobaxin-750\nmetocarbamol[inn-spanish]\nmethocarbamolum[inn-latin]\n3-(o-methoxyphenoxy)-2-hydroxypropylcarbamate\nnsc170960\n2-hydroxy-3-(o-methoxyphenoxy)propyl1-carbamate\n3-(o-methoxyphenoxy)-1,2-propanediol1-carbamate\nc11h15no5\nhsdb3122\nmethocarbamol(robaxin)\neinecs208-524-3\nbrn1884446\n1,2-propanediol,3-(o-methoxyphenoxy)-,1-carbamate\nmls000028610\ncarbamicacid,2-hydroxy-3-(o-methoxyphenoxy)propylester\nchebi:77498\n[2-hydroxy-3-(2-methoxyphenoxy)propyl]carbamate\nsmr000058719\ndsstox_cid_3286\ndsstox_rid_76958\n1-carbamoyloxy-3-(2'-methoxyphenoxy)-2-propanol\ndsstox_gsid_23286\n(+-)-3-(o-methoxyphenoxy)-1,2-propanediol1-carbamate\n2-hydroxy-3-(2-methoxyphenoxy)propylaminooate\nsr-01000000240\n2-hydroxy-3-{[2-(methyloxy)phenyl]oxy}propylcarbamate\nmethacarbamol\nmethocarbamo\nmethocarbamol[inn:ban:jan]\nrac-methocarbamol\nncgc00016492-01\nmethocarbamol,(s)\ncas-532-03-6\nmethocarbamol[usp:inn:ban:jan]\nprestwick_614\ndelaxin(tn)\nrobaxin(tn)\nrobaxisol(salt/mix)\npubchem20751\nspectrum_000997\nac1l1hfd\nopera_id_1471\nprestwick0_000184\nprestwick1_000184\nprestwick2_000184\nprestwick3_000184\nspectrum2_001272\nspectrum3_000496\nspectrum4_000049\nspectrum5_000956\nd0fn7j\n2-hydroxy-3-(o-methoxyphenoxy)propylcarbamate\nschembl34365\nbspbio_000107\nbspbio_001991\nkbiogr_000517\nkbioss_001477\nmls001148605\ndivk1c_000434\nspectrum1500397\nwln:zvo1yq1orbo1\nspbio_001264\nspbio_002028\nbpbio1_000119\ngtpl6829\nmethocarbamol(jan/usp/inn)\nchembl1201117\ndtxsid6023286\nctk8b3542\nhms501f16\nkbio1_000434\nkbio2_001477\nkbio2_004045\nkbio2_006613\nkbio3_001491\nks-00000gjg\ngnxfoghngivqeh-uhfffaoysa-n\nmolport-003-666-229\nninds_000434\nhms1568f09\nhms1920l19\nhms2091d14\nhms2095f09\nhms2233g18\nhms3259m17\nhms3369b17\nhms3655o06\nhms3712f09\npharmakon1600-01500397\nbcp13801\nhy-b0262\ntox21_110454\nanw-42701\nccg-39655\nmfcd00057662\nnsc170960\nnsc757112\ns1736\nsbb056990\nakos015960743\ntox21_110454_1\napi0003331\ncs-2248\ndb00423\nmcule-7298838587\nnc00509\nne28012\nnsc-170960\nnsc-757112\nrl03963\nidi1_000434\nncgc00018257-02\nncgc00018257-03\nncgc00018257-04\nncgc00018257-07\nncgc00018257-08\nncgc00089805-02\nncgc00089805-03\n1,3-(o-methoxyphenoxy)-,1-carbamate\nac-12037\nak546751\nan-23552\nas-11691\nbc203907\ncpd000058719\nsam002554900\nsc-13605\n1,3-(2-methoxyphenoxy)-,1-carbamate\nacm1189699704\nsbi-0051442.p003\nab2000260\nls-120555\n3-o-(2-methoxyphenyl)-1-glycerylcarbamate\nab00052040\nft-0628302\nm2254\nst50993887\nd00402\nen300-119525\nab00052040-15\nab00052040_16\nab00052040_17\n2-hydroxy-3-(2-methoxyphenoxy)propylcarbamate#\na829442\n[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]carbamate\nsr-01000000240-2\nsr-01000000240-3\n(rs)-2-hydroxy-3-(2-methoxyphenoxy)propylcarbamate\n1,2-propanediol,3-(2-methoxyphenoxy)-,1-carbamate\nbrd-a31521121-001-05-8\nguaiacolglycerylethercarbamate,analyticalstandard\n(+/-)-3-(o-methoxyphenoxy)-1,2-propanediol1-carbamate\ncarbamicacid[2-hydroxy-3-(2-methoxyphenoxy)propyl]ester\ncarbamicacid2-hydroxy-3-(2-methoxyphenoxy)propylester\ncarbamicacid[2-hydroxy-3-(2-methoxy-phenoxy)-propyl]ester\nmethocarbamol,unitedstatespharmacopeia(usp)referencestandard\nmethocarbamol,pharmaceuticalsecondarystandard;certifiedreferencematerial\n145308-03-8\n3967-43-9\n",null,null,1]
[2086,"2-Butenoic acid, 4-[(1-carboxyethyl)amino]-4-oxo","541-89-9",null,null,"CC(N=C(O)C=CC(=O)O)C(=O)O","CC(N=C(O)C=CC(=O)O)C(=O)O",2,0,2,"Search at least one confirmation",{"$nulls":3},0]
[2096,"ethanesulfonicacid,2-[(aminoiminomethyl)amino]","543-18-0",null,"NC(N)=NCCS(=O)(=O)O",null,"NC(N)=NCCS(=O)(=O)O",2,0,2,"Verify Name","taurocyamine\n543-18-0\nguanidinoethanesulfonicacid\nguanidinoethylsulfonate\nguanidinoethanesulfonate\n2-guanidinoethanesulfonicacid\nc3h9n3o3s\nguanidinoethanesulfonicacid\n2-{[amino(imino)methyl]amino}ethane-1-sulfonicacid\ngamma-guanidinosulphonicacid\n2-guanidino-ethanesulfonicacid\nchebi:17228\nnsc667063\nethanesulfonicacid,2-[(aminoiminomethyl)amino]-\n2-(carbamimidamido)ethanesulfonicacid\n2-{carbamimidamido}ethanesulfonicacid\n2-((amino(imino)methyl)amino)ethanesulfonicacid\n2-{[amino(imino)methyl]amino}ethanesulfonicacid\n2-([amino(imino)methyl]amino)ethane-1-sulfonicacid\n2-[[amino(imino)methyl]amino]ethane-1-sulfonicacid\n2-(diaminomethylideneazaniumyl)ethanesulfonate\nguanyltaurine\n2-carbamimidamidoethanesulfonicacid\nguanidinoethanesulfonate\nmaybridge1_001932\nd0a3qo\nac1l29jv\nac1q6x6x\nn-(aminoiminomethyl)taurine\nschembl33972\nchembl21832\ngtpl5492\nctk5a0473\nhms546p18\ndtxsid10202654\n2-{carbamimidamido}ethanesulfonate\njklrimrkzbssed-uhfffaoysa-n\nmolport-000-141-841\nzinc4095756\nzx-at023350\nccg-54966\nfch918683\nakos006228813\nchm0020043\nmcule-8763764734\nnsc-667063\nrp02520\nkb-166723\nft-0626827\ny9415\n2-(diaminomethylideneamino)ethanesulfonicacid\nc01959\n543g180\nethanesulfonicacid,2-((aminoiminomethyl)amino)-\n2-[(diaminomethylidene)amino]ethane-1-sulfonicacid\nj-509546\nsr-01000644021-1\n3s5\n",null,null,1]
[2103,"N-Methyl butylcarbamate","543-86-2",null,"CC(C)CCOC(N)=O",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[2113,"N1-(4-SO2NH2-PH)SULFANILAMIDE","547-52-4",null,"Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)S(N)(=O)=O",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[2118,"Cyclopenta[c]pyran-4-carboxylic acid, 1-( -D-glu","548-37-8",null,"COC(=O)C=1C2C(C(OC1)OC3C(C(C(C(O3)CO)O)O)O)C(C)CC2=O",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,0]
[2157,"gycylglycine","556-50-3",null,"NCC(=O)NCC(=O)O",null,"NCC(=O)NCC(=O)O",2,0,2,"Verify Name","glycylglycine\n556-50-3\nn-glycylglycine\ndiglycine\ngly-gly\nglycinedipeptide\nglycyl-glycine\nglycine,glycyl-\nglycine,n-glycyl-\n2-(2-aminoacetamido)aceticacid\ngly2\ngly-gly-oh\nh-gly-gly-oh\n2-(aminoacetamido)aceticacid\nalpha-glycylglycine\n2-[(2-aminoacetyl)amino]aceticacid\nglygly\n[(aminoacetyl)amino]aceticacid\nunii-10525p22u0\nchembl292467\nchebi:17201\nymawopbaydpsla-uhfffaoysa-n\nmfcd00008130\nglycylglycine,99+%\n10525p22u0\n((aminoacetyl)amino)aceticacid\n2-(2-aminoacetylamino)aceticacid\neinecs209-127-8\nh-gly-gly\nglycylglycine,dl-\nnsc49346\n.alpha.-glycylglycine\nn-glycyl-glycine\npubchem14973\nacmc-1awkp\nai3-62521\nglycylglycine(glygly)\ngly-gly,98%\ne<<edegrees+/-ea\nac1l1wr1\nb-glygly250\nschembl14934\nksc492e0p\nctk3j2207\ngly-gly,>=99%(titration)\nmolport-002-507-601\n23851-28-7(hydrochloride)\n[(aminoacetyl)amino]aceticacid#\nhy-d0889\nnsc49346\nzinc5112515\nanw-32355\nbbl018705\nbdbm50169222\nnsc-49346\nsbb067231\nstl194277\n13059-60-4(mono-hydrochloride)\nakos001045997\nccg-231053\nmcule-1239116894\nrl04100\nrtr-019609\nks-000002a7\nedegrees+/-opoundedegrees+/-ea\ngly-gly,bioxtra,>=99.0%(nt)\naj-70705\nak-46058\nan-23686\nas-14771\ngly-gly,bioultra,>=99.5%(nt)\nkb-79375\nm541\nsc-17448\nst099026\ngly-gly,vetec(tm)reagentgrade,99%\nab0006830\ndb-002742\nst2403821\ntr-019609\ncs-0015211\nft-0626788\ng0124\nt7982\nc02037\ng-6000\ng-6001\nglycylglycine,0.2mbuffersolution,ph9.0\n556g503\ni14-2267\nf2191-0195\n2,3,6,2',3',4',6'-hepta-o-acetyl-a-d-lactosylbromide\n33903968-ddb2-47f2-9b6c-7c232d1962da\ngly-gly,bioperformancecertified,cellculturetested,>=99%\ninchi=1/c4h8n2o3/c5-1-3(7)6-2-4(8)9/h1-2,5h2,(h,6,7)(h,8,9\n61499-00-1\nglycylglycine,pharmagrade,manufacturedunderappropriategmpcontrolsforpharmaorbiopharmaceuticalproduction\n",null,null,1]
[2214,"1h-purine-2,6-dione,8-ethoxy-3,7-dihydro-1,3,7-","577-66-2",null,"CCOc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",null,"CCOc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",2,0,2,"Verify Name","8-ethoxycaffeine\n577-66-2\ncaffeine,8-ethoxy-\nunii-271190xi98\nnsc8812\nbrn0384859\n8-ethoxy-1,3,7-trimethylpurine-2,6-dione\neoc\n271190xi98\n8-ethoxy-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione\n8-ethoxy-3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione\nac1l1x5s\noprea1_370046\noprea1_614067\nschembl33834\n4-26-00-02727(beilsteinhandbookreference)\nctk5a7397\ndtxsid20206406\nnsc8812\nmolport-001-495-281\nzinc110355\nnsc-8812\nccg-18783\nstk085588\nakos001648934\nmcule-7134035690\nbas02224103\nls-48580\nzb003710\neu-0075743\nft-0714070\nst50429574\nc-52925\n1h-purine-2,8-ethoxy-3,7-dihydro-1,3,7-trimethyl-\n8-ethoxy-1,3,7-trimethyl-1,3,7-trihydropurine-2,6-dione\n8-ethoxy-1,3,7-trimethyl-1h-purine-2,6(3h,7h)-dione\n8-ethoxy-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione\n1h-purine-2,6-dione,8-ethoxy-3,7-dihydro-1,3,7-trimethyl-\n1h-purine-2,6-dione,8-ethoxy-3,7-dihydro-1,3,7-trimethyl-\n1h-purine-2,6-dione,8-ethoxy-3,7-dihydro-1,3,7-trimethyl-(9ci)\n",null,null,0]
[2235,".alpha.-glucoforanose,1,2:5,6-bis-o-(1-methylet","582-52-5",null,"CC1(OC(CO1)C2C(C3C(O2)OC(C)(C)O3)O)C",null,"CC1(OC(CO1)C2C(C3C(O2)OC(C)(C)O3)O)C",2,0,2,"Verify Name","582-52-5\n1,2:5,6-di-o-isopropylidene-alpha-d-glucofuranose\ndiacetoneglucose\n(3ar,5s,6s,6ar)-5-((r)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol\nunii-r3p8tn410c\nd-glucosediacetonide\ndiacetoneglucose\nr3p8tn410c\n1:2,5:6-di-o-isopropylidene-alpha-d-glucofuranose\n1,2:5,6-bis-o-(1-methylethylidene)-a-d-glucofuranose\nak-93412\n1,2:5,6-di-o-isopropylidene-a-d-glucofuranose\n14686-89-6\nnsc1223\neinecs209-486-0\nglucosebisacetonide\n1,2:5,6-diisopropylidene-d-glucose\n(3ar,5s,6s,6ar)-5-[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol\nai3-61543\n1,2-5,6-di-o-isopropylidene-d-glucofuranose\n1,2:5,6-di-o-isopropylidene-a-d-gulofuranose\n1,2:5,6-diisopropylidene-alpha-d-glucofuranose\ndiacetonglucose\n1:2,5:6-di-o-isopropyliden-alpha-d-glucofuranose[german]\nglucosediacetonide\n(3ar,5s,6s,6ar)-5-[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol\n1,2-5,6-di-o-isopropylidene-a-d-gulose\n1,2:5,6-di-o-isopropylidene-alpha-d-gulose\npubchem15959\n1,2:5,6-di-o-isopropylidene-|a-d-glucofuranose\nac1of2ml\nglucofuranose,1:2,5:6-di-o-isopropylidene-,alpha-d-\n1:2,5:6-di-o-isopropyliden-alpha-d-glucofuranose\na-d-gulofuranose,1,2:5,6-bis-o-(1-methylethylidene)-\nalpha-d-glucofuranose,1,2:5,6-bis-o-(1-methylethylidene)-\nalpha-d-glucofuranose,1,2:5,6-di-o-(1-methylethylidene)-\nschembl350022\nbicl4268\nglu015\nks-00000gqh\nkejgaykwrdiltf-jddhqfaosa-n\nmolport-001-793-373\n65561-77-5\nzinc3956910\nzx-at015613\ncd-601\nmfcd00069693\nakos016843090\nam83975\nor52100\naj-47508\nas-12662\nsc-75437\nst083485\nax8014259\nd1949\nst24026228\n1,2,5,6-di-o-isopropylidene-alpha-d-glucofuranose\n1,2:5,6-di-0-isopropylidene-alpha-d-glucofuranose\n1.2:5.6-di-0-isopropylidene-alpha-d-glucofuranose\nw-200121\n1,2:5,6-di-o-isopropylidene-alpha-d-glucofuranose\n1,2:5,6,-di-o-isopropylidene-alpha-d-glucofuranose\n(-)-1,2:5,6-di-o-isopropylidene-alpha-d-glucofuranose\n1,2:5,6-di-o-isopropylidene-alpha-d-glucofuranose,98%\n1-o,2-o:5-o,6-o-diisopropylidene-alpha-d-glucofuranose\na-d-glucofuranose,1,2:5,6-bis-o-(1-methylethylidene)-\n(-)-1,2:5,6-di-o-isopropylidene-alpha-d-glucofuran\n1,2:5,6-di-o-isopropylidene-alpha-d-glucofuranose,purum,>=98.0%(tlc)\n(3ar,5s,6s,6ar)-5-[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-2h-furo[2,3-d][1,3]dioxol-6-ol\n12587-95-0\n131334-70-8\n1821051-23-3\n211254-42-1\n3-((4s)-2,2-dimethyl(1,3-dioxolan-4-yl))(2s,3s,1r,5r)-7,7-dimethyl-4,6,8-trioxabicyclo[3.3.0]octan-2-ol\n311342-06-0\n6078-38-2\n620630-82-2\n886202-52-4\n1,2:5,6-di-o-isopropylidene-alpha-l-glucofuranose\n79943-22-9\n582-52-5\n1,2:5,6-di-o-isopropylidene-a-l-glucofuranose\npubchem6040\n1,2:5,6-di-o-isopropylidene-a-d-glucofuranose\n4606ah\nmfcd00005544\nzinc22116666\nakos015924590\n1,2:5,6-di-o-isopropylidene-alpha-l-glucofuranose?\n1-o,2-o:5-o,6-o-diisopropylidene-alpha-l-glucofuranose\n1,2,5,6-di-o-isopropylidene-|ainvertedexclamationmark-l-glucofuranose\n(3as,5r,6r,6as)-5-((s)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol\n(3as,5r,6r,6as)-5-((s)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-6-ol\ndiacetoneglucose\ndiacetoneglucose\n582-52-5\n5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol\n14686-89-6\n5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol(non-preferredname)\ndiacetone-d-glucose\nac1q2cvn\ndiisopropylideneallofuranose\nac1q70ky\ncbdive_002428\nchembl106539\nschembl4735493\n1,6-diisopropylidene-d-glucose\nnsc1223\nkejgaykwrdiltf-uhfffaoysa-n\nmolport-001-785-878\ndiacetone-d-glucose,98%25g\n.alpha.-d-glucofuranose,1,2:5,6-bis-o-(1-methylethylidene)-\nac1l5789\nnsc-1223\nbbl034007\nnsc229362\nnsc401819\nstl373806\nakos000678809\nakos025153395\nmcule-2565882976\nnsc-229362\nnsc-401819\n1,2,4,6-diacetone-d-glucose\n5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol(non-preferredname)\nan-24778\nft-0624589\n1,6-diisopropylidene-.alpha.-d-glucofuranose\na22614\ns-1003\n1,2:5,6-di-o-isopropylidene-?-d-glucofuranose\na808560\nsr-01000403913\ni04-0112\ni07-0018\ni14-2249\nsr-01000403913-1\n1,2:5,6-di-o-isopropylidene-alpha-d-glucofura-nose\nglucofuranose,2:5,6-di-o-isopropylidene-,.alpha.-d-\ntalofuranose,1,2:5,6-di-o-isopropylidene-,.beta.-d-\n.alpha.-d-glucofuranose,2:5,6-bis-o-(1-methylethylidene)-\n.beta.-d-talofuranose,1,2:5,6-bis-o-(1-methylethylidene)-\n2,2-dimethyl-5-(2,2-dimethyl-1,3-dioxolane-4-yl)tetrahydrofuro[2,3-d]-1,3-dioxole-6-ol\n5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ol\n5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-tetrahydro-2h-furo[2,3-d][1,3]dioxol-6-ol\nc12h20o6\n582-52-5\nac1q2cuf\nac1mc38o\nschembl2176200\nmolport-002-530-299\nakos003628622\nakos023552839\nrp29276\nsc-05505\ntl8003733\n(3ar,3aalpha,6aalpha)-2,2-dimethyl-5alpha-(2,2-dimethyl-1,3-dioxolane-4-yl)tetrahydrofuro[2,3-d]-1,3-dioxole-6alpha-ol\n(3ar,5s,6s,6ar)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol\n350255-13-9\ndiacetoneglucose\nnsc1223\nglucosebisacetonide\n582-52-5\ndiacetone-d-allofuranose\n1,2:5,6-di-o-isopropylidene-|a-d-glucofuranose\ndag.\nac1md5i4\nschembl10148621\n1,2:5,6-diacetone-d-allofuranose\ncd0231\n1,2:5,6-di-o-isopropylidene-d-glucose\n1,2:5,6-di-o-isopropylidene-|a-d-allofuranose\n1,2:5,6-di-o-isopropylidene-alfa-d-glucofuranose\n1,2:5,6-bis-o-(1-methylethylidene)-|a-d-allofuranose\n1,2:5,6-bis-o-(1-methylethylidene)-|a-d-glucofuranose\n(3ar,5s,6as)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol\n1,2:5,6-diisopropylidene-d-glucose\n582-52-5\nzinc22057825\n(3ar,5r,6s,6as)-5-[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol\ndiacetone-d-glucose,98+%\n582-52-5\nzinc3956912\n1-o,2-o:5-o,6-o-diisopropylidene-alpha-d-mannofuranose\n","Stereochemistry removed",null,0]
[2247,"Alanine, N-(aminocarbonyl)-","585-04-6","CC(NC(N)=O)C(=O)O",null,"CC(NC(N)=O)C(=O)O",null,2,0,2,"Search at least one confirmation",null,"Stereochemistry removed","Checked on PubChem",0]
[2260,"2-(methoxymethyl)-5-no2furan","586-84-5",null,"COCc1oc(cc1)[N+](=O)[O-]",null,"COCc1oc(cc1)[N+](=O)[O-]",2,0,2,"Verify Name","furaspor\n2-(methoxymethyl)-5-nitrofuran\n586-84-5\nfuramicid\nfurbenal\nunii-n4eax2huwl\nfuran,2-(methoxymethyl)-5-nitro-\nnmfe\n5-nitro-2-furfurylmethylether\nn4eax2huwl\nnf45\neinecs209-586-4\nai3-17341\nac1l1xf7\nschembl436038\ndtxsid9041996\nchebi:34458\nctk5a8691\nnsc1196\nfuran,2-(methoxymethyl)-5-nitro-\nnsc-1196\nzinc1591770\nnsc404090\nakos027379359\nmethyl(5-nitro-2-furyl)methylether\nnsc-404090\nc14293\n",null,null,1]
[2341,"1,3-propanediol,2,2-bis(acetyloxy)methyl-,di","597-71-7",null,"CC(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O",null,"CC(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O",2,0,2,"Verify Name","pentaerythritoltetraacetate\nnormosterol\nnormo-level\n597-71-7\npag[romanian]\ntape\npentaerythrityltetraacetate\ntetraacetylpentestriol\ntetraacetilpentoetriol\nnsc1841\npentaerythritol,tetraacetate\nunii-c4yxi01z81\ntetraacetilpentoetriol[romanian]\nc13h20o8\neinecs209-907-8\npentaerythrityltetracetate\nbrn1804615\n2,2-bis((acetyloxy)methyl)-1,3-propanedioldiacetate\nc4yxi01z81\nouhczcfqvontoc-uhfffaoysa-n\nt.a.p.e.\n1,3-propanediol,2,2-bis[(acetyloxy)methyl]-,diacetate\n[3-acetyloxy-2,2-bis(acetyloxymethyl)propyl]acetate\n1,3-propanediol,2,2-bis((acetyloxy)methyl)-,diacetate\n1,3-propanediol,2,2-bis[(acetyloxy)methyl]-,1,3-diacetate\n1,3-propanediol,2,2-bis((acetyloxy)methyl)-,1,3-diacetate\nt.a.p.e.\npoloxanlene188\nac1l2awv\npentaerythritoltetracetate\ncbdive_003151\nt.a.p.e\n4-02-00-00264(beilsteinhandbookreference)\n(c3h6o.c2h4o)x\nschembl309351\nouhczcfqvontoc-uhfffaoysa-\nnsc1841\nmolport-002-132-472\nnsc-1841\nzinc1577044\nakos004906770\napi0003782\nmcule-6107033599\nan-46268\no423\nls-101452\n1,2,2-bis[(acetyloxy)methyl]-,diacetate\np0757\n[3-acetoxy-2,2-bis(acetoxymethyl)propyl]acetate\n3-(acetyloxy)-2,2-bis[(acetyloxy)methyl]propylacetate\n3-(acetyloxy)-2,2-bis[(acetyloxy)methyl]propylacetate#\ninchi=1/c13h20o8/c1-9(14)18-5-13(6-19-10(2)15,7-20-11(3)16)8-21-12(4)17/h5-8h2,1-4h3\n",null,null,1]
[2356,"benzenesulfonicacid,4-methyl-,2-methylphenyl","599-75-7",null,"Cc1ccc(cc1)S(=O)(=O)Oc2c(cccc2)C",null,"Cc1ccc(cc1)S(=O)(=O)Oc2c(cccc2)C",2,0,2,"Verify Name","o-tolylp-toluenesulfonate\n2-methylphenyl4-methylbenzenesulfonate\n599-75-7\nnsc8790\nac1l5bvw\no-kresyl-p-toluolsulfonat\nac1q6y0v\nschembl3824499\nctk1h2276\ndtxsid60278647\nmolport-002-802-527\nnsc-8790\nzinc1648231\np-toluenesulfonicacid2-methylphenyl\nakos008677747\nmcule-5417703852\n(2-methylphenyl)4-methylbenzenesulfonate\nbenzenesulfonicacid,2-methylphenylester\nae-848/33607003\n",null,null,1]
[2357,"4-SULFANILAMIDOPYRIMIDINE","599-82-6","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[2361,"2-Chloro-2-butenoic acdi","600-13-5",null,"CC=C(Cl)C(=O)O",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,2]
[2393,"Butanedioic acid, 2,3-dimethyl-, (R*,R*)-(.+-.)-","608-39-9",null,"CC(C(=O)O)C(C)C(=O)O",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[2395,"Altraric acid, D-","608-60-6","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,0]
[2403,"Benzoic acid, 2-amino-3,5-dinitro-","609-97-2","Nc1c(cc(cc1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[2414,"2,5-Pyrrolidinedione, 1-(4-ethoxyphenyl)-","611-41-6","CCOc1ccc(cc1)N2C(CCC2=O)=O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[2548,"S-<(E)-1,2-dichloro-vinyl>-L-cysteine","627-72-5",null,"NC(CSC(Cl)=CCl)C(=O)O",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,2]
[2579,"Isoserine","632-12-2","NCC(O)C(=O)O",{"$nulls":3},1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[2583,"2,3,4-Pyridinetricarboxylic acid","632-95-1","O=C(O)c1c(c(ncc1)C(=O)O)C(=O)O",null,"O=C(O)c1c(c(ncc1)C(=O)O)C(=O)O",null,2,0,2,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[2591,"4(1h)-pyrimidinone,2,3-dihydro-5-methyl-2-thiox","636-26-0",null,"Cc1c([nH]c([nH]c1)=S)=O",null,"Cc1c([nH]c([nH]c1)=S)=O",2,0,2,"Verify Name","636-26-0\n5-methyl-2-thiouracil\n2-thiothymine\n4-hydroxy-5-methyl-2-mercaptopyrimidine\nthiothymine\nthymine,2-thio-\nuracil,5-methyl-2-thio-\n2-mercapto-5-methylpyrimidin-4-ol\n4(1h)-pyrimidinone,2,3-dihydro-5-methyl-2-thioxo-\n5-methyl-2-sulfanylpyrimidin-4-ol\nccris6069\n4-hydroxy-2-mercapto-5-methylpyrimidine\n5-methyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one\nnsc9377\nai3-26055\nnsc9377\nzlaqatdnglkiev-uhfffaoysa-n\n2,3-dihydro-5-methyl-2-thioxo-4(1h)-pyrimidinone\n5-methyl-2-thioxo-1h-pyrimidin-4-one\n5-methyl-2-sulfanylidene-1h-pyrimidin-4-one\n4(1h)-pyrimidinone,2,3-dihydro-5-methyl-2-thioxo-\n2-thio-thymine\nac1lezdy\n5-methyl-2thiouracil\nacmc-209ngv\nacmc-1b7dz\ndsstox_cid_5665\ndsstox_rid_77875\ndsstox_gsid_25665\nschembl25450\nksc496i8f\nschembl8139808\n5-methyl-2-thiouracil,98%\nchembl3186154\ndtxsid9025665\nctk3j6482\nzlaqatdnglkiev-uhfffaoysa-\n5-methyl-4-oxy-2-thiopyrimidine\nmolport-000-652-645\nmolport-003-800-751\nkuc108901n\n5-methyl-2-mercaptopyrimidin-4-ol\nksc-27-034a\nnsc-9377\nzinc8602963\ntox21_202899\n4-hydroxy-5-methyl-2-thiopyrimidine\nanw-34685\nsbb086243\nakos002263996\nakos006228865\nac-8175\nan-8293\nds-3047\nls-1534\nmcule-7685911178\nrp20752\nrtr-021880\ntra0076229\nks-000002j7\nncgc00260445-01\naj-57702\ncas-636-26-0\ncj-13272\nh504\nkb-72551\ntr-021880\n4ch-006669\nft-0620619\nm0994\nst24032497\nst50189508\n5-methyl-2-thioxo-1,3-dihydropyrimidin-4-one\na834443\nac-907/25004441\n4(1h)-pyrimidinone,3-dihydro-5-methyl-2-thioxo-\n5-methyl-2-thioxo-2,3-dihydro-1h-pyrimidin-4-one\nj-515497\n5-methyl-2-thioxo-2,3-dihydro-4(1h)-pyrimidinone#\ni14-92526\nf3095-3971\n4(1h)-pyrimidinone,2,3-dihydro-5-methyl-2-thioxo-(9ci)\ninchi=1/c5h6n2os/c1-3-2-6-5(9)7-4(3)8/h2h,1h3,(h2,6,7,8,9)\n",null,null,1]
[2594,"butanedioicacid,methyl-,(.+-.)-","636-60-2",null,"CC(CC(=O)O)C(=O)O",null,"CC(CC(=O)O)C(=O)O",2,0,2,"Verify Name","2-methylsuccinicacid\nmethylsuccinicacid\n498-21-5\npyrotartaricacid\n2-methylbutanedioicacid\nbutanedioicacid,methyl-\nmethylsuccinicacid\n1,2-propanedicarboxylicacid\nsuccinicacid,methyl-\n2-methyl-butanedioicacid\nccris6068\nmethylbutanedioicacid\nnsc5276\neinecs207-857-1\nbutanedioicacid,2-methyl-\nwxuaqhnmjwjltg-uhfffaoysa-n\nmethylsuccinate\n2-methylbutanedioicacid\nak114636\n2-methylbutanedioate\nmez\n2-methylsuccinicacid\npyrotartarate\nmethylbutanedioate\n2-methyl-succinicacid\nacmc-209fnu\nacmc-209img\nacmc-1ctce\nmethylsuccinicacid,99%\nac1l1v0e\nksc489o7l\nschembl105210\nac1q5v83\nd,l-2-methylsuccinicacid,5\ndtxsid9025663\nsuccinicacid,methyl-(8ci)\nbdbm85472\nchebi:91315\nctk3i9775\nks-00000czw\nnsc5276\n(s)-2-hydroxy-2-methylsuccinate\nmolport-001-781-574\nnsc-5276\nacm498215\nanw-30848\nfch963777\nlmfa01170119\nsbb061436\nstk301547\nakos003790959\ncs-w011097\nebd2211641\nhy-w010381\nls-1301\nmcule-8116748590\nrtr-017876\ntra0050252\nan-45332\nan-50493\nas-17768\ncc-30912\nkb-54840\nsc-51763\nax8002838\ndb-007698\nst2417113\ntr-017876\n4ch-012941\nft-0602059\nm0430\nst45061232\nv1724\na815641\na827865\nc-01388\ns04-0142\ninchi=1/c5h8o4/c1-3(5(8)9)2-4(6)7/h3h,2h2,1h3,(h,6,7)(h,8,9\n636-60-2\n",null,null,1]
[2597,"p-benzoquinoneoxime","637-62-7",null,"O=Nc1ccc(cc1)O",null,"O=C1C=CC(C=C1)=NO",2,0,2,"Verify Name","4-nitrosophenol\np-nitrosophenol\n104-91-6\nphenol,4-nitroso-\nnitrosophenol\nquinoneoxime\nquinonemonoxime\nphenol,p-nitroso-\np-quinonemonoxime\nquinonemonooxime\np-quinonemonooxime\n4-nitrosofenol\nquinone4-oxime\np-benzoquinone4-oxime\n1,4-benzoquinonemonoxime\np-chinonmonoxim\n1,4-benzoquinone4-oxime\n4-benzoquinonemonoxime\npara-nitrosophenol\np-benzoquinone,monooxime\n637-62-7\np-chinonmonoxim[czech]\n4-nitrosofenol[czech]\nnsc3124\nunii-55eb58h2up\nnsc239647\nccris4710\n4-hydroxyimino-2,5-cyclohexadiene-1-one\nhsdb5362\neinecs203-251-6\nbrn1856695\nbrn2040595\n2,5-cyclohexadiene-1,4-dione,monooxime\n2,5-cyclohexadien-1-one,4-hydroxyimino-\nai3-19026\n55eb58h2up\nnsc3124\njstcpnfnkicnno-uhfffaoysa-n\ndsstox_cid_5991\ndsstox_rid_77981\ndsstox_gsid_25991\n4-07-00-02073(beilsteinhandbookreference)\nw-108801\ncas-104-91-6\n4-nitroso-pheno\nbenzoquinoneoxime\n4-nitroso-phenol\np-benzoquinone,monooxime(8ci)\nmono-nitrosophenol\nenzoquinonemonooxime\nbenzoquinonemonooxime\n2,4-hydroxyimino-\np-benzoquinonemonoxime\n2,4-dione,monooxime\n1,4-benzopuinonemonoxime\nwln:qrdno\nacmc-1bvf6\nac1l1pf3\nac1q6r2x\nwln:l6vdyjdunq\n1,4-benzoquinonemono-oxime\nbenzo-1,4-quinone1-oxime\nschembl107699\nschembl232995\nchembl104353\njsp000475\nchembl3276923\nctk0h8028\njstcpnfnkicnno-uhfffaoysa-\nmolport-001-770-150\n823-87-0(hydrochloridesalt)\nnsc-3124\nzinc1669666\nzx-at008557\ntox21_201754\ntox21_303059\nfch917241\nls-383\nnsc239647\nstl453714\nzinc96337078\n2,5-cyclohexadiene-1,4-dionemonoxime\nakos006230373\nakos006311740\nam86242\nnsc-239647\nrp19505\nvz35554\nks-0000175k\n2,5-cyclohexadiene-1,4-dione1-oxime\nncgc00249111-01\nncgc00257216-01\nncgc00259303-01\n4-hydroxyimino-cyclohexa-2,5-dien-1-one\naj-29128\nkb-72817\nls-56330\nr326\nsc-17657\naj-138377\ntc-168616\nft-0631578\nft-0662579\nn0374\n2,5-cyclohexadiene-1,4-dione,monooxime(9ci)\na801099\ni01-7135\n4-nitrosophenol(wettedwithca.40%water)(unitweightondryweightbasis)\ninchi=1/c6h5no2/c8-6-3-1-5(7-9)2-4-6/h1-4,8h\n4-nitrosophenol(wettedwithca.40%water)(unitweightondryweightbasis)\n",null,null,1]
[2601,"4H-1,3,5-Dithiazine, dihydro-2,4,6-trimethyl-,","638-17-5",null,"CC1SC(SC(N1)C)C",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[2636,"diethylenediglycol,dinitrate","693-21-0",null,"O=[N+]([O-])OCCOCCO[N+](=O)[O-]",null,"O=[N+]([O-])OCCOCCO[N+](=O)[O-]",2,0,2,"Verify Name","diethyleneglycoldinitrate\ndiethyleneglycoldinitrate\ndinitrodiglicol\ndinitrodiglykol\ndiglykoldinitrat\ndiethyleneglycol,dinitrate\noxydiethylenedinitrate\ndiglycoldinitraat\n693-21-0\nethanol,2,2'-oxybis-,dinitrate\ndiethylenglykoldinitrate\ndinitrodiglykol[czech]\ndi(hydroxyethyl)etherdinitrate\ndiglycoldinitraat[dutch]\ndiglykoldinitrat[german]\ndinitrodiglicol[italian]\ndinitratedediethylene-glycol\nccris3415\nethanol,2,2'-oxybisdinitrate\ndiethylenglykoldinitrate[czech]\nunii-77w50o99g1\nethanol,2,2'-oxybis-,1,1'-dinitrate\nbis(hydroxyaethyl)-aether-dinitrat\ndiglycol(dinitratede)[french]\n2-(2-nitrooxyethoxy)ethylnitrate\neinecs211-745-8\nun0075\nbrn1791998\ndinitratedediethylene-glycol[french]\nbis(hydroxyaethyl)-aether-dinitrat[german]\noxydiethane-2,1-diyldinitrate\n77w50o99g1\ndiethyleneglycoldinitrate[forbidden]\ndiglycol(dinitratede)\ndinitrodiglycol\ndigoldinitrate\nhsdb7831\ndiglycoldinitrate\ndiethyleneglycoldinitrate(degdn)\noxydiethylenenitrate\ndegdn\ndegn\ndiethylglycoldinitrate\nac1l1uqi\nec211-745-8\nac1q28vu\nbis-(2-nitrooxyethyl)ether\n2,2'-oxydiethanoldinitrate\nun0075(salt/mix)\nex064\nschembl439675\ndtxsid1024047\nlyagtvmjghtidh-uhfffaoysa-n\nzinc5178845\nakos006278983\n2-[2-(nitrooxy)ethoxy]ethylnitrate#\nls-61886\n2,2'-oxybis(ethane-2,1-diyl)dinitrate\ndiethyleneglycoldinitrate(degn)10microg/mlinacetonitrile\n66492-77-1\ndiethyleneglycoldinitrate,desensitizedwithnot<25%non-volatilewater-insolublephlegmatizer,byweight\ndiethyleneglycoldinitrate,desensitizedwithnot<25%non-volatilewater-insolublephlegmatizer,byweight[un0075][explosive1.1d]\ndiethyleneglycoldinitrate,desensitizedwithnot<25%non-volatilewater-insolublephlegmatizer,byweight[un0075][explosive1.1d]\n",null,null,1]
[2653,"thiourea,3-(nitrophenyl)-","709-72-8","NC(=S)Nc1c(cccc1)[N+](=O)[O-]","NC(=S)Nc1cc(ccc1)[N+](=O)[O-]",null,"NC(=S)Nc1cc(ccc1)[N+](=O)[O-]",2,1,1,"Verify Name","1-(3-nitrophenyl)thiourea\n709-72-8\n1-(3-nitrophenyl)-2-thiourea\n(3-nitrophenyl)thiourea\nn-(3-nitrophenyl)thiourea\nthiourea,n-(3-nitrophenyl)-\namino[(3-nitrophenyl)amino]methane-1-thione\nen300-87361\n1-(3-nitro)phenylthiourea\nnsc407996\n3-nitrophenylthiourea\nm-nitrophenyl-thiourea\n3-nitrophenylthiourea\nac1mbpyw\n(3-nitro-phenyl)-thiourea\nthiourea,(3-nitrophenyl)-\nac1q502o\nschembl1880400\nctk5d3269\ndtxsid10373050\nhqemuqnzgczhhn-uhfffaoysa-n\nmolport-000-157-805\nzinc6511809\n8523ae\nbbl025886\nsbb041174\nstl374100\nakos000113509\nchm0016767\nfch2083905\nmcule-8148602986\nnsc-407996\nvz20910\ncc-02116\nkb-08818\n1-(3-nitrophenyl)-2-thiourea,aldrichcpr\ndb-008004\ntr-023412\nft-0632860\nh2909\nst50171236\na837040\nc-09075\ni09-2285\n",null,null,1]
[2655,"1-ph-3,5-dime-4-nitrosopyrazole","715-99-1",null,"Cc1c(c(n(n1)-c2ccccc2)C)N=O",null,"Cc1c(c(n(n1)-c2ccccc2)C)N=O",2,0,2,"Verify Name","3,5-dimethyl-4-nitroso-1-phenylpyrazole\n715-99-1\nj55(van)\npyrazole,3,5-dimethyl-4-nitroso-1-phenyl-\nnsc18725\nbrn0168053\n1h-pyrazole,3,5-dimethyl-4-nitroso-1-phenyl-\n1-phenyl-3,5-dimethyl-4-nitroso-pyrazol[german]\nj55\n1-phenyl-3,5-dimethyl-4-nitroso-pyrazol\n3,5-dimethyl-4-nitroso-1-phenyl-pyrazole\n4-23-00-00627(beilsteinhandbookreference)\nac1l20i2\nac1q6r37\nschembl11119050\nctk5d4695\ndtxsid30221721\nnsc18725\nzinc4684227\nnsc-18725\nakos000447385\n1-phenyl-3,5-dimethyl-4-nitrosopyrazole\nj-55\npyrazole,5-dimethyl-4-nitroso-1-phenyl-\nls-128485\nst45017988\n1h-pyrazole,5-dimethyl-4-nitroso-1-phenyl-\n1h-pyrazole,3,5-dimethyl-4-nitroso-1-phenyl-(9ci)\n",null,null,1]
[2656,"Hydrazinecarboxamide, 2-[3-[5-nitro-2-furanyl)-2","721-71-1",null,"NC(=O)NN=CC=Cc1oc(cc1)[N+](=O)[O-]",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,0]
[2658,"Benzenesulfonamide, 4-amino-N-(5-methyl-1,2,4-ox","723-47-7",{"$nulls":3},"Cc1onc(n1)NS(=O)(=O)c2ccc(cc2)N",1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[2708,"1h-purine-2,6-dione,3,7-dihydro-1,3,8-trimethyl","830-65-9",null,"Cc1[nH]c2c(n1)n(c(n(c2=O)C)=O)C",null,"Cc1[nH]c2c(n1)n(c(n(c2=O)C)=O)C",2,0,2,"Verify Name","8-methyltheophylline\n830-65-9\n1,3,8-trimethyl-1h-purine-2,6(3h,7h)-dione\ntheophylline,8-methyl-\nxanthine,1,3,8-trimethyl-\n1,3,8-trimethyl-2,6-dioxopurine\n1,3,8-trimethylxanthine\nnsc14289\n1,3,8-trimethyl-3,9-dihydro-1h-purine-2,6-dione\nchembl89062\n3,7-dihydro-1,3,8-trimethyl-1h-purine-2,6-dione\n1,3,8-trimethyl-3,7-dihydro-purine-2,6-dione\n8-methyltheophyllin\n8-methyltheophyline\nnsc14289\nac1l3tfc\nac1q6lan\nxanthine,3,8-trimethyl-\nd08glj\nschembl461786\n1h-purine-2,6-dione,3,7-dihydro-1,3,8-trimethyl-\nschembl12900061\n1,8-trimethyl-2,6-dioxopurine\nctk8c1834\nctk8d7743\ndtxsid10232118\nmolport-002-511-913\nmolport-009-216-772\nwzbkgwbhapbsbf-uhfffaoysa-n\n1h-purine-2,6-dione,3,7-dihydro-1,3,8-trimethyl-(9ci)\nzinc6962421\n2829ac\nanw-67337\nbdbm50020853\nnsc-14289\nakos001036118\nakos016006781\nfch1191976\nmcule-4413041944\nxanthine,1,3,8-trimethyl-(8ci)\n1,3,8-trimethyl-7h-purine-2,6-dione\naj-57061\nax8226745\nls-149620\nwln:t56bmdnfnvnvjc1f1h1\n1h-purine-2,3,7-dihydro-1,3,8-trimethyl-\nz56785048\n1h-purine-2,6-dione,3,9-dihydro-1,3,8-trimethyl-\n1,3,8-trimethyl-2,3,6,9-tetrahydro-1h-purine-2,6-dione\n",null,null,1]
[2709,"1h-purine-2,6-dione,3,7-dihydro-1,3,7,8-tetrame","832-66-6",null,"Cc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",null,"Cc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",2,0,2,"Verify Name","1,3,7,8-tetramethylxanthine\n832-66-6\n1-methylcaffeine\n8-methylcaffeine\nmethylcaffeine\n1,3,7,8-tetramethylpurine-2,6-dione\n1-methyl-caffeine\nxanthine,1,3,7,8-tetramethyl-\nbrn0220502\nchembl87121\ntetramethyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione\n3,7-dihydro-1,3,7,8-tetramethyl-1h-purine-2,6-dione\n1h-purine-2,6-dione,3,7-dihydro-1,3,7,8-tetramethyl-\n8-methylcoffein\ntetramethylpurine-2,6-dione\n5-26-14-00172(beilsteinhandbookreference)\nac1l20h3\nschembl2704481\nctk8b5719\nks-00000lyb\ndtxsid70232215\nlfhhohmivkihmg-uhfffaoysa-n\nmolport-009-198-086\nbcp17086\n1h-purine-2,6-dione,3,7-dihydro-1,3,7,8-tetramethyl-(9ci)\nanw-49784\nbdbm50045336\nzinc13209709\nakos015913637\napi0007265\ncm10009\nds-0911\naj-63488\nak-36495\nan-47759\nbr-36495\ncj-14325\nsc-29025\nab0026902\nab1007444\nax8053711\ndb-082514\nls-162548\n4ch-014400\nft-0647668\nw8657\ns-3561\n832m666\ni14-4636\n1,3,7,8-tetramethyl-3,7-dihydro-purine-2,6-dione\n1,3,7,8-tetramethyl-3,7-dihydro-1h-purine-2,6-dione#\n1,3,7,8-tetramethylxanthine;1,3,7,8-tetramethylpurine-2,6-dione\n",null,null,0]
[2714,"2,4-bis((3-methoxypropyl)amino)-6-(methylthio)-s","845-52-3",null,"COCCCNc1nc(nc(n1)NCCCOC)SC",null,"COCCCNc1nc(nc(n1)NCCCOC)SC",2,0,2,"Verify Name","mpmt\nlambast\ncaswellno.098\n845-52-3\nunii-s2zo5w8f16\ncp17029\nhsdb1520\n2,4-bis(3-methoxypropylamino)-6-methylthio-s-triazine\nepapesticidechemicalcode082701\nbrn0619770\n1,3,5-triazine-2,4-diamine,n,n'-bis(3-methoxypropyl)-6-(methylthio)-\n2-methylmercapto-4,6-bis(3-methoxypropylamino)-s-triazine\ns2zo5w8f16\n2,4-bis((3-methoxypropyl)amino)-6(methylthio)-s-triazine\n2,4-bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine\nn,n'-bis(3-methoxypropyl)-6-methylthio-1,3,5-triazine-2,4-diamine\ns-triazine,2,4-bis((3-methoxypropyl)amino)-6-(methylthio)-\ns-triazine,2,4-bis[(3-methoxypropyl)amino]-6-(methylthio)-\nac1l21gr\nschembl2683261\ndtxsid6041341\nctk5f2624\nfbmdqvbgiysdti-uhfffaoysa-n\nzinc2040292\nls-155148\n2-n,4-n-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine\n2-n,4-n-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine\n",null,null,0]
[2716,"androst-5-en-17-one,3-(acetyloxy),3-beta-","853-23-6",null,"CC(=O)OC1CC=2C(CC1)(C3C(CC2)C4C(C(CC4)=O)(C)CC3)C",null,"CC(=O)OC1CC=2C(CC1)(C3C(CC2)C4C(C(CC4)=O)(C)CC3)C",2,0,2,"Verify Name","dehydroepiandrosteroneacetate\n853-23-6\nprasteroneacetate\ndehydroisoandrosterone3-acetate\ndehydroisoandrosteroneacetate\nandrostenoloneacetate\ntrans-dehydroandrosteroneacetate\n3beta-acetoxy-5-androstene-17-one\ndehydroisoandosterone3-acetate\nccris7926\ndehydroepiandrosterone3-acetate\nunii-45751h45my\n3-beta-acetoxydehydroepiandrosterone\nskf2847\neinecs212-714-1\n5-androsten-3beta-ol-7-oneacetate\n17-oxoandrost-5-en-3beta-ylacetate\ndelta5-dehydroepiandrosterone3-acetate\ndehydroepiandrost-5-en-17-one3-acetate\n3beta-hydroxy-5-androsten-17-oneacetate\n3beta-hydroxyandrost-5-en-17-oneacetate\n3beta-hydroxy-5-androstene-17-oneacetate\n3-beta-hydroxyandrost-5-en-17-oneacetate\n3beta-hydroxyandrost-5-en-17-one3-acetate\nncmzqtlcxhglok-zkhimwlxsa-n\n3beta-acetoxyandrost-5-en-17-one\nandrost-5-en-17-one,3-(acetyloxy)-,(3-beta)-\n45751h45my\n[(3s,8r,9s,10r,13s,14s)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]acetate\n(3beta)-17-oxoandrost-5-en-3-ylacetate\ndsstox_cid_380\ndsstox_rid_75554\nandrost-5-en-17-one,3-(acetyloxy)-,(3b)-\nandrost-5-en-17-one,3-beta-hydroxy-,acetate\ndsstox_gsid_20380\ndehydroepiandrosteroneacetate\n17-oxoandrost-5-en-3-ylacetate#\nncgc00016544-01\n(3s,8r,9s,10r,13s,14s)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ylacetate\ncas-853-23-6\nprestwick0_000937\nprestwick1_000937\nprestwick2_000937\nprestwick3_000937\nbspbio_000874\nmls002154068\nschembl298142\nspbio_003043\nooeaincaoiethucthornifeminine\nac1l24e6\nbpbio1_000962\nchembl1480686\ndtxsid3020380\nchebi:135410\nmolport-002-506-956\n3betaacetoxy-5-androstene-17-one\nhms1570l16\nhms2097l16\nhms2230i06\nhms3714l16\n3beta-acetoxy-5-androsten-17-one\nhy-b1405\nzinc3881408\n3beta-acetoxy-androst-5-en-17-one\ntox21_110485\ntox21_200963\n3beta-acetoxy-5-androstene-17-one\nakos015895423\nccg-220937\nchm0029112\ncs-6082\ndehydroisoandrosterone3-acetate,97%\nebd2197393\nls-7297\nmcule-4605464077\nncgc00179388-01\nncgc00179388-02\nncgc00258516-01\nak307717\nan-47791\nas-20015\nsmr001233383\n(3?)-17-oxoandrost-5-en-3-ylacetate\ntl8005578\n5-androsten-3.beta.-ol-17-one,3-acetate\nab00171449\nd0045\nz3653\na-7919\nandrost-5-en-17-one,3-(acetyloxy)-,(3b)-\n853d236\nq-200934\nbrd-k96527333-001-03-4\n3-|a-oc>>u-eyennoethucthorn-5-i(c)-17-ifeminine-3-xeaoyen\n(1s,2r,5s,10r,11s,15s)-2,15-dimethyl-14-oxotetracyclo[8.7.0.02,7.011,15]heptadec-7-en-5-ylacetate\n","Stereochemistry removed",null,1]
[2718,"phosphonicacid,(trichloromethyl)-,diethylest","866-23-9",null,"CCOP(=O)(OCC)C(Cl)(Cl)Cl",null,"CCOP(=O)(OCC)C(Cl)(Cl)Cl",2,0,2,"Verify Name","866-23-9\ndiethyltrichloromethylphosphonate\ndiethyl(trichloromethyl)phosphonate\nro3-0658\nphosphonicacid,trichloromethyl-,diethylester\nnsc46567\nbrn1210640\nai3-18556\nrvaqsywdoshwgp-uhfffaoysa-n\nmethanephosphonicacid,trichloro-,diethylester\nphosphonicacid,(trichloromethyl)-,diethylester\n1-[ethoxy(trichloromethyl)phosphoryl]oxyethane\ndiethyltrichloromethylphosphonate\nac1l2dbk\nwln:gxggpo&o2&o2\n4-03-00-00262(beilsteinhandbookreference)\nschembl3131911\nctk5f7032\ndtxsid50235688\nnsc46567\nzinc1678729\nnsc-46567\nsbb008195\ntrichloromethylphosphonicaciddiethyl\nakos015848630\nfr-1045\nmcule-3961735772\ndiethoxyphosphino(trichloromethyl)-1-one\ncj-27488\ndiethyl(trichloromethyl)phosphonate,97%\ndb-056945\nls-106808\ntr-026981\ntrichloromethanephosphonicaciddiethylester\nd4607\nft-0624864\n(trichloromethyl)phosphonicaciddiethylester\nc-51489\nphosphonicacid,p-(trichloromethyl)-,diethylester\ni14-53558\ndiethyl(trichloromethyl)phosphonate,purum,>=97.0%(gc)\n",null,null,1]
[2765,"p-methoxycinnamicacid(trans)","943-89-5",null,"COc1ccc(cc1)C=CC(=O)O",null,"COc1ccc(cc1)C=CC(=O)O",2,0,2,"Verify Name","4-methoxycinnamicacid\n830-09-1\np-methoxycinnamicacid\n3-(4-methoxyphenyl)acrylicacid\n943-89-5\ntrans-4-methoxycinnamicacid\n4-methoxycinnamate\npara-methoxycinnamicacid\no-methyl-p-coumaricacid\ncinnamicacid,p-methoxy-\n(e)-3-(4-methoxyphenyl)acrylicacid\n(e)-4-methoxycinnamicacid\n3-(4-methoxyphenyl)-2-propenoicacid\ncinnamicacid,4-methoxy-\n2-propenoicacid,3-(4-methoxyphenyl)-\n2-propenoicacid,3-(4-methoxyphenyl)-,(2e)-\n(e)-3-(4-methoxyphenyl)-2-propenoicacid\n(2e)-3-(4-methoxyphenyl)prop-2-enoicacid\nmethoxycinnamicacid,para\np-methoxycinnamate\n(e)-3-(4-methoxyphenyl)prop-2-enoicacid\nunii-6g4ml8401a\npmca\nnsc5303\np-methoxyciannamicacid\neinecs212-594-0\n3-(4-methoxyphenyl)prop-2-enoicacid\ntrans-3-(4-methoxyphenyl)acrylicacid\nchembl95770\nai3-23399\n4-methoxy-(2e)-cinnamicacid\n(2e)-3-(4-methoxyphenyl)acrylicacid\nafdxodalszrgih-qpjjxvbhsa-n\ntrans-2-propenoicacid,3-(4-methoxyphenyl)-\n6g4ml8401a\nnsc-5303\nnsc-623437\nncgc00159448-02\n(e)-3-(4-methoxy-phenyl)-acrylicacid\nmfcd00004398\n4-methoxycinnamicacid\np-methoxycinnamicacid,99%,predominantlytrans\n(e)-p-methoxycinnamicacid\nbernelhydro\n3-(4-methoxy-phenyl)-acrylicacid\neinecs213-405-4\npara-methoxycinnamate\n4-methoxycinnamate\np-methoxyciannamate\no-methyl-p-coumarate\npubchem8248\np-mca\np-methoxy-cinnamicacid\ntrans-4-methoxycinnamate\nac1lf8qh\nac1q5rar\no-methyl-p-cumaricacid\nbmse010212\n4-methoxybenzeneacrylicacid\ndsstox_cid_26059\ndsstox_rid_81310\n2-propenoicacid,3-(4-methoxyphenyl)-,(e)-\nakosbbb/225\ndsstox_gsid_46059\nschembl58699\n(e)-p-methoxy-cinnamicacid\nmls002473129\ntrans-4-methoxy-cinnamicacid\nrarechembkhct257\naronis000351\nmethoxycinnamicacid,4-\n3-(4-methoxy-phenyl)-acrylate\ndtxsid1046059\nafdxodalszrgih-qpjjxvbhsa-\nchebi:48541\ntimtec-bbsbb005717\nzinc77999\nnsc5303\nakosb000181\nmolport-000-655-960\nart-chem-bbb000181\nhms1783a08\nhms2267b19\n(e)-3-(4-methoxyphenyl)acrylate\n3-(4-methoxyphenyl)-2-propenoate\nalbb-011726\nbcp21420\nhy-n1387\n7340-42-3(hydrochloridesalt)\nakosbbs-00000769\ntox21_111674\nakosa1230-2778\nbbl012085\nbdbm50146453\nlabotest-bblt00108121\nlabotest-bblt03333631\nnsc623437\nsbb005717\nstk005095\nakos000118882\nas01561\nebd2197791\nls11390\nmcule-6993960877\nmp-2212\nps-5777\nrp17443\nrtr-025896\nrtr-029508\n(e)-3-(4-methoxyphenyl)-acrylicacid\notava-bb0123400502\nncgc00159448-03\nncgc00159448-04\n30-09-1\nac-10371\naj-10423\nak-98686\nan-20523\ncas-943-89-5\nkb-72675\nsc-50019\nsc-77648\nsmr000112200\nst098720\n4-methoxycinnamicacid,>=98.0%(gc)\np-methoxycinnamicacid,predominantlytrans\n4-methoxycinnamicacid,predominantlytrans\nab1003581\nls-123672\nst2410363\ntr-029508\ntr-049560\ncs-0016807\nm0576\naz0001-0155\n(2e)-3-(4-methoxyphenyl)-2-propenoicacid#\n4-methoxycinnamicacid,predominantlytrans,99%\n830m091\na837404\nae-641/00135031\ni04-9543\nw-100196\nw-104154\nf1638-0067\n0c546a89-9721-4b4e-89ee-7ec28a9a3391\ninchi=1/c10h10o3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7h,1h3,(h,11,12)/b7-4+\n","Stereochemistry removed",null,1]
[2770,"phosphoramidicacid,(4-methyl-1,3-dithiolan-2-y","950-10-7",null,"CCOP(=O)(N=C1SC(CS1)C)OCC",null,"CCOP(=O)(N=C1SC(CS1)C)OCC",2,0,2,"Verify Name","mephospholan\nmephosfolan\ncytrolaneinsecticide\nmephospholan[french]\nmephosfolan[bsi:iso]\nmephospholan[iso-french]\n950-10-7\ncytrolane\namericancyanamidcl-47470\nhsdb6411\neinecs213-447-3\nent-25,991\n2-(diethoxyphosphinylimino)-4-methyl-1,3-dithiolane\nac47470\nei-47470\nai3-25991\ncl-47,470\ncyclicpropylene(diethoxyphosphinyl)dithioimidocarbonate\ndiethyl(4-methyl-1,3-dithiolan-2-ylidene)phosphoroamidate\no,o-diethyl(4-methyl-1,3-dithiolan-2-ylidene)phosphoramidate\n(diethoxyphosphinyl)dithioimidocarbonicacidcyclicpropyleneester\nphosphonodithioimidocarbonicacidcyclicpropylenep,p-diethylester\n(40-methyl-1,3-dithiolan-2-ylid-ene)phosphoramidicaciddiethylester\nimidocarbonicacid,phosphonodithio-,cyclicpropylenep,p-diethylester\np,p-diethylcyclicpropyleneesterofphosphonodithioimidocarbonicacid\nphosphoramidicacid,(4-methyl-1,3-dithiolan-2-ylidene)-,diethylester\n1,2-propanedithiol,cyclicesterwithp,p-diethylphosphonodithioimidocarbonate\n1,3-dithiolane,2-(diethoxyphosphinylimino)-4-methyl-\nphosphoramidicacid,n-(4-methyl-1,3-dithiolan-2-ylidene)-,diethylester\nn-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine\nac1l22av\nschembl3734751\ndtxsid0058221\ncyclicpropylenep,p-diethylphosphonodithioimidocarbonate(8ci)\nac-47470\nls-63248\n(e)-n-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine\ncyclicpropylenep,p-diethylphosphonodithioimidocarbonate\n(z)-diethyl4-methyl-1,3-dithiolan-2-ylidenephosphoramidate\n12643-22-0\n947-33-1\n",null,null,0]
[2773,"porphazinamide","952-54-5",null,"O=C(NCN1CCOCC1)c2nccnc2",null,"O=C(NCN1CCOCC1)c2nccnc2",2,0,2,"Verify Name","morinamide\nmorphazinamide\nmorfazinamide\nmorphazinamid\npiazofolina\nmorfazinammide\nmorinamidum\nmorinamida\npiazolina\n952-54-5\nn-(morpholinomethyl)pyrazinecarboxamide\nmorfazinammide[dcit]\nmorphazinamid[german]\nmorinamide[inn:dcf]\nmorinamidum[inn-latin]\nmorinamida[inn-spanish]\nunii-8cfl28pa3w\nb2310\npiazolin\npyrazinecarboxamide,n-(morpholinomethyl)-\neinecs213-460-4\nbrn1215979\n8cfl28pa3w\npyrazinecarboxamide,n-(4-morpholinylmethyl)-\nncgc00160453-01\nn-(morpholinomethyl)pyrazine-2-carboxamide\nb-2311\nn-(morpholin-4-ylmethyl)pyrazine-2-carboxamide\ndsstox_cid_26159\ndsstox_rid_81390\ndsstox_gsid_46159\nmorfgazinamide\ncas-952-54-5\nsmr000685794\nmorinamide(inn)\nac1l2dya\noprea1_458428\noprea1_795153\nmls000881165\nmls000881213\nschembl563960\nchembl1697759\ndtxsid4046159\nchebi:134914\ngvtlavkavskbkk-uhfffaoysa-n\nmolport-000-422-769\nhms2964j12\n1473-73-0(mono-hydrochloride)\ntox21_111823\nstl487247\nzinc21673450\nakos000808739\ntox21_111823_1\nbrn1215979\nmcule-4774853940\nsdccgmls-0065558.p001\nncgc00160453-02\nls-127579\nst50037575\nd07248\nn-(4-morpholinylmethyl)-2-pyrazinecarboxamide#\nn-(morpholin-4-ylmethyl)pyrazin-2-ylcarboxamide\n",null,null,0]
[2779,"sulfaethoxypyr","963-14-4",null,"CCOc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",null,"CCOc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",2,0,2,"Verify Name","sulfaethoxypyridazine\ncysul\n963-14-4\nunii-880riw1ded\nn1-(6-ethoxypyridazin-3-yl)sulphanilamide\neinecs213-514-7\nbrn0286161\n880riw1ded\nn(sup1)-(6-ethoxy-3-pyridazinyl)sulfanilamide\nncgc00181916-01\nsulfanilamide,n(sup1)-(6-ethoxy-3-pyridazinyl)-\n4-amino-n-(6-ethoxypyridazin-3-yl)benzenesulfonamide\nac1l22em\ndsstox_cid_28622\ndsstox_rid_82892\ndsstox_gsid_48696\n5-25-12-00430(beilsteinhandbookreference)\nmls004712060\nschembl2490831\nzinc2113\nchembl3186751\ndtxsid4048696\nctk8g3251\nbenzenesulfonamide,4-amino-n-(6-ethoxy-3-pyridazinyl)-\nbcp20391\ntox21_113089\nmfcd00869228\nakos030254842\ncas-963-14-4\nsmr003475021\nsulfaethoxypyridazine,analyticalstandard\nls-147789\nn-1-(6-ethoxy-3-pyridazinyl)sulfanilamide\n4-amino-n-(6-ethoxy-3-pyridazinyl)benzenesulfonamide\n4-amino-n-(6-ethoxy-pyridazin-3-yl)-benzenesulfonamide\nbenzenesulfonamide,4-amino-n-(6-ethoxy-3-pyridazinyl)-(9ci)\n",null,null,0]
[2799,"1h-purine-2,6-dione,7-butyl-3,7-dihydro-1,3-dim","1021-65-4",null,"CCCCn1c2c(nc1)n(c(n(c2=O)C)=O)C",null,"CCCCn1c2c(nc1)n(c(n(c2=O)C)=O)C",2,0,2,"Verify Name","7-butyltheophylline\nunii-n2r6wu63dy\n1021-65-4\nbrn0250158\ntheophylline,7-butyl-\nn2r6wu63dy\n7-butyl-1,3-dimethyl-1h-purine-2,6(3h,7h)-dione\n7-butyl-1,3-dimethylpurine-2,6-dione\n3,7-dihydro-7-butyl-1,3-dimethyl-1h-purine-2,6-dione\n7-butyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione\nf3259-0261\n7-butyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione\n7-butyl-1,3-dimethyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione\nac1l2ecb\nac1q2wy5\n4-26-00-02349(beilsteinhandbookreference)\nmls000027070\n7-butyl-1,3-dimethylxanthine\nschembl4384952\nchembl2133341\nctk4a0752\ndtxsid60144636\nmolport-001-833-666\n1h-purine-2,6-dione,3,7-dihydro-7-butyl-1,3-dimethyl-\nhms2412e21\n1h-purine-2,6-dione,3,7-dihydro-7-butyl-1,3-dimethyl-(9ci)\nstk839296\nzinc13110598\nakos000722156\nmcule-9080916479\nbas01547068\nsmr000010659\nls-149431\nst50566137\n7-butyl-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione\nz112207570\n1h-purine-2,6-dione,7-butyl-3,7-dihydro-1,3-dimethyl-\n",null,null,1]
[2800,"4h-3,1-benzoxazin-4-one,2-phenyl","1022-46-4",null,"O=c1c2c(nc(o1)-c3ccccc3)cccc2",null,"O=c1c2c(nc(o1)-c3ccccc3)cccc2",2,0,2,"Verify Name","bentranil\n1022-46-4\nlinarotox\nlinurotox\n2-phenyl-4h-3,1-benzoxazin-4-one\n2-phenyl-3,1-benzoxazin-4-one\n2-phenyl-3,1-benzoxazinone-(4)\nh-170\n4h-3,1-benzoxazin-4-one,2-phenyl-\n2-phenyl-benzo[d][1,3]oxazin-4-one\nnsc16082\nunii-f6r7d8ujo5\nf6r7d8ujo5\nchembl24449\nhttlbyitfhmyfk-uhfffaoysa-n\n2-phenylbenzo[d]1,3-oxazin-4-one\n3-phenyl-1h-2,4-benzoxazin-1-one\n2-phenyl-4-[4h]-3,1-benzoxazinone\n4h-3,1-benzoxazin-4-one,2-phenyl-\nsr-01000389722\nnsc16082\nai3-61952\n4h-3,2-phenyl-\nmaybridge1_006945\nchemdiv2_003515\noprea1_579311\ncbdive_001429\nschembl272702\nac1l22s2\nwln:t66bvoenjdr\nctk4a0860\nhms561d15\nzinc94053\ndtxsid60144732\n3-phenyl-2,4-benzoxazin-1-one\nmolport-000-226-712\nhms1378p17\n2-phenyl-[3,1]benzoxazin-4-one\nbbl007658\nbdbm50077011\nnsc-16082\nstk385092\nakos000313370\njs-3012\nmcule-3271507278\nks-0000276l\nan-48334\nbas04934212\nst015578\n2-phenyl-4h-benzo[d][1,3]oxazin-4-one\nkb-174096\neu-0066816\nft-0622748\nt7270\nbentranil,pestanal(r),analyticalstandard\n022b464\nc-49007\nj-000660\nsr-01000389722-1\nsr-01000389722-2\ni14-51986\na0654/0030383\n",null,null,1]
[2803,"phosphonicdiamide,p-(5-amino-3-phenyl-1h-1,2,4","1031-47-6",null,"CN(C)P(=O)(N(C)C)n1c(nc(n1)-c2ccccc2)N",null,"CN(C)P(=O)(N(C)C)n1c(nc(n1)-c2ccccc2)N",2,0,2,"Verify Name","triamiphos\ntriamphos\nwepsyn\nwepsin\ntriamifos\nwepsyn155\nniagara5943\n1031-47-6\nwp155\ncaswellno.037a\nent27,223\ntriamiphos[iso:bsi]\nnsc232670\nunii-9i7u4x189b\nwepsyn-155\nhsdb6412\ntriamifos[german,dutch,italian]\nbis(dimethylamino)-3-amino-5-phenyltriazolylphosphineoxide\nepapesticidechemicalcode237200\nbrn0551608\nai3-27223\nphosphonicdiamide,p-(5-amino-3-phenyl-1h-1,2,4-triazol-1-yl)-n,n,n',n'-tetramethyl-\n5-amino-1-bis(dimethylamido)phosphoryl-3-phenyl-1,2,4-triazole\n5-amino-3-phenyl-1,2,4-triazolyl-1-bis(dimethylamido)pheosphate\n5-amino-3-phenyl-1,2,4-triazolyl-1-bis(dimethylamido)phosphate\n5-amino-1-(bis(dimethylamino)phosphinyl)-3-phenyl-1,2,4-triazole\n5-amino-3-phenyl-1-bis(dimethylamino)-phosphoryl-1h-1,2,4-triazol\n9i7u4x189b\n3-phenyl-5-amino-1,2,4-triazolyl-(1)-(n,n'-tetramethyl)diamidophosphonate\n5-amino-3-phenyl-1,2,4-triazole-1-yl-n,n,n',n'-tetramethylphosphodiamide\n5-amino-1-bis(dimethylamide)phosphoryl-3-phenyl-1,2,4-triazole\n5-amino-3-fenil-1-bis(-dimetilamino)-fosforil-1,2,4-triazolo\n5-amino-3-fenyl-1-bis(dimethyl-amino)-fosforyl-1,2,4-triazool\n5-amino-3-phenyl-1,2,4-triazolyl-nnn'n'-tetramethyl-phosphonamide\n5-amino-3-phenyl-1,2,4-triazolylbis(dimethylamino)-phosphinoxid\n5-amino-3-fenyl-1-bis(dimethyl-amino)-fosforyl-1,2,4-triazool[dutch]\n5-amino-3-phenyl-1-bis(dimethyl-amino)-phosphoryle-1,2,4-triazole\n5-amino-3-fenil-1-bis(-dimetilamino)-fosforil-1,2,4-triazolo[italian]\n5-amino-3-phenyl-1,2,4-triazolylbis(dimethylamino)-phosphinoxid[german]\n5-amino-3-phenyl-1-bis(dimethyl-amino)-phosphoryle-1,2,4-triazole[french]\n5-amino-3-phenyl-1-bis(dimethylamino)-phosphoryl-1h-1,2,4-triazol[german]\np-(5-amino-3-phenyl-1h-1,2,4-triazol-1-yl)-n,n,n',n'-tetramethyl-phosphonicdiamide\np-(5-amino-3-phenyl-1h-1,2,4-triazol-1-yl)-n,n,n',n'-tetramethylphosphonicdiamide\np-(5-amino-3-phenyl-1h-1,2,4-triazol-1-yl)-n,n,n'-tetramethylphosphonicdiamide\nac1l22te\nschembl29306\ndtxsid2042482\nchebi:82069\ntriamifos(german,italian)\nbabjtmnvjxlaex-uhfffaoysa-n\nnsc232670\nnsc-232670\nls-106836\nc18927\nwln:t5nndnjapon1&1&n1&1cr&ez\n2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-am\n5-amino-3-fenil-1-bis(-dimetilamino)-fosforil-1,4-triazolo\n5-amino-3-fenyl-1-bis(dimethyl-amino)-fosforyl-1,4-triazool\n5-amino-3-phenyl-1,4-triazolyl-1-bis(dimethylamido)phosphate\nphosphonicdiamide,2,4-triazol-1-yl)-n,n,n',n'-tetramethyl-\n2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine\n5-amino-1-(bis(dimethylamide)phosphoryl)-3-phenyl-1,2,4-triazole\n5-amino-1-(bis(dimethylamido)phosphoryl)-3-phenyl-1,2,4-triazole\n5-amino-1-[bis(dimethylamide)phosphoryl]-3-phenyl-1,4-triazole\n5-amino-1-[bis(dimethylamido)phosphoryl]-3-phenyl-1,4-triazole\n5-amino-1-[bis(dimethylamino)phosphinyl]-3-phenyl-1,4-triazole\n5-amino-3-phenyl-1,4-triazolyl-n,n,n',n'-tetramethylphosphonamide\n5-amino-3-phenyl-1-bis(dimethyl-amino)-phosphoryle-1,4-triazole\n5-amino-3-phenyl-1-bis(dimethylamino)-phosphoryl-1h-1,4-triazol\n5-amino-3-phenyl-1,2,4-triazolyl-n,n,n',n'-tetramethylphosphonamide\n5-amino-3-phenyl-1,4-triazole-1-yl-n,n,n',n'-tetramethylphosphodiamide\np-(5-amino-3-phenyl-1h-1,2,4-triazol-1-yl)-n,n,n',n'-tetramethylphosphonicdiamide\np-(5-amino-3-phenyl-1h-1,4-triazol-1-yl)-n,n,n',n'-tetramethylphosphonicdiamide\nphosphonicdiamide,p-(5-amino-3-phenyl-1h-1,2,4-triazol-1-yl)-n,n,n',n'-tetramethyl-(8ci)\nphosphonicdiamide,p-(5-amino-3-phenyl-1h-1,2,4-triazol-1-yl)-n,n,n',n'-tetramethyl-(8ci)(9ci)\n",null,null,0]
[2806,"1-butanone,1-(4-fluorophenyl)-4-[4-hydroxy-4-(4","1050-79-9",null,"Cc1ccc(cc1)C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O",null,"Cc1ccc(cc1)C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O",2,0,2,"Verify Name","moperone\nmethylperidol\nmeperon\n1050-79-9\nluvatren\nluvatrena\nmoperone[inn]\nunii-ou730881w5\nmoperonehcl\nagahnabidctlhw-uhfffaoysa-n\nmoperone(inn)\nou730881w5\nbutyrophenone,4'-fluoro-4-(4-hydroxy-4-p-tolylpiperidino)-\n1-butanone,1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)-1-piperidinyl]-\n4'-fluoro-4-(4-hydroxy-4-p-tolylpiperidino)butyrophenone\nmopiperone\nr1658\nmoperona\nmoperonum\n1-butanone,1-(4-fluorophenyl)-4-(4-hydroxy-4-(4-methylphenyl)-1-piperidinyl)-\n4'-fluoro-4-(4-hydroxy-4-p-tolylpiperidino)butyrophenone;4'-fluoro-4-(4-hydroxy-4-p-tolylpiperidino)butyrophenone\nmoperonum[inn-latin]\nncgc00188430-01\nmoperona[inn-spanish]\neinecs213-887-6\nac1l1hqp\nschembl34340\nchembl2104700\n3871-82-7(hydrochloride)\nbdbm81486\nctk8g1178\np-fluoro-4-(4'-hydroxy-4'-p-tolylpiperidino)butyrophenone\nchebi:135500\nomega-(4-hydroxy-4-p-tolylpiperidino)-p-fluorobutyrophenone\nzinc538026\nnsc_4249\np-fluoro-4-(4'-hydroxy-4'-p-methylphenylpiperidino)butyrophenone\nakos030254497\napi0003426\n1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)-1-piperidinyl]-1-butanone\ncas_1050-79-9\nft-0672517\nd02623\nl000665\n1-(3'-p-fluorobenzoylpropyl)-4-hydroxy-4-p-tolylpiperidine\ngamma-(4-hydroxy-4-p-methylphenylpiperidino)-p-fluorobutyrophenone\n1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)-1-piperidinyl]-1-butanone#\n1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]butan-1-one\n",null,null,0]
[2828,"Methyl-succinic acid diamide","1115-61-3","CC(CC(N)=O)C(N)=O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[2829,"Heptanoic acid, 2-amino-, (.+-.)-","1115-90-8",null,"CCCCCC(N)C(=O)O",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[2848,"n-methyl-m-tolylcarbamate","1129-41-5","Cc1cc(ccc1)N(C)C(=O)O","CNC(=O)Oc1cc(ccc1)C",null,"CN=C(O)Oc1cc(ccc1)C",2,1,1,"Verify Name","metolcarb\nm-tolylmethylcarbamate\nmetacrate\nmtmc\n1129-41-5\ntsumacide\nm-cresylmethylcarbamate\n3-tolylmethylcarbamate\nm-tolyln-methylcarbamate\n3-tolyln-methylcarbamate\nm-cresyln-methylcarbamate\nmetholcarb\ntsumaunka\nkumiai\nm-methylphenylmethylcarbamate\n3-methylphenylmethylcarbamate\n3-methylphenyln-methylcarbamate\nmethylcarbamicacidm-tolylester\nm-cresylesterofn-methylcarbamicacid\ndrc3341\nmetolcarb[bsi:iso]\ncarbamicacid,methyl-,m-tolylester\nmetholcarb[iso-french]\nunii-4n7omz879v\ncarbamicacid,methyl-,3-methylphenylester\nnsc91193\nchebi:38537\nhsdb6416\n(3-methylphenyl)n-methylcarbamate\neinecs214-446-0\ndicresyln-methylcarbamate\ns1065\nm-tolylesterkyselinymethylkarbaminove\nrcrawasteno.p190\nbrn2045865\nai3-27694\n4n7omz879v\nm-tolylesterkyselinymethylkarbaminove[czech]\ncarbamicacid,n-methyl-,3-methylphenylester\ndicresyl\ntumacide\nmaybridge3_000696\nac1l23ld\nwln:1mvorc1\nnciopen2_001532\n4-06-00-02050(beilsteinhandbookreference)\ncarbamicacid,3-tolylester\nschembl118244\nchembl2046816\ndtxsid8057938\nvoeyxmafndnned-uhfffaoysa-\nmolport-002-893-823\nvoeyxmafndnned-uhfffaoysa-n\nhms1432p14\nzinc135179\nnsc91193\nbdbm50004687\nccg-52777\nfch831719\nnsc-91193\nakos006229276\nmetolcarb10ng/microlincyclohexane\ncarbamicacid,methyl-,3-tolylester\nmcule-2997058078\nidi1_012083\nncgc00160533-01\nas-16081\ncc-31036\nkb-55043\nls-50399\ns268\nzb004744\n570-ep2274983a1\n570-ep2275422a1\n570-ep2292608a1\n570-ep2308858a1\n570-ep2311816a1\n570-ep2311817a1\nft-0603547\nmetolcarb,pestanal(r),analyticalstandard\nc18747\ncarbamicacid,n-methyl-,3-methylphenylester\nk-0984\n26882-ep2280009a1\n26882-ep2314583a1\nc-04608\nsr-01000641987-1\nmetoclarbsolution,100mg/l,1ml(rm,isoguide34)\ninchi=1/c9h11no2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6h,1-2h3,(h,10,11)\n",null,null,1]
[2860,"Butanedioic acid, 2,3-diethyl-","1186-79-4","CCC(C(=O)O)C(CC)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[2872,"n,n-dime-n-g-phenylpropylamine","1199-99-1",null,"CN(C)CCCc1ccccc1",null,"CN(C)CCCc1ccccc1",2,0,2,"Verify Name","n,n-dimethyl-3-phenylpropan-1-amine\n1199-99-1\n1-dimethylamino-3-phenylpropane\nbenzenepropanamine,n,n-dimethyl-\nchembl289199\nnmxxdrktojaaqs-uhfffaoysa-n\n3-phenylpropyldimethylamine\nac1l18ls\ndimethyl(3-phenylpropyl)amine\nschembl119103\nbenzenepropanamine,n,n-dimethyl-\nctk4b1620\nn,n-dimethyl-3-phenylpropylamine\na3977/0169437\ndtxsid10152620\ndimethyl-(3-phenyl-propyl)-amine\nmolport-002-740-444\n3-phenyl-1-(dimethylamino)propane\nzinc2003734\nbdbm50047897\nstk687645\npropylamine,n,n-dimethyl-3-phenyl-\nakos005600598\nmcule-2948484267\nn,n-dimethyl-3-phenyl-1-propanamine#\nst4125149\nn,n-dimethyl-.gamma.-phenylpropylaminehydrochloride\n",null,null,1]
[2874,"methyln-benzoglycine","1205-08-9",null,"COC(=O)CNC(=O)c1ccccc1",null,"COC(=O)CNC(=O)c1ccccc1",2,0,2,"Verify Name","methyl2-benzamidoacetate\n1205-08-9\nmethylhippurate\nmethyln-benzoylglycinate\nhippuricacid,methylester\nmethyl(benzoylamino)acetate\nglycine,n-benzoyl-,methylester\nn-benzoylglycinemethylester\nbenzoylglycinemethylester\nhippuratemethylester\nhippuricacidmethylester\nn-benzoyl-glycinemethylester\nchebi:70869\nmethyl2-(phenylformamido)acetate\nxtkvnqkotkpckm-uhfffaoysa-n\nmethylhippurat\nmethylbenzoylglycinate\nenamine_005885\nmethylbenzoylaminoacetate\nbenzoylglycinmethylester\nmls001049059\nmethylesterofhippuricacid\nmethyl2-(benzoylamino)acetate\nac1l243u\nac1q446u\nccg-17\nchembl218718\nschembl3961994\nctk4b1910\nzinc50188\ndtxsid90152880\nglycine,n-benzoyl-,methylester\nmolport-001-845-726\nhms1410l11\nhms2270h24\nmethyln-(phenylcarbonyl)glycinate\nanw-46507\nbenzoylamino-aceticacidmethylester\nmethyl2-(phenylcarbonylamino)acetate\nstk708263\nakos000659809\nmcule-5724434889\nidi1_008120\nncgc00246304-01\naj-09091\nak-86097\nbas00238830\nbbv-27015610\ncc-24434\nkb-47732\nsmr000386897\nzb001481\nax8115966\ndb-032320\nst4010012\ntc-135252\nft-0633483\nst24030932\nx9429\nab00698021-06\nc-08554\nsr-01000391982\ni01-9565\nsr-01000391982-1\nsr-01000391982-2\na0563/0026020\n4639-10-5\n",null,null,1]
[2877,"benzoicacid,4-hydroxy,octylester","1219-38-1",null,"CCCCCCCCOC(=O)c1ccc(cc1)O",null,"CCCCCCCCOC(=O)c1ccc(cc1)O",2,0,2,"Verify Name","octyl4-hydroxybenzoate\n1219-38-1\nn-octyl4-hydroxybenzoate\noctylparaben\noctylparaben\noctylp-hydroxybenzoate\np-hydroxybenzoicacidoctylester\nbenzoicacid,4-hydroxy-,octylester\np-oxybenzoesaureoctylester\n4-hydroxybenzoicacidn-octylester\nunii-4uvk431k6b\np-oxybenzoesaureoctylester[german]\nbenzoicacid,p-hydroxy-,octylester\neinecs214-943-2\nnsc309820\nbrn2807114\n4uvk431k6b\nrikcmedsbfqfal-uhfffaoysa-n\nfr-2323\ndsstox_cid_27933\ndsstox_rid_82686\ndsstox_gsid_47957\ncas-1219-38-1\nn-octylparaben\noctyl4-oxidanylbenzoate\njuniferdinderivative,8\nn-octyl-4-hydroxybenzoate\nksc493i3r\nschembl190525\nac1l249l\nchembl117895\ndtxsid0047957\nbdbm86377\nctk3j3438\nks-00000yzv\nmolport-002-502-005\n4-hydroxy-benzoicacidoctylester\nzinc1568934\ntox21_200908\ntox21_303430\n6291af\nnsc309820\nsbb008610\nakos015856355\nnsc-309820\nrtr-003552\nvz33389\nncgc00248872-01\nncgc00257503-01\nncgc00258462-01\nan-48913\nls-37650\ntr-003552\nft-0633496\no0443\nst50826915\nbenzoicacid,4-hydroxy-,octylester(9ci)\na804816\nc-15437\ni14-92329\n",null,null,1]
[2881,"3h-pyrazol-3-one,4,4'-methylenebis[1,2-dihydro-","1251-85-0","O=c1c(c[nH][nH]1)Cc2c([nH][nH]c2)=O","Cc1n(n(c(c1Cc2c(n(n(c2C)C)-c3ccccc3)=O)=O)-c4ccccc4)C",null,"Cc1n(n(c(c1Cc2c(n(n(c2C)C)-c3ccccc3)=O)=O)-c4ccccc4)C",2,1,1,"Verify Name","1251-85-0\ndiantipyrylmethane\n4,4'-methylenediantipyrine\nbisantipyrylmethane\ndiantipyrinylmethane\n4,4'-methylenebis(1,5-dimethyl-2-phenyl-1h-pyrazol-3(2h)-one)\n4,4'-diantipyrylmethane\ndiantipyrylmethane\n3h-pyrazol-3-one,4,4'-methylenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-\nantipyrine,4,4'-methylenedi-\n4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1h-pyrazol-3-one\ntrichachnine\n3h-pyrazol-3-one,4,4'-methylenebis(1,2-dihydro-1,5-dimethyl-2-phenyl-\n4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one\n4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one\n4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one\ndiantipyrylmethan\ndiantipyrrylmethane\nnsc60670\neinecs215-009-7\nnsc60670\ntrichachine\ntoslab33092\n4-4'-diantipyrylmethane\nchemdiv2_001377\nac1l3w0t\nantipyrine,4'-methylenedi-\noprea1_189735\nmls000554200\nchembl85233\nac1q69t8\nschembl3879841\njsp001646\ndtxsid2061640\nmolport-001-937-647\nqathnknpuvvkhk-uhfffaoysa-n\n4,4diantipyrylmethanemonohydrate\nhms1372m13\nhms2584j09\nzinc622215\nac1q4009\nks-00000g0n\n4,4'-diantipyrylmethanemonohydrate\nccg-21478\nnsc-60670\nstk873672\nakos000361498\nmcule-5318939880\nne10267\ntra0162924\nncgc00246258-01\naj-23773\nak114218\nan-22370\nbas00532170\nsmr000146517\nzb014663\nkb-239396\neu-0079791\nft-0624620\nst50233566\nz3656\nen300-19746\naf-407/31882031\nw-108404\nbrd-k06968280-001-07-3\ni14-17999\n4,4'-methylenebis[1,5-dimethyl-2-phenyl-3-pyrazolone\nz1250100649\ndi-(1-phenyl-2poundnot3-dimethylpyrazolon-5-yl)methane\n3h-pyrazol-3-one,4,4'-methylenebis*1,2-dihydro-1,5-dimethyl-2-phenyl-\n3h-pyrazol-3-one,4'-methylenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-\n3h-pyrazol-3-one,4,4'-methylenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-\n4,4'-methanediylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one)\n4,4'-methylenebis(1,2-dihydro-1,5-dimethyl-2-phenyl-3h-pyrazol-3-one)\n4,4-diantipyrylmethanemonohydrate,fortianalysispoundnotinvertedexclamationmarky98.0%\n4,4invertedexclamationmark-methylenebis(1,2-dihydro-1,5-dimethyl-2-phenyl)-3h-pyrazol-3-one\n4,4invertedexclamationmark-methylenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-3h-pyrazol-3-on\n4-[(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))methyl]-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one\n47545-55-1\n",null,null,0]
[2884,"XYLIDINE","1300-73-8","Cc1c(c(ccc1)N)C","Cc1c(c(ccc1)N)C","*C","*C",2,0,2,"Search at least one confirmation",null,"Organic counterion",null,0]
[2890,"TRICRESYL PHOSPHATE","1330-78-5","Cc1ccc(cc1)OP(=O)(Oc2ccc(cc2)C)Oc3ccc(cc3)C","Cc1ccc(cc1)OP(=O)(Oc2ccc(cc2)C)Oc3ccc(cc3)C",null,null,2,0,2,"Search at least one confirmation",{"$nulls":3},0]
[2914,"piperidine,3-ethyl-,","1484-80-6",null,"CCC1NCCCC1",null,"CCC1NCCCC1",2,0,2,"Verify Name","2-ethylpiperidine\n1484-80-6\npiperidine,2-ethyl-\n.alpha.-ethylpiperidine\n2-ethylpiperidin\n2-ethyl-piperidine\nalpha-ethylpiperidine\nqbbkkfzgcdjdqk-uhfffaoysa-n\n2-ethylpiperidine\n2-ethvlpiperidine\n2-ethyl-piperidin\neinecs216-058-7\nnsc211477\npubchem6758\nacmc-1bgny\nac1l3rqh\nac1q2ubs\ntimtec-bbsbb004312\n2-ethylpiperidine95+%\n(+)-2-ethyl-piperidine\nbmse000714\nac1q4vm8\nakosbbs-00003602\nschembl30613\nchembl22270\nctk0h5150\nmolport-001-791-756\nnsc211477\nsbb004312\nstl183254\nakos000119095\nakos016039385\nlf-0519\nmcule-4598810496\nne18047\nnsc-211477\nvp80128\nks-000013w1\n78738-37-1\nan-49314\nkb-23785\nsc-45892\nu502\ndb-021051\ntc-164453\ntl8001057\ne0308\nft-0612293\nst24032462\nst45255391\nab01003590-01\ni14-1539\nf2190-0329\n","Stereochemistry removed",null,0]
[2917,"2-(acetyloxy)-4-bromo-benzoicacid","1503-53-3","CC(=O)Oc1c(ccc(c1)Br)C(=O)O","CC(=O)Oc1c(cc(cc1)Br)C(=O)O",null,"CC(=O)Oc1c(cc(cc1)Br)C(=O)O",2,1,1,"Verify Name","bromoaspirin\n2-(acetyloxy)-5-bromobenzoicacid\nsedasprin\n1503-53-3\n2-acetoxy-5-bromobenzoicacid\n5-bromosalicylicacidacetate\n5-bromo-2-acetylsalicylicacid\n2-acetyloxy-5-bromobenzoicacid\n5-bromoacetylsalicylicacid\nacetyl5-bromosalicylicacid\nbenzoicacid,2-(acetyloxy)-5-bromo-\nc9h7bro4\nunii-bzu1717onv\nacetyl-5-bromosalicylicacid\nnsc2400\nsalicylicacid,5-bromo-,acetate\nbrn2695058\nbzu1717onv\nai3-15466\nac1l2kt4\nac1q25ov\noprea1_489072\nschembl25027\n2-10-00-00064(beilsteinhandbookreference)\nzinc1050\n2-acetoxy-5-bromo-benzoicacid\nchembl2260706\ndtxsid1074541\nctk4c6612\nnsc2400\nmolport-002-320-038\nvrjbevqgjosgox-uhfffaoysa-n\nnsc-2400\n8157af\nstk386182\nakos005358662\nbenzoicacid,2-(acetyloxy)-5-bromo-\nmcule-4103590957\nls-144260\nst50937312\nbenzoicacid,2-(acetyloxy)-5-bromo-(9ci)\nsr-01000883945\nsr-01000883945-1\n",null,null,0]
[2923,"2-propenoicacid,2-methyl-,(1-methylethylidene","1565-94-2",null,"C=C(C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(cc2)OCC(O)COC(=O)C(=C)C",null,"C=C(C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(cc2)OCC(O)COC(=O)C(=C)C",2,0,2,"Verify Name","bis-gma\n1565-94-2\nsilux\npanaviaopaque\nbisphenolaglycidylmethacrylate\nbisphenola-glycidylmethacrylate\nnupol1629\nbisphenolaglycidylmethacrylate\nnupol46-4005\nbisphenolaglycerolatedimethacrylate\nbisphenol(a)glycidylmethacrylate\neinecs216-367-7\nbisphenola-diglycidyl-dimethylacrylate\nbrn2316426\n2,2-bis[4-(2-hydroxy-3-methacryloxypropoxy)phenyl]propane\nchebi:34580\n2-propenoicacid,2-methyl-,(1-methylethylidene)bis(4,1-phenyleneoxy(2-hydroxy-3,1-propanediyl))ester\nadaptic\nretroplast\nnuvaseal\nbis-gmapolymer\nconciseenamelbond\npoly(bis-gma)\nepoxylite9075\nenamelbond,concise\n1565-94-2(parent)\n(1-methylethylidene)bis(4,1-phenyleneoxy(2-hydroxy-3,1-propanediyl))bismethacrylate\n[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propyl]2-methylprop-2-enoate\n2-propenoicacid,2-methyl-,(1-methylethylidene)bis[4,1-phenyleneoxy(2-hydroxy-3,1-propanediyl)]ester\nsmr000857281\nccris8222\nbis(phenola-glycidylmethacrylate),homopolymer\n2-propenoicacid,2-methyl-,1,1'-((1-methylethylidene)bis(4,1-phenyleneoxy(2-hydroxy-3,1-propanediyl)))ester\n2-propenoicacid,2-methyl-,1,1'-[(1-methylethylidene)bis[4,1-phenyleneoxy(2-hydroxy-3,1-propanediyl)]]ester\nac1l25ke\ndsstox_cid_24841\ndsstox_rid_80521\ndsstox_gsid_44841\nschembl15349\nmls001333623\nmls001333624\nchembl1600257\ndtxsid7044841\n30757-19-8(homopolymer)\namfgwxwbfgvckg-uhfffaoysa-n\n12704-74-4(adaptic)\nhms2232m17\nbisphenoladiglycidylmethacrylate\n83382-93-8(silux)\ntox21_301683\nakos015903791\nacn-051743\nacm24447721\nncgc00247011-01\nncgc00256180-01\n12704-74-4\n2-propenoicacid,2-methyl-,(1-methylethylidene)bis(4,1-phenyleneoxy(2-hydroxy-3,1-propanediyl))ester,homopolymer\n30757-19-8\n83382-93-8\nan-19736\ncas-1565-94-2\nbisphenoladiglycidyldimethacrylate\nls-123696\nc14511\ni14-18356\nbisphenolaglycerolatedimethacrylate,glycerol/phenol1\n[2-hydroxy-3-[4-[1-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-1-methyl-ethyl]phenoxy]propyl]2-methylprop-2-enoate\n108074-17-5\n1188908-53-3\n124872-97-5\n125336-80-3\n131715-57-6\n143001-02-9\n149095-54-5\n171904-25-9\n178935-23-4\n185226-82-8\n210708-90-0\n21078-90-0\n24577-48-8\n39434-39-4\n82794-31-8\n88542-28-3\n",null,null,0]
[2933,"2,3-Dibromo-acrylic acid","1578-72-9","O=C(O)C(Br)=CBr",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[2967,"Butane-1,2,3,4-tetracarboxylic acid, racemic","1703-58-8",null,"O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[2977,"[1,2,4,5]tetrazino[1,2-a][1,2,4,5]tetrazine,oct","1743-13-1",null,"C1N2N(CNN1)CNNC2",null,"C1N2N(CNN1)CNNC2",2,0,2,"Verify Name","tetraformaltrisazine\n1743-13-1\neinecs217-112-2\nunii-ky3zmg8tj6\nnsc55937\nky3zmg8tj6\noctahydro-s-tetrazino(1,2-a)-s-tetrazine\noctahydro[1,2,4,5]tetrazino[1,2-a][1,2,4,5]tetrazine\nnsc55937\n[1,2,4,5]tetrazino[1,2-a][1,2,4,5]tetrazine,octahydro-\ns-tetrazino(1,2-a)-s-tetrazine,octahydro-\noctahydro(1,2,4,5)tetrazino(1,2-a)(1,2,4,5)tetrazine\n(1,2,4,5)tetrazino(1,2-a)(1,2,4,5)tetrazine,octahydro-\n1,2,3,4,6,7,8,9-octahydro-[1,2,4,5]tetrazino[1,2-a][1,2,4,5]tetrazine\noctahydro-s-tetrazino[1,2-a]-s-tetrazine\noctahydro-(1,2,4,5)tetrazino(1,2-a)(1,2,4,5)tetrazine\noctahydro-[1,2,4,5]tetrazino[1,2-a][1,2,4,5]tetrazine\ntetraformyltrisazine\nac1l2lxu\nac1q4yjc\ns-tetrazino[1,octahydro-\nschembl12859165\nctk3i8971\ndtxsid90169812\nnsc-55937\nzinc19168862\nls-149034\ns-tetrazino(1,2-a)-s-tetrazine,octahydro-(8ci)\noctahydro[1,4,5]tetrazino[1,2-a][1,2,4,5]tetrazine\n[1,4,5]tetrazino[1,2-a][1,2,4,5]tetrazine,octahydro-\n(1,2,4,5)tetrazino(1,2-a)(1,2,4,5)tetrazine,octahydro-(9ci)\n1,2,3,4,6,7,8,9-octahydro-[1,2,4,5]tetrazino[1,2-a][1,2,4,5]\n",null,null,1]
[2995,"2-[(6-chloro-3-pyridazinyl)thio]-n,n-diethylacet","1830-32-6",null,"CCN(CC)C(=O)CSc1nnc(cc1)Cl",null,"CCN(CC)C(=O)CSc1nnc(cc1)Cl",2,0,2,"Verify Name","azintamide\nazinthiamide\noragalin\noragallin\nbilipurum\nbiloral\ncolerin\noragal\noragallinpurum\n1830-32-6\nazintamid\nora-gallin\nazintamide[inn]\nazintamidum[inn-latin]\nazintamida[inn-spanish]\nc10h14cln3os\nunii-acz6l64b41\nst9067\neinecs217-384-2\nnsc291837\nn,n-diethyl(6-chloropyridazin-3-ylthio)acetamide\nbrn0885011\nx23\nacz6l64b41\nazintamide(inn)\nn,n-diethyl-2-(6-(3-chloropyridazinyl)thio)acetamide\n(3-chlor-pyridazinyl-(6)-thio)-essigsaeurediaethylamid\n2-((6-chloro-3-pyridazinyl)thio)-n,n-diethylacetamide\n(3-chloro-pyridazinyl-(6)-thio)-aceticaciddiethylamide\nacetamide,2-(6-chloro-3-pyridazinylthio)-n,n-diethyl-\nn,n-diethyl-2-(6-(3-chloropyridazinyl)mercapto)acetamide\nacetamide,2-((6-chloro-3-pyridazinyl)thio)-n,n-diethyl-\n(3-chlor-pyridazinyl-(6)-thio)-essigsaeurediaethylamid[german]\n(6-chlorpyridazin-3-ylthio)diethylacetamide\nazintamida\nazintamidum\nsr-01000945218\nora-gallinpurum\ncolerin(tn)\nac1l2fjv\nzinc984\n5-23-11-00092(beilsteinhandbookreference)\nmls006011938\nschembl1236142\nchembl2104678\ndtxsid50171370\nchebi:135068\nmolport-006-113-696\nwln:t6nnjcgfs1vn2&2\nnsc291837\nakos025401654\nls-8687\nmcule-9812925001\nnsc-291837\nst-9067\nac-24006\nsmr004703523\nx-23\nft-0733632\nd07485\nsr-01000945218-1\nsr-01000945218-2\n(3-chloro-pyridazinyl-(6)-thio)aceticaciddiethylamide\n2-(6-chloropyridazin-3-yl)sulfanyl-n,n-diethylacetamide\nz221446992\n2-[(6-chloropyridazin-3-yl)sulfanyl]-n,n-diethylacetamide\nacetamide,2-[(6-chloro-3-pyridazinyl)thio]-n,n-diethyl-\n1830-82-6\n",null,null,0]
[3000,"2h-1-benzopyran-3-carboxylicacid,2-oxo-,ethyl","1846-76-0",null,"CCOC(=O)c1c(oc2c(c1)cccc2)=O",null,"CCOC(=O)c1c(oc2c(c1)cccc2)=O",2,0,2,"Verify Name","1846-76-0\nethylcoumarin-3-carboxylate\nethyl2-oxo-2h-chromene-3-carboxylate\n3-ethoxycarbonylcoumarin\nethyl3-coumarincarboxylate\n3-carbethoxycoumarin\nethylcoumarin-3-carboxylate\ncoumarin-3-carboxylicacidethylester\nethyl2-oxochromene-3-carboxylate\n1,2-benzopyran-2-one-3-carboxylicacid,ethylester\nnsc620\n2h-1-benzopyran-3-carboxylicacid,2-oxo-,ethylester\nbrn0200147\nxkhpemkbjguycm-uhfffaoysa-n\n2h-1-benzopyran-3-carboxylicacid,2-oxo-,ethylester\nthyl3-coumarincarboxylate\nauroraka-28\n3-carboethoxycoumarin\nacmc-20akxo\npubchem8681\nrarechemabkak001\nmaybridge1_001094\nac1l26no\nac1q34ak\nac1q34al\nchembl591436\nfc16\nnsc620\nschembl6243624\n2-oxo-2h,ethylester\nctk4d8781\nhms544j16\nxkhpemkbjguycm-uhfffaoysa-\nzinc28114\ndtxsid70171594\nnsc-620\nmolport-000-875-438\nethyl3-coumarincarboxylate,99%\nzx-at006675\n6195ad\nor6525\nqc-377\nstk721837\nakos002664637\nccg-244048\nmcule-4205860758\nps-5756\nsdccgmls-0065851.p001\nvz32189\naj-08467\ncc-28127\nls-39230\nsc-62338\nst001289\nzb000818\nethyl2-oxo-2h-chromene-3-carboxylate#\nab0076384\nax8000747\ndb-044537\nethyl2-oxidanylidenechromene-3-carboxylate\nkb-252701\ntr-008522\ne0992\nft-0625770\npropionicacid2-oxo-2h-chromen-3-ylester\nst24046885\n2-oxo-chromene-3-carboxylicacidethylester\n1,2-benzopyran-2-one-3-carboxylicacid,ethylester\n2-oxo-1-benzopyran-3-carboxylicacidethylester\na812880\naj-333/36116059\nc-11912\nj-011833\ns14-1370\na3989/0169935\ninchi=1/c12h10o4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7h,2h2,1h3\n",null,null,1]
[3010,"phenoxyaceticacid,4-cyclohexyl","1878-56-4",null,"O=C(O)COc1ccc(cc1)C2CCCCC2",null,"O=C(O)COc1ccc(cc1)C2CCCCC2",2,0,2,"Verify Name","(4-cyclohexylphenoxy)aceticacid\n2-(4-cyclohexylphenoxy)aceticacid\n1878-56-4\nnsc522030\nac1l6yg9\nschembl5274797\ndtxsid90325936\nfodxakqizrqxbs-uhfffaoysa-n\nmolport-001-000-996\nzinc406196\nalbb-025596\nzx-an024110\naceticacid,(4-cyclohexylphenoxy)-\nsbb072604\nstk030297\nakos000294657\nmcule-2516931365\nnsc-522030\n(4-cyclohexyl-phenoxy)-aceticacid\nr6054\nst45028573\n",null,null,0]
[3017,"Quinazoline, 3,4-dihydro-","1904-64-9","C=1NCc2c(N1)cccc2",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3036,"P-MEO-B-PHENYLPROPIONIC ACID","1929-29-9",null,"COc1ccc(cc1)CCC(=O)O",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[3043,"1,2-cyclohexanediol,1-methyl-4-(1-methylethenyl","1946-00-5",null,"C=C(C)C1CC(C(CC1)(C)O)O",null,"C=C(C)C1CC(C(CC1)(C)O)O",2,0,2,"Verify Name","p-menth-8-ene-1,2-diol\n57457-97-3\n8-p-menthene-1,2-diol\n1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol\n1946-00-5\n1,2-cyclohexanediol,1-methyl-4-(1-methylethenyl)-\np-menth-8(9)-ene-1,2-diol\nlimonene-1,2-diol\nmenth-8-ene-1,2-diol\n1-methyl-4-(1-methylethenyl)-1,2-cyclohexanediol\nlimoneneglycol\n1-methyl-4-(1-methylvinyl)cyclohexane-1,2-diol\n1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol\neinecs217-745-4\nac1l3rrb\n8-p-menthen-1,2-diol\nac1q77vk\n8-p-menthadien-1,2-diol\nschembl131198\nchebi:17219\nctk8d9659\nwkzwtztzwgwege-uhfffaoysa-n\nakos022184789\nacm1946005\nfch1759971\n4cn-1823\nst24038109\nw1934\n4-isopropenyl-1-methyl-1,2-cyclohexanediol#\nc18020\n1199-56-0\n7632-34-0\n",null,null,1]
[3048,"p-dibutylterephthalate","1962-75-0",null,"CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC",null,"CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC",2,0,2,"Verify Name","dibutylterephthalate\n1962-75-0\n1,4-benzenedicarboxylicacid,dibutylester\nterephthalicacid,dibutylester\nunii-7o6sh6vn97\ndi-n-butylterephthalate\ndibutylbenzene-1,4-dicarboxylate\nnsc6349\neinecs217-803-9\n1,4-dibutylbenzene-1,4-dicarboxylate\nbrn2137106\nai3-11048\n7o6sh6vn97\nlqlqdkbjaiiliq-uhfffaoysa-n\n1,4-benzenedicarboxylicacid,1,4-dibutylester\nec217-803-9\nschembl37476\nterephthalicaciddibutylester\nac1l276u\ndtxsid3022168\nctk8h4604\nnsc6349\nnsc-6349\nzinc1693418\nakos026676550\ncj-28337\nls-148736\n1,4-benzenedicarboxylicacid1,4-dibutylester\nf8880-2472\n",null,null,1]
[3054,"1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-di","1972-03-8",null,"CC12C(NC(C(CC1)C2(C)C)=O)=O",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[3089,"DL-Allothreonine, O-methyl-","2076-53-1","COC(C)C(N)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3090,"DL-Threonine, O-methyl-","2076-57-5","COC(C)C(N)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[3095,"Butanedioic acid, 3-ethyl-2,2-dimethyl-","2103-31-3","CCC(C(=O)O)C(C)(C)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3098,"2H-Naphtho[1,2-b]pyran-2-one, 4-methyl-","2107-75-7","Cc1c2c(oc(c1)=O)c3c(cc2)cccc3",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3120,"1,3-Cyclohexanedione, 2,2'-methylenebis[5,5-dime","2181-22-8",null,"CC1(CC(C(C(C1)=O)CC2C(CC(CC2=O)(C)C)=O)=O)C",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[3123,"1h-pyrrole-2-carboxylicacid,3,5-dimethyl-,eth","2199-44-2",null,"CCOC(=O)c1c(cc([nH]1)C)C",null,"CCOC(=O)c1c(cc([nH]1)C)C",2,0,2,"Verify Name","2199-44-2\nethyl3,5-dimethyl-1h-pyrrole-2-carboxylate\n3,5-dimethyl-1h-pyrrole-2-carboxylicacidethylester\nethyl3,5-dimethylpyrrole-2-carboxylate\nethyl3,5-dimethyl-2-pyrrolecarboxylate\n1h-pyrrole-2-carboxylicacid,3,5-dimethyl-,ethylester\n3,5-dimethyl-1h-pyrrole-2-carboxylicacidethylester\nethyl3,5-dimethyl-1h-pyrrole-2-carboxylate\nizsbszyfpyijdi-uhfffaoysa-n\nmfcd00010645\nf1443-6137\nethyl3,5-dimethyl-1h-pyrrole-2-carboxylate,98%\nnsc10763\npubchem23984\nac1l3aoc\nacmc-1cdc7\nac1q32ak\n3,5-dimethyl-1h-pyrrole-2-carboxylicacidethylester\nksc496q7t\nschembl257250\naronis020988\niflab1_005847\npyr196\njsp004468\nctk3j6879\nks-00000fmp\nks-00004ckv\nzinc38817\ndtxsid40176410\n2,4-dimethyl-5-carbethoxypyrrole\nmolport-000-144-892\nhms1428j17\n2,4-dimethyl-5-carbethoxy-pyrrole\ncs-d1225\nanw-24659\nnsc-10763\nnsc121772\nsbb019119\nstk081710\nakos000320047\nac-2762\nethyl3,5dimethyl-2-pyrrolecarboxylate\nfs-1116\nmcule-6823788413\nnsc121772\nnsc-121772\nrp02524\nrtr-010326\nsdccgmls-0066154.p001\ntra0045261\nvp60084\nidi1_011250\naj-08804\nan-13642\nbr-28998\ncj-00234\nethyl3,5-dimethyl-2-pyrrolecarboxylate\nethyl3,5-dimethyl-pyrrole-2-carboxylate\nkb-51043\nsc-25549\nst055086\nsy002845\nzb001071\nab0020676\ndb-006308\nst2412952\ntr-010326\na4719\ne0843\neu-0066793\nft-0080847\nft-0614660\nv1649\nvu0118677-5\nethyl3,5-dimethyl-2-pyrrolecarboxylate,98%\nm-2870\nethyl3,5-dimethyl-1h-pyrrole-2-carboxylate#\n199d442\n3,5-dimethyl-2-pyrrolecarboxylicacidethylester\ni11-0062\nw-206702\nethyl3-methyl-5-methylpyrrole-2-carboxylate\nz57201481\n3,5-dimethyl-1h-pyrrole-2-carboxylicacidethylester\npyrrole-2-carboxylicacid,3,5-dimethyl-,ethylester\n1h-pyrrole-2-carboxylicacid,3,5-dimethyl-,ethylester(9ci)\ninchi=1/c9h13no2/c1-4-12-9(11)8-6(2)5-7(3)10-8/h5,10h,4h2,1-3h\n",null,null,0]
[3127,"BUTANE, 2,3-DICHLORO-, (R*,R*)-(.+-.)-","2211-67-8",null,"CC(Cl)C(C)Cl",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,2]
[3133,"(+)-fenchol","2217-02-9",null,"CC12CC(CC1)C(C)(C)C2O",null,"CC12CC(CC1)C(C)(C)C2O",2,0,2,"Verify Name","(1r)-endo-(+)-fenchylalcohol\nfenchylalcohol\n2217-02-9\nunii-ow0kep592n\now0kep592n\nalpha-fenchol\nalpha-fenchylalcohol\nbicyclo[2.2.1]heptan-2-ol,1,3,3-trimethyl-,(1r,2r,4s)-\n(1r)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol\nbicyclo(2.2.1)heptan-2-ol,1,3,3-trimethyl-,(1r,2r,4s)-\ndl-alpha-fenchol\n(+/-)-alpha-fenchol\nfenchylalkohol\nfemano.2480,alpha-\n14575-74-7\n()-fenchol\n(+)-alpha-fenchol\nalpha-(+)-fenchol\n(1r-endo)-fenchol\nalpha-fenchol,(+)-\n2-norbornanol,1,3,3-trimethyl-,endo-\nac1l1ukl\nac1oe1yy\nac1q2ccl\nbmse000495\nfenchylalcohol,>=96%\ndsstox_cid_24307\ndsstox_rid_80144\ndsstox_gsid_44307\nalpha-fenchylalcohol,(+)-\nbicyclo(2.2.1)heptan-2-ol,1,3,3-trimethyl-,endo-\nchembl3188732\ndtxsid6044307\nfenchylalcohol,>=96%,fg\n(+)-fenchol,analyticalstandard\nzinc968128\nfenchylalcohol,analyticalstandard\ntox21_301348\nakos028109357\nncgc00255994-01\n(1r)-endo-(+)-fenchylalcohol,96%\ncas-2217-02-9\nj-014563\n(1r,3r,4s)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol\n(1s,3r,4r)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol\nunii-32y92u27ducomponentiaihuhqcltytsf-oyncushfsa-n\nunii-410q2gk1hfcomponentiaihuhqcltytsf-oyncushfsa-n\n","Stereochemistry removed",null,1]
[3152,"phosphoricacid,2-chloro-(2,4-dichlorophenyl)vin","2274-67-1",null,"COP(=O)(OC)OC(=CCl)c1c(cc(cc1)Cl)Cl",null,"COP(=O)(OC)OC(=CCl)c1c(cc(cc1)Cl)Cl",2,0,2,"Verify Name","dimethylvinphos\nshellsd-8280\nunii-849g62jom2\noms-712\ndimethylvinphos(ztype)\n67628-93-7\n(z)-dimethylvinphos\nent25,818\nsd8280\nai3-25818\n849g62jom2\n2-chloro-1-(2,4-dichlorophenyl)vinyldimethylphosphate\n[(z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl]dimethylphosphate\n2274-67-1\n2-chloro-1-(2,4-dichlorophenyl)ethenyldimethylphosphate\nphosphoricacid,2-chloro-1-(2,4-dichlorophenyl)ethenyldimethylester\nphosphoricacid,2-chloro-1-(2,4-dichlorophenyl)vinyldimethylester\ndimethylvinphos(z)\nac1o5g0j\nschembl114689\ndtxsid9058026\nqsgnqelhulimsj-pohahgresa-n\ndimethylvinphos,analyticalstandard\nzinc43068330\nls-107534\ndimethylvinphos,pestanal(r),analyticalstandard\ndimethylvinphos(ztype)10ng/microlincyclohexane\n(z)-2-chloro-1-(2,4-dichlorophenyl)vinyldimethylphosphate\nphosphoricacid(z)-2-chloro-1-(2,4-dichlorophenyl)vinyldimethyl\n109202-92-8\n71363-52-5\n2274-67-1\n2-chloro-1-(2,4-dichlorophenyl)ethenyldimethylphosphate\nrangado\nphosphoricacid,2-chloro-1-(2,4-dichlorophenyl)vinyldimethylester\nphosphoricacid,2-chloro-1-(2,4-dichlorophenyl)ethenyldimethylester\ndimethylvinphos(e)\nshellsd8280\nschembl114690\noms712\nchebi:38659\nphosphoricacid,2-chloro-1-(2,4-dichlorophenyl)ethenyldimethylester\nqsgnqelhulimsj-uxblzvdnsa-n\nzinc2003718\nakos030627317\nacm2274671\n2-chloro-1-(2,4-dichlorophenyl)vinyldimethylphosphate\nphosphoricacid(e)-2-chloro-1-(2,4-dichlorophenyl)vinyldimethyl\nphosphoricacid,2-chloro-1-(2,4-dichlorophenyl)ethenyldimethylester\n2274-67-1\n","Stereochemistry removed",null,0]
[3155,"Sulfanilamide, N1-(4-ethyl-2-pyrimidinyl)-","2276-96-2","CCc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3161,"3-me-4'-no2-diphenylether","2303-25-5",null,"Cc1cc(ccc1)Oc2ccc(cc2)[N+](=O)[O-]",null,"Cc1cc(ccc1)Oc2ccc(cc2)[N+](=O)[O-]",2,0,2,"Verify Name","1-methyl-3-(4-nitrophenoxy)benzene\n2303-25-5\n1-(3-methylphenoxy)-4-nitrobenzene\nbenzene,1-methyl-3-(4-nitrophenyl)-\ntope\nac1l28qi\noprea1_351990\nschembl4370814\nchembl2270118\nctk8h7135\ndtxsid40177583\nmolport-003-720-346\nzinc242507\nstk114079\nakos001579603\nmcule-2198104308\nkb-309733\neu-0034220\nst51061547\nsr-01000395499\nsr-01000395499-1\n",null,null,1]
[3165,"1h-purine-2,6,8(3h)-trione,7,9-dihydro-1,3,7,9-","2309-49-1",null,"Cn1c(n(c2c(c1=O)n(c(n2C)=O)C)C)=O",null,"Cn1c(n(c2c(c1=O)n(c(n2C)=O)C)C)=O",2,0,2,"Verify Name","tetramethyluricacid\ntemurin\n2309-49-1\ntemorine\n1,3,7,9-tetramethyluricacid\n1,3,7,9-tetramethyl-1h-purine-2,6,8(3h,7h,9h)-trione\nba2750\ntetramethyluricacid\ntheacrine\n1h-purine-2,6,8(3h)-trione,7,9-dihydro-1,3,7,9-tetramethyl-\nunii-ej939l81my\nmls002638067\nej939l81my\n1,3,7,9-tetramethylpurine-2,6,8-trione\nnsc8809\neinecs218-994-1\nuricacid,1,3,7,9-tetramethyl-\nai3-52596\nac1l2oir\n1,3,7,9-tetramethylurate\n1,7,9-tetramethyluricacid\nac1q6j42\nchembl143715\nmegxp0_001699\nschembl2817943\nuricacid,3,7,9-tetramethyl-\nacon1_000549\ndtxsid90177659\nnsc8809\n1,3,7,9-tetramethyluricacid\nmolport-001-742-468\nqgdoqulisiqfhq-uhfffaoysa-n\nzinc392595\nnsc-8809\nakos027446341\nds-3244\nks-00000h60\nncgc00168972-01\nak515770\nsmr001547560\nft-0749152\nuricacid,1,3,7,9-tetramethyl-(8ci)\nc-48117\nbrd-k97243111-001-01-9\ntetramethyl-2,3,6,7,8,9-hexahydro-1h-purine-2,6,8-trione\n1,3,7,9-tetramethyl-7,9-dihydro-1h-purine-2,6,8(3h)-trione\n1,3,7,9-tetramethyl-7,9-dihydro-1h-purine-2,6,8(3h)-trione#\n1h-purine-2,8(3h)-trione,7,9-dihydro-1,3,7,9-tetramethyl-\n",null,null,0]
[3185,"L-TRYPTOPHAN, N-ACETYL, ETHYL ESTER","2382-80-1",null,"CCOC(=O)C(Cc1c2c([nH]c1)cccc2)N(C)C=O",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,0]
[3187,"1-Camphoronic Acid","2385-74-2",null,"CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[3200,"3,4-dimephenyln-methylcarbamate","2425-10-7",null,"CNC(=O)Oc1cc(c(cc1)C)C",null,"CNC(=O)Oc1cc(c(cc1)C)C",2,0,2,"Verify Name","xylylcarb\nmpmc\nmeobal\n3,4-xylylmethylcarbamate\n2425-10-7\n3,4-dimethylphenylmethylcarbamate\n3,4-dimethylphenyln-methylcarbamate\nmethylcarbamicacid3,4-xylylester\nphenol,3,4-dimethyl-,methylcarbamate\n3,4-dimethylphenolmethylcarbamate\ncarbamicacid,methyl-,3,4-xylylester\nxylylcarb[bsi:iso]\n(3,4-dimethylphenyl)n-methylcarbamate\nunii-2999840edw\nphenol,3,4-dimethyl-,1-(n-methylcarbamate)\nwcjytpvnmwizcg-uhfffaoysa-n\nv17004\neinecs219-364-9\ncarbamicacid,n-methyl-,(3,4-dimethylphenyl)ester\n2999840edw\nbrn2047375\n3,4-xylylesterkyselinymethylkarbaminove\nai3-27693\n3,4-xylylesterkyselinymethylkarbaminove[czech]\nxylecarb\nschembl63141\n3,4-xylyln-methylcarbamate\nbidd:er0428\nac1l297h\ndtxsid3058032\nchebi:35048\nwcjytpvnmwizcg-uhfffaoysa-\nzinc2038307\nakos006273043\nxylylcarb100ng/microlinacetonitrile\nkb-55104\nls-50409\n3,4-dimethylphenylmethylcarbamate(9ci)\nft-0691991\nc14579\ncarbamicacid,3,4-dimethylphenylester,n-methyl\ninchi=1/c10h13no2/c1-7-4-5-9(6-8(7)2)13-10(12)11-3/h4-6h,1-3h3,(h,11,12)\n",null,null,1]
[3214,"TERPIN HYDRATE (cis-form)","2451-01-6",null,"CC1(CCC(CC1)C(C)(C)O)O",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[3216,"9h-fluorene-9-carboxylicaicd,2-chloro-9-hydrox","2464-37-1",null,"O=C(O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O",null,"O=C(O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O",2,0,2,"Verify Name","chlorflurecol\nchlorflurenol\n2464-37-1\n2-chloro-9-hydroxy-9h-fluorene-9-carboxylicacid\nchloroflurenol\n2-chloro-9-hydroxyfluorene-9-carboxylicacid\ncme73170p\ncf125\ncaswellno.192a\nit3299\nchlorflurecol[bsi:iso]\n9h-fluorene-9-carboxylicacid,2-chloro-9-hydroxy-\nchloroflurenol[iso-french]\nnsc102385\neinecs219-565-1\nfluorene-9-carboxylicacid,2-chloro-9-hydroxy-\nepapesticidechemicalcode292200\nbrn3344166\n2-chloro-9-hydroxy-9-fluorenecarboxylicacid\nw-107291\ncme73170p\nac1l29gq\nschembl68561\n4-10-00-01339(beilsteinhandbookreference)\nchembl1904254\ndtxsid2034251\nctk1a3036\nsvoauhhkpgkpqk-uhfffaoysa-n\nnsc102385\nakos015961500\nacm2464371\nnsc-102385\nva10574\nncgc00164303-01\nac-14072\nan-50962\nchlorflurenolpestanal(2-chloro-9-hydr\nls-69207\no684\nax8015705\ntr-011354\n2-chloro-9-hydroxy-fluorene-9-carboxylicaci\n2-chloro-9-hydroxyflurene-9-carboxylicacid\nft-0634303\n2-chloro-9-hydroxyfluorene-9-carboxylicacid\n2-chloro-9-hydroxy-fluorene-9-carboxylicacid\n2-chloro-9-hydroxy-9h-fluorene-9-carboxylicaci\n2-chloro-9-hydroxy-9h-fluorene-9-carboxylicacid\nchlorflurenol,pestanal(r),analyticalstandard\n2-chloranyl-9-oxidanyl-fluorene-9-carboxylicacid\n464c371\na817414\nc-16273\n9h-fluorene-9-carboxylicacid,2-chloro-9-hydroxy-\nfluorene-9-carboxylicacid,2-chloro-9-hydroxy-(8ci)\n",null,null,1]
[3235,"benz(a)anthracene-7-methyl","2541-69-7",null,"Cc1c2c(cc3c1cccc3)c4c(cc2)cccc4",null,"Cc1c2c(cc3c1cccc3)c4c(cc2)cccc4",2,0,2,"Verify Name","7-methylbenz[a]anthracene\n2541-69-7\n7-methylbenz(a)anthracene\n7-methyltetraphene\n7-methylbenzanthracene\nbenz[a]anthracene,7-methyl-\n10-methyl-1,2-benzanthracene\n7-mba\n3,4-benz-9-methylanthracene\n10-methyl-1,2-benzanthracen\n7-methylbenzo(a)anthracene\nunii-f0662cqu1q\nnsc30974\n7-monomethylbenz(a)anthracene\nccris384\nhsdb4056\nmethylbenz(a)anthracene\neinecs219-819-1\n7-methylbenzo[a]anthracene\nbenz(a)anthracene,7-methyl-\n10-methyl-1,2-benzanthracen[german]\nbrn1872370\n7-methylbenz[alpha]anthracene\nf0662cqu1q\nmethylbenz[a]anthracene\n7-monomethylbenz[a]anthracene\nacmc-1ckn4\nac1l29th\nbenz[a]anthracene,7-methyl-\n7-methylbenzo[a]anthracene#\nctk4f5713\ndtxsid40180072\ndiifucupdhmniv-uhfffaoysa-n\nmolport-001-738-790\nks-000012vo\nnsc30974\nwln:ld6b666jj1\nzinc1661476\nanw-25720\nnsc-30974\nakos024340898\nacm2541697\nmcule-2826900769\ntra0060431\ncj-26848\nkb-74186\nls-27873\ntc-114465\nft-0671524\nm0248\nc-46648\n",null,null,1]
[3240,"ethanediimidamide,n,n''-dihydroxy-","2580-79-2","N=C(N)C(=NO)NO","NC(N=O)=C(N)NO","NC(=NO)C(N)=NO","NC(=NO)C(N)=NO",3,1,0,"Verify Name","diaminoglyoxim\n2580-79-2\nnsc70867\n(1z,2e)-n'1,n'2-dihydroxyoxalimidamide\nkayh@qelgik\\sspedh\nkayh@qelgik\\sspehh\nac1nsa6u\nn,n'-dihydroxyethanediimidamide\nmolport-001-001-999\nmolport-002-507-639\ngeo-00917\nn',n'~2~-dihydroxyethanediimidamide\nnsc-70867\nakos000291514\nacm2580792\nn-[(z)-1,2-diamino-2-nitrosoethenyl]hydroxylamine\ndiaminoglyoxime\n2580-79-2\n(1z,2e)-n'1,n'2-dihydroxyoxalimidamide\nac1o0qdx\nn1-hydroxy-2-nitrosoethene-1,1,2-triamine\nac1q6r0f\nschembl2268982\nschembl19350244\nmolport-000-689-119\nmolport-019-780-882\nbbl012449\nstk260072\nakos001036411\nakos005258336\nakos030659819\nmcule-4305290462\n1,2-di(hydroxyimino)ethane-1,2-diamine\nst4125636\n(1z,2e)-n'~1~,n'~2~-dihydroxyethanediimidamide\n(1z,2z)-n'~1~,n'~2~-dihydroxyethanediimidamide\nn-[(e)-1,2-diamino-2-nitrosoethenyl]hydroxylamine\ni14-55678\na3990/0169984\ndiaminoglyoxim\n2580-79-2\nac1l5ime\nzinc16101905\n(1e,2e)-n'1,n'2-dihydroxyoxalimidamide\nft-0624615\nn-(1,2-diamino-2-nitrosoethenyl)hydroxylamine\n","Stereochemistry removed",null,1]
[3270,"n-me-3,5-dimethylphenylcarbamate","2655-14-3",null,"CNC(=O)Oc1cc(cc(c1)C)C",null,"CNC(=O)Oc1cc(cc(c1)C)C",2,0,2,"Verify Name","cosban\nmaqbarl\nmacbal\n3,5-xylylmethylcarbamate\nxmc(pesticide)\n3,5-dimethylphenylmethylcarbamate\n3,5-dimethylphenyln-methylcarbamate\ncarbaron\n3,5-xylyln-methylcarbamate\nmaqbal\n3,5-xylenyln-methylcarbamate\n2655-14-3\n3,5-xmc\n3,5-xylenol,methylcarbamate\nxmc\nmethylcarbamicacid3,5-xylylester\nn-methyl-3,5-xylylcarbamate\nxmc(van)\ndrc3340\ncarbamicacid,methyl-,3,5-xylylester\nphenol,3,5-dimethyl-,methylcarbamate\nh-69\n3,5-dimethylphenolmethylcarbamate\nunii-s0z6gj0v0r\nnsc35375\n3,5-xylylesterkyselinymethylkarbaminove\nhsdb6748\n3,5-xylylmethylcarbamate(8ci)\ns1041\n(3,5-dimethylphenyl)n-methylcarbamate\nbrn1948121\ns0z6gj0v0r\n3,5-dimethylphenylmethylcarbamate(9ci)\nchebi:38571\n3,5-xylylesterkyselinymethylkarbaminove[czech]\nphenol,3,5-dimethyl-,methylcarbamate(9ci)\n3,methylcarbamate\nxmc,jmaf\nac1l2a8n\n4-06-00-03147(beilsteinhandbookreference)\nschembl338080\nwln:1mvorc1e1\nchembl2271132\ndtxsid7058042\ncvqodewapzvvbu-uhfffaoysa-\ncvqodewapzvvbu-uhfffaoysa-n\nxmc(3,5-xylylmethylcarbamate)\nnsc35375\nzinc1667585\nphenol,5-dimethyl-,methylcarbamate\nnsc-35375\nakos006273340\ncj-27035\nkb-62286\nls-50410\nft-0692017\nc18771\nxmc(3,5-xylylmethylcarbamate)10ng/microlincyclohexane\ninchi=1/c10h13no2/c1-7-4-8(2)6-9(5-7)13-10(12)11-3/h4-6h,1-3h3,(h,11,12)\n",null,null,1]
[3271,"3,5-bis(tert-butyl)phenolmethylcarbamate","2655-19-8","CC(C)(C)c1cc(cc(c1)O)C(C)(C)C","CNC(=O)Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C","CNC(=O)Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C","CNC(=O)Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C",3,1,0,"Verify Name","butacarb\nbutacarbe[french]\ncaswellno.291b\nbutacarb[iso:bsi]\nunii-48sle5y118\n2655-19-8\nhsdb2799\n3,5-di-t-butylphenylmethylcarbamate\nbts14639\nepapesticidechemicalcode291300\n3,5-di-tert-butylphenylmethylcarbamate\nbrn1914596\nrd14639\nphenol,3,5-bis(1,1-dimethylethyl)-,methylcarbamate\n3,5-di-tert-butylphenyln-methylcarbamate\n48sle5y118\n3,5-bis(1,1-dimethylethyl)phenolmethylcarbamate\ncarbamicacid,methyl-,3,5-di-tert-butylphenylester\n(3,5-ditert-butylphenyl)n-methylcarbamate\nbutacarbe\nbutacarb[iso]\nac1l2a8q\nschembl77964\ndtxsid0041690\nchebi:82089\nctk8h9087\nls-50101\nphenol,3,5-bis(1,1-dimethylethyl)-,methylcarbamate(9ci)\n",null,null,1]
[3276,"phosphorodithioicacid,s-[2-(ethylsulfinyl)ethy","2703-37-9",null,"CCS(=O)CCSP(=S)(OC)OC",null,"CCS(=O)CCSP(=S)(OC)OC",2,0,2,"Verify Name","thiometonsulfoxide\nbayer23453\n2703-37-9\nent24,689\nbrn1711272\nai3-24689\no,o-dimethyls-(2-ethylsulfinyl)ethyldithiophosphate\nphosphorodithioicacid,o,o-dimethyls-(2-ethylsulfinyl)ethylester\nphosphorodithioicacid,s-(2-(ethylsulfinyl)ethyl)o,o-dimethylester\nac1l2pss\nent-24689\nacm2703379\nls-108286\nthiometon-sulfoxide100ng/microlincyclohexane\n2-ethylsulfinylethylsulfanyl-dimethoxy-sulfanylidene-\n2-ethylsulfinylethylsulfanyl-dimethoxy-sulfanylidene-?^{5}-phosphane\n2-ethylsulfinylethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phos\n2-ethylsulfinylethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane\n",null,null,0]
[3296,"2,6-anthracenedisulfonicacid,4,8-diamino-9,10-","2861-02-1",null,"Nc1c2c(c(c(c1)S(=O)(=O)O)O)C(c3c(C2=O)c(O)c(S(=O)(=O)O)cc3N)=O",null,"Nc1c2c(c(c(c1)S(=O)(=O)O)O)C(c3c(C2=O)c(O)c(S(=O)(=O)O)cc3N)=O",2,0,2,"Verify Name","acidblue45\nairedaleblueb\nacidalizarinesapphireb\n2861-02-1\nalizrinsaphirol\nbucacidbluebl\neloxonebluerl\neriocyanines\nalizarinesapphire\neloxonbluerl\nsolwaybluebn\nquinizolbluebp\nfenazolightblue\nacilansapphirolb\nalizarinebluebv\nalizarinebluemb\nalizarinesaphirolb\nanthraquinoneblueb\nkitonfastbluecb\nalizarinesapphirolb\nalizarinesapphirebn\nfastbondbluegds\nanthraquinonebluebn\nanthraquinonebluebp\nciacidblue45\noxanalfastbluecb\nacidleatherbluecb\ntetracidlightblueb\nalizarinesapphirebln\nalizarinelightblueb\ntertracidlightblueb\nalizarinebluesap-cf\nvondacidlightbluebg\nvondacidlightbluebn\nc.i.63010\nalizarinelightbluebn\nalizarinepaperbluebp\nalizarinebluesapr-cf\nalizarinebrilliantblueg\nmitsuializarinesaphirolb\nextdandcblueno.4\nalizarinebrilliantblue2bs\ncalcocidalizarinebluesapb\nalizarinebluesapspecialcf\nunii-5y5526nl81\nc.i.acidblue45\nextractdandcbluenumber4\neinecs220-678-3\nnsc41818\nnsc47699\n5y5526nl81\ndisodium4,8-diamino-1,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate\nw-107037\ndisodium4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulphonate\ndisodium4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2,6-anthracenedisulfonate\n2,6-anthracenedisulfonicacid,4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-,disodiumsalt\n2,6-anthracenedisulfonicacid,4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-,sodiumsalt(1:2)\n2,6-anthracenedisulfonicacid,9,10-dihydro-4,8-diamino-1,5-dihydroxy-9,10-dioxo-,disodiumsalt\n84842-84-2\ndisodium4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulfonate\nac1mvxhg\nalizarinsaphirol\nac1l2hrm\nac1q1uv5\n128-86-9(parent)\nschembl11135532\nc14h8n2o10s2.2na\nctk5f3260\nmolport-003-908-892\nwsalidvqxchfeg-uhfffaoysa-l\nakos015903515\nakos024306981\nakos025310855\nci63010\nls-20345\nt057\na-8756\ni14-18704\nsodium4,8-diamino-1,5-dihydroxy-anthraquinone-2,6-disulfonate\nsodium-4,8-diamino-1,5-dihydroxy-anthraquinone-2,6-disulfonate\n4,8-diamino-1,5-dihydroxyanthraquinone-2,6-disulfonicaciddisodiumsalt\ndipotassium4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulfonate\nsodium4,8-diamino-1,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate\n169160-41-2\n194100-69-1\n",null,null,0]
[3301,"Phosphonic acid, phenyl, di-2-propenyl ester","2948-89-2",null,"C=CCOP(=O)(OCC=C)c1ccccc1",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[3317,"g-32292(aratone)","3035-45-8",null,"CNc1nc(nc(n1)NC(C)C)OC",null,"CNc1nc(nc(n1)NC(C)C)OC",2,0,2,"Verify Name","noretone\naratone\ng32292\ns-triazine,2-isopropylamino-4-methoxy-6-methylamino-\n2-isopropylamino-4-methoxy-6-methylamino-s-triazine\n2-methoxy-4-methylamino-6-isopropylamino-s-triazine\nbrn0612016\n3035-45-8\n1,3,5-triazine-2,4-diamine,6-methoxy-n-methyl-n'-(1-methylethyl)-\n6-methoxy-4-n-methyl-2-n-propan-2-yl-1,3,5-triazine-2,4-diamine\nac1l2bki\nschembl2682570\ndtxsid80184433\nudlndewomcyeia-uhfffaoysa-n\nakos017532471\nls-155448\ng-32292\n6-methoxy-n2-methyl-n4-(propan-2-yl)-1,3,5-triazine-2,4-diamine\n1,3,5-triazine-2,4-diamine,6-methoxy-n-methyl-n'-(1-methylethyl)-(9ci)\n",null,null,1]
[3319,"HEXANEDIOIC ACID, 3-METHYL-; OR 3-methyladipic a","3058-01-3",null,"CC(CCC(=O)O)CC(=O)O",null,null,1,0,3,"Search at least two confirmations",null,"Illegal Name",null,2]
[3320,"L-Leucine, N-methyl-","3060-46-6","CNC(CC(C)C)C(=O)O",{"$nulls":3},1,0,3,"Search at least one confirmation",null,"Stereochemistry removed","Checked on PubChem",1]
[3329,"1-Butanone, 1-(4-fluorophenyl)-4-(4-hydroxy-4-ph","3109-12-4",null,"O=C(CCCN1CCC(CC1)(O)c2ccccc2)c3ccc(cc3)F",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[3333,"benzamide,n-(3,4-dichlorophenyl)-n-[(dimethylam","3134-12-1",null,"CN(C)C(=O)N(C(=O)c1ccccc1)c2cc(c(cc2)Cl)Cl",null,"CN(C)C(=O)N(C(=O)c1ccccc1)c2cc(c(cc2)Cl)Cl",2,0,2,"Verify Name","phenobenzuron\nphenobenzoron\nbenzuride\nbenzomarc\nbenzuron\ncaswellno.081de\nphenobenzuron[iso:bsi]\nunii-274nv2a34e\n3134-12-1\n274nv2a34e\neinecs221-529-5\nn-(3,4-dichlorophenyl)-n-(dimethylcarbamoyl)benzamide\nepapesticidechemicalcode281500\nbrn2160487\npp-65-25\n1-benzoyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea\nn-benzyl-n-(dichloro-3,4-phenyl)-n',n'-dimethylurea\nn-(3,4-dichlorophenyl)-n-((dimethylamino)carbonyl)benzamide\nbenzamide,n-(3,4-dichlorophenyl)-n-((dimethylamino)carbonyl)-\nbenzamide,n-(3,4-dichlorophenyl)-n-[(dimethylamino)carbonyl]-\nac1l2c1i\nschembl135665\ndtxsid2042270\nchebi:82212\nls-26354\nc19090\nurea,1-benzoyl-1-(3,4-dichlorophenyl)-3,3-dimethyl-\nurea,1-benzoyl-1-(3,4-dichlorophenyl)-3,3-dimethyl-(8ci)\n",null,null,0]
[3335,"Glycine, N-(N-leucylglycyl)-","3146-41-6","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,1]
[3337,"2-cltetramethylmelamine","3146-66-5",null,"C=CCC1(C(NC(NC1=O)=O)=O)CCCC",null,"C=CCC1(C(NC(NC1=O)=O)=O)CCCC",2,0,2,"Verify Name","5-allyl-5-butylbarbituricacid\nn-butylallylbarbitone\nidobutal\nallylbutylbarbituricacid\n3146-66-5\nunii-41nvk1648q\nbarbituricacid,5-allyl-5-butyl-\nn-butylallylbarbituricacid\n5-butyl-5-allylbarbituricacid\n5-allyl-5-n-butylbarbituricacid\n41nvk1648q\n2,4,6(1h,3h,5h)-pyrimidinetrione,5-butyl-5-(2-propenyl)-\n2,4,6(1h,3h,5h)-pyrimidinetrione,5-butyl-5-(2-propen-1-yl)-\n5-butyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione\neinecs221-562-5\nvinylmethylbutylbarbitursaure\nac1l2k86\nchembl467779\nschembl3504596\nctk4g7184\ndtxsid90185370\nmolport-019-770-637\nrrwvwlguqplomy-uhfffaoysa-n\nnsc27524\nzinc5647333\nnsc-27524\nbarbituricacid,5-butyl-5-(2-propenyl)\n5-allyl-5-butyl-2,4,6(1h,3h,5h)-pyrimidinetrione\n2,6(1h,3h,5h)-pyrimidinetrione,5-butyl-5-(2-propenyl)-\n2,4,6(1h,3h,5h)-pyrimidinetrione,5-butyl-5-(2-propen-1-yl)-\n",null,null,0]
[3340,"benzenebutanoicacid,4-methoxy-�-oxo-","3153-44-4",null,"COc1ccc(cc1)C(=O)CCC(=O)O",null,"COc1ccc(cc1)C(=O)CCC(=O)O",2,0,2,"Verify Name","3-(4-methoxybenzoyl)propionicacid\n3153-44-4\n4-(4-methoxyphenyl)-4-oxobutanoicacid\n4-(4-methoxyphenyl)-4-oxobutyricacid\n3-(4-methoxybenzoyl)propanoicacid\nai3-07210\nomtdibzsuznvjk-uhfffaoysa-n\nbeta-(p-methoxybenzoyl)propionicacid\n4-(4-methoxyphenyl)-4-oxo-butyricacid\n4-(4-methoxyphenyl)-4-oxo-butanoicacid\nbenzenebutanoicacid,4-methoxy-gamma-oxo-\nmaybridge1_002003\neinecs221-593-4\nnsc12472\nac1l2rag\nacmc-1cl1u\nac1q5vp9\noprea1_054996\nksc496c7p\nmls000120774\nschembl503582\nac1q49p7\nac1q49p8\nchembl1501712\nctk3j6177\nhms547d01\nks-00000gbc\ndtxsid50185432\nmolport-000-141-968\nhms2258f03\nzinc133166\nnsc12472\n3-(4-methoxylbenzoyl)propionicacid\n3-(p-methoxybenzoyl)-propionicacid\nanw-27144\nccg-50522\nnsc-12472\nsbb057618\nstk202166\nakos000148572\n4-methoxy-gamma-oxobenzenebutanoicacid\nab00273\ncm-1339\nmcule-3381867306\nne34357\nrp04672\nrtr-013393\nvz26023\n.beta.-(p-methoxybenzoyl)propionicacid\nbenzenebutanoicacid,4-methoxy-g-oxo-\n4-oxo-4-(4-methoxyphenyl)butanoicacid\naj-12170\nak-49675\nas-17362\nkb-69865\nsmr000097616\nsy031613\nu727\n3-(4-methoxybenzoyl)propionicacid,97%\n3-(p-methoxybenzoyl)propionicacid\n4-(4-methoxy-phenyl)-4-oxo-butyricacid\n4-(4-methoxyphenyl)-4-oxobutanoicacid#\nab0019429\nb-(4-methoxybenzoyl)-propionicacid\ndb-048063\ndb-050653\ntr-013393\nbb0218541\nft-0613683\nm1383\nst24028774\nst50307965\nbenzenebutanoicacid,4-methoxy-.gamma.-oxo-\nen300-60118\n4-methoxy-gamma-oxo-benzenebutanoicacid\ni01-3605\nj-018454\nj-513534\nsr-01000623509-2\nz1259041057\ninchi=1/c11h12o4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-5h,6-7h2,1h3,(h,13,14\n",null,null,1]
[3344,"Ethenesulfonamide, N-phenyl-","3192-10-7","C=CS(=O)(=O)Nc1ccccc1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3346,"Propanoic acid, 2-hydroxy-2-methyl-, propyl este","3196-84-7",{"$nulls":3},"CCCOC(=O)C(C)(C)O",1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3349,"Benzoic acid, 2,5-dihydroxy-4-methyl-","3209-15-2","Cc1c(cc(c(c1)O)C(=O)O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3356,"tetrapropylthiopyrophosphorate","3244-90-4","CCCOP(=O)(OCCC)OP(=S)(OCCC)OCCC","CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC",null,"CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC",2,1,1,"Verify Name","aspon\n3244-90-4\nstaufferasp-51\npropylthiopyrophosphate\ntetra-n-propyldithiopyrophosphate\nasp51\ntetra-n-propyldithionopyrophosphate\ntetrapropyldithiopyrophosphate\ncaswellno.845a\ntetrapropyldithiodifosfat\nent16,894\no,o,o,o-tetrapropyldithiopyrophosphate\na42\ntetrapropylthiodiphosphate\nnsc2550\nunii-pc55il137p\ne8573\nthiopyrophosphoricacid,tetrapropylester\nhsdb1776\ntetrapropyldithiodifosfat[czech]\na42(van)\neinecs221-817-0\nbis(o,o-di(n-propyl))phosphorothionicanhydride\nepapesticidechemicalcode079101\nbrn1715467\nai3-16894\no,o,o',o'-tetrapropylpyrophosphorothioate\no,o,o,o-tetra-n-propyldithiopyrophosphate\npc55il137p\nthiodiphosphoricacid([(ho)2p(s)]2o),tetrapropylester\npropylthiopyrophosphate(((pro)2p(s))2o)\nbis-o,o-di-n-propylphosphorothionicanhydride\nthiodiphosphoricacidtetrapropylester\nthiopyrophosphoricacid(((ho)2ps)2o),tetrapropylester\nthiopyrophosphoricacid([(ho)2ps]2o),tetrapropylester\nthiodiphosphoricacid(((ho)2p(s))2o),tetrapropylester\npropylthiopyrophosphate([(pro)2p(s)]2o)\nbis[o,o-di(n-propyl)]phosphorothionicanhydride\ndipropoxyphosphinothioyloxy-dipropoxy-sulfanylidene-?^{5}-phosphane\nthiodiphosphoricacidtetrapropylester(9ci)\ntetrapropylthiopyrophosphate(8ci)\nac1l2cfi\ntetrapropylthiopyrophosphate\n4-01-00-01432(beilsteinhandbookreference)\nschembl499769\ndtxsid6032510\nctk8f7844\nnsc2550\niidfeidmiksjsv-uhfffaoysa-n\nnsc-2550\nwln:3ops&o3&ops&o3&o3\no,o,o-tetrapropyldithiopyrophosphate\no,o,o,o-tetrapropyldithiodiphosphate#\nls-153376\nft-0763018\no,o,o,o-tetrapropyldithiopyrophosphate\nc-53606\ndipropoxyphosphinothioyloxy-dipropoxy-sulfanylidene-\nj-018737\ndipropoxyphosphinothioyloxy-dipropoxy-sulfanylidene-lambda5-phosp\nthiodiphosphoricacid(((ho)2p(s))2o),tetrapropylester(9ci)\nthiopyrophosphoricacid(((ho)2ps)2o),tetrapropylester(8ci)\n",null,null,0]
[3365,"2-Naphthalenecarboxylic acid, 1,4-dihydro-","3299-82-9","O=C(O)C=1Cc2c(CC1)cccc2",{"$nulls":3},1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[3367,"2-Oxazolidinone, 3-[[3-(5-nitro-2-furyl)allylide","3318-78-3",null,"O=C1N(CCO1)N=CC=Cc2oc(cc2)[N+](=O)[O-]",null,null,1,0,3,"Search at least one confirmation",null,"Stereochemistry removed","Checked on ChemID",1]
[3376,"Tyrosine, 3,5-dichloro-","3387-87-9","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,1]
[3386,"D-MANNOSE","3458-28-4","O=CC(O)C(O)C(O)C(O)CO","OCC1C(C(C(C(O1)O)O)O)O","OCC1C(C(C(C(O1)O)O)O)O","OCC1C(C(C(C(O1)O)O)O)O",3,1,0,"Verify Name",null,"Stereochemistry removed",null,1]
[3392,"butanedioicacid,mono[2-[(dichloroacetyl)amino]","3544-94-3",null,"O=C(O)CCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-]",null,"O=C(O)CCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-]",2,0,2,"Verify Name","chloramphenicolsuccinate\nchloramphenicolhemisuccinate\nchronicinfoam\nlevomycetinsuccinate\nchloramphenicolmonosuccinate\n3544-94-3\nunii-zcx619u9a1\nzcx619u9a1\nparaxinsuccinate\nkemicetinesuccinate\ncpsa\nchloromycetinsuccinate\nlevomycetinhemisuccinate\nchloramphenicolacidsuccinate\nchloramphenicolhydrogensuccinate\neinecs222-590-0\nsuccinatodecloranfenicol[spanish]\nbrn3228488\n4-[(2r,3r)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxo-butanoicacid\n4-[(2r,3r)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoicacid\nncgc00094619-04\nsuccinatodecloranfenicol\nspectrum_000122\nac1lcv8g\nspectrum2_000083\nspectrum3_000337\nspectrum4_000274\nspectrum5_000679\nchloramphenicolicn(tn)\nbspbio_001973\nkbiogr_000768\nkbioss_000582\n4-13-00-02756(beilsteinhandbookreference)\ndivk1c_000689\nspectrum1500173\nspbio_000006\nchebi:3606\nchembl1201281\ndtxsid8048155\nschembl12495640\nhms502c11\nkbio1_000689\nkbio2_000582\nkbio2_003150\nkbio2_005718\nkbio3_001193\nlircdovjwugtmw-zwnobzjwsa-n\nninds_000689\nhms1920m17\nhms2091c06\npharmakon1600-01500173\n(2-((dichloroacetyl)amino)-3-hydroxy-3-(4-nitrophenyl)propyl)hydrogen(r-(r*,r*))-succinate\nsuccinicacid,alpha-monoesterwithd-threo-(-)-2,2-dichloro-n-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)acetamide\nzinc1532336\nccg-40017\nnsc756676\ndb07565\nnsc-756676\nidi1_000689\nncgc00094619-03\n982-57-0(succinatehydrochloridesalt)\nsbi-0051278.p003\nls-187088\nc11727\nd07675\n4-[(2r,3r)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoicacid\n53906-65-3\nbutanedioicacid,1-[(2r,3r)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl]ester\nsuccinicacidmono-[2-(2,2-dichloro-acetylamino)-3-hydroxy-3-(4-nitro-phenyl)-propyl]ester\n","Stereochemistry removed",null,0]
[3396,"n-mecarbamate,3-me-4-mesphenyl","3566-00-5",null,"CNC(=O)Oc1cc(c(cc1)SC)C",null,"CNC(=O)Oc1cc(c(cc1)SC)C",2,0,2,"Verify Name","3-methyl-4-(methylthio)phenylmethylcarbamate\nbayer32651\nbay32651\nbays2758\ndrc1325\nent25,777\n4-(methylthio)-m-tolylmethylcarbamate\n3566-00-5\nsk79\n3-methyl-4-methylthiophenyln-methylcarbamate\nunii-5raj4i7clf\n5raj4i7clf\nnsc107927\nphenol,3-methyl-4-(methylthio)-,methylcarbamate\nbrn1970900\nai3-25777\n3-methyl-4-(methylthio)phenolmethylcarbamate\ncarbamicacid,methyl-,4-methylthio-m-tolylester\ncarbamicacid,methyl-,3-methyl-4-(methylthio)phenylester\nac1l2dgx\nac1q40qn\nwln:1srb1dovm1\nschembl9391203\nchembl2288487\ndtxsid5041485\nzinc398399\nbay-32651\nnsc107927\nakos024337014\nmcule-2778504383\nnsc-107927\nls-50272\ncarbamicacid,4-(methylthio)-m-tolylester\n(3-methyl-4-methylsulfanylphenyl)n-methylcarbamate\n3-methyl-4-(methylsulfanyl)phenyln-methylcarbamate\nphenol,3-methyl-4-(methylthio)-,methylcarbamate(9ci)\n",null,null,1]
[3398,"sulfanilamide,n1-(5-isobutyl-1,3,4-thiadiazol-2","3571-94-6",null,"CC(C)Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",null,"CC(C)Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",2,0,2,"Verify Name","3571-94-6\nnsc509005\nac1l6vwq\nschembl11891684\nctk4h5245\ndtxsid70325494\nakos002666438\nnsc-509005\n4-amino-n-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenes\n4-amino-n-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide\nbenzenesulfonamide,4-amino-n-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-\n4-amino-n-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzene-1-sulfonamide\n",null,null,0]
[3399,"2-amino-3,5-dibromo-N-cyclohexyl-N-methylbenzene","3572-43-8",null,"CN(Cc1c(c(cc(c1)Br)Br)N)C2CCCCC2",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[3411,"Spiro[benzofuran-2(3H), 1'-[2]cyclohexene]-3,4'-","3680-32-8",null,"COC=1C2(C(CC(C1)=O)C)C(c3c(O2)cc(OC)cc3OC)=O",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[3424,"parathion-amino","3735-01-1",null,"CCOP(=S)(OCC)Oc1ccc(cc1)N",null,"CCOP(=S)(OCC)Oc1ccc(cc1)N",2,0,2,"Verify Name","aminoparathion\np-aminoparathion\ne605reduced\namino-parathion\no-(4-aminophenyl)o,o-diethylphosphorothioate\n3735-01-1\nphosphorothioicacid,o-(4-aminophenyl)o,o-diethylester\no,o-diethylo-(4-aminophenyl)phosphorothioate\nbrn5543468\nai3-10614\n4-diethoxyphosphinothioyloxyaniline\ne-605reduced\nac1q7flu\nac1l18qy\nctk1c3995\ndtxsid00190793\nxizotxgjxstqdi-uhfffaoysa-n\nakos030525235\nls-108361\nc06605\no-(4-aminophenyl)o,o-diethylthiophosphate#\n4-aminophenylethylethoxy(sulfanylidene)phosphonite\nphosphorothioicacid,o-(p-aminophenyl)o,o-diethylester\n",null,null,1]
[3431,"n-methylo-sec-butylphenylcarbamate","3766-81-2",null,"CCC(C)c1c(cccc1)OC(=O)NC",null,"CCC(C)c1c(cccc1)OC(=O)NC",2,0,2,"Verify Name","fenobucarb\nbpmc\n3766-81-2\n2-sec-butylphenyln-methylcarbamate\nbaycarb\nbassa\nfenobcarb\nbarizon\ncarvil\nhopcin\nosbac\n2-sec-butylphenylmethylcarbamate\n2-(1-methylpropyl)phenylmethylcarbamate\nbayer41367c\nbayer41637\ngeocarb50ec\n2-(sec-butyl)phenylmethylcarbamate\nmethylcarbamicacido-sec-butylphenylester\nphenol,2-(1-methylpropyl)-,methylcarbamate\nfenobucarb[bsi:iso]\no-sec-butylphenylmethylcarbamate\nbay41637\ncarbamicacid,methyl-,o-sec-butylphenylester\neinecs223-188-8\nbrn2052332\n(2-butan-2-ylphenyl)n-methylcarbamate\n2-butylphenylmethylcarbamate\nai3-27212\nchebi:34304\n2-sek.butylfenylesterkyselinymethylkarbaminove\ndirfujhnvnobmy-uhfffaoysa-n\n2-sec-butylphenyl-n-methylcarbamate\n2-(butan-2-yl)phenylmethylcarbamate\nphenol,2-(1-methylpropyl)-,1-(n-methylcarbamate)\n2-sek.butylfenylesterkyselinymethylkarbaminove[czech]\nbaycarb(tm)\nac1l2efj\nschembl73674\nchembl226650\ndtxsid4058077\nctk8e4127\ndirfujhnvnobmy-uhfffaoysa-\nmolport-003-931-168\n2-(sec-butyl)phenylmethylcarbamate\n2-sec-butyl-phenylmethylcarbamate\n2-secbutylphenyln-methylcarbamate\nks-000010bm\n2-sec-butylphenylmethylcarbamate#\n2-sec.butylphenyln-methylcarbamate\nakos015960925\nacm3766812\nfenobucarb10microg/mlincyclohexane\ncc-28384\nls-50077\nax8130229\ntr-015292\nft-0603649\nfenobucarb,pestanal(r),analyticalstandard\nc14425\n766f812\nc-10461\n12773-35-2\n145846-59-9\ninchi=1/c12h17no2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9h,4h2,1-3h3,(h,13,14)\n",null,null,1]
[3455,"5-benzoyl-4-hydroxy-2-methoxy-benzenesulfonicac","4065-45-6",null,"COc1c(cc(c(c1)O)C(=O)c2ccccc2)S(=O)(=O)O",null,"COc1c(cc(c(c1)O)C(=O)c2ccccc2)S(=O)(=O)O",2,0,2,"Verify Name","sulisobenzone\n4065-45-6\nbenzophenone-4\n5-benzoyl-4-hydroxy-2-methoxybenzenesulfonicacid\n2-hydroxy-4-methoxybenzophenone-5-sulfonicacid\nsungard\nbenzophenone4\nuval\nsulisobenzona\nsulisobenzonum\nuvinul\nseesorb101s\nsyntase230\nuvinulms40\nbenzenesulfonicacid,5-benzoyl-4-hydroxy-2-methoxy-\nspectra-sorbuv284\nuvinucms40\n2-hydroxy-4-methoxy-5-sulfobenzophenone\nms40\nsulisobenzonum[inn-latin]\nsulisobenzona[inn-spanish]\nunii-1w6l629b4k\nhsdb7422\nuvinulms-40substanz\neinecs223-772-2\nnsc60548\nbrn2889165\ncxvgedcstkkodg-uhfffaoysa-n\n1-phenol-4-sulfonicacid,2-benzoyl-5-methoxy-\n1w6l629b4k\n5-benzoyl-4-hydroxy-2-methoxybenzenesulfonicacid\nnsc60584\nuvalsodiumsalt\nncgc00159404-02\nncgc00159404-04\nak110733\n5-benzoyl-4-hydroxy-2-methoxybenzolsulfonsaeure\ndsstox_cid_22436\ndsstox_rid_80023\ndsstox_gsid_42436\n5-benzoyl-4-hydroxy-2-methoxy-benzenesulfonicacid\n4-hydroxy-2-methoxy-5-(phenylcarbonyl)benzenesulfonicacid\nuvinulms40sodiumsalt\ncyasorbuv284sodiumsalt\ncas-4065-45-6\nnsc60584\nnsc-60584\nnsc654266\nsulisobenzone[usan:inn]\nsulisobenzone[usan:usp:inn]\nc14h12o6s\n5-benzoyl-4-hydroxy-2-methoxybenzenesulfonicacidammoniate\nsungard(tn)\nuvinulms-40\nuval(*sodiumsalt*)\nac1l2fan\nac1q6whv\nuvinulms40\ncbmicro_016354\nsulisobenzone(usp/inn)\nec223-772-2\nspectra-sorbu.v.284\n3-benzoyl-4-hydroxy-6-methoxybenzenesulfonicacid\nschembl16330\n2-hydroxy-4-methoxy-5-sulfonylbenzophenone(bp-4)\nmls004734662\nac1q48w8\ncyasorbuv284(salt/mix)\n1-phenol-4-sulfonicacid,2-benzoyl-5-methoxy-(6ci)\nchembl2059073\ndtxsid2042436\nks-00000iiz\nchebi:135312\nmolport-001-760-064\nsulisobenzone,analyticalstandard\nuvinulms40(*sodiumsalt*)\nalbb-025816\ncyasorbuv284(*sodiumsalt*)\nhy-b1162\nzinc1690324\nzx-an024329\nzx-at029392\ntox21_111639\ntox21_202332\ntox21_303469\nmfcd00977409\ns4652\nsbb002961\nakos015895600\ntox21_111639_1\ncs-4610\ndb11185\nmcule-1313711100\nrl03566\nsulisobenzone(usan)(*sodiumsalt*)\n6628-37-1(mono-hydrochloridesalt)\nncgc00159404-03\nncgc00159404-05\nncgc00257488-01\nncgc00259881-01\nac-19869\naj-30050\nan-20094\nan-21907\nas-12605\nls-31774\nsc-15470\nsmr001262265\nst055633\n5-benzoyl-4-hydroxy-2-methoxy-besylicacid\nab0012209\nax8017071\nkb-230841\nft-0612547\nst24029330\n2-benzoyl-5-methoxy-1-phenol-4-sulphonicacid\n2-benzoyl-5-methoxy-1-phenol-4-sulfonicacid\nd05964\nk-8670\nj-509633\n1-phenol-4-sulfonicacid,2-benzoyl-5-methoxy-,sodiumsalt\n4-hydroxy-2-methoxy-5-(oxo-phenylmethyl)benzenesulfonicacid\nbenzenesulfonicacid,5-benzoyl-4-hydroxy-2-methoxy-,sodiumsalt\nsulisobenzone,unitedstatespharmacopeia(usp)referencestandard\n5-benzoyl-4-hydroxy-2-methoxybenzenesulfonicacid,>=97.0%(hplc)\n62121-63-5\n",null,null,1]
[3457,"n-(3-chlorallyl)hexaminiumchloride","4080-31-3",null,"ClC=CC[N+]12CN3CN(CN(C1)C3)C2",null,"ClC=CC[N+]12CN3CN(CN(C1)C3)C2",2,0,2,"Verify Name","quaternium-15\n4080-31-3\n1-(3-chloroallyl)-3,5,7-triaza-1-azoniaadamantanechloride\nunii-2w5b4vj152\nquaternium15\nn-(3-chloroallyl)hexaminiumchloride\nmethenamine3-chloroallylochloride\ndowicideq\n2w5b4vj152\ndowicil75\ncinartc200\ndowicil100\ncaswellno.181\ndowco184\nhexamethylenetetraminechloroallylchloride\nccris1398\nhsdb6820\neinecs223-805-0\nepapesticidechemicalcode017901\nnsc172971\nxd-1840\n3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane,1-(3-chloro-2-propenyl)-,chloride\nquaternim-15trans-form\nquaternium-15trans-form\nchebi:59607\n3,5,7-triaza-1-azoniaadamantane,1-(3-chloroallyl)-,chloride\n3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane,1-(3-chloro-2-propenyl)-,chloride\ndowicil75\n1-[(2e)-3-chloroprop-2-en-1-yl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decanechloride\ndtxsid5024760\n1-(3-chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decanechloride\nmolport-035-944-140\nukhvlwkbnnsrrr-tyybgvccsa-m\n3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane,1-(3-chloro-2-propen-1-yl)-,chloride(1:1)\nakos016009992\nn-(3-chloroallyl)hexaminiumchloride\n194805-30-6\nkb-213752\nunii-e40u03lem0componentukhvlwkbnnsrrr-tyybgvccsa-m\n1-(3-chloroallyl)-1,3,5,7-tetraazaadamantan-1-iumchloride\n1-[3-chloroprop-2-en-1-yl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1(3),(7)]decaniumchloride\n103638-29-5\n60789-82-4\n","Stereochemistry removed",null,1]
[3481,"2H-1,3-Oxazin-2-one, tetrahydro-3-[(5-nitrofurfu","4341-15-5",null,"O=C1N(CCCO1)N=Cc2oc(cc2)[N+](=O)[O-]",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,1]
[3488,"1h-pyrrole-2-carboxylicacid,4-ethyl-5-formyl-3","4391-87-1",null,"CCOC(=O)c1c(c(c([nH]1)C=O)CC)C",null,"CCOC(=O)c1c(c(c([nH]1)C=O)CC)C",2,0,2,"Verify Name","4391-87-1\nethyl4-ethyl-5-formyl-3-methyl-1h-pyrrole-2-carboxylate\nst4052938\n4-ethyl-5-formyl-3-methyl-1h-pyrrole-2-carboxylicacidethylester\nnsc400239\nac1l7z15\nschembl12529449\nctk6f4648\nzinc83742\ndtxsid30322025\nmolport-000-155-255\nstk793002\nakos001735213\nmcule-8097252384\nnsc-400239\nab01315530-02\nsr-01000090440\nsr-01000090440-1\nethyl4-ethyl-5-formyl-3-methylpyrrole-2-carboxylate\na2191/0092172\nethyl4-ethyl-5-formyl-3-meth-yl-1h-pyrrole-2-carboxylate\n2-formyl-3-ethyl-4-methyl-1h-pyrrole-5-carboxylicacidethylester\n4-ethyl-5-formyl-3-methyl-pyrrole-2-carboxylicacidethylester\ninchi=1/c11h15no3/c1-4-8-7(3)10(11(14)15-5-2)12-9(8)6-13/h6,12h,4-5h2,1-3h\n",null,null,1]
[3499,"morpholine,4,4',4''-phosphinylidynetris-","4441-12-7",null,"O=P(N1CCOCC1)(N2CCOCC2)N3CCOCC3",null,"O=P(N1CCOCC1)(N2CCOCC2)N3CCOCC3",2,0,2,"Verify Name","trimorpholinophosphineoxide\n4441-12-7\n4,4',4''-phosphoryltrimorpholine\nphosphoricacidtrimorpholide\ntri(4-morpholino)phosphineoxide\ntri(4-morpholinyl)phosphineoxide\ntmpo;tris-(morpholino)-phosphineoxide\nak-49804\n4-[bis(morpholin-4-yl)phosphoroso]morpholine\nnsc41250\nphosphorictrimorpholide\n5-n-propylbenzoicacid\nac1l2uny\nac1q6rhb\nacmc-2097fl\nksc493m7l\nschembl1276983\nc12h24n3o4p\nctk3j3675\ndtxsid00196159\ntrimorpholin-4-ylphosphino-1-one\nmolport-001-767-576\ntris-(morpholino)-phosphineoxide\nwxmqhpkqcpcdqo-uhfffaoysa-n\nphosphoricacidtrimorpholide\n4-(dimorpholinophosphoryl)morpholine\nbcp22584\nks-00000fa0\nzx-at021547\neinecs224-662-7\nanw-13903\nnsc-41250\nrw2185\nstk664711\nzinc33356473\n4-dimorpholin-4-ylphosphorylmorpholine\nakos001750430\ncs-w002230\nds-2096\nmcule-8274668563\nrl03681\n4,4',4''-phosphinylidynetrismorpholine\nkb-81298\nsy019073\ntrimorpholinophosphineoxide,99%(hplc)\nai3-61409\nrt-001634\nst2414032\nst4120192\nft-0635298\nmorpholine,4,4,'4''-phosphinylidynetris-\nmorpholine,4-[di(4-morpholinyl)phosphinyl]-\nm-1253\nc-50227\ni14-9629\nj-513958\na3866/0164254\n",null,null,1]
[3503,"benzenesulfonamide,4-amino-n-(4,5-dimethyl-2-py","4462-43-5",null,"Cc1c(nc(nc1)NS(=O)(=O)c2ccc(cc2)N)C",null,"Cc1c(nc(nc1)NS(=O)(=O)c2ccc(cc2)N)C",2,0,2,"Verify Name","4-amino-n-(4,5-dimethylpyrimidin-2-yl)benzenesulfonamide\n4462-43-5\nnsc27262\nac1l5lej\nac1q6vz0\noprea1_599361\noprea1_730351\nschembl6557184\nctk1d6800\ndtxsid30282675\nnsc-27262\nakos030548392\nn-(4,5-dimethylpyrimidine-2-yl)-4-aminobenzenesulfonamide\n",null,null,0]
[3510,"3(2h)-pyridazinone,4,5-dihydro-6-methyl-2-pheny","4578-58-9",null,"CC=1CCC(N(N1)c2ccccc2)=O",null,"CC=1CCC(N(N1)c2ccccc2)=O",2,0,2,"Verify Name","4578-58-9\n6-methyl-2-phenyl-4,5-dihydropyridazin-3(2h)-one\n6-methyl-2-phenyl-4,5-dihydropyridazin-3-one\n4,5-dihydro-6-methyl-2-phenylpyridazin-3(2h)-one\nnsc634580\n6-methyl-2-phenyl-4,5-dihydro-3(2h)-pyridazinone\nnsc50989\neinecs224-962-8\nac1l2uzr\nac1q2pin\nmaybridge1_001393\nchembl27295\nctk1d7621\nhms545h07\nkqvxojqoqrtuda-uhfffaoysa-\nzinc91471\ndtxsid40196618\nkqvxojqoqrtuda-uhfffaoysa-n\nmolport-001-835-027\nlevulinicacidphenylhydrazonelactam\nnsc-50989\nakos024259608\nacm4578589\nfch1112069\nmcule-4809473491\nnsc-634580\naj-10860\nst095859\n6-methyl-2-phenyl-2,4,5-trihydropyridazin-3-one\nag-690/03072057\n3(2h)-pyridazinone,4,5-dihydro-6-methyl-2-phenyl-\n6-methyl-2-phenyl-2,3,4,5-tetrahydropyridazin-3-one\n6-methyl-2-phenyl-4,5-dihydro-3(2h)-pyridazinone#\nn-2-phenyl-6-methyl-2,3,4,5-tetrahydro-3-pyridazinone\n1-phenyl-3-methyl-6-oxo-1,4,5,6-tetra-hydro-pyridazin\n4,5-dihydro-6-methyl-2-phenyl-3(2h)-pyridazinone\ninchi=1/c11h12n2o/c1-9-7-8-11(14)13(12-9)10-5-3-2-4-6-10/h2-6h,7-8h2,1h3\n",null,null,1]
[3517,"2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydro","4636-40-2",{"$nulls":3},"O=c1c(c(cc(cc1)Br)Br)O",1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3526,"1,3-propanediamine, N-phenyl-","4724-01-0","NCCCNc1ccccc1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[3531,"O-HYDROXY PHENYLACETAMIDE","4746-61-6",null,"CC(=O)Nc1c(cccc1)O",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[3532,"1(3H)-ISOBENZOFURANONE,3,3-DIETHYL","4770-31-4",{"$nulls":3},"CCC1(c2c(C(O1)=O)cccc2)CC",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[3543,"2H-1-Benzopyran-4-carboxylic acid, 2-oxo-, ethyl","4825-95-0",{"$nulls":3},"CCOC(=O)c1c2c(oc(c1)=O)cccc2",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[3544,"Coumarin, 4-(diethylcarbamoyl)-","4825-96-1","CCN(CC)C(=O)c1c2c(oc(c1)=O)cccc2",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[3545,"benzenepropanoicacid,.alpha.-oxo-.beta.-phenyl","4834-67-7",null,"O=C(O)C(=O)C(c1ccccc1)c2ccccc2",null,"O=C(O)C(=O)C(c1ccccc1)c2ccccc2",2,0,2,"Verify Name","2-oxo-3,3-diphenylpropanoicacid\n4834-67-7\nnsc16295\nac1l5ejp\nac1q5bwz\nschembl11493122\nctk4j0768\ndtxsid60280301\nzinc1733983\nnsc-16295\nbenzenepropanoicacid,a-oxo-b-phenyl-\n",null,null,1]
[3557,"benzoicacid,2-(acetyloxy)-,4-(acetylamino)phe","5003-48-5",null,"CC(=O)Nc1ccc(cc1)OC(=O)c2c(cccc2)OC(C)=O",null,"CC(=O)Nc1ccc(cc1)OC(=O)c2c(cccc2)OC(C)=O",2,0,2,"Verify Name","benorilate\n5003-48-5\nbenorylate\n4-acetamidophenyl2-acetoxybenzoate\nbenoral\nbenortan\nsalipran\nfenasparate\nfenasprate\naspirinacetaminophenester\nbenorilato\nbenorilato[spanish]\np-acetamidophenylacetylsalicylate\nbenorilatum[inn-latin]\nbenorilato[inn-spanish]\nunii-w1qx9dv96g\np-n-acetylaminophenylacetylsalicylate\nto125\nwin11450\n2-acetoxy-4'-(acetamino)phenylbenzoate\n4'-(acetamido)phenyl-2-acetoxybenzoate\nccris1739\n4-acetamidophenylsalicylateacetate\nbenzoicacid,2-(acetyloxy)-,4-(acetylamino)phenylester\neinecs225-674-5\nbrn2166628\nw1qx9dv96g\n2-(acetyloxy)benzoicacid4-(acetylamino)phenylester\nc17h15no5\n(4-acetamidophenyl)2-acetyloxybenzoate\nsalicylicacid,acetate,esterwith4'-hydroxyacetanilide\nncgc00167468-01\nak115730\n4-(acetylamino)phenyl2-(acetyloxy)benzoate\ndsstox_cid_2649\ndsstox_rid_76674\ndsstox_gsid_22649\nbenorilatum\nquinexin\ncas-5003-48-5\nbenorilate[inn:dcf]\nbenorilate[inn:ban:dcf]\nbenorilate,(s)\nbenorilate(inn)\nac1l2hmr\nd08gjo\nschembl25167\n2-(acetyloxy)-benzoicacid4-(acetylamino)phenylester\nchembl162036\nzinc1003\ndtxsid5022649\nks-00000foo\nchebi:135340\nfejklnwaoxssnr-uhfffaoysa-n\nmolport-006-116-584\n4-acetamidophenyl2-acetoxybenzoate\nbcpp000346\nbcp13353\ntox21_112472\nwin-11450\nakos016010035\ntox21_112472_1\napi0000421\nks-5206\nrp06911\nncgc00167468-02\naj-07948\nas-13290\nh819\nbcp0726000190\nax8115336\nls-144212\nst2405499\n4ch-017595\nft-0740917\n4-(acetylamino)phenyl2-(acetyloxy)benzoate#\na18816\nd07291\nsr-01000944978\nj-514276\nsr-01000944978-1\nbenzoicacid,2-(acetyloxy)-,4-(acetylamino)phenylester(9ci)\n",null,null,1]
[3559,"Acetic acid, 2,2'-[1,3-propanediylbis(thio)]bis-","5065-18-9","O=C(O)CSCCCSCC(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[3565,"ditalimfos(laptran)","5131-24-8",null,"CCOP(=S)(OCC)N1C(c2c(C1=O)cccc2)=O",null,"CCOP(=S)(OCC)N1C(c2c(C1=O)cccc2)=O",2,0,2,"Verify Name","ditalimfos\nmillie\nplondrel\nlaptran\nditalimphos\nfrutogard\no,o-diethylphthalimidophosphonothioate\northo199\n5131-24-8\nditalimfos[ansi]\ndowco-199\nunii-80dyl6i8ww\no,o-diethylphthalimidothiophosphate\nre199\nsf101\no,o-diethylphthalimidophosphonothionate\no199\neinecs225-875-8\nepapesticidechemicalcode106301\no,o-diaethyl-n-phtalimido-thiophosphat\nbrn1542822\no,o-diethylphthalimido-phosphonothioate\n80dyl6i8ww\nphosphonothioicacid,phthalimido-,o,o-diethylester\nphosphonothioicacid,(1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)-,o,o-diethylester\nm-2452\nmtbzighngstdjv-uhfffaoysa-n\no,o-diaethyl-n-phtalimido-thiophosphat[german]\no,o-diethyl(1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)phosphonothioate\n2-diethoxyphosphinothioylisoindole-1,3-dione\n(1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)phosphonothioicacido,o-diethylester\nditalimfos[ansi:iso]\nditalimfossolution\ndowco199\nac1l2huh\nd0re8r\nschembl22128\n5-21-11-00141(beilsteinhandbookreference)\ndtxsid3041902\nchebi:82067\ndiethylphthalimidophosphonothioate\nphosphonothioicacid,phthalimido-,o,o-diethylester(8ci)\nsf-101\nakos027326868\nacm5131248\nfch3751545\nditalimfos10microg/mlincyclohexane\nphosphonothioicacid,(1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)-,o,o-diethylester(9ci)\nphthalimide,n-(diethoxyphosphinothioyl)-\nls-107275\nditalimfos,pestanal(r),analyticalstandard\nc18925\nm2452\no,o-diethyl1,3-dioxo-1,3-dihydro-2h-isoindol-2-ylphosphonothioate#\nditalimfossolution,100mug/mlinacetonitrile,pestanal(r),analyticalstandard\n",null,null,1]
[3576,"Benzeneacetic acid, -[(sulfooxy)methyl]-, 8-meth","5226-98-2",null,"CN1C2CCC1CC(C2)OC(=O)C(COS(=O)(=O)O)c3ccccc3",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[3583,"d-gluconicacid,2,4:3,5-di-o-methylene-","5323-77-3",null,"O=C(O)C1C2C(OCO1)C(CO)OCO2",null,"O=C(O)C1C2C(OCO1)C(CO)OCO2",2,0,2,"Verify Name","8-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carboxylicacid\n5323-77-3\nnsc2812\nac1l58kl\nac1q5ux4\ndtxsid20277550\nbtgutybgumwgbv-uhfffaoysa-n\n2,4:3,5-dimethylene-idonicacid\nnsc-2812\n8-(hydroxymethyl)tetrahydro[1,3]dioxino[5,4-d][1,3]dioxine-4-carboxylicacid(non-preferredname)\n2,5-di-o-methylene-d-gluconicacid\n",null,null,1]
[3585,"d-glycero-d-gulo-heptopyranoside,phenyl,-","5329-55-5",null,"OCC(O)C1C(C(C(C(O1)Oc2ccccc2)O)O)O",null,"OCC(O)C1C(C(C(C(O1)Oc2ccccc2)O)O)O",2,0,2,"Verify Name","phenylheptopyranoside\nmls002637627\nphenyl.beta.-d-glycero-d-gulo-heptopyranoside\n5329-55-5\nnsc2568\n2-(1,2-dihydroxyethyl)-6-phenoxyoxane-3,4,5-triol\nac1l58eg\nac1q57jc\nchembl2133936\nctk8j0858\ndtxsid60277493\nhms3087f04\nnsc-2568\nnsc226856\nnsc-226856\nsmr001547154\n",null,null,1]
[3587,"phosphonicacid,3-(nitrophenyl)-","5337-19-9",null,"O=[N+]([O-])c1cc(ccc1)P(=O)(O)O",null,"O=[N+]([O-])c1cc(ccc1)P(=O)(O)O",2,0,2,"Verify Name","(3-nitrophenyl)phosphonicacid\n3-nitrophenylphosphonicacid\nm-nitrobenzenephosphonicacid\nphosphonicacid,(3-nitrophenyl)-\n5337-19-9\n(m-nitrophenyl)phosphonicacid\nphosphonicacid,(m-nitrophenyl)-\nphosphonicacid,p-(3-nitrophenyl)-\nnsc419\neinecs226-261-2\nbrn2727537\nal-398/04602027\nac1q1yol\nm-nitrophenylphosphonicacid\nac1l2x0p\n3-nitrobenzenephosphonicacid\nschembl917013\nnsc419\ndtxsid4063795\nnsc-419\n(3-nitro-phenyl)-phosphonicacid\nmolport-003-908-602\noxwxinkwkitcih-uhfffaoysa-n\nzinc1555516\n3-nitrobenzenesulfonicacid1-hydrate\nakos024331902\nfch1330516\nmcule-5477341193\nls-106690\n3-nitrobenzenesulfonicacidmonohydrate,95\n",null,null,1]
[3594,"1,1,4,4-Tetramethoxy-but-2-ene","5370-08-1","COC(C=CC(OC)OC)OC","COC(C=CC(OC)OC)OC",null,null,2,0,2,"Search at least one confirmation",null,"Stereochemistry removed",null,1]
[3606,"1h-purine-2,6-dione,8-ethyl-3,7-dihydro-1,3,7-t","5426-50-6",null,"CCc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",null,"CCc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",2,0,2,"Verify Name","5426-50-6\n8-ethyl-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione\n8-ethylcaffeine\nnsc14111\nac1l5dr2\nschembl515612\nac1q6l97\nctk1h2085\ndtxsid40279778\nnsc-14111\nzinc15863098\nakos030560074\n8-ethyl-1,3,7-trimethylpurine-2,6-dione\n8-ethyl-1,3,7-trimethyl-purine-2,6-dione\n8-ethyl-1,3,7-trimethyl-1h-purine-2,6(3h,7h)-dione\n",null,null,1]
[3610,"carbamothioicacid,s-[2-oxo-2-(phenylamino)ethy","5428-95-5",null,"NC(=O)SCC(=O)Nc1ccccc1",null,"NC(=O)SCC(=O)Nc1ccccc1",2,0,2,"Verify Name","usafuctl-1766\ncarbaminothioglycolicacidanilide\nacetanilide,(2-mercaptocarbamoyl)di-\nnsc13336\n5428-95-5\nbrn3053094\np,p'-bis(alpha-thiolcarbamylacetamido)biphenyl\ns-[2-oxo-2-(phenylamino)ethyl]thiocarbamate\nbiphenyl,p,p'-bis(mercaptocarbamoylacetamido)-\np,p'-bis(alpha-thiolcarbamylacetamido)biphenyl\nbiphenyl,p,p'-bis(alpha-thiolcarbamylacetamido)-\ncarbamothioicacid,s-(2-oxo-2-(phenylamino)ethyl)ester\ncarbamothioicacid,s-[2-oxo-2-(phenylamino)ethyl]ester\ns-(2-anilino-2-oxoethyl)carbamothioate\ns-(2-oxo-2-(phenylamino)ethyl)carbamothioate\ns-(2-oxo-2-(phenylamino)ethyl)thiocarbamate\np,p'-bis(.alpha.-thiolcarbamylacetamido)biphenyl\ns-[2-oxo-2-(phenylamino)ethyl]carbamothioate\nac1l5dgi\nac1q5ncu\nthiocarbamicacids-phenylcarbamoylmethylester\ndtxsid4063876\nschembl14242027\nctk8j1515\n2-carbamoylthio-n-phenylacetamide\ncarbamicacid,thio-,s-esterwith2-mercaptoacetanilide\nceinngqdmfztjk-uhfffaoysa-n\nmolport-000-663-350\nzinc114986\n.alpha.-(thiocarbamyl)acetanilide\nnsc13336\nnsc-13336\nstk088297\nakos000348311\nmcule-9240800584\nacetamide,n-phenyl-2-(carbamoylthio)-\nbas00342616\nls-10788\nst025612\ns-(2-anilino-2-oxoethyl)thiocarbamate#\nbiphenyl,p'-bis(mercaptocarbamoylacetamido)-\nbiphenyl,p'-bis(.alpha.-thiolcarbamylacetamido)-\ncarbamicacid,s-esterwith2-mercaptoacetanilide\nsr-01000488233\nsr-01000488233-1\ncarbamicacid,thio,s-esterwith2-mercaptoacetanilide\nf3048-0311\ncarbamicacid,thio,s-esterwith2-mercaptoacetanilide(8ci)\n",null,null,0]
[3611,"benzenesulfonamide,4-amino-n-(6-methyl-3-pyrida","5433-63-6",null,"Cc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",null,"Cc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",2,0,2,"Verify Name","4-amino-n-(6-methylpyridazin-3-yl)benzenesulfonamide\n5433-63-6\nnsc7417\nac1l5bax\nac1q6w2r\ndtxsid00278449\nnsc-7417\nakos022666254\n",null,null,0]
[3612,"butanedioicacid,(diphenylmethylene)-,1-ethyl","5438-22-2",null,"CCOC(=O)C(CC(=O)O)=C(c1ccccc1)c2ccccc2",null,"CCOC(=O)C(CC(=O)O)=C(c1ccccc1)c2ccccc2",2,0,2,"Verify Name","5438-22-2\n3-(ethoxycarbonyl)-4,4-diphenylbut-3-enoicacid\n3-(ethoxycarbonyl)-4,4-diphenyl-3-butenoicacid\nnsc16638\nac1l5enu\nac1q5v6u\nmls001165461\nchembl1897007\nethoxycarbonyldiphenylbutenoicacid\nctk5a0766\ndtxsid70280377\nmolport-001-781-551\nhms2858c09\nks-00001v9r\nzinc1747130\n5312ae\nnsc-16638\nnsc408985\nakos005069941\nmcule-9850926661\nnsc-408985\nrp16308\naj-31430\nsmr000549593\nst013731\nkb-334713\ntr-031586\nft-0680267\n3-ethoxycarbonyl-4,4-diphenylbut-3-enoicacid\n3e-052\n3-(ethylcarboxy)-4,4-diphenylbut-3-enoicacid\ni04-4048\nj-510875\nbutanedioicacid,2-(diphenylmethylene)-,1-ethylester\n",null,null,1]
[3613,"Propanoic acid, 2-amino-3-(4-chlorobenzenesulfon","5445-04-5",{"$nulls":3},"NC(CS(=O)(=O)c1ccc(cc1)Cl)C(=O)O",1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3615,"6h-purin-6-one,2-chloro-1,7-dihydro-7-methyl-,","5453-13-4",null,"Cn1c2c(nc1)nc(Cl)nc2NN",null,"Cn1c2c(nc1)nc(Cl)nc2NN",2,0,2,"Verify Name","(2-chloro-7-methylpurin-6-yl)hydrazine\n5453-13-4\n2-chloro-6-hydrazinyl-7-methyl-7h-purine\nnsc19064\nac1l5fii\nac1q3ppn\nctk5a1476\ndtxsid70280913\nnsc-19064\nzinc17148436\nakos006335236\n2-chloro-6-hydrazino-7-methyl-7h-purine\nkb-205985\n",null,null,0]
[3616,"4h-pyran-3,5-dicarboxylicacid,2,6-dimethyl-4-o","5456-14-4",null,"CCOC(=O)c1c(c(c(oc1C)C)C(=O)OCC)=O",null,"CCOC(=O)c1c(c(c(oc1C)C)C(=O)OCC)=O",2,0,2,"Verify Name","mls000737884\n5456-14-4\ndiethyl2,6-dimethyl-4-oxopyran-3,5-dicarboxylate\n2,6-dimethyl-4-oxo-4h-pyran-3,5-dicarboxylicaciddiethylester\nnsc7745\nac1l5bgt\nschembl1176806\nchembl1896997\ndiethyl2,6-dimethyl-4-oxo-4h-pyran-3,5-dicarboxylate\nctk5a1669\ndtxsid70278496\njissltokqrhsmj-uhfffaoysa-n\ndiethyl2,6-dimethyl-4-oxo-pyran-3,5-dicarboxylate\nac1q6461\nnsc-7745\nzinc1688347\nsmr000528074\n2,6-dimethyl-3,5-dicarboethoxy-4-pyrone\n2,6-dimethyl-4-oxo-4h-pyran-3,5-dicarboxylicacid,diethylester\n4h-pyran-3,5-dicarboxylicacid,2,6-dimethyl-4-oxo-,3,5-diethylester\n",null,null,1]
[3620,"N,N'bis-<2-cyano-ethyl>-alanine","5464-34-6",{"$nulls":3},"CC(C(=O)O)N(CCC#N)CCC#N",1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3624,"Benzenesulfonamide, 4-amino-N-(4-propyl-2-pyrimi","5466-36-4",null,"CCCc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3631,"hydrazinecarboxamide,1-ethyl-2-[(5-nitro-2-fura","5579-89-5",null,"CCN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O",null,"CCN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O",2,0,2,"Verify Name","nifursemizone\netafurazone\n5579-89-5\nnf-161\n5-nitro-2-furaldehyde2-ethylsemicarbazone\nhydrazinecarboxamide,1-ethyl-2-[(5-nitro-2-furanyl)methylene]-\n2-furaldehyde,5-nitro-,2-ethylsemicarbazone\nhydrazinecarboxamide,1-ethyl-2-((5-nitro-2-furanyl)methylene)-\nac1q5azm\nnifursemizone(usan/inn)\nschembl1817128\nchembl2106819\ndtxsid30204357\njgpnclkreclyto-bjmvgyqfsa-n\n2-furaldehyde,2-ethylsemicarbazone\nnsc186580\ncs-6589\nnsc-186580\nhy-101660\n5-nitro-2-furaldehyden'-ethylsemicarbazone#\nd05165\n1-ethyl-2-[(5-nitrofuran-2-yl)methylidene]hydrazinecarboxamide\n","Stereochemistry removed",null,0]
[3639,"7H-Purine-7-acetaldehyde, 1,2,3,6-tetrahydro-1,3","5614-53-9",{"$nulls":3},"Cn1c(n(c2c(c1=O)n(cn2)CC=O)C)=O",1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[3640,"1h-purine-1-aceticacid,2,3,6,7-tetrahydro-3,7-","5614-56-2",null,"Cn1c2c(nc1)n(c(n(c2=O)CC(=O)O)=O)C",null,"Cn1c2c(nc1)n(c(n(c2=O)CC(=O)O)=O)C",2,0,2,"Verify Name","1-theobromineaceticacid\n5614-56-2\nunii-6xl1i8j8nt\n6xl1i8j8nt\nchembl67109\n2-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-1-yl)aceticacid\n1-theobromine-aceticacid\n(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-1-yl)aceticacid\n2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1h-purine-1-aceticacid\n2-(3,7-dimethyl-2,6-dioxopurin-1-yl)aceticacid\ncaffeinicacid\neinecs227-034-0\n1h-purine-1-aceticacid,2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-\n3,7-dimethylxanthine-1-methanecarboxylicacid\nac1l2ka2\nschembl356160\nac1q3z24\nctk1g9998\ndtxsid50204672\nmolport-002-467-496\nyctscxlopjcpdh-uhfffaoysa-n\nbdbm50113250\nakos008045632\nzinc169318147\nmcule-7591740779\nne34492\nen300-10991\nz90662175\n(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-aceticacid\n1h-purine-1-aceticacid,2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-\n",null,null,0]
[3642,"2,5-Piperazinedione, 3-[(4-hydroxyphenyl)methyl]","5625-49-0",null,null,"OC=1CN=C(C(N1)Cc2ccc(cc2)O)O","OC=1CN=C(C(N1)Cc2ccc(cc2)O)O",2,0,2,"Search at least one confirmation",{"$nulls":3},1]
[3643,"2-Pyrrolidinecarboxamide, 5-oxo-N-phenyl-","5626-54-0","O=C1NC(CC1)C(=O)Nc2ccccc2",{"$nulls":3},1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[3646,"Ethane, 1,1'-[oxybis(methyleneoxy)]bis-","5648-29-3","CCOCOCOCC",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3647,"Benzoic acid, 2-[(carboxycarbonyl)amino]-","5651-01-4","O=C(O)C(=O)Nc1c(cccc1)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3650,"glycine,n-2-furoyl-2-phenyl-","5657-20-5","O=C(NC(C(=O)O)c1ccccc1)c2occc2","C#CCOc1c(cc(cc1I)I)C=NNC(=O)Cn2nc(nn2)-c3c(cccc3)Cl",null,"C#CCOc1c(cc(cc1I)I)C=NNC(=O)Cn2nc(nn2)-c3c(cccc3)Cl",2,1,1,"Verify Name","(2-furoylamino)(phenyl)aceticacid\n2-(furan-2-ylformamido)-2-phenylaceticacid\n5657-20-5\nac1q71se\nctk7f9690\nmolport-003-739-704\nakos000133721\nakos016051139\nmcule-9203421710\nne44075\nen300-29489\n2-[(furan-2-yl)formamido]-2-phenylaceticacid\nab01325133-02\nz85968853\n","Stereochemistry removed",null,0]
[3652,"5-Thiazolecarboxylic acid, 2-[[(4-aminophenyl)su","5664-51-7",null,"Nc1ccc(cc1)S(=O)(=O)Nc2sc(cn2)C(=O)O",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3653,"Altraric acid","5666-23-9","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,0]
[3657,"Hydrocinnamic acid, .alpha.-ethylidene-","5707-59-5","CC=C(Cc1ccccc1)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[3658,"Hexanedioic acid, 2,5-dihydroxy-2,5-dimethyl-","5739-18-4","CC(O)(CCC(C)(O)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3664,"propanoicacid,2,2'-thiobis","5811-50-7",null,"CC(SC(C)C(=O)O)C(=O)O",null,"CC(SC(C)C(=O)O)C(=O)O",2,0,2,"Verify Name","5811-50-7\nnsc243170\nac1l7sx2\nschembl78432\n2,2'-sulfanediyldipropanoicacid\ndtxsid60311427\n2,4-dimethyl-3-thia-glutaricacid\nakos009075671\nnsc-243170\n2-(1-carboxyethylsulfanyl)propanoicacid\n2-[(1-carboxyethyl)sulfanyl]propanoicacid\n2-(1-hydroxy-1-oxopropan-2-yl)sulfanylpropanoicacid\n",null,null,1]
[3665,"purine-1(2h)-propionicacid,3,6-dihydro-3,7-dim","5815-65-6",null,"Cn1c2c(nc1)n(c(n(c2=O)CCC(=O)O)=O)C",null,"Cn1c2c(nc1)n(c(n(c2=O)CCC(=O)O)=O)C",2,0,2,"Verify Name","5815-65-6\n3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanoicacid\nnsc521021\nac1l6y4x\nschembl8570022\nctk1h3632\ndtxsid90325875\nakos015969592\nnsc-521021\n3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propanoicacid\n3-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-1-yl)propanoicacid\n",null,null,0]
[3667,"5-norbornene-2,3-dicarboxylicacid,dimethylest","5826-73-3",null,"COC(=O)C1C(C2C=CC1C2)C(=O)OC",null,"COC(=O)C1C(C2C=CC1C2)C(=O)OC",2,0,2,"Verify Name","5826-73-3\ndimethyl5-norbornene-2,3-dicarboxylate\ndimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate\ndimethylcarbate\nnisy\ndimalone\nnsc-46421\ncompound3,916\nmethyl3-(methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate\n3014-58-2\nac1l1zgz\nacmc-1ah3y\nnorborn-5-ene-2endo,3endo-dicarboxylicaciddimethylester\nschembl147771\n5-norbornene-2,dimethylester\ndtxsid8041876\nctk5a8092\nnsc7326\nvgqlnjwoulyvfv-uhfffaoysa-n\n188131-65-9\nnsc-7326\nnsc46421\nsbb008177\nakos015840932\n5-norbornene-2,dimethylester,cis-\nfr-1014\nmcule-6136215019\nst092282\nwln:l55acutjevo1gvo1-c\ndb-080895\ntr-020263\ncs-0046190\nft-0625071\nbicyclo[2.2.1]hept-5-ene-2,dimethylester\nendo-methylenetetrahydrophthalicacid,dimethylester\ndimethylcis-bicyclo[2,1]-5-heptene-2,3-dicarboxylate\ndimethylcis-bicyclo[2.2.1]-5-heptene-2,3-dicarboxylate\ncis-bicyclo[2,1]-heptene-2,3-dicarboxylicacid,methylester\nbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid,2,3-dimethylester\ncis-bicyclo[2,1]hept-5-ene-2,3-dicarboxylicacid,dimethylester\ncis-3,6-endomethylene-.delta.(sup4)-tetrahydrophthalicaciddimethylester\nendo,exo-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicaciddimethylester\n",null,null,1]
[3669,"1,8,15,22-tetraazacyclooctacosane-2,9,16,23-tetr","5834-63-9",null,"O=C1NCCCCCC(NCCCCCC(NCCCCCC(NCCCCC1)=O)=O)=O",null,"O=C1NCCCCCC(NCCCCCC(NCCCCCC(NCCCCC1)=O)=O)=O",2,0,2,"Verify Name","1,8,15,22-tetraazacyclooctacosane-2,9,16,23-tetrone\n5834-63-9\n1,8,15,22-tetraaza-2,9,16,23-cyclooctacosanetetrone\nac1l2yer\nac1q6gx8\nctk1h3503\ndtxsid00207072\nlaigwnlgtidkpl-uhfffaoysa-n\nakos028110851\n1,8,15,22-tetrazacyclooctacosane-2,9,16,23-tetrone\n1,8,15,22-tetraazacyclooctacosane-2,9,16,23-tetrone#\n",null,null,1]
[3670,"butanoicacid,4-(diethylamino)-4-oxo-,propyle","5834-84-4",null,"CCCOC(=O)CCC(=O)N(CC)CC",null,"CCCOC(=O)CCC(=O)N(CC)CC",2,0,2,"Verify Name","propyln,n-diethylsuccinamate\npropyl-n,n-diethylsuccinamate\nnsc5677\n5834-84-4\nbrn1786368\nsuccinamicacid,n,n-diethyl-,propylester\npropyl4-(diethylamino)-4-oxobutanoate\nbutanoicacid,4-(diethylamino)-4-oxo-,propylester(9ci)\nac1l2yeu\nunii-3itz201c0s\n3itz201c0s\nbutanoicacid,4-(diethylamino)-4-oxo-,propylester\nschembl7196003\nwln:3ov2vn2&2\nn-propyl-n,n-diethylsuccinamate\nctk3i9333\ndtxsid60207073\nnsc5677\nnsc-5677\nzinc1687112\nsuccinamicacid,n-diethyl-,propylester\nls-147289\n3-(n,n-diethylcarbamoyl)propionicacidpropylester\n",null,null,1]
[3672,"endrocide(endox)(coumatetralyl)","5836-29-3",null,"O=c1c2c(oc(c1C3c4c(CCC3)cccc4)O)cccc2",null,"O=c1c(c(c2c(o1)cccc2)O)C3c4c(CCC3)cccc4",2,0,2,"Verify Name","coumatetralyl\nracumin\nendrocid\nendrocide\nrodentin\n5836-29-3\nendox\nraucumin57\ncumatetralyl\nbayer25634\nbayene11183b\ncaswellno.496a\ncoumatetralyl[bsi:iso]\n3-(d-tetralyl)-4-hydroxycoumarin\nene11183b\nbay25634\ncumatetralyl[german,dutch]\nccris6923\n3-(alpha-tetral)-4-oxycoumarin\nhsdb1725\n4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthyl)coumarin\neinecs227-424-0\n3-(alpha-tetralyl)-4-hydroxycoumarin\nepapesticidechemicalcode496100\nbrn1323631\n2h-1-benzopyran-2-one,4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-\n4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-2h-1-benzopyran-2-one\n4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthyl)-cumarin\ncoumarin,4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthyl)-\nchebi:80742\n4-hydroxy-3-(1,2,3,4-tetrahydro-1-naftyl)-cumarine\n4-idrossi-3-(1,2,3,4-tetraidro-1-naftil)-cumarina\n3-(1,2,3,4-tetrahydro-1-naphtyl)-4-hydroxycoumarine\n3-(1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycumarin[german]\n3-(1,2,3,4-tetrahydro-1-naphtyl)-4-hydroxycoumarine[french]\n4-hydroxy-3-(1,2,3,4-tetrahydro-1-naftyl)-cumarine[dutch]\n4-idrossi-3-(1,2,3,4-tetraidro-1-naftil)-cumarina[italian]\n3-(1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin\n4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-2h-chromen-2-one\ncoumetralyl\ncounmatetralyl\n4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one\nmurisana\nracumin57\nac1l2jqw\ndsstox_cid_21799\ndsstox_rid_79847\ndsstox_gsid_41799\nschembl137261\n3-(1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycumarin\nschembl5933927\nchembl3184636\ndtxsid8041799\nulsljyxhzdtlqk-uhfffaoysa-n\n3-(1-tetralyl)-4-hydroxycoumarin\ntox21_301252\n3-(|a-tetralyl)-4-hydroxycoumarin\n3-(|a-tetralinyl)-4-hydroxycoumarin\nakos015903266\n4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-2h-1-benzopyran-2-one(8ci)(9ci)\n3-(.alpha.-tetralyl)-4-hydroxycoumarin\nncgc00255682-01\nac-12689\nls-55246\n3-(.alpha.-tetralinyl)-4-hydroxycoumarin\ncas-5836-29-3\ntr-020287\ncoumatetralyl100microg/mlinacetonitrile\nft-0665202\nc16806\ncoumatetralyl,pestanal(r),analyticalstandard\ni14-19226\n3-(1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarine\n2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-4-one\n4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-2h-chromen-2-one#\n2h-1-benzopyran-2-one,4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-(9ci)\n4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-2h-1-benzopyran-2-one(8ci)\n",null,null,1]
[3682,"1,2,3-propanetricarboxylicacid,2-hydroxy-,mon","5949-29-1",null,"O=C(O)CC(O)(CC(=O)O)C(=O)O",null,"O=C(O)CC(O)(CC(=O)O)C(=O)O",2,0,2,"Verify Name","citricacidmonohydrate\n5949-29-1\ncitricacidhydrate\n2-hydroxypropane-1,2,3-tricarboxylicacidhydrate\ncitricacid,monohydrate\nunii-2968phw8qp\n1,2,3-propanetricarboxylicacid,2-hydroxy-,monohydrate\n2968phw8qp\nchebi:31404\ncitrate\nsbb068612\nacidumcitricummonohydricum\ncitricacidmonohydrate(usp)\ncitricacidmonohydrate[usp]\nmfcd00149972\ncitricacidmonohydrate,99+%,acsreagent\ncitricacidmonohydrate,99.5%,foranalysis\n2-hydroxypropane-1,2,3-tricarboxylicacid;hydrate\ncitratehydrate\ncitrohydrate\nc6h8o7.h2o\ncitricacidwater\nwatercitricacid\ncitricacidmonohydrate\ncitricacid(tn)\nacmc-20alep\nmonohydratecitricacid\ncitricacidmono-hydrate\nac1l2jzq\ncitricacid,acs\nac1q59cu\nschembl22721\ncitricacidhydrate(jp17)\nksc147i0b\ncitricacid,u.s.p.\n1,2,3-propanetricarboxylicacid,2-hydroxy-,hydrate\nchembl2107737\ndtxsid7074668\nctk0e7400\nks-00000uqz\nebd9925\nmolport-003-928-961\nyasyejjmzjalej-uhfffaoysa-n\ncitricacidmonohydrate,ultrapure\ngk0024\nakos015918207\nrl04246\ntra-0204919\ncitricacidmonohydrate,p.a.,99.5%\nak142751\nbc676786\ncitricacidmonohydrate,ar,>=99.5%\nls-54370\nm189\nor460066\nsc-46901\ndb-053400\nrt-004160\nft-0623958\nst24040698\ncitricacidmonohydrate,bioxtra,>=99.5%\nc12649\ncitricacidmonohydrate,lr,99.5-100.5%\ncitricacidmonohydrate,technical,crystalline\nd01222\ncitricacidmonohydrate,acsreagent,>=99.0%\n3-carboxy-3-hydroxy-pentanedioicacidmonohydrate\nc-36325\ncitricacid,monohydrate,crystal,reagent,acs\n2-hydroxypropane-1,2,3-tricarboxylicacid,hydrate\ni14-7701\n2-hydroxy-1,2,3-propanetricarboxylicacidmonohydrate\ncitricacidmonohydrate,jisspecialgrade,>=99.5%\ncitricacidmonohydrate,sajfirstgrade,>=99.5%\ncitricacidmonohydrate,acs,99.0-102.0%100g\ncitricacidmonohydrate,vetec(tm)reagentgrade,>=98%\n1,2,3-propanetricarboxylicacid,2-hydroxy-,hydrate(1:1)\ncitricacidmonohydrate,reagentgrade,>=98%(gc/titration)\ncitricacidmonohydrate,>=99.5%,suitableforaminoacidanalysis\ncitricacidmonohydrate,europeanpharmacopoeia(ep)referencestandard\ncitricacidmonohydrate,p.a.,acsreagent,reag.iso,reag.ph.eur.,99.5-100.5%\n15686-65-4\ncitricacidmonohydrate,puriss.p.a.,acsreagent,reag.iso,reag.ph.eur.,buffersubstance,99.5-102%\ncitricacidmonohydrate,puriss.,meetsanalyticalspecificationofph.eur.,bp,usp,e330,99.5-100.5%(basedonanhydroussubstance),grit\n",null,null,1]
[3687,".beta.-d-glucopyranose,4-o-.beta.-d-galactopyra","5965-66-2",null,"OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",null,"OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",2,0,2,"Verify Name","beta-lactose\nbeta-d-lactose\nlactose\n5965-66-2\nfast-flolactose\n4-o-beta-d-galactopyranosyl-beta-d-glucopyranose\nmilksugar\nd-lactose\nfast-flo\nlactoseanhydrous\npharmatose450m\nlactobiose\nlactin\nunii-13q3a43e0s\nsaccharumlactin\neinecs227-751-9\nbeta-d-glucopyranose,4-o-beta-d-galactopyranosyl-\naletobiose\ngalactinum\ntablettose\nccris7078\nchebi:36218\nzeparoxep\nlactosefast-flo\npharmatose21\n13q3a43e0s\n(+)-lactose\nbeta-d-galactopyranosyl-(1->4)-beta-d-glucopyranose\nd-(+)-lactose\nlactin(carbohydrate)\nbrn0093796\n4-(beta-d-galactosido)-d-glucose\nai3-08876\n4-o-beta-d-galactopyranosyl-d-glucose\nosmolactan\nsuper-tab\n.beta.-lactose\ntablettose70\ntablettose80\npharmatose325m\nsorbalac400\nflowlac100\npharmatosadcl21\n(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol\nlat\n1gwv\n1gzc\n2zgm\ngalbeta1-4glcbeta\ngalb1-4glcb\nlactose(8ci)\npubchem18839\n1ax1\n1z3v\n2nn8\nac1l1lvc\ndsstox_cid_3193\ndsstox_rid_76916\ndsstox_gsid_23193\nbgc-(4-1)gal\nbgc-(4-1)glb\nchembl417016\ngal-(1-4)bgc\ngal-(1-4)glc\nglb-(1-4)bgc\nalpha-d(+)-lactosemonohydrate\ngubgytabksrvrq-dcsyegimsa-n\nmolport-006-110-166\nzinc4095761\ntox21_301866\n6023af\nbdbm50370453\nbeta-d-galp-(1->4)-beta-d-glcp\nmfcd00064521\nbeta-d-gal-(1-->4)-beta-d-glc\nakos015950662\nls-3198\nb-lactose-min70%b-anomer\ncas-63-42-3\nd-glucose,4-o-beta-d-galactopyranosyl\nncgc00255383-01\nan-20054\nan-23731\n.beta.-d-gal-(1-->4)-.beta.-d-glc\nab1002539\nls-168650\nc01970\nd-glucose,4-o-b-d-galactopyranosyl-(9ci)\nbeta-d-galactopyranosyl-(1->4)-beta-d-glucose\na832404\nbeta-lactose,suitableforcomponentforculturemedia\nbeta-d-lactose,containsca.70%betaandca.30%alpha\nunii-w8k377w98icomponentgubgytabksrvrq-dcsyegimsa-n\n60b85732-763b-4e21-bd67-6163315fd251\nbeta-lactose,<=30%alpha-anomerbasis,>=99%totallactosebasis\nwurcs=1.0/2,1/[12112h|1,5][12122h|1,5]1+1,2+4\n(2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-((2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)tetrahydro-2h-pyran-2,3,4-triol\n(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol\n(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol\n(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6rs)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol\n(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-[[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]oxane-3,4,5-triol\n","Stereochemistry removed",null,1]
[3690,"MORPHINAN-3,6-DIOL, 7,8-DIDEHYDRO-4,5-EPOXY-17-M","6009-81-0",null,"CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[3695,"1h-purine-2,6-dione,3,7-dihydro-3,7,8-trimethyl","6050-42-6",null,"CC1Cc2c(CC1)c(c(s2)NC(=O)c3cnccc3)C(=O)Nc4ccccc4",null,"CC1Cc2c(CC1)c(c(s2)NC(=O)c3cnccc3)C(=O)Nc4ccccc4",2,0,2,"Verify Name","st015404\n6050-42-6\nn-[6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide\nzinc01081028\nac1merm6\ncbmicro_042589\noprea1_173487\ndtxsid50387171\nmolport-002-181-807\nstk041056\nakos024276284\nmcule-4778733149\nbim-0042759.p001\n[6-methyl-2-(3-pyridylcarbonylamino)(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)]-n-benzamide\n",null,null,0]
[3700,"Phthalic acid, bis(2,2,2-trinitroethyl) ester","6093-30-7","O=C(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])c1c(cccc1)C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3701,"2-Butanol, 1,1,1-trichloro-","6111-61-1","CCC(O)C(Cl)(Cl)Cl",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3708,"BENZOIC ACID, 3,4-DIMETHOXY-, MONOHYDRATE","6159-60-0","COc1c(cc(cc1)C(=O)O)OC",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[3719,"Salicylic acid, 5-(2H-benzotriazol-2-yl)-","6245-33-6","O=C(O)c1c(ccc(c1)-n2nc3c(n2)cccc3)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[3728,"propanoicacid,2-hydroxy-,1-methyl-2-oxo-2-(2-","6283-80-3",null,"C=CCOC(=O)C(C)OC(=O)C(C)O",null,"C=CCOC(=O)C(C)OC(=O)C(C)O",2,0,2,"Verify Name","6283-80-3\n(1-oxo-1-prop-2-enoxypropan-2-yl)2-hydroxypropanoate\nnsc7722\nac1q5xgh\nac1l5bg3\nschembl19105479\nctk5b6292\ndtxsid60278485\n1-oxo-1-(prop-2-en-1-yloxy)propan-2-yl2-hydroxypropanoate\nnsc-7722\nnsc405482\nnsc-405482\n2-hydroxy-propionicacid1-allyloxycarbonyl-ethylester\n1-oxo-1-[(prop-2-en-1-yl)oxy]propan-2-yl2-hydroxypropanoate\npropanoicacid,2-hydroxy-,1-methyl-2-oxo-2-(2-propen-1-yloxy)ethylester\n",null,null,0]
[3731,"propanoicacid,2-[(methoxycarbonyl)oxy]-,methy","6288-11-5",null,"COC(=O)OC(C)C(=O)OC",null,"COC(=O)OC(C)C(=O)OC",2,0,2,"Verify Name","methyl2-methoxycarbonyloxypropanoate\n6288-11-5\nnsc12057\nac1l5cxg\nschembl10012464\nctk5b6456\ndtxsid00279274\nnsc-12057\npropanoicacid,2-[(methoxycarbonyl)oxy]-,methylester\n",null,null,1]
[3737,"2,4(1h,3h)-pyrimidinedione,5-methyl-1-(phenylme","6306-73-6",null,"Cc1c([nH]c(n(c1)Cc2ccccc2)=O)=O",null,"Cc1c([nH]c(n(c1)Cc2ccccc2)=O)=O",2,0,2,"Verify Name","6306-73-6\n1-benzyl-5-methyl-1h-pyrimidine-2,4-dione\nchembl365123\n1-benzyl-5-methyl-2,4(1h,3h)-pyrimidinedione\n1-benzyl-5-methylpyrimidine-2,4-dione\n1-benzylthymine\nnsc42047\nac1l5zwq\nac1q6cgb\n1-benzyl-5-methylpyrimidine-2,4(1h,3h)-dione\noprea1_731836\nmls000533095\nschembl3996660\nctk5b7356\ndtxsid10285487\nmolport-001-966-795\nynhqgnhvhhzpta-uhfffaoysa-n\nhms1703k17\nhms2488p24\nzinc198568\nks-00003k9i\nbdbm50164410\nnsc-42047\nakos000549820\nfc-0066\nmcule-4654323255\nbas01838742\nsmr000140533\n1-benzyl-5-methyl-3h-pyrimidine-2,4-dione\n5-methyl-1-benzyl-1h-pyrimidine-2,4-dione\n1-benzyl-5-methyl-pyrimidine-2,4-dione\n1-benzyl-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione\n2,4(1h,3h)-pyrimidinedione,5-methyl-1-(phenylmethyl)-\n2,4(1h,3h)-pyrimidinedione,5-methyl-1-(phenylmethyl)-\n",null,null,1]
[3743,"N-<2-cyano-ethyl>-L-leucine","6328-87-6",null,"CC(C)CC(NCCC#N)C(=O)O",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[3752,"1,3-Benzenesulfonic acid, 2,5-diamino","6409-48-9",{"$nulls":3},"Nc1cc(c(c(c1)S(=O)(=O)O)N)S(=O)(=O)O",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[3766,"4-oxo-1,2,3,4-tetrahydro-<2>naphthoic acid","6566-40-1",null,"O=C1c2c(CC(C1)C(=O)O)cccc2",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[3770,"butyricacid,2-formamido-3-methoxy-,dl-","6622-23-7",null,"CC(C)Oc1ccc(cc1)COc2c(cc(cc2)CC(=O)O)Cl",null,"CC(C)Oc1ccc(cc1)COc2c(cc(cc2)CC(=O)O)Cl",2,0,2,"Verify Name","2-[3-chloro-4-[(4-propan-2-yloxyphenyl)methoxy]phenyl]aceticacid\n6622-23-7\nac1nqtra\nthreonine,n-formyl-o-methyl-\nschembl11460459\nctk5c3685\ndtxsid70411629\nzinc392252\n",null,null,0]
[3772,"sulfone,1-bromoethylethyl","6668-12-8","CCS(=O)(=O)C(C)Br","COc1c(cc(cc1)C)NC(=S)NN=Cc2cc(ccc2)[N+](=O)[O-]",null,"COc1c(cc(cc1)C)NC(=S)NN=Cc2cc(ccc2)[N+](=O)[O-]",2,1,1,"Verify Name","6668-12-8\nac1nqbq1\ndtxsid00410842\nmcule-8340744397\n1-(2-methoxy-5-methylphenyl)-3-[(3-nitrophenyl)methylideneamino]thiourea\nn-(2-methoxy-5-methylphenyl)-2-[(3-nitrophenyl)methylidene]hydrazine-1-carbothioamide\n","Stereochemistry removed",null,0]
[3775,"1,2-benzenedicarboxylicacid,3-nitro-,2-methyl","6744-85-0",null,"COC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",null,"COC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",2,0,2,"Verify Name","2-(methoxycarbonyl)-3-nitrobenzoicacid\n6744-85-0\n3-nitro-phthalicacid2-methylester\nnsc52151\nac1l6amv\nac1q42di\nac1q5au9\noprea1_275812\noprea1_656052\nschembl4415542\nctk5c6177\ndtxsid90287681\nmolport-000-189-365\nuteqvemdyyojgm-uhfffaoysa-n\nzinc469054\n0373ac\nnsc-52151\nstl230916\n2-methoxycarbonyl-3-nitrobenzoicacid\n3-nitro-phthalicacid-2-methylester\nakos002687654\n2-(methoxycarbonyl)-3-nitrobenzoicacid\n2-methoxycarbonyl-3-nitro-benzoicacid\nan-4709\nmcule-2929925358\naj-23065\nda-04432\nab0190641\nax8246092\nkb-224133\nft-0701627\nst45182369\nw-2952\n",null,null,1]
[3779,"Phthalic acid, 3-nitro-, isopentyl ester","6744-92-9","CC(C)CCOC(=O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[3812,"n-nitrosomethylbutylamine","7068-83-9","CCCCNCN=O","CCCCN(C)N=O","CCCCN(C)N=O","CCCCN(C)N=O",3,1,0,"Verify Name","methylbutylnitrosamine\nbutylmethylnitrosamine\n7068-83-9\nn-nitroso-n-methylbutylamine\nnitrosomethyl-n-butylamine\nmbna\nnmba\nn-butyl-n-methylnitrosamine\nmethyl-n-butylnitrosamine\nn-methyl-n-butylnitrosamine\nn-methyl-n-nitrosobutylamine\nn-nitroso-n-butylmethylamine\nn-nitrosomethyl-n-butylamine\nmethylbutylnitrosoamine\nmethyl-butyl-nitrosamin\nbutanamine,n-methyl-n-nitroso-\nbutylamine,n-methyl-n-nitroso-\nn-nitroso-n-methyl-n-n-butylamine\nccris1122\nmethyl-butyl-nitrosamin[german]\nunii-f60apv88ql\nbrn1701369\nf60apv88ql\nn-butyl-n-methylnitrousamide\nn-butyl-n-methyl-nitrosamine\n1-butanamine,n-methyl-n-nitroso-\n75016-36-3\nac1l2mey\nnitroso-methyl-n-butylamine\nn-nitroso-n-methylbutylamine\nchembl348740\nschembl1578060\nctk5e0925\nn-methyl-n-nitrosobutan-1-amine\npktscjxwlvrekx-uhfffaoysa-\ndtxsid20220960\nmolport-003-958-983\npktscjxwlvrekx-uhfffaoysa-n\nzinc5260476\n1-butyl-1-methyl-2-oxohydrazine#\nfch838686\nakos006273540\nn-butyl-n-methyl-nitrousamide\nkb-58699\nls-47426\nft-0695193\nc-44179\ninchi=1/c5h12n2o/c1-3-4-5-7(2)6-8/h3-5h2,1-2h3\n",null,null,1]
[3818,"4-picoline,2-chloro-6-methoxy-alpha,alpha,alpha","7159-34-4",null,"COc1nc(cc(c1)C(Cl)(Cl)Cl)Cl",null,"COc1nc(cc(c1)C(Cl)(Cl)Cl)Cl",2,0,2,"Verify Name","pyroxychlor\nlorvek\npyroxychlor[ansi]\ncaswellno.194c\ndowco269\npyroxychlor[ansi:iso]\nunii-hd24fy2j31\n2-chloro-6-methoxy-4-(trichloromethyl)pyridine\nepapesticidechemicalcode295100\nbrn1529945\nhd24fy2j31\n7159-34-4\nm4109\npyridine,2-chloro-6-methoxy-4-(trichloromethyl)-\n4-picoline,2-chloro-6-methoxy-alpha,alpha,alpha-trichloro-\nac1l2mkz\nschembl166639\ndtxsid1042362\nrpckkuflsmorhb-uhfffaoysa-n\npyridine,2-chloro-6-methoxy-4-(trichloromethyl)-(7ci)(8ci)(9ci)\nls-109617\npyridine,2-chloro-6-methoxy-4-(trichloromethyl)-(7ci)(8ci)\n",null,null,0]
[3826,"monalide(potablan)","7287-36-7",null,"CCCC(C)(C)C(=O)Nc1ccc(cc1)Cl",null,"CCCC(C)(C)C(=O)Nc1ccc(cc1)Cl",2,0,2,"Verify Name","monalide\npotablan\n7287-36-7\nschering-35830\nn-(4-chlorophenyl)-2,2-dimethylpentanamide\nmonalide[bsi:iso]\ncaswellno.188aa\nunii-pv4fmd17u4\npentanamide,n-(4-chlorophenyl)-2,2-dimethyl-\nvaleranilide,4'-chloro-2,2-dimethyl-\nsn35830\nn-(4-chlorophenyl)-2,2-dimethylvaleroamide\n4'-chloro-2,2-dimethylvaleranilide\neinecs230-712-9\nd-90-a\nepapesticidechemicalcode288400\nbrn5528162\npv4fmd17u4\nn-(4-chlorphenyl)-2,2-dimethylpentamid\n4'-chloro-alpha,alpha-dimethylvaleranilide\n4-chloranilidkyseliny2,2-dimethylvalerove\nchebi:82180\nn-(4-chlorphenyl)-2,2-dimethylpentamid[german]\n4-chloranilidkyseliny2,2-dimethylvalerove[czech]\nn-(4-chlor-phenyl)-2,2-dimethyl-valeriansaeureamid\nn-(4-chlor-phenyl)-2,2-dimethyl-valeriansaeureamid[german]\nac1l2mvt\nschembl54004\nn-(4-chlorophenyl)-2,2-dimethylvaleramide(9ci)\nchembl1520034\ndtxsid0042163\nkxgybsnvfxbpno-uhfffaoysa-n\nd90a\nzinc2029332\nakos015902479\nncgc00166152-01\nls-161010\nn-(4-chlorophenyl)-2,2-dimethylvaleramide\nmonalide,pestanal(r),analyticalstandard\nc19053\ni14-19585\nn-(4-chlorophenyl)-.alpha.,.alpha.-dimethylvaleramide\n4invertedexclamationmarka-chloro-2,2-dimethylvaleranilide\n",null,null,1]
[3831,"3,5-Dimethyl-4-thia-hepta-2,5-diendioic acid","7345-19-9","CC(=CC(=O)O)SC(C)=CC(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3832,"Benzoylamino-phenyl-acetic acid","7352-07-0","O=C(NC(C(=O)O)c1ccccc1)c2ccccc2",{"$nulls":3},1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[3846,"3-furancarboxylicacid,tetrahydro-3-methyl-2-ox","7473-09-8",null,"CC1(C(OCC1)=O)C(=O)O",null,"CC1(C(OCC1)=O)C(=O)O",2,0,2,"Verify Name","7473-09-8\n3-methyl-2-oxooxolane-3-carboxylicacid\n3-methyl-2-oxo-tetrahydro-furan-3-carboxylicacid\nnsc400226\nac1l7z0e\nctk2h7465\ndtxsid00322017\nakos006376282\nnsc-400226\n3-methyl-2-oxo-oxolane-3-carboxylicacid\n",null,null,1]
[3847,"1,2-Anthracenedicarboxylic acid, 9,10-dihydro-9,","7475-29-8",null,"O=C(O)c1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)C(=O)O",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[3855,"2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3,","7525-08-8",{"$nulls":3},"O=c1c2=c(cc(c1=NNc3ccccc3)S(=O)(=O)O)cc(S(=O)(=O)O)c(=NNc4ccccc4)c2=O",1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[3869,"PIMARICIN (Natamycin)","7681-93-8",null,null,"CC1OC(C=CC2C(CC(CC3(OC(CC(C=CC=CC=CC=CC1)OC4(C(C(C(C(O4)C)O)N)O)C)C(C(C3)O)C(=O)O)O)O)O2)=O","CC1OC(C=CC2C(CC(CC3(OC(CC(C=CC=CC=CC=CC1)OC4(C(C(C(C(O4)C)O)N)O)C)C(C(C3)O)C(=O)O)O)O)O2)=O",2,0,2,"Search at least one confirmation",null,"Stereochemistry removed",null,0]
[3896,"1-butanol,2-ethyl-,acetate","10031-87-5","CCC(CC)CO","CCC(CC)COC(C)=O","CCC(CC)COC(C)=O","CCC(CC)COC(C)=O",3,1,0,"Verify Name","2-ethylbutylacetate\n10031-87-5\naceticacid,2-ethylbutylester\n2-ethylbutylacetate\nbeta-ethylbutylacetate\naceticacid2-ethylbutylester\nunii-r7s9t22253\nr7s9t22253\nfemano.2425\n2-ethylbutylacetat\neinecs233-095-4\nun1177\n2-ethylbutyl=acetate\nacmc-2097ot\nschembl27305\n2-ethylbutylacetate,98%\nksc492s4h\nac1l1v95\n2-ethylbutylacetate,>=98%\ndtxsid5064916\nctk3j2943\nfema2425\nhqlkzwrsohterr-uhfffaoysa-\nks-00000ynv\nhqlkzwrsohterr-uhfffaoysa-n\nmolport-000-155-180\nzinc409361\nanw-14235\nfch931897\nakos006220485\nan-20982\ncc-23655\ncj-04232\nzb013973\nrt-001133\na0029\nft-0612265\nc-24727\n2-ethylbutylacetate[un1177][flammableliquid]\ni04-9826\nj-000097\n2-ethylbutylacetate[un1177][flammableliquid]\ninchi=1/c8h16o2/c1-4-8(5-2)6-10-7(3)9/h8h,4-6h2,1-3h3\n",null,null,1]
[3909,"propanoicacid,2-hydroxy-2-methyl-,2-phenyleth","10290-01-4",null,"CC(C)(O)C(=O)OCCc1ccccc1",null,"CC(C)(O)C(=O)OCCc1ccccc1",2,0,2,"Verify Name","10290-01-4\nalpha-hydroxyisobutyricacid2-phenylethylester\n2-phenylethylalpha-hydroxyisobutyrate\nbrn2722272\nisobutyricacid,alpha-hydroxy-,2-phenylethylester\n2-fenylethylesterkyselinyalpha-hydroxyisomaselne[czech]\nac1l18hg\n2-fenylethylesterkyselinyalpha-hydroxyisomaselne\n3-06-00-01712(beilsteinhandbookreference)\nctk8g4614\ndtxsid20145563\nphenethyl2-hydroxy-2-methylpropanoate\n2-phenylethyla-hydroxyisobutyrate\nls-84402\n2-phenylethyl2-hydroxy-2-methylpropanoate\n2-phenylethyl2-hydroxy-2-methylpropionate\n2-hydroxy-2-methyl-propionicacidphenethylester\n2-hydroxy-2-methylpropanoicacid2-phenylethylester\n",null,null,1]
[3916,"3-Hydroxycamphor","10373-81-6","CC12C(C(C(CC1)C2(C)C)O)=O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[3937,"ETHEPHON","11672-87-0","O=P(O)(O)CCCl",null,"O=P(O)(O)CCCl",null,2,0,2,"Search at least one confirmation",null,null,"Checked on PubChem",0]
[3947,"3-(1,3-Dimethylbutoxy)propane-1,2-diol","13021-58-4","CC(C)CC(C)OCC(O)CO",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[3955,"Periplocin","13137-64-9","COC1C(C(OC(C1O)COC2C(OC(CC2O)O)C)OC3CC4(C(CC3)(C)C5C(C6(C(CC5)(C)C(C=7COC(C7)=O)CC6)O)CC4)O)O","COC1C(C(OC(C1O)COC2C(OC(CC2O)O)C)OC3CC4(C(CC3)(C)C5C(C6(C(CC5)(C)C(C=7COC(C7)=O)CC6)O)CC4)O)O",null,null,2,0,2,"Search at least one confirmation",null,"Stereochemistry removed",null,0]
[3956,"1-Cyclohexene-1-carboxylic acid, 2-methyl-","13148-94-2","CC=1CCCCC1C(=O)O",null,"CC=1CCCCC1C(=O)O",null,2,0,2,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[3961,"2h-purin-2-one,1,3,6,7-tetrahydro-1,3,7-trimeth","13182-58-6",null,"Cn1c(n(c2c(c1=S)n(cn2)C)C)=O",null,"Cn1c(n(c2c(c1=S)n(cn2)C)C)=O",2,0,2,"Verify Name","6-thiocaffeine\nm&b6227\n13182-58-6\ncaffeine,6-thio-\nbrn0205182\n2h-purin-2-one,1,3,6,7-tetrahydro-1,3,7-trimethyl-6-thioxo-\n1,3,7-trimethyl-6-sulfanylidenepurin-2-one\nac1l19pl\nschembl9257690\nctk4b7543\ndtxsid70157217\npyudrfsiknbdqs-uhfffaoysa-n\nakos015905618\nls-48603\ni14-22775\n1,3,7-trimethyl-6-thioxo-1,3,6,7-tetrahydro-2h-purin-2-one\n1,3,7-trimethyl-6-thioxo-1,3,6,7-tetrahydro-2h-purin-2-one#\n2h-purin-2-one,1,3,6,7-tetrahydro-1,3,7-trimethyl-6-thioxo-\n",null,null,0]
[3969,"benzeneaceticacid,.alpha.-[(carboxymethyl)thio","13330-93-3",null,"O=C(O)CSC(C(=O)O)c1ccccc1",null,"O=C(O)CSC(C(=O)O)c1ccccc1",2,0,2,"Verify Name","13330-93-3\n2-(carboxymethylsulfanyl)-2-phenylaceticacid\n[(carboxymethyl)sulfanyl](phenyl)aceticacid\nbenzeneaceticacid,a-[(carboxymethyl)thio]-\nnsc109959\nac1q5sx9\nac1l6m59\nctk4b8464\ndtxsid40296581\nakos022655819\nnsc-109959\nkb-223861\n",null,null,1]
[3976,"benzoicacid,2-[[(aminocarbonyl)amino]carbonyl]","13435-16-0",null,"NC(=O)NC(=O)c1c(cccc1)C(=O)O",null,"NC(=O)NC(=O)c1c(cccc1)C(=O)O",2,0,2,"Verify Name","phthalicacidmonoureide\nn-carbamoylphthalamicacid\nbrn3531296\nphthalamicacid,n-carbamoyl-\n2-(carbamoylcarbamoyl)benzoicacid\n13435-16-0\nbenzoicacid,2-(((aminocarbonyl)amino)carbonyl)-(9ci)\nn-carbamoylphthalamidicacid\n4-09-00-03263(beilsteinhandbookreference)\nac1l35g6\ndtxsid10158667\nzinc5583639\nakos024366042\nmcule-1446901931\n2-[n-(???methyl)carbamoyl]benzoicacid\nls-109075\nst50999377\nbenzoicacid,2-(((aminocarbonyl)amino)carbonyl)-\n",null,null,1]
[3977,"L-Cysteine, N-acetyl-S-(3-chlorophenyl)-","13443-68-0","CC(=O)NC(CSc1cc(ccc1)Cl)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,0]
[3981,"BENZOIC ACID, 4-AMINO-, HEXYL ESTER","13476-55-6","CCCCCCOC(=O)c1ccc(cc1)N",{"$nulls":3},1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[3983,"guazatinefreebase","13516-27-3",null,"NC(N)=NCCCCCCCCNCCCCCCCCN=C(N)N",null,"N=C(N)NCCCCCCCCNCCCCCCCCNC(=N)N",2,0,2,"Verify Name","iminoctadine\nguazatine\nmurbenine\nmitrol\npanolil\nguazatine[bsi:iso]\n13516-27-3\nguazatine[iso]\nguazatineacetatesalt\ncaswellno.471d\nbis(8-guanidinooctyl)amine\nunii-c376jtx506\niminoctadiene\nguanidine,n,n'''-(iminodi-8,1-octanediyl)bis-\niminobis(octamethylene)diguanidine\nmc25\neinecs236-855-3\n115044-19-4\nepapesticidechemicalcode498200\nbis(8-guanidino-octyl)amine\n1,1'-(iminobis(octamethylene))diguanidine\nchebi:5569\nchembl102276\nn,n'''-(iminodi-8,1-octanediyl)bisguanidine\nc376jtx506\n108173-90-6\nguanidine,n,n'''-(iminodi-8,1-octanediyl)bis-\nn-{8-[(8-{[(e)-amino(imino)methyl]amino}octyl)amino]octyl}guanidine\ngzz\niminoctadine[iso]\n1,1'-(iminodioctamethylene)diguanidine\ndecotine\nbelcut\nac1l1g4w\nschembl68055\nac1q4t16\ndtxsid7042015\nctk8e9432\nronfgurobzgjkp-uhfffaoysa-n\nzinc4098976\nbdbm50032500\nls-73734\nls-73974\n1,1'-(iminodioctane-8,1-diyl)diguanidine\nrt-013134\n1-[8-(8-guanidinooctylamino)octyl]guanidine\n2-[8-(8-guanidinooctylamino)octyl]guanidine\nv0877\nc10997\nguanidine,1,1'-(iminobis(octamethylene))di-\nn-[8-(8-guanidino-octylamino)-octyl]-guanidine\n516i273\nguanidine,1,1'-(iminobis(octamethylene))di-(8ci)\n1,1''-(8,8''-azanediylbis(octane-8,1-diyl))diguanidine\n2-[8-[8-(diaminomethylideneamino)octylamino]octyl]guanidine\nguazatineacetatesalt,pestanal(r),analyticalstandard\n",null,null,1]
[3986,"propanoicacid,2-hydroxy-,2-butoxy-1-methyl-2-","13544-80-4",null,"CCCCOC(=O)C(C)OC(=O)C(C)O",null,"CCCCOC(=O)C(C)OC(=O)C(C)O",2,0,2,"Verify Name","1-butoxy-1-oxopropan-2-yl2-hydroxypropanoate\n13544-80-4\nnsc78783\nac1q5xh6\nnciopen2_004217\nbutyl-2-lactoyloxy-propanoate\nac1l5q62\nschembl8391017\nctk4b9822\ndtxsid50291865\nnsc-78783\n(1-butoxy-1-oxopropan-2-yl)2-hydroxypropanoate\npropanoicacid,2-hydroxy-,2-butoxy-1-methyl-2-oxoethylester\n",null,null,0]
[3987,"DL-2,3-Dimethylsuccinic acid","13545-04-5",null,"CC(C(=O)O)C(C)C(=O)O",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,2]
[3993,"Piperidine, 3-propyl-,","13603-14-0",null,"CCCC1CNCCC1",null,null,1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[4005,"Benzenesulfonamide, .alpha.-hydroxy-, butyl este","14007-02-4",null,"CCCCOC(=O)C(O)c1ccccc1",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4007,"3-furancarboxylicacid,2-methyl-5-(1,2,3,4-tetr","14048-58-9",null,"Cc1c(cc(o1)C(O)C(O)C(O)CO)C(=O)O",null,"Cc1c(cc(o1)C(O)C(O)C(O)CO)C(=O)O",2,0,2,"Verify Name","14048-58-9\n2-methyl-5-(1,2,3,4-tetrahydroxybutyl)furan-3-carboxylicacid\n2-methyl-5-(1,2,3,4-tetrahydroxybutyl)-3-furoicacid\n21532-38-7\nac1nlqwr\nac1q2ehp\nctk4c2230\ndtxsid20407133\nmolport-002-469-242\nqcjqvlkxeyqmlf-uhfffaoysa-n\nhms1783h16\nakos022180356\nmcule-9011547241\nne60605\nrt-007907\nen300-13759\nsr-01000071127\nsr-01000071127-1\nz94601316\n1,4-anhydro-2-carboxy-2,3-dideoxy-1-methylocta-1,3-dienitol\n3-furancarboxylicacid,2-methyl-5-[(1s,2r,3r)-1,2,3,4-tetrahydroxybutyl]-\n","Stereochemistry removed",null,0]
[4025,"Hexanamide, N-(aminocarbonyl)-2-bromo-","14299-56-0","CCCCC(Br)C(=O)NC(N)=O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[4026,"2,4,6(1h,3h,5h)-pyrimidinetrione,1,3-dimethyl-5","14305-99-8",null,"CN1C(N(C(C(C1=O)[N+](=O)[O-])=O)C)=O",null,"CN1C(N(C(C(C1=O)[N+](=O)[O-])=O)C)=O",2,0,2,"Verify Name","14305-99-8\n1,3-dimethyl-5-nitro-1,3-diazinane-2,4,6-trione\ndimethylnitrobarbitursaure\nac1md9cv\noprea1_256607\nctk4c3460\ndtxsid70382946\nzinc3128866\nccg-51495\ndb-082401\nft-0743118\nsr-01000640790-1\n1,3-dimethyl-5-nitropyrimidine-2,4,6(1h,3h,5h)-trione\n2,4,6(1h,3h,5h)-pyrimidinetrione,1,3-dimethyl-5-nitro-\n",null,null,1]
[4030,"Oxalic acid-2-ethylester-1-chloride-1-oxime","14337-43-0",null,"CCOC(=O)C(Cl)=NO",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,0]
[4036,"1,6-anthracenedisulfonicacid,9,10-dihydro-9,10","14486-58-9",null,"O=C1c2c(C(c3c1cc(S(=O)(=O)O)cc3)=O)c(ccc2)S(=O)(=O)O",null,"O=C1c2c(C(c3c1cc(S(=O)(=O)O)cc3)=O)c(ccc2)S(=O)(=O)O",2,0,2,"Verify Name","9,10-dioxoanthracene-1,6-disulfonicacid\n14486-58-9\n9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonicacid\nanthraquinone-1,6-disulfonicacid\neinecs238-492-6\nac1l37jj\nac1q6x0f\nschembl1618183\n9,10-dioxo-9,10-dihydroanthracene-1,6-disulfonicacid\nctk0i2503\ndtxsid50162824\nzinc5553424\n",null,null,1]
[4050,"1,6-DIOXASPIRO[4,4]NONANE, 2,2,7,7-TETRAMETHYL-","15031-07-9","CC1(OC2(CC1)OC(CC2)(C)C)C",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4058,"Benzoic acid, 4-hydroxy-3-iodo-, propyl ester","15126-08-6","CCCOC(=O)c1cc(c(cc1)O)I",null,"CCCOC(=O)c1cc(c(cc1)O)I",null,2,0,2,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[4066,"benzamide,2-iodo-n-phenyl","15310-01-7",null,"O=C(Nc1ccccc1)c2c(cccc2)I",null,"O=C(Nc1ccccc1)c2c(cccc2)I",2,0,2,"Verify Name","benodanil\n2-iodo-n-phenylbenzamide\n15310-01-7\ncalirus\nbenzanilide,2-iodo-\n2-iodobenzanilide\nbenzamide,2-iodo-n-phenyl-\n2-iodobenzoicacidanilide\nbas3170f\nbas-3170\nbenodanil[bsi:iso]\nunii-993anp6b3r\nnsc100499\neinecs239-352-7\nbrn2725018\n993anp6b3r\nchebi:82052\nljozmwrymkecff-uhfffaoysa-n\ni-7640\nae-641/02572027\nbenefit\n2-iodobenzanilide(8ci)(9ci)\nn-phenyl-2-iodobenzamide\n2-iodobenzanilide(8ci)\nac1l1cp4\n(2-iodophenyl)-n-benzamide\ndsstox_cid_21623\ndsstox_rid_79792\ndsstox_gsid_41623\noprea1_817725\nschembl18736\ncbdive_015332\n3-12-00-00506(beilsteinhandbookreference)\nac1q4p94\nchembl1357627\ndtxsid7041623\nzinc61524\nmolport-001-838-400\nbcp18881\nex-a1192\ntox21_300420\nnsc100499\nakos003635397\nbenzamide,2-iodo-n-phenyl-(9ci)\nmcule-6478095492\nnsc-100499\nncgc00166175-01\nncgc00166175-02\nncgc00254248-01\nls-27660\nst010182\nzb002438\nbc4113806\ncas-15310-01-7\nkb-120013\nft-0721846\nbenodanil,pestanal(r),analyticalstandard\n10.14272/ljozmwrymkecff-uhfffaoysa-n\nc18907\nc-56151\ndoi:10.14272/ljozmwrymkecff-uhfffaoysa-n\n",null,null,1]
[4067,"Propanamide, N-(chloroacetyl)-","15322-68-6","CCC(=O)NC(=O)CCl",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[4070,"3,5-pyridinedicarboxylicacid,2,6-dimethyl-,di","15420-54-9",null,"Cc1c(cc(c(n1)C)C(=O)NN)C(=O)NN",null,"Cc1c(cc(c(n1)C)C(=O)NN)C(=O)NN",2,0,2,"Verify Name","2,6-dimethylpyridine-3,5-dicarbohydrazide\n15420-54-9\nnsc409782\nac1l8bfk\ncambridgeid5317077\noprea1_075116\ndtxsid90325355\nmolport-002-144-367\nsdfqzxjrhyvplf-uhfffaoysa-n\nzinc297510\nakos003615899\nmcule-4279175890\nnsc-409782\nst50989414\nsr-01000204315\nsr-01000204315-1\n2,6-dimethyl-3,5-pyridinedicarboxylicaciddihydrazide\n2,6-dimethyl-pyridine-3,5-dicarboxylicacid,dihydrazide\n",null,null,0]
[4078,"quinoxaline-1,4-dihydro-2,3-dione","15804-19-0",null,"O=c1c([nH]c2c([nH]1)cccc2)=O",null,"Oc1c(nc2c(n1)cccc2)O",2,0,2,"Verify Name","2,3-dihydroxyquinoxaline\n15804-19-0\nquinoxaline-2,3-diol\nquinoxaline-2,3(1h,4h)-dione\n2,3-quinoxalinediol\n1,4-dihydro-2,3-quinoxalinedione\n2,3-quinoxalinedione,1,4-dihydro-\nusafek-6232\n1,4-dihydroquinoxaline-2,3-dione\n2,3(1h,4h)-quinoxalinedione\nquinoxaline,2,3-dihydroxy-\nnsc8698\neinecs239-901-0\n6287-20-3\nunii-apo55iz9e1\napo55iz9e1\n1,2,3,4-tetrahydroquinoxaline-2,3-dione\nai3-03736\nchembl282672\n2,3[1h,4h]-quinoxalinedione\nabjfbjggljvmaq-uhfffaoysa-n\n1,4-dihydro-quinoxaline-2,3-dione\n1,3-quinoxalinedione\nquinoxaline,3-dihydroxy-\nwln:t66bnenjcqdq\nhydroxyquinoxalone\nacmc-209xgn\n2,3-quinoxalinediol\nac1l1dby\n2,3-dihydroxyphenpiazine\nacmc-1b2h3\nksc497g8n\nmls000681641\nschembl239920\nac1q79c4\naronis014393\njsp003131\n2,3-dihydroxyguinoxaline\ndtxsid9065946\n2,3-dihydroxyquinoxaline,98%\nctk3j7386\nks-00000mlg\n1,4-dihydrochinoxalin-2,3-dion\nnsc8698\nnsc9431\nquinoxalin-2,3(1h,4h)-dione\n2,3(1h,4h)-quinoxalinedione\nmolport-001-014-347\nmolport-003-355-864\nhms2750h11\nkuc106696n\nnsc-8698\nnsc-9431\n1,4-dihydroquinoxaline-2,3-dione\n8041af\nanw-21746\nanw-47637\nbbl004435\nbbl009202\nbdbm50008752\nccg-49235\nmfcd00006723\nsbb000138\nstk264174\nstl125448\nzinc18182210\nakos000503008\nakos001280678\ncd-1609\nfr-0857\nmcule-6753530638\nne10454\ntra0082560\nks-000044u8\nncgc00245941-01\n2(1h),3(4h)-quinoxalinedione\naj-70431\nak-45516\nbr-45516\ncj-15853\nen002618\nksc-11-207-7\nsmr000312325\nst003022\ndb-043375\nkb-124122\nkb-225273\nls-143031\nrt-003816\nst2419841\nam20070315\nbb0242095\nbb0258963\nd1010\neu-0000335\nft-0609673\nft-0609674\nft-0691401\ntl80090686\nw3434\nk-4961\n804d190\naa-516/30054034\nsr-01000391115\nsr-01000391115-1\nsr-01000391115-2\nw-107998\ni14-14899\nf0266-0994\ninchi=1/c8h6n2o2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4h,(h,9,11)(h,10,12\n",null,null,1]
[4083,"Galactaric acid, diethyl ester","15909-67-8","CCOC(=O)C(O)C(O)C(O)C(O)C(=O)OCC",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,1]
[4091,"Zinc Lactate","16039-53-5","CC(O)C(=O)O",{"$nulls":3},1,0,3,"Search at least one confirmation",null,"Organic counterion","Checked on PubChem",0]
[4108,"Succinic acid, 2-allyl-3-methyl-, erythro-","16631-06-4",null,null,"C=CCC(C(=O)O)C(C)C(=O)O","C=CCC(C(=O)O)C(C)C(=O)O",2,0,2,"Search at least one confirmation",{"$nulls":3},1]
[4111,"…-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethyli","16713-80-7",null,"CC(=O)OC1C2C(OC1C3OC(OC3)(C)C)OC(C)(C)O2",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,0]
[4118,"Sulfanilamide, N1-(4-amino-2-pyrimidinyl)-","16806-00-1","Nc1ccc(cc1)S(=O)(=O)Nc2nc(ccn2)N",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4119,"benzenesulfonamide,4-amino-n-1,3,4-thiadiazol-2","16806-29-4",null,"Nc1ccc(cc1)S(=O)(=O)Nc2scnn2",null,"Nc1ccc(cc1)S(=O)(=O)Nc2scnn2",2,0,2,"Verify Name","4-amino-n-(1,3,4-thiadiazol-2-yl)benzenesulfonamide\n16806-29-4\nchembl286737\nateaasnfytuaru-uhfffaoysa-n\n4-amino-n-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide\nnsc35261\nac1l5sxb\nac1q6w3d\nschembl282714\nmolport-000-876-474\nzinc1667535\nbdbm50034417\nnsc-35261\nakos000205626\nne45475\n4-amino-n-[1,3,4]thiadiazol-2-yl-benzenesulfonamide\nbenzenesulfonamide,4-amino-n-1,3,4-thiadiazol-2-yl-\nn-(1,3,4-thiadiazole-2-yl)-4-aminobenzenesulfonamide\n",null,null,1]
[4120,"2-Furanacetic acid, tetrahydro-2-methyl-5-oxo-,","16807-50-4",null,"CCOC(=O)CC1(OC(CC1)=O)C",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[4129,"2,4,6(1h,3h,5h)-pyrimidinetrione,5-(3-methylbut","17013-42-2",null,"CCCC1(C(NC(NC1=O)=O)=O)CCC(C)C",null,"CCCC1(C(NC(NC1=O)=O)=O)CCC(C)C",2,0,2,"Verify Name","barbituricacid,5-isopentyl-5-propyl-\n17013-42-2\n5-isopentyl-5-propylbarbituricacid\nnsc120840\nbrn0021745\n2,4,6(1h,3h,5h)-pyrimidinetrione,5-(3-methylbutyl)-5-propyl-\nnsc120840\nac1l3cke\nisoamyl-propyl-barbitursaure\nchembl3276726\ndtxsid50168806\nzinc1710350\nnsc-120840\nls-24565\n5-(3-methylbutyl)-5-propylbarbituricacid\n5-(3-methylbutyl)-5-propyl-1,3-diazinane-2,4,6-trione\n2,6(1h,3h,5h)-pyrimidinetrione,5-(3-methylbutyl)-5-propyl-\n2,4,6(1h,3h,5h)-pyrimidinetrione,5-(3-methylbutyl)-5-propyl-(9ci)\n",null,null,0]
[4138,"Benzenesulfonamide, 4-amino-N-5-pyrimidinyl-","17103-48-9","Nc1ccc(cc1)S(=O)(=O)Nc2cncnc2",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[4142,"Benzenesulfonamide, 4-amino-N-(methylfurazanyl)-","17103-53-6","Cc1c(non1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4153,"Butanoic acid, 2-hydroxy-1,3-propanediyl ester","17364-00-0",null,null,"CCCC(=O)OCC(O)COC(=O)CCC",null,1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[4155,"Acetone, 4-(p-nitrophenyl)semicarbazone","17433-87-3","CC(C)=NNC(=O)Nc1ccc(cc1)[N+](=O)[O-]",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[4163,"benzenesulfonamide,5-amino-2-[(4-aminophenyl)su","17615-73-5",null,"Nc1ccc(cc1)S(=O)(=O)c2c(cc(cc2)N)S(N)(=O)=O",null,"Nc1ccc(cc1)S(=O)(=O)c2c(cc(cc2)N)S(N)(=O)=O",2,0,2,"Verify Name","sulfamoyldapsone\nsdds\n17615-73-5\nmetanilamide,6-sulfanilyl-\n6-(p-anilinosulfonyl)metanilamide\n2-sulfamonyl-4,4'-diaminophenylsulfone\n5-amino-2-(4-aminophenyl)sulfonylbenzenesulfonamide\nbrn3435880\n2-sulfamonyl-4,4'-diaminodiphenyl-sulfone\n5-amino-2-[(4-aminophenyl)sulfonyl]benzenesulfonamide\n5-amino-2-sulfanilyl-benzenesulfonicacidamide\n6-sulfanilylmetanilamide\nac1q6tpi\n3-14-00-02271(beilsteinhandbookreference)\nac1l3d50\nchebi:81723\ndtxsid90170089\nzinc4217482\nakos015898826\nls-89890\nkb-244469\nc18387\ni09-1678\n5-amino-2-(4-aminophenyl)sulfonyl-benzenesulfonamide\nbenzenesulfonamide,5-amino-2-((4-aminophenyl)sulfonyl)-\nbenzenesulfonamide,5-amino-2-((4-aminophenyl)sulfonyl)-(9ci)\n",null,null,0]
[4165,"1,2-Benzenedicarboxylic acid, mono(2-hydroxyethy","17689-42-8",null,"O=C(O)c1c(cccc1)C(=O)OCCO",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4170,"Oxanilic acid, 2',4'-dichloro-","17772-30-4",null,null,"O=C(O)C(=O)Nc1c(cc(cc1)Cl)Cl","O=C(O)C(=O)Nc1c(cc(cc1)Cl)Cl",2,0,2,"Search at least one confirmation",{"$nulls":3},0]
[4182,"2h-1-benzopyran-3-carboxamide,n,n-diethyl-2-oxo","18144-62-2",null,"CCN(CC)C(=O)c1c(oc2c(c1)cccc2)=O",null,"CCN(CC)C(=O)c1c(oc2c(c1)cccc2)=O",2,0,2,"Verify Name","n,n-diethyl-3-coumarincarboxamide\nbrn0216665\nn,n-diethyl-2-oxo-2h-1-benzopyran-3-carboxamide\ncoumarin-3-carboxylicaciddiethylamide\n2h-1-benzopyran-3-carboxamide,n,n-diethyl-2-oxo-\n18144-62-2\nac1l1gcs\noprea1_630092\noprea1_650749\n4-18-00-05572(beilsteinhandbookreference)\nctk4d7886\ndtxsid30171156\nmolport-002-143-449\nhms1580b03\nzinc208271\nakos002947719\nmcule-5903476929\nn,n-diethyl-2-oxochromene-3-carboxamide\nls-39074\nab00079752-01\nsr-01000203771\nsr-01000203771-1\n",null,null,1]
[4189,"1-Naphthalenesulfonic acid, 4- (2-hydroxy-1-naph","18268-54-7",{"$nulls":3},"O=S(=O)(O)c1c2c(c(cc1)N=Nc3c4c(ccc3O)cccc4)cccc2",1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,2]
[4196,"4,5-Isoxazoledione, 3-methyl-, 4-oxime","18438-56-7","CC=1C(C(ON1)=O)=NO",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[4198,"2-Cyclopenta[c]pyran-4-carboxylic acid, 1-( -D-g","18524-94-2",null,"COC(=O)C=1C2C(C(OC1)OC3C(C(C(C(O3)CO)O)O)O)C(C(C2)O)C",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,2]
[4216,"acetamide,n-4-(2-pyridinylamino)sulfonylphen","19077-98-6",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2",2,0,2,"Verify Name","acetylsulfapyridine\n19077-98-6\nn-acetylsulfapyridine\nunii-3cm4b5mzjp\nn-acetylsulfapyridine\nn(sup4)-acetylsulfapyridine\nccris6818\nc13h13n3o3s\nn4-acetylsulfapyridine\n2-(n4-acetylsulfanilamide)pyridine\n2-(n4-acetylsulfanilamido)pyridine\n4'-(2-pyridylsulphamoyl)acetanilide\neinecs242-802-5\n3cm4b5mzjp\nn-(4-(n-(pyridin-2-yl)sulfamoyl)phenyl)acetamide\nbrn0269306\nn-(4-((2-pyridinylamino)sulfonyl)phenyl)acetamide\nacetamide,n-(4-((2-pyridinylamino)sulfonyl)phenyl)-\nacetamide,n-[4-[(2-pyridinylamino)sulfonyl]phenyl]-\nacetanilide,4'-(2-pyridylsulfamoyl)-\nn-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide\nn-[4-(pyridin-2-ylsulfamoyl)-phenyl]-acetamide\nn-{4-[(2-pyridinylamino)sulfonyl]phenyl}acetamide\nn-[4-[(2-pyridinylamino)sulfonyl]phenyl]acetamide\nac1l1pg7\nac1q1kt6\noprea1_445484\noprea1_841941\n5-22-08-00426(beilsteinhandbookreference)\nmls000713508\nschembl547543\nchembl1507581\ndtxsid5066453\nctk8g1520\ncylyvxphaqlxfg-uhfffaoysa-n\nmolport-000-557-535\nhms2625k12\nzinc121280\nstk086492\nakos000673234\nmcule-1351284606\nacm19077986\nncgc00245166-01\nbas00627999\nls-10822\nsmr000272989\nst011814\nn-[4-(2-pyridylsulfamoyl)phenyl]acetamide\nn4-acetylsulfapyridine,analyticalstandard\nft-0661371\nn-{4-[(2-pyridylamino)sulfonyl]phenyl}acetamide\nn-{4-[(pyridin-2-yl)sulfamoyl]phenyl}acetamide\nae-842/30367013\nj-012323\nn-[4-[(2-pyridinylamino)sulfonyl]phenyl]-acetamide\n4invertedexclamationmark-(2-pyridylsulfamoyl)acetanilide\n",null,null,1]
[4219,"Benzenesulfonamide, 4-amino-N-2-pyridinyl-, N-ox","19250-24-9",null,"Nc1ccc(cc1)S(=O)(=O)N=c2n(cccc2)O",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4223,"1-Octanesulfonamide, N-(octylsulfonyl)-","19288-70-1","CCCCCCCCS(=O)(=O)NS(=O)(=O)CCCCCCCC",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[4225,"d-chiro-inositol,3-o-(2-amino-4-((carboxyiminom","19408-46-9",null,"CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(N)C(=O)O",null,"CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)NC(=N)C(=O)O",2,0,2,"Verify Name","kasugamycinhydrochloride\nkasumin\n19408-46-9\nunii-sxa18d440t\nkasugamycin,monohydrochloride\nsxa18d440t\nkasugamycinmonohydrochloride\nd-chiro-inositol,3-o-(2-amino-4-((carboxyiminomethyl)amino)-2,3,4,6-tetradeoxy-alpha-d-arabino-hexopyranosyl)-,monohydrochloride\nc14h25n3o9.hcl\n6980-18-3(parent)\n2-(((2r,3s,5s,6r)-5-amino-2-methyl-6-(((1r,2r,3s,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl)oxy)tetrahydro-2h-pyran-3-yl)amino)-2-iminoaceticacidhydrochloride\n3-o-[2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-d-arabino-hexopyranosyl]-d-chiro-inositol\nkasugamycinhcl\nsr-05000001429\nac1l3exb\ndsstox_cid_20739\ndsstox_rid_79582\ndsstox_gsid_40739\nschembl120126\nspectrum1505038\nchembl3186853\ndtxsid2040739\nmolport-003-666-575\nzdrbjjnxjosclr-yzkqbbccsa-n\nhms1923c17\ntox21_302236\nmfcd00058459\nakos027255145\nccg-214366\nkasugamycinhydrochloride,antibioticforculturemediauseonly\nncgc00164389-01\nncgc00255614-01\nas-13793\nls-84034\ncas-19408-46-9\ny1683\nj10330\n980k183\nq-201265\nsr-05000001429-2\nkasugamycinhydrochloridefromstreptomyceskasugaensis\nkasugamycinhydrochloride,vetranal(tm),analyticalstandard\nkasugamycinhydrochloridefromstreptomyceskasugaensis,>=90%(hplc)\n11014-57-6\n1135443-65-0\n12609-82-4\n2-[[(2r,3s,5s,6r)-5-amino-2-methyl-6-[(2r,3s,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]amino]-2-iminoaceticacid;hydrochloride\n2-amino-2-[(2r,3s,5s,6r)-5-amino-2-methyl-6-[(2s,3s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoaceticacidhydrochloride\n39080-40-5\nkasugamycin\nkasuminl\n6980-18-3\nkasuminl\nkasumin2l\nunii-o957uyb9dy\nhsdb6695\nbrn1403823\no957uyb9dy\nchebi:81419\nkasub\n6980-18-3(parent)\n(1s,2r,3s,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl2-amino-4-{[carboxy(imino)methyl]amino}-2,3,4,6-tetradeoxy-alpha-d-arabino-hexopyranoside\nd-chiro-inositol,3-o-(2-amino-4-((carboxyiminomethyl)amino)-2,3,4,6-tetradeoxy-alpha-d-arabino-hexopyranosyl)-\nksm\n19408-46-9\nsr-05000001429\nc14h25n3o9\neinecs234-260-3\nnsc100858\nac1l22qv\nschembl70535\nchembl1631109\ndtxsid1040374\nschembl12858482\nschembl16011710\npvthjapfenjvnc-mhrbzppqsa-n\nhms2089a11\n78822-08-9(sulfatesalt)\nzinc4216682\n19408-46-9(mono-hydrochloride)\nakos016006621\nakos025310863\nzinc100042889\nzinc100045947\n11030-24-3\n3-o-(2-amino-4-((carboxyiminomethyl)amino)-2,3,4,6-tetradeoxy-alpha-d-arabino-hexopyranosyl)-d-chiro-inositolsulphate\naj-48990\nls-84033\nsc-14174\n11030-24-3(unspecifiedsulfatesalt)\nx6751\n101651-86-9(unspecifiedphosphatesalt)\nc17968\nsr-05000001429-1\n10022-21-6\n11025-67-5\n1135443-26-3\n16982-49-3\n2-((2r,3s,5s,6r)-5-amino-2-methyl-6-((1s,2r,3s,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyloxy)tetrahydro-2h-pyran-3-ylamino)-2-iminoaceticacid\n2-[[(2r,3s,5s,6r)-5-amino-2-methyl-6-[(2r,3s,5s,6s)-2,3,4,5,6-pentahydroxycyclohexoxy]tetrahydropyran-3-yl]amino]-2-imino-aceticacid\n2-amino-2-[(2r,3s,5s,6r)-5-amino-2-methyl-6-[(2r,3s,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoaceticacid\n3-o-[2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-alpha-d-arabino-hexopyranosyl]-d-chiro-inositol\nksg\nkasugamycinhydrochloridehydrate\nunii-5a9bn7v7ql\nkasugamycin(hydrochloridehydrate)\nkasugamycinhydrochloridemonohydrate\n5a9bn7v7ql\n200132-83-8\n19408-46-9\nschembl69506\nctk8e9412\nhy-b1864b\nakos030526701\ncs-5263\nd-chiro-inositol,3-o-(2-amino-4-((carboxyiminomethyl)amino)-2,3,4,6-tetradeoxy-alpha-d-arabino-hexopyranosyl)-,hydrochloride,hydrate(1:1:1)\ntr-031288\n408k469\n19408-46-9\nschembl674306\n","Stereochemistry removed",null,0]
[4232,"carbamicacid,(3-dimethylaminopropyl)thio-,s-e","19622-19-6",null,"CCSC(=O)NCCCN(C)C",null,"CCSC(=O)NCCCN(C)C",2,0,2,"Verify Name","prothiocarbhydrochloride\nunii-1s4a9phg13\nprevicur\ndynone\n19622-19-6\n1s4a9phg13\neinecs243-193-9\nsn-41703\nprothiocarbhcl\ns-ethyln-(dimethylaminopropyl)thiocarbamatehydrochloride\ns-ethyln-(3-dimethylaminopropyl)thiolcarbamatehydrochloride\ncarbamicacid,(3-dimethylaminopropyl)thio-,s-ethylester,hydrochloride\nn-(3-dimethylaminopropyl)-thiocarbaminsaeure-s-aethylester-hydrochlorid[german]\ncarbamicacid,(3-(dimethylamino)propyl)thio-,s-ethylester,monohydrochloride\nschembl163964\n19622-08-3(parent)\nn-(3-dimethylaminopropyl)-thiocarbaminsaeure-s-aethylester-hydrochlorid\nacm19622196\ns-ethyl3-(dimethylamino)propylcarbamothioatehydrochloride\ns-ethyln-[3-(dimethylamino)propyl]carbamothioate;hydrochloride\nn-(3-dimethylaminopropyl)-thiocarbamicacid-s-ethylesterhydrochloride\n",null,null,0]
[4241,"3-pyridinecarbonitrile,6-chloro-1,2-dihydro-4-h","19867-18-6",null,"N#Cc1c(cc([nH]c1O)Cl)=O",null,"N#Cc1c([nH]c(cc1O)Cl)=O",2,0,2,"Verify Name","19867-18-6\nunii-t4c1gmk8dh\nt4c1gmk8dh\n6-chloro-2-hydroxy-4-oxo-1h-pyridine-3-carbonitrile\n1h-pyridine-3-carbonitrile,6-chloro-2-hydroxy-4-oxo-\n6-chloro-2,4-dihydroxy-nicotinonitrile\n6-chloro-1,2-dihydro-4-hydroxy-2-oxo-3-pyridinecarbonitrile\nnsc409914\nnsc409914\nac1l3feq\nac1q4qwg\nctk0h8683\ndtxsid00173622\n6-chloro-2-hydroxy-4-oxo-1,4-dihydropyridine-3-carbonitrile\n2,4-dioxy-3-cyan-6-chlorpyridin\nakos027382959\nnsc-409914\n3-pyridinecarbonitrile,6-chloro-1,2-dihydro-4-hydroxy-2-oxo-\n",null,null,0]
[4242,"Propanoic acid, 3-hydroxy-2-methyl-, 2,3,3a,4,5,","19889-01-1",null,"C=C1C2C(OC1=O)C=C(CO)CCC=C(C)CC2OC(=O)C(C)CO",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,1]
[4249,"a-(2,2,2-trichloroethyl)styrene","20057-31-2",null,"C=C(CC(Cl)(Cl)Cl)c1ccccc1",null,"C=C(CC(Cl)(Cl)Cl)c1ccccc1",2,0,2,"Verify Name","tavron\n20057-31-2\n(4,4,4-trichlorobut-1-en-2-yl)benzene\nbenzene,(3,3,3-trichloro-1-methylenepropyl)-\njnhufdxywprklk-uhfffaoysa-n\n4,4,4-trichlorobut-1-en-2-ylbenzene\ndowco-221\nac1l3fjc\nac1q3gu9\nschembl10486356\nctk1a6275\ndtxsid00173869\nzinc66055310\nalpha-(2,2,2-trichloroethyl)styrene\nakos015961112\nfch1390305\nacm20057312\nft-0738165\nbenzene,(3,3,3-trichloro-1-methylenepropyl)\nc-23894\n",null,null,1]
[4254,"2-Butanol, 3,3-dimethyl-, (.+-.)-","20281-91-8",null,"CC(O)C(C)(C)C",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[4255,"3-Octanol, (.+-.)-","20296-29-1",null,"CCCCCC(O)CC",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4256,"phosphorodithioicacid,s-[2-(ethylsulfonyl)ethy","20301-63-7",null,"CCS(=O)(=O)CCSP(=S)(OC)OC",null,"CCS(=O)(=O)CCSP(=S)(OC)OC",2,0,2,"Verify Name","20301-63-7\nphosphorodithioicacid,s-(2-(ethylsulfonyl)ethyl)o,o-dimethylester\nthioometonsulfone\n2-ethylsulfonylethylsulfanyl-dimethoxy-sulfanylidene-phosphorane\nthiometon-sulfone\nac1l3ftx\nac1q6v2k\nctk1a3664\ndtxsid20174191\nakos030255054\nacm20301637\nthiometon-sulfone100ng/microlincyclohexane\n2-ethylsulfonylethylsulfanyl-dimethoxy-sulfanylidene-\n2-ethylsulfonylethylsulfanyl-dimethoxy-sulfanylidene-?^{5}-phosphane\n2-ethylsulfonylethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phos\n2-ethylsulfonylethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane\n",null,null,0]
[4257,"tripropyleneglycolmethylether","20324-33-8","COC(C)COC(C)COC(C)CO","COCC(C)OCC(C)OCC(C)O","COCC(C)OCC(C)OCC(C)O","COCC(C)OCC(C)OCC(C)O",3,1,0,"Verify Name","20324-33-8\ndowanol62b\n1-((1-((1-methoxypropan-2-yl)oxy)propan-2-yl)oxy)propan-2-ol\npropasolsolventtm\ntripropyleneglycolmonomethylether\n2-propanol,1-[2-(2-methoxy-1-methylethoxy)-1-methylethoxy]-\ndowanoltpmglycolether\neinecs243-734-9\nbrn1701854\n1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol\n1-[2-(2-methoxy-1-methylethoxy)-1-methylethoxy]propan-2-ol\n1-(2-(2-methoxy-1-methylethoxy)-1-methylethoxy)propan-2-ol\n1-[2-(2-methoxy-1-methylethoxy)-1-methylethoxy]-2-propanol\n2-propanol,1-(2-(2-methoxy-1-methylethoxy)-1-methylethoxy)-\nw-110519\n1-(2-(2-methoxy-1-methylethoxy)-1-methylethoxy)-2-propanol\n1-(1-(1-methoxypropan-2-yloxy)propan-2-yloxy)propan-2-ol\ntripropyleneglycolmonomethylether\nac1l1iu3\nschembl16191\ndtxsid6021616\nctk7b2618\nks-00000zoh\nhpfdgtfxavivth-uhfffaoysa-n\nmolport-006-123-240\n0409ab\nakos016010414\ntripropyleneglycolmonomethylether;96%\nrl02526\nak116133\nan-18521\nax8155752\nkb-212259\nls-122463\nft-0735023\nst24026795\na814440\n1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-propanol\n1-((1-((1-methoxypropan-2-yl)oxy)-propan-2-yl)oxy)propan-2-ol\n1-[2-(2-methoxy-1-methyl-ethoxy)-1-methyl-ethoxy]propan-2-ol\n1[2-(2-methoxy-1-methylethoxy)-1-methylethoxy]-2-propanol\n109201-64-1\n1335-22-4\n",null,null,1]
[4260,"Hydracrylic acid, propyl ester, acetate","20473-73-8","CCCOC(=O)CCO",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4261,"Hydracrylic acid, pentyl ester, acetate","20473-77-2","CCCCCOC(=O)CCO",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4273,"5-pyrimidineaceticacid,1,2,3,4-tetrahydro-2,4-","20763-91-1",null,"O=C(O)Cc1c([nH]c([nH]c1)=O)=O",null,"O=C(O)Cc1c([nH]c([nH]c1)=O)=O",2,0,2,"Verify Name","20763-91-1\nuracil-5-ylaceticacid\nzvgodtquyakzmk-uhfffaoysa-n\n(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)aceticacid\n5-pyrimidineaceticacid,1,2,3,4-tetrahydro-2,4-dioxo-\n(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)aceticacid\n5-pyrimidineaceticacid,1,2,3,4-tetrahydro-2,4-dioxo-\n2-(2,4-dioxo-1,3-dihydropyrimidin-5-yl)aceticacid\n5cmura\nnsc169680\nuracil-5-aceticacid\n5-(carboxymethyl)uracil\nac1l6sj7\nschembl1227718\nctk1a7910\ndtxsid50305198\nmolport-002-017-674\nzinc1678487\nzx-cm004305\nfch862485\nsbb019364\nstk661731\nakos000111451\nakos023623801\nakos023623802\nakos023623805\nakos023623806\nakos023623807\nmcule-6693782917\nnsc-169680\nacm20763911\naj-29532\ndb-066315\nst4147993\nbb0238579\nft-0764103\n2-(2,4-dioxo-1h-pyrimidin-5-yl)aceticacid\ny-4102\n(2,4-dioxo-1,3-dihydropyrimidin-5-yl)aceticacid\n(2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-aceticacid\n2-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)aceticacid\n2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)aceticacid\ninchi=1/c6h6n2o4/c9-4(10)1-3-2-7-6(12)8-5(3)11/h2h,1h2,(h,9,10)(h2,7,8,11,12\n",null,null,1]
[4277,"1,2-Hexanediol, 2-butyl-1phenyl-","20805-11-2","CCCCC(O)(CCCC)C(O)c1ccccc1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4278,"1,3-Propanediol, 2-nitro-2- (nitrooxy)methyl -,","20820-44-4",{"$nulls":3},"O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])[N+](=O)[O-]",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4284,"2(3H)-THIOPHENONE","20893-64-5","O=C1SC=CC1",{"$nulls":3},1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",0]
[4285,"Thiourea, N,N''-methylenebis-","20939-13-3",null,null,"N=C(S)NCNC(=N)S","N=C(S)NCNC(=N)S",2,0,2,"Search at least one confirmation",{"$nulls":3},0]
[4299,"Acetamide, N-(1,3-dihydro-1-oxo-6-isobenzofurany","21626-90-4",{"$nulls":3},"CC(=O)Nc1cc2c(cc1)COC2=O",1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4303,"aceticacid,1-(3,4-dichlorophenyl)-2,2,2-trichl","21757-82-4",null,"CC(=O)OC(c1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl",null,"CC(=O)OC(c1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl",2,0,2,"Verify Name","acetofenate\nplifenate\nplifenat\n21757-82-4\npenfenate\nbaygonmeb\nbenzethazet\nbaymeb6046\n2,2,2-trichloro-1-(3,4-dichlorophenyl)ethylacetate\nmeb-6046\nfsgnovkgexrrhd-uhfffaoysa-n\neinecs244-573-7\n2,2,2-trichloro-1-(3,4-dichlorophenyl)ethanolacetate\nmb6046\nbrn2466230\nethanol,1-(3,4-dichlorophenyl)-2,2,2-trichloro-,acetate\nai3-29252\n3,4-dichloro-alpha-(trichloromethyl)benzylacetate\n[2,2,2-trichloro-1-(3,4-dichlorophenyl)ethyl]acetate\nbenzenemethanol,3,4-dichloro-alpha-(trichloromethyl)-,acetate\nbenzenemethanol,3,4-dichloro-.alpha.-(trichloromethyl)-,acetate\n66717-63-3\n(+)-penfenate\n(?)-penfenate\nac1l3h0j\nschembl432607\nctk8e3445\nakos015888398\nacm21757824\n66682-06-2\nls-66659\ntr-010215\nft-0630476\nplifenat,pestanal(r),analyticalstandard\n3,4-dichloro-|a-(trichloromethyl)benzylacetate\n4-06-00-03052(beilsteinhandbookreference)\nc-20221\nj-014278\n2,2,2-trichloro-1-(3,4-dichlorophenyl)ethylacetate\ni01-10254\n1-(3,4-dichlorophenyl)-2,2,2-trichloro-ethylacetate\n3,4-dichloro-alpha-(trichloromethyl)benzenemethylacetate\n3,4-dichloro-alpha-(trichloromethyl)benzylacetate(8ci)\nbenzylalcohol,3,4-dichloro-alpha-(trichloromethyl)-,acetate\n3,4-dichloro-alpha-(trichloromethyl)benzenemethylacetate(9ci)\nbenzenemethanol,3,4-dichloro-alpha-(trichloromethyl)-,acetate(9ci)\nbenzylalcohol,3,4-dichloro-alpha-(trichloromethyl)-,acetate(8ci)\n",null,null,1]
[4310,"Butanedioic acid, [(ethoxythioxomethyl)thio]-","22119-15-9","CCOC(=S)SC(CC(=O)O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[4318,"Tetrachlorvinphos (E-isomer)","22350-76-1",{"$nulls":3},"COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl",1,0,3,"Search at least two confirmations",null,"Stereochemistry removed, Isomeric mix",null,2]
[4325,"methanesulfonamide,n-phenyl-n-((1,1,2,2-tetrach","22729-75-5",null,"CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)c1ccccc1",null,"CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)c1ccccc1",2,0,2,"Verify Name","arborenf11\nstaufferr10044\nbrn2877693\n22729-75-5\neinecs245-180-3\nr-10044\nai3-27512\nn-((tetrachloro-2-fluoroethyl)thio)methanesulfoanilide\nn-(2-fluoro-1,1,2,2-tetrachloroethylthio)-methanesulfoanilide\nmethanesulfonamide,n-phenyl-n-[(1,1,2,2-tetrachloro-2-fluoroethyl)thio]-\nmethanesulfonamide,n-phenyl-n-((1,1,2,2-tetrachloro-2-fluoroethyl)thio)-(9ci)\nmethanesulfonanilide,n-((tetrachloro-2-fluoroethyl)thio)-\nn-phenyl-n-((1,1,2,2-tetrachloro-2-fluoroethyl)thio)methanesulphonamide\nmethanesulfonamide,n-phenyl-n-((1,1,2,2-tetrachloro-2-fluoroethyl)thio)-\nac1l3ini\nac1q3gxd\nschembl8052348\nctk4f0044\ndtxsid60177262\nn-phenyl-n-[thio]methanesulphonamide\nls-90295\nmethanesulfonamide,n-((1,1,2,2-tetrachloro-2-fluoroethyl)thio)-\nmethanesulfonamide,n-((1,1,2,2-tetrachloro-2-fluoroethyl)thio)-(8ci)\nmethanesulfonamide,n-phenyl-n-[(1,1,2,2-tetrachloro-2-fluoroethyl)thio]-\nn-phenyl-n-(1,1,2,2-tetrachloro-2-fluoroethyl)sulfanylmethanesulfonamide\nn-phenyl-n-[(1,1,2,2-tetrachloro-2-fluoroethyl)thio]methanesulfonamide\n",null,null,0]
[4326,"Benzenepropanoic acid, 2-nitro-.beta.-oxo-","22751-16-2","O=C(O)CC(=O)c1c(cccc1)[N+](=O)[O-]",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4329,"propanoicacid,2,2,3,3-tetrafluoro-,sodiumsal","22898-01-7",null,"O=C(O)C(F)(F)C(F)F",null,"O=C(O)C(F)(F)C(F)F",2,0,2,"Verify Name","tetrapion\nfrenock\nsodium2,2,3,3-tetrafluoropropionate\nflupropanatesodium\nfluopropanate-sodium\n22898-01-7\norga3045\nsodiumtetrafluoropropionate\nunii-84wnq700sk\nflupropanatesodium[iso:bsi]\neinecs245-311-4\n84wnq700sk\npropanoicacid,2,2,3,3-tetrafluoro-,sodiumsalt\npropionicacid,2,2,3,3-tetrafluoro-,sodiumsalt\npropanoicacid,2,2,3,3-tetrafluoro-,sodiumsalt(1:1)\nflupropanate-sodium\nac1q1vtg\nschembl514615\njsp004617\ndtxsid9066837\nctk7b6147\nmolport-001-777-375\nsbb088127\nakos003625106\nsodium2,2,3,3-tetrafluoropropanoate\nmcule-7247375697\ndb-023259\nls-124856\nft-0768098\n2,2,3,3-tetrafluoropropanoicacid,sodiumsalt\n92987-ep2305658a1\n58561-90-3\n",null,null,1]
[4333,"1h-imidazole-1-acetamide,2-nitro-n-(phenylmethy","22994-85-0",null,"O=C(Cn1c(ncc1)[N+](=O)[O-])NCc2ccccc2",null,"O=C(Cn1c(ncc1)[N+](=O)[O-])NCc2ccccc2",2,0,2,"Verify Name","benznidazole\nradanil\n22994-85-0\nbenzonidazole\nbenznidazol\nbenzonidazol\nbenznidazolum\nn-benzyl-2-nitroimidazole-1-acetamide\nro07-1051\nn-benzyl-2-nitroimidazol-1-yl-acetamide\nrochagan\nunii-yc42nrj1zd\nbenznidazol[inn-spanish]\nbenznidazolum[inn-latin]\nn-benzyl-2-nitro-1h-imidazole-1-acetamide\nro71051\nnsc299972\nbenznidazole[inn]\nccris2200\n2-nitro-n-(phenylmethyl)-1h-imidazole-1-acetamide\nimidazole-1-acetamide,n-benzyl-2-nitro-\n1h-imidazole-1-acetamide,2-nitro-n-(phenylmethyl)-\nyc42nrj1zd\nchembl110\nn-benzyl-2-nitro-1-imidazoleacetamide\nbrn0551486\nn-benzyl-2-(2-nitroimidazol-1-yl)acetamide\nacetamide,n-benzyl-2-(nitroimidazol-1-yl)-\nn-benzyl-2-(2-nitro-1h-imidazol-1-yl)acetamide\nbenznidazole(inn)\nnsc299972\nncgc00166238-01\ndsstox_cid_26570\ndsstox_rid_81729\ndsstox_gsid_46570\nsmr000857153\ncas-22994-85-0\n2-nitroimidazolebenznidazole\nragonil\nbenznidazole(tn)\nrochagan(tn)\nradanil(tn)\nro7-1051\nac1l1lxe\nac1q5awy\nbenznidazole[usan:inn]\nd04xgt\nschembl45081\nmls001332409\nmls001332410\nmls001360496\ndtxsid9046570\nctk8g1651\nzinc56949\nchebi:133833\nhms2233g13\nhms3369c11\ntox21_112364\nan-480\nbdbm50089916\nmmv688773\nakos015916722\nakos024283499\ntox21_112364_1\napi0004031\ndb11989\nmcule-5592629788\nnsc-299972\nro-7-1051\nacm22994850\nn-benzyl-2-nitro-imidazole-1-acetamide\n2-(2-nitroimidazolyl)-n-benzylacetamide\nncgc00166238-02\nak323200\nls-77966\nqc-10765\nst069365\nkb-279837\nft-0662547\nd02489\nn-benzyl-2-(2-nitro-imidazol-1-yl)-acetamide\nn-benzyl-2-(2-nitro-1himidazol-1-yl)acetamide\nn-benzyl-2-(2-nitro-1h-imidazol-5-yl)acetamide\nn-benzyl-2-nitro-1h-imidazole-1-acetamide,97%\nsr-01000841264\n2-(2-nitroimidazol-1-yl)-n-(phenylmethyl)acetamide\nj-014932\nsr-01000841264-3\nbrd-k56156805-001-05-4\ni14-52029\n1h-imidazole-1-acetamide,2-nitro-n-(phenylmethyl)-(9ci)\nn-benzyl-2-(2-nitro-imidazol-1-yl)-acetamide(benznidazole)\n",null,null,1]
[4335,"1h-purine-2,6-dione,7-ethyl-3,7-dihydro-1,3-dim","23043-88-1",null,"CCn1c2c(nc1)n(c(n(c2=O)C)=O)C",null,"CCn1c2c(nc1)n(c(n(c2=O)C)=O)C",2,0,2,"Verify Name","7-ethyltheophylline\nethyltheophylline\n7-ethyltheophylline\n23043-88-1\ntheophylline,7-ethyl-\nnsc515485\nunii-4ez53t6d01\n7-ethyl-1,3-dimethylxanthine\n4ez53t6d01\n7-ethyl-1,3-dimethyl-1h-purine-2,6(3h,7h)-dione\n1h-purine-2,6-dione,7-ethyl-3,7-dihydro-1,3-dimethyl-\n7-ethyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione\nethyltheophylline(van)\nethylteofyllin\nac1q6led\nschembl516014\nac1l3j06\nctk4f0749\ntheophylline,7-ethyl-(8ci)\ndtxsid00177605\nmolport-001-965-396\nrpoqnhmxopwcek-uhfffaoysa-n\n1h-purine-2,6-dione,7-ethyl-3,7-dihydro-1,3-dimethyl-\n1h-purine-2,6-dione,7-ethyl-3,7-dihydro-1,3-dimethyl-(9ci)\nnsc515485\nstk851615\nzinc15865845\nakos000722124\nmcule-1220584876\nnsc-515485\n7-ethyl-1,3-dimethylpurine-2,6-dione\nacm23043881\nbas01547066\nft-0668397\nst50296601\n1h-purine-2,7-ethyl-3,7-dihydro-1,3-dimethyl-\nj-014954\n7-ethyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione\n7-ethyl-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione\n7-ethyl-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione\n",null,null,1]
[4338,"1h-purine-2,6-dione,3,7-dihydro-7-(3-hydroxypro","23146-04-5",null,"Cn1c(n(c2c(c1=O)n(cn2)CCCO)C)=O",null,"Cn1c(n(c2c(c1=O)n(cn2)CCCO)C)=O",2,0,2,"Verify Name","gamma-ot\n7-(3-hydroxypropyl)theophylline\ntheophylline,7-(3-hydroxypropyl)-\n23146-04-5\nx991\n7-(gamma-hydroxypropyl)theophylline\neinecs245-453-7\nunii-q5wzc3h2ay\nnsc60290\nq5wzc3h2ay\nbrn0263353\n7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione\n3,7-dihydro-7-(3-hydroxypropyl)-1,3-dimethyl-1h-purine-2,6-dione\n7-(3-hydroxypropyl)-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione\n.gamma.-ot\nac1l3j3f\n4-26-00-02367(beilsteinhandbookreference)\nschembl9293406\n7-(3-hydroxypropyl)theophyline\nctk4f0977\ndtxsid80177724\n7-(3-hydroxypropyl)theophylline\nmolport-006-124-004\nnsc60290\nnsc-60290\nsbb037848\nzinc15884450\n1h-purine-2,6-dione,3,7-dihydro-7(3-hydroxypropyl)-1,3-dimethyl-(9ci)\nakos024284508\nmcule-5570019180\nacm23146045\nst077149\nls-149607\nwln:t56bndnfnvnvjb3qf1h1\n1h-purine-2,3,7-dihydro-7-(3-hydroxypropyl)-1,3-dimethyl-\n1h-purine-2,6-dione,3,7-dihydro-7(3-hydroxypropyl)-1,3-dimethyl-\n1h-purine-2,6-dione,3,7-dihydro-7-(3-hydroxypropyl)-1,3-dimethyl-\n",null,null,0]
[4347,"phosphonicacid,(1,6-hexanediylbis(nitrilobis(m","23605-74-5",null,"O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O",null,"O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O",2,0,2,"Verify Name","23605-74-5\nhdtmp\ndequest2051\nunii-8mub34nvui\neinecs245-781-0\n8mub34nvui\nbrn2405158\ndequest2051deflocculantandsequestrant\nhexamethylenediamine-n,n,n',n'-tetrakis(methylphosphonicacid)\n(1,6-hexanediylbis(nitrilobis(methylene)))tetrakisphosphonicacid\nphosphonicacid,(1,6-hexanediylbis(nitrilobis(methylene)))tetrakis-\nphosphonicacid,[1,6-hexanediylbis[nitrilobis(methylene)]]tetrakis-\n[6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonicacid\nhdtmphexapotassiumsalt\nhexamethylenebis(nitrilodimethylene)tetraphosphonicacid\n(hexane-1,6-diylbis(nitrilobis(methylene)))tetrakisphosphonicacid\nphosphonicacid,hexamethylenebis(nitrilodimethylene)tetra-(7ci,8ci)\nphosphonicacid,p,p',p'',p'''-(1,6-hexanediylbis(nitrilobis(methylene)))tetrakis-\n38820-59-6\nphosphonicacid,p,p',p'',p'''-[1,6-hexanediylbis[nitrilobis(methylene)]]tetrakis-\nc10h28n2o12p4\ndequest&reg;2054\nhexanediaminetetra(methylenephosphonicacid)\nac1q6rqw\n{hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonicacid)\nac1l3ji6\nschembl21984\ndtxsid9066916\nzinc31331564\nacm23605745\nan-17995\nls-106629\nft-0689124\nhexamethylene-diaminetetramethylenephosphonicacid\nc-46311\nj-015165\nn,n,n',n'-tetrakis(phosphonomethyl)-1,6-hexanediamine\n(hexane-1,6-diylbis(azanetriyl))tetrakis(methylene)tetraphosphonicacid\nhexamethylenediamine-n,n,n',n'-tetrakis(methylphosphonicacid)solution\n66300-27-4\n688321-31-5\nhexamethylenediamine-n,n,ninvertedexclamationmarka,ninvertedexclamationmarka-tetrakis(methylphosphonicacid)solution\nhexamethylenediamine-n,n,n',n'-tetrakis(methylphosphonicacid)solution,technical,~25%inh2o(t)\n",null,null,0]
[4351,"Benzenesulfonic acid, p-[(p-nitrophenyl)azo]-","23792-61-2","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)S(=O)(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[4352,"5-pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-","23945-44-0","O=C(O)C=1CNCNC1","O=C(O)c1c([nH]c([nH]c1)=O)=O",null,"O=C(O)c1c(nc(nc1)O)O",2,1,1,"Verify Name","2,4-dihydroxypyrimidine-5-carboxylicacid\n23945-44-0\nuracil5-carboxylicacid\nuracil-5-carboxylicacid\nisooroticacid\n5-carboxyuracil\n2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylicacid\n59299-01-3\n2,4-dihydroxy-5-pyrimidinecarboxylicacid\n5-uracilcarboxylicacid\n5-pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-2,4-dioxo-\nunii-g7jyk59ebr\ng7jyk59ebr\nuracil5-carboxylate\n2,4-dioxo-1h-pyrimidine-5-carboxylicacid\n5-pyrimidinecarboxylicacid,2,4-dihydroxy-\nchebi:17477\nzxyaavbxhkcjjb-uhfffaoysa-n\n5-carboxy-2,4-dihydroxypyrimidine\n2,4-dihydroxypyrimidine-5-carboxylicacid,98%\niso-oroticacid\n5cu\nnsc1589\neinecs245-947-2\npubchem9623\npubchem23556\nai3-22925\nac1q1gnb\nac1l3jp0\nksc202e0n\nksc900q5n\nschembl127493\naronis023305\nchembl1213478\ndtxsid1066942\nctk1a2206\nctk8a0856\n2,4-bis(hydroxymethyl)mesitylene\nnsc1589\nmolport-001-769-504\nmolport-001-790-814\nzinc901606\nacn-s004256\nact01411\nact06647\nalbb-025843\nbcp26875\ncs-d0802\nebd20912\nks-000004iq\nnsc-1589\nuracil-5-carboxylicacidmomohydrate\nabp001050\nanw-47850\nanw-51960\nbbl009640\nbbl012114\ncd-459\nmfcd00006023\nsbb005851\nstl068908\nstl140994\nwt2152\nakos000265273\nakos001717388\nakos023622403\nac-5978\nan-6557\nbs-3858\ncm14299\ngs-3379\nhp21319\nls20799\nmcule-1677566081\nrp21990\nrtr-011087\ntra0064088\nvz37004\n5-pyrimidinecarboxylicacid,4-dihydroxy-\n59299-01-3uracil-5-carboxylicacid\naj-24367\nak-25649\nbr-25649\nbr-51564\nhc210365\nkb-17601\no621\nsc-02776\nst074037\nsy008882\n2,4-dihydroxy-5-pyrimidnecarboxylicacid\n2,4-dihydroxy-pyrimidin-5-carboxylicacid\n2,4-dihydroxy-pyrimidine-5-carboxylicacid\n2,4-dihydroxypyrimidine-5-carboxylicacid\nab0016553\nab1004404\nkb-198455\nst1140951\ntr-011087\n2,4-dihydroxy-pyrimidine-5-carboxylicacid\n4ch-009756\nam20090262\nft-0620788\nft-0660533\nst24031984\nw7226\nks-00004661\na15402\nc03030\ns-1460\ns-1582\n16440-ep2281563a1\n16440-ep2316459a1\n2,4-dihydroxypyrimidine-5-carboxylicacid,95%\n945d440\ni03-0070\ni04-8312\nj-525151\nj-640163\nj-800166\nw-107367\nf2113-0110\nz1259162150\n1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinecarboxylicacid\n5-pyrimidinecarboxylicacid,2,3,4-tetrahydro-2,4-dioxo-\n5-pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-2,4-dioxo-\n5-pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-2,4-dioxo-\n5-pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-2,4-dioxo-,hydrate\n394-40-1\n76821-79-9\ninchi=1/c5h4n2o4/c8-3-2(4(9)10)1-6-5(11)7-3/h1h,(h,9,10)(h2,6,7,8,11\n",null,null,0]
[4356,"Benzoic acid, 3,5-dihydroxy-4-methoxy-, methyl e","24093-81-0",{"$nulls":3},"COC(=O)c1cc(c(c(c1)O)OC)O",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4359,"acetamide-2-chloro-n-(2,6-dimethylphenyl)-n-((2-","24353-58-0",null,"Cc1c(c(ccc1)C)N(COCC(C)C)C(=O)CCl",null,"Cc1c(c(ccc1)C)N(COCC(C)C)C(=O)CCl",2,0,2,"Verify Name","delachlor\ndelachlor[ansi]\ndelachlore[french]\n24353-58-0\ncaswellno.278aa\ndelachlor[ansi:iso]\ncp52223\nsp-52223\nsr-52223\nunii-xqz88t1a4a\n2-chloro-n-(isobutoxymethyl)-2',6'-acetoxylidide\nepapesticidechemicalcode278200\nnsc221681\nbrn4480418\nxqz88t1a4a\ncp-53619\n2-chloro-n-(isobutoxymethyl)-2',6'-acetoxylide\n2',6'-acetoxylidide,2-chloro-n-(isobutoxymethyl)-\nn-isobutoxymethyl-2-chloro-2',6'-dimethylacetanilide\n2-chloro-n-(2',6'-dimethylphenyl)-n-(isobutoxymethyl)acetamide\nn-isobutoxymethyl-2-chloro-n-(2',6'-dimethylphenyl)-acetamide\n2-chloro-n-(2,6-dimethylphenyl)-n-(2-methylpropoxymethyl)acetamide\n2-chloro-n-(2,6-dimethylphenyl)-n-((2-methylpropoxy)methyl)acetamide\nacetamide,2-chloro-n-(2,6-dimethylphenyl)-n-[(2-methylpropoxy)methyl]-\n39340-28-8\ndelachlore\nacetanilide,2-chloro-2',6'-dimethyl-n-isobutoxymethyl-\nacetamide,2-chloro-n-(2,6-dimethylphenyl)-n-((2-methylpropoxy)methyl)-\nac1l1nfr\nschembl135541\ndtxsid2041836\nchebi:82177\nctk4i1270\nbiqoedqvniywpq-uhfffaoysa-n\n2',6'-acetoxylidide,2-chloro-n-(isobutoxymethyl)-(8ci)\nnsc221681\n2',2-chloro-n-(isobutoxymethyl)-\nnsc-221681\nacetamide,2-chloro-n-(2,6-dimethylphenyl)-n-((2-methylpropoxy)methyl)-(9ci)\nacetamide-2-chloro-n-(2,6-dimethylphenyl)-n-((2-methylpropoxy)methyl)-(9ci)\nacm24353580\nls-10556\nc19050\nacetamide,6-dimethylphenyl)-n-[(2-methylpropoxy)methyl]-\n2-chloro-n-(2,6-dimethylphenyl)-n-(isobutoxymethyl)acetamide\n2-chloro-n-(2,6-dimethylphenyl)-n-(isobutoxymethyl)acetamide#\nacetamide-2-chloro-n-(2,6-dimethylphenyl)-n-((2-methylpropoxy)methyl)-\n",null,null,0]
[4361,"Thiocyanic acid, 1,2,3-propanetriyl ester","24487-40-9","N#CSCC(CSC#N)SC#N",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[4367,"cyclopentaneaceticacid,3-oxo-2-pentyl-,methyl","24851-98-7",null,"CCCCCC1C(CCC1=O)CC(=O)OC",null,"CCCCCC1C(CCC1=O)CC(=O)OC",2,0,2,"Verify Name","24851-98-7\nhedione\nmethyldihydrojasmonate\nmethyl2-(3-oxo-2-pentylcyclopentyl)acetate\nkharismal\ncyclopentaneaceticacid,3-oxo-2-pentyl-,methylester\nmethyl(3-oxo-2-pentylcyclopentyl)acetate\nfemano.3408\nmethyl3-oxo-2-pentylcyclopentaneacetate\nmethyl(2-pentyl-3-oxocyclopentyl)acetate\neinecs246-495-9\nmethyl3-oxo-2-pentyl-cyclopentaneacetate\nkvwwiygfbydjqc-uhfffaoysa-n\nak114175\ndihydrojasmonicacid,methylester\ndsstox_cid_9325\ndsstox_rid_78763\ndsstox_gsid_29325\n128087-96-7\n2-amylcyclopentan-1-one-3-aceticacidmethylester\nw-107278\ncas-24851-98-7\nmethyl2-(3-oxo-2-pentyl-cyclopentyl)acetate\ncepionate\ncyclopentaneaceticacid,3-oxo-2-pentyl-,methylester,(1r,2r)-\nhedione(mdj)\nmethyldihydrojasmonateextraepi(cis)\nspectrum_001583\nmethyldihydrojasmonate\nac1l2tpv\nspectrum2_000558\nspectrum3_001924\nspectrum4_001758\nspectrum5_000616\ndihydrojasmonicacidmethyl\nec246-495-9\nac1q6di3\nbspbio_003524\nkbiogr_002236\nkbioss_002063\nmls002696002\nschembl113649\nspectrum1504910\nspbio_000635\ncyc017\nchembl1530328\ndtxsid2029325\nctk8h8936\nkbio2_002063\nkbio2_004631\nkbio2_007199\nkbio3_002748\nmolport-002-506-946\nhms1617k17\nbb_nc-00203\ntox21_202172\ntox21_303588\nbbl009815\nccg-38726\nfd7202\nstk072613\nakos001683947\nds-6422\nmcule-7597345136\nsdccgmls-0066789.p001\nks-0000020u\nmethyl3-oxo-2-pentylcyclopentylacetate\nmethyl2-pentyl-3-oxo-cyclopentylacetate\nncgc00095846-01\nncgc00095846-02\nncgc00095846-03\nncgc00257324-01\nncgc00259721-01\nan-18724\nan-18887\nls-57824\nsmr000387079\nax8045218\nkb-255052\nmethyl2-(3-oxo-2-pentylcyclopentyl)acetate\neu-0083698\nft-0624961\nmethyl3-oxo-2-pentyl-1-cyclopentaneacetate\nunm000000712401\nsr-05000002474\nsr-05000002474-1\n3-oxo-2-pentyl-cyclopentane-aceticacidmethylester\nmethyldihydrojasmonate,mixtureofcisandtrans,>=96%,fg\nmethyldihydrojasmonate,mixtureofcisandtrans,analyticalstandard\n",null,null,1]
[4380,"P-I-PROPYLTOLUENE","25155-15-1",null,"Cc1c(cccc1)C(C)C",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4383,"2,4-D, ISOOCTYL ESTER","25168-26-7",null,"CCCCC(CC)COC(=O)COc1c(cc(cc1)Cl)Cl",null,"*C",1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4389,"Benzenesulfonamide, 4-(mannopyranosylamino)-","25318-84-7","NS(=O)(=O)c1ccc(cc1)NC2C(C(C(C(O2)CO)O)O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,0]
[4393,"DICHLOROBENZENE","25321-22-6","Clc1c(cccc1)Cl","Clc1c(cccc1)Cl",null,null,2,0,2,"Search at least one confirmation",{"$nulls":3},0]
[4395,"TRICHLOROETHANE","25323-89-1","CC(Cl)(Cl)Cl",null,"CC(Cl)(Cl)Cl",null,2,0,2,"Search at least one confirmation",null,null,"Checked on PubChem",0]
[4397,"1-<hydroxyimino-(seqtrans)>-1-phenyl-acetone","25355-34-4",null,"CC(=O)C(=NO)c1ccccc1",null,"CC(=O)C(=NO)c1ccccc1",2,0,2,"Verify Name","nsc32408\n25355-34-4\n29024-92-8\n(1e)-1-hydroxyimino-1-phenylpropan-2-one\nac1o4qxa\nschembl6839865\ndtxsid90423224\nmolport-042-623-865\n1-phenyl-1,2-propanedione1-oxime\nnsc-32408\nzinc17289024\n3-(hydroxyimino)-3-phenylpropan-2-one\n","Stereochemistry removed",null,1]
[4403,"METHYL ETHYL BENZENE","25550-14-5","CCc1c(cccc1)C","CCc1c(cccc1)C",null,null,2,0,2,"Search at least one confirmation",{"$nulls":3},0]
[4414,"IBP (IPROBENFOS)","26087-47-8",null,"CC(C)OP(=O)(OC(C)C)SCc1ccccc1",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4420,"CRESYL DIPHENYL PHOSPHATE","26444-49-5","Cc1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3ccccc3","Cc1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3ccccc3","*C","*C",2,0,2,"Search at least one confirmation",{"$nulls":3},0]
[4425,"DICHLOROPROPANE","26638-19-7","CCC(Cl)Cl",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4430,"Propanedioic acid, aminomethyl-","26767-88-4","NCC(C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[4433,"TETRACHLOROBIPHENYL","26914-33-0","Clc1c(c(c(c(c1)-c2ccccc2)Cl)Cl)Cl",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[4434,"ISOOCTYL ALCOHOL","26952-21-6","CC(C)CCCCCO",{"$nulls":3},1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[4435,"DICHLOROPROPENE","26952-23-8","CC=C(Cl)Cl",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4436,"butanoicacid,1,2-ethanediylbis(oxy-2,1-ethaned","26962-26-5",null,"CCCC(=O)OCCOCCOCCOC(=O)CCC",null,"CCCC(=O)OCCOCCOCCOC(=O)CCC",2,0,2,"Verify Name","2-[2-(2-butanoyloxyethoxy)ethoxy]ethylbutanoate\ntriethyleneglycoldibutyrate\n26962-26-5\nnsc13532\nac1l5dj8\nac1q68gd\nethane-1,2-diylbis(oxyethane-2,1-diyl)dibutanoate\nschembl4305344\nchembl2268569\nctk1a7411\ndtxsid40279637\nzinc4428651\nnsc-13532\ntriethyleneglycoldibutanoate\n",null,null,1]
[4438,"1h-purine-2,6-dione,3,9-dihydro-1,3,8,9-tetrame","27038-96-6",null,"Cc1n(c2c(n1)c(=O)n(C)c(=O)n2C)C",null,"Cc1n(c2c(n1)c(=O)n(C)c(=O)n2C)C",2,0,2,"Verify Name","1,3,8,9-tetramethyl-3,9-dihydro-1h-purine-2,6-dione\n27038-96-6\n1,3,8,9-tetramethylpurine-2,6-dione\nnsc162391\nac1l6lqd\nac1q6kbz\nctk4f8987\ndtxsid80303824\nnsc-162391\n1h-purine-2,6-dione,3,9-dihydro-1,3,8,9-tetramethyl-\n",null,null,1]
[4445,"Glycerol-.alpha.-nitrate","27321-61-5",null,"O=[N+]([O-])OCC(O)CO",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4452,"2-BUTANONE, 3-ETHOXY-1,1-DIHYDROXY-; OR KETHOXAL","27762-78-3",null,"CCOC(C)C(=O)C(O)O",null,null,1,0,3,"Search at least two confirmations",null,"Illegal Name",null,2]
[4455,"3-Pyrazoline-5-thione, 1,3-dimethyl-2-phenyl-","28022-64-2","Cc1n(n(c(c1)=S)C)-c2ccccc2",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4456,"ISOPROPYL PHENYL DIPHENYL PHOSPHATE","28108-99-8",null,"CC(C)c1c(cccc1)OP(=O)(Oc2ccccc2)Oc3ccccc3","*C(C)C","*C(C)C",1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4466,"DIISONONYL PHTHALATE","28553-12-0","CC(C)CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCC(C)C","CC(C)CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCC(C)C","*C","*C",2,0,2,"Search at least one confirmation",{"$nulls":3},0]
[4467,"Cyclobutanecarboxylic acid, 3-acetyl-2,2-dimethy","28587-41-9",{"$nulls":3},"CC(=O)C1C(C(C1)C(=O)O)(C)C",1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,2]
[4470,"1,2,3-Benzenetricarboxylic acid, 5-chloro-","29016-74-8","O=C(O)c1c(c(cc(c1)Cl)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[4481,"Benzoic acid, 3-brom-4-hydroxy-, methyl ester","29415-97-2",{"$nulls":3},"COC(=O)c1cc(c(cc1)O)Br",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4483,"L-Alanine, 3-(phenyldithio)-","29475-97-6","NC(CSSc1ccccc1)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,1]
[4485,"1-Naphthalenecarboxamide, N-hydroxy-N-phenyl-","29556-17-0","O=C(c1c2c(ccc1)cccc2)N(O)c3ccccc3",null,"O=C(c1c2c(ccc1)cccc2)N(O)c3ccccc3",null,2,0,2,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[4488,"Isovaline, N-formyl-, DL-","29588-10-1","CCC(C)(NC=O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[4490,"glycine,n-(dithiocarboxy)-,n-esterwithmercap","29677-65-4",null,"O=C(O)CNC(=S)SCC(=O)O",null,"O=C(O)CNC(=S)SCC(=O)O",2,0,2,"Verify Name","29677-65-4\n2-(carboxymethylsulfanylcarbothioylamino)aceticacid\nnsc85654\nac1mw91c\nschembl14466440\nctk4g3644\ndtxsid30395496\nzinc5410060\nnsc-85654\nakos030602386\nn-carboxymethylsulfanylthiocarbonyl-glycine\n2-(((carboxymethyl)carbamothioyl)thio)aceticacid\nglycine,n-(dithiocarboxy)-,n-esterwithmercaptoaceticacid(8ci)\n",null,null,1]
[4492,"ISODECYL DIPHENYL PHOSPHATE","29761-21-5","CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2","CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2","*C","*C",2,0,2,"Search at least one confirmation",{"$nulls":3},0]
[4495,"1,3,5-Triazine-2,4-diamine, N,N-diethyl-","29919-17-3","CCN(CC)c1nc(ncn1)N",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[4497,"1,2:3,4-DIEPOXYBUTANE (2S,3S)","30031-64-2",null,"C1C(O1)C2OC2",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,2]
[4499,"Ethane, 1-bromo-2-(ethylsulfonyl)-","30129-83-0","CCS(=O)(=O)CCBr",{"$nulls":3},1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[4501,"propanoicacid,2-(2,4,5-trichlorophenoxy)-,(r)","30365-50-5",null,"CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O",null,"CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O",2,0,2,"Verify Name","(+)-silvex\nfenoprop,(+)-\nunii-h2ul7n6zeb\n(2r)-2-(2,4,5-trichlorophenoxy)propanoicacid\nnsc-29461\nh2ul7n6zeb\n30365-50-5\n(r)-fenoprop\n(+)-fenoprop\n(+)-2-(2,4,5-trichlorophenoxy)propionicacid\nac1lemib\nac1q3mm7\nbidd:er0672\npropanoicacid,2-(2,4,5-trichlorophenoxy)-,(r)-\npropanoicacid,2-(2,4,5-trichlorophenoxy)-,(2r)-\npropionicacid,2-(2,4,5-trichlorophenoxy)-,d-(+)-\nctk8e0207\nzinc57638\ndtxsid50184445\nnsc29461\n(r)-2-(2,4,5-trichlorophenoxy)propanoicacid\npropanoicacid,4,5-trichlorophenoxy)-,(r)-\n(.+-.)-2-(2,5-trichlorophenoxy)propanoicacid\nunii-d2hzl58is3componentzlswblperhfhis-scsaibsysa-n\n","Stereochemistry removed",null,1]
[4505,"1,2:3,4-DIEPOXYBUTANE (2R,3R)","30419-67-1",null,"C1C(O1)C2OC2",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,2]
[4517,"Butanedioic acid, 2-hydroxy-2-phenyl-","30952-65-9","O=C(O)CC(O)(C(=O)O)c1ccccc1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[4523,"Ethane, [(iodomethyl)sulfonyl]-","31355-01-8","CCS(=O)(=O)CI",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4526,"2',3,4,4',5'-pcb","31508-00-6",null,"Clc1c(cc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",null,"Clc1c(cc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",2,0,2,"Verify Name","31508-00-6\n2,3',4,4',5-pentachlorobiphenyl\npcb118\n1,1'-biphenyl,2,3',4,4',5-pentachloro-\npcbno118\nbiphenyl,2,3',4,4',5-pentachloro-\npcb-118\nunii-2b2aqe8u50\n3,4,2',4',5'-pentachlorobiphenyl\nbrn2379471\n2b2aqe8u50\nchembl137264\nchebi:81520\niutpymgcwingey-uhfffaoysa-n\n1,2,4-trichloro-5-(3,4-dichlorophenyl)benzene\npcb118(2,3',4,4',5-pentachlorobiphenyl)\nac1l1ui7\npcbno.118\nschembl2279480\ndtxsid4032116\nctk4g7250\nzinc2521627\n2,4,5,3',4'-pentachlorobiphenyl\nbdbm50408366\n2',4,4',5,5'-pentachlorobiphenyl\n2,4,5,3',4'-pentachloro-biphenyl\nakos028110633\nls-1181\n2,3/',4,4/',5-pentachlorobiphenyl\nncgc00163737-01\npcbno.11810microg/mlinisooctane\n2,3',4,4',5-pentachloro-1,1'-biphenyl\n1,1'-biphenyl,2,3',4,4',5-pentachloro-\nc18118\nj-018444\ntoxicequivalencyfactorevaluation(pcb-118)\nunii-e20w17p8m3componentiutpymgcwingey-uhfffaoysa-n\n2,3invertedexclamationmarka,4,4invertedexclamationmarka,5invertedexclamationmarka-pentachlorobiphenyl\n",null,null,1]
[4533,"4-quinolinecarboxylicacid,1,2-dihydro-6-methox","32431-29-1",null,"COc1cc2c(cc1)[nH]c(=O)cc2C(=O)O",null,"COc1cc2c(cc1)[nH]c(=O)cc2C(=O)O",2,0,2,"Verify Name","32431-29-1\n2-hydroxy-6-methoxy-quinoline-4-carboxylicacid\n2-hydroxy-6-methoxyquinoline-4-carboxylicacid\n6-methoxy-2-oxo-1,2-dihydroquinoline-4-carboxylicacid\n6-methoxy-2-oxo-1h-quinoline-4-carboxylicacid\nbas04995096\nac1ld6p7\noprea1_538599\nmls000714657\nchembl1348104\nschembl15798322\nctk1c4899\nctk8e4053\ndtxsid30346524\natqxnyqczfmiky-uhfffaoysa-n\nmolport-001-999-548\nhms1680b15\nhms2682m15\nzinc8964400\n0228ae\nakos000507717\nakos016025443\nccg-123396\nmcule-3454690996\nacm32431291\naj-74089\ncc-10961\nsc-37870\nsmr000274636\nst080951\nax8013728\ndb-048211\nkb-173111\ntr-013634\nbb0216392\neu-0019899\nft-0639021\n2-hydroxy-6-methoxyquinoline-4-carboxylicacid\n2-hydroxy-6-methoxy-4-quinolinecarboxylicacid\nz-2246\na821267\nc-12035\nsr-01000539912\ni04-5780\nsr-01000539912-1\n1,2-dihydro-6-methoxy-2-oxoquinoline-4-carboxylicacid\n6-methoxy-2-oxo-1,2-dihydro-4-quinolinecarboxylicacid\n4-quinolinecarboxylicacid,1,2-dihydro-6-methoxy-2-oxo-\n4-quinolinecarboxylicacid,1,2-dihydro-6-methoxy-2-oxo-\n6-methoxy-2-oxidanylidene-1h-quinoline-4-carboxylicacid\n6-methoxy-2-oxo-1,2-dihydro-4-quinolinecarboxylicacid#\na2846/0120079\n2-hydroxy-6-methoxy-quinoline-4-carboxylicacid,aldrichcpr\n855275-99-9\n",null,null,0]
[4549,"3,3',4,4',5,5'-pcb","32774-16-6",null,"Clc1c(c(cc(c1)-c2cc(c(c(c2)Cl)Cl)Cl)Cl)Cl",null,"Clc1c(c(cc(c1)-c2cc(c(c(c2)Cl)Cl)Cl)Cl)Cl",2,0,2,"Verify Name","3,3',4,4',5,5'-hexachlorobiphenyl\n32774-16-6\npcb169\n3,4,5,3',4',5'-hexachlorobiphenyl\nhsdb3948\nunii-t2p1wh546d\n1,1'-biphenyl,3,3',4,4',5,5'-hexachloro-\npcb-169\nbiphenyl,3,3',4,4',5,5'-hexachloro-\n3,3',4,4',5,5'-hexachloro-1,1'-biphenyl\nbrn1990183\nt2p1wh546d\nchebi:81517\n1336-36-3\n3,4,5,3',4',5'-hexacoplanarpolychlorinatedbiphenyl\n1,2,3-trichloro-5-(3,4,5-trichlorophenyl)benzene\npcb169(3,3',4,4',5,5'-hexachlorobiphenyl)\n3,3/',4,4/',5,5/'-hexachlorobiphenyl\npolychlorinatedbiphenyls(pcbs)\nac1l1vcx\n3-05-00-01742(beilsteinhandbookreference)\nchembl14658\npcbno.169\nschembl2906064\ndtxsid2038314\nctk4g9260\nzhlicbpixdoffg-uhfffaoysa-n\nzinc2521572\n3,4,5,3',4',5'-hexachloro-biphenyl\nls-44407\npcbno.16910microg/mlinisooctane\nc18115\n1,1'-biphenyl,3,3',4,4',5,5'-hexachloro-\n3,4,5,3',4',5'-hexachloro-biphenyl(345hcb)\n1,1'-biphenyl,3,3',4,4',5,5'-hexachloro-(9ci)\nunii-416o992g98componentzhlicbpixdoffg-uhfffaoysa-n\n",null,null,1]
[4562,"2,3,4,5-pcb","33284-53-6",null,"Clc1c(c(c(c(c1)-c2ccccc2)Cl)Cl)Cl",null,"Clc1c(c(c(c(c1)-c2ccccc2)Cl)Cl)Cl",2,0,2,"Verify Name","2,3,4,5-tetrachlorobiphenyl\n33284-53-6\n2,3,4,5-tetrachloro-1,1'-biphenyl\n1,1'-biphenyl,2,3,4,5-tetrachloro-\nunii-392exd3sc9\npcb61\nbiphenyl,2,3,4,5-tetrachloro-\nchembl14328\n392exd3sc9\nchebi:34221\n1,2,3,4-tetrachloro-5-phenylbenzene\npcb61(2,3,4,5-tetrachlorobiphenyl)\nac1l1voo\nc14362\n1,1'-biphenyl,tetrachloro-\npcbno.61\nschembl404196\npcb-61\n2,3,4,5-tetrachloro-biphenyl\ndtxsid5074135\nctk4f8736\nhlqdgcwiosomdp-uhfffaoysa-\nhlqdgcwiosomdp-uhfffaoysa-n\nmolport-002-798-842\ntetrachloro-1,1'-biphenyl\nzinc2077484\nbdbm50408324\nmcule-6571119885\nacm26914330\nacm33284536\ncj-32785\npcbno.6110microg/mlinisooctane\nab-131/42300822\nunii-z34zc2k7q0componenthlqdgcwiosomdp-uhfffaoysa-n\ninchi=1/c12h6cl4/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15/h1-6h\n",null,null,1]
[4564,"BARBITURIC ACID, 5-ET,5-PR","33376-25-9",{"$nulls":3},"CCCC1(C(NC(NC1=O)=O)=O)CC",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4571,"3H-Naphtho[2,1-b]pyran-1-acetic acid, 3-oxo-","33739-01-4","O=C(O)Cc1c2c(oc(c1)=O)ccc3c2cccc3",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4587,"2-propenoicacid,7-bromo-5-chloro-8-quinolinyl","34462-96-9",null,"C=CC(=O)Oc1c2c(c(cc1Br)Cl)cccn2",null,"C=CC(=O)Oc1c2c(c(cc1Br)Cl)cccn2",2,0,2,"Verify Name","halacrinate\nhalacrinate[iso]\n34462-96-9\n5-chloro-7-bromo-8-quinolylvinylcarbonate\nunii-2pc0jj594n\neinecs252-049-4\ncga30599\nbrn1470063\n7-bromo-5-chloroquinolin-8-ylacrylate\n8-acryloyloxy-7-bromo-5-chloroquinoline\n2-propenoicacid,7-bromo-5-chloro-8-quinolinylester\n2pc0jj594n\nacriquinate\nhalacrinat\nac1l3g3z\nschembl160779\nac1q60j2\ndtxsid7042017\nchebi:82082\nacm34462969\nls-123578\n(7-bromo-5-chloroquinolin-8-yl)prop-2-enoate\n",null,null,1]
[4588,"HEXACHLORODIBENZO-P-DIOXIN","34465-46-8","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4591,"DIPROPYLENE GLYCOL METHYL ETHER","34590-94-8","COC(C)COC(C)CO","COC(C)COC(C)CO",null,null,2,0,2,"Search at least one confirmation",{"$nulls":3},1]
[4597,"Heptanedioic acid, 2,6-diethyl-","34833-00-6","CCC(CCCC(CC)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4598,"Butanedioic acid, 2-methyl-3-(1-methylethyl)-","34861-84-2","CC(C)C(C(=O)O)C(C)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4599,"3,4-Heptanediol, 3-ethyl-6-methyl-","34866-32-5","CCC(O)(CC)C(O)CC(C)C",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4602,"Propanoic acid, 2-hydroxy-2-methyl-, 1-methyleth","34900-10-2",{"$nulls":3},"CC(C)OC(=O)C(C)(C)O",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4603,"aceticacid,2,2',2''-[methylidynetris(thio)]tri","34914-39-1",null,"O=C(O)CSC(SCC(=O)O)SCC(=O)O",null,"O=C(O)CSC(SCC(=O)O)SCC(=O)O",2,0,2,"Verify Name","ritiometan\n34914-39-1\nunii-j89lm8qvee\nritiometan[inn]\n(methylidynetrithio)triaceticacid\nj89lm8qvee\n2,2',2''-[methylidynetris(thio)]trisaceticacid\nritiometan(inn)\n2,2',2''-(methylidynetris(thio))trisaceticacid\nritiometanum\nritiometanum[latin]\neinecs252-284-2\nac1q5wtc\nac1l23yq\nschembl867253\nchembl2105322\ndtxsid50188468\nchebi:136023\nzinc2019920\nacm34914391\nd07375\n2,2',2''-(methanetriyltris(thio))triaceticacid\n2-[bis(carboxymethylsulfanyl)methylsulfanyl]aceticacid\n",null,null,1]
[4619,"2,2',3,4,4'-pcb","35694-06-5",null,"Clc1cc(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",2,1,1,"Verify Name","2,2',3,4,4',5-hexachlorobiphenyl\n35694-06-5\npcb137\n1,1'-biphenyl,2,2',3,4,4',5-hexachloro-\nunii-x578739527\n1,2,3,4-tetrachloro-5-(2,4-dichlorophenyl)benzene\nx578739527\nac1l1xd0\nschembl4456776\ndtxsid0074138\nctk4h5176\npcb-137\nckllrbpbzltgdj-uhfffaoysa-n\nzinc2521560\n2,2',3,4',4,5-hexachlorobiphenyl\n2,2/',3,4,4/',5-hexachlorobiphenyl\nls-44401\npcbno.13710microg/mlinisooctane\n2,2',3,4,4',5-hexachloro-1,1'-biphenyl\n1,1'-biphenyl,2,2',3,4,4',5-hexachloro-\npcb137(2,2',3,4,4',5-hexachlorobiphenyl)\nunii-416o992g98componentckllrbpbzltgdj-uhfffaoysa-n\n",null,null,1]
[4624,"PENTACHLORODIBENZO-P-DIOXIN","36088-22-9",null,null,"Clc1c2c(ccc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl",null,1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[4629,"Benzene, 1,1'-oxybis-, hexabromo deriv.","36483-60-0","Brc1cc(c(c(c1)Br)Oc2c(c(cc(c2)Br)Br)Br)Br","Brc1cc(c(c(c1)Br)Oc2c(c(cc(c2)Br)Br)Br)Br",null,"*c1c(*)c(*)c(Oc2c(*)c(*)c(*)c(*)c2*)c(*)c1*",2,0,2,"Search at least one confirmation",{"$nulls":3},0]
[4632,"2-Methyl-3-hexyne","36566-80-0","CCC#CC(C)C",{"$nulls":3},1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[4634,"9-OCTADECENOIC ACID, 12-(SULFOOXY)-","36634-48-7","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O",null,"CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O",null,2,0,2,"Search at least one confirmation",null,null,"Checked on ChemID, Checked on PubChem",1]
[4655,"HEPTACHLORODIBENZO-P-DIOXIN","37871-00-4","Clc1c(c(c2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",{"$nulls":3},1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[4659,"5-pyrimidinecarboxylicaicd,1,2,3,4-tetrahydro-","38026-46-9",null,"CCOC(=O)c1c([nH]c([nH]c1)=S)=O",null,"CCOC(=O)c1c([nH]c([nH]c1)=S)=O",2,0,2,"Verify Name","5-carbethoxy-2-thiouracil\n38026-46-9\nethyl2-thiouracil-5-carboxylate\n5-ethoxycarbonyl-2-thiouracil\n2-mercapto-5-carbethoxyuracil\nethyl4-hydroxy-2-mercaptopyrimidine-5-carboxylate\nuracil,5-carbethoxy-2-thio-\nnsc11999\nethyl4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate\neinecs253-749-2\n5-carboethoxy-2-thiouracil\n5-pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-4-oxo-2-thio-,ethylester\n5-pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-4-oxo-2-thioxo-,ethylester\nai3-22945\n4-hydroxy-2-mercapto-5-pyrimidinecarboxylicacidethylester\n2-thioisooroticacidethylester\n5-pyrimidinecarboxylicacid,4-hydroxy-2-mercapto-,ethylester\nfqfshlbwruocpx-uhfffaoysa-n\n2-mercapto-6-oxo-1,6-dihydro-pyrimidine-5-carboxylicacidethylester\nethyl4-oxo-2-thioxo-1h-pyrimidine-5-carboxylate\nethyl2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carboxylate\nethyl4-hydroxy-2-sulfanylpyrimidine-5-carboxylate\nethyl6-oxo-2-thioxo-1,3-dihydropyrimidine-5-carboxylate\n5-pyrimidinecarboxylicacid,2,3,4-tetrahydro-4-oxo-2-thio-,ethylester\n5-pyrimidinecarboxylicacid,2,3,4-tetrahydro-4-oxo-2-thioxo-,ethylester\nac1leh0r\nmaybridge4_000365\nacmc-1bn94\nschembl1810204\nchembl3272429\nschembl18585976\nctk4h9153\nks-00001dmu\ndtxsid30191435\nnsc1584\nmolport-001-826-572\nmolport-003-909-291\nmolport-007-740-210\nhms1522a13\nbcp25539\ncs-b0229\nnsc-1584\nnsc11999\n3638ah\nanw-42238\nbbl002468\nccg-45725\nnsc-11999\nsbb056783\nstl087653\nzinc16971237\nakos001457140\nakos001922184\nakos024015190\nmcule-5033178862\nrp04242\nvz30294\nidi1_030947\nncgc00177658-01\nkb-73690\ndb-049227\nls-134863\n5-carbethoxy-4-hydroxy-2-mercaptopyrimidine\neu-0037696\nft-0613453\nst50307172\ny8931\n2-mercapto-4-hydroxy-5-ethoxycarbonylpyrimidine\na18706\nk-8323\nl-3513\nsr-01000428889\nethyl4-oxo-2-sulfanyl-3h-pyrimidine-5-carboxylate\ni09-3314\nj-521022\nj-640148\nj-800152\nsr-01000428889-1\nsr-01000635476-1\nbrd-k55244769-001-01-2\nethyl4-oxo-2-sulfanylidene-1h-pyrimidine-5-carboxylate\nf0913-0248\nf2145-0075\nethyl6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate\nethyl4-hydroxy-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate\nethyl4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate\nethyl4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate#\n5-pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-4-oxo-2-thioxo-,ethylester\n5-pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-4-oxo-2-thioxo-,ethylester\n5-pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-4-oxo-2-thioxo-,ethylester\n3346-79-0\n",null,null,0]
[4662,"biocozamycin","38129-37-2",null,"C=C1C2(C(NC(OCC1)(C(N2)=O)C(O)C(C)(O)CO)=O)O",null,"C=C1C2(C(NC(OCC1)(C(N2)=O)C(O)C(C)(O)CO)=O)O",2,0,2,"Verify Name","bicyclomycin\nbicozamycin\naizumycin\nbacteron\nbicozamicina\nbicozamycine\nbicozamycinum\nbacfeed\nantibiotic5879\nbicozamycin[inn]\nantibioticws4545\nbicozamycine[inn-french]\nbicozamycinum[inn-latin]\nbicozamicina[inn-spanish]\nunii-j03u9e2p82\neinecs253-795-3\nnsc180516\nws4545\nws-4545\ncgp354e\nj03u9e2p82\nfr1881\ncgp3543/e\n(1r*,6s*)-6-hydroxy-5-methylene-1-((1r*,2r*)-1,2,3-trihydroxy-2-methylpropyl)-2-oxa-7,9-diazabicyclo(4.2.2)decan-8,10-dione\n38129-37-2\nc12h18n2o7\n(1s,6r)-6-hydroxy-5-methylidene-1-[(1s,2s)-1,2,3-trihydroxy-2-methylpropyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione\nbdbm22600\ncgp3543e\nchebi:60584\ncgp-3543/e\nac1l2405\nzinc1481737\nls-43735\nc11259\n(1r,6s)-1-hydroxy-2-methylidene-6-[(1s,2s)-1,2,3-trihydroxy-2-methylpropyl]-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione\nbicyclomycin\nbicozamycin\n38129-37-2\n(1s,6r)-6-hydroxy-5-methylidene-1-[(1r,2s)-1,2,3-trihydroxy-2-methylpropyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione\ndtxsid8042636\nzinc4099040\nws4545\nbicyclomycin\nbicozamycin\nnsc180516\ncgp3543/e\n6-hydroxy-5-methylene-1-(1,2,3-trihydroxy-2-methylpropyl)-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione\n38129-37-2\nnsc-180516\nac1l8gsi\nchembl1976371\nschembl11210643\n1-hydroxy-2-methylene-6-(1,2,3-trihydroxy-2-methyl-propyl)-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione\n1-hydroxy-2-methylidene-6-(1,2,3-trihydroxy-2-methylpropyl)-5-oxa-8,10-diazabicyclo[4.2.2]decane-7,9-dione\nbicozamycin\n38129-37-2\n","Stereochemistry removed",null,1]
[4688,"5-Pyrimidineacetic acid, 1,2,3,4-tetrahydro-6-me","38580-22-2",{"$nulls":3},"Cc1c(c([nH]c([nH]1)=O)=O)CC(=O)O",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4690,"2-Propenoic acid, 3-(2-ethoxyphenyl)-, (Z)-","38624-46-3","CCOc1c(cccc1)C=CC(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,2]
[4691,"DIISOPROPYLNAPHTHALENE","38640-62-9","CC(C)c1c(c2c(cc1)cccc2)C(C)C",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4711,"DINOCAP","39300-45-3","CC=CC(=O)Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(C)(C)CC(C)(C)C",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,0]
[4718,"acetamide,2-cyano-n-methyl-n-(methylamino)carb","39615-79-7",null,"CNC(=O)N(C)C(=O)CC#N",null,"CNC(=O)N(C)C(=O)CC#N",2,0,2,"Verify Name","n,n'-dimethyl-n-cyanoacetylurea\n39615-79-7\n1,3-dimethylcyanoacethylurea\n2-cyano-n-methyl-n-(methylcarbamoyl)acetamide\nw-106416\nacetamide,2-cyano-n-methyl-n-((methylamino)carbonyl)-\nacetamide,2-cyano-n-methyl-n-[(methylamino)carbonyl]-\n2-cyano-n-methyl-n-[(methylamino)carbonyl]acetamide\nn-cyanoacetyl-n,n'-dimethyl-urea\n2-cyano-n-methyl-n-((methylamino)carbonyl)acetamide\neinecs254-541-4\n1,3-dimethyl(cyanoacetyl)urea\ncyanoacetyldimethylurea\nac1q5hwi\ncyanacetyldimethylharnstoff\nac1l557f\nschembl1032820\njsp006873\ndtxsid2068189\nctk6h9212\ndbeiamrypajzho-uhfffaoysa-n\n1,3-dimethylcyanoacetylurea\n1-(cyanoacetyl)-1,3-dimethylurea\nzinc2583678\nfch846395\nakos006278842\n",null,null,1]
[4720,"Acetamide, 2-(acetylamino)-N-phenyl-","39764-27-7","CC(=O)NCC(=O)Nc1ccccc1",null,"CC(=O)NCC(=O)Nc1ccccc1",null,2,0,2,"VErify correctness of CAS; Search at least one confirmation",{"$nulls":3},0]
[4722,"1h-purine-2,6-dione,1-ethyl-3,7-dihydro-3,7-dim","39832-36-5",null,"CCn1c(n(c2c(c1=O)n(cn2)C)C)=O",null,"CCn1c(n(c2c(c1=O)n(cn2)C)C)=O",2,0,2,"Verify Name","1-ethyltheobromine\n1-ethyltheobromine\n1-ethyl-3,7-dimethyl-xanthine\ntheobromine,1-ethyl-\nunii-9t24xxi18t\n39832-36-5\nnsc515486\nbrn0225307\n9t24xxi18t\n1-ethyl-3,7-dimethylpurine-2,6-dione\n1-ethyl-3,7-dihydro-3,7-dimethyl-1h-purine-2,6-dione\n1h-purine-2,6-dione,1-ethyl-3,7-dihydro-3,7-dimethyl-\nathyltheobromin\nnsc515486\nac1q6lfn\nac1l3pr7\n5-26-13-00562(beilsteinhandbookreference)\nschembl516446\nbdbm82033\nctk1c3203\n1-ethyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione\ndtxsid40192897\n1-ethylderivativeoftheobromine\nkrvvzpxpqupxje-uhfffaoysa-n\n1h-purine-2,6-dione,1-ethyl-3,7-dihydro-3,7-dimethyl-(9ci)\ncas_93219\nnsc_93219\nakos030618334\nnsc-515486\nls-149370\n1h-purine-2,1-ethyl-3,7-dihydro-3,7-dimethyl-\n1-ethyl-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione#\n",null,null,1]
[4723,"azinphos-ethyl,o-analog","39923-25-6",null,"CCOP(=O)(OCC)SCn1c(c2c(nn1)cccc2)=O",null,"CCOP(=O)(OCC)SCn1c(c2c(nn1)cccc2)=O",2,0,2,"Verify Name","39923-25-6\nphosphorothioicacid,o,o-diethyls-((4-oxo-1,2,3-benzotriazin-3(4h)-yl)methyl)ester\n3-(diethoxyphosphorylsulfanylmethyl)-1,2,3-benzotriazin-4-one\nethylgutoxon\noxoazinphos-ethyl\nazinphos-ethyloxone\nazinphos-ethyloxone\nethylazinphos\nai3-25611\nac1l3scf\nac1q6swa\nctk1c4303\ndtxsid20192971\nacm39923256\n",null,null,0]
[4724,"DL-Alanine, N-(2-furanylcarbonyl)-, ethyl ester","39978-21-7","CCOC(=O)C(C)NC(=O)c1occc1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[4725,"Ethyl 2-formamido-(phenylvinyl)acrylate","40078-42-0","CCOC(=O)C(=CC=Cc1ccccc1)NC=O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4731,"GLYPHOSATE-AMMONIUM","40465-66-5",null,"O=C(O)CNCP(=O)(O)O",null,null,1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[4750,"Decanebis(thioic) acid","41476-09-9",null,null,"O=C(S)CCCCCCCCC(=O)S","O=C(S)CCCCCCCCC(=O)S",2,0,2,"Search at least one confirmation",{"$nulls":3},1]
[4773,"1,2,3-Cyclopropanetricarboxylic acid","48126-70-1","O=C(O)C1C(C1C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[4776,"Acetic acid, 2,2',2''-[1,2,3-benzenetriyltris(ox","49629-98-3",{"$nulls":3},"O=C(O)COc1c(c(ccc1)OCC(=O)O)OCC(=O)O",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4777,"carbamicacid,(1,3-dioxo-1,3-propanediyl)bis-,","49754-15-6",null,"CCOC(=O)NC(=O)CC(=O)NC(=O)OCC",null,"CCOC(=O)NC(=O)CC(=O)NC(=O)OCC",2,0,2,"Verify Name","diethylmalonyldicarbamate\n49754-15-6\ncarbamicacid,(1,3-dioxo-1,3-propanediyl)bis-,diethylester\nak110238\ndiethyl(1,3-dioxopropane-1,3-diyl)biscarbamate\nethyln-(3-((ethoxycarbonyl)amino)-3-oxopropanoyl)carbamate\nethyln-{3-[(ethoxycarbonyl)amino]-3-oxopropanoyl}carbamate\nmalonyldiurethan\nmalonyidiurethane\nmalonyldiurethane\ndiethyl(1,3-dioxo-1,3-propanediyl)biscarbamate\nac1l4c0u\nschembl1413000\nctk1d6670\ndtxsid90198021\ndpopjtbomcsyaq-uhfffaoysa-n\nmolport-002-856-232\n(3-ethoxycarbonylamino-3-oxo-propionyl)-carbamicacidethylester\nks-00000pv6\nzinc4051629\n6751ab\nccg-55686\nakos005079989\nan-3281\nmcule-9732813860\naj-47826\nkb-01511\nsc-52289\nax8227762\ndiethyl(1,3-dioxo-1,3-propanediyl)biscarbamate\n12e-921\nethyln-[2-(ethoxycarbonylcarbamoyl)acetyl]carbamate\nsr-01000644700-1\nethyln-(3-((ethoxycarbonyl)amino)-3-oxopropanoyl)\nethyln-[3-(ethoxycarbonylamino)-3-oxo-propanoyl]carbamate\nethyln-[3-(ethoxycarbonylamino)-3-oxopropanoyl]carbamate\n(3-ethoxycarbonylamino-3-oxopropanyl)carbamicacidethylester\nethyln-(3-((rthoxycarbonyl)amino)-3-oxopropanoyl)carbamate\n",null,null,1]
[4778,"Octanebis(thioic) acid","49861-19-0",null,null,"O=C(S)CCCCCCC(=O)S","O=C(S)CCCCCCC(=O)S",2,0,2,"Search at least one confirmation",{"$nulls":3},1]
[4784,"ipt(isoprothiolane)","50512-35-1",null,"CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1",null,"CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1",2,0,2,"Verify Name","isoprothiolane\n50512-35-1\nfudiolan\nfujione\nipt(pesticide)\nfuji1\ndiisopropyl2-(1,3-dithiolan-2-ylidene)malonate\nnkk100\ndi-isopropyl1,3-dithiolane-2-ylidenemalonate\nisoprothiolane[bsi:iso]\nnnf-109\nbis(1-methylethyl)1,3-dithiolan-2-ylidenepropanedioate\ndiisopropyl1,3-dithiolan-2-ylidenemalonate\nfuji-one\nss11946\nunii-88hcs898g6\nipt\nbrn2128528\npropanedioicacid,1,3-dithiolan-2-ylidene-,bis(1-methylethyl)ester\ndipropan-2-yl2-(1,3-dithiolan-2-ylidene)propanedioate\nchebi:6047\nufhlmyogrxocsl-uhfffaoysa-n\n88hcs898g6\n1,3-dithiolan-2-ylidenepropanedioicacid,bis(1-methylethyl)ester\ndi(propan-2-yl)1,3-dithiolan-2-ylidenemalonate\ndiisopropyl2-(1,3-dithiolan-2-ylidene)propanedioate\npt(pesticide)\nschembl71267\nbidd:er0504\nchembl35280\nac1l227v\ndtxsid8058110\nctk8e5654\nufhlmyogrxocsl-uhfffaoysa-\nnnf109\nmolport-019-997-880\nc12h18o4s2\nisoprothiolane,analyticalstandard\nbis(1-methylethyl)1,3-dithiolan-2-ylidenepropanedioate(9ci)\nzinc1532162\nakos015898851\nacm50512351\naj-26755\nan-41464\nas-15491\ncc-29701\ncj-24157\np594\nax8014238\nisoprothiolane10microg/mlinacetonitrile\nisoprothiolane10microg/mlincyclohexane\nkb-251551\nls-120086\ntr-018044\nft-0630634\nc11111\nm-1326\ndiisopropyl2-(1,3-dithiolan-2-ylidene)malonate\n512i351\na828146\nc-18231\ndiisopropyl2-(1,3-dithiolan-2-ylidene)malonate#\ni09-2094\nbis(1-methylethyl)1,3-dithiolan-2-ylidenepropanedioate,9ci\n1,3-bis(propan-2-yl)2-(1,3-dithiolan-2-ylidene)propanedioate\n1,3-dithiolan-2-ylidenepropanedioicacidbis(1-methylethyl)ester\n2-(1,3-dithiolan-2-ylidene)propanedioicaciddipropan-2-ylester\n2-(1,3-dithiolan-2-ylidene)propanedioicacid1,3-bis(1-methylethyl)ester\ninchi=1/c12h18o4s2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8h,5-6h2,1-4h3\n",null,null,1]
[4794,"BENZENEACETIC ACID, .alpha.-(ACETYLOXY)-, (R)-","51019-43-3","CC(=O)OC(C(=O)O)c1ccccc1",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,2]
[4795,"GALATITOL, 2,3:4,5-DIANHYDRO-1,6-DIDEOXY-","51065-35-1",null,"CC1C(O1)C2C(O2)C",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4797,"N-<2-cyano-ethyl>-alanine","51078-47-8",null,null,"CC(NCCC#N)C(=O)O","CC(NCCC#N)C(=O)O",2,0,2,"Search at least one confirmation",{"$nulls":3},0]
[4798,"N-<2-cyano-ethyl>-valine","51078-49-0",{"$nulls":3},"CC(C)C(NCCC#N)C(=O)O",1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,2]
[4802,"Benzenesulfonamide, 4-amino-N-methyl-N-2-thiazol","51203-19-1",{"$nulls":3},"CN(c1sccn1)S(=O)(=O)c2ccc(cc2)N",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4811,"Propanoic acid, 2-[(ethoxythioxomethyl)thio]-","51440-83-6","CCOC(=S)SC(C)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4827,"ac94,377","51971-67-6",null,"NC(=O)C1(CCCCC1)N2C(c3c(C2=O)cccc3Cl)=O",null,"NC(=O)C1(CCCCC1)N2C(c3c(C2=O)cccc3Cl)=O",2,0,2,"Verify Name","51971-67-6\nunii-hla3xyb7rj\n1-(3-chlorophthalimido)cyclohexanecarboxamide\nhla3xyb7rj\n1-cyclohexanecarboxamide\nac1l3pus\n1-(4-chlor-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)cyclohexancarboxamid\n1-(4-chloro-1,3-dihydro-1,3-dioxo-2h-isoindole-2-yl)cyclohexanecarboxamide\ncyclohexanecarboxamide,1-(4-chloro-1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)-\nac1q5j4b\nschembl5933663\ndtxsid4034495\nctk4j5193\npsavxklisnejje-uhfffaoysa-n\nakos030613969\ncyclohexanecarboxamide,1-(4-chloro-1,3-dihydro-1,3-dioxo-2h-isoindole-2-yl)-\nac-94377\n1-(3-chlorophthalimido)-cyclohexanecarboxamide\n1-(4-chloro-1,3-dioxoisoindol-2-yl)cyclohexane-1-carboxamide\ncyclohexanecarboxamide,1-(4-chloro-1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)-\n",null,null,1]
[4829,"Heptanedioic acid, 2,6-dimethyl-, (R*,S*)-","52137-33-4","CC(CCCC(C)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,2]
[4833,"Cyclohexylmercapto-acetic acid","52363-15-2","O=C(O)CSC1CCCCC1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4835,"N-(ETHYLAMINOMETHYL)BENZAMIDE","52387-57-2","CCNCNC(=O)c1ccccc1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4866,"hydrazinecarboxamide,1-(2-hydroxyhexyl)-2-[(5-n","52926-52-0",null,"CCCCC(O)CN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O",null,"CCCCC(O)CN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O",2,0,2,"Verify Name","1-(2-hydroxyhexyl)-1-[(5-nitrofuran-2-yl)methylideneamino]urea\n52926-52-0\nac1l6bl1\nctk4j6742\ndtxsid70287902\nhydrazinecarboxamide,1-(2-hydroxyhexyl)-2-[(5-nitro-2-furanyl)methylene]-\n","Stereochemistry removed",null,0]
[4870,"AROCLOR 1242","53469-21-9","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl",null,null,2,0,2,"Search at least one confirmation",{"$nulls":3},0]
[4878,"24nh2pyrimidine,5(35-meo-4-oetome)benzyl","53808-87-0",null,"COCCOc1c(cc(cc1OC)Cc2c(nc(nc2)N)N)OC",null,"COCCOc1c(cc(cc1OC)Cc2c(nc(nc2)N)N)OC",2,0,2,"Verify Name","tetroxoprim\n53808-87-0\ntetroxoprima\ntetroxoprime\ntetroxoprimum\ntetroxoprima[spanish]\ntetroxoprime[inn-french]\ntetroxoprimum[inn-latin]\ntetroxoprima[inn-spanish]\nunii-5r6712ay0k\nhe781\nbw32u\neinecs258-789-4\nbrn4271695\nchembl32039\n5r6712ay0k\nc16h22n4o4\n2,4-diamino-5-(3,5-dimethoxy-4-(2-methoxyethoxy)benzyl)pyrimidine\n5-(3,5-dimethoxy-4-(2-methoxyethoxy)benzyl)pyrimidine-2,4-diamine\n2,4-pyrimidinediamine,5-((3,5-dimethoxy-4-(2-methoxyethoxy)phenyl)methyl)-\n5-((3,5-dimethoxy-4-(2-methoxyethoxy)phenyl)methyl)-2,4-pyrimidinediamine\npiritrexin\n5-((3,5-dimethoxy-4-(2-methoxyethoxy)phenyl)methyl)pyrimidinediamine\n5-[[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,4-pyrimidinediamine\n5-[[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine\npyrimidine,2,4-diamino-5-(3,5-dimethoxy-4-(2-methoxyethoxy)benzyl)-\ntetroxoprim[usan:ban:inn]\ntetroxoprim[usan:inn:ban]\ntetroxoprim(usan/inn)\n5-25-13-00437(beilsteinhandbookreference)\nschembl155211\nac1l23a1\ndtxsid80202085\nchebi:135420\nwswjizxmauyhoe-uhfffaoysa-n\nzinc2020087\nbdbm50029760\nda-05098\nls-135024\nft-0710131\nd06097\n2,4-diamino-5-(3,5-dimethoxy-4(2-methoxyethoxy)benzyl)pyrimidine\n5-[3,5-dimethoxy-4-(2-methoxy-ethoxy)-benzyl]-pyrimidine-2,4-diamine\n5-[3,5-dimethoxy-4-(2-methoxy-ethoxy)-benzyl]-pyrimidine-2,4-diamine(tetroxoprim)\n",null,null,1]
[4879,"Butane, 1,1',1''-[methylidynetris(sulfonyl)]tris","53893-44-0",null,null,"CCCCS(=O)(=O)C(S(=O)(=O)CCCC)S(=O)(=O)CCCC","CCCCS(=O)(=O)C(S(=O)(=O)CCCC)S(=O)(=O)CCCC",2,0,2,"Search at least one confirmation",{"$nulls":3},0]
[4881,"2,4,6(1h,3h,5h)-pyrimidinetrione,5-butyl-5-meth","53943-60-5",null,"CCCCC1(C(NC(NC1=O)=O)=O)C",null,"CCCCC1(C(NC(NC1=O)=O)=O)C",2,0,2,"Verify Name","5-butyl-5-methylpyrimidine-2,4,6(1h,3h,5h)-trione\n53943-60-5\n5-butyl-5-methyl-1,3-diazinane-2,4,6-trione\nnsc125723\nmethyl-5-butylbarbituric\nac1l5lex\nac1q6gdg\nschembl2850139\nctk4j9036\ndtxsid70298750\nakos030556034\nnsc-125723\n",null,null,1]
[4884,"2-Butenoic acid, 2-chloro-, (Z)-","53993-41-2","CC=C(Cl)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,2]
[4885,"cefaclor(panoral)","53994-73-3",null,"NC(C(=O)NC1C2N(C1=O)C(C(=O)O)=C(Cl)CS2)c3ccccc3",null,"NC(C(=O)NC1C2N(C1=O)C(C(=O)O)=C(Cl)CS2)c3ccccc3",2,0,2,"Verify Name","cefaclor\n53994-73-3\nceclor\ncephaclor\ncefaclorum\ncefacloranhydrous\nkefral\nraniclor\npanoral\nlilly99638\nalfacet\ndystaclormr\nl-kefral\nunii-3z6fs3ik0k\nalenfral(tn)\ns6472\nchebi:3478\n3-chloro-7-d-(2-phenylglycinamido)-3-cephem-4-carboxylicacid\nccl\nceclorcd\n3z6fs3ik0k\ncefaclorum[inn-latin]\nmls000069617\nalfatil\npanacef\nkeflor\ncefaclor,96%\nncgc00022612-04\nsmr000058250\ncefaclor(usp)\ndsstox_cid_2748\nceclor(tn)\ndsstox_rid_76713\ndsstox_gsid_22748\nalenfral\n(6r,7r)-7-((r)-2-amino-2-phenylacetamido)-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid\n(6r,7r)-7-{[(2r)-2-amino-2-phenylacetyl]amino}-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid\ns-6472\neinecs258-909-5\n7beta-{[(2r)-2-amino-2-phenylacetyl]amino}-3-chloro-3,4-didehydrocepham-4-carboxylicacid\ncefaclor[inn]\ncefaclor[usan:inn:ban:jan]\n(6r,7r)-7-((r)-2-amino-2-phenylacetamido)-3-chloro-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylicacid\n(6r,7r)-7-[[(2r)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid\n7-((2r)-2-amino-2-phenylacetylamino)(7r,7ar)-3-chloro-6-oxo-2h,7h-azetidino[2,1-b]1,3-thiazine-4-carboxylicacid\ncas-53994-73-3\ncefacloro\ncefeaclor\ndistaclor(tn)\ncefaclor(ceclor)\ncefaclor(ceclor)/\ncefaclor,(s)\nraniclor(tn)\nkeflor(tn)\ncefaclor(jp15)\ncefaclor(jp17)\nspectrum_001070\nspecplus_000947\nac1l1abp\nprestwick0_000485\nprestwick0_001102\nprestwick1_000485\nprestwick1_001102\nprestwick2_000485\nprestwick2_001102\nprestwick3_000485\nprestwick3_001102\nspectrum2_001189\nspectrum3_001858\nspectrum4_000093\nspectrum5_001727\nchembl680\nd0pw7c\nepitopeid:117133\nschembl33540\nbspbio_000349\nbspbio_001204\nbspbio_003276\nkbiogr_000386\nkbioss_001550\ncid_51039\nmls001424193\ndivk1c_007043\nspectrum1500771\nspbio_001237\nspbio_002270\nspbio_003082\nbpbio1_000385\nbpbio1_001326\ndtxsid3022748\nbdbm42131\nctk1h0061\nkbio1_001987\nkbio2_001550\nkbio2_004118\nkbio2_006686\nkbio3_002777\nmolport-003-666-328\nqyiyflotgylrgg-gpccphfnsa-n\nbcpp000294\nhms1571m06\nhms1921g22\nhms2052c11\nhms2092k08\nhms2233m13\npharmakon1600-01500771\n5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylicacid,7-((aminophenylacetyl)amino)-3-chloro-8-oxo-,(6r-(6-alpha,7-beta(r*)))-\nhy-b0198\nzinc3812869\ntox21_110880\nabp000537\nccg-40264\nmfcd00151471\nnsc757422\nakos024282614\ntox21_110880_1\nbcp9000501\ncefaclor,analyticalreferencematerial\ncs-2134\ndb00833\nnc00354\nnsc-757422\nncgc00022612-05\nncgc00022612-06\nncgc00022612-07\nncgc00022612-10\nncgc00022612-11\naj-90585\ncpd000058250\nsam001246884\nst057228\nsbi-0051606.p002\nab00052174\nft-0603069\nst24046293\nc06877\nceclor,distaclor,keflor,raniclor,cefaclor\nd00256\nab00052174_15\nab00052174_16\ncefaclor,antibioticforculturemediauseonly\nsr-05000001556\nsr-05000001556-1\nbrd-k20338176-002-03-5\n(6r,7r)-7-[(2r)-2-amino-2-phenylacetamido]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid\n(6r,7r)-7-[(r)-2-amino-2-phenylacetamido]-3-chloro-8-oxo-5-thia-1-azabicyclo[4,2,0]oct-2-ene-2-carboxylicacid\n(6r,7r)-7-[[(2r)-2-amino-2-phenyl-acetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid\n5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2r)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-,(6r,7r)-\n5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2r)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-,(6r,7r)-\n7-(2-amino-2-phenyl-acetylamino)-3-chloro-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylicacid\n","Stereochemistry removed",null,1]
[4889,"Benzenamine, 2,6-dibromo-N-nitro-","54381-71-4","O=[N+]([O-])Nc1c(cccc1Br)Br",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4906,"Carbamic acid, [(dibutylamino)thio]methyl-, 2,3-","55285-14-8",null,"CCCCN(CCCC)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4918,"Benzenamine, N,2-dinitro-","55704-91-1","O=[N+]([O-])Nc1c(cccc1)[N+](=O)[O-]",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4922,"3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-phenyl-","55774-20-4","Cc1[nH]n(c(c1)=O)-c2ccccc2",null,"Cc1[nH]n(c(c1)=O)-c2ccccc2",null,2,0,2,"Search at least one confirmation",null,null,"Checked on ChemID, Checked on PubChem",0]
[4929,"1,8,15-Triazacycloheneicosane-2,9,16-trione","56403-08-8","O=C1NCCCCCC(NCCCCCC(NCCCCC1)=O)=O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4936,"1(2h)-pyrimidinecarboxamide,5-fluoro-3,4-dihydr","56563-18-9",null,"CNC(=O)n1c([nH]c(c(c1)F)=O)=O",null,"CNC(=O)n1c([nH]c(c(c1)F)=O)=O",2,0,2,"Verify Name","1-methylcarbamoyl-5-fluorouracil\n56563-18-9\n1(2h)-pyrimidinecarboxamide,5-fluoro-3,4-dihydro-n-methyl-2,4-dioxo-\n5-fluoro-n-methyl-2,4-dioxopyrimidine-1-carboxamide\nac1q5jwk\nac1l3o5v\nschembl11741360\n5-fluoro-1-methylcarbamoyluracil\nctk5a5346\ndtxsid10205120\ncdacfmjjrhumna-uhfffaoysa-n\n5-fluoro-3,4-dihydro-n-methyl-2,4-dioxo-1(2h)-pyrimidinecarboxamide\n1(2h)-pyrimidinecarboxamide,5-fluoro-3,4-dihydro-n-methyl-2,4-dioxo-\n5-fluoro-1,2,3,4-tetrahydro-2,4-dioxo-n-methylpyrimidine-1-carboxamide\n",null,null,0]
[4947,"Fluotrimazole","57381-79-0","FC(F)(F)c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4ncnc4",null,"FC(F)(F)c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4ncnc4",null,2,0,2,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[4965,"Benzenesulfonamide, 4-amino-N-(3-methyl-2(3H)-th","58944-06-2",{"$nulls":3},"Cn1c(scc1)=NS(=O)(=O)c2ccc(cc2)N",1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4966,"1H-Imidazole-4,5-dicarboxylic acid, 2-ethyl-","58954-22-6","CCc1[nH]c(c(n1)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4987,"1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-","60207-93-4",null,"CCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl",null,"CCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl",2,0,2,"Verify Name","etaconazole\nbenit\nsonax\n60207-93-4\netaconazol\ncaswellno.321ab\ncga64251\netaconazole[bsi:iso]\neinecs262-107-0\nepapesticidechemicalcode120501\nbrn0834090\nchebi:4874\ndwrkfajebuwtqm-uhfffaoysa-n\n1-((2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1h-1,2,4-triazole\n1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole\n1h-1,2,4-triazole,1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-\n71245-23-3\n1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1h-1,2,4-triazole\n1h-1,2,4-triazole,1-((2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-\n1-{[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl}-1h-1,2,4-triazole\nac1l3mk1\ntriazole-basedligand,17\ndsstox_cid_21913\ndsstox_rid_79874\ndsstox_gsid_41913\nschembl21043\nac1q3n09\nchembl270271\netaconazole-.beta.(eso)\ndtxsid2041913\netaconazole-.alpha.(eso)\nbdbm21166\ntox21_301568\nakos015903377\n1-{[2-(2,4-dichlorphenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl}-1h-1,2,4-triazol\netaconazole10microg/mlincyclohexane\nncgc00166188-01\nncgc00255938-01\ncas-60207-93-4\nls-155943\netaconazol,pestanal(r),analyticalstandard\nc11293\ni14-19304\n1-((2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-\n1-([2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl)-1h-1,2,4-triazole#\npesticide6_etaconazoleisomer1*_c14h15cl2n3o2_1-{[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl}-1h-1,2,4-triazole\n",null,null,0]
[4990,"Phosphorothioic acid, O-(dichloro(methylthio)phe","60238-56-4",null,"CCOP(=S)(OCC)Oc1cc(c(c(c1)Cl)Cl)SC",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[4993,"Heptanoic acid, 2,4-dioxo-","60415-20-5","CCCC(=O)CC(=O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4994,"Octanoic acid, 2,4-dioxo-","60415-21-6","CCCCC(=O)CC(=O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[4999,"Glycine, N-[N-(2-bromo-1-oxopropyl)glycyl]-, (.+","60662-64-8",null,"CC(Br)C(=O)NCC(=O)NCC(=O)O",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5000,"barbituricacid,5-et,5-heptyl","60784-70-5",null,"CCCCCCCC1(C(NC(NC1=O)=O)=O)CC",null,"CCCCCCCC1(C(NC(NC1=O)=O)=O)CC",2,0,2,"Verify Name","sodium5-ethyl-5-heptylbarbiturate\n5-ethyl-5-heptylbarbituricacidsodiumsalt\nbarbituricacid,5-ethyl-5-heptyl-,sodiumsalt\n60784-70-5\nls-24302\n60784-70-5\n5-ethyl-5-heptyl-2-sodiooxy-4,6(1h,5h)-pyrimidinedione\nac1q6gdn\n60784-70-5\n5-ethyl-5-heptyl-1,3-diazinane-2,4,6-trione\n5-ethyl-5-heptylbarbiturate\nac1l29y6\nschembl4390354\n5-ethyl-5-heptylbarbituricacid\nchembl1797005\ndtxsid50872976\n5-ethyl-5-n-heptylbarbituricacid\n5-ethyl-5-heptylpyrimidine-2,4,6(1h,3h,5h)-trione\n",null,null,1]
[5001,"Cyclohexanecarboxamide, 4-methyl-, trans-","60940-94-5","CC1CCC(CC1)C(N)=O",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,2]
[5013,"Benzenemethanol, 2,3(or 3,4)-dichloro-, methyl c","62046-37-1",null,"CNC(=O)OCc1c(c(ccc1)Cl)Cl",null,null,1,0,3,"Search at least one confirmation",null,null,"Checked on ChemID",1]
[5014,"1,3-Benzodioxole-5-acetic acid, .alpha.-oxo-","62396-98-9","O=C(O)C(=O)c1cc2c(cc1)OCO2",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5021,"Benz[a]anthracene, 8,9,10,11-tetrahydro-7-methyl","63020-38-2",null,null,"Cc1c2c(cc3c1CCCC3)c4c(cc2)cccc4","Cc1c2c(cc3c1CCCC3)c4c(cc2)cccc4",2,0,2,"Search at least one confirmation",{"$nulls":3},0]
[5022,"benzeneacetonitrile,alpha-((cyanomethoxy)imino)","63278-33-1",null,"N#CCON=C(C#N)c1ccccc1",null,"N#CCON=C(C#N)c1ccccc1",2,0,2,"Verify Name","cyometrinil\nconcep\neinecs264-063-8\ncga-43089\n((cyanomethoxy)imino)phenylacetonitrile\n(o-cyanomethyl)oximinophenylacetonitrile\nbrn3051664\nalpha-((cyanomethoxy)imino)-benzacetonitrile\nalpha-((cyanomethoxy)imino)benzeneacetonitrile\nbenzeneacetonitrile,alpha-((cyanomethoxy)imino)-\n78370-21-5\n63278-33-1\n.alpha.-[(cyanomethoxy)imino]benzeneacetonitrile\nac1l3nys\nchebi:82238\nctk5e5727\nls-29028\nn-(cyanomethoxy)benzenecarboximidoylcyanide\nalpha-(cyanomethoxy)imino-benzeneacetonitrile\nc19117\nbenzeneacetonitrile,.alpha.-[(cyanomethoxy)imino]-\nbenzeneacetonitrile,a-[(cyanomethoxy)imino]-,(az)-\ncyometrinil\n78370-21-5\nac1nunb2\nschembl7627838\n63278-33-1\nzinc6095557\n(e)-n-(cyanomethoxy)benzenecarboximidoylcyanide\ncyometrinil\nunii-df1mbz94vx\ndf1mbz94vx\ncyometrinil[iso]\n[(cyanomethoxy)imino](phenyl)acetonitrile\n78370-21-5\n.alpha.-[(cyanomethoxy)imino]benzeneacetonitrile\nac1q4qfv\nac1q4sju\nschembl23917\nschembl167015\ndtxsid8069806\nbenzeneacetonitrile,alpha-((cyanomethoxy)imino)-,(alphaz)-\n63278-33-1\n(2e)-2-(cyanomethoxyimino)-2-phenyl-acetonitrile\n","Stereochemistry removed",null,1]
[5023,"5-pyrimidinemethanol,.alpha.-(2-chlorophenyl)-.","63284-71-9",null,"OC(c1ccc(cc1)F)(c2cncnc2)c3c(cccc3)Cl",null,"OC(c1ccc(cc1)F)(c2cncnc2)c3c(cccc3)Cl",2,0,2,"Verify Name","nuarimol\nguantlet\ntrimidal\ntriminol\nmurox\ntrimifruitsc\n63284-71-9\ncaswellno.419g\n5-(2-chloro-4'-fluorobenzhydryl)-4-hydroxypyrimidine\nel228\nnuarimol[ansi:bsi:iso]\nel2289\neinecs264-071-1\nepapesticidechemicalcode224100\nbrn6223667\n2-chloro-4'-fluoro-alpha-(pyrimidin-5-yl)diphenylmethanol\n(+-)-2-chloro-4'-fluoro-alpha-(pyrimidin-5-yl)benzhydrylalcohol\nalpha-(2-chlorophenyl)-alpha-(4-fluorophenyl)-5-pyrimidinemethanol\n5-pyrimidinemethanol,.alpha.-(2-chlorophenyl)-.alpha.-(4-fluorophenyl)-\nw-111222\n(2-chlorophenyl)-(4-fluorophenyl)-pyrimidin-5-yl-methanol\n(2-chlorophenyl)-(4-fluorophenyl)-pyrimidin-5-ylmethanol\n2-chloro-4'-fluoro-alpha-(pyrimidin-5-yl)benzhydroxylalcohol\n5-pyrimidinemethanol,alpha-(2-chlorophenyl)-alpha-(4-fluorophenyl)-\ngauntlet\ntridal\ncidorel(salt/mix)\ngandural(salt/mix)\nac1l3mkv\n(.+/-.)-nuarimol\ndsstox_cid_22220\ndsstox_rid_79964\ndsstox_gsid_42220\nschembl20691\nchembl1863087\ndtxsid2042220\nsapgtcdsbgmxcd-uhfffaoysa-n\ndndi1255614\ntox21_301251\nnuarimol10microg/mlincyclohexane\n5-pyrimidinemethanol,alpha-(2-chlorophenyl)-alpha-(4-fluorophenyl)-(9ci)\nncgc00255760-01\nan-39021\ncas-63284-71-9\nls-135443\nft-0658484\nnuarimol,pestanal(r),analyticalstandard\nc11185\n284n719\nc-56160\n(2-chlorophenyl)(4-fluorophenyl)5-pyrimidinylmethanol#\n(r)-(2-chlorophenyl)(4-fluorophenyl)(pyrimidin-5-yl)methanol\n2-chloro-4'-fluoro-.alpha.-(pyrimidin-5-yl)benzhydrylalcohol\n2-chloro-4'-fluoro-.alpha.-(pyrimidin-5-yl)diphenylmethanol\n(.+/-.)-2-chloro-4'-fluoro-.alpha.-(pyrimidin-5-yl)benzhydrylalcohol\n.alpha.-(2-chlorophenyl)-.alpha.-(4-fluorophenyl)-5-pyrimidinemethanol\npesticide6_nuarimol_c17h12clfn2o_(2-chlorophenyl)(4-fluorophenyl)5-pyrimidinylmethanol\n109023-55-4\n1135442-60-2\n75872-04-7\n",null,null,0]
[5029,"1h-purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-","63906-63-8",null,"CCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",null,"CCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",2,0,2,"Verify Name","theobromine,1-propyl-\n1-propyltheobromine\n63906-63-8\ntheobromine,n-propylderivative\n1-n-propyl-3,7-dimethylxanthine\nbrn0023217\nchembl286680\n3,7-dimethyl-1-propyl-1h-purine-2,6-(2h,6h)-dione\n1-propyltheobromin\nac1l3whb\nac1q6lfx\n1-propyltheobromine\n4-26-00-02347(beilsteinhandbookreference)\nschembl315740\nctk5c0153\n3,7-dimethyl-1-propyl-3,7-dihydro-1h-purine-2,6-dione\ndtxsid20213579\nxjkserutelynmr-uhfffaoysa-n\nnsc74791\nbdbm50025566\nnsc-74791\nzinc13284606\n3,7-dimethyl-1-propylpurine-2,6-dione\nls-149387\n1h-purine-2,3,7-dihydro-3,7-dimethyl-1-propyl-\n3,7-dimethyl-1-propyl-1h-purine-2,6(3h,7h)-dione\n3,7-dimethyl-1-propyl-3,7-dihydro-purine-2,6-dione\n1h-purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-propyl-\n",null,null,1]
[5032,"1-Piperazinecarboxylic acid, 4,4'-methylenebis-,","63981-46-4",null,"CCOC(=O)N1CCN(CC1)CN2CCN(CC2)C(=O)OCC",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5033,"1(1H)-ISOBENZOFURANONE-3-I-PROPYL","64002-57-9",{"$nulls":3},"CC(C)C1c2c(C(O1)=O)cccc2",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5034,"1(2h)-pyrimidinecarboxamide,n-butyl-5-fluoro-3,","64098-82-4",null,"CCCCNC(=O)n1c([nH]c(c(c1)F)=O)=O",null,"CCCCNC(=O)n1c([nH]c(c(c1)F)=O)=O",2,0,2,"Verify Name","1-butylcarbamoyl-5-fluorouracil\n64098-82-4\n1(2h)-pyrimidinecarboxamide,n-butyl-5-fluoro-3,4-dihydro-2,4-dioxo-\nn-butyl-5-fluoro-3,4-dihydro-2,4-dioxo-1(2h)-pyrimidinecarboxamide\nac1l3j5d\nschembl10458638\nctk8j8126\ndtxsid30214294\npvsndbkxskxphm-uhfffaoysa-n\n1-(n-butylcarbamoyl)-5-fluorouracil\nn-butyl-5-fluoro-2,4-dioxopyrimidine-1-carboxamide\n",null,null,0]
[5040,"3,5-Piperidinedicarbonitrile, 4-butyl-4-methyl-2","64635-92-3",null,"CCCCC1(C(C(NC(C1C#N)=O)=O)C#N)C",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5044,"Benzenesulfonamide, 4-amino-N-(3,5-dimethyl-4-is","64682-95-7",{"$nulls":3},"Cc1c(c(on1)C)NS(=O)(=O)c2ccc(cc2)N",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5045,"DL-Alanine, N-ethyl-","64991-30-6","CCNC(C)C(=O)O",null,null,"CCNC(C)C(=O)O",2,0,2,"Search at least one confirmation",null,"Stereochemistry removed",null,2]
[5046,"7H-Purine-7-carboxylic acid, 1,2,3,6-tetrahydro-","65029-15-4","O=C(O)n1c2c(nc1)NCNC2",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5052,"2,4(1h,3h)-pyrimidinedione,5-aminodihydro-1,3-d","65413-42-5",null,"CN1C(N(C(C(C1=O)N)=S)C)=O",null,"CN1C(N(C(C(C1=O)N)=S)C)=O",2,0,2,"Verify Name","65413-42-5\n5-amino-1,3-dimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione\nnsc7372\nac1l5b9k\nac1q7f1j\nctk5c2682\ndtxsid50278439\n5-amino-1,3-dimethyl-6-thioxodihydropyrimidine-2,4(1h,3h)-dione\nnsc-7372\n2,4(1h,3h)-pyrimidinedione,5-aminodihydro-1,3-dimethyl-6-thioxo-\n5-amino-1,3-dimethyl-6-sulfanylidenedihydropyrimidine-2,4(1h,3h)-dione\n",null,null,0]
[5056,"1,3-Propanediol, 2-nitro-1-phenyl-, diacetate (e","65934-94-3",null,"CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+](=O)[O-]",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5061,"2-Butenedioic acid, 2-methyl-, 4-ethyl ester, (E","66261-38-9",{"$nulls":3},"C=C(CC(=O)O)C(=O)OCC",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5074,"2,4,6(1h,3h,5h)-pyrimidinetrione,5-methyl-5-(3-","67051-30-3",null,"CC(C)CCC1(C(NC(NC1=O)=O)=O)C",null,"CC(C)CCC1(C(NC(NC1=O)=O)=O)C",2,0,2,"Verify Name","5-isopentyl-5-methylbarbituricacid\nbarbituricacid,5-isopentyl-5-methyl-\n67051-30-3\nbrn0201783\n5-methyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione\n5-methyl-5-(3-methylbutyl)barbituricacid\nnsc32368\nac1l2lkz\ndtxsid00217358\nzinc1664882\nnsc-32368\nls-24561\n2,6(1h,3h,5h)-pyrimidinetrione,5-methyl-5-(3-methylbutyl)-\n",null,null,0]
[5080,"Glycine, N-[(2-methyl-5-nitrophenyl)sulfonyl]-","67320-39-2","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)NCC(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5081,"L-Alanine, N-[(2-methyl-5-nitrophenyl)sulfonyl]-","67320-40-5","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)NC(C)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,0]
[5089,"glycine,n-(aminocarbonyl)-n-nitroso-,ethylest","67792-85-2",null,"CCOC(=O)CN(N=O)C(N)=O",null,"CCOC(=O)CN(N=O)C(N)=O",2,0,2,"Verify Name","n-ethoxycarbonylmethyl-n-nitrosourea\nbrn1787039\nn-carbamoyl-n-nitrosoglycineethylester\n67792-85-2\nglycine,n-carbamoyl-n-nitroso-,ethylester\nethyl2-[carbamoyl(nitroso)amino]acetate\nac1l2mq9\nctk5c6677\ndtxsid80218045\n3-nitroso-hydantoicacidethylester\nls-72348\n",null,null,1]
[5090,"ethanamine,n-(2,2-diethoxyethyl)-2,2-diethoxy-n","67856-67-1",null,"CCOC(CN(CC(OCC)OCC)N=O)OCC",null,"CCOC(CN(CC(OCC)OCC)N=O)OCC",2,0,2,"Verify Name","n-(2,2-diethoxyethyl)-2,2-diethoxy-n-nitrosoethanamine\n67856-67-1\nethanamine,n-(2,2-diethoxyethyl)-2,2-diethoxy-n-nitroso-\nac1l3q2g\nac1q6r78\nchembl164972\nctk5c6791\ndtxsid50218097\nnitrosobis-(2,2-diethoxyethyl)-amine\nn,n-bis(2,2-diethoxyethyl)nitrousamide\n",null,null,1]
[5093,"1-hexen-3-ol,(.+-.)-","67928-93-2",null,"C=CC(O)CCC",null,"C=CC(O)CCC",2,0,2,"Verify Name","1-hexen-3-ol\nhex-1-en-3-ol\n4798-44-1\npropylvinylcarbinol\n3-hydroxy-1-hexene\npropylvinylcarbinol\nvinylpropylcarbinol\n1-vinylbutanol\n1-vinylbutan-1-ol\nfemano.3608\n1-hexene-3-ol\neinecs225-355-0\nnsc89701\n1-hexen-3-ol,(r)-\n1-hexen-3-ol,(s)-\nai3-28612\n139164-92-4\n139164-93-5\nhexen-3-ol\nacmc-20myko\nacmc-20mykp\nacmc-1bbtu\nac1l2h9r\n1-hexen-3-ol,98%\nschembl187270\nchembl2270634\ndtxsid1022219\nbvosszshbzqjoi-uhfffaoysa-\nctk0f2637\nctk0f2638\nctk1d7628\nfema3608\nbvosszshbzqjoi-uhfffaoysa-n\nmolport-003-941-594\n1-hexen-3-ol,analyticalstandard\nks-00000us6\nnsc89701\nanw-30594\nnsc-89701\nakos009158911\nls-2800\nvz21468\n67928-93-2\nan-19072\ni123\nkb-12279\n1-hexen-3-ol,>=98%,stabilized,fg\ndb-019198\nst2419407\ntc-020258\nft-0607888\ni14-6307\ninchi=1/c6h12o/c1-3-5-6(7)4-2/h4,6-7h,2-3,5h2,1h3\n",null,null,1]
[5108,"proglinazineethyl","68228-18-2",null,"CCOC(=O)CNc1nc(nc(n1)Cl)NC(C)C",null,"CCOC(=O)CNc1nc(nc(n1)Cl)NC(C)C",2,0,2,"Verify Name","proglinazine-ethyl\nproglinazine-ethyl[iso]\nunii-99sz80g96c\nmg-07\nbrn0815377\n68228-18-2\n99sz80g96c\nn76029\nn-(4-chloro-6-((1-methylethyl)amino)-1,3,5-triazin-2-yl)glycineethylester\nglycine,n-(4-chloro-6-((1-methylethyl)amino)-1,3,5-triazin-2-yl)-,ethylester\nac1l18gt\n5-26-08-00467(beilsteinhandbookreference)\nschembl276027\ndtxsid8058455\nctk2f5991\nzinc1843642\nglycine,n-(4-chloro-6-(isopropylamino)-s-triazin-2-yl)-,ethylester(7ci)\nls-72398\nethyl2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetate\nglycine,n-(4-chloro-6-(isopropylamino)-s-triazin-2-yl)-,ethylester\n",null,null,1]
[5112,"ALKYLBENZENE (C10-C15)","68648-87-3",null,"CCCCCCCCCCCCCc1ccccc1",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5113,"ACETAMIDE, N-ACETYL-2-(BENZOYLOXY)-","68659-48-3","CC(=O)NC(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5118,"Benzenesulfonamide, 2-cyano-N-phenyl-","69360-16-3","N#Cc1c(cccc1)S(=O)(=O)Nc2ccccc2",null,"N#Cc1c(cccc1)S(=O)(=O)Nc2ccccc2",null,2,0,2,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[5124,"Cyclohexanecarboxylic acid, 1-hydroxy-2-methyl-","69687-19-0","CC1C(CCCC1)(O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5125,"2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-bis(1-m","69695-04-1",{"$nulls":3},"CC(C)C1OCC2(CO1)COC(OC2)C(C)C",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5127,"Benzenamine, 2,4-dichloro-N-nitro-","69732-99-6","O=[N+]([O-])Nc1c(cc(cc1)Cl)Cl",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5132,"benzoicacid,2-[4,5-dihydro-4-methyl-4-(1-methy","69969-22-8",null,"COC(=O)c1c(cc(cc1)C)C=2NC(C(N2)(C)C(C)C)=O",null,"COC(=O)c1c(cc(cc1)C)C=2NC(C(N2)=O)(C)C(C)C",2,0,2,"Verify Name","imazamethabenz-methyl\nassert\ndagger\nimazamethabenzmethyl\nac222293\nimazamethabenz[ansi]\n69969-22-8\nmethyl2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)-4-methylbenzoate\ncl222293\nmethyl2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate\nantibioticam630b\nimazmethabenz\nac1l1hnu\ndsstox_cid_12412\ndsstox_rid_78941\ndsstox_gsid_32412\nschembl543577\nchebi:6849\nchembl3186163\ndtxsid70274059\nffccbbnqpimuji-uhfffaoysa-n\ntox21_302218\nncgc00255361-01\nls-37019\nac-239589\ncas-81405-85-8\nkb-297439\nc11494\nimazamethabenz-methyl,pestanal(r),analyticalstandard\nmethyl2-(4-isopropyl-4-methyl-5-oxo-1h-imidazol-2-yl)-4-methyl-benzoate\nmethyl2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate\nmethyl2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)-4-methylbenzoate#\nmethyl4-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1h-imidazol-2-yl)benzoate\n153703-73-2\nbenzoicacid,2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1h-imidazol-2-yl]-4-methyl-,methylester\n",null,null,0]
[5133,"benzoicacid,2-[4,5-dihydro-4-methyl-4-(1-methy","69969-62-6",null,"COC(=O)c1c(ccc(c1)C)C=2NC(C(N2)(C)C(C)C)=O",null,"COC(=O)c1c(ccc(c1)C)C=2NC(C(N2)=O)(C)C(C)C",2,0,2,"Verify Name","69969-62-6\nmethyl6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate\nmethyl5-methyl-2-benzoate\nac1l3snc\nac1q5z4x\nschembl429734\nctk5d1624\ndtxsid80274060\nag-g-73039\nmethyl5-methyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1h-imidazol-2-yl]benzoate\nac-252767\nc11495\nmethyl2-(4-isopropyl-4-methyl-5-oxo-1h-imidazol-2-yl)-5-methyl-benzoate\nmethyl5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1h-imidazol-2-yl)benzoate\n100594-45-4\nbenzoicacid,2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1h-imidazol-2-yl]-5-methyl-,methylester\nbenzoicacid,2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1h-imidazol-2-yl]-5-methyl-,methylester\n",null,null,0]
[5136,"L-Cysteine, N-acetyl-S-(2-chlorophenyl)-","70278-03-4","CC(=O)NC(CSc1c(cccc1)Cl)C(=O)O",null,"CC(=O)NC(CSc1c(cccc1)Cl)C(=O)O",null,2,0,2,"VErify correctness of CAS; Search at least one confirmation",null,"Stereochemistry removed",null,0]
[5144,"DL-Alanine, N-[(ethylthio)thioxomethyl]-","70561-60-3","CCSC(=S)NC(C)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5147,"1,3,2-Oxazaphosphepin-2(3H)-amine, N,N-bis(2-chl","70772-73-5",null,"O=P1(OCCCCN1)N(CCCl)CCCl",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5153,"Benzenesulfonamide, 4-amino-N-(5-amino-1,3,4-thi","71119-25-0",{"$nulls":3},"Nc1ccc(cc1)S(=O)(=O)Nc2sc(nn2)N",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5154,"benzenesulfonamide,4-amino-n-(5-propyl-1,3,4-th","71119-32-9",null,"CCCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",null,"CCCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",2,0,2,"Verify Name","4-amino-n-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide\n71119-32-9\nnsc510039\nac1l6w88\ndtxsid00325543\nzinc1603376\nakos024134220\nnsc-510039\n",null,null,0]
[5159,"benzenesulfonamide,4-amino-n-(4-ethoxy-2-pyrimi","71138-72-2",null,"CCOc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",null,"CCOc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",2,0,2,"Verify Name","4-amino-n-(4-ethoxypyrimidin-2-yl)benzenesulfonamide\n71138-72-2\nnsc27260\nac1l5led\nac1q6w0f\ndtxsid70282674\nnsc-27260\n",null,null,1]
[5160,"Butanamide, 2-chloro-2-ethyl-","71203-44-6","CCC(Cl)(CC)C(N)=O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[5165,"cyclopropanecarboxylicacid,3-(2,2-dichloroethe","71697-59-1",null,"CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",null,"CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",2,0,2,"Verify Name","theta-cypermethrin\nunii-63368kv4py\n65732-07-2\n63368kv4py\n(1r)-trans-(alphas)-cypermethrin\nnrdc159\n71697-59-1\n(s)-cyano(3-phenoxyphenyl)methyl(1r,3s)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate\ngamma-cypermethrin\ncyclopropanecarboxylicacid,3-(2,2-dichloroethenyl)-2,2-dimethyl-,cyano(3-phenoxyphenyl)methylester,(1-alpha(s*),3-beta)-(+-)-\neinecs265-899-6\nfmc52703\n(+)-theta-cypermethrin\nac1l3mlj\nac1q3ff1\n(s)-cyano(3-phenoxyphenyl)methyl(1r,3s)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate\nschembl1087559\n(1r,alphas)-trans-cypermethrin\ndtxsid8058247\nchebi:39338\nzinc607702\nakos015899771\nalpha-cyano-3-phenoxybenzyl(1r-(1alpha(s*),3beta))-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate\nru-27069\n697c591\ni14-11257\nunii-1tr49121npcomponentkaatuxntwxvjki-ggpkghcwsa-n\nunii-v8200q2bdlcomponentkaatuxntwxvjki-ggpkghcwsa-n\nunii-ze304v7a62componentkaatuxntwxvjki-ggpkghcwsa-n\n[(s)-cyano-(3-phenoxyphenyl)methyl](1r,3s)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate\n137432-55-4\ncyclopropanecarboxylicacid,3-(2,2-dichloroethenyl)-2,2-dimethyl-,cyano(3-phenoxyphenyl)methylester,(1r-(1alpha(s),2beta))-\ncyclopropanecarboxylicacid,3-(2,2-dichloroethenyl)-2,2-dimethyl-,(s)-cyano(3-phenoxyphenyl)methylester,(1r,3s)-\ncyclopropanecarboxylicacid,3-(2,2-dichloroethenyl)-2,2-dimethyl-,(s)-cyano(3-phenoxyphenyl)methylester,(1r,3s)-\ntheta-cypermethrin\n(1s)-trans-(alphar)-cypermethrin\n83860-32-6\n(r)-cyano(3-phenoxyphenyl)methyl(1s,3r)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate\n71697-59-1\neinecs281-087-4\nschembl1086935\n(1s,alphar)-trans-cypermethrin\nchebi:39337\nzinc2526765\naj-37714\nalpha-cyano-3-phenoxybenzyl(1s-(1alpha(s*),3beta))-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate\ntheta-cypermethrin10microg/mlincyclohexane\nunii-1tr49121npcomponentkaatuxntwxvjki-cmkodmsksa-n\nunii-v8200q2bdlcomponentkaatuxntwxvjki-cmkodmsksa-n\nunii-ze304v7a62componentkaatuxntwxvjki-cmkodmsksa-n\nbeta-cypermethrin\ntheta-cypermethrin\nc22h19cl2no3\nschembl120157\ns250\n71697-59-1\nakos015964935\n3alpha-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1beta-carboxylicacidalpha-cyano-3-phenoxybenzylester\n","Stereochemistry removed",null,0]
[5176,"azodyen5","72828-64-9",null,"CCCCN(CCOC(C)=O)c1cc(c(cc1)N=Nc2c(cc(cc2C#N)[N+](=O)[O-])C#N)C",null,"CCCCN(CCOC(C)=O)c1cc(c(cc1)N=Nc2c(cc(cc2C#N)[N+](=O)[O-])C#N)C",2,0,2,"Verify Name","9004-57-3\n72828-64-9\nn-butyl-n-(2-acetoxyethyl)-4-((4-nitro-2,6-dicyanophenyl)azo)-3-methylbenzeneamine\n1,3-benzenedicarbonitrile,2-[[4-[[2-(acetyloxy)ethyl]butylamino]-2-methylphenyl]azo]-5-nitro-\nethylcellulose,viscosity8-12,48%ethoxyl\n1,3-benzenedicarbonitrile,2-((4-((2-(acetyloxy)ethyl)butylamino)-2-methylphenyl)azo)-5-nitro-\n1,3-benzenedicarbonitrile,2-(2-(4-((2-(acetyloxy)ethyl)butylamino)-2-methylphenyl)diazenyl)-5-nitro-\nethylcellulose,ethoxylcontent48%,10cps\nethylcellulose,ethoxylcontent48%,22cps\nethylcellulose,ethoxylcontent48%,300cps\n1,3-benzenedicarbonitrile,2-[2-[4-[[2-(acetyloxy)ethyl]butylamino]-2-methylphenyl]diazenyl]-5-nitro-\neinecs276-879-1\nac1l4xy9\nac1q20j5\nschembl2703629\ndtxsid9072608\nmolport-027-720-506\nzinc31476973\nh397\nft-0626170\n1393-ep2272822a1\n1393-ep2272843a1\n1393-ep2277879a1\n1393-ep2281817a1\n1393-ep2287160a1\n1393-ep2289892a1\n1393-ep2289893a1\n1393-ep2289896a1\n1393-ep2295053a1\n1393-ep2295414a1\n1393-ep2295426a1\n1393-ep2295427a1\n1393-ep2298744a2\n1393-ep2305683a1\n1393-ep2308562a2\n1393-ep2308828a2\n1393-ep2311464a1\n1393-ep2311494a1\n1393-ep2311821a1\n1393-ep2311839a1\n1393-ep2314589a1\n1393-ep2316837a1\n1393-ep2371811a2\n2-[n-butyl-4-[(2,6-dicyano-4-nitrophenyl)diazenyl]-3-methylanilino]ethylacetate\n4-[n-(2-acetoxyethyl)(butyl)amino]-2',6'-dicyano-2-methyl-4'-nitroazobenzene\n163751-72-2\n",null,null,0]
[5178,"2-PROPENOIC ACID, 2-METHYL-, 7,7,9(OR 7,9,9)-TRI","72869-86-4",null,"C=C(C)C(=O)OCCOC(=O)NCCC(C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C",null,null,1,0,3,"Search at least one confirmation",null,null,"Checked on ChemID",0]
[5186,"Propanoic acid, 2-hydroxy-, 2-(hexyloxy)-1-methy","73747-55-4",null,"CCCCCCOC(=O)C(C)OC(=O)C(C)O",null,null,1,0,3,"Search at least one confirmation",null,null,"Checked on ChemID",1]
[5191,"HYDRAZINECARBOXAMIDE, N-(4-ETHOXYPHENYL)-","74099-07-3","CCOc1ccc(cc1)NC(=O)NN",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5216,"diclobutrazolisomers","75736-33-3",null,"CC(C)(C)C(O)C(Cc1c(cc(cc1)Cl)Cl)n2ncnc2",null,"CC(C)(C)C(O)C(Cc1c(cc(cc1)Cl)Cl)n2ncnc2",2,0,2,"Verify Name","diclobutrazol\nvigil\nvigilex\ndicyclobutrazole\ndichlobutrazol\ndiclobutrazol[bsi:iso]\npp296\n1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol\nchebi:4506\n66345-62-8\n75736-33-3\nalpha-tert-butyl-beta-[(2,4-dichlorophenyl)methyl]-1h-1,2,4-triazol-1-ethanol\nalpha-tert-butyl-beta-((2,4-dichlorophenyl)methyl)-1h-1,2,4-triazol-1-ethanol\ndiclobutrazole\n(2rs,3rs)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1h-1,2,4-triazol-1-yl)pentan-3-ol\n(r*,r*)-(+-)-beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1h-1,2,4-triazole-1-ethanol\neinecs266-324-1\nac1l1eni\nac1q1lrv\nschembl21654\nchembl1553129\nctk5c4316\nurdnhjivmyzfrt-uhfffaoysa-n\n1h-1,2,4-triazole-1-ethanol,beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-,(alphar,betar)-rel-\n1h-1,2,4-triazole-1-ethanol,beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-,(r*,r*)-\n1h-1,2,4-triazole-1-ethanol,beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-,(r*,r*)-(+-)-\nakos030575635\nncgc00166314-01\n1h-1,2,4-triazole-1-ethanol,.beta.-[(2,4-dichlorophenyl)methyl]-.alpha.-(1,1-dimethylethyl)-,(.alpha.r,.beta.r)-rel-\nan-37081\ncc-26528\nls-155981\nc11235\ndiclobutrazol,pestanal(r),analyticalstandard\nc-19924\n1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1h-1,2,4-triazol-1-yl)-3-pentanol#\nbeta-[(2,4-dichlorophenyl)methyl]-alpha-(1,1-dimethylethyl)-1h-1,2,4-triazole-1-ethanol\n1h-1,2,4-triazole-1-ethanol,.beta.-((2,4-dichlorophenyl)methyl)-.alpha.-(1,1-dimethylethyl)-,(r*,r*)-(.+/-.)-\n1h-1,2,4-triazole-1-ethanol,beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-\npesticide6_diclobutrazol_c15h19cl2n3o_1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1h-1,2,4-triazol-1-yl)-3-pentanol\ndichlobutrazol\n75736-33-3\n(2r,3s)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol\nac1o3u6r\nzinc967739\ndiclobutrazol10microg/mlinacetone\nzb015479\n736d333\ndiclobutrazolsolution,100mg/l,1ml(rm,isoguide34)\n(2r,3s)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1h-1,2,4-triazol-1-yl)pentan-3-ol\n84709-81-9\n(2s,3s)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol\nac1l4kg0\nctk3e9649\nzinc967741\n75736-33-3\nakos015902480\n1h-1,2,4-triazole-1-ethanol,beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-,(alphas,betas)-\nzb015481\ni14-19662\nunii-g0e609666rcomponenturdnhjivmyzfrt-uonogxrcsa-n\n(1s,2s)-2-[(2,4-dichlorophenyl)methyl]-1-(1,1-dimethylethyl)-2-(1h-1,2,4-triazol-1-yl)ethanol\ndichlobutrazol\nac1l4kg3\nschembl11489337\n(2rs,3rs)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1h-1,2,4-triazol-1-yl)pentan-3-ol\nzinc967740\n(r*,r*)-(+-)-beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1h-1,2,4-triazole-1-ethanol\n1h-1,2,4-triazole-1-ethanol,beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-,(alphar,betar)-rel-\n1h-1,2,4-triazole-1-ethanol,beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-,(r*,r*)-\n1h-1,2,4-triazole-1-ethanol,beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-,(r*,r*)-(+-)-\n75736-33-3\n1h-1,2,4-triazole-1-ethanol,beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-,(alphar,betar)-\n84709-82-0\nzb015480\nft-0603083\nunii-g0e609666rcomponenturdnhjivmyzfrt-kgliplirsa-n\n(2r,3r)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol\n75432-64-3\n83940-00-5\n","Stereochemistry removed",null,0]
[5218,"phosphonicacid,[[4-(2-benzothiazolyl)phenyl]me","75889-62-2",null,"CCOP(=O)(Cc1ccc(cc1)-c2sc3c(n2)cccc3)OCC",null,"CCOP(=O)(Cc1ccc(cc1)-c2sc3c(n2)cccc3)OCC",2,0,2,"Verify Name","fostedil\nkb-944\nfosfedil\n75889-62-2\nfostedilum[latin]\nfostedil[usan:inn]\nunii-d41ws786ul\ndiethyl4-(benzothiazol-2-yl)benzylphosphonate\nbrn3626546\nd41ws786ul\ndiethyl(p-2-benzothiazolylbenzyl)phosphonate\na53986\na-53986\nphosphonicacid,((4-(2-benzothiazolyl)phenyl)methyl)-,diethylester\n(p-(2-benzothiazolyl)benzyl)phosphonicaciddiethylester\nfostedilum\nphosphonicacid,(p-(2-benzothiazolyl)benzyl)-,diethylester\nabbott53986\n2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzothiazole\nc18h20no3ps\nkb944\nfostedil(usan/inn)\nac1l1ewc\nac1q38ar\nchembl39516\nschembl612913\ndiethyl((4-(2-benzothiazolyl)phenyl)methyl)phosphonate\nbdbm82059\nctk5e2159\ndtxsid70226811\nfvyrusczcwsflt-uhfffaoysa-n\nzinc1854337\ncas_53421\nnsc_53421\npdsp1_001081\npdsp2_001065\nakos027379634\ncj-30607\nkb-227022\nls-106452\nd04260\n1-(benzothiazol-2-yl)-4-diethoxyphosphinylmethylbenzene\n2-[4-(diethoxyphosphorylmethyl)phenyl]benzothiazole\n2-[4-(diethoxyphosphorylmethyl)phenyl]benzo[d]thiazole\nphosphonicacid,p-[[4-(2-benzothiazolyl)phenyl]methyl]-,diethylester\n",null,null,0]
[5220,"3-Pyrrolidinecarboxylic acid, 2,2,5,5-tetramethy","76193-99-2",{"$nulls":3},"CC1(NC(C(C1)C(=O)O)(C)C)C",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5221,"2-Furancarboxamide, N-[(2-furanylcarbonyl)oxy]-","76199-02-5","O=C(NOC(=O)c1occc1)c2occc2",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5225,"benzoicacid,2-(acetyloxy)-,(methylthio)methyl","76432-30-9",null,"CSCOC(=O)c1c(cccc1)OC(C)=O",null,"CSCOC(=O)c1c(cccc1)OC(C)=O",2,0,2,"Verify Name","76432-30-9\nbenzoicacid,2-(acetyloxy)-,(methylthio)methylester\nmethylsulfanylmethyl2-acetyloxybenzoate\n(methylsulfanyl)methyl2-(acetyloxy)benzoate\nac1q4hel\nac1l3q7v\nac1q61pn\nchembl422023\nmethylthiomethylacetylsalicylate\nctk5e2939\ndtxsid00227250\n(methylthio)methyl2-acetoxybenzoate\n2-acetoxybenzoicacid(methylthio)methylester\n2-acetoxy-benzoicacidmethylsulfanylmethylester\n",null,null,1]
[5226,"BENZOIC ACID, 2-(ACETYLOXY)-, (METHYLSULFINYL)ME","76432-33-2",null,"CC(=O)Oc1c(cccc1)C(=O)OCS(C)=O",null,null,1,0,3,"Search at least one confirmation",null,null,"Checked on ChemID",2]
[5227,"benzoicacid,2-(acetyloxy)-,(methylsulfonyl)me","76432-35-4",null,"CC(=O)Oc1c(cccc1)C(=O)OCS(C)(=O)=O",null,"CC(=O)Oc1c(cccc1)C(=O)OCS(C)(=O)=O",2,0,2,"Verify Name","76432-35-4\nbenzoicacid,2-(acetyloxy)-,(methylsulfonyl)methylester\nmethylsulfonylmethyl2-acetyloxybenzoate\n(methylsulfonyl)methyl2-(acetyloxy)benzoate\nac1l3soo\nac1q1lay\nac1q61pl\nchembl165235\nctk5e2941\ndtxsid60227251\n(methylsulfonyl)methyl2-acetoxybenzoate\n2-acetoxy-benzoicacidmethanesulfonylmethylester\n2-acetoxybenzoicacid(methylsulfonyl)methylester\nbenzoicacid,2-(acetyloxy)-,(methylsulfonyl)methylester\n",null,null,1]
[5241,"fluoroglycofenethyl","77501-90-7",null,"CCOC(=O)COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",null,"CCOC(=O)COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",2,0,2,"Verify Name","fluoroglycofen-ethyl\n77501-90-7\nsuperblazer\nfluoroglycofenethylester\nbas9106h\nunii-0rch0h6c4n\nfluoroglycofen-ethyl[iso]\nrh-0265\n0rch0h6c4n\nbenzoicacid,5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-,2-ethoxy-2-oxoethylester\nbenzoicacid,5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-,esterwithethylglycolate\n2-ethoxy-2-oxoethyl5-(2-chloro-4-(trifluoromethyl)-phenoxy)-2-nitrobenzoate\n(2-ethoxy-2-oxoethyl)5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate\nbenzoicacid,5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-,2-ethoxy-2-oxoethylester\nc18h13clf3no7\ncompete\nac1l1fdf\ndsstox_cid_21983\ndsstox_rid_79895\ndsstox_gsid_41983\nschembl38860\nac1q350t\nchembl3185853\ndtxsid0041983\nippautobdwnelx-uhfffaoysa-n\nzinc1853861\ntox21_301254\nakos015902860\nva10944\n2-ethoxy-2-oxoethyl5-(2-chloro-4-\nncgc00255806-01\n(trifluoromethyl)phenoxy)-2-nitrobenzoate\nac-12564\nan-36722\ncj-30601\nls-36662\ncas-77501-90-7\nft-0626478\nx6745\n501f907\na839118\nc-22449\ni14-19705\nfluoroglycofen-ethyl,pestanal(r),analyticalstandard\nfluoglycofene-ethylsolution,100mg/l,1ml(rm,isoguide34)\n(2-ethoxy-2-oxo-ethyl)5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate\n5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoicacid(2-ethoxy-2-oxoethyl)ester\n(2-ethoxy-2-oxidanylidene-ethyl)5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate\n",null,null,1]
[5244,"Dodecanedioic acid, 3-methyl-","77633-51-3","CC(CCCCCCCCC(=O)O)CC(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5248,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(2,3-dihydro","78183-37-6",null,"CCC1(C(N(C(NC1=O)=O)CC(O)CO)=O)c2ccccc2",null,null,1,0,3,"Search at least one confirmation",null,null,"Checked on ChemID",1]
[5272,"Benzoic acid amide, 3-(3-aminobenzoylamino)-","81882-67-9","NC(=O)c1cc(ccc1)NC(=O)c2cc(ccc2)N",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5276,"Triadimenol (diastereoisomer B)","82200-72-4",null,"CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed, Isomeric mix",null,2]
[5278,"Butanoic acid, 4-amino-2-hydroxy-4-oxo-, (R)-","82310-91-6","NC(=O)CC(O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,2]
[5284,"4-Thiazolesulfonic acid","82971-12-8","O=S(=O)(O)c1ncsc1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5285,"bensulfuron-methyl(ph7)","83055-99-6",null,"COC(=O)c1c(cccc1)CS(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",null,"COC(=O)c1c(cccc1)CS(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",2,0,2,"Verify Name","bensulfuron-methyl\nbensulfuronmethyl\n83055-99-6\nlondax\nmethylbensulfuron\nbensulfuronmethylester\nbianmihuanglong\nmethyl2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate\nbensulfuron-methyl[iso]\nunii-qwl4i737bl\ndpx-f5384\nepapesticidechemicalcode128820\nqwl4i737bl\nchebi:3017\nchembl2313154\nf5384\nxmqftwrpuqyinf-uhfffaoysa-n\n104466-83-3\nmethylalpha-((4,6-dimethoxypyrimidin-2-yl)ureidosulfonyl)-o-toluate\nmethylalpha-(4,6-dimethoxypyrimidin-2-ylcarbamoylsulfamoyl)-o-toluate\n2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]benzoicacidmethylester\nbenzoicacid,2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]-,methylester\nmariner\nbenzoicacid,2-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)-,methylester\nbensulfuronme\ndpx84\nmethyl2-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)benzoate\nmethyl2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]benzoate\nmethyl2-{[({[(4,6-dimethoxypyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]methyl}benzoate\n60g\ndsstox_cid_4164\nec401-340-6\nac1l1i2x\ndsstox_rid_77312\ndsstox_gsid_24164\nschembl55028\ndtxsid7024164\nctk4a3064\nmolport-003-931-377\nzinc1532062\ntox21_200393\nbdbm50424591\nakos015897329\nncgc00164284-01\nncgc00164284-02\nncgc00164284-03\nncgc00257947-01\nac-12588\nan-36098\nas-12841\nls-37156\nsc-74652\nab0012499\ncas-83055-99-6\nkb-226679\nft-0630916\nc10937\n055b996\na840495\nbensulfuron-methyl,pestanal(r),analyticalstandard\nmethylalpha-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluate\nmethyl2-((n-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl)methyl)benzoate\nmethyl2-({[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}methyl)benzoate\nmethyl2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}methyl)benzoate\nmethyl2-[(4,6-dimethoxypyrimidin-2-yl)aminocarbonylaminosulfonylmethyl]benzoate\n110280-01-8\n2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoylmethyl]benzoicacidmethylester\n96081-37-7\n",null,null,1]
[5303,"4-Pyrimidinecarboxylic acid, 1,6-dihydro-6-oxo-2","84659-98-3",{"$nulls":3},"O=C(O)c1[nH]c(nc(c1)=O)-c2ccccc2",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5304,"benzenemethanol,2,4-dichloro-,propanoate","85262-94-8","OCc1c(cc(cc1)Cl)Cl","CCC(=O)OCc1c(cc(cc1)Cl)Cl","CCC(=O)OCc1c(cc(cc1)Cl)Cl","CCC(=O)OCc1c(cc(cc1)Cl)Cl",3,1,0,"Verify Name","(2,4-dichlorophenyl)methylpropanoate\n85262-94-8\nnsc404633\nac1l84wy\n2,4-dichlorobenzylpropionate\nctk5f4669\ndtxsid90323674\nzinc1597461\nakos030615081\nnsc-404633\nkb-205635\nbenzenemethanol,2,4-dichloro-,1-propanoate\n",null,null,1]
[5308,"Tridecanoic acid, 2,4-dioxo-","85763-15-1","CCCCCCCCCC(=O)CC(=O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5316,"carbamicacid,(3,4-diethoxyphenyl)-,1-methylet","87130-20-9",null,"CCOc1c(cc(cc1)NC(=O)OC(C)C)OCC",null,"CCOc1c(cc(cc1)NC(=O)OC(C)C)OCC",2,0,2,"Verify Name","diethofencarb\n87130-20-9\npowmil\npowmylwp\ndiethofencarb[iso]\nisopropyl3,4-diethoxycarbanilate\nisopropyl(3,4-diethoxyphenyl)carbamate\nisopropyl3,4-diethoxyphenylcarbamate\nunii-421blt77u4\nisopropyln-(3,4-diethoxyphenyl)carbamate\n1-methylethyl(3,4-diethoxyphenyl)carbamate\nchebi:4520\ns-165\npropan-2-yln-(3,4-diethoxyphenyl)carbamate\nlnjnfvjkdjyteu-uhfffaoysa-n\ns-1605\n421blt77u4\ns32165\ncarbamicacid,(3,4-diethoxyphenyl)-,1-methylethylester\npowmyl\ndiethofenacarb\ndiethenofencarb\nac1l3mpj\nac1q5xx9\ndsstox_cid_17527\ndsstox_rid_79330\ndsstox_gsid_37527\nschembl22967\nchembl1880404\ndtxsid5037527\nlnjnfvjkdjyteu-uhfffaoysa-\nzinc900770\ntox21_301915\nakos015889914\nisopropyl(3,4-diethoxyphenyl)carbamate\nva10729\nncgc00163730-01\nncgc00255515-01\naj-24317\nan-35523\nls-49258\ns373\nsc-18146\nzb015226\ndiethofencarb10microg/mlincyclohexane\nax8124483\ncas-87130-20-9\ndiethofencarb10microg/mlinacetonitrile\nkb-254455\npesticide3_diethofencarb_c14h21no4_powmil\npropan-2-yl(3,4-diethoxyphenyl)carbamate\nft-0630949\n1-methylethyln-(3,4-diethoxyphenyl)carbamate\nc11077\ndiethofencarb,pestanal(r),analyticalstandard\n130d209\ni01-4394\n1135443-11-6\n116331-53-4\n99616-24-7\ninchi=1/c14h21no4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10h,5-6h2,1-4h3,(h,15,16)\n",null,null,1]
[5324,"9-(2-O-Butyryl-beta-D- arabinofuranosyl)adenine","87970-05-6","CCCC(=O)OC1C(OC(C1O)CO)n2c3c(nc2)c(N)ncn3",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,1]
[5326,"Butanedioic acid, (1-methylethenyl)-","87989-21-7","C=C(C)C(CC(=O)O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5333,"PROPANOL 1 (OR 2)-2-METHOXYMETHYL ETHOXY, ACETAT","88917-22-0",null,"CCC(OCCCOC)OC(C)=O",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5336,"3-Pyridinesulfonamide, 6-hydroxy-","89322-91-8","NS(=O)(=O)c1cnc(cc1)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5339,"Triadimenol (diastereoisomer A)","89482-17-7",null,"CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2",null,null,1,0,3,"Search at least two confirmations",null,"Stereochemistry removed, Isomeric mix",null,2]
[5340,"(+)(R)-6-hydroxy-4-methyl-caproaldehyde","89794-65-0","CC(CCO)CCC=O",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,0]
[5342,"Carbamic acid, sulfamoyl-, 2-ethylbutyl ester","89851-12-7","CCC(CC)COC(=O)NS(N)(=O)=O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5344,"2-Butenedioic acid, 2-methyl-, 1-ethyl ester, (E","89966-38-1",{"$nulls":3},"CCOC(=O)C(C)=CC(=O)O",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5348,"Butyric acid, 2,2'-dithiodi-","90114-01-5","CCC(SSC(CC)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5349,"Hexanoic acid, 2,5-dimethyl-","90201-13-1","CC(C)CCC(C)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5351,"Carbamic acid, sulfamoyl-, butyl ester","90324-88-2","CCCCOC(=O)NS(N)(=O)=O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5356,"Malonamide, 2,2-diethyl-N,N'-dimethyl-","90728-91-9","CCC(CC)(C(=O)NC)C(=O)NC",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5357,"Isoleucine, N-(2-cyanoethyl)-","90770-17-5","CCC(C)C(NCCC#N)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Stereochemistry removed",null,0]
[5358,"Carbamic acid, sulfamoyl-, 2-ethylhexyl ester","90796-83-1","CCCCC(CC)COC(=O)NS(N)(=O)=O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5362,"Hydrocinnamic acid, .beta.-methoxy-","91061-49-3","COC(CC(=O)O)c1ccccc1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5363,"Butanoic acid, 2,3-dibromo-2-methyl-","91114-65-7","CC(Br)C(C)(Br)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5364,"Succinanilic acid, 3-methyl-","91133-69-6","CC(CC(=O)O)C(=O)Nc1ccccc1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5366,"Lactic acid, dimethylthiocarbamate","91499-08-0","CN(C)C(O)=S",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5368,"Malonamide, 2,2-dihydroxy-N,N'diphenyl-","91732-73-9","O=C(Nc1ccccc1)C(O)(O)C(=O)Nc2ccccc2",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5371,"Pyran, 2,2'-oxybis[tetrahydro-6-methyl-","92038-29-4","CC1OC(CCC1)OC2OC(CCC2)C",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5372,"Guanidine, N-butyl-N'-sulfanilyl-","92059-15-9","CCCCNC(=N)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5376,"Propionic acid, 3,3-dimethyl-2,3'-iminodi-","92402-78-3","CC(C)C(NCCC(=O)O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5377,"pyrimido[5,4-d]pyrimidine-2,4,8(3h)-trione,1,7-","92474-94-7",null,"Cn1c(c2c(nc1)c(=O)n(C)c(=O)n2C)=O",null,"Cn1c(c2c(nc1)c(=O)n(C)c(=O)n2C)=O",2,0,2,"Verify Name","nsc515721\n92474-94-7\n1,3,7-trimethylpyrimido[5,4-d]pyrimidine-2,4,8-trione\nac1l6wzz\ndtxsid60325680\nnsc-515721\n",null,null,0]
[5379,"Glycine, N-naphthalene-2-sulfonyl)-","92740-48-2",null,"O=C(O)CNS(=O)(=O)c1cc2c(cc1)cccc2",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5381,"Pyrimido[5,4-d]pyrimidine-2,4,6,8(3H,7H)-tetrone","92876-74-9","O=C1NC(C=2C(=N1)C(=O)NC(=O)N2)=O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5384,"Pyrimido[5,4-d]pyrimidine-2,4,6,8(3H,7H)-tetrone","93506-59-3","O=C1NC(C=2C(=N1)C(=O)NC(=O)N2)=O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5391,"Phthalic acid, 3-sulfamoyl-","94617-43-3","NS(=O)(=O)c1c(c(ccc1)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5394,"1H-Imidazole-4-carboxylic acid, 2-bromo-5-methyl","95470-42-1",{"$nulls":3},"CCOC(=O)C1C(=NC(=N1)Br)C",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5407,"methyl(1-phenylsulfonyl)cyclopropanecarboxyla","97383-42-1",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccccc2",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccccc2",2,0,2,"Verify Name","97383-42-1\nmethyl1-(benzenesulfonyl)cyclopropane-1-carboxylate\ncyclopropanecarboxylicacid,1-(phenylsulfonyl)-,methylester\nac1l3qcy\nac1q6umq\nmethyl1-(phenylsulfonyl)cyclopropanecarboxylate\nschembl4004910\nctk3i8452\ndtxsid30242911\nmethyl1-phenylsulfonylcyclopropanecarboxylate\n1-(phenylsulfonyl)cyclopropanecarboxylicacidmethylester\n",null,null,1]
[5416,"Benzenesulfonic acid, pentabromo-","98137-88-3","O=S(=O)(O)c1c(c(c(c(c1Br)Br)Br)Br)Br",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5417,"s-Triazine, 2-(allylamino)-4-amino-","98197-51-4","C=CCNc1nc(ncn1)N",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5418,"Purin-2(1H)-one, 3,6-dihydro-3,7-dimethyl-","98335-22-9","CN1c2c(CNC1=O)n(cn2)C",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5420,"Pyrazinamide, N-2-pyrimidinyl-","98590-07-9","O=C(Nc1ncccn1)c2nccnc2",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5435,"Pyrazinamide, N-(4-methyl-2-pyrimidinyl)-","99057-45-1","Cc1nc(ncc1)NC(=O)c2nccnc2",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5436,"icia0051(sulcotrione)","99105-77-8",null,"CS(=O)(=O)c1cc(c(cc1)C(=O)C2C(CCCC2=O)=O)Cl",null,"CS(=O)(=O)c1cc(c(cc1)C(=O)C2C(CCCC2=O)=O)Cl",2,0,2,"Verify Name","sulcotrione\n99105-77-8\n2-(2-chloro-4-(methylsulfonyl)benzoyl)cyclohexane-1,3-dione\nchlormesulon\nunii-5ueh9sxw7v\n5ueh9sxw7v\n114680-61-4\n2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione\nchebi:83465\npqtbtifwaxvepb-uhfffaoysa-n\n2-[2-chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione\n1,3-cyclohexanedione,2-[2-chloro-4-(methylsulfonyl)benzoyl]-\n2-(2-chloro-4-(methylsulfonyl)benzoyl)-1,3-cyclohexanedione\n2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione\n1,3-cyclohexanedione,2-(2-chloro-4-(methylsulfonyl)benzoyl)-\n1,3-cyclohexanedione,2-[2-chloro-4-(methylsulfonyl)benzoyl]-\n123174-48-1\nsulcotrione[iso]\nc14h13clo5s\ngalleon\nmikado\nsc0051\nac1q5dzp\nacmc-1c5bv\nac1l3mr1\nschembl55030\n2-(2-chloro-4-mesylbenzoyl)cyclohexane-1,3-dione\nicia0051\nchembl2252422\ndtxsid9058230\nctk4a8852\n2-(2-chloro-4-methanesulfonylbenzoyl)-1,3-cyclohexanedione\nbdbm50075318\nsc0051\nakos015960856\nzinc100004255\ncs-7791\nds-6039\nac-12558\nan-34570\nm931\nax8152130\nhy-107368\nkb-220853\ntr-030394\nft-0642386\nsulcotrione,pestanal(r),analyticalstandard\n105s778\nc-36582\n2-(2-chloro-4-methanesulfonylbenzoyl)cyclohexane-1,3-dione\n1,3-cyclohexanedione,2-(2-chloro-4-methanesulfonylbenzoyl)-\n2-(2-chloro-4-methanesulfonylbenzoyl)-cyclohexane-1,3-dione\n2-(2-chloro-4-methanesulfonylbenzoyl)-cyclohexane-1,3-dione\n2-(2-chloro-4-methanesulphonylbenzoyl)-1,3-cyclohexanedione\n2-(2-chloro-4-methanesulfonyl-benzoyl)-3-hydroxy-cyclohex-2-enone\n2-(2-chloro-4-methylsulfonyl-benzoyl)cyclohexane-1,3-dione\n5bq\n",null,null,1]
[5448,"1-naphthalenepropanoicacid,.beta.-amino-,(¤)","100393-41-7",null,"NC(CC(=O)O)c1c2c(ccc1)cccc2",null,"NC(CC(=O)O)c1c2c(ccc1)cccc2",2,0,2,"Verify Name","100393-41-7\n3-amino-3-(1-naphthyl)propanoicacid\n3-amino-3-(naphthalen-1-yl)propanoicacid\n3-amino-3-naphthalen-1-yl-propionicacid\n1-naphthalenepropanoicacid,b-amino-\n3-amino-3-naphthylpropanoicacid\ncbdive_003465\naminonaphthylpropanoicacid\nac1mc9yp\nacmc-1bla7\nrarechemakhcs250\nschembl1520324\nctk3j8899\ndtxsid80377489\nmolport-002-054-102\nbb_sc-06342\nzx-cm014648\n7154ac\nbbl012153\nsbb095117\nstk731591\nakos000182210\nakos016045551\nab05537\nmcule-2918741223\nrp12464\nrtr-000156\n3-amino-3-(1-naph-thyl)propanoicacid\nks-000021n0\n1-naphthalenepropanoicacid,beta-amino-\n3-amino-3-naphthalen-1-ylpropanoicacid\nor307575\nsc-12426\ndb-058426\nkb-180546\ntr-000156\nbb0249714\nft-0680744\nst50210541\nw-6766\n9r-0635\ni04-5539\nj-511581\n","Stereochemistry removed",null,1]
[5455,"1,1-Bis-ethanesulfonylpropane","100911-61-3","CCC(S(=O)(=O)CC)S(=O)(=O)CC",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},1]
[5466,"7H-Purine-7-carboxylic acid, 1,2,3,6-tetrahydro-","101774-91-8","O=C(O)n1c2c(nc1)NCNC2",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5484,"4H-1,3-Thiazine-4-carboxylic acid, 2-amino-5,6-d","103983-05-7",{"$nulls":3},"NC=1SCCC(N1)C(=O)O",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5485,"ac263,222herbicide","104098-48-8",null,"Cc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O",null,"Cc1cc(c(nc1)C=2NC(C(N2)=O)(C)C(C)C)C(=O)O",2,0,2,"Verify Name","imazapic\nimazameth\n104098-48-8\nimazamethapyr\nimazmethapyr\nimazapic[iso]\ncadre(tradename)\nac263222\n3-pyridinecarboxylicacid,2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1h-imidazol-2-yl)-5-methyl-\n2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-5-methylnicotinicacid\n5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1h-imidazol-2-yl)pyridine-3-carboxylicacid\nhsdb7955\n81334-60-3\nac1l3mrs\nac1q5ti0\ndsstox_cid_14270\ndsstox_rid_79136\ndsstox_gsid_34270\nschembl19154\nschembl9676745\nchembl2251718\ndtxsid5034270\npvsgxwmwnrgtke-uhfffaoysa-n\nhy-b1860\ntox21_300901\nakos015895345\ncs-5209\n2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)-5-methylnicotins\nncgc00168318-01\nncgc00168318-02\nncgc00254805-01\n3-pyridinecarboxylicacid,2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1h-imidazol-2-yl)-5-methyl-,(.+/-.)-\nan-25603\ni479\nac-263222\nls-130984\ncas-104098-48-8\nft-0658050\nimazapic,pestanal(r),analyticalstandard\n098i488\na800896\ni06-0726\n2-(4-isopropyl-4-methyl-5-oxo-1h-imidazol-2-yl)-5-methyl-pyridine-3-carboxylicacid\n2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)-5-methylnicotinicacid\n2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1h-imidazol-2-yl)-5-methylnicotinicacid\n2-(5-isopropyl-5-methyl-4-oxoimidazolin-2-yl)-5-methyl-3-pyridinecarboxylicacid\n5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1h-imidazol-2-yl)-3-pyridinecarboxylicacid\n(+/-)-2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1h-imidazol-2-yl)-5-methyl-3-pyridinecarboxylicacid\n138672-98-7\n189506-95-4\n2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1h-imidazol-2-yl]-5-methyl-3-pyridinecarboxylicacid\n3-pyridinecarboxylicacid,2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1h-imidazol-2-yl)-5-methyl-,(+-)-\n5-methyl-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1h-imidazol-2-yl)pyridine-3-carboxylicacid\n",null,null,1]
[5486,"TRINEXAPAC","104273-73-6",null,null,"O=C1C(C(CC(C1)C(=O)O)=O)=C(O)C2CC2",null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5495,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","105951-31-3",{"$nulls":3},"NS(=O)(=O)c1sc2c(c1)C(CCS2)=O",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5504,"ACETAMIDE, 2-(BENZOYLOXY)-N-(1,1-DIMETHYLETHYL)-","106231-52-1","CC(C)(C)NC(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5505,"ACETAMIDE, 2-[[(BENZOYLOXY)ACETYL]AMINO]-","106231-53-2","NC(=O)CNC(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5510,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-PROPENYL)-","106231-58-7","C=CCN(CC=C)C(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5516,"GLYCINE, N-[(BENZOYLOXY)ACETYL]-N-METHYL-","106231-64-5","CN(CC(=O)O)C(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5517,"PIPERIDINE, 1-[(BENZOYLOXY)ACETYL]-","106231-67-8","O=C(OCC(=O)N1CCCCC1)c2ccccc2",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5518,"MORPHOLINE, 4-[(BENZOYLOXY)ACETYL]-","106231-68-9","O=C(OCC(=O)N1CCOCC1)c2ccccc2",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5528,"Sulfanilamide, N1-(4-isobutyl-2-pyrimidinyl)-","106596-34-3","CC(C)Cc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5529,"Acetanilide, 4'-(3-pyridazinylsulfamoyl)-","106840-27-1","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nnccc2",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5531,"Sulfanilamide, N1-(4-pentyl-2-pyrimidinyl)-","107203-72-5","CCCCCc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5535,"BENZENESULFONAMIDE, 4-[(2-HYDROXYETHYL)SULFONYL]","108966-49-0",{"$nulls":3},"NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCO",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5537,"BENZENESULFONAMIDE, 4-[3-HYDROXY-3-METHYLBUTYL)T","108966-53-6",{"$nulls":3},"CC(C)(O)CCSc1ccc(cc1)S(N)(=O)=O",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5539,"BENZENESULFONAMIDE, 4-[(3-HYDROXYPROPYL)SULFONYL","108966-55-8",{"$nulls":3},"NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCO",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5540,"BENZENESULFONAMIDE, 4-[3-HYDROXY-3-METHYLBUTYL)S","108966-56-9",{"$nulls":3},"CC(C)(O)CCS(=O)(=O)c1ccc(cc1)S(N)(=O)=O",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5541,"BENZENESULFONAMIDE, 4-[(2-HYDROXYETHYL)THIO]-3-N","108966-58-1",{"$nulls":3},"NS(=O)(=O)c1cc(c(cc1)SCCO)[N+](=O)[O-]",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5545,"BENZENESULFONAMIDE, 3-FLUORO-4-[(2-HYDROXYETHYL)","108966-70-7",{"$nulls":3},"NS(=O)(=O)c1cc(c(cc1)SCCO)F",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5546,"BENZENESULFONAMIDE, 3-FLUORO-4-[(3-HYDROXYPROPYL","108966-74-1",{"$nulls":3},"NS(=O)(=O)c1cc(c(cc1)SCCCO)F",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5547,"BENZENESULFONAMIDE, 3-FLUORO-4-[(4-HYDROXYBUTYL)","108966-75-2",{"$nulls":3},"NS(=O)(=O)c1cc(c(cc1)SCCCCO)F",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5548,"BENZENESULFONAMIDE, 3-FLUORO-4-[(2-HYDROXYETHYL)","108966-76-3",{"$nulls":3},"NS(=O)(=O)c1cc(c(cc1)S(=O)(=O)CCO)F",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5549,"BENZENESULFONAMIDE, 3-FLUORO-4-[(3-HYDROXYPROPYL","108966-77-4",{"$nulls":3},"NS(=O)(=O)c1cc(c(cc1)S(=O)(=O)CCCO)F",1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5550,"Benzenesulfonamide, 3-fluoro-4-[(4-hydroxybutyl)","108966-78-5",{"$nulls":3},"NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCCO",1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5551,"Hexanedioic acid, 2,5-dihydroxy-2,5-dimethyl-","108967-69-7","CC(O)(CCC(C)(O)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5553,"bas65400h","109293-97-2",null,"CC(=NNC(=O)Nc1cc(cc(c1)F)F)c2c(cccn2)C(=O)O",null,"CC(=NNC(=O)Nc1cc(cc(c1)F)F)c2c(cccn2)C(=O)O",2,0,2,"Verify Name","diflufenzopyr\ndiflufenzopyr[iso]\ndistinct\nunii-s0eiq4f6kn\nbas654h\nsan835h\nhsdb7010\ns0eiq4f6kn\n109293-97-2\n2-(1-((((3,5-difluorophenyl)amino)carbonyl)hydrazono)ethyl)-3-pyridinecarboxylicacid\n3-pyridinecarboxylicacid,2-(1-((((3,5-difluorophenyl)amino)carbonyl)hydrazono)ethyl)-\n2-[(e)-n-[(3,5-difluorophenyl)carbamoylamino]-c-methylcarbonimidoyl]pyridine-3-carboxylicacid\nac1o1lwg\ndsstox_cid_14538\ndsstox_gsid_34538\nschembl53982\nchembl1907209\ndtxsid8034538\ntox21_303700\nakos030543374\nncgc00163784-01\nncgc00356986-01\nls-130822\ncas-109293-97-2\n109293-97-2\n3-pyridinecarboxylicacid,2-[1-[2-[[(3,5-difluorophenyl)amino]carbonyl]hydrazinylidene]ethyl]-\nac1l3wzy\nacmc-20mc62\nctk0h9103\n2-[n-[(3,5-difluorophenyl)carbamoylamino]-c-methylcarbonimid\n2-[n-[(3,5-difluorophenyl)carbamoylamino]-c-methylcarbonimidoyl]pyridine-3-carboxylicacid\n109293-97-2\nac1nuotd\nschembl9630773\nirjqwzwmqcvola-dntjnydqsa-n\nzinc13827811\n2-[(z)-n-[(3,5-difluorophenyl)carbamoylamino]-c-methylcarbonimidoyl]pyridine-3-carboxylicacid\n","Stereochemistry removed",null,1]
[5557,"ACETAMIDE, N-[6,9-DIHYDRO-9-[(2-HYDROXYETHOXY)ME","110104-37-5",{"$nulls":3},"CC(=O)Nc1[nH]c2c(c(n1)=O)ncn2COCCO",1,0,3,"Search at least one confirmation",null,null,"Checked on ChemID",1]
[5578,"Benzenesulfonamide, 4-[(4-aminophenyl)sulfonyl]-","113597-78-7","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)S(N)(=O)=O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5586,"AZETIDINE, 1-[BENZOYLOXY(ACETYL)]-","115178-66-0","O=C(OCC(=O)N1CCC1)c2ccccc2",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5587,"1H-AZEPINE, HEXAHYDRO-1-[(BENZOYLOXY)ACETYL]-","115178-68-2","O=C(OCC(=O)N1CCCCCC1)c2ccccc2",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5588,"4-PIPERIDINOL, 1-[(BENZOYLOXY)ACETYL]-","115178-71-7","O=C(OCC(=O)N1CCC(CC1)O)c2ccccc2",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5593,"BUTANAMIDE, 4-(BENZOYLOXY)-N,N-DIMETHYL-","115178-78-4","CN(C)C(=O)CCCOC(=O)c1ccccc1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5595,"ACETAMIDE, N-ACETYL-2-(BENZOYLOXY)-N-METHYL-","115178-80-8","CC(=O)N(C)C(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5596,"ACETAMIDE, 2-(BENZOYLOXY)-N-(1-METHYLETHYL)-","115193-27-6","CC(C)NC(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5597,"ACETAMIDE, 2-(BENZOYLOXY)-N-BUTYL-","115193-28-7","CCCCNC(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5598,"ACETAMIDE, 2-(BENZOYLOXY)-N-HEXYL-","115193-29-8","CCCCCCNC(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5599,"PROPANAMIDE, 2-[[(BENZOYLOXY)ACETYL]AMINO]-","115193-30-1","CC(NC(=O)COC(=O)c1ccccc1)C(N)=O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5605,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(DIPROPYLAMINO)-","116482-75-8","CCCN(CCC)C1(C(C=CC=C1)C(=O)O)OC(C)=O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5608,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(4-MORPHOLINYL)-","116482-80-5","CC(=O)OC1(C(C=CC=C1)C(=O)O)N2CCOCC2",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5614,"L-Altraric acid","117468-79-8","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",{"$nulls":3},1,0,3,"Search at least one confirmation",null,"Stereochemistry removed","Checked on PubChem",1]
[5622,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(DIMETHYLAMINO)-","118247-04-4","CC(=O)OC1(C(C=CC=C1)C(=O)O)N(C)C",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5628,"2-THIOPHENESULFONAMIDE, 4-(4-HYDROXYBENZOYL)-","118993-57-0","NS(=O)(=O)c1scc(c1)C(=O)c2ccc(cc2)O",{"$nulls":3},1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[5629,"2-FURANSULFONAMIDE, 4-(4-METHOXYBENZOYL)-","118993-61-6","COc1ccc(cc1)C(=O)c2cc(oc2)S(N)(=O)=O",{"$nulls":3},1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[5630,"2-THIOPHENESULFONAMIDE, 4-(4-METHYLBENZOYL)-","119018-06-3","Cc1ccc(cc1)C(=O)c2cc(sc2)S(N)(=O)=O",{"$nulls":3},1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",1]
[5641,"cga219417(cyprodinil)","121552-61-2",null,"Cc1nc(nc(c1)C2CC2)Nc3ccccc3",null,"Cc1nc(nc(c1)C2CC2)Nc3ccccc3",2,0,2,"Verify Name","cyprodinil\n121552-61-2\n4-cyclopropyl-6-methyl-n-phenylpyrimidin-2-amine\n4-cyclopropyl-6-methyl-n-phenyl-2-pyrimidinamine\nunix\nhsdb7019\nunii-42p6t6ofwz\n2-pyrimidinamine,4-cyclopropyl-6-methyl-n-phenyl-\n42p6t6ofwz\nchebi:4045\nhaorkngnjcejbx-uhfffaoysa-n\n4-cyclopropyl-6-methyl-n-phenyl-pyrimidin-2-amine\ncga219417\n2-anilino-4-cyclopropyl-6-methylpyrimidine\nchorus\nchorus75wg\nac1l3be2\ndsstox_cid_12359\ndsstox_rid_78925\ndsstox_gsid_32359\nschembl22669\nchembl521027\ndtxsid1032359\nzinc900539\ntox21_300944\ncyprodinil10microg/mlinisooctane\nakos015915327\ncyprodinil100microg/mlinmethanol\naba-7726025\ncyprodinil10microg/mlinacetonitrile\nncgc00163795-01\nncgc00163795-02\nncgc00163795-03\nncgc00254846-01\nan-32859\ncc-26167\nzb015178\n2-anilino-4-methyl-6-cyclopropylpyrimidine\nls-134472\n2-anilino-4-methyl-6-cyclopropyl-pyrimidine\ncas-121552-61-2\nft-0603148\ncyprodinil,pestanal(r),analyticalstandard\n2-phenylamino-4-methyl-6-cyclopropylpyrimidine\nc10914\n552c612\na804753\nc-12780\ni14-6423\nj-004523\n4-cyclopropyl-6-methyl-n-phenyl-2-pyrimidinamine,9ci\n",null,null,1]
[5652,"Phthalic acid, 3,4-dimethoxy-, 2-ethyl ester","123796-70-3","CCOC(=O)c1c(c(c(cc1)OC)OC)C(=O)O",null,null,"CCOC(=O)c1c(c(c(cc1)OC)OC)C(=O)O",2,0,2,"Search at least one confirmation",{"$nulls":3},1]
[5673,"SSF-109 FUNGICIDE","129586-32-9",null,"OC1(C(CCCCC1)n2ncnc2)c3ccc(cc3)Cl",null,null,1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5682,"ssf-126","133408-50-1",null,"CNC(=O)C(=NOC)c1c(cccc1)Oc2ccccc2",null,"CN=C(O)C(=NOC)c1c(cccc1)Oc2ccccc2",2,0,2,"Verify Name","metominostrobin\n(e)-metominostrobin\n133408-50-1\nchebi:81831\n(2e)-2-methoxyimino-n-methyl-2-(2-phenoxyphenyl)acetamide\nac1nun3b\nschembl18652\nschembl54680\nchembl2253170\ndtxsid1057959\nhiirdduvrxcdbn-sdxdjhtjsa-n\nzinc38810687\nakos015903930\nc18559\n(e)-metominostrobin10ng/microlinacetonitrile\nj-006371\ni14-18130\nz-2-methoxyimino-n-methyl-2-(2phenoxyphenyl)acetamide\n(e)-metominostrobin,pestanal(r),analyticalstandard\nn-methyl-2-(2-phenoxyphenyl)-2-(methoxyimino)acetamide\n(z)-n-methyl-2-(2-phenoxyphenyl)-2-methoxyiminoacetamide\n(2e)-2-(methoxyimino)-n-methyl-2-(2-phenoxyphenyl)acetamide\nmethyl(e)-alpha-methoxyimino-n-methyl-2-phenoxyphenylacetamide\n(alphae)-alpha-(methoxyimino)-n-methyl-2-phenoxybenzeneacetamide\n(z)-metominostrobin\nmetominostrobin[iso]\nunii-6oh8uhe3za\n6oh8uhe3za\n133408-51-2\n(e)-metominostrobin\n133408-50-1\nschembl912965\nchembl2286642\nhiirdduvrxcdbn-obgwfsinsa-n\nzinc5700325\nakos030532729\nls-28519\n(z)-metominostrobin10ng/microlinacetonitrile\nj-006372\n(z)-|a-methoxyimino-n-methyl-2-phenoxyphenylacetamide\n(e)-n-methyl-2-(2-phenoxyphenyl)2-methoxyiminoacetamide\n(e)-n-methyl-2-(phenoxyphenyl)-2-methoxyiminoacetamide\n(z)-metominostrobin,pestanal(r),analyticalstandard\ne-2-methoxyimino-n-methyl-2-(2-phenoxyphenyl)acetamide\n(2z)-2-methoxyimino-n-methyl-2-(2-phenoxyphenyl)acetamide\n(e)-2-(2-phenoxyphenyl)-2-methoxyimino-n-methylacetamide\n(e)-n-methyl-2-(2-phenoxyphenyl)-2-methoxyiminoacetamide\n(e)-n-methyl-2-(2-phenoxyphenyl)-2-methoxyiminoacetamide\n(z)-2-methoxyimino-n-methyl-2-(2-phenoxyphenyl)acetamide\nmethyl(e)-|a-methoxyimino-n-methyl-2-phenoxyphenylacetamide\nhiirdduvrxcdbn-uhfffaoysa-n\n(e)-metominostrobin\n133408-50-1\nmethominostrobin(e)\nctk8e8533\nctk8e8536\nmethyl-2-(2-phenoxyphenyl)-2-methoxyiminoacetamide\nn-methyl-2-(2-phenoxyphenyl)-2methoxyiminoacetamide\nn-methyl-2-(2-phenoxyphenyl)-2-methoxyiminoacetamide\n","Stereochemistry removed",null,0]
[5688,"BENZENESULFONAMIDE, 4-[(4-HYDROXYBUTYL)THIO]-","135832-41-6","NS(=O)(=O)c1ccc(cc1)SCCCCO",{"$nulls":3},1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",0]
[5691,"BENZENESULFONAMIDE, 4-(3-HYDROXYPROPYL)-","135832-46-1","NS(=O)(=O)c1ccc(cc1)CCCO",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5693,"BENZENESULFONAMIDE, 4-(4-HYDROXYBUTYL)-","135832-48-3","NS(=O)(=O)c1ccc(cc1)CCCCO",{"$nulls":3},1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",0]
[5694,"BENZENESULFONAMIDE, 4-(5-HYDROXYPENTYL)-","135832-50-7","NS(=O)(=O)c1ccc(cc1)CCCCCO",{"$nulls":3},1,0,3,"Search at least one confirmation",null,null,"Checked on PubChem",0]
[5700,"Ethyl 2-formamido (dioxo-phenyl) acrylate","136986-57-7",null,null,"CCOC(=O)C(=Cc1cc2c(cc1)OCO2)N=CO","CCOC(=O)C(=Cc1cc2c(cc1)OCO2)N=CO",2,0,2,"Search at least one confirmation",null,"Stereochemistry removed",null,1]
[5701,"Ethyl 2-formamido (3,4-dimethoxyphenyl) acrylate","136986-58-8",null,null,"CCOC(=O)C(=Cc1cc(c(cc1)OC)OC)N=CO","CCOC(=O)C(=Cc1cc(c(cc1)OC)OC)N=CO",2,0,2,"Search at least one confirmation",null,"Stereochemistry removed",null,1]
[5702,"Ethyl 2-formamido (4-methoxyphenyl) acrylate","136986-59-9",null,null,"CCOC(=O)C(=Cc1ccc(cc1)OC)N=CO","CCOC(=O)C(=Cc1ccc(cc1)OC)N=CO",2,0,2,"Search at least one confirmation",null,"Stereochemistry removed",null,1]
[5703,"Ethyl 2-formamido (4-nitrophenyl) acrylate","136986-60-2",null,null,"CCOC(=O)C(=Cc1ccc(cc1)[N+](=O)[O-])N=CO","CCOC(=O)C(=Cc1ccc(cc1)[N+](=O)[O-])N=CO",2,0,2,"Search at least one confirmation",null,"Stereochemistry removed",null,1]
[5704,"Ethyl 2-formamido (3-nitrophenyl) acrylate","136986-61-3",null,null,"CCOC(=O)C(=Cc1cc(ccc1)[N+](=O)[O-])N=CO","CCOC(=O)C(=Cc1cc(ccc1)[N+](=O)[O-])N=CO",2,0,2,"Search at least one confirmation",null,"Stereochemistry removed",null,1]
[5705,"Ethyl 2-formamido (4-chlorophenyl) acrylate","136986-62-4",null,null,"CCOC(=O)C(=Cc1ccc(cc1)Cl)N=CO","CCOC(=O)C(=Cc1ccc(cc1)Cl)N=CO",2,0,2,"Search at least one confirmation",null,"Stereochemistry removed",null,1]
[5707,"Ethyl 2-formamido (3-chlorophenyl) acrylate","137013-29-7",null,null,"CCOC(=O)C(=Cc1cc(ccc1)Cl)N=CO","CCOC(=O)C(=Cc1cc(ccc1)Cl)N=CO",2,0,2,"Search at least one confirmation",null,"Stereochemistry removed",null,1]
[5715,"methyl(1-(4-methyl)phenylsulfonyl)cyclopropane","145348-19-2",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C",2,0,2,"Verify Name","145348-19-2\ncyclopropanecarboxylicacid,1-((4-methylphenyl)sulfonyl)-,methylester\nmethyl1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate\nmethyl1-((4-methylphenyl)sulfonyl)cyclopropanecarboxylate\nac1l3bk5\ndtxsid30162988\n1-[(4-methylphenyl)sulfonyl]cyclopropanecarboxylicacidmethylester\n",null,null,1]
[5716,"ethyl(1-(4-methyl)phenylsulfonyl)cyclopropane","145348-20-5",null,"CCOC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C",null,"CCOC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C",2,0,2,"Verify Name","cyclopropanecarboxylicacid,1-((4-methylphenyl)sulfonyl)-,ethylester\n145348-20-5\nethyl1-((4-methylphenyl)sulfonyl)cyclopropanecarboxylate\nac1l3bk8\ndtxsid90162989\n1-tosylcyclopropanecarboxylicacidethylester\nethyl1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate\n",null,null,1]
[5717,"isopropyl(1-(4-methyl)phenylsulfonyl)cycloprop","145348-21-6",null,"Cc1ccc(cc1)S(=O)(=O)C2(CC2)C(=O)OC(C)C",null,"Cc1ccc(cc1)S(=O)(=O)C2(CC2)C(=O)OC(C)C",2,0,2,"Verify Name","cyclopropanecarboxylicacid,1-((4-methylphenyl)sulfonyl)-,1-methylethylester\n145348-21-6\nac1l3bkb\n1-methylethyl1-((4-methylphenyl)sulfonyl)cyclopropanecarboxylate\ndtxsid00162990\npropan-2-yl1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate\n1-[(4-methylphenyl)sulfonyl]cyclopropanecarboxylicacidisopropylester\n",null,null,0]
[5718,"methyl(1-(4-chloro)phenylsulfonyl)cyclopropane","145348-22-7",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",2,0,2,"Verify Name","145348-22-7\ncyclopropanecarboxylicacid,1-((4-chlorophenyl)sulfonyl)-,methylester\nmethyl1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylate\nmethyl1-((4-chlorophenyl)sulfonyl)cyclopropanecarboxylate\nac1l3bke\ncbmicro_027376\ndtxsid60162991\nmolport-003-182-484\nbim-0027326.p001\n1-[(4-chlorophenyl)sulfonyl]cyclopropanecarboxylicacidmethylester\n",null,null,0]
[5719,"isopropyl(1-(4-chloro)phenylsulfonyl)cycloprop","145348-23-8",null,"CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",null,"CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",2,0,2,"Verify Name","cyclopropanecarboxylicacid,1-((4-chlorophenyl)sulfonyl)-,1-methylethylester\n145348-23-8\nac1l3bkh\n1-methylethyl1-((4-chlorophenyl)sulfonyl)cyclopropanecarboxylicacid\ndtxsid20162992\npropan-2-yl1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylate\n1-[(4-chlorophenyl)sulfonyl]cyclopropanecarboxylicacidisopropylester\n",null,null,0]
[5720,"tert-butyl(1-(4-chloro)phenylsulfonyl)cyclopro","145348-24-9",null,"CC(C)(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",null,"CC(C)(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",2,0,2,"Verify Name","cyclopropanecarboxylicacid,1-((4-chlorophenyl)sulfonyl)-,1,1-dimethylethylester\n145348-24-9\nac1l3bkk\n1,1-dimethylethyl1-((4-chlorophenyl)sulfonyl)cyclopropanecarboxylate\ndtxsid80162993\ntert-butyl1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxylate\n1-[(4-chlorophenyl)sulfonyl]cyclopropanecarboxylicacidtert-butylester\n",null,null,0]
[5721,"methyl(1-(4-bromo)phenylsulfonyl)cyclopropane","145348-25-0",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Br",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Br",2,0,2,"Verify Name","145348-25-0\ncyclopropanecarboxylicacid,1-((4-bromophenyl)sulfonyl)-,methylester\nmethyl1-(4-bromophenyl)sulfonylcyclopropane-1-carboxylate\ncyclopropanecarboxylicacid,1-[(4-bromophenyl)sulfonyl]-,methylester\nmethyl1-((4-bromophenyl)sulfonyl)cyclopropanecarboxylate\nacmc-20n4hs\nac1l3bkn\nctk4c4489\ndtxsid40162994\nmolport-019-773-238\nzinc5700789\nakos030592727\n1-[(4-bromophenyl)sulfonyl]cyclopropanecarboxylicacidmethylester\n",null,null,0]
[5722,"methyl(1-(4-nitro)phenylsulfonyl)cyclopropane","145348-26-1",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",2,0,2,"Verify Name","145348-26-1\ncyclopropanecarboxylicacid,1-((4-nitrophenyl)sulfonyl)-,methylester\ncyclopropanecarboxylicacid,1-[(4-nitrophenyl)sulfonyl]-,methylester\nmethyl1-((4-nitrophenyl)sulfonyl)cyclopropanecarboxylate\nacmc-20n4ht\nac1l3bkq\nctk4c4490\ndtxsid00162995\nakos030592729\nmethyl1-(4-nitrophenyl)sulfonylcyclopropane-1-carboxylate\n1-[(4-nitrophenyl)sulfonyl]cyclopropanecarboxylicacidmethylester\ncyclopropanecarboxylicacid,1-[(4-nitrophenyl)sulfonyl]-,methylester\n",null,null,0]
[5723,"isopropyl(1-(4-nitro)phenylsulfonyl)cyclopropa","145348-27-2",null,"CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",null,"CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",2,0,2,"Verify Name","145348-27-2\ncyclopropanecarboxylicacid,1-((4-nitrophenyl)sulfonyl)-,1-methylethylester\nac1l3bkt\ndtxsid60162996\n1-methylethyl1-((4-nitrophenyl)sulfonyl)cyclopropanecarboxylate\npropan-2-yl1-(4-nitrophenyl)sulfonylcyclopropane-1-carboxylate\n1-[(4-nitrophenyl)sulfonyl]cyclopropanecarboxylicacidisopropylester\ncyclopropanecarboxylicacid,1-[(4-nitrophenyl)sulfonyl]-,1-methylethylester\n",null,null,0]
[5725,"cloransulam","147150-35-4",null,"CCOc1n2c(cc(n1)F)nc(S(=O)(=O)Nc3c(cccc3Cl)C(=O)OC)n2","CCOc1n2c(cc(n1)F)nc(S(=O)(=O)Nc3c(cccc3Cl)C(=O)O)n2","CCOc1n2c(cc(n1)F)nc(S(=O)(=O)Nc3c(cccc3Cl)C(=O)OC)n2",2,1,1,"Verify Name","cloransulam-methyl\n147150-35-4\nfirstrate\ncloransulam-methyl\ncloransulam-methyl[iso]\nunii-n9p737z6ho\nde565\nn9p737z6ho\nmethyl3-chloro-2-(((5-ethoxy-7-fluoro(1,2,4)triazolo(1,5-c)pyrimidin-2-yl)sulfonyl)amino)benzoate\nmethyl3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]benzoate\nhsdb7009\ncloransulammethyl\nmethyl3-chloro-2-[[(5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]amino]benzoate\nmethyl3-chloro-2-{[(5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]amino}benzoate\ncloransulam-methyl,bsi\nac1l3bkw\ndsstox_cid_14372\ndsstox_gsid_34372\nschembl64266\nchebi:3760\ndtxsid8034372\nxde565\nbikacryiqslicj-uhfffaoysa-n\nzinc900525\ntox21_304004\nncgc00356992-01\ncas-147150-35-4\nft-0612199\nc10907\n150c354\ncloransulam-methyl,pestanal(r),analyticalstandard\nbenzoicacid,3-chloro-2-(((5-ethoxy-7-fluoro(1,2,4)triazolo(1,5-c)pyrimidin-2-yl)sulfonyl)amino)-,methylester\nmethyl3-chloro-2-(5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidin-2-ylsulfonamido)benzoate\nmethyl3-chloro-2-(5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamido)benzoate\nmethyl3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[5,1-c]pyrimidin-2-yl)sulfonylamino]benzoate\nmethyl3-chloro-2-{5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamido}benzoate\nmethyl3-chloro-n-(5-ethoxy-7-fluoro[1,2,4]triazolo[1,5-c]pyrimidin-2-ylsulfonyl)anthranilate\nn-(2-chloro-6-methoxycarbonylphenyl)-7-fluoro-5-ethoxy[1,2,4]triazolo[1,5-c]-pyrimidine-2-sulfonamide\nn-(2-chloro-6-methoxycarbonylphenyl)-7-fluoro-5-ethoxy[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide\n",null,null,0]
[5726,"d2341(bifenazate)","149877-41-8",null,"COc1c(cc(cc1)-c2ccccc2)NNC(=O)OC(C)C",null,"COc1c(cc(cc1)-c2ccccc2)NNC(=O)OC(C)C",2,0,2,"Verify Name","bifenazate\n149877-41-8\nfloramite\nbifenazate[iso]\nisopropyl2-(4-methoxy-[1,1'-biphenyl]-3-yl)hydrazinecarboxylate\nunii-24z9qw0505\nhsdb7002\nepapesticidechemicalcode000586\nd2341\nchebi:38660\nd2341\n24z9qw0505\nisopropyl2-(4-methoxybiphenyl-3-yl)hydrazinecarboxylate\npropan-2-yln-(2-methoxy-5-phenylanilino)carbamate\npropan-2-yl2-(4-methoxy[1,1'-biphenyl]-3-yl)hydrazinecarboxylate\n2-(4-methoxy(1,1'-biphenyl)-3-yl)hydrazinecarboxylicacid1-methylethylester\nhydrazinecarboxylicacid,2-(4-methoxy(1,1'-biphenyl)-3-yl)-,1-methylethylester\nccris9247\nac1l42eq\ndsstox_cid_12525\ndsstox_rid_78968\ndsstox_gsid_32525\nschembl26414\nchembl1872845\ndtxsid5032525\nvhlktxfwdrxilv-uhfffaoysa-n\nbcp06313\nzinc2511856\ntox21_300871\n7479aa\nakos015900766\nrl01911\nncgc00163782-01\nncgc00163782-02\nncgc00163782-03\nncgc00254775-01\naj-36601\nls-76676\nax8245043\nkb-254461\ncas-149877-41-8\nft-0736041\nbifenazate,pestanal(r),analyticalstandard\nc18589\nd-2341\nj-519850\ni14-16337\nisopropyl2-(4-methoxy-3-biphenylyl)hydrazinecarboxylate\npropan-2-yln-[(2-methoxy-5-phenylphenyl)amino]carbamate\n1-methylethyl2-(4-methoxybiphenyl-3-yl)hydrazinecarboxylate\nisopropyl2-(4-methoxy-[1,1'-biphenyl]-3-yl)hydrazinecarboxylate\npesticide3_bifenazate_c17h20n2o3_1-methylethyl2-(4-methoxybiphenyl-3-yl)hydrazinecarboxylate\n",null,null,1]
[5734,"isopropyl(1-(4-nitro)phenylsulfonyl)cyclobutan","160790-03-4",null,"CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",null,"CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",2,0,2,"Verify Name","cyclobutanecarboxylicacid,1-((4-nitrophenyl)sulfonyl)-,1-methylethylester\n160790-03-4\nac1l3blk\ndtxsid10166989\npropan-2-yl1-(4-nitrophenyl)sulfonylcyclobutane-1-carboxylate\n1-[(4-nitrophenyl)sulfonyl]cyclobutanecarboxylicacidisopropylester\n",null,null,1]
[5735,"isopropyl(1-(4-nitro)phenylsulfonyl)cyclohexan","160790-04-5",null,"CC(C)OC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",null,"CC(C)OC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",2,0,2,"Verify Name","cyclohexanecarboxylicacid,1-((4-nitrophenyl)sulfonyl)-,1-methylethylester\n160790-04-5\nac1l3bln\ndtxsid20166990\npropan-2-yl1-(4-nitrophenyl)sulfonylcyclohexane-1-carboxylate\n1-[(4-nitrophenyl)sulfonyl]cyclohexanecarboxylicacidisopropylester\n",null,null,1]
[5736,"isopropyl(1-(4-nitro)phenylsulfonyl)cyclohepta","160790-05-6",null,"CC(C)OC(=O)C1(CCCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",null,"CC(C)OC(=O)C1(CCCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",2,0,2,"Verify Name","160790-05-6\ncycloheptanecarboxylicacid,1-((4-nitrophenyl)sulfonyl)-,1-methylethylester\nac1l3blq\ndtxsid80166991\npropan-2-yl1-(4-nitrophenyl)sulfonylcycloheptane-1-carboxylate\n1-[(4-nitrophenyl)sulfonyl]cycloheptanecarboxylicacidisopropylester\ncycloheptanecarboxylicacid,1-[(4-nitrophenyl)sulfonyl]-,1-methylethylester\n",null,null,1]
[5737,"me(1-(4-bromo)phenylsulfonyl)cyclobutanecarbo","160790-06-7",null,"COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Br",null,"COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Br",2,0,2,"Verify Name","160790-06-7\ncyclobutanecarboxylicacid,1-((4-bromophenyl)sulfonyl)-,methylester\nmethyl1-(4-bromophenyl)sulfonylcyclobutane-1-carboxylate\nac1l3blt\ndtxsid40166992\n1-[(4-bromophenyl)sulfonyl]cyclobutanecarboxylicacidmethylester\n",null,null,1]
[5738,"me(1-(4-bromo)phenylsulfonyl)cyclopentanecarb","160790-07-8",null,"COC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Br",null,"COC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Br",2,0,2,"Verify Name","160790-07-8\ncyclopentanecarboxylicacid,1-((4-bromophenyl)sulfonyl)-,methylester\nmethyl1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate\ncbmicro_027073\nac1l3qf8\nac1q41v0\ndtxsid00166993\nmolport-001-836-837\nzinc5510673\nbim-0027054.p001\nsr-01000215994\nsr-01000215994-1\nmethyl1-[(4-bromobenzene)sulfonyl]cyclopentane-1-carboxylate\n1-[(4-bromophenyl)sulfonyl]cyclopentanecarboxylicacidmethylester\n",null,null,1]
[5739,"me(1-(4-bromo)phenylsulfonyl)cyclohexanecarbo","160790-08-9",null,"COC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)Br",null,"COC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)Br",2,0,2,"Verify Name","cyclohexanecarboxylicacid,1-((4-bromophenyl)sulfonyl)-,methylester\n160790-08-9\nac1l3blw\ndtxsid60166994\nmethyl1-(4-bromophenyl)sulfonylcyclohexane-1-carboxylate\n1-[(4-bromophenyl)sulfonyl]cyclohexanecarboxylicacidmethylester\n",null,null,1]
[5740,"me(1-(4-chloro)phenylsulfonyl)cyclobutanecarb","160790-09-0",null,"COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Cl",null,"COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Cl",2,0,2,"Verify Name","160790-09-0\ncyclobutanecarboxylicacid,1-((4-chlorophenyl)sulfonyl)-,1-methylethylester\nmethyl1-(4-chlorophenyl)sulfonylcyclobutane-1-carboxylate\nac1l3blz\ndtxsid20166995\n1-[(4-chlorophenyl)sulfonyl]cyclobutanecarboxylicacidmethylester\n",null,null,1]
[5741,"isopropyl(1-(4-chloro)phenylsulfonyl)cyclopent","160790-10-3",null,"CC(C)OC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Cl",null,"CC(C)OC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Cl",2,0,2,"Verify Name","cyclopentanecarboxylicacid,1-((4-chlorophenyl)sulfonyl)-,1-methylethylester\n160790-10-3\nac1l3bm2\ndtxsid80166996\npropan-2-yl1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate\n1-[(4-chlorophenyl)sulfonyl]cyclopentanecarboxylicacidisopropylester\n",null,null,0]
[5742,"isopropyl(1-(4-methyl)phenylsulfonyl)cyclobuta","160790-13-6",null,"CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccccc2",null,"CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccccc2",2,0,2,"Verify Name","cyclobutanecarboxylicacid,1-((4-methylphenyl)sulfonyl)-,1-methylethylester\n160790-13-6\nac1l3qhn\ndtxsid60166999\npropan-2-yl1-(benzenesulfonyl)cyclobutane-1-carboxylate\n",null,null,0]
[5743,"ethyl(1-(4-methyl)phenylsulfonyl)cyclobutanec","160790-14-7",null,"CCOC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)C",null,"CCOC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)C",2,0,2,"Verify Name","160790-14-7\ncyclobutanecarboxylicacid,1-((4-methylphenyl)sulfonyl)-,ethylester\nethyl1-(4-methylphenyl)sulfonylcyclobutane-1-carboxylate\nac1l3qfb\nctk0i0225\ndtxsid40167000\nakos030599464\n1-[(4-methylphenyl)sulfonyl]cyclobutanecarboxylicacidethylester\n",null,null,1]
[5744,"methyl(1-phenylsulfonyl)cyclobutanecarboxylat","160790-17-0",null,"COC(=O)C1(CCC1)S(=O)(=O)c2ccccc2",null,"COC(=O)C1(CCC1)S(=O)(=O)c2ccccc2",2,0,2,"Verify Name","160790-17-0\ncyclobutanecarboxylicacid,1-(phenylsulfonyl)-,methylester\nmethyl1-(benzenesulfonyl)cyclobutane-1-carboxylate\nac1l3qhq\ndtxsid20167003\n1-(phenylsulfonyl)cyclobutanecarboxylicacidmethylester\n",null,null,1]
[5745,"methyl(1-phenylsulfonyl)cyclopentanecarboxyla","160790-18-1",null,"COC(=O)C1(CCCC1)S(=O)(=O)c2ccccc2",null,"COC(=O)C1(CCCC1)S(=O)(=O)c2ccccc2",2,0,2,"Verify Name","160790-18-1\ncyclopentanecarboxylicacid,1-(phenylsulfonyl)-,methylester\nmethyl1-(benzenesulfonyl)cyclopentane-1-carboxylate\nac1l3bm5\ndtxsid80167004\n1-(phenylsulfonyl)cyclopentanecarboxylicacidmethylester\n",null,null,1]
[5746,"methyl(1-phenylsulfonyl)cyclohexanecarboxylat","160790-19-2",null,"COC(=O)C1(CCCCC1)S(=O)(=O)c2ccccc2",null,"COC(=O)C1(CCCCC1)S(=O)(=O)c2ccccc2",2,0,2,"Verify Name","160790-19-2\ncyclohexanecarboxylicacid,1-(phenylsulfonyl)-,methylester\nmethyl1-(phenylsulfonyl)cyclohexane-1-carboxylate\nmethyl1-(benzenesulfonyl)cyclohexane-1-carboxylate\nac1l3qht\nctk4d0582\ndtxsid40167005\nzinc5996815\nakos030614227\nkb-254774\n1-(phenylsulfonyl)cyclohexanecarboxylicacidmethylester\ncyclohexanecarboxylicacid,1-(phenylsulfonyl)-,methylester\n",null,null,1]
[5752,"MB-599","185676-84-0",{"$nulls":3},"CC#CCOC(C)c1cc(c(cc1)OC)OC",1,0,3,"Search at least two confirmations",{"$nulls":3},0]
[5753,"Ethyl 2-formamido (2-chlorophenyl) acrylate","336111-17-2",null,null,"CCOC(=O)C(=Cc1c(cccc1)Cl)N=CO","CCOC(=O)C(=Cc1c(cccc1)Cl)N=CO",2,0,2,"Search at least one confirmation",null,"Stereochemistry removed",null,1]
[5754,"Ethyl 2-formamido-(furan-3-yl)acrylate","336111-18-3","CCOC(=O)C(=Cc1cocc1)NC=O",{"$nulls":3},1,0,3,"Search at least two confirmations",{"$nulls":3},2]
[5755,"3-PENTYL NITRATE","SRC002-52-9","CCC(CC)O[N+](=O)[O-]",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Missing CAS",null,0]
[5756,"5-Bromo-3-hydroxybenzaldehyde","SRC003-41-9","O=Cc1cc(cc(c1)O)Br",{"$nulls":3},1,0,3,"Search at least two confirmations",null,"Missing CAS",null,0]
[5763,"D6-Anthrquinone Dye","SRC003-67-5",null,null,"Nc1c2c(c(cc1OC3CC=C(C=C3)N4C(CCCCC4)=O)O)C(c5c(C2=O)cccc5)=O",null,1,0,3,"Search at least two confirmations",null,"Missing CAS",null,0]

{"sheet":"FullOutput","index":3,"n_rows":5762,"n_cols":17,"rows_kept":5762}
["Original ID","New ID","CHEMICAL","CAS_NO","smiles_CIR_Name - Neutralized","smiles_CIR_CAS - Neutralized","smiles_CompTox_Name - Neutralized","smiles_CompTox_CAS - Neutralized","Equal (Tautomers)","Different (Tautomers)","Missing (Tautomers)","Different SMILES more than equals?","Different SMILES from CAS?","Check","Notes","Duplicates","Warnings"]
[1,4342,"FORMALDEHYDE","50-00-0","C=O","C=O","C=O",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2,1805,"DEXAMETHASONE","50-02-2","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",4,0,0,"NO","NO","Mantain","High Reliability","1766","Stereochemistry removed"]
[3,1837,"HYDROCORTISONE ACETATE","50-03-3","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4,1832,"CORTISONE ACETATE","50-04-4","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(=O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(=O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(=O)C2)C)O",null,3,0,1,"NO","NO","Mantain","Medium Reliability","57","Stereochemistry removed"]
[5,581,"PHENOBARBITAL","50-06-6","CCC1(C(NC(NC1=O)=O)=O)c2ccccc2","CCC1(C(NC(NC1=O)=O)=O)c2ccccc2","CCC1(C(NC(NC1=O)=O)=O)c2ccccc2",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[6,4125,"METHARBITAL","50-11-3","CCC1(C(N(C(NC1=O)=O)C)=O)CC","CCC1(C(N(C(NC1=O)=O)C)=O)CC","CCC1(C(N(C(NC1=O)=O)C)=O)CC","CCC1(C(N(C(NC1=O)=O)C)=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[7,1353,"MEPERIDINE","50-13-5","CCOC(=O)C1(CCN(CC1)C)c2ccccc2","CCOC(=O)C1(CCN(CC1)C)c2ccccc2","CCOC(=O)C1(CCN(CC1)C)c2ccccc2",null,3,0,1,"NO","NO","Mantain","Medium Reliability","125"]
[8,3287,"CYCLOPHOSPHAMIDE","50-18-0","O=P1(OCCCN1)N(CCCl)CCCl","O=P1(OCCCN1)N(CCCl)CCCl","O=P1(OCCCN1)N(CCCl)CCCl","O=P1(OCCCN1)N(CCCl)CCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[9,439,"HYDROXYPHENAMATE","50-19-1","CCC(O)(COC(N)=O)c1ccccc1","CCC(O)(COC(N)=O)c1ccccc1",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[10,2148,"LACTIC ACID","50-21-5","CC(O)C(=O)O","CC(O)C(=O)O","CC(O)C(=O)O","CC(O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","290, 2354"]
[11,1757,"CORTICOSTERONE","50-22-6","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C)C(C(=O)CO)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C)C(C(=O)CO)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C)C(C(=O)CO)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C)C(C(=O)CO)CC4",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[12,1758,"HYDROCORTISONE","50-23-7","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[13,1752,"PREDNISOLONE","50-24-8","CC12C(=CC(C=C1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C","CC12C(=CC(C=C1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C","CC12C(=CC(C=C1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C","CC12C(=CC(C=C1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C",4,0,0,"NO","NO","Mantain","High Reliability","68","Stereochemistry removed"]
[14,1575,"ESTRADIOL","50-28-2","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O",4,0,0,"NO","NO","Mantain","High Reliability","141","Stereochemistry removed"]
[15,1256,"P,P'-DDT","50-29-3","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[16,3357,"2,6-DICHLOROBENZOIC ACID","50-30-6","O=C(O)c1c(cccc1Cl)Cl","O=C(O)c1c(cccc1Cl)Cl","O=C(O)c1c(cccc1Cl)Cl","O=C(O)c1c(cccc1Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[17,3344,"2,3,6-TRICHLOROBENZOIC ACID","50-31-7","O=C(O)c1c(c(ccc1Cl)Cl)Cl","O=C(O)c1c(c(ccc1Cl)Cl)Cl","O=C(O)c1c(c(ccc1Cl)Cl)Cl","O=C(O)c1c(c(ccc1Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[18,1672,"BENZO(A)PYRENE","50-32-8","c1cc2c(cc1)c3ccc4cccc5ccc(c2)c3c54","c1cc2c(cc1)c3ccc4cccc5ccc(c2)c3c54","c1cc2c(cc1)c3ccc4cccc5ccc(c2)c3c54","c1cc2c(cc1)c3ccc4cccc5ccc(c2)c3c54",4,0,0,"NO","NO","Mantain","High Reliability",""]
[19,1632,"PHENYLBUTAZONE","50-33-9","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[20,973,"THALIDOMIDE","50-35-1","O=C1NC(C(CC1)N2C(c3c(C2=O)cccc3)=O)=O","O=C1NC(C(CC1)N2C(c3c(C2=O)cccc3)=O)=O","O=C1NC(C(CC1)N2C(c3c(C2=O)cccc3)=O)=O","O=C1NC(C(CC1)N2C(c3c(C2=O)cccc3)=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[21,1508,"COCAINE","50-36-2","COC(=O)C1C2CCC(CC1OC(=O)c3ccccc3)N2C",null,"COC(=O)C1C2CCC(CC1OC(=O)c3ccccc3)N2C","COC(=O)C1C2CCC(CC1OC(=O)c3ccccc3)N2C",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[22,2604,"6-PURINETHIOL HYDRATE","50-44-2","Sc1c2c(ncn1)nc[nH]2","S=c1c2c([nH]cn1)nc[nH]2",null,"S=c1c2c(nc[nH]1)[nH]cn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[23,1566,"DESIPRAMINE","50-47-5","CNCCCN1c2c(CCc3c1cccc3)cccc2","CNCCCN1c2c(CCc3c1cccc3)cccc2","CNCCCN1c2c(CCc3c1cccc3)cccc2","CNCCCN1c2c(CCc3c1cccc3)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[24,1699,"amitryptyline","50-48-6",null,"CN(C)CCC=C1c2c(CCc3c1cccc3)cccc2",null,"CN(C)CCC=C1c2c(CCc3c1cccc3)cccc2",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[25,1645,"IMIPRAMINE","50-49-7","CN(C)CCCN1c2c(CCc3c1cccc3)cccc2","CN(C)CCCN1c2c(CCc3c1cccc3)cccc2","CN(C)CCCN1c2c(CCc3c1cccc3)cccc2","CN(C)CCCN1c2c(CCc3c1cccc3)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[26,1487,"CHLORPROMAZINE","50-53-3","CN(C)CCCN1c2c(Sc3c1cccc3)ccc(Cl)c2","CN(C)CCCN1c2c(Sc3c1cccc3)ccc(Cl)c2","CN(C)CCCN1c2c(Sc3c1cccc3)ccc(Cl)c2","CN(C)CCCN1c2c(Sc3c1cccc3)ccc(Cl)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[27,2039,"RESERPINE","50-55-5","COC(=O)C1C(C(CC2C1CC3N(CCc4c3[nH]c5c4ccc(c5)OC)C2)OC(=O)c6cc(c(c(c6)OC)OC)OC)OC","COC(=O)C1C(C(CC2C1CC3N(CCc4c3[nH]c5c4ccc(c5)OC)C2)OC(=O)c6cc(c(c(c6)OC)OC)OC)OC","COC(=O)C1C(C(CC2C1CC3N(CCc4c3[nH]c5c4ccc(c5)OC)C2)OC(=O)c6cc(c(c(c6)OC)OC)OC)OC","COC(=O)C1C(C(CC2C1CC3N(CCc4c3[nH]c5c4ccc(c5)OC)C2)OC(=O)c6cc(c(c(c6)OC)OC)OC)OC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[28,1086,"NICLOSAMIDE","50-65-7","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O",4,0,0,"NO","NO","Mantain","High Reliability","2899"]
[29,57,"5-HYDROXYTRYPTAMINE","50-67-9","NCCc1c2c([nH]c1)ccc(O)c2","NCCc1c2c([nH]c1)ccc(O)c2","NCCc1c2c([nH]c1)ccc(O)c2","NCCc1c2c([nH]c1)ccc(O)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[30,2904,"SORBITOL","50-70-4","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",4,0,0,"NO","NO","Mantain","High Reliability","268, 2396","Stereochemistry removed"]
[31,4286,"ACETYLSALICYLIC ACID","50-78-2","CC(=O)Oc1c(cccc1)C(=O)O","CC(=O)Oc1c(cccc1)C(=O)O","CC(=O)Oc1c(cccc1)C(=O)O","CC(=O)Oc1c(cccc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[32,3356,"2,5-DICHLOROBENZOIC ACID","50-79-3","O=C(O)c1c(ccc(c1)Cl)Cl","O=C(O)c1c(ccc(c1)Cl)Cl","O=C(O)c1c(ccc(c1)Cl)Cl","O=C(O)c1c(ccc(c1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[33,3147,"ASCORBIC ACID","50-81-7","O=C1C(OC(=C1O)O)C(O)CO","O=C1C(OC(=C1O)O)C(O)CO","O=C1C(=C(C(O1)C(O)CO)O)O","O=C1C(=C(C(O1)C(O)CO)O)O",4,0,0,"NO","NO","Mantain","High Reliability","636","Stereochemistry removed"]
[34,3345,"2,4,5-TRICHLOROBENZOIC ACID","50-82-8","O=C(O)c1c(cc(c(c1)Cl)Cl)Cl","O=C(O)c1c(cc(c(c1)Cl)Cl)Cl","O=C(O)c1c(cc(c(c1)Cl)Cl)Cl","O=C(O)c1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[35,3355,"2,4-DICHLOROBENZOIC ACID","50-84-0","O=C(O)c1c(cc(cc1)Cl)Cl","O=C(O)c1c(cc(cc1)Cl)Cl","O=C(O)c1c(cc(cc1)Cl)Cl","O=C(O)c1c(cc(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[36,3963,"4-METHYLSALICYLIC ACID","50-85-1","Cc1cc(c(cc1)C(=O)O)O","Cc1cc(c(cc1)C(=O)O)O","Cc1cc(c(cc1)C(=O)O)O","Cc1cc(c(cc1)C(=O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[37,null,"GLUCOSE","50-99-7","O=CC(O)C(O)C(O)C(O)CO","OCC1C(C(C(C(O1)O)O)O)O","O=CC(O)C(O)C(O)C(O)CO","O=CC(O)C(O)C(O)C(O)CO",3,1,0,"NO","YES","Eliminate","-",null,"Stereochemistry removed, Missing/ambiguous"]
[38,1664,"piperonylbutoxide","51-03-6","OCCCCCc1cc2c(cc1)OCO2","CCCCOCCOCCOCc1c(cc2c(c1)OCO2)CCC","CCCCOCCOCCOCc1c(cc2c(c1)OCO2)CCC","CCCCOCCOCCOCc1c(cc2c(c1)OCO2)CCC",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[39,3451,"BENZIMIDAZOLE","51-17-2","c1cc2c(cc1)[nH]cn2","c1cc2c(cc1)[nH]cn2","c1cc2c(cc1)[nH]cn2","c1cc2c(cc1)[nH]cn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[40,2273,"5-BROMOURACIL","51-20-7","O=c1[nH]c(c(c[nH]1)Br)=O","O=c1[nH]c(c(c[nH]1)Br)=O","O=c1[nH]c(c(c[nH]1)Br)=O","O=c1[nH]c(c(c[nH]1)Br)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[41,2274,"5-FLUOROURACIL","51-21-8","O=c1[nH]c(c(c[nH]1)F)=O","O=c1[nH]c(c(c[nH]1)F)=O","O=c1[nH]c(c(c[nH]1)F)=O","O=c1[nH]c(c(c[nH]1)F)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[42,3021,"2,4-DINITROPHENOL","51-28-5","O=[N+]([O-])c1cc(c(cc1)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)O)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[43,1509,"SCOPOLAMINE","51-34-3","CN1C2CC(CC1C3C2O3)OC(=O)C(CO)c4ccccc4","CN1C2CC(CC1C3C2O3)OC(=O)C(CO)c4ccccc4","CN1C2CC(CC1C3C2O3)OC(=O)C(CO)c4ccccc4","CN1C2CC(CC1C3C2O3)OC(=O)C(CO)c4ccccc4",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[44,2699,"HYDROXYPROLINE","51-35-4","O=C(O)C1NCC(C1)O","O=C(O)C1NCC(C1)O",null,"O=C(O)C1NCC(C1)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[45,3358,"3,5-DICHLOROBENZOIC ACID","51-36-5","O=C(O)c1cc(cc(c1)Cl)Cl","O=C(O)c1cc(cc(c1)Cl)Cl","O=C(O)c1cc(cc(c1)Cl)Cl","O=C(O)c1cc(cc(c1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[46,4118,"ADRENALINE TARTRATE (1:1)","51-42-3","CNCC(O)c1cc(c(cc1)O)O","CNCC(O)c1cc(c(cc1)O)O",null,"CNCC(O)c1cc(c(cc1)O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","47","Stereochemistry removed"]
[47,4118,"EPINEPHRINE","51-43-4","CNCC(O)c1cc(c(cc1)O)O","CNCC(O)c1cc(c(cc1)O)O","CNCC(O)c1cc(c(cc1)O)O","CNCC(O)c1cc(c(cc1)O)O",4,0,0,"NO","NO","Mantain","High Reliability","46","Stereochemistry removed"]
[48,3359,"3,4-DICHLOROBENZOIC ACID","51-44-5","O=C(O)c1cc(c(cc1)Cl)Cl","O=C(O)c1cc(c(cc1)Cl)Cl","O=C(O)c1cc(c(cc1)Cl)Cl","O=C(O)c1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[49,3175,"propylthiouracil","51-52-5","CCCn1c([nH]ccc1=O)=S","CCCc1[nH]c([nH]c(c1)=O)=S","CCCc1[nH]c([nH]c(c1)=O)=S","CCCc1[nH]c([nH]c(c1)=O)=S",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[50,1514,"ATROPINE","51-55-8","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability","908","Stereochemistry removed"]
[51,4069,"P-METHOXYACETANILIDE","51-66-1","COc1ccc(cc1)NC(C)=O","COc1ccc(cc1)NC(C)=O","COc1ccc(cc1)NC(C)=O","COc1ccc(cc1)NC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[52,3686,"4-(2-AMINOETHYL)PHENOL","51-67-2","NCCc1ccc(cc1)O","NCCc1ccc(cc1)O","NCCc1ccc(cc1)O","NCCc1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[53,2517,"Mechlorethamine","51-75-2","CN(CCCl)CCCl","CN(CCCl)CCCl","CN(CCCl)CCCl","CN(CCCl)CCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[54,2170,"O-ETHYL CARBAMATE (URETHANE)","51-79-6","CCOC(N)=O","CCOC(N)=O","CCOC(N)=O",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[55,1801,"Norethindrone acetate","51-98-9","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)OC(C)=O","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)OC(C)=O","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)OC(C)=O","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)OC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[56,1846,"SPIRONOLACTONE","52-01-7","CC(=O)SC1C2C(C3(C(C1)=CC(=O)CC3)C)CCC4(C5(CCC42)OC(CC5)=O)C","CC(=O)SC1C2C(C3(C(C1)=CC(=O)CC3)C)CCC4(C5(CCC42)OC(CC5)=O)C","CC(=O)SC1C2C(C3(C(C1)=CC(=O)CC3)C)CCC4(C5(CCC42)OC(CC5)=O)C","CC(=O)SC1C2C(C3(C(C1)=CC(=O)CC3)C)CCC4(C5(CCC42)OC(CC5)=O)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[57,1832,"PREDNISOLONE ACETATE","52-21-1","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O",4,0,0,"NO","NO","Mantain","High Reliability","4","Stereochemistry removed"]
[58,2791,"THIOTEPA","52-24-4","S=P(N1CC1)(N2CC2)N3CC3","S=P(N1CC1)(N2CC2)N3CC3","S=P(N1CC1)(N2CC2)N3CC3","S=P(N1CC1)(N2CC2)N3CC3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[59,644,"CYCLOBARBITAL","52-31-3","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCC2","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCC2","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCC2","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCC2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[60,1753,"ALDOSTERONE","52-39-1","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C=O)C(C(=O)CO)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C=O)C(C(=O)CO)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C=O)C(C(=O)CO)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C=O)C(C(=O)CO)CC4",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[61,58,"ALLOBARBITAL","52-43-7","C=CCC1(C(NC(NC1=O)=O)=O)CC=C","C=CCC1(C(NC(NC1=O)=O)=O)CC=C","C=CCC1(C(NC(NC1=O)=O)=O)CC=C","C=CCC1(C(NC(NC1=O)=O)=O)CC=C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[62,2115,"1,3-Propanediol, 2-bromo-2-nitro-","52-51-7","O=[N+]([O-])C(Br)(CO)CO","O=[N+]([O-])C(Br)(CO)CO","O=[N+]([O-])C(Br)(CO)CO","O=[N+]([O-])C(Br)(CO)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[63,2763,"CYCLOLEUCINE","52-52-8","NC1(CCCC1)C(=O)O","NC1(CCCC1)C(=O)O","NC1(CCCC1)C(=O)O","NC1(CCCC1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[64,null,"pencillamine","52-67-5",null,"CC(C)(S)C(N)C(=O)O",null,"CC(C)(S)C(N)C(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[65,2391,"TRICHLORFON","52-68-6","COP(=O)(OC)C(O)C(Cl)(Cl)Cl","COP(=O)(OC)C(O)C(Cl)(Cl)Cl","COP(=O)(OC)C(O)C(Cl)(Cl)Cl",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[66,1741,"HALOPERIDOL","52-86-8","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Cl)c3ccc(cc3)F","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Cl)c3ccc(cc3)F","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Cl)c3ccc(cc3)F","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Cl)c3ccc(cc3)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[67,2174,"CYSTEINE","52-90-4","NC(CS)C(=O)O","NC(CS)C(=O)O","NC(CS)C(=O)O","NC(CS)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[68,1752,"CORTISONE","53-06-5","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)=O)(C(CC4)(O)C(=O)CO)C","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)=O)(C(CC4)(O)C(=O)CO)C","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)=O)(C(CC4)(O)C(=O)CO)C","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)=O)(C(CC4)(O)C(=O)CO)C",4,0,0,"NO","NO","Mantain","High Reliability","13","Stereochemistry removed"]
[69,1569,"ESTRONE","53-16-7","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2=O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2=O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2=O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[70,1099,"O,P'-DDD","53-19-0","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)Cl","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)Cl","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)Cl","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[71,1662,"ANDROSTERONE","53-41-8","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O",4,0,0,"NO","NO","Mantain","High Reliability","1852, 1982","Stereochemistry removed"]
[72,1661,"PRASTERONE","53-43-0","CC12C(C3C(CC1)C4(C(=CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(=CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(=CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(=CC3)CC(O)CC4)C)CCC2=O",4,0,0,"NO","NO","Mantain","High Reliability","147","Stereochemistry removed"]
[73,1767,"DIBENZ(A,H)ANTHRACENE","53-70-3","c1cc2c(cc1)c3c(cc2)cc4c5c(ccc4c3)cccc5","c1cc2c(cc1)c3c(cc2)cc4c5c(ccc4c3)cccc5","c1cc2c(cc1)c3c(cc2)cc4c5c(ccc4c3)cccc5","c1cc2c(cc1)c3c(cc2)cc4c5c(ccc4c3)cccc5",4,0,0,"NO","NO","Mantain","High Reliability",""]
[74,1620,"INDOMETHACIN","53-86-1","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)c3ccc(cc3)Cl","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)c3ccc(cc3)Cl","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)c3ccc(cc3)Cl","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)c3ccc(cc3)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[75,118,"NICOTINE","54-11-5","CN1C(CCC1)c2cnccc2","CN1C(CCC1)c2cnccc2","CN1C(CCC1)c2cnccc2","CN1C(CCC1)c2cnccc2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[76,3482,"SODIUM SALICYLATE","54-21-7","O=C(O)c1c(cccc1)O","O=C(O)c1c(cccc1)O","O=C(O)c1c(cccc1)O","O=C(O)c1c(cccc1)O",4,0,0,"NO","NO","Mantain","High Reliability","269"]
[77,556,"FUROSEMIDE","54-31-9","NS(=O)(=O)c1c(cc(c(c1)C(=O)O)NCc2occc2)Cl","NS(=O)(=O)c1c(cc(c(c1)C(=O)O)NCc2occc2)Cl","NS(=O)(=O)c1c(cc(c(c1)C(=O)O)NCc2occc2)Cl","NS(=O)(=O)c1c(cc(c(c1)C(=O)O)NCc2occc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[78,4061,"URIDINE, 2'-DEOXY-5-IODO-","54-42-2","O=c1c(cn(c([nH]1)=O)C2OC(C(C2)O)CO)I","O=c1c(cn(c([nH]1)=O)C2OC(C(C2)O)CO)I","O=c1c(cn(c([nH]1)=O)C2OC(C(C2)O)CO)I","O=c1c(cn(c([nH]1)=O)C2OC(C(C2)O)CO)I",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[79,3105,"ISONIAZID","54-85-3","NNC(=O)c1ccncc1","NNC(=O)c1ccncc1","NNC(=O)c1ccncc1","NNC(=O)c1ccncc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[80,2220,"N-NITROSODIETHYLAMINE","55-18-5","CCN(CC)N=O","CCN(CC)N=O",null,"CCN(CC)N=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[81,3524,"BENZAMIDE","55-21-0","NC(=O)c1ccccc1","NC(=O)c1ccccc1","NC(=O)c1ccccc1","NC(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[82,null,"ISONICOTINIC ACID","55-22-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Organic counterion, Missing/ambiguous"]
[83,150,"FENTHION","55-38-9","COP(=S)(OC)Oc1cc(c(cc1)SC)C","COP(=S)(OC)Oc1cc(c(cc1)SC)C","COP(=S)(OC)Oc1cc(c(cc1)SC)C","COP(=S)(OC)Oc1cc(c(cc1)SC)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[84,1807,"CHLORHEXIDINE","55-56-1","NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(cc1)Cl)N=C(N)Nc2ccc(cc2)Cl","NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(cc1)Cl)N=C(N)Nc2ccc(cc2)Cl","N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl)NC(=N)Nc2ccc(cc2)Cl","N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl)NC(=N)Nc2ccc(cc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[85,2101,"1,2,3-propanetrioltrinitrate","55-63-0","OCC(O)CO","O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]","O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]","O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[86,1327,"4-DIMETHYLAMINO-3'-METHYLAZOBENZENE","55-80-1","Cc1cc(ccc1)N=Nc2ccc(cc2)N(C)C","Cc1cc(ccc1)N=Nc2ccc(cc2)N(C)C","Cc1cc(ccc1)N=Nc2ccc(cc2)N(C)C","Cc1cc(ccc1)N=Nc2ccc(cc2)N(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[87,2862,"ISOFLUROPHATE","55-91-4","CC(C)OP(=O)(F)OC(C)C","CC(C)OP(=O)(F)OC(C)C","CC(C)OP(=O)(F)OC(C)C","CC(C)OP(=O)(F)OC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[88,2637,"METACIL","56-04-2","Cc1[nH]c([nH]c(c1)=O)=S","Cc1[nH]c([nH]c(c1)=O)=S","Cc1[nH]c([nH]c(c1)=O)=S","Cc1[nH]c([nH]c(c1)=O)=S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[89,2455,"4-AMINOBUTYRIC ACID","56-12-2","NCCCC(=O)O","NCCCC(=O)O","NCCCC(=O)O","NCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[90,4330,"CARBON TETRACHLORIDE","56-23-5","ClC(Cl)(Cl)Cl","ClC(Cl)(Cl)Cl","ClC(Cl)(Cl)Cl","ClC(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[91,82,"Cantharidin","56-25-7","CC12C(C(OC1=O)=O)(C)C3OC2CC3","CC12C(C(OC1=O)=O)(C)C3OC2CC3","CC12C(C(OC1=O)=O)(C)C3OC2CC3","CC12C(C(OC1=O)=O)(C)C3OC2CC3",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[92,null,"hexabarital","56-29-1",null,"CN1C(C(C(NC1=O)=O)(C)C=2CCCCC2)=O",null,"CN1C(=NC(C(C1=O)(C)C=2CCCCC2)=O)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[93,null,"Tributyl tin acetate","56-36-0","CCCC[Sn+](CCCC)CCCC",null,"CCCC[Sn](CCCC)(CCCC)OC(C)=O","CCCC[Sn](CCCC)(CCCC)OC(C)=O",2,1,1,"NO","YES","Eliminate","-",null,"Unusual elements, Missing/ambiguous"]
[94,129,"PARATHION","56-38-2","CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-]","CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-]","CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-]","CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[95,1986,"GLYCINE","56-40-6","NCC(=O)O","NCC(=O)O","NCC(=O)O","NCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[96,2167,"ALANINE","56-41-7","CC(N)C(=O)O","CC(N)C(=O)O","CC(N)C(=O)O","CC(N)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1710, 1743","Stereochemistry removed"]
[97,2178,"SERINE","56-45-1","NC(CO)C(=O)O","NC(CO)C(=O)O","NC(CO)C(=O)O","NC(CO)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1711, 1719, 3791","Stereochemistry removed"]
[98,1836,"DEOXYCORTICOSTERONE ACETATE","56-47-3","CC(=O)OCC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C","CC(=O)OCC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C","CC(=O)OCC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C","CC(=O)OCC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[99,1730,"3-METHYLCHOLANTHRENE","56-49-5","Cc1c2c3c(cc1)cc4c5c(ccc4c3CC2)cccc5","Cc1c2c3c(cc1)cc4c5c(ccc4c3CC2)cccc5","Cc1c2c3c(cc1)cc4c5c(ccc4c3CC2)cccc5","Cc1c2c3c(cc1)cc4c5c(ccc4c3CC2)cccc5",4,0,0,"NO","NO","Mantain","High Reliability",""]
[100,1559,"DES","56-53-1","CCC(=C(CC)c1ccc(cc1)O)c2ccc(cc2)O","CCC(=C(CC)c1ccc(cc1)O)c2ccc(cc2)O","CCC(=C(CC)c1ccc(cc1)O)c2ccc(cc2)O","CCC(=C(CC)c1ccc(cc1)O)c2ccc(cc2)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[101,1704,"QUINIDINE","56-54-2","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",4,0,0,"NO","NO","Mantain","High Reliability","1495, 2120, 3703","Stereochemistry removed"]
[102,1535,"BENZ(A)ANTHRACENE","56-55-3","c1cc2c(cc1)cc3c4c(ccc3c2)cccc4","c1cc2c(cc1)cc3c4c(ccc3c2)cccc4","c1cc2c(cc1)cc3c4c(ccc3c2)cccc4","c1cc2c(cc1)cc3c4c(ccc3c2)cccc4",4,0,0,"NO","NO","Mantain","High Reliability",""]
[103,163,"Adenosine Triphosphate","56-65-5","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[104,379,"TRYPTOPHAN, 5-HYDROXY-","56-69-9","NC(Cc1c2c([nH]c1)ccc(O)c2)C(=O)O","NC(Cc1c2c([nH]c1)ccc(O)c2)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[105,1165,"COUMAPHOS","56-72-4","CCOP(=S)(OCC)Oc1cc2c(cc1)c(C)c(Cl)c(=O)o2","CCOP(=S)(OCC)Oc1cc2c(cc1)c(C)c(Cl)c(=O)o2","CCOP(=S)(OCC)Oc1cc2c(cc1)c(C)c(Cl)c(=O)o2","CCOP(=S)(OCC)Oc1cc2c(cc1)c(C)c(Cl)c(=O)o2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[106,369,"CHLORAMPHENICOL","56-75-7","O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)Cl","O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)Cl","O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)Cl","O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[107,2193,"GLYCEROL","56-81-5","OCC(O)CO","OCC(O)CO","OCC(O)CO","OCC(O)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[108,null,"propanal,2,3-dihydroxy-,(ñ)-","56-82-6",null,"O=CC(O)CO",null,"O=CC(O)CO",2,0,2,"NO","NO","Manual Check","Verify Name"]
[109,2373,"ASPARTIC ACID","56-84-8","NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","2454","Stereochemistry removed"]
[110,2479,"GLUTAMINE","56-85-9","NC(=O)CCC(N)C(=O)O","NC(=O)CCC(N)C(=O)O",null,"NC(=O)CCC(N)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[111,2701,"GLUTAMIC ACID","56-86-0","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",null,"NC(CCC(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","1536, 1582, 2458, 3790, 3792","Stereochemistry removed"]
[112,2868,"LYSINE","56-87-1","NCCCCC(N)C(=O)O","NCCCCC(N)C(=O)O","NCCCCC(N)C(=O)O","NCCCCC(N)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[113,2788,"CYSTINE","56-89-3","NC(CSSCC(N)C(=O)O)C(=O)O","NC(CSSCC(N)C(=O)O)C(=O)O",null,"NC(CSSCC(N)C(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[114,2442,"CREATINE","57-00-1","CN(CC(=O)O)C(=N)N","CN(CC(=O)O)C(=N)N","CN(CC(=O)O)C(=N)N","CN(CC(=O)O)C(=N)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[115,2204,"Glycerophosphoric Acid","57-03-4","O=P(O)(O)OCC(O)CO","O=P(O)(O)OCC(O)CO","O=P(O)(O)OCC(O)CO","O=P(O)(O)OCC(O)CO",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[116,2316,"3-ISOTHIOCYANATO-1-PROPENE","57-06-7","C=CCN=C=S","C=CCN=C=S","C=CCN=C=S","C=CCN=C=S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[117,1456,"PALMITIC ACID","57-10-3","CCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[118,1596,"STEARIC ACID","57-11-4","CCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[119,4357,"UREA","57-13-6","NC(N)=O","NC(N)=O","NC(N)=O","NC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[120,2014,"1,1-DIMETHYLHYDRAZINE","57-14-7","CN(C)N","CN(C)N","CN(C)N","CN(C)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[121,2361,"B,B,B-TRICHLORO-T-BUTANOL","57-15-8",null,"CC(C)(O)C(Cl)(Cl)Cl","CC(C)(O)C(Cl)(Cl)Cl","CC(C)(O)C(Cl)(Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[122,1738,"STRYCHNINE","57-24-9","O=C1N2c3c(C45CCN6CC7=CCOC(C1)C(C42)C7CC65)cccc3","O=C1N2c3c(C45CCN6CC7=CCOC(C1)C(C42)C7CC65)cccc3","O=C1N2c3c(C45CCN6CC7=CCOC(C1)C(C42)C7CC65)cccc3","O=C1N2c3c(C45CCN6CC7=CCOC(C1)C(C42)C7CC65)cccc3",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[123,1492,"MORPHINE","57-27-2","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3",4,0,0,"NO","NO","Mantain","High Reliability","228","Stereochemistry removed, Differences in counterions"]
[124,1288,"PHENYTOIN","57-41-0","O=C1NC(C(N1)=O)(c2ccccc2)c3ccccc3","O=C1NC(C(N1)=O)(c2ccccc2)c3ccccc3","O=C1NC(C(N1)=O)(c2ccccc2)c3ccccc3","O=C1NC(C(N1)=O)(c2ccccc2)c3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[125,1353,"DEMEROL","57-42-1","CCOC(=O)C1(CCN(CC1)C)c2ccccc2","CCOC(=O)C1(CCN(CC1)C)c2ccccc2","CCOC(=O)C1(CCN(CC1)C)c2ccccc2","CCOC(=O)C1(CCN(CC1)C)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability","7","Differences in counterions"]
[126,464,"AMOBARBITAL","57-43-2","CCC1(C(NC(NC1=O)=O)=O)CCC(C)C","CCC1(C(NC(NC1=O)=O)=O)CCC(C)C","CCC1(C(NC(NC1=O)=O)=O)CCC(C)C","CCC1(C(NC(NC1=O)=O)=O)CCC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[127,3696,"BARBITAL","57-44-3","CCC1(C(NC(NC1=O)=O)=O)CC","CCC1(C(NC(NC1=O)=O)=O)CC","CCC1(C(NC(NC1=O)=O)=O)CC","CCC1(C(NC(NC1=O)=O)=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[128,null,"Fructose","57-48-7","O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO","OCC1C(C(C(O1)(O)CO)O)O","OCC1C(C(C(O1)(O)CO)O)O",2,2,0,"YES","NO","Eliminate","-",null,"Stereochemistry removed, Missing/ambiguous"]
[129,693,"SUCROSE","57-50-1","OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O","OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O","OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O","OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[130,4171,"MEPROBAMATE","57-53-4","CCCC(C)(COC(N)=O)COC(N)=O","CCCC(C)(COC(N)=O)COC(N)=O","CCCC(C)(COC(N)=O)COC(N)=O","CCCC(C)(COC(N)=O)COC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[131,2190,"1,2-PROPANEDIOL","57-55-6","CC(O)CO","CC(O)CO","CC(O)CO","CC(O)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[132,2079,"BETA-PROPIOLACTONE","57-57-8","O=C1OCC1","O=C1OCC1","O=C1OCC1","O=C1OCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[133,1785,"AUREOMYCIN","57-62-5","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4Cl)(C)O)C2","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4Cl)(C)O)C2","CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4Cl)(C)O)C2","CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4Cl)(C)O)C2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Differences in counterions"]
[134,1705,"ETHINYL ESTRADIOL","57-63-6","C#CC1(C2(C(CC1)C3C(c4c(CC3)cc(O)cc4)CC2)C)O","C#CC1(C2(C(CC1)C3C(c4c(CC3)cc(O)cc4)CC2)C)O","C#CC1(C2(C(CC1)C3C(c4c(CC3)cc(O)cc4)CC2)C)O","C#CC1(C2(C(CC1)C3C(c4c(CC3)cc(O)cc4)CC2)C)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[135,3176,"sulfanilylguanadine","57-67-0",null,"NC(N)=NS(=O)(=O)c1ccc(cc1)N",null,"N=C(N)NS(=O)(=O)c1ccc(cc1)N",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[136,615,"SULFAMETHAZINE","57-68-1","Cc1nc(nc(c1)C)NS(=O)(=O)c2ccc(cc2)N","Cc1nc(nc(c1)C)NS(=O)(=O)c2ccc(cc2)N","Cc1nc(nc(c1)C)NS(=O)(=O)c2ccc(cc2)N","Cc1nc(nc(c1)C)NS(=O)(=O)c2ccc(cc2)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[137,274,"CHLORDANE","57-74-9","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl",4,0,0,"NO","NO","Mantain","High Reliability","3561, 3562"]
[138,1754,"PROGESTERONE","57-83-0","CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C","CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C","CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C","CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[139,1811,"TESTOSTERONE PROPIONATE","57-85-2","CCC(=O)OC1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C","CCC(=O)OC1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C","CCC(=O)OC1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C","CCC(=O)OC1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[140,1883,"CHOLESTEROL","57-88-5","CC(C)CCCC(C)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C","CC(C)CCCC(C)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C",null,"CC(C)CCCC(C)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[141,1575,"a-Estradiol","57-91-0",null,"CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O",3,0,1,"NO","NO","Mantain","Medium Reliability","14","Stereochemistry removed"]
[142,null,"7,12-dime-benz(a)anthracene","57-97-6",null,"Cc1c2c(c(c3c1cccc3)C)c4c(cc2)cccc4",null,"Cc1c2c(c(c3c1cccc3)C)c4c(cc2)cccc4",2,0,2,"NO","NO","Manual Check","Verify Name"]
[143,1483,"6A-BETA-APORPHINE-10,11-DIOL","58-00-4","CN1C2c3c(CC1)cccc3-c4c(C2)ccc(O)c4O",null,null,"CN1C2c3c(CC1)cccc3-c4c(C2)ccc(O)c4O",2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[144,3633,"CAFFEINE","58-08-2","Cn1c(n(c2c(c1=O)n(cn2)C)C)=O","Cn1c(n(c2c(c1=O)n(cn2)C)C)=O","Cn1c(n(c2c(c1=O)n(cn2)C)C)=O","Cn1c(n(c2c(c1=O)n(cn2)C)C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[145,1035,"AMINOPYRINE","58-15-1","Cc1n(n(c(c1N(C)C)=O)-c2ccccc2)C","Cc1n(n(c(c1N(C)C)=O)-c2ccccc2)C","Cc1n(n(c(c1N(C)C)=O)-c2ccccc2)C","Cc1n(n(c(c1N(C)C)=O)-c2ccccc2)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[146,null,"17-a-methyltestosterone","58-18-4",null,"CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C(CC4)(C)O)C",null,"CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C(CC4)(C)O)C",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[147,1661,"TESTOSTERONE","58-22-0","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(O)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(O)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(O)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(O)CC4",4,0,0,"NO","NO","Mantain","High Reliability","72","Stereochemistry removed"]
[148,1404,"LIBRIUM","58-25-3","CN=C1N=c2c(=C(N(C1)O)c3ccccc3)cc(Cl)cc2","CN=C1N=c2c(=C(N(C1)O)c3ccccc3)cc(Cl)cc2","CNC=1C[N+](=C(c2c(N1)ccc(Cl)c2)c3ccccc3)[O-]","CNC=1C[N+](=C(c2c(N1)ccc(Cl)c2)c3ccccc3)[O-]",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[149,517,"2-METHYL-1,4-NAPHTHOQUINONE","58-27-5","CC=1C(c2c(C(C1)=O)cccc2)=O","CC=1C(c2c(C(C1)=O)cccc2)=O","CC=1C(c2c(C(C1)=O)cccc2)=O","CC=1C(c2c(C(C1)=O)cccc2)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[150,1702,"prochloroperazine","58-38-8",null,"CN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",null,"CN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[151,1746,"PERPHENAZINE","58-39-9","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[152,1501,"PROMAZINE","58-40-2","CN(C)CCCN1c2c(Sc3c1cccc3)cccc2","CN(C)CCCN1c2c(Sc3c1cccc3)cccc2","CN(C)CCCN1c2c(Sc3c1cccc3)cccc2","CN(C)CCCN1c2c(Sc3c1cccc3)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[153,3561,"THEOPHYLLINE","58-55-9","Cn1c(n(c2c(c1=O)[nH]cn2)C)=O","Cn1c(n(c2c(c1=O)[nH]cn2)C)=O","Cn1c(n(c2c(c1=O)[nH]cn2)C)=O","Cn1c(n(c2c(c1=O)[nH]cn2)C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[154,3688,"PYRIDOXINE HYDROCHLORIDE","58-56-0","Cc1c(c(c(cn1)CO)CO)O","Cc1c(c(c(cn1)CO)CO)O","Cc1c(c(c(cn1)CO)CO)O","Cc1c(c(c(cn1)CO)CO)O",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[155,67,"INOSINE","58-63-9","OCC1C(C(C(O1)n2c3c(nc2)c(O)ncn3)O)O","O=c1c2c([nH]cn1)n(cn2)C3C(C(C(O3)CO)O)O","OCC1C(C(C(O1)n2c3c(nc2)c(O)ncn3)O)O","OCC1C(C(C(O1)n2c3c(nc2)c(O)ncn3)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[156,1506,"DIPHENHYDRAMINE","58-73-1","CN(C)CCOC(c1ccccc1)c2ccccc2","CN(C)CCOC(c1ccccc1)c2ccccc2","CN(C)CCOC(c1ccccc1)c2ccccc2","CN(C)CCOC(c1ccccc1)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[157,1695,"PAPAVERINE","58-74-2","COc1c(cc(cc1)Cc2c3c(ccn2)cc(OC)c(OC)c3)OC","COc1c(cc(cc1)Cc2c3c(ccn2)cc(OC)c(OC)c3)OC","COc1c(cc(cc1)Cc2c3c(ccn2)cc(OC)c(OC)c3)OC","COc1c(cc(cc1)Cc2c3c(ccn2)cc(OC)c(OC)c3)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[158,null,"d-xylose","58-86-6","O=CC(O)C(O)C(O)CO","OC1C(C(C(OC1)O)O)O","OC1C(C(C(OC1)O)O)O","OC1C(C(C(OC1)O)O)O",3,1,0,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[159,3066,"GAMMA-HEXACHLOROCYCLOHEXANE","58-89-9","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability","1725, 1726, 1727","Stereochemistry removed"]
[160,2938,"2,3,4,6-TETRACHLOROPHENOL","58-90-2","Oc1c(c(c(cc1Cl)Cl)Cl)Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[161,3552,"HYDROCHLOROTHIAZIDE","58-93-5","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[162,3447,"CHLOROTHIAZIDE","58-94-6","NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)S(NC=N2)(=O)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)S(NC=N2)(=O)=O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[163,null,"GALACTOSE","59-23-4","O=CC(O)C(O)C(O)C(O)CO","OCC1C(C(C(C(O1)O)O)O)O","OCC1C(C(C(C(O1)O)O)O)O","OCC1C(C(C(C(O1)O)O)O)O",3,1,0,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[164,121,"NIKETHAMIDE","59-26-7","CCN(CC)C(=O)c1cnccc1","CCN(CC)C(=O)c1cnccc1","CCN(CC)C(=O)c1cnccc1","CCN(CC)C(=O)c1cnccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[165,4259,"2-(1H)-QUINOLINONE","59-31-4","O=c1[nH]c2c(cc1)cccc2","O=c1[nH]c2c(cc1)cccc2",null,"O=c1[nH]c2c(cc1)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[166,1127,"SULFAQUINOXALINE","59-40-5","Nc1ccc(cc1)S(=O)(=O)Nc2nc3c(nc2)cccc3","Nc1ccc(cc1)S(=O)(=O)Nc2nc3c(nc2)cccc3","Nc1ccc(cc1)S(=O)(=O)Nc2nc3c(nc2)cccc3","Nc1ccc(cc1)S(=O)(=O)Nc2nc3c(nc2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[167,658,"Thiamine","59-43-8","Cc1nc(c(cn1)C[n+]2c(c(sc2)CCO)C)N","Cc1nc(c(cn1)C[n+]2c(c(sc2)CCO)C)N","Cc1nc(c(cn1)C[n+]2c(c(sc2)CCO)C)N","Cc1nc(c(cn1)C[n+]2c(c(sc2)CCO)C)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[168,1061,"PROCAINE","59-46-1","CCN(CC)CCOC(=O)c1ccc(cc1)N","CCN(CC)CCOC(=O)c1ccc(cc1)N","CCN(CC)CCOC(=O)c1ccc(cc1)N","CCN(CC)CCOC(=O)c1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[169,null,"1,2-propanediol-3-(2-tolyloxy)","59-47-2",null,"Cc1c(cccc1)OCC(O)CO",null,"Cc1c(cccc1)OCC(O)CO",2,0,2,"NO","NO","Manual Check","Verify Name"]
[170,3508,"3-METHYL-4-CHLOROPHENOL","59-50-7","Cc1c(ccc(c1)O)Cl","Cc1c(ccc(c1)O)Cl","Cc1c(ccc(c1)O)Cl","Cc1c(ccc(c1)O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[171,2534,"DL-Methionine","59-51-8","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","219"]
[172,2194,"1-Propanol, 2,3-dimercapto-","59-52-9","OCC(S)CS","OCC(S)CS","OCC(S)CS","OCC(S)CS",4,0,0,"NO","NO","Mantain","High Reliability",""]
[173,null,"a-glucose-1-phosphate","59-56-3",null,"O=P(O)(O)OC1C(C(C(C(O1)CO)O)O)O",null,"O=P(O)(O)OC1C(C(C(C(O1)CO)O)O)O",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[174,2329,"ACETAZOLEAMIDE","59-66-5","CC(=O)Nc1sc(nn1)S(N)(=O)=O","CC(=O)Nc1sc(nn1)S(N)(=O)=O",null,"CC(=O)Nc1sc(nn1)S(N)(=O)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[175,null,"NICOTINIC ACID","59-67-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Organic counterion, Missing/ambiguous"]
[176,2396,"N-NITROSOMORPHOLINE","59-89-2","O=NN1CCOCC1","O=NN1CCOCC1","O=NN1CCOCC1","O=NN1CCOCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[177,4074,"DOPA","59-92-7","NC(Cc1cc(c(cc1)O)O)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","3663","Stereochemistry removed"]
[178,160,"ethylenediaminetetraaceticacid","60-00-4","NCCN","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O",3,1,0,"NO","NO","Mantain","High Reliability","224","Name verified in PubChem"]
[179,null,"TRIBUTYRIN","60-01-5","CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC","CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC","CCCC(=O)OC(OC(=O)CCC)OC(=O)CCC","CCCC(=O)OC(OC(=O)CCC)OC(=O)CCC",2,2,0,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[180,560,"P-PHENYLAZOANILINE","60-09-3","Nc1ccc(cc1)N=Nc2ccccc2","Nc1ccc(cc1)N=Nc2ccccc2","Nc1ccc(cc1)N=Nc2ccccc2","Nc1ccc(cc1)N=Nc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[181,1157,"4-(N,N-DIMETHYLAMINO)AZOBENZENE","60-11-7","CN(C)c1ccc(cc1)N=Nc2ccccc2","CN(C)c1ccc(cc1)N=Nc2ccccc2","CN(C)c1ccc(cc1)N=Nc2ccccc2","CN(C)c1ccc(cc1)N=Nc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[182,3650,"2-PHENYLETHANOL","60-12-8","OCCc1ccccc1","OCCc1ccccc1","OCCc1ccccc1","OCCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[183,4072,"TYROSINE","60-18-4","NC(Cc1ccc(cc1)O)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",null,"NC(Cc1ccc(cc1)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","2153, 2154","Stereochemistry removed"]
[184,2003,"Ethanol, 2-mercapto-","60-24-2","OCCS","OCCS","OCCS","OCCS",4,0,0,"NO","NO","Mantain","High Reliability",""]
[185,2367,"CREATININE","60-27-5","CN1C(=NC(C1)=O)N","CN1C(=NC(C1)=O)N","CN1C(NC(C1)=O)=N","CN1C(NC(C1)=O)=N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[186,2227,"DIETHYL ETHER","60-29-7","CCOCC","CCOCC","CCOCC","CCOCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[187,2853,"6-AMINOHEXANOIC ACID","60-32-2","NCCCCCC(=O)O","NCCCCCC(=O)O","NCCCCCC(=O)O","NCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[188,4371,"METHYL HYDRAZINE","60-34-4","CNN","CNN","CNN","CNN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[189,1982,"ACETAMIDE","60-35-5","CC(N)=O","CC(N)=O","CC(N)=O","CC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[190,2550,"DIMETHOATE","60-51-5","CNC(=O)CSP(=S)(OC)OC","CNC(=O)CSP(=S)(OC)OC","CNC(=O)CSP(=S)(OC)OC","CNC(=O)CSP(=S)(OC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[191,1789,"TETRACYCLINE","60-54-8","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4)(C)O)C2","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4)(C)O)C2","CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4)(C)O)C2","CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4)(C)O)C2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[192,924,"DIELDRIN","60-57-1","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl",4,0,0,"NO","NO","Mantain","High Reliability","293","Stereochemistry removed"]
[193,376,"ANTIPYRINE","60-80-0","Cc1n(n(c(c1)=O)-c2ccccc2)C","Cc1n(n(c(c1)=O)-c2ccccc2)C","Cc1n(n(c(c1)=O)-c2ccccc2)C","Cc1n(n(c(c1)=O)-c2ccccc2)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[194,1304,"PHLORETIN","60-82-2","O=C(CCc1ccc(cc1)O)c2c(cc(cc2O)O)O","O=C(CCc1ccc(cc1)O)c2c(cc(cc2O)O)O","O=C(CCc1ccc(cc1)O)c2c(cc(cc2O)O)O","O=C(CCc1ccc(cc1)O)c2c(cc(cc2O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[195,1500,"PROMETHAZINE","60-87-7","CC(CN1c2c(Sc3c1cccc3)cccc2)N(C)C","CC(CN1c2c(Sc3c1cccc3)cccc2)N(C)C","CC(CN1c2c(Sc3c1cccc3)cccc2)N(C)C","CC(CN1c2c(Sc3c1cccc3)cccc2)N(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[196,1640,"Mepazine","60-89-9","CN1CC(CCC1)CN2c3c(Sc4c2cccc4)cccc3","CN1CC(CCC1)CN2c3c(Sc4c2cccc4)cccc3",null,"CN1CC(CCC1)CN2c3c(Sc4c2cccc4)cccc3",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[197,1650,"METHOTRIMEPRAZINE","60-99-1","COc1cc2c(cc1)Sc3c(N2CC(C)CN(C)C)cccc3","COc1cc2c(cc1)Sc3c(N2CC(C)CN(C)C)cccc3","COc1cc2c(cc1)Sc3c(N2CC(C)CN(C)C)cccc3","COc1cc2c(cc1)Sc3c(N2CC(C)CN(C)C)cccc3",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[198,127,"5'-Adenylic acid","61-19-8","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[199,3084,"NIRIDAZOLE","61-57-4","O=C1N(CCN1)c2sc(cn2)[N+](=O)[O-]","O=C1N(CCN1)c2sc(cn2)[N+](=O)[O-]","O=C1N(CCN1)c2sc(cn2)[N+](=O)[O-]","O=C1N(CCN1)c2sc(cn2)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[200,1313,"MEFENAMIC ACID","61-68-7","Cc1c(c(ccc1)Nc2c(cccc2)C(=O)O)C","Cc1c(c(ccc1)Nc2c(cccc2)C(=O)O)C","Cc1c(c(ccc1)Nc2c(cccc2)C(=O)O)C","Cc1c(c(ccc1)Nc2c(cccc2)C(=O)O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[201,1424,"METHYLENE BLUE","61-73-4","CN(C)c1cc2c(cc1)nc3c(cc(cc3)N(C)C)[s+]2","CN(C)c1cc2c(cc1)nc3c(cc(cc3)N(C)C)[s+]2","CN(C)c1cc2c(cc1)nc3c(cc(cc3)N(C)C)[s+]2","CN(C)c1cc2c(cc1)nc3c(cc(cc3)N(C)C)[s+]2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[202,1962,"AMITROLE","61-82-5","Nc1[nH]ncn1","Nc1[nH]ncn1","Nc1n[nH]cn1",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[203,2850,"LEUCINE","61-90-5","CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1736","Stereochemistry removed"]
[204,3425,"P-NITROBENZOIC ACID","62-23-7","O=C(O)c1ccc(cc1)[N+](=O)[O-]","O=C(O)c1ccc(cc1)[N+](=O)[O-]","O=C(O)c1ccc(cc1)[N+](=O)[O-]","O=C(O)c1ccc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[205,null,"CHLORMERODRIN","62-37-3","COC(C[Hg+])CNC(N)=O","COC(C[Hg+])CNC(N)=O",null,null,2,0,2,"NO","NO","Eliminate","-",null,"Unusual elements"]
[206,null,"PHENYLMERCURIC ACETATE","62-38-4","CC(=O)O[Hg]c1ccccc1","CC(=O)O[Hg]c1ccccc1","CC(=O)O[Hg]c1ccccc1","CC(=O)O[Hg]c1ccccc1",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[207,98,"P-PHENACETIN","62-44-2",null,"CCOc1ccc(cc1)NC(C)=O","CCOc1ccc(cc1)NC(C)=O","CCOc1ccc(cc1)NC(C)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[208,3104,"ANILINE","62-53-3","Nc1ccccc1","Nc1ccccc1","Nc1ccccc1","Nc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[209,1988,"THIOACETAMIDE","62-55-5","CC(N)=S","CC(N)=S","CC(N)=S","CC(N)=S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[210,4359,"THIOUREA","62-56-6","NC(N)=S","NC(N)=S","NC(N)=S","NC(N)=S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[211,2452,"Alanine, 2-methyl-","62-57-7","CC(C)(N)C(=O)O","CC(C)(N)C(=O)O","CC(C)(N)C(=O)O","CC(C)(N)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[212,2036,"CEVADINE","62-59-9","CC=C(C)C(=O)OC1C2(C3C(CC1)(C4(C(CC3)C5(C(C6C(C(C5)O)(C(C7N(C6)CC(C)CC7)(C)O)O)(O)C4)O)O2)C)O","CC=C(C)C(=O)OC1C2(C3C(CC1)(C4(C(CC3)C5(C(C6C(C(C5)O)(C(C7N(C6)CC(C)CC7)(C)O)O)(O)C4)O)O2)C)O","CC=C(C)C(=O)OC1C2(C3C(CC1)(C4(C(CC3)C5(C(C6C(C(C5)O)(C(C7N(C6)CC(C)CC7)(C)O)O)(O)C4)O)O2)C)O","CC=C(C)C(=O)OC1C2(C3C(CC1)(C4(C(CC3)C5(C(C6C(C(C5)O)(C(C7N(C6)CC(C)CC7)(C)O)O)(O)C4)O)O2)C)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[213,2360,"DICHLORVOS","62-73-7","COP(=O)(OC)OC=C(Cl)Cl","COP(=O)(OC)OC=C(Cl)Cl","COP(=O)(OC)OC=C(Cl)Cl",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[214,1941,"FLUOROACETIC ACID, SODIUM SALT","62-74-8","O=C(O)CF","O=C(O)CF","O=C(O)CF","O=C(O)CF",4,0,0,"NO","NO","Mantain","High Reliability","1601"]
[215,1992,"N-NITROSODIMETHYLAMINE","62-75-9","CN(C)N=O","CN(C)N=O","CN(C)N=O","CN(C)N=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[216,1658,"ANDROSTENEDIONE","63-05-8","CC12C(C3C(CC1)C4(C(CC3)=CC(=O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(CC3)=CC(=O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(CC3)=CC(=O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(CC3)=CC(=O)CC4)C)CCC2=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[217,564,"1-NAPHTHYL-N-METHYLCARBAMATE","63-25-2","CNC(=O)Oc1c2c(ccc1)cccc2","CNC(=O)Oc1c2c(ccc1)cccc2","CNC(=O)Oc1c2c(ccc1)cccc2",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[218,691,"LACTOSE","63-42-3","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","270","Stereochemistry removed"]
[219,2534,"METHIONINE","63-68-3","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","171","Stereochemistry removed"]
[220,3133,"SULFANILAMIDE","63-74-1","Nc1ccc(cc1)S(N)(=O)=O","Nc1ccc(cc1)S(N)(=O)=O","Nc1ccc(cc1)S(N)(=O)=O","Nc1ccc(cc1)S(N)(=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[221,3708,"ARECOLINE","63-75-2","COC(=O)C=1CN(CCC1)C","COC(=O)C=1CN(CCC1)C","COC(=O)C=1CN(CCC1)C","COC(=O)C=1CN(CCC1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[222,4070,"PHENYLALANINE","63-91-2","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1625, 2624","Stereochemistry removed"]
[223,null,"n-methylo-(3-isopropylphenyl)carbamate","64-00-6",null,"CNC(=O)Oc1cc(ccc1)C(C)C",null,"CNC(=O)Oc1cc(ccc1)C(C)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[224,160,"EDTA, SODIUM SALT","64-02-8",null,"O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","178"]
[225,1997,"ETHANOL","64-17-5","CCO","CCO","CCO",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[226,4343,"FORMIC ACID","64-18-6","O=CO","O=CO","O=CO","O=CO",4,0,0,"NO","NO","Mantain","High Reliability","1566, 2288"]
[227,1965,"ACETIC ACID","64-19-7","CC(=O)O","CC(=O)O","CC(=O)O","CC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[228,1492,"MORPHINE SULFATE","64-31-3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3",4,0,0,"NO","NO","Mantain","High Reliability","123","Stereochemistry removed, Organic counterion, Differences in counterions"]
[229,218,"MEBUTAMATE","64-55-1","CCC(C)C(C)(COC(N)=O)COC(N)=O","CCC(C)C(C)(COC(N)=O)COC(N)=O","CCC(C)C(C)(COC(N)=O)COC(N)=O","CCC(C)C(C)(COC(N)=O)COC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[230,2244,"DIETHYL SULFATE","64-67-5","CCOS(=O)(=O)OCC","CCOS(=O)(=O)OCC","CCOS(=O)(=O)OCC","CCOS(=O)(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[231,673,"TOLBUTAMIDE","64-77-7","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[232,1756,"DEOXYCORTICOSTERONE","64-85-7","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(C(=O)CO)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(C(=O)CO)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(C(=O)CO)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(C(=O)CO)CC4",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[233,1791,"COLCHICINE","64-86-8","COc1c(c(c-2c(c1)CCC(c3c2ccc(OC)c(=O)c3)NC(C)=O)OC)OC","COc1c(c(c-2c(c1)CCC(c3c2ccc(OC)c(=O)c3)NC(C)=O)OC)OC","COc1c(c(c-2c(c1)CCC(c3c2ccc(OC)c(=O)c3)NC(C)=O)OC)OC","COc1c(c(c-2c(c1)CCC(c3c2ccc(OC)c(=O)c3)NC(C)=O)OC)OC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[234,4000,"PYRIDOXAL HYDROCHLORIDE","65-22-5","Cc1c(c(c(cn1)CO)C=O)O","Cc1c(c(c(cn1)CO)C=O)O","Cc1c(c(c(cn1)CO)C=O)O","Cc1c(c(c(cn1)CO)C=O)O",4,0,0,"NO","NO","Mantain","High Reliability","245","Differences in counterions"]
[235,3532,"O-HYDROXYBENZAMIDE","65-45-2","NC(=O)c1c(cccc1)O","NC(=O)c1c(cccc1)O","NC(=O)c1c(cccc1)O","NC(=O)c1c(cccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[236,3542,"P-AMINOSALICYLIC ACID","65-49-6","Nc1cc(c(cc1)C(=O)O)O","Nc1cc(c(cc1)C(=O)O)O","Nc1cc(c(cc1)C(=O)O)O","Nc1cc(c(cc1)C(=O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[237,2633,"5-METHYLURACIL","65-71-4","Cc1c([nH]c([nH]c1)=O)=O","Cc1c([nH]c([nH]c1)=O)=O","Cc1c([nH]c([nH]c1)=O)=O","Cc1c([nH]c([nH]c1)=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[238,3236,"L-Methionine, N-acetyl-","65-82-7","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","2826, 2918","Stereochemistry removed"]
[239,3477,"BENZOIC ACID","65-85-0","O=C(O)c1ccccc1","O=C(O)c1ccccc1","O=C(O)c1ccccc1","O=C(O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability","2021, 2818"]
[240,2594,"OROTIC ACID","65-86-1","O=C(O)c1[nH]c([nH]c(c1)=O)=O","O=C(O)c1[nH]c([nH]c(c1)=O)=O","O=C(O)c1nc(nc(c1)O)O","O=C(O)c1nc(nc(c1)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[241,4304,"3,5-DIIODOTYROSINE","66-02-4","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1703","Stereochemistry removed"]
[242,2290,"URACIL","66-22-8","O=c1[nH]c([nH]cc1)=O","O=c1[nH]c([nH]cc1)=O","O=c1[nH]c([nH]cc1)=O","O=c1[nH]c([nH]cc1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[243,2796,"HEXANAL","66-25-1","CCCCCC=O","CCCCCC=O","CCCCCC=O","CCCCCC=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[244,926,"O-PHENANTHROLINE","66-71-7","c1cc2c(nc1)c3c(cc2)cccn3","c1cc2c(nc1)c3c(cc2)cccn3","c1cc2c(nc1)c3c(cc2)cccn3","c1cc2c(nc1)c3c(cc2)cccn3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[245,4000,"PYRIDOXAL","66-72-8","Cc1c(c(c(cn1)CO)C=O)O","Cc1c(c(c(cn1)CO)C=O)O","Cc1c(c(c(cn1)CO)C=O)O","Cc1c(c(c(cn1)CO)C=O)O",4,0,0,"NO","NO","Mantain","High Reliability","234"]
[246,1368,"CYCLOHEXIMIDE","66-81-9","CC1CC(C(C(C1)C)=O)C(O)CC2CC(NC(C2)=O)=O","CC1CC(C(C(C1)C)=O)C(O)CC2CC(NC(C2)=O)=O","CC1CC(C(C(C1)C)=O)C(O)CC2CC(NC(C2)=O)=O","CC1CC(C(C(C1)C)=O)C(O)CC2CC(NC(C2)=O)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[247,1847,"Thiamine Disulfide","67-16-3","CC(=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1c(nc(nc1)C)N)N(C=O)Cc2c(nc(nc2)C)N","CC(=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1c(nc(nc1)C)N)N(C=O)Cc2c(nc(nc2)C)N","CC(=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1c(nc(nc1)C)N)N(C=O)Cc2c(nc(nc2)C)N","CC(=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1c(nc(nc1)C)N)N(C=O)Cc2c(nc(nc2)C)N",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[248,3890,"NITROFURANTOIN","67-20-9","O=C1NC(N(C1)N=Cc2oc(cc2)[N+](=O)[O-])=O","O=C1NC(N(C1)N=Cc2oc(cc2)[N+](=O)[O-])=O","O=C1NC(N(C1)N=Cc2oc(cc2)[N+](=O)[O-])=O","O=C1NC(N(C1)N=Cc2oc(cc2)[N+](=O)[O-])=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[249,3520,"Nihydrazone","67-28-7","CC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]","CC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]","CC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]","CC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[250,4361,"METHANOL","67-56-1","CO","CO","CO","CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[251,2188,"ISOPROPANOL","67-63-0","CC(C)O","CC(C)O","CC(C)O","CC(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[252,2138,"ACETONE","67-64-1","CC(C)=O","CC(C)=O","CC(C)=O","CC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[253,4376,"CHLOROFORM","67-66-3","ClC(Cl)Cl","ClC(Cl)Cl","ClC(Cl)Cl","ClC(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[254,2002,"DIMETHYL SULFOXIDE","67-68-5","CS(C)=O","CS(C)=O","CS(C)=O","CS(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[255,1896,"HEXACHLOROETHANE","67-72-1","ClC(Cl)(Cl)C(Cl)(Cl)Cl","ClC(Cl)(Cl)C(Cl)(Cl)Cl","ClC(Cl)(Cl)C(Cl)(Cl)Cl","ClC(Cl)(Cl)C(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[256,1864,"TRIAMCINOLONE DIACETATE","67-78-7","CC(=O)OCC(=O)C1(C2(C(CC1OC(C)=O)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1OC(C)=O)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1OC(C)=O)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1OC(C)=O)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[257,1016,"GLIOTOXIN","67-99-2","CN1C2(C(N3C(C1=O)(SS2)CC=4C3C(C=CC4)O)=O)CO","CN1C2(C(N3C(C1=O)(SS2)CC=4C3C(C=CC4)O)=O)CO","CN1C2(C(N3C(C1=O)(SS2)CC=4C3C(C=CC4)O)=O)CO","CN1C2(C(N3C(C1=O)(SS2)CC=4C3C(C=CC4)O)=O)CO",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[258,1967,"MERCAPTOACETIC ACID","68-11-1","O=C(O)CS","O=C(O)CS","O=C(O)CS","O=C(O)CS",4,0,0,"NO","NO","Mantain","High Reliability",""]
[259,2166,"N,N'-DIMETHYLFORMAMIDE","68-12-2",null,"CN(C)C=O","CN(C)C=O","CN(C)C=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[260,null,"Vitamin B 12","68-19-9",{"$nulls":3},"CC1=C2N=C(C=C3N=C(C(C)=C4C(CCC(N)=O)C(C)(CC(N)=O)C(C)(C5N=C1C(C)(CCC(=O)NCC(C)OP(=O)([O-])OC1C(CO)OC(n6cnc7cc(C)c(C)cc76)C1O)C5CC(N)=O)N4[Co+]C#N)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C2CCC(N)=O",1,0,3,"NO","NO","Eliminate","-",null,"Stereochemistry removed, Unusual elements"]
[261,1709,"Norethindrone","68-22-4","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)O","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)O","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)O","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[262,12,"SULFADIAZINE","68-35-9","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[263,2599,"HYPOXANTHINE","68-94-0","O=c1c2c(nc[nH]1)nc[nH]2","O=c1c2c([nH]cn1)nc[nH]2","O=c1c2c(nc[nH]1)nc[nH]2","O=c1c2c(nc[nH]1)nc[nH]2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[264,1755,"17-ALPHA-HYDROXYPROGESTERONE","68-96-2","CC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O","CC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O","CC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O","CC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[265,1792,"FLUPHENAZINE","69-23-8","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[266,415,"TUBERCIDIN","69-33-0","Nc1c2c(ncn1)n(cc2)C3C(C(C(O3)CO)O)O","Nc1c2c(ncn1)n(cc2)C3C(C(C(O3)CO)O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[267,1429,"AMPICILLIN","69-53-4","CC1(C(N2C(S1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O)C","CC1(C(N2C(S1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O)C","CC1(C(N2C(S1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O)C","CC1(C(N2C(S1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[268,2904,"MANNITOL","69-65-8","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",4,0,0,"NO","NO","Mantain","High Reliability","30, 2396","Stereochemistry removed"]
[269,3482,"SALICYLIC ACID","69-72-7","O=C(O)c1c(cccc1)O","O=C(O)c1c(cccc1)O","O=C(O)c1c(cccc1)O","O=C(O)c1c(cccc1)O",4,0,0,"NO","NO","Mantain","High Reliability","76"]
[270,691,"MALTOSE","69-79-4","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","218","Stereochemistry removed"]
[271,2602,"XANTHINE","69-89-6","O=c1[nH]c2c(c([nH]1)=O)[nH]cn2","O=c1[nH]c2c(c([nH]1)=O)[nH]cn2","O=c1[nH]c2c(c([nH]1)=O)[nH]cn2","O=c1[nH]c2c(c([nH]1)=O)[nH]cn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[272,2603,"URIC ACID","69-93-2","O=c1[nH]c2c(c([nH]1)=O)[nH]c(=O)[nH]2","O=c1[nH]c2c(c([nH]1)=O)[nH]c(=O)[nH]2","O=c1[nH]c2c(c([nH]1)=O)[nH]c(=O)[nH]2","O=c1[nH]c2c(c([nH]1)=O)[nH]c(=O)[nH]2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[273,1083,"HEXACHLOROPHENE","70-30-4","Oc1c(c(c(cc1Cl)Cl)Cl)Cc2c(c(cc(c2O)Cl)Cl)Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cc2c(c(cc(c2O)Cl)Cl)Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cc2c(c(cc(c2O)Cl)Cl)Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cc2c(c(cc(c2O)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[274,2967,"1-FLUORO-2,4-DINITROBENZENE","70-34-8","O=[N+]([O-])c1cc(c(cc1)F)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)F)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)F)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)F)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[275,2399,"ASPARAGINE","70-47-3","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","3809","Stereochemistry removed"]
[276,2348,"Butanedioic acid, mercapto-","70-49-5","O=C(O)CC(S)C(=O)O","O=C(O)CC(S)C(=O)O","O=C(O)CC(S)C(=O)O","O=C(O)CC(S)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[277,1866,"Deferoxamine","70-51-9","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[278,3608,"4-METHYLBENZENESULFONAMIDE","70-55-3","Cc1ccc(cc1)S(N)(=O)=O","Cc1ccc(cc1)S(N)(=O)=O","Cc1ccc(cc1)S(N)(=O)=O","Cc1ccc(cc1)S(N)(=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[279,4062,"1-Propanone, 1-(4-aminophenyl)-","70-69-9","CCC(=O)c1ccc(cc1)N","CCC(=O)c1ccc(cc1)N","CCC(=O)c1ccc(cc1)N","CCC(=O)c1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[280,4032,"P-HYDROXYPROPIOPHENONE","70-70-2","CCC(=O)c1ccc(cc1)O","CCC(=O)c1ccc(cc1)O","CCC(=O)c1ccc(cc1)O","CCC(=O)c1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[281,3156,"HISTIDINE","71-00-1","NC(Cc1nc[nH]c1)C(=O)O","NC(Cc1[nH]cnc1)C(=O)O","NC(Cc1[nH]cnc1)C(=O)O","NC(Cc1[nH]cnc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[282,2187,"1-PROPANOL","71-23-8","CCCO","CCCO","CCCO","CCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[283,2309,"CYTOSINE","71-30-7","Nc1nc([nH]cc1)=O","Nc1[nH]c(ncc1)=O","Nc1nc([nH]cc1)=O","Nc1nc([nH]cc1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[284,2224,"1-BUTANOL","71-36-3","CCCCO","CCCCO","CCCCO","CCCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[285,2553,"1-PENTANOL","71-41-0","CCCCCO","CCCCCO","CCCCCO","CCCCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[286,3065,"BENZENE","71-43-2","c1ccccc1","c1ccccc1","c1ccccc1","c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[287,1934,"1,1,1-TRICHLOROETHANE","71-55-6","CC(Cl)(Cl)Cl","CC(Cl)(Cl)Cl","CC(Cl)(Cl)Cl","CC(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[288,2211,"DIGITOXIN","71-63-6","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(CC6)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(CC6)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(CC6)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(CC6)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[289,4309,"SULFATHIAZOLE","72-14-0","Nc1ccc(cc1)S(=O)(=O)Nc2sccn2","Nc1ccc(cc1)S(=O)(=O)Nc2sccn2","Nc1ccc(cc1)S(=O)(=O)Nc2sccn2","Nc1ccc(cc1)S(=O)(=O)Nc2sccn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[290,2148,"Sodium Lactate","72-17-3","CC(O)C(=O)O","CC(O)C(=O)O","CC(O)C(=O)O","CC(O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","10, 2354"]
[291,2527,"VALINE","72-18-4","CC(C)C(N)C(=O)O","CC(C)C(N)C(=O)O",null,"CC(C)C(N)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","1973","Stereochemistry removed"]
[292,2457,"threonine(l)","72-19-5",null,"CC(O)C(N)C(=O)O",null,"CC(O)C(N)C(=O)O",2,0,2,"NO","NO","Mantain","Medium Reliability","499, 1606","Stereochemistry removed, Name verified in PubChem"]
[293,924,"ENDRIN","72-20-8","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl",null,3,0,1,"NO","NO","Mantain","Medium Reliability","192","Stereochemistry removed"]
[294,1412,"METHOXYCHLOR","72-43-5","COc1ccc(cc1)C(c2ccc(cc2)OC)C(Cl)(Cl)Cl","COc1ccc(cc1)C(c2ccc(cc2)OC)C(Cl)(Cl)Cl","COc1ccc(cc1)C(c2ccc(cc2)OC)C(Cl)(Cl)Cl",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[295,1248,"ALIZARINE","72-48-0","O=C1c2c(C(c3c1cccc3)=O)c(c(cc2)O)O","O=C1c2c(C(c3c1cccc3)=O)c(c(cc2)O)O","O=C1c2c(C(c3c1cccc3)=O)c(c(cc2)O)O","O=C1c2c(C(c3c1cccc3)=O)c(c(cc2)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[296,1100,"P,P'-DDD","72-54-8","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)Cl","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)Cl","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)Cl","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[297,1241,"P,P'-DDE","72-55-9","ClC(Cl)=C(c1ccc(cc1)Cl)c2ccc(cc2)Cl","ClC(Cl)=C(c1ccc(cc1)Cl)c2ccc(cc2)Cl","ClC(Cl)=C(c1ccc(cc1)Cl)c2ccc(cc2)Cl","ClC(Cl)=C(c1ccc(cc1)Cl)c2ccc(cc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[298,null,"1,1-dichloro-2,2-bis(ethylphenyl)ethane","72-56-0","CCc1c(cccc1)C(c2c(cccc2)CC)C(Cl)Cl","CCc1ccc(cc1)C(c2ccc(cc2)CC)C(Cl)Cl",null,"CCc1ccc(cc1)C(c2ccc(cc2)CC)C(Cl)Cl",2,1,1,"NO","NO","Manual Check","Verify Name"]
[299,378,"TRYPTOPHAN","73-22-3","NC(Cc1c2c([nH]c1)cccc2)C(=O)O","NC(Cc1c2c([nH]c1)cccc2)C(=O)O","NC(Cc1c2c([nH]c1)cccc2)C(=O)O","NC(Cc1c2c([nH]c1)cccc2)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[300,2617,"ADENINE","73-24-5","Nc1c2c(ncn1)nc[nH]2","Nc1c2c(ncn1)nc[nH]2","Nc1c2c(ncn1)[nH]cn2","Nc1c2c(ncn1)[nH]cn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[301,2848,"ISO-LEUCINE","73-32-5","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1724, 1789, 3806, 3328","Stereochemistry removed"]
[302,2619,"GUANINE","73-40-5","Nc1[nH]c(c2c(n1)nc[nH]2)=O","Nc1[nH]c2c(c(n1)=O)[nH]cn2","Nc1[nH]c(c2c(n1)[nH]cn2)=O","Nc1[nH]c(c2c(n1)[nH]cn2)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[303,1300,"BENDROFLUMETHIAZIDE","73-48-3","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)Cc3ccccc3)(=O)=O)C(F)(F)F","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)Cc3ccccc3)(=O)=O)C(F)(F)F","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)Cc3ccccc3)(=O)=O)C(F)(F)F","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)Cc3ccccc3)(=O)=O)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[304,53,"Quinethazone","73-49-4","CCC1Nc2c(C(N1)=O)cc(S(N)(=O)=O)c(Cl)c2","CCC1Nc2c(C(N1)=O)cc(S(N)(=O)=O)c(Cl)c2","CCC1Nc2c(C(N1)=O)cc(S(N)(=O)=O)c(Cl)c2","CCC1Nc2c(C(N1)=O)cc(S(N)(=O)=O)c(Cl)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[305,3396,"4-CHLOROBENZOIC ACID","74-11-3","O=C(O)c1ccc(cc1)Cl","O=C(O)c1ccc(cc1)Cl","O=C(O)c1ccc(cc1)Cl","O=C(O)c1ccc(cc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[306,2870,"ARGININE","74-79-3","N=C(N)NCCCC(N)C(=O)O","NC(N)=NCCCC(N)C(=O)O","N=C(N)NCCCC(N)C(=O)O","N=C(N)NCCCC(N)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[307,4355,"METHANE","74-82-8","C","C","C","C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[308,4344,"METHYL BROMIDE","74-83-9","CBr","CBr","CBr",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[309,1990,"ETHANE","74-84-0","CC","CC","CC","CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[310,1945,"ETHYLENE","74-85-1","C=C","C=C","C=C","C=C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[311,1900,"ACETYLENE","74-86-2","C#C","C#C","C#C","C#C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[312,4345,"METHYL CHLORIDE","74-87-3","CCl","CCl","CCl","CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[313,4351,"METHYL IODIDE","74-88-4","CI","CI","CI","CI",4,0,0,"NO","NO","Mantain","High Reliability",""]
[314,4365,"METHYLAMINE","74-89-5","CN","CN","CN","CN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[315,4380,"HYDROCYANIC ACID","74-90-8","C#N","C#N","C#N","C#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[316,4364,"METHANETHIOL","74-93-1","CS","CS","CS","CS",4,0,0,"NO","NO","Mantain","High Reliability",""]
[317,4335,"DIBROMOMETHANE","74-95-3","BrCBr","BrCBr","BrCBr","BrCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[318,1970,"BROMOETHANE","74-96-4","CCBr","CCBr","CCBr","CCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[319,4336,"CHLOROBROMOMETHANE","74-97-5","ClCBr","ClCBr","ClCBr","ClCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[320,2180,"PROPANE","74-98-6","CCC","CCC","CCC","CCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[321,2060,"PROPYNE","74-99-7","C#CC","C#CC","C#CC","C#CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[322,1972,"CHLOROETHANE","75-00-3","CCCl","CCCl","CCCl","CCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[323,1930,"VINYLCHLORIDE","75-01-4","C=CCl","C=CCl","C=CCl","C=CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[324,1976,"IODOETHANE","75-03-6","CCI","CCI","CCI","CCI",4,0,0,"NO","NO","Mantain","High Reliability",""]
[325,2007,"ETHYLAMINE","75-04-7","CCN","CCN","CCN","CCN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[326,1942,"ACETONITRILE","75-05-8","CC#N","CC#N","CC#N","CC#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[327,1963,"ACETALDEHYDE","75-07-0","CC=O","CC=O","CC=O","CC=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[328,2004,"ETHYL MERCAPTAN","75-08-1","CCS","CCS","CCS","CCS",4,0,0,"NO","NO","Mantain","High Reliability",""]
[329,4337,"DICHLOROMETHANE","75-09-2","ClCCl","ClCCl","ClCCl","ClCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[330,4340,"METHYLENE IODIDE","75-11-6","ICI","ICI","ICI","ICI",4,0,0,"NO","NO","Mantain","High Reliability",""]
[331,4353,"FORMAMIDE","75-12-7","NC=O","NC=O","NC=O","NC=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[332,4386,"CARBON DISULFIDE","75-15-0","S=C=S","S=C=S","S=C=S","S=C=S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[333,null,"formamideoxime","75-17-2","NC=NO","C=NO",null,"C=NO",2,1,1,"NO","NO","Manual Check","Verify Name"]
[334,2005,"DIMETHYLSULFIDE","75-18-3","CSC","CSC","CSC","CSC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[335,2108,"CYCLOPROPANE","75-19-4","C1CC1","C1CC1","C1CC1","C1CC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[336,1964,"ETHYLENE OXIDE","75-21-8","C1OC1","C1OC1","C1OC1","C1OC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[337,4373,"BROMOFORM","75-25-2","BrC(Br)Br","BrC(Br)Br","BrC(Br)Br","BrC(Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[338,2153,"2-BROMOPROPANE","75-26-3","CC(C)Br","CC(C)Br","CC(C)Br","CC(C)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[339,4374,"BROMODICHLOROMETHANE","75-27-4","ClC(Cl)Br","ClC(Cl)Br","ClC(Cl)Br","ClC(Cl)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[340,2217,"2-METHYLPROPANE","75-28-5","CC(C)C","CC(C)C","CC(C)C","CC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[341,2156,"2-CHLOROPROPANE","75-29-6","CC(C)Cl","CC(C)Cl","CC(C)Cl","CC(C)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[342,2160,"2-IODOPROPANE","75-30-9","CC(C)I","CC(C)I","CC(C)I","CC(C)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[343,2197,"ISOPROPYLAMINE","75-31-0","CC(C)N","CC(C)N","CC(C)N","CC(C)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[344,1950,"1,1-DICHLOROETHANE","75-34-3","CC(Cl)Cl","CC(Cl)Cl","CC(Cl)Cl","CC(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[345,1906,"1,1-DICHLOROETHENE","75-35-4","C=C(Cl)Cl","C=C(Cl)Cl","C=C(Cl)Cl","C=C(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[346,1957,"1,1-DIFLUOROETHANE","75-37-6","CC(F)F","CC(F)F","CC(F)F","CC(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[347,1916,"1,1-DIFLUOROETHENE","75-38-7","C=C(F)F","C=C(F)F","C=C(F)F","C=C(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[348,4375,"DICHLOROFLUOROMETHANE","75-43-4","FC(Cl)Cl","FC(Cl)Cl","FC(Cl)Cl","FC(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[349,4377,"CHLORODIFLUOROMETHANE","75-45-6","FC(F)Cl","FC(F)Cl","FC(F)Cl","FC(F)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[350,4378,"TRIFLUOROMETHANE","75-46-7","FC(F)F","FC(F)F","FC(F)F","FC(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[351,4379,"IODOFORM","75-47-8","IC(I)I","IC(I)I","IC(I)I","IC(I)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[352,2198,"TRIMETHYLAMINE","75-50-3","CN(C)C","CN(C)C","CN(C)C","CN(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[353,4354,"NITROMETHANE","75-52-5","C[N+](=O)[O-]","C[N+](=O)[O-]","C[N+](=O)[O-]","C[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[354,2162,"2-METHYLAZIRIDINE","75-55-8","CC1NC1","CC1NC1","CC1NC1","CC1NC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[355,2139,"PROPYLENE OXIDE","75-56-9","CC1OC1","CC1OC1","CC1OC1","CC1OC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[356,null,"CACODYLIC ACID","75-60-5","C[As](C)(=O)O","C[As](C)(=O)O","C[As](C)(=O)O","C[As](C)(=O)O",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[357,4325,"BROMOTRIFLUOROMETHANE","75-63-8","FC(F)(F)Br","FC(F)(F)Br","FC(F)(F)Br","FC(F)(F)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[358,2255,"T-BUTYLAMINE","75-64-9","CC(C)(C)N","CC(C)(C)N","CC(C)(C)N","CC(C)(C)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[359,2230,"T-BUTANOL","75-65-0","CC(C)(C)O","CC(C)(C)O","CC(C)(C)O","CC(C)(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[360,1938,"1-CHLORO-1,1-DIFLUOROETHANE","75-68-3","CC(F)(F)Cl","CC(F)(F)Cl","CC(F)(F)Cl","CC(F)(F)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[361,4328,"TRICHLOROFLUOROMETHANE","75-69-4","FC(Cl)(Cl)Cl","FC(Cl)(Cl)Cl","FC(Cl)(Cl)Cl","FC(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[362,4327,"DICHLORODIFLUOROMETHANE","75-71-8","FC(F)(Cl)Cl","FC(F)(Cl)Cl","FC(F)(Cl)Cl","FC(F)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[363,4331,"CHLOROTRIFLUOROMETHANE","75-72-9","FC(F)(F)Cl","FC(F)(F)Cl","FC(F)(F)Cl","FC(F)(F)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[364,4334,"TETRAFLUOROMETHANE","75-73-0","FC(F)(F)F","FC(F)(F)F","FC(F)(F)F","FC(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[365,4362,"METHANESULFONIC ACID","75-75-2","CS(=O)(=O)O","CS(=O)(=O)O","CS(=O)(=O)O","CS(=O)(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[366,null,"TETRAMETHYLSILANE","75-76-3","C[Si](C)(C)C","C[Si](C)(C)C","C[Si](C)(C)C","C[Si](C)(C)C",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[367,1927,"ETHANOL, 2,2,2-TRIBROMO-","75-80-9","OCC(Br)(Br)Br","OCC(Br)(Br)Br","OCC(Br)(Br)Br","OCC(Br)(Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[368,2861,"2,2-DIMETHYLBUTANE","75-83-2","CCC(C)(C)C","CCC(C)(C)C","CCC(C)(C)C","CCC(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[369,2565,"2,2-DIMETHYL-1-PROPANOL","75-84-3","CC(C)(C)CO","CC(C)(C)CO","CC(C)(C)CO","CC(C)(C)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[370,2561,"2-METHYL-2-BUTANOL","75-85-4","CCC(C)(C)O","CCC(C)(C)O","CCC(C)(C)O","CCC(C)(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[371,2369,"ACETONE CYANOHYDRIN","75-86-5","CC(C)(O)C#N","CC(C)(O)C#N","CC(C)(O)C#N","CC(C)(O)C#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[372,2024,"TRICHLOROACETALDEHYDE","75-87-6","O=CC(Cl)(Cl)Cl","O=CC(Cl)(Cl)Cl","O=CC(Cl)(Cl)Cl","O=CC(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[373,1913,"1,1,1-TRIFLUORO-2-CHLOROETHANE","75-88-7","FC(F)(F)CCl","FC(F)(F)CCl","FC(F)(F)CCl","FC(F)(F)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[374,1940,"2,2,2-TRIFLUOROETHANOL","75-89-8","OCC(F)(F)F","OCC(F)(F)F","OCC(F)(F)F","OCC(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[375,2019,"Acetic acid, tribromo-","75-96-7","O=C(O)C(Br)(Br)Br","O=C(O)C(Br)(Br)Br","O=C(O)C(Br)(Br)Br","O=C(O)C(Br)(Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[376,2806,"3,3-DIMETHYL-2-BUTANONE","75-97-8","CC(=O)C(C)(C)C","CC(=O)C(C)(C)C","CC(=O)C(C)(C)C","CC(=O)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[377,2503,"2,2-Dimethyl propanoic acid","75-98-9","CC(C)(C)C(=O)O","CC(C)(C)C(=O)O","CC(C)(C)C(=O)O","CC(C)(C)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[378,2064,"DALAPON","75-99-0","CC(Cl)(Cl)C(=O)O","CC(Cl)(Cl)C(=O)O","CC(Cl)(Cl)C(=O)O","CC(Cl)(Cl)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[379,2092,"1,1,1-Trichloro-2-propanol","76-00-6","CC(O)C(Cl)(Cl)Cl","CC(O)C(Cl)(Cl)Cl",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[380,2026,"PENTACHLOROETHANE","76-01-7","ClC(Cl)C(Cl)(Cl)Cl","ClC(Cl)C(Cl)(Cl)Cl","ClC(Cl)C(Cl)(Cl)Cl","ClC(Cl)C(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[381,2025,"TRICHLOROACETIC ACID","76-03-9","O=C(O)C(Cl)(Cl)Cl","O=C(O)C(Cl)(Cl)Cl","O=C(O)C(Cl)(Cl)Cl","O=C(O)C(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[382,2027,"Acetic acid, chlorodifluoro-","76-04-0","O=C(O)C(F)(F)Cl","O=C(O)C(F)(F)Cl","O=C(O)C(F)(F)Cl","O=C(O)C(F)(F)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[383,2029,"TRIFLUOROACETIC ACID","76-05-1","O=C(O)C(F)(F)F","O=C(O)C(F)(F)F","O=C(O)C(F)(F)F","O=C(O)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[384,4329,"TRICHLORONITROMETHANE","76-06-2","O=[N+]([O-])C(Cl)(Cl)Cl","O=[N+]([O-])C(Cl)(Cl)Cl","O=[N+]([O-])C(Cl)(Cl)Cl","O=[N+]([O-])C(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[385,1894,"1,1,1,2-TETRACHLORO-2,2-DIFLUOROETHANE","76-11-9","FC(F)(Cl)C(Cl)(Cl)Cl","FC(F)(Cl)C(Cl)(Cl)Cl","FC(F)(Cl)C(Cl)(Cl)Cl","FC(F)(Cl)C(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[386,1895,"1,1,2,2,-TETRACHLORODIFLUOROETHANE","76-12-0",null,"FC(Cl)(Cl)C(F)(Cl)Cl","FC(Cl)(Cl)C(F)(Cl)Cl","FC(Cl)(Cl)C(F)(Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[387,1892,"1,1,2-TRICHLOROTRIFLUOROETHANE","76-13-1","FC(F)(Cl)C(F)(Cl)Cl","FC(F)(Cl)C(F)(Cl)Cl","FC(F)(Cl)C(F)(Cl)Cl","FC(F)(Cl)C(F)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[388,1891,"1,2-DICHLOROTETRAFLUOROETHANE","76-14-2","FC(F)(Cl)C(F)(F)Cl","FC(F)(Cl)C(F)(F)Cl","FC(F)(Cl)C(F)(F)Cl","FC(F)(Cl)C(F)(F)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[389,1897,"CHLOROPENTAFLUOROETHANE","76-15-3","FC(F)(F)C(F)(F)Cl","FC(F)(F)C(F)(F)Cl","FC(F)(F)C(F)(F)Cl","FC(F)(F)C(F)(F)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[390,1899,"HEXAFLUOROETHANE","76-16-4","FC(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[391,2045,"OCTAFLUOROPROPANE","76-19-7","FC(F)(F)C(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[392,3827,"TRIONAL","76-20-0","CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[393,169,"CAMPHOR","76-22-2","CC12C(CC(CC1)C2(C)C)=O","CC12C(CC(CC1)C2(C)C)=O","CC12C(CC(CC1)C2(C)C)=O","CC12C(CC(CC1)C2(C)C)=O",4,0,0,"NO","NO","Mantain","High Reliability","1815"]
[394,3891,"alloxantin","76-24-4","O=C1NC(C(C(N1)=O)(O)C2(C(NC(NC2=O)=O)=O)O)=O","O=C1NC(C(C(N1)=O)(O)C2(C(NC(NC2=O)=O)=O)O)=O","NC(=O)NC1C(NC(N1)=O)=O","O=C1NC(C(C(N1)=O)(O)C2(C(NC(NC2=O)=O)=O)O)=O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[395,1844,"TRIAMCINOLONE ACETONIDE","76-25-5","CC1(OC2(C(O1)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C)C(=O)CO)C","CC1(OC2(C(O1)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C)C(=O)CO)C","CC1(OC2(C(O1)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C)C(=O)CO)C","CC1(OC2(C(O1)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C)C(=O)CO)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[396,2063,"METHOXYFLURANE","76-38-0","COC(F)(F)C(Cl)Cl","COC(F)(F)C(Cl)Cl","COC(F)(F)C(Cl)Cl","COC(F)(F)C(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[397,2461,"2-METHYL-2-NITRO-1-PROPANOL","76-39-1","CC(C)(CO)[N+](=O)[O-]","CC(C)(CO)[N+](=O)[O-]","CC(C)(CO)[N+](=O)[O-]","CC(C)(CO)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[398,2362,"2,2,3-TRICHLORO-1,1-BUTANEDIOL","76-40-4","CC(Cl)C(Cl)(Cl)C(O)O","CC(Cl)C(Cl)(Cl)C(O)O","CC(Cl)C(Cl)(Cl)C(O)O","CC(Cl)C(Cl)(Cl)C(O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[399,261,"HEPTACHLOR","76-44-8","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C=C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C=C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C=C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C=C3)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[400,1562,"CODEINE","76-57-3","COc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O","COc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O","COc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O","COc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[401,1644,"DIONINE","76-58-4","CCOc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O","CCOc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O","CCOc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O","CCOc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[402,465,"PENTOBARBITAL","76-74-4","CCCC(C)C1(C(NC(NC1=O)=O)=O)CC","CCCC(C)C1(C(NC(NC1=O)=O)=O)CC","CCCC(C)C1(C(NC(=NC1=O)O)=O)CC","CCCC(C)C1(C(NC(=NC1=O)O)=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[403,4124,"PROBARBITAL","76-76-6","CCC1(C(NC(NC1=O)=O)=O)C(C)C","CCC1(C(NC(NC1=O)=O)=O)C(C)C","CCC1(C(NC(NC1=O)=O)=O)C(C)C","CCC1(C(NC(NC1=O)=O)=O)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[404,null,"benzenemethanol,4-amino-.alpha.,.alpha.-bis(4-a","76-82-4",null,"Cc1c(ccc(c1)C(O)(c2ccc(cc2)N)c3ccc(cc3)N)N",null,"Cc1c(ccc(c1)C(O)(c2ccc(cc2)N)c3ccc(cc3)N)N",2,0,2,"NO","NO","Manual Check","Verify Name"]
[405,1621,"TRIPHENYLCARBINOL","76-84-6","OC(c1ccccc1)(c2ccccc2)c3ccccc3","OC(c1ccccc1)(c2ccccc2)c3ccccc3","OC(c1ccccc1)(c2ccccc2)c3ccccc3","OC(c1ccccc1)(c2ccccc2)c3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[406,null,"TRIPHENYLTIN HYDROXIDE","76-87-9","c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1",null,"O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3","O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3",2,1,1,"NO","YES","Eliminate","-",null,"Unusual elements, Missing/ambiguous"]
[407,1133,"BENZILIC ACID","76-93-7","O=C(O)C(O)(c1ccccc1)c2ccccc2","O=C(O)C(O)(c1ccccc1)c2ccccc2","O=C(O)C(O)(c1ccccc1)c2ccccc2","O=C(O)C(O)(c1ccccc1)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[408,null,"barbituricacid,5-me-5-phenyl-","76-94-8",null,"CC1(C(NC(NC1=O)=O)=O)c2ccccc2",null,"CC1(C(NC(NC1=O)=O)=O)c2ccccc2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[409,122,"APROBARBITAL","77-02-1","C=CCC1(C(NC(NC1=O)=O)=O)C(C)C","C=CCC1(C(NC(NC1=O)=O)=O)C(C)C","C=CCC1(C(NC(NC1=O)=O)=O)C(C)C","C=CCC1(C(NC(NC1=O)=O)=O)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[410,1641,"GIBBERELLIC ACID","77-06-5","C=C1C2(CC3(C1)C(CC2)C45OC(C(C(C=C4)O)(C)C5C3C(=O)O)=O)O","C=C1C2(CC3(C1)C(CC2)C45OC(C(C(C=C4)O)(C)C5C3C(=O)O)=O)O","C=C1C2(CC3(C1)C(CC2)C45OC(C(C(C=C4)O)(C)C5C3C(=O)O)=O)O","C=C1C2(CC3(C1)C(CC2)C45OC(C(C(C=C4)O)(C)C5C3C(=O)O)=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[411,1683,"PHENOLPHTHALEIN","77-09-8","O=C1c2c(C(O1)(c3ccc(cc3)O)c4ccc(cc4)O)cccc2","O=C1c2c(C(O1)(c3ccc(cc3)O)c4ccc(cc4)O)cccc2","O=C1c2c(C(O1)(c3ccc(cc3)O)c4ccc(cc4)O)cccc2","O=C1c2c(C(O1)(c3ccc(cc3)O)c4ccc(cc4)O)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[412,null,"2-ethyl-2-phenylgluterimide","77-21-4",null,"CCC1(C(NC(CC1)=O)=O)c2ccccc2",null,"CCC1(C(NC(CC1)=O)=O)c2ccccc2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[413,447,"Butalbital","77-26-9","C=CCC1(C(NC(NC1=O)=O)=O)CC(C)C","C=CCC1(C(NC(NC1=O)=O)=O)CC(C)C","C=CCC1(C(NC(NC1=O)=O)=O)CC(C)C","C=CCC1(C(NC(NC1=O)=O)=O)CC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[414,672,"THIAMYLAL","77-27-0","C=CCC1(C(NC(NC1=O)=S)=O)C(C)CCC","C=CCC1(C(NC(NC1=O)=S)=O)C(C)CCC","C=CCC1(C(NC(NC1=O)=S)=O)C(C)CCC","C=CCC1(C(NC(NC1=O)=S)=O)C(C)CCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[415,158,"5-BUTYL-5-ETHYLBARBITURIC ACID","77-28-1","CCCCC1(C(NC(NC1=O)=O)=O)CC","CCCCC1(C(NC(NC1=O)=O)=O)CC","CCCCC1(C(NC(NC1=O)=O)=O)CC","CCCCC1(C(NC(NC1=O)=O)=O)CC",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[416,1113,"Chlorthalidone","77-36-1","NS(=O)(=O)c1c(ccc(c1)C2(c3c(C(N2)=O)cccc3)O)Cl","NS(=O)(=O)c1c(ccc(c1)C2(c3c(C(N2)=O)cccc3)O)Cl","NS(=O)(=O)c1c(ccc(c1)C2(c3c(C(N2)=O)cccc3)O)Cl","NS(=O)(=O)c1c(ccc(c1)C2(c3c(C(N2)=O)cccc3)O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[417,2467,"HEXACHLOROCYCLOPENTADIENE","77-47-4","ClC=1C(=C(C(C1Cl)(Cl)Cl)Cl)Cl","ClC=1C(=C(C(C1Cl)(Cl)Cl)Cl)Cl","ClC=1C(=C(C(C1Cl)(Cl)Cl)Cl)Cl","ClC=1C(=C(C(C1Cl)(Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[418,2464,"2-METHYL-2-NITROPROPANE-1,3-DIOL","77-49-6","CC(CO)(CO)[N+](=O)[O-]","CC(CO)(CO)[N+](=O)[O-]","CC(CO)(CO)[N+](=O)[O-]","CC(CO)(CO)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[419,3229,"CARBROMAL","77-65-6","CCC(Br)(CC)C(=O)NC(N)=O","CCC(Br)(CC)C(=O)NC(N)=O","CCC(Br)(CC)C(=O)NC(N)=O","CCC(Br)(CC)C(=O)NC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[420,2661,"2,4-IMIDAZOLIDINEDIONE, 5,5-DIMETHYL-","77-71-4","CC1(C(NC(N1)=O)=O)C","CC1(C(NC(N1)=O)=O)C","CC1(C(NC(N1)=O)=O)C","CC1(C(NC(N1)=O)=O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[421,2883,"3-METHYL-3-PENTANOL","77-74-7","CCC(C)(O)CC","CCC(C)(O)CC","CCC(C)(O)CC","CCC(C)(O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[422,2718,"methylpentynol","77-75-8","CCC(C)C#CO","C#CC(C)(O)CC","C#CC(C)(O)CC","C#CC(C)(O)CC",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[423,2000,"DIMETHYLSULFATE","77-78-1","COS(=O)(=O)OC","COS(=O)(=O)OC","COS(=O)(=O)OC","COS(=O)(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[424,2521,"TABUN","77-81-6","CCOP(=O)(C#N)N(C)C","CCOP(=O)(C#N)N(C)C","CCOP(=O)(C#N)N(C)C","CCOP(=O)(C#N)N(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[425,2262,"AMINOTRIS(HYDROXYMETHYL)METHANE","77-86-1","NC(CO)(CO)CO","NC(CO)(CO)CO","NC(CO)(CO)CO","NC(CO)(CO)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[426,1721,"ACETYL TRIBUTYL CITRATE","77-90-7","CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC","CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC","CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC","CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[427,3149,"CITRIC ACID","77-92-9","O=C(O)CC(O)(CC(=O)O)C(=O)O","O=C(O)CC(O)(CC(=O)O)C(=O)O","O=C(O)CC(O)(CC(=O)O)C(=O)O","O=C(O)CC(O)(CC(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","2719"]
[428,685,"TRIETHYL CITRATE","77-93-0","CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC","CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC","CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC","CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[429,3227,"Quinic acid","77-95-2","O=C(O)C1(CC(C(C(C1)O)O)O)O","O=C(O)C1(CC(C(C(C1)O)O)O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[430,2899,"1,1,1-TRIS(HYDROXYMETHYL)PROPANE","77-99-6","CCC(CO)(CO)CO","CCC(CO)(CO)CO","CCC(CO)(CO)CO","CCC(CO)(CO)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[431,2666,"pentaerythritoltetranitrate","78-11-5","OCC(CO)(CO)CO","O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[432,3293,"3-pentanol,3-methyl-,carbamate","78-28-4","CCC(C)(O)CC","CCC(C)(CC)OC(N)=O","CCC(C)(CC)OC(N)=O","CCC(C)(CC)OC(N)=O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[433,1737,"TRI-P-CRESYL PHOSPHATE","78-32-0","Cc1ccc(cc1)OP(=O)(Oc2ccc(cc2)C)Oc3ccc(cc3)C","Cc1ccc(cc1)OP(=O)(Oc2ccc(cc2)C)Oc3ccc(cc3)C",null,"Cc1ccc(cc1)OP(=O)(Oc2ccc(cc2)C)Oc3ccc(cc3)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[434,2922,"TRIETHYL PHOSPHATE","78-40-0","CCOP(=O)(OCC)OCC","CCOP(=O)(OCC)OCC","CCOP(=O)(OCC)OCC","CCOP(=O)(OCC)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[435,707,"Carisoprodol","78-44-4","CCCC(C)(COC(N)=O)COC(=O)NC(C)C","CCCC(C)(COC(N)=O)COC(=O)NC(C)C","CCCC(C)(COC(N)=O)COC(=O)NC(C)C","CCCC(C)(COC(N)=O)COC(=O)NC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[436,721,"DIBUTYL BUTYLPHOSPHONATE","78-46-6","CCCCOP(=O)(CCCC)OCCCC","CCCCOP(=O)(CCCC)OCCCC","CCCCOP(=O)(CCCC)OCCCC","CCCCOP(=O)(CCCC)OCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[437,724,"TRIBUFOS","78-48-8","CCCCSP(=O)(SCCCC)SCCCC","CCCCSP(=O)(SCCCC)SCCCC","CCCCSP(=O)(SCCCC)SCCCC","CCCCSP(=O)(SCCCC)SCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[438,1600,"TRI-2-BUTOXYETHYL PHOSPHATE","78-51-3",null,"CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC","CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC","CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[439,2793,"MENAZON","78-57-9","COP(=S)(OC)SCc1nc(nc(n1)N)N","COP(=S)(OC)SCc1nc(nc(n1)N)N","COP(=S)(OC)SCc1nc(nc(n1)N)N","COP(=S)(OC)SCc1nc(nc(n1)N)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[440,4126,"ISOPHORONE","78-59-1","CC=1CC(CC(C1)=O)(C)C","CC=1CC(CC(C1)=O)(C)C","CC=1CC(CC(C1)=O)(C)C","CC=1CC(CC(C1)=O)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[441,3698,"2,2'-Azobis(2-methylpropionitrile)","78-67-1","CC(C)(C#N)N=NC(C)(C)C#N","CC(C)(C#N)N=NC(C)(C)C#N","CC(C)(C#N)N=NC(C)(C)C#N","CC(C)(C#N)N=NC(C)(C)C#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[442,186,"LINALOOL","78-70-6","C=CC(C)(O)CCC=C(C)C","C=CC(C)(O)CCC=C(C)C","C=CC(C)(O)CCC=C(C)C","C=CC(C)(O)CCC=C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[443,1926,"Ethane, 1,1,2-tribromo-","78-74-0","BrCC(Br)Br","BrCC(Br)Br","BrCC(Br)Br","BrCC(Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[444,2110,"1,2-DIBROMOPROPANE","78-75-1","CC(Br)CBr","CC(Br)CBr","CC(Br)CBr","CC(Br)CBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[445,2429,"ISOBUTYL BROMIDE","78-77-3","CC(C)CBr","CC(C)CBr","CC(C)CBr","CC(C)CBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[446,2541,"ISOPENTANE","78-78-4","CCC(C)C","CCC(C)C","CCC(C)C","CCC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[447,2657,"2-METHYL-1,3-BUTADIENE","78-79-5","C=CC(=C)C","C=CC(=C)C","C=CC(=C)C","C=CC(=C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[448,2254,"ISOBUTYLAMINE","78-81-9","CC(C)CN","CC(C)CN","CC(C)CN","CC(C)CN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[449,2228,"ISOBUTYL ALCOHOL","78-83-1","CC(C)CO","CC(C)CO","CC(C)CO","CC(C)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[450,2410,"ISOBUTYRALDEHYDE","78-84-2","CC(C)C=O","CC(C)C=O","CC(C)C=O","CC(C)C=O",4,0,0,"NO","NO","Mantain","High Reliability","1959"]
[451,2332,"METHACROLEIN","78-85-3","C=C(C)C=O","C=C(C)C=O","C=C(C)C=O","C=C(C)C=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[452,2432,"2-CHLOROBUTANE","78-86-4","CCC(C)Cl","CCC(C)Cl","CCC(C)Cl","CCC(C)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[453,2117,"1,2-DICHLOROPROPANE","78-87-5","CC(Cl)CCl","CC(Cl)CCl","CC(Cl)CCl","CC(Cl)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[454,2061,"2,3-DICHLOROPROPENE","78-88-6","C=C(Cl)CCl","C=C(Cl)CCl","C=C(Cl)CCl","C=C(Cl)CCl",4,0,0,"NO","NO","Mantain","High Reliability","2180"]
[455,2225,"2-BUTANOL","78-92-2","CCC(C)O","CCC(C)O","CCC(C)O","CCC(C)O",4,0,0,"NO","NO","Mantain","High Reliability","4082"]
[456,2408,"2-BUTANONE","78-93-3","CCC(C)=O","CCC(C)=O","CCC(C)=O","CCC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[457,2093,"CHLOROACETONE","78-95-5","CC(=O)CCl","CC(=O)CCl","CC(=O)CCl","CC(=O)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[458,2200,"1-AMINO-2-PROPANOL","78-96-6","CC(O)CN","CC(O)CN","CC(O)CN","CC(O)CN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[459,2116,"1,1-Dichloropropane","78-99-9","CCC(Cl)Cl","CCC(Cl)Cl","CCC(Cl)Cl","CCC(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[460,1935,"1,1,2-TRICHLOROETHANE","79-00-5","ClCC(Cl)Cl","ClCC(Cl)Cl","ClCC(Cl)Cl","ClCC(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[461,2023,"TRICHLOROETHENE","79-01-6","ClC=C(Cl)Cl","ClC=C(Cl)Cl","ClC=C(Cl)Cl","ClC=C(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[462,2104,"ACRYLAMIDE","79-06-1","C=CC(N)=O","C=CC(N)=O","C=CC(N)=O","C=CC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[463,1955,"CHLOROACETAMIDE","79-07-2","NC(=O)CCl","NC(=O)CCl","NC(=O)CCl","NC(=O)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[464,1929,"BROMOACETIC ACID","79-08-3","O=C(O)CBr","O=C(O)CBr","O=C(O)CBr","O=C(O)CBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[465,2141,"PROPIONIC ACID","79-09-4","CCC(=O)O","CCC(=O)O","CCC(=O)O","CCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1533, 2165"]
[466,2077,"ACRYLIC ACID","79-10-7","C=CC(=O)O","C=CC(=O)O","C=CC(=O)O","C=CC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[467,1939,"CHLOROACETIC ACID","79-11-8","O=C(O)CCl","O=C(O)CCl","O=C(O)CCl","O=C(O)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[468,2165,"N-METHYLACETAMIDE","79-16-3","CNC(C)=O","CNC(C)=O","CNC(C)=O","CNC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[469,4367,"THIOSEMICARBAZIDE","79-19-6","NNC(N)=S","NNC(N)=S","NNC(N)=S","NNC(N)=S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[470,2144,"METHYL ACETATE","79-20-9","COC(C)=O","COC(C)=O","COC(C)=O","COC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[471,1968,"PEROXYACETIC ACID","79-21-0","CC(=O)OO","CC(=O)OO","CC(=O)OO","CC(=O)OO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[472,1984,"NITROETHANE","79-24-3","CC[N+](=O)[O-]","CC[N+](=O)[O-]","CC[N+](=O)[O-]","CC[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[473,1905,"1,1,2,2-TETRABROMOETHANE","79-27-6","BrC(Br)C(Br)Br","BrC(Br)C(Br)Br","BrC(Br)C(Br)Br","BrC(Br)C(Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[474,2860,"2,3-DIMETHYLBUTANE","79-29-8","CC(C)C(C)C","CC(C)C(C)C","CC(C)C(C)C","CC(C)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[475,2417,"ISOBUTYRIC ACID","79-31-2","CC(C)C(=O)O","CC(C)C(=O)O","CC(C)C(=O)O","CC(C)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[476,1911,"1,1,2,2-TETRACHLOROETHANE","79-34-5","ClC(Cl)C(Cl)Cl","ClC(Cl)C(Cl)Cl","ClC(Cl)C(Cl)Cl","ClC(Cl)C(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[477,2334,"METHACRYLIC ACID","79-41-4","C=C(C)C(=O)O","C=C(C)C(=O)O","C=C(C)C(=O)O","C=C(C)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[478,1909,"DICHLOROACETIC ACID","79-43-6","O=C(O)C(Cl)Cl","O=C(O)C(Cl)Cl","O=C(O)C(Cl)Cl","O=C(O)C(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[479,2171,"2-NITROPROPANE","79-46-9","CC(C)[N+](=O)[O-]","CC(C)[N+](=O)[O-]","CC(C)[N+](=O)[O-]","CC(C)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[480,null,"oxytetracylcine","79-57-2",null,"CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C3C(C(c4c(C3=O)c(O)ccc4)(C)O)C2O",null,"CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4)(C)O)C2O",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[481,4165,"D-PANTOTHENIC ACID","79-83-4","CC(C)(CO)C(O)C(=O)NCCC(=O)O","CC(C)(CO)C(O)C(=O)NCCC(=O)O","CC(C)(CO)C(O)C(=O)NCCC(=O)O","CC(C)(CO)C(O)C(=O)NCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[482,null,"3-Furancarboxylic acid, tetrahydro-2,2-dimethyl-","79-91-4","CC1(C(CCO1)C(=O)O)C","CC1(C(CC(O1)=O)C(=O)O)C",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Stereochemistry removed, Missing/ambiguous"]
[483,154,"CAMPHENE","79-92-5","C=C1C(C2CCC1C2)(C)C","C=C1C(C2CCC1C2)(C)C","C=C1C(C2CCC1C2)(C)C","C=C1C(C2CCC1C2)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[484,1169,"2-p-sulfanilylanilinoethanol","80-02-4","CC(O)Nc1c(cccc1)S(=O)(=O)c2ccc(cc2)N","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)NCCO","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)NCCO","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)NCCO",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[485,1320,"DIPHENYLOLPROPANE","80-05-7","CC(C)(c1ccc(cc1)O)c2ccc(cc2)O","CC(C)(c1ccc(cc1)O)c2ccc(cc2)O","CC(C)(c1ccc(cc1)O)c2ccc(cc2)O","CC(C)(c1ccc(cc1)O)c2ccc(cc2)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[486,579,"di(p-aminophenyl)sulfone","80-08-0",null,"Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N",null,"Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[487,4104,"cumenehydroperoxide","80-15-9","CC(C)c1ccccc1","CC(C)(OO)c1ccccc1","CC(C)(OO)c1ccccc1","CC(C)(OO)c1ccccc1",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[488,3577,"METHYL BENZENESULFONATE","80-18-2","COS(=O)(=O)c1ccccc1","COS(=O)(=O)c1ccccc1","COS(=O)(=O)c1ccccc1","COS(=O)(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[489,329,"Sulfachlorpyridazine","80-32-0","Nc1ccc(cc1)S(=O)(=O)Nc2nnc(cc2)Cl","Nc1ccc(cc1)S(=O)(=O)Nc2nnc(cc2)Cl","Nc1ccc(cc1)S(=O)(=O)Nc2nnc(cc2)Cl","Nc1ccc(cc1)S(=O)(=O)Nc2nnc(cc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[490,null,"benzenesulfonamide,4-amino-n-[5-(1-methylethyl)","80-34-2",null,"CC(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",null,"CC(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",2,0,2,"NO","NO","Manual Check","Verify Name"]
[491,382,"SULFAMETHOXYPYRIDAZINE","80-35-3","COc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N","COc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N","COc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N","COc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[492,1568,"PEROXIDE, BIS(1-METHYL-1-PHENYLETHYL)","80-43-3","CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2","CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2","CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2","CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[493,451,"P-TERT-AMYLPHENOL","80-46-6","CCC(C)(C)c1ccc(cc1)O","CCC(C)(C)c1ccc(cc1)O","CCC(C)(C)c1ccc(cc1)O","CCC(C)(C)c1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[494,228,"Terpin","80-53-5","CC1(CCC(CC1)C(C)(C)O)O","CC1(CCC(CC1)C(C)(C)O)O","CC1(CCC(CC1)C(C)(C)O)O","CC1(CCC(CC1)C(C)(C)O)O",4,0,0,"NO","NO","Mantain","High Reliability","2188"]
[495,153,"ALPHA-PINENE","80-56-8","CC=1C2CC(CC1)C2(C)C","CC=1C2CC(CC1)C2(C)C","CC=1C2CC(CC1)C2(C)C","CC=1C2CC(CC1)C2(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[496,2356,"a-bromobutyricacid","80-58-0",null,"CCC(Br)C(=O)O",null,"CCC(Br)C(=O)O",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[497,2447,"ALPHA-AMINOBUTYRIC ACID","80-60-4","CCC(N)C(=O)O","CCC(N)C(=O)O",null,"CCC(N)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","3293"]
[498,2675,"METHYL METHACRYLATE","80-62-6","C=C(C)C(=O)OC","C=C(C)C(=O)OC","C=C(C)C(=O)OC","C=C(C)C(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[499,2457,"DL-Threonine","80-68-2","CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1606, 292","Stereochemistry removed"]
[500,1021,"Acetyl sulfisoxazole","80-74-0","CC(=O)N(c1c(c(no1)C)C)S(=O)(=O)c2ccc(cc2)N","CC(=O)N(c1c(c(no1)C)C)S(=O)(=O)c2ccc(cc2)N",null,"CC(=O)N(c1c(c(no1)C)C)S(=O)(=O)c2ccc(cc2)N",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[501,null,"PREG-4-ENE-3,20-DIONE, 11-HYDROXY-, (11.alpha.)-","80-75-1",null,"CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[502,372,"Chlormezanone","80-77-3","CN1C(S(CCC1=O)(=O)=O)c2ccc(cc2)Cl","CN1C(S(CCC1=O)(=O)=O)c2ccc(cc2)Cl","CN1C(S(CCC1=O)(=O)=O)c2ccc(cc2)Cl","CN1C(S(CCC1=O)(=O)=O)c2ccc(cc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[503,3418,"1,1-DIOX-1,2-BENZISOTHIAZOL-3-ONE","81-07-2",null,"O=C1c2c(S(N1)(=O)=O)cccc2","O=C1c2c(S(N1)(=O)=O)cccc2","O=C1c2c(S(N1)(=O)=O)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[504,4189,"Dexpanthenol","81-13-0","CC(C)(CO)C(O)C(=O)NCCCO","CC(C)(CO)C(O)C(=O)NCCCO","CC(C)(CO)C(O)C(=O)NCCCO","CC(C)(CO)C(O)C(=O)NCCCO",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[505,1186,"Musk ketone","81-14-1","CC(=O)c1c(c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C","CC(=O)c1c(c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C","CC(=O)c1c(c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C","CC(=O)c1c(c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[506,1848,"DEHYDROCHOLIC ACID","81-23-2","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3=O)CC(=O)CC4)C)CC2=O)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3=O)CC(=O)CC4)C)CC2=O)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3=O)CC(=O)CC4)C)CC2=O)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3=O)CC(=O)CC4)C)CC2=O)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[507,1857,"CHOLIC ACID","81-25-4","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[508,1250,"PURPURIN","81-54-9","O=C1c2c(C(c3c1cccc3)=O)c(O)c(O)cc2O","O=C1c2c(C(c3c1cccc3)=O)c(O)c(O)cc2O","O=C1c2c(C(c3c1cccc3)=O)c(O)c(O)cc2O","O=C1c2c(C(c3c1cccc3)=O)c(O)c(O)cc2O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[509,1622,"WARFARIN","81-81-2","CC(=O)CC(c1ccccc1)c2c(c3c(oc2O)cccc3)=O","CC(=O)CC(c1ccccc1)c2c(c3c(oc2O)cccc3)=O","CC(=O)CC(c1ccccc1)c2c(oc3c(c2O)cccc3)=O","CC(=O)CC(c1ccccc1)c2c(oc3c(c2O)cccc3)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[510,1615,"COUMACHLOR","81-82-3","CC(=O)CC(c1ccc(cc1)Cl)c2c(c3c(oc2O)cccc3)=O","CC(=O)CC(c1ccc(cc1)Cl)c2c(c3c(oc2O)cccc3)=O","CC(=O)CC(c1ccc(cc1)Cl)c2c(oc3c(c2O)cccc3)=O","CC(=O)CC(c1ccc(cc1)Cl)c2c(oc3c(c2O)cccc3)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[511,1690,"Benzoic acid, 2- bis(4-hydroxyphenyl)methyl -","81-90-3",null,"O=C(O)c1c(cccc1)C(c2ccc(cc2)O)c3ccc(cc3)O","O=C(O)c1c(cccc1)C(c2ccc(cc2)O)c3ccc(cc3)O","O=C(O)c1c(cccc1)C(c2ccc(cc2)O)c3ccc(cc3)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[512,1136,"Khellin","82-02-0","COc1c2c(c(c3c1occ3)OC)c(=O)cc(C)o2","COc1c2c(c(c3c1occ3)OC)c(=O)cc(C)o2","COc1c2c(c(c3c1occ3)OC)c(=O)cc(C)o2","COc1c2c(c(c3c1occ3)OC)c(=O)cc(C)o2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[513,1275,"1-AMINO-2-METHYL-9,10-ANTHRACENEDIONE","82-28-0","Cc1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)N","Cc1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)N","Cc1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)N","Cc1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[514,1251,"1,8-ANTHRAQUINONEDISULFONIC ACID","82-48-4","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)c(ccc2)S(=O)(=O)O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)c(ccc2)S(=O)(=O)O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)c(ccc2)S(=O)(=O)O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)c(ccc2)S(=O)(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[515,1819,"DIPHACINONE","82-66-6","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccccc4","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccccc4","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccccc4","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccccc4",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[516,2706,"PENTACHLORONITROBENZENE","82-68-8","O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[517,2970,"2,4,6-TRINITRORESORCINOL","82-71-3","O=[N+]([O-])c1c(c(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])O","O=[N+]([O-])c1c(c(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])O","O=[N+]([O-])c1c(c(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])O","O=[N+]([O-])c1c(c(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[518,1565,"CYCLIZINE","82-92-8","CN1CCN(CC1)C(c2ccccc2)c3ccccc3","CN1CCN(CC1)C(c2ccccc2)c3ccccc3","CN1CCN(CC1)C(c2ccccc2)c3ccccc3","CN1CCN(CC1)C(c2ccccc2)c3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[519,395,"Ampyrone","83-07-8","Cc1n(n(c(c1N)=O)-c2ccccc2)C","Cc1n(n(c(c1N)=O)-c2ccccc2)C","Cc1n(n(c(c1N)=O)-c2ccccc2)C",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[520,1152,"PINDONE","83-26-1","CC(C)(C)C(=O)C1C(c2c(C1=O)cccc2)=O","CC(C)(C)C(=O)C1C(c2c(C1=O)cccc2)=O","CC(C)(C)C(=O)C1C(c2c(C1=O)cccc2)=O","CC(C)(C)C(=O)C1C(c2c(C1=O)cccc2)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[521,532,"ACENAPHTHENE","83-32-9","c1cc2c3c(c1)CCc3ccc2","c1cc2c3c(c1)CCc3ccc2","c1cc2c3c(c1)CCc3ccc2","c1cc2c3c(c1)CCc3ccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[522,4306,"3-METHYLINDOLE","83-34-1","Cc1c2c([nH]c1)cccc2","Cc1c2c([nH]c1)cccc2","Cc1c2c([nH]c1)cccc2","Cc1c2c([nH]c1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[523,3965,"3-METHYLSALICYLIC ACID","83-40-9","Cc1c(c(ccc1)C(=O)O)O","Cc1c(c(ccc1)C(=O)O)O","Cc1c(c(ccc1)C(=O)O)O","Cc1c(c(ccc1)C(=O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[524,1810,"Methylprednisolone","83-43-2","CC1C=2C(C3C(C1)C4C(CC3O)(C(CC4)(O)C(=O)CO)C)(C)C=CC(=O)C2","CC1C=2C(C3C(C1)C4C(CC3O)(C(CC4)(O)C(=O)CO)C)(C)C=CC(=O)C2","CC1C=2C(C3C(C1)C4C(CC3O)(C(CC4)(O)C(=O)CO)C)(C)C=CC(=O)C2","CC1C=2C(C3C(C1)C4C(CC3O)(C(CC4)(O)C(=O)CO)C)(C)C=CC(=O)C2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[525,1855,"DEOXYCHOLIC ACID","83-44-3","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[526,1854,"HYODEOXYCHOLIC ACID","83-49-8","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(C(C3)O)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(C(C3)O)CC(O)CC4)C)CC2)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[527,332,"4(1H)-Quinolinone, 1-methyl-","83-54-5","Cn1c2c(c(cc1)=O)cccc2","Cn1c2c(c(cc1)=O)cccc2","Cn1c2c(c(cc1)=O)cccc2","Cn1c2c(c(cc1)=O)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[528,314,"1,5-DIHYDROXYNAPHTHALENE","83-56-7","Oc1c2c(ccc1)c(O)ccc2","Oc1c2c(ccc1)c(O)ccc2","Oc1c2c(ccc1)c(O)ccc2","Oc1c2c(ccc1)c(O)ccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[529,3560,"THEOBROMINE","83-67-0","Cn1c2c(nc1)n(c([nH]c2=O)=O)C","Cn1c2c(nc1)n(c([nH]c2=O)=O)C","Cn1c2c(nc1)n(c([nH]c2=O)=O)C","Cn1c2c(nc1)n(c([nH]c2=O)=O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[530,1822,"ROTENONE","83-79-4","C=C(C)C1Oc2c(C1)c3c(cc2)C(C4C(O3)COc5c4cc(c(c5)OC)OC)=O","C=C(C)C1Oc2c(C1)c3c(cc2)C(C4C(O3)COc5c4cc(c(c5)OC)OC)=O","C=C(C)C1Oc2c(C1)c3c(cc2)C(C4C(O3)COc5c4cc(c(c5)OC)OC)=O","C=C(C)C1Oc2c(C1)c3c(cc2)C(C4C(O3)COc5c4cc(c(c5)OC)OC)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[531,2928,"Phytic Acid","83-86-3","O=P(O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","O=P(O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","O=P(O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","O=P(O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[532,1502,"RIBOFLAVIN","83-88-5","Cc1c(cc2c(c1)nc3-c(nc([nH]c3=O)=O)n2CC(O)C(O)C(O)CO)C","Cc1c(cc2c(c1)nc3-c(nc([nH]c3=O)=O)n2CC(O)C(O)C(O)CO)C","Cc1c(cc2c(c1)nc3-c(nc([nH]c3=O)=O)n2CC(O)C(O)C(O)CO)C","Cc1c(cc2c(c1)nc3-c(nc([nH]c3=O)=O)n2CC(O)C(O)C(O)CO)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[533,1829,"Thiopropazate","84-06-0","CC(=O)OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3","CC(=O)OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3","CC(=O)OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3","CC(=O)OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[534,1244,"9,10-PHENANTHRENEDIONE","84-11-7","O=C1c2c(-c3c(C1=O)cccc3)cccc2","O=C1c2c(-c3c(C1=O)cccc3)cccc2","O=C1c2c(-c3c(C1=O)cccc3)cccc2","O=C1c2c(-c3c(C1=O)cccc3)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[535,1545,"O-TERPHENYL","84-15-1","c1ccc(cc1)-c2c(cccc2)-c3ccccc3","c1ccc(cc1)-c2c(cccc2)-c3ccccc3","c1ccc(cc1)-c2c(cccc2)-c3ccccc3","c1ccc(cc1)-c2c(cccc2)-c3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[536,1570,"Hexestrol","84-16-2","CCC(c1ccc(cc1)O)C(CC)c2ccc(cc2)O","CCC(c1ccc(cc1)O)C(CC)c2ccc(cc2)O","CCC(c1ccc(cc1)O)C(CC)c2ccc(cc2)O","CCC(c1ccc(cc1)O)C(CC)c2ccc(cc2)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[537,1553,"Dienestrol","84-17-3","CC=C(C(=CC)c1ccc(cc1)O)c2ccc(cc2)O","CC=C(C(=CC)c1ccc(cc1)O)c2ccc(cc2)O","CC=C(C(=CC)c1ccc(cc1)O)c2ccc(cc2)O","CC=C(C(=CC)c1ccc(cc1)O)c2ccc(cc2)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[538,126,"3'-Adenylic acid","84-21-9","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[539,1697,"Quininone","84-31-1","C=CC1C2CCN(C1)C(C2)C(=O)c3c4c(ncc3)ccc(OC)c4","C=CC1C2CCN(C1)C(C2)C(=O)c3c4c(ncc3)ccc(OC)c4","C=CC1C2CCN(C1)C(C2)C(=O)c3c4c(ncc3)ccc(OC)c4",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[540,1249,"2,6-DIHYDROXY-ANTHRAQUINONE","84-60-6","O=C1c2c(C(c3c1ccc(O)c3)=O)ccc(O)c2","O=C1c2c(C(c3c1ccc(O)c3)=O)ccc(O)c2",null,"O=C1c2c(C(c3c1ccc(O)c3)=O)ccc(O)c2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[541,1710,"DICYCLOHEXYL PHTHALATE","84-61-7","O=C(OC1CCCCC1)c2c(cccc2)C(=O)OC3CCCCC3","O=C(OC1CCCCC1)c2c(cccc2)C(=O)OC3CCCCC3","O=C(OC1CCCCC1)c2c(cccc2)C(=O)OC3CCCCC3","O=C(OC1CCCCC1)c2c(cccc2)C(=O)OC3CCCCC3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[542,1684,"DIPHENYL PHTHALATE","84-62-8","O=C(Oc1ccccc1)c2c(cccc2)C(=O)Oc3ccccc3","O=C(Oc1ccccc1)c2c(cccc2)C(=O)Oc3ccccc3","O=C(Oc1ccccc1)c2c(cccc2)C(=O)Oc3ccccc3","O=C(Oc1ccccc1)c2c(cccc2)C(=O)Oc3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[543,1245,"ANTHRAQUINONE","84-65-1","O=C1c2c(C(c3c1cccc3)=O)cccc2","O=C1c2c(C(c3c1cccc3)=O)cccc2","O=C1c2c(C(c3c1cccc3)=O)cccc2","O=C1c2c(C(c3c1cccc3)=O)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[544,622,"DIETHYL PHTHALATE","84-66-2","CCOC(=O)c1c(cccc1)C(=O)OCC","CCOC(=O)c1c(cccc1)C(=O)OCC","CCOC(=O)c1c(cccc1)C(=O)OCC","CCOC(=O)c1c(cccc1)C(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[545,1447,"DI-ISOBUTYLPHTHALATE","84-69-5","CC(C)COC(=O)c1c(cccc1)C(=O)OCC(C)C","CC(C)COC(=O)c1c(cccc1)C(=O)OCC(C)C","CC(C)COC(=O)c1c(cccc1)C(=O)OCC(C)C","CC(C)COC(=O)c1c(cccc1)C(=O)OCC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[546,1448,"DIBUTYL PHTHALATE","84-74-2","CCCCOC(=O)c1c(cccc1)C(=O)OCCCC","CCCCOC(=O)c1c(cccc1)C(=O)OCCCC","CCCCOC(=O)c1c(cccc1)C(=O)OCCCC","CCCCOC(=O)c1c(cccc1)C(=O)OCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[547,1719,"DIHEXYL PHTHALATE","84-75-3","CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC","CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC","CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC","CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[548,1885,"DIDECYL PHTHALATE","84-77-5","CCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCCCC","CCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCCCC","CCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCCCC","CCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[549,1303,"Xanthoxyletin","84-99-1","COc1c2c(cc3c1C=CC(O3)(C)C)oc(=O)cc2","COc1c2c(cc3c1C=CC(O3)(C)C)oc(=O)cc2","COc1c2c(cc3c1C=CC(O3)(C)C)oc(=O)cc2","COc1c2c(cc3c1C=CC(O3)(C)C)oc(=O)cc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[550,577,"DIQUAT DIBROMIDE","85-00-7","c1cc-2[n+](cc1)CC[n+]3c2cccc3","c1cc-2[n+](cc1)CC[n+]3c2cccc3","c1cc-2[n+](cc1)CC[n+]3c2cccc3","c1cc-2[n+](cc1)CC[n+]3c2cccc3",4,0,0,"NO","NO","Mantain","High Reliability","3283"]
[551,1098,"PHENANTHRENE","85-01-8","c1cc2c(cc1)c3c(cc2)cccc3","c1cc2c(cc1)c3c(cc2)cccc3","c1cc2c(cc1)c3c(cc2)cccc3","c1cc2c(cc1)c3c(cc2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[552,1092,"BENZO(F)QUINOLINE","85-02-9","c1cc2c(cc1)c3c(cc2)nccc3","c1cc2c(cc1)c3c(cc2)nccc3","c1cc2c(cc1)c3c(cc2)nccc3","c1cc2c(cc1)c3c(cc2)nccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[553,3505,"8-CHLOROTHEOPHYLLINE","85-18-7","Cn1c(n(c2c(c1=O)[nH]c(Cl)n2)C)=O","Cn1c(n(c2c(c1=O)[nH]c(Cl)n2)C)=O","Cn1c(n(c2c(c1=O)[nH]c(Cl)n2)C)=O","Cn1c(n(c2c(c1=O)[nH]c(Cl)n2)C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[554,3858,"FENAC","85-34-7","O=C(O)Cc1c(c(ccc1Cl)Cl)Cl","O=C(O)Cc1c(c(ccc1Cl)Cl)Cl","O=C(O)Cc1c(c(ccc1Cl)Cl)Cl","O=C(O)Cc1c(c(ccc1Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[555,null,"P-NITROSALICYLIC ACID","85-38-1","O=C(O)c1c(cc(cc1)[N+](=O)[O-])O","O=C(O)c1c(c(ccc1)[N+](=O)[O-])O","O=C(O)c1c(cc(cc1)[N+](=O)[O-])O","O=C(O)c1c(c(ccc1)[N+](=O)[O-])O",2,2,0,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[556,3867,"PHTHALIMIDE","85-41-6","O=C1c2c(C(N1)=O)cccc2","O=C1c2c(C(N1)=O)cccc2","O=C1c2c(C(N1)=O)cccc2","O=C1c2c(C(N1)=O)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[557,3855,"PHTHALIC ANHYDRIDE","85-44-9","O=C1c2c(C(O1)=O)cccc2","O=C1c2c(C(O1)=O)cccc2","O=C1c2c(C(O1)=O)cccc2","O=C1c2c(C(O1)=O)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[558,1259,"Benzoic acid, 2-(4-chlorobenzoyl)-","85-56-3","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Cl","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Cl","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Cl","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[559,1105,"Benzoic acid, 2-(4-hydroxybenzoyl)-","85-57-4","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)O","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)O","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)O","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[560,1634,"BUTYL BENZYL PHTHALATE","85-68-7","CCCCOC(=O)c1c(cccc1)C(=O)OCc2ccccc2","CCCCOC(=O)c1c(cccc1)C(=O)OCc2ccccc2","CCCCOC(=O)c1c(cccc1)C(=O)OCc2ccccc2","CCCCOC(=O)c1c(cccc1)C(=O)OCc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[561,1297,"3'-Methylphthalanilic Acid","85-72-3","Cc1cc(ccc1)NC(=O)c2c(cccc2)C(=O)O","Cc1cc(ccc1)NC(=O)c2c(cccc2)C(=O)O","Cc1cc(ccc1)NC(=O)c2c(cccc2)C(=O)O","Cc1cc(ccc1)NC(=O)c2c(cccc2)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[562,1471,"Phthalylsulfathiazole","85-73-4","O=C(O)c1c(cccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3sccn3","O=C(O)c1c(cccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3sccn3","O=C(O)c1c(cccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3sccn3","O=C(O)c1c(cccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3sccn3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[563,null,"2,7-NAPHTHALENEDISULFONIC ACID, 1-AMINO-","85-74-5","Nc1c2c(ccc1S(=O)(=O)O)ccc(S(=O)(=O)O)c2","Nc1c2c(c(cc1)S(=O)(=O)O)cc(S(=O)(=O)O)cc2","Nc1c2c(ccc1S(=O)(=O)O)ccc(S(=O)(=O)O)c2","Nc1c2c(c(cc1)S(=O)(=O)O)cc(S(=O)(=O)O)cc2",2,2,0,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[564,342,"1,6-NAPHTHALENEDISULFONIC ACID, 4-AMINO-","85-75-6","Nc1c2c(c(cc1)S(=O)(=O)O)ccc(S(=O)(=O)O)c2","Nc1c2c(c(cc1)S(=O)(=O)O)ccc(S(=O)(=O)O)c2","Nc1c2c(c(cc1)S(=O)(=O)O)ccc(S(=O)(=O)O)c2","Nc1c2c(c(cc1)S(=O)(=O)O)ccc(S(=O)(=O)O)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[565,1716,"DIBUCAINE","85-79-0","CCCCOc1nc2c(c(c1)C(=O)NCCN(CC)CC)cccc2","CCCCOc1nc2c(c(c1)C(=O)NCCN(CC)CC)cccc2","CCCCOc1nc2c(c(c1)C(=O)NCCN(CC)CC)cccc2","CCCCOc1nc2c(c(c1)C(=O)NCCN(CC)CC)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[566,1397,"2-Naphthalenamine, 1-(phenylazo)-","85-84-7","Nc1c(c2c(cc1)cccc2)N=Nc3ccccc3","Nc1c(c2c(cc1)cccc2)N=Nc3ccccc3",null,"Nc1c(c2c(cc1)cccc2)N=Nc3ccccc3",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[567,1114,"DIPHENYLACETONITRILE","86-29-3","N#CC(c1ccccc1)c2ccccc2","N#CC(c1ccccc1)c2ccccc2","N#CC(c1ccccc1)c2ccccc2","N#CC(c1ccccc1)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[568,541,"DIPHENYLNITROSAMINE","86-30-6","O=NN(c1ccccc1)c2ccccc2","O=NN(c1ccccc1)c2ccccc2","O=NN(c1ccccc1)c2ccccc2","O=NN(c1ccccc1)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[569,null,"METHYL AZINPHOS","86-50-0",null,"COP(=S)(OC)SCn1c(c2c(nn1)cccc2)=O",null,null,1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[570,519,"1-NAPTHOIC ACID","86-55-5",null,"O=C(O)c1c2c(ccc1)cccc2","O=C(O)c1c2c(ccc1)cccc2","O=C(O)c1c2c(ccc1)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[571,297,"1-NITRONAPHTHALENE","86-57-7","O=[N+]([O-])c1c2c(ccc1)cccc2","O=[N+]([O-])c1c2c(ccc1)cccc2","O=[N+]([O-])c1c2c(ccc1)cccc2","O=[N+]([O-])c1c2c(ccc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[572,293,"8-Quinolinecarboxylic acid","86-59-9","O=C(O)c1c2c(ccc1)cccn2","O=C(O)c1c2c(ccc1)cccn2","O=C(O)c1c2c(ccc1)cccn2","O=C(O)c1c2c(ccc1)cccn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[573,341,"2-NAPHTHYLAMINE-6,8-DISULFONIC ACID","86-65-7","Nc1cc2c(cc1)cc(S(=O)(=O)O)cc2S(=O)(=O)O",null,"Nc1cc2c(cc1)cc(S(=O)(=O)O)cc2S(=O)(=O)O","Nc1cc2c(cc1)cc(S(=O)(=O)O)cc2S(=O)(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[574,965,"9H-FLUORENE","86-73-7","c1cc2c(cc1)-c3c(C2)cccc3","c1cc2c(cc1)-c3c(C2)cccc3","c1cc2c(cc1)-c3c(C2)cccc3","c1cc2c(cc1)-c3c(C2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[575,949,"CARBAZOLE","86-74-8","c1cc2c(cc1)c3c([nH]2)cccc3","c1cc2c(cc1)c3c([nH]2)cccc3","c1cc2c(cc1)c3c([nH]2)cccc3","c1cc2c(cc1)c3c([nH]2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[576,81,"Benzaldehyde, 3,4,5-trimethoxy-","86-81-7","COc1c(c(cc(c1)C=O)OC)OC","COc1c(c(cc(c1)C=O)OC)OC","COc1c(c(cc(c1)C=O)OC)OC","COc1c(c(cc(c1)C=O)OC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[577,563,"1-Naphthaleneacetamide","86-86-2","NC(=O)Cc1c2c(ccc1)cccc2","NC(=O)Cc1c2c(ccc1)cccc2","NC(=O)Cc1c2c(ccc1)cccc2","NC(=O)Cc1c2c(ccc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[578,550,"NAPHTHALENEACETIC ACID","86-87-3","O=C(O)Cc1c2c(ccc1)cccc2","O=C(O)Cc1c2c(ccc1)cccc2","O=C(O)Cc1c2c(ccc1)cccc2","O=C(O)Cc1c2c(ccc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[579,null,"n-1-napthylthiourea","86-88-4",null,"NC(=S)Nc1c2c(ccc1)cccc2",null,"NC(=S)Nc1c2c(ccc1)cccc2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[580,null,"7-methylquinazoline-2,4-dione","86-96-4","Cc1cc2c(cc1)c(=O)[nH]c(=O)[nH]2","O=c1[nH]c2c(c([nH]1)=O)cccc2",null,"O=c1[nH]c2c(c([nH]1)=O)cccc2",2,1,1,"NO","NO","Manual Check","Verify Name"]
[581,1439,"HOMATROPIN","87-00-3","CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3","CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3","CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3","CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[582,990,"SALICYLANILIDE","87-17-2","O=C(Nc1ccccc1)c2c(cccc2)O","O=C(Nc1ccccc1)c2c(cccc2)O","O=C(Nc1ccccc1)c2c(cccc2)O","O=C(Nc1ccccc1)c2c(cccc2)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[583,655,"Benzoic acid, 2-hydroxy-, 3-methylbutyl ester","87-20-7","CC(C)CCOC(=O)c1c(cccc1)O","CC(C)CCOC(=O)c1c(cccc1)O","CC(C)CCOC(=O)c1c(cccc1)O","CC(C)CCOC(=O)c1c(cccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[584,4049,"Benzoic acid, 2-hydroxy-, 2-hydroxyethyl ester","87-28-5","O=C(OCCO)c1c(cccc1)O","O=C(OCCO)c1c(cccc1)O","O=C(OCCO)c1c(cccc1)O","O=C(OCCO)c1c(cccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[585,1015,"N-acetyl-DL-tryptophan","87-32-1","CC(=O)NC(Cc1c2c([nH]c1)cccc2)C(=O)O","CC(=O)NC(Cc1c2c([nH]c1)cccc2)C(=O)O",null,"CC(=O)NC(Cc1c2c([nH]c1)cccc2)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[586,3137,"D-GLUCITOL, 1,4:3,6-DIANHYDRO-, DINITRATE","87-33-2","O=[N+]([O-])OC1C2C(OC1)C(O[N+](=O)[O-])CO2","O=[N+]([O-])OC1C2C(OC1)C(O[N+](=O)[O-])CO2","O=[N+]([O-])OC1C2C(OC1)C(O[N+](=O)[O-])CO2","O=[N+]([O-])OC1C2C(OC1)C(O[N+](=O)[O-])CO2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[587,3391,"2,4,6-TRICHLOROANISOLE","87-40-1","COc1c(cc(cc1Cl)Cl)Cl","COc1c(cc(cc1Cl)Cl)Cl","COc1c(cc(cc1Cl)Cl)Cl","COc1c(cc(cc1Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[588,2589,"6-Chloropurine","87-42-3","Clc1c2c(ncn1)nc[nH]2","Clc1c2c(ncn1)nc[nH]2",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[589,1019,"PYROLAN","87-47-8","Cc1nn(c(c1)OC(=O)N(C)C)-c2ccccc2","Cc1nn(c(c1)OC(=O)N(C)C)-c2ccccc2","Cc1nn(c(c1)OC(=O)N(C)C)-c2ccccc2","Cc1nn(c(c1)OC(=O)N(C)C)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[590,335,"INDOLE-3-ACETIC ACID","87-51-4","O=C(O)Cc1c2c([nH]c1)cccc2","O=C(O)Cc1c2c([nH]c1)cccc2","O=C(O)Cc1c2c([nH]c1)cccc2","O=C(O)Cc1c2c([nH]c1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[591,2955,"1,2,3-TRICHLOROBENZENE","87-61-6","Clc1c(c(ccc1)Cl)Cl","Clc1c(c(ccc1)Cl)Cl","Clc1c(c(ccc1)Cl)Cl","Clc1c(c(ccc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability","3938"]
[592,3673,"2,6-DIMETHYLANILINE","87-62-7","Cc1c(c(ccc1)C)N","Cc1c(c(ccc1)C)N","Cc1c(c(ccc1)C)N","Cc1c(c(ccc1)C)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[593,3506,"2-METHYL-6-CHLOROPHENOL","87-64-9","Cc1c(c(ccc1)Cl)O","Cc1c(c(ccc1)Cl)O","Cc1c(c(ccc1)Cl)O","Cc1c(c(ccc1)Cl)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[594,2992,"2,6-DICHLOROPHENOL","87-65-0","Oc1c(cccc1Cl)Cl","Oc1c(cccc1Cl)Cl","Oc1c(cccc1Cl)Cl","Oc1c(cccc1Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[595,3094,"1,2,3-TRIHYDROXYBENZENE","87-66-1","Oc1c(c(ccc1)O)O","Oc1c(c(ccc1)O)O","Oc1c(c(ccc1)O)O","Oc1c(c(ccc1)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[596,2214,"HEXACHLOROBUTADIENE","87-68-3","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[597,2353,"TARTARIC ACID","87-69-4","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1513, 1609, 1610, 1713, 1993","Stereochemistry removed"]
[598,2837,"L-Sorbose","87-79-6","O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[599,2704,"HEXABROMOBENZENE","87-82-1","Brc1c(c(c(c(c1Br)Br)Br)Br)Br","Brc1c(c(c(c(c1Br)Br)Br)Br)Br","Brc1c(c(c(c(c1Br)Br)Br)Br)Br","Brc1c(c(c(c(c1Br)Br)Br)Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[600,665,"HEXAMETHYLBENZENE","87-85-4","Cc1c(c(c(c(c1C)C)C)C)C","Cc1c(c(c(c(c1C)C)C)C)C","Cc1c(c(c(c(c1C)C)C)C)C","Cc1c(c(c(c(c1C)C)C)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[601,3168,"PENTACHLOROPHENOL","87-86-5","Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[602,2931,"Chloranilic acid","87-88-7","O=C1C(=C(C(C(=C1O)Cl)=O)O)Cl","O=C1C(=C(C(C(=C1O)Cl)=O)O)Cl","O=C1C(=C(C(C(=C1O)Cl)=O)O)Cl","O=C1C(=C(C(C(=C1O)Cl)=O)O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[603,2835,"INOSITOL","87-89-8","OC1C(C(C(C(C1O)O)O)O)O","OC1C(C(C(C(C1O)O)O)O)O","OC1C(C(C(C(C1O)O)O)O)O","OC1C(C(C(C(C1O)O)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","1869","Stereochemistry removed"]
[604,2043,"1,3,5-TRICHLOROISOCYANURIC ACID","87-90-1","O=c1n(c(n(c(n1Cl)=O)Cl)=O)Cl","O=c1n(c(n(c(n1Cl)=O)Cl)=O)Cl","O=c1n(c(n(c(n1Cl)=O)Cl)=O)Cl","O=c1n(c(n(c(n1Cl)=O)Cl)=O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[605,2572,"Xylitol","87-99-0","OCC(O)C(O)C(O)CO","OCC(O)C(O)C(O)CO","OCC(O)C(O)C(O)CO","OCC(O)C(O)C(O)CO",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[606,3983,"4-CHLORO-3,5-DIMETHYL PHENOL","88-04-0","Cc1c(c(cc(c1)O)C)Cl","Cc1c(c(cc(c1)O)C)Cl","Cc1c(c(cc(c1)O)C)Cl","Cc1c(c(cc(c1)O)C)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[607,2958,"2,4,6-TRICHLOROPHENOL","88-06-2","Oc1c(cc(cc1Cl)Cl)Cl","Oc1c(cc(cc1Cl)Cl)Cl","Oc1c(cc(cc1Cl)Cl)Cl","Oc1c(cc(cc1Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[608,2814,"2-ETHYLBUTYRIC ACID","88-09-5","CCC(CC)C(=O)O","CCC(CC)C(=O)O","CCC(CC)C(=O)O","CCC(CC)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[609,2609,"THIOPHENE-3-CARBOXYLIC ACID","88-13-1","O=C(O)c1cscc1","O=C(O)c1cscc1","O=C(O)c1cscc1","O=C(O)c1cscc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[610,2611,"2-FURANCARBOXYLIC ACID","88-14-2","O=C(O)c1occc1","O=C(O)c1occc1","O=C(O)c1occc1","O=C(O)c1occc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[611,3097,"2-ACETYLTHIOPHENE","88-15-3","CC(=O)c1sccc1","CC(=O)c1sccc1","CC(=O)c1sccc1","CC(=O)c1sccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[612,133,"o-t-butylphenol","88-18-6","CC(C)(C)Oc1ccccc1","CC(C)(C)c1c(cccc1)O","CC(C)(C)c1c(cccc1)O","CC(C)(C)c1c(cccc1)O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[613,3610,"O-METHYLBENZENESULFONAMIDE","88-19-7","Cc1c(cccc1)S(N)(=O)=O","Cc1c(cccc1)S(N)(=O)=O","Cc1c(cccc1)S(N)(=O)=O","Cc1c(cccc1)S(N)(=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[614,3369,"3-TRIFLUOROMETHYL-4-NITROPHENOL","88-30-2","O=[N+]([O-])c1c(cc(cc1)O)C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)O)C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)O)C(F)(F)F",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[615,3613,"2-Amino-5-methylbenzenesulfonic acid","88-44-8","Cc1cc(c(cc1)N)S(=O)(=O)O","Cc1cc(c(cc1)N)S(=O)(=O)O","Cc1cc(c(cc1)N)S(=O)(=O)O","Cc1cc(c(cc1)N)S(=O)(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[616,3384,"o-bromobenzoicacid","88-65-3","O=C(OBr)c1ccccc1","O=C(O)c1c(cccc1)Br","O=C(O)c1c(cccc1)Br","O=C(O)c1c(cccc1)Br",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[617,3407,"2-IODOBENZOIC ACID","88-67-5","O=C(O)c1c(cccc1)I","O=C(O)c1c(cccc1)I","O=C(O)c1c(cccc1)I","O=C(O)c1c(cccc1)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[618,3528,"2-NITROTOLUENE","88-72-2","Cc1c(cccc1)[N+](=O)[O-]","Cc1c(cccc1)[N+](=O)[O-]","Cc1c(cccc1)[N+](=O)[O-]","Cc1c(cccc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[619,3004,"2-CHLORO-1-NITROBENZENE","88-73-3","O=[N+]([O-])c1c(cccc1)Cl","O=[N+]([O-])c1c(cccc1)Cl","O=[N+]([O-])c1c(cccc1)Cl","O=[N+]([O-])c1c(cccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[620,3075,"2-NITROANILINE","88-74-4","Nc1c(cccc1)[N+](=O)[O-]","Nc1c(cccc1)[N+](=O)[O-]","Nc1c(cccc1)[N+](=O)[O-]","Nc1c(cccc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[621,3062,"2-NITROPHENOL","88-75-5","O=[N+]([O-])c1c(cccc1)O","O=[N+]([O-])c1c(cccc1)O","O=[N+]([O-])c1c(cccc1)O","O=[N+]([O-])c1c(cccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[622,62,"DINOSEB","88-85-7","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[623,2941,"2,4,6-TRINITROCHLOROBENZENE","88-88-0","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[624,2969,"2,4,6-TRINITROPHENOL","88-89-1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[625,3939,"1,2-BENZENEDICARBOXAMIDE","88-96-0","NC(=O)c1c(cccc1)C(N)=O","NC(=O)c1c(cccc1)C(N)=O","NC(=O)c1c(cccc1)C(N)=O","NC(=O)c1c(cccc1)C(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[626,3900,"O-PHTHALIC ACID","88-99-3","O=C(O)c1c(cccc1)C(=O)O","O=C(O)c1c(cccc1)C(=O)O","O=C(O)c1c(cccc1)C(=O)O","O=C(O)c1c(cccc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","2728"]
[627,3424,"QUINOLINIC ACID","89-00-9","O=C(O)c1c(nccc1)C(=O)O","O=C(O)c1c(nccc1)C(=O)O","O=C(O)c1c(nccc1)C(=O)O","O=C(O)c1c(nccc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[628,282,"PYROMELLITIC ACID","89-05-4","O=C(O)c1c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O","O=C(O)c1c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O","O=C(O)c1c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O","O=C(O)c1c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[629,1887,"PTEROPTERIN","89-38-3","Nc1[nH]c2c(c(n1)=O)nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cn2","Nc1[nH]c2c(c(n1)=O)nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cn2","Nc1[nH]c2c(c(n1)=O)nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cn2",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[630,4001,"Benzene, 1,4-dimethoxy-2-nitro-","89-39-4","COc1cc(c(cc1)OC)[N+](=O)[O-]","COc1cc(c(cc1)OC)[N+](=O)[O-]","COc1cc(c(cc1)OC)[N+](=O)[O-]","COc1cc(c(cc1)OC)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[631,4290,"Benzeneacetic acid, 2-carboxy-","89-51-0","O=C(O)Cc1c(cccc1)C(=O)O","O=C(O)Cc1c(cccc1)C(=O)O","O=C(O)Cc1c(cccc1)C(=O)O","O=C(O)Cc1c(cccc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[632,3964,"5-METHYLSALICYLIC ACID","89-56-5","Cc1cc(c(cc1)O)C(=O)O","Cc1cc(c(cc1)O)C(=O)O","Cc1cc(c(cc1)O)C(=O)O","Cc1cc(c(cc1)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[633,2949,"2,5-DICHLORONITROBENZENE","89-61-2","O=[N+]([O-])c1c(ccc(c1)Cl)Cl","O=[N+]([O-])c1c(ccc(c1)Cl)Cl","O=[N+]([O-])c1c(ccc(c1)Cl)Cl","O=[N+]([O-])c1c(ccc(c1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[634,3040,"4-CHLORO-2-NITROANILINE","89-63-4","Nc1c(cc(cc1)Cl)[N+](=O)[O-]","Nc1c(cc(cc1)Cl)[N+](=O)[O-]","Nc1c(cc(cc1)Cl)[N+](=O)[O-]","Nc1c(cc(cc1)Cl)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[635,3005,"4-CHLORO-2-NITROPHENOL","89-64-5","O=[N+]([O-])c1c(ccc(c1)Cl)O","O=[N+]([O-])c1c(ccc(c1)Cl)O","O=[N+]([O-])c1c(ccc(c1)Cl)O","O=[N+]([O-])c1c(ccc(c1)Cl)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[636,3147,"ISOASCORBIC ACID","89-65-6","O=C1C(OC(=C1O)O)C(O)CO","O=C1C(C(C(O1)C(O)CO)=O)O","O=C1C(=C(C(O1)C(O)CO)O)O","O=C1C(=C(C(O1)C(O)CO)O)O",4,0,0,"NO","NO","Mantain","High Reliability","33","Stereochemistry removed, Differences in counterions"]
[637,3228,"D-glycero-D-gulo-heptonic acid, .gamma.-lactone","89-67-8","O=C1C(C(C(O1)C(O)C(O)CO)O)O","O=C1C(C(C(O1)C(O)C(O)CO)O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[638,91,"chlorothymol","89-68-9","Cc1c(c(c(cc1)C(C)C)O)Cl","Cc1c(cc(c(c1)O)C(C)C)Cl","Cc1c(cc(c(c1)O)C(C)C)Cl","Cc1c(cc(c(c1)O)C(C)C)Cl",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[639,2934,"2,4,5-TRICHLORONITROBENZENE","89-69-0","O=[N+]([O-])c1c(cc(c(c1)Cl)Cl)Cl","O=[N+]([O-])c1c(cc(c(c1)Cl)Cl)Cl","O=[N+]([O-])c1c(cc(c(c1)Cl)Cl)Cl","O=[N+]([O-])c1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[640,224,"MENTHOL","89-78-1","CC1CC(C(CC1)C(C)C)O","CC1CC(C(CC1)C(C)C)O","CC1CC(C(CC1)C(C)C)O","CC1CC(C(CC1)C(C)C)O",4,0,0,"NO","NO","Mantain","High Reliability","2915, 3131","Stereochemistry removed"]
[641,null,"5-methyl-2-(1-methylethyl)-cyclohexanone(tr*)","89-80-5",null,"CC1CC(C(CC1)C(C)C)=O",null,"CC1CC(C(CC1)C(C)C)=O",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[642,136,"THYMOL","89-83-8","Cc1cc(c(cc1)C(C)C)O","Cc1cc(c(cc1)C(C)C)O","Cc1cc(c(cc1)C(C)C)O","Cc1cc(c(cc1)C(C)C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[643,3484,"2,4-DIHYDROXYBENZOIC ACID","89-86-1","O=C(O)c1c(cc(cc1)O)O","O=C(O)c1c(cc(cc1)O)O","O=C(O)c1c(cc(cc1)O)O","O=C(O)c1c(cc(cc1)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[644,3638,"o-ethylphenol","90-00-6","CCOc1ccccc1","CCc1c(cccc1)O","CCc1c(cccc1)O","CCc1c(cccc1)O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[645,3573,"O-HYDROXYBENZYL ALCOHOL","90-01-7","OCc1c(cccc1)O","OCc1c(cccc1)O","OCc1c(cccc1)O","OCc1c(cccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[646,3476,"O-HYDROXYBENZALDEHYDE","90-02-8","O=Cc1c(cccc1)O","O=Cc1c(cccc1)O","O=Cc1c(cccc1)O","O=Cc1c(cccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[647,3607,"2-METHOXYANILINE","90-04-0","COc1c(cccc1)N","COc1c(cccc1)N","COc1c(cccc1)N","COc1c(cccc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[648,3570,"2-METHOXYPHENOL","90-05-1","COc1c(cccc1)O","COc1c(cccc1)O","COc1c(cccc1)O","COc1c(cccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[649,284,"1-BROMONAPHTHALENE","90-11-9","Brc1c2c(ccc1)cccc2","Brc1c2c(ccc1)cccc2","Brc1c2c(ccc1)cccc2","Brc1c2c(ccc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[650,345,"1-METHYLNAPHTHALENE","90-12-0","Cc1c2c(ccc1)cccc2","Cc1c2c(ccc1)cccc2","Cc1c2c(ccc1)cccc2","Cc1c2c(ccc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[651,287,"1-CHLORONAPHTHALENE","90-13-1","Clc1c2c(ccc1)cccc2","Clc1c2c(ccc1)cccc2","Clc1c2c(ccc1)cccc2","Clc1c2c(ccc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[652,289,"1-IODONAPHTHALENE","90-14-2","Ic1c2c(ccc1)cccc2","Ic1c2c(ccc1)cccc2","Ic1c2c(ccc1)cccc2","Ic1c2c(ccc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[653,310,"1-NAPHTHOL","90-15-3","Oc1c2c(ccc1)cccc2","Oc1c2c(ccc1)cccc2","Oc1c2c(ccc1)cccc2","Oc1c2c(ccc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[654,1396,"1-NAPHTHALENAMINE, N-PHENYL-","90-30-2","c1ccc(cc1)Nc2c3c(ccc2)cccc3","c1ccc(cc1)Nc2c3c(ccc2)cccc3","c1ccc(cc1)Nc2c3c(ccc2)cccc3","c1ccc(cc1)Nc2c3c(ccc2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[655,null,"L-SPARTEINE","90-39-1","C1CC2N(CC1)CC3C4N(CC2C3)CCCC4","C1CC2N(CC1)CC3C4N(CC2C3)CCCC4","C1CC2N(CC1)CC3C4N(C(C3)C2)CCCC4","C1CC2N(CC1)CC3C4N(C(C3)C2)CCCC4",2,2,0,"YES","NO","Eliminate","-",null,"Stereochemistry removed, Missing/ambiguous"]
[656,547,"2-PHENYLPHENOL","90-43-7","Oc1c(cccc1)-c2ccccc2","Oc1c(cccc1)-c2ccccc2","Oc1c(cccc1)-c2ccccc2","Oc1c(cccc1)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[657,3967,"A-HYDROXYPHENYLACETIC ACID","90-64-2",null,"O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability","2415, 2416, 4147"]
[658,3660,"PENICILLIC ACID","90-65-3","C=C(C)C(=O)C(=CC(=O)O)OC",null,"C=C(C)C(=O)C(=CC(=O)O)OC","C=C(C)C(=O)C(=CC(=O)O)OC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[659,2744,"D-Gluconic acid, .delta.-lactone","90-80-2","O=C1C(C(C(C(O1)CO)O)O)O","O=C1C(C(C(C(O1)CO)O)O)O","O=C1C(C(C(C(O1)CO)O)O)O","O=C1C(C(C(C(O1)CO)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[660,null,"4,4-bis(dimethylamino)benzophenone","90-94-8","CN(C)C1(CC=C(C=C1)C(=O)c2ccccc2)N(C)C","CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C",null,"CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C",2,1,1,"NO","NO","Manual Check","Verify Name"]
[661,1003,"BENZHYDROL","91-01-0","OC(c1ccccc1)c2ccccc2","OC(c1ccccc1)c2ccccc2","OC(c1ccccc1)c2ccccc2","OC(c1ccccc1)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[662,3658,"2,6-Dimethoxyphenol","91-10-1","COc1c(c(ccc1)OC)O","COc1c(c(ccc1)OC)O","COc1c(c(ccc1)OC)O","COc1c(c(ccc1)OC)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[663,3853,"1,2-DICYANOBENZENE","91-15-6","N#Cc1c(cccc1)C#N","N#Cc1c(cccc1)C#N","N#Cc1c(cccc1)C#N","N#Cc1c(cccc1)C#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[664,179,"DECAHYDRONAPHTHALENE","91-17-8","C1CC2C(CC1)CCCC2","C1CC2C(CC1)CCCC2","C1CC2C(CC1)CCCC2","C1CC2C(CC1)CCCC2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[665,3026,"PTERIDINE","91-18-9","c1nc2c(nc1)ncnc2","c1nc2c(nc1)ncnc2","c1nc2c(nc1)ncnc2","c1nc2c(nc1)ncnc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[666,3882,"QUINOXALINE","91-19-0","c1cc2c(cc1)nccn2","c1cc2c(cc1)nccn2","c1cc2c(cc1)nccn2","c1cc2c(cc1)nccn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[667,300,"NAPHTHALENE","91-20-3","c1cc2c(cc1)cccc2","c1cc2c(cc1)cccc2","c1cc2c(cc1)cccc2","c1cc2c(cc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[668,4250,"QUINOLINE","91-22-5","c1cc2c(cc1)nccc2","c1cc2c(cc1)nccc2","c1cc2c(cc1)nccc2","c1cc2c(cc1)nccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[669,3536,"2-NITROANISOLE","91-23-6","COc1c(cccc1)[N+](=O)[O-]","COc1c(cccc1)[N+](=O)[O-]","COc1c(cccc1)[N+](=O)[O-]","COc1c(cccc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[670,346,"2-METHYLNAPHTHALENE","91-57-6","Cc1cc2c(cc1)cccc2","Cc1cc2c(cc1)cccc2","Cc1cc2c(cc1)cccc2","Cc1cc2c(cc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[671,286,"2-CHLORONAPHTHALENE","91-58-7","Clc1cc2c(cc1)cccc2","Clc1cc2c(cc1)cccc2","Clc1cc2c(cc1)cccc2","Clc1cc2c(cc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[672,330,"2-NAPHTHYLAMINE","91-59-8","Nc1cc2c(cc1)cccc2","Nc1cc2c(cc1)cccc2","Nc1cc2c(cc1)cccc2","Nc1cc2c(cc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[673,4236,"COUMARIN","91-64-5","O=c1oc2c(cc1)cccc2","O=c1oc2c(cc1)cccc2","O=c1oc2c(cc1)cccc2","O=c1oc2c(cc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[674,143,"N,N-DIETHYLANILINE","91-66-7","CCN(CC)c1ccccc1","CCN(CC)c1ccccc1","CCN(CC)c1ccccc1","CCN(CC)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[675,1488,"Antazoline","91-75-8","c1ccc(cc1)CN(CC=2NCCN2)c3ccccc3","c1ccc(cc1)CN(CC=2NCCN2)c3ccccc3","c1ccc(cc1)CN(CC=2NCCN2)c3ccccc3","c1ccc(cc1)CN(CC=2NCCN2)c3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[676,4313,"BENZOGUANAMINE","91-76-9","Nc1nc(nc(n1)N)-c2ccccc2","Nc1nc(nc(n1)N)-c2ccccc2","Nc1nc(nc(n1)N)-c2ccccc2","Nc1nc(nc(n1)N)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[677,1194,"THENYLDIAMINE","91-79-2","CN(C)CCN(Cc1cscc1)c2ncccc2","CN(C)CCN(Cc1cscc1)c2ncccc2","CN(C)CCN(Cc1cscc1)c2ncccc2","CN(C)CCN(Cc1cscc1)c2ncccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[678,1195,"METHAPYRILENE","91-80-5","CN(C)CCN(Cc1sccc1)c2ncccc2","CN(C)CCN(Cc1sccc1)c2ncccc2","CN(C)CCN(Cc1sccc1)c2ncccc2","CN(C)CCN(Cc1sccc1)c2ncccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[679,1437,"Tripelennamine","91-81-6","CN(C)CCN(Cc1ccccc1)c2ncccc2","CN(C)CCN(Cc1ccccc1)c2ncccc2","CN(C)CCN(Cc1ccccc1)c2ncccc2","CN(C)CCN(Cc1ccccc1)c2ncccc2",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[680,534,"3,3'-DICHLOROBENZIDINE","91-94-1","Nc1c(cc(cc1)-c2cc(c(cc2)N)Cl)Cl","Nc1c(cc(cc1)-c2cc(c(cc2)N)Cl)Cl","Nc1c(cc(cc1)-c2cc(c(cc2)N)Cl)Cl","Nc1c(cc(cc1)-c2cc(c(cc2)N)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[681,548,"4-PHENYLCATECHOL","92-05-7","Oc1c(cc(cc1)-c2ccccc2)O","Oc1c(cc(cc1)-c2ccccc2)O","Oc1c(cc(cc1)-c2ccccc2)O","Oc1c(cc(cc1)-c2ccccc2)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[682,1544,"m-TERPHENYL","92-06-8","c1ccc(cc1)-c2cc(ccc2)-c3ccccc3","c1ccc(cc1)-c2cc(ccc2)-c3ccccc3","c1ccc(cc1)-c2cc(ccc2)-c3ccccc3","c1ccc(cc1)-c2cc(ccc2)-c3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[683,1534,"TETRACENE","92-24-0","c1cc2c(cc1)cc3c(cc4c(c3)cccc4)c2","c1cc2c(cc1)cc3c(cc4c(c3)cccc4)c2","c1cc2c(cc1)cc3c(cc4c(c3)cccc4)c2","c1cc2c(cc1)cc3c(cc4c(c3)cccc4)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[684,1318,"Tolonium Chloride","92-31-9","Cc1c(cc2c(c1)nc3c(cc(cc3)N(C)C)[s+]2)N","Cc1c(cc2c(c1)nc3c(cc(cc3)N(C)C)[s+]2)N","Cc1c(cc2c(c1)nc3c(cc(cc3)N(C)C)[s+]2)N","Cc1c(cc2c(c1)nc3c(cc(cc3)N(C)C)[s+]2)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[685,315,"2,3-NAPHTHALENEDIOL","92-44-4","Oc1c(cc2c(c1)cccc2)O","Oc1c(cc2c(c1)cccc2)O","Oc1c(cc2c(c1)cccc2)O","Oc1c(cc2c(c1)cccc2)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[686,146,"ETHANOL, 2-(ETHYLPHENYLAMINO)-","92-50-2","CCN(CCO)c1ccccc1","CCN(CCO)c1ccccc1","CCN(CCO)c1ccccc1","CCN(CCO)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[687,531,"BIPHENYL","92-52-4","c1ccc(cc1)-c2ccccc2","c1ccc(cc1)-c2ccccc2","c1ccc(cc1)-c2ccccc2","c1ccc(cc1)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[688,985,"3,6-DIAMINOACRIDINE","92-62-6","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2",4,0,0,"NO","NO","Mantain","High Reliability","2772"]
[689,937,"4-BROMOBIPHENYL","92-66-0","Brc1ccc(cc1)-c2ccccc2","Brc1ccc(cc1)-c2ccccc2","Brc1ccc(cc1)-c2ccccc2","Brc1ccc(cc1)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[690,546,"P-PHENYLPHENOL","92-69-3","Oc1ccc(cc1)-c2ccccc2","Oc1ccc(cc1)-c2ccccc2","Oc1ccc(cc1)-c2ccccc2","Oc1ccc(cc1)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[691,959,"PHENOTHIAZINE","92-84-2","c1cc2c(cc1)Sc3c(N2)cccc3","c1cc2c(cc1)Sc3c(N2)cccc3","c1cc2c(cc1)Sc3c(N2)cccc3","c1cc2c(cc1)Sc3c(N2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[692,578,"BENZIDINE","92-87-5","Nc1ccc(cc1)-c2ccc(cc2)N","Nc1ccc(cc1)-c2ccc(cc2)N","Nc1ccc(cc1)-c2ccc(cc2)N","Nc1ccc(cc1)-c2ccc(cc2)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[693,1128,"4-ACETYLBIPHENYL","92-91-1","CC(=O)c1ccc(cc1)-c2ccccc2","CC(=O)c1ccc(cc1)-c2ccccc2","CC(=O)c1ccc(cc1)-c2ccccc2","CC(=O)c1ccc(cc1)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[694,955,"P-NITROBIPHENYL","92-93-3","O=[N+]([O-])c1ccc(cc1)-c2ccccc2","O=[N+]([O-])c1ccc(cc1)-c2ccccc2","O=[N+]([O-])c1ccc(cc1)-c2ccccc2","O=[N+]([O-])c1ccc(cc1)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[695,1543,"1,1':4',1''-TERPHENYL","92-94-4","c1ccc(cc1)-c2ccc(cc2)-c3ccccc3","c1ccc(cc1)-c2ccc(cc2)-c3ccccc3","c1ccc(cc1)-c2ccc(cc2)-c3ccccc3","c1ccc(cc1)-c2ccc(cc2)-c3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[696,4036,"Benzaldehyde, 2,5-dimethoxy-","93-02-7","COc1cc(c(cc1)OC)C=O","COc1cc(c(cc1)OC)C=O","COc1cc(c(cc1)OC)C=O","COc1cc(c(cc1)OC)C=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[697,4048,"3,4-DIMETHOXYBENZOIC ACID","93-07-2","COc1c(cc(cc1)C(=O)O)OC","COc1c(cc(cc1)C(=O)O)OC","COc1c(cc(cc1)C(=O)O)OC","COc1c(cc(cc1)C(=O)O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[698,545,"1-(2-NAPHTHALENYL)ETHANONE","93-08-3","CC(=O)c1cc2c(cc1)cccc2","CC(=O)c1cc2c(cc1)cccc2","CC(=O)c1cc2c(cc1)cccc2","CC(=O)c1cc2c(cc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[699,518,"2-NAPHTHOIC ACID","93-09-4","O=C(O)c1cc2c(cc1)cccc2","O=C(O)c1cc2c(cc1)cccc2","O=C(O)c1cc2c(cc1)cccc2","O=C(O)c1cc2c(cc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[700,294,"2-Quinolinecarboxylic acid","93-10-7","O=C(O)c1nc2c(cc1)cccc2","O=C(O)c1nc2c(cc1)cccc2","O=C(O)c1nc2c(cc1)cccc2","O=C(O)c1nc2c(cc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[701,142,"1,2-Propanediol, 3-(2-methoxyphenoxy)-","93-14-1","COc1c(cccc1)OCC(O)CO","COc1c(cccc1)OCC(O)CO","COc1c(cccc1)OCC(O)CO","COc1c(cccc1)OCC(O)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[702,419,"METHYLEUGENOL","93-15-2","C=CCc1cc(c(cc1)OC)OC","C=CCc1cc(c(cc1)OC)OC","C=CCc1cc(c(cc1)OC)OC","C=CCc1cc(c(cc1)OC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[703,361,"Quinoline, 2,7-dimethyl-","93-37-8","Cc1cc2c(cc1)ccc(C)n2","Cc1cc2c(cc1)ccc(C)n2","Cc1cc2c(cc1)ccc(C)n2","Cc1cc2c(cc1)ccc(C)n2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[704,4024,"PROPIOPHENONE","93-55-0","CCC(=O)c1ccccc1","CCC(=O)c1ccccc1","CCC(=O)c1ccccc1","CCC(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[705,3951,"BENZOIC ACID, METHYL ESTER","93-58-3","COC(=O)c1ccccc1","COC(=O)c1ccccc1","COC(=O)c1ccccc1","COC(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[706,null,"NICOTINIC ACID, METHYL ESTER","93-60-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Organic counterion, Missing/ambiguous"]
[707,26,"MECOPROP","93-65-2","Cc1c(ccc(c1)Cl)OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","3814, 4103"]
[708,3693,"2-CHLORO-N,N-DIALLYLACETAMIDE","93-71-0","C=CCN(CC=C)C(=O)CCl","C=CCN(CC=C)C(=O)CCl","C=CCN(CC=C)C(=O)CCl","C=CCN(CC=C)C(=O)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[709,4244,"SILVEX","93-72-1","CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O","CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O","CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O","CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[710,3861,"2,4,5-TRICHLOROPHENOXYACETIC ACID","93-76-5","O=C(O)COc1c(cc(c(c1)Cl)Cl)Cl","O=C(O)COc1c(cc(c(c1)Cl)Cl)Cl","O=C(O)COc1c(cc(c(c1)Cl)Cl)Cl","O=C(O)COc1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[711,326,"2,4,5-TB","93-80-1","O=C(O)CCCOc1c(cc(c(c1)Cl)Cl)Cl","O=C(O)CCCOc1c(cc(c(c1)Cl)Cl)Cl","O=C(O)CCCOc1c(cc(c(c1)Cl)Cl)Cl","O=C(O)CCCOc1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[712,null,"BENZENEETHANAMINE, N,b-DIMETHYL-","93-88-9",null,"CNCC(C)c1ccccc1",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[713,4028,"ETHYL BENZOATE","93-89-0","CCOC(=O)c1ccccc1","CCOC(=O)c1ccccc1","CCOC(=O)c1ccccc1","CCOC(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[714,15,"1,3-Butanedione, 1-phenyl-","93-91-4","CC(=O)CC(=O)c1ccccc1","CC(=O)CC(=O)c1ccccc1","CC(=O)CC(=O)c1ccccc1","CC(=O)CC(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[715,1103,"BENZOIC ACID, ANHYDRIDE","93-97-0","O=C(OC(=O)c1ccccc1)c2ccccc2","O=C(OC(=O)c1ccccc1)c2ccccc2","O=C(OC(=O)c1ccccc1)c2ccccc2","O=C(OC(=O)c1ccccc1)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[716,4067,"P-AMINOBENZOIC ACID, ETHYL ESTER","94-09-7","CCOC(=O)c1ccc(cc1)N","CCOC(=O)c1ccc(cc1)N","CCOC(=O)c1ccc(cc1)N","CCOC(=O)c1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[717,371,"2,4-D, ISOPROPYL ESTER","94-11-1","CC(C)OC(=O)COc1c(cc(cc1)Cl)Cl","CC(C)OC(=O)COc1c(cc(cc1)Cl)Cl","CC(C)OC(=O)COc1c(cc(cc1)Cl)Cl","CC(C)OC(=O)COc1c(cc(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[718,97,"PROPYL-P-AMINOBENZOATE","94-12-2","CCCOC(=O)c1ccc(cc1)N","CCCOC(=O)c1ccc(cc1)N",null,"CCCOC(=O)c1ccc(cc1)N",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[719,77,"p-hydroxypropylbenzoate","94-13-3",null,"CCCOC(=O)c1ccc(cc1)O",null,"CCCOC(=O)c1ccc(cc1)O",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[720,434,"Benzoic acid, 4-amino-, 2-methylpropyl ester","94-14-4","CC(C)COC(=O)c1ccc(cc1)N","CC(C)COC(=O)c1ccc(cc1)N","CC(C)COC(=O)c1ccc(cc1)N","CC(C)COC(=O)c1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[721,null,"ethazole","94-19-9","CCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","CCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","CCOc1snc(n1)C(Cl)(Cl)Cl","CCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",3,1,0,"NO","NO","Manual Check","Verify Name"]
[722,89,"CHLORPROPAMIDE","94-20-2","CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl","CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl","CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl","CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[723,1367,"Parethoxycaine","94-23-5","CCOc1ccc(cc1)C(=O)OCCN(CC)CC","CCOc1ccc(cc1)C(=O)OCCN(CC)CC","CCOc1ccc(cc1)C(=O)OCCN(CC)CC","CCOc1ccc(cc1)C(=O)OCCN(CC)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[724,null,"butyl-p-aminobenzoate","94-25-7",null,"CCCCOC(=O)c1ccc(cc1)N",null,"CCCCOC(=O)c1ccc(cc1)N",2,0,2,"NO","NO","Manual Check","Verify Name"]
[725,421,"p-hydroxybutylbenzoate","94-26-8",null,"CCCCOC(=O)c1ccc(cc1)O",null,"CCCCOC(=O)c1ccc(cc1)O",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[726,1107,"BENZOYL PEROXIDE","94-36-0","O=C(OOC(=O)c1ccccc1)c2ccccc2","O=C(OOC(=O)c1ccccc1)c2ccccc2","O=C(OOC(=O)c1ccccc1)c2ccccc2","O=C(OOC(=O)c1ccccc1)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[727,1493,"1-PIPEROYL-(E,E)-PIPERIDINE","94-62-2","O=C(C=CC=Cc1cc2c(cc1)OCO2)N3CCCCC3","O=C(C=CC=Cc1cc2c(cc1)OCO2)N3CCCCC3",null,"O=C(C=CC=Cc1cc2c(cc1)OCO2)N3CCCCC3",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[728,3553,"Pralidoxime iodide [USAN:INN:JAN]","94-63-3","CN1C=CC=CC1=C[NH+]=O","CN1C=CC=CC1=C[NH+]=O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[729,4302,"2-METHYL-4-CHLOROPHENOXYACETIC ACID","94-74-6","Cc1c(ccc(c1)Cl)OCC(=O)O","Cc1c(ccc(c1)Cl)OCC(=O)O","Cc1c(ccc(c1)Cl)OCC(=O)O","Cc1c(ccc(c1)Cl)OCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[730,3875,"2,4-DICHLOROPHENOXYACETIC ACID","94-75-7","O=C(O)COc1c(cc(cc1)Cl)Cl","O=C(O)COc1c(cc(cc1)Cl)Cl","O=C(O)COc1c(cc(cc1)Cl)Cl","O=C(O)COc1c(cc(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[731,null,"1,3-Benzenediol, 4-(2-phenylethyl)-","94-77-9","Oc1cc(c(cc1)CCc2ccccc2)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[732,null,"2,4-d,butylester","94-80-4",null,"CCCCOC(=O)COc1c(cc(cc1)Cl)Cl",null,"CCCCOC(=O)COc1c(cc(cc1)Cl)Cl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[733,390,"MCPB","94-81-5","Cc1c(ccc(c1)Cl)OCCCC(=O)O","Cc1c(ccc(c1)Cl)OCCCC(=O)O","Cc1c(ccc(c1)Cl)OCCCC(=O)O","Cc1c(ccc(c1)Cl)OCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[734,7,"2,4-DB","94-82-6","O=C(O)CCCOc1c(cc(cc1)Cl)Cl","O=C(O)CCCOc1c(cc(cc1)Cl)Cl","O=C(O)CCCOc1c(cc(cc1)Cl)Cl","O=C(O)CCCOc1c(cc(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[735,1283,"2,4-DEB","94-83-7","O=C(OCCOc1c(cc(cc1)Cl)Cl)c2ccccc2","O=C(OCCOc1c(cc(cc1)Cl)Cl)c2ccccc2",null,"O=C(OCCOc1c(cc(cc1)Cl)Cl)c2ccccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[736,3818,"2-ETHYL-1,3-HEXANDIOL","94-96-2","CCCC(O)C(CC)CO","CCCC(O)C(CC)CO","CCCC(O)C(CC)CO","CCCC(O)C(CC)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[737,3713,"SULFALLATE","95-06-7","C=C(Cl)CSC(=S)N(CC)CC","C=C(Cl)CSC(=S)N(CC)CC","C=C(Cl)CSC(=S)N(CC)CC","C=C(Cl)CSC(=S)N(CC)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[738,1592,"triethyleneglycolbis(2-ethylbutyrate)","95-08-9","OCCOCCOCCO","CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC","CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC","CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[739,3050,"1H-BENZOTRIAZOLE","95-14-7","c1cc2c(cc1)[nH]nn2","c1cc2c(cc1)n[nH]n2","c1cc2c(cc1)[nH]nn2","c1cc2c(cc1)[nH]nn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[740,3904,"BENZO(B)THIOPHENE","95-15-8","c1cc2c(cc1)scc2","c1cc2c(cc1)scc2","c1cc2c(cc1)scc2","c1cc2c(cc1)scc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[741,3431,"BENZOTHIAZOLE","95-16-9","c1cc2c(cc1)scn2","c1cc2c(cc1)scn2","c1cc2c(cc1)scn2","c1cc2c(cc1)scn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[742,2393,"dimethylglyoxime","95-45-4","CON=C(C)C=NO","CC(N=O)=C(C)NO",null,"CC(=NO)C(C)=NO",2,1,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed, Name verified in PubChem"]
[743,3620,"O-XYLENE","95-47-6","Cc1c(cccc1)C","Cc1c(cccc1)C","Cc1c(cccc1)C","Cc1c(cccc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[744,3564,"O-CRESOL","95-48-7","Cc1c(cccc1)O","Cc1c(cccc1)O","Cc1c(cccc1)O","Cc1c(cccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[745,3500,"2-CHLOROTOLUENE","95-49-8","Cc1c(cccc1)Cl","Cc1c(cccc1)Cl","Cc1c(cccc1)Cl","Cc1c(cccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[746,2986,"1,2-DICHLOROBENZENE","95-50-1","Clc1c(cccc1)Cl","Clc1c(cccc1)Cl","Clc1c(cccc1)Cl","Clc1c(cccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[747,3069,"2-CHLOROANILINE","95-51-2","Nc1c(cccc1)Cl","Nc1c(cccc1)Cl","Nc1c(cccc1)Cl","Nc1c(cccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[748,3591,"O-TOLUIDINE","95-53-4","Cc1c(cccc1)N","Cc1c(cccc1)N","Cc1c(cccc1)N","Cc1c(cccc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[749,3127,"1,2-BENZENEDIAMINE","95-54-5","Nc1c(cccc1)N","Nc1c(cccc1)N","Nc1c(cccc1)N","Nc1c(cccc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[750,3113,"o-aminophenol","95-55-6","NOc1ccccc1","Nc1c(cccc1)O","Nc1c(cccc1)O","Nc1c(cccc1)O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[751,3043,"2-CHLOROPHENOL","95-57-8","Oc1c(cccc1)Cl","Oc1c(cccc1)Cl","Oc1c(cccc1)Cl","Oc1c(cccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability","4381"]
[752,4083,"1,2,4-TRIMETHYLBENZENE","95-63-6","Cc1cc(c(cc1)C)C","Cc1cc(c(cc1)C)C","Cc1cc(c(cc1)C)C","Cc1cc(c(cc1)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[753,3672,"3,4-XYLIDINE","95-64-7","Cc1c(cc(cc1)N)C","Cc1c(cc(cc1)N)C","Cc1c(cc(cc1)N)C","Cc1c(cc(cc1)N)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[754,3641,"3,4-DIMETHYLPHENOL","95-65-8","Cc1c(cc(cc1)O)C","Cc1c(cc(cc1)O)C","Cc1c(cc(cc1)O)C","Cc1c(cc(cc1)O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[755,3434,"3,4-DICHLOROTOLUENE","95-75-0","Cc1cc(c(cc1)Cl)Cl","Cc1cc(c(cc1)Cl)Cl","Cc1cc(c(cc1)Cl)Cl","Cc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[756,3039,"3,4-DICHLOROANILINE","95-76-1","Nc1cc(c(cc1)Cl)Cl","Nc1cc(c(cc1)Cl)Cl","Nc1cc(c(cc1)Cl)Cl","Nc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[757,2994,"3,4-DICHLOROPHENOL","95-77-2","Oc1cc(c(cc1)Cl)Cl","Oc1cc(c(cc1)Cl)Cl","Oc1cc(c(cc1)Cl)Cl","Oc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[758,3671,"2,5-DIMETHYLANILINE","95-78-3","Cc1cc(c(cc1)C)N","Cc1cc(c(cc1)C)N","Cc1cc(c(cc1)C)N","Cc1cc(c(cc1)C)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[759,3640,"2,5-DIMETHYLPHENOL","95-87-4","Cc1cc(c(cc1)C)O","Cc1cc(c(cc1)C)O","Cc1cc(c(cc1)C)O","Cc1cc(c(cc1)C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[760,2734,"ethyloxalate","95-92-1","CCOC(=O)C(=O)O","CCOC(=O)C(=O)OCC","CCOC(=O)C(=O)OCC","CCOC(=O)C(=O)OCC",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[761,112,"1,2,4,5-TETRAMETHYLBENZENE","95-93-2","Cc1c(cc(c(c1)C)C)C","Cc1c(cc(c(c1)C)C)C","Cc1c(cc(c(c1)C)C)C","Cc1c(cc(c(c1)C)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[762,2936,"1,2,4,5-TETRACHLOROBENZENE","95-94-3","Clc1c(cc(c(c1)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[763,2959,"2,4,5-TRICHLOROPHENOL","95-95-4","Oc1c(cc(c(c1)Cl)Cl)Cl","Oc1c(cc(c(c1)Cl)Cl)Cl","Oc1c(cc(c(c1)Cl)Cl)Cl","Oc1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[764,3948,"STYRENE OXIDE","96-09-3","c1ccc(cc1)C2OC2","c1ccc(cc1)C2OC2","c1ccc(cc1)C2OC2","c1ccc(cc1)C2OC2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[765,2084,"1,2-DIBROMO-3-CHLOROPROPANE","96-12-8","ClCC(Br)CBr","ClCC(Br)CBr","ClCC(Br)CBr","ClCC(Br)CBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[766,2112,"2,3-DIBROMO-1-PROPANOL","96-13-9","OCC(Br)CBr","OCC(Br)CBr","OCC(Br)CBr","OCC(Br)CBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[767,2859,"3-METHYLPENTANE","96-14-0","CCC(C)CC","CCC(C)CC","CCC(C)CC","CCC(C)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[768,2090,"1,2,3-TRICHLOROPROPANE","96-18-4","ClCC(Cl)CCl","ClCC(Cl)CCl","ClCC(Cl)CCl","ClCC(Cl)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[769,2256,"2-Amino-1-butanol","96-20-8","CCC(N)CO","CCC(N)CO","CCC(N)CO","CCC(N)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[770,2485,"3-PENTANONE","96-22-0","CCC(=O)CC","CCC(=O)CC","CCC(=O)CC","CCC(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability","2443"]
[771,2119,"1,3-DICHLORO-2-PROPANOL","96-23-1","OC(CCl)CCl","OC(CCl)CCl","OC(CCl)CCl","OC(CCl)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[772,2159,"3-CHLORO-1,2-PROPANEDIOL","96-24-2","OCC(O)CCl","OCC(O)CCl","OCC(O)CCl","OCC(O)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[773,2444,"2-BUTANONE OXIME","96-29-7","CCC(C)=NO","CCC(C)=NO","CCC(C)=NO","CCC(C)=NO",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[774,2338,"METHYL ACRYLATE","96-33-3","C=CC(=O)OC","C=CC(=O)OC","C=CC(=O)OC",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[775,2096,"METHYL CHLOROACETATE","96-34-4","COC(=O)CCl","COC(=O)CCl","COC(=O)CCl","COC(=O)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[776,2769,"METHYLCYCLOPENTANE","96-37-7","CC1CCCC1","CC1CCCC1","CC1CCCC1","CC1CCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[777,2133,"ETHYLENETHIOUREA","96-45-7","S=C1NCCN1","S=C1NCCN1","S=C1NCCN1","S=C1NCCN1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[778,2490,"2-METHYLTETRAHYDROFURAN","96-47-9","CC1OCCC1","CC1OCCC1","CC1OCCC1","CC1OCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[779,2341,"GAMMA-BUTYROLACTONE","96-48-0","O=C1OCCC1","O=C1OCCC1","O=C1OCCC1","O=C1OCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[780,2081,"1,3-DIOXOLAN-2-ONE","96-49-1","O=C1OCCO1","O=C1OCCO1","O=C1OCCO1","O=C1OCCO1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[781,3304,"SOMAN","96-64-0","CC(OP(C)(=O)F)C(C)(C)C","CC(OP(C)(=O)F)C(C)(C)C","CC(OP(C)(=O)F)C(C)(C)C","CC(OP(C)(=O)F)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[782,1218,"2,4-DI-T-BUTYLPHENOL","96-76-4","CC(C)(C)c1cc(c(cc1)O)C(C)(C)C","CC(C)(C)c1cc(c(cc1)O)C(C)(C)C","CC(C)(C)c1cc(c(cc1)O)C(C)(C)C","CC(C)(C)c1cc(c(cc1)O)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[783,3833,"2-(BIS(1-METHYLETHYL)AMINO)ETHANOL","96-80-0","CC(C)N(CCO)C(C)C","CC(C)N(CCO)C(C)C","CC(C)N(CCO)C(C)C","CC(C)N(CCO)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[784,3234,"L-Valine, N-acetyl-","96-81-1","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","4174, 3322","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[785,374,"Iopanoic acid","96-83-3","CCC(Cc1c(c(c(cc1I)I)N)I)C(=O)O","CCC(Cc1c(c(c(cc1I)I)N)I)C(=O)O","CCC(Cc1c(c(c(cc1I)I)N)I)C(=O)O","CCC(Cc1c(c(c(cc1I)I)N)I)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[786,null,"2-piperidinecarboxamide,n-(2,6-dimethylphenyl)-","96-88-8","Cc1c(c(ccc1)C)NC(=O)C2NCCCC2","Cc1c(c(ccc1)C)NC(=O)C2N(CCCC2)C",null,"Cc1c(c(ccc1)C)NC(=O)C2N(CCCC2)C",2,1,1,"NO","NO","Manual Check","Verify Name"]
[787,3053,"2-AMINO-4,6-DINITROPHENOL","96-91-3","Nc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","Nc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","Nc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","Nc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[788,3555,"BENZENAMINE, 4-METHOXY-2-NITRO-","96-96-8","COc1cc(c(cc1)N)[N+](=O)[O-]","COc1cc(c(cc1)N)[N+](=O)[O-]","COc1cc(c(cc1)N)[N+](=O)[O-]","COc1cc(c(cc1)N)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[789,3428,"5-NITROSALICYLIC ACID","96-97-9","O=C(O)c1c(ccc(c1)[N+](=O)[O-])O","O=C(O)c1c(ccc(c1)[N+](=O)[O-])O","O=C(O)c1c(ccc(c1)[N+](=O)[O-])O",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[790,2962,"2,4-DINITROCHLOROBENZENE","97-00-7","O=[N+]([O-])c1cc(c(cc1)Cl)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)Cl)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)Cl)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)Cl)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[791,85,"DICHLOFENTHION","97-17-6","CCOP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl","CCOP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl","CCOP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl","CCOP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[792,null,"phenol,2,2'-thiobis4,6-dichloro-","97-18-7",null,"Oc1c(cc(cc1Cl)Cl)Sc2c(c(cc(c2)Cl)Cl)O",null,"Oc1c(cc(cc1Cl)Cl)Sc2c(c(cc(c2)Cl)Cl)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[793,null,"phenol,2,2'-methylenebis4-chloro-","97-23-4",null,"Oc1c(cc(cc1)Cl)Cc2c(ccc(c2)Cl)O",null,"Oc1c(cc(cc1)Cl)Cc2c(ccc(c2)Cl)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[794,3283,".alpha.-D-Glucopyranoside, methyl","97-30-3","COC1C(C(C(C(O1)CO)O)O)O","COC1C(C(C(C(O1)CO)O)O)O",null,"COC1C(C(C(C(O1)CO)O)O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[795,72,"EUGENOL","97-53-0","C=CCc1cc(c(cc1)O)OC","C=CCc1cc(c(cc1)O)OC","C=CCc1cc(c(cc1)O)OC","C=CCc1cc(c(cc1)O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[796,1156,"o-aminoazotoluene","97-56-3","Cc1c(cccc1)N=NC2(C(C=CC=C2)C)N","Cc1c(ccc(c1)N=Nc2c(cccc2)C)N","Cc1c(ccc(c1)N=Nc2c(cccc2)C)N","Cc1c(ccc(c1)N=Nc2c(cccc2)C)N",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[797,2328,"ALLANTOIN","97-59-6","NC(=O)NC1C(NC(N1)=O)=O","NC(=O)NC1C(NC(N1)=O)=O","NC(=O)NC1C(NC(N1)=O)=O","NC(=O)NC1C(NC(N1)=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[798,2811,"PENTANOIC ACID, 2-METHYL-","97-61-0","CCCC(C)C(=O)O","CCCC(C)C(=O)O","CCCC(C)C(=O)O","CCCC(C)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[799,2723,"ETHYL METHACRYLATE","97-63-2","C=C(C)C(=O)OCC","C=C(C)C(=O)OCC","C=C(C)C(=O)OCC","C=C(C)C(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[800,2508,"ETHYL LACTATE","97-64-3","CCOC(=O)C(C)O","CCOC(=O)C(C)O","CCOC(=O)C(C)O","CCOC(=O)C(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[801,2645,"Butanedioic acid, methylene-","97-65-4","C=C(CC(=O)O)C(=O)O","C=C(CC(=O)O)C(=O)O","C=C(CC(=O)O)C(=O)O","C=C(CC(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1903, 1902"]
[802,3773,"ISOBUTYL ISOBUTYRATE","97-85-8","CC(C)COC(=O)C(C)C","CC(C)COC(=O)C(C)C","CC(C)COC(=O)C(C)C","CC(C)COC(=O)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[803,3719,"METHACRYLIC ACID, I-BUTYL ESTER","97-86-9",null,"C=C(C)C(=O)OCC(C)C","C=C(C)C(=O)OCC(C)C","C=C(C)C(=O)OCC(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[804,3718,"METHACRYLIC ACID, N-BUTYL ESTER","97-88-1",null,"C=C(C)C(=O)OCCCC","C=C(C)C(=O)OCCCC","C=C(C)C(=O)OCCCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[805,2878,"2-ETHYL-1-BUTANOL","97-95-0","CCC(CC)CO","CCC(CC)CO","CCC(CC)CO","CCC(CC)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[806,2505,"TETRAHYDROFURFURYL ALCOHOL","97-99-4","OCC1OCCC1","OCC1OCCC1","OCC1OCCC1","OCC1OCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[807,2643,"2-HYDROXYMETHYLFURAN","98-00-0","OCc1occc1","OCc1occc1","OCc1occc1","OCc1occc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[808,2608,"FUFURAL","98-01-1",null,"O=Cc1occc1","O=Cc1occc1","O=Cc1occc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[809,106,"T-BUTYLBENZENE","98-06-6","CC(C)(C)c1ccccc1","CC(C)(C)c1ccccc1","CC(C)(C)c1ccccc1","CC(C)(C)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[810,3389,"BENZOTRICHLORIDE","98-07-7","ClC(Cl)(Cl)c1ccccc1","ClC(Cl)(Cl)c1ccccc1","ClC(Cl)(Cl)c1ccccc1","ClC(Cl)(Cl)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[811,3400,"BENZOTRIFLUORIDE","98-08-8","FC(F)(F)c1ccccc1","FC(F)(F)c1ccccc1","FC(F)(F)c1ccccc1","FC(F)(F)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[812,3118,"BENZENESULFONAMIDE","98-10-2","NS(=O)(=O)c1ccccc1","NS(=O)(=O)c1ccccc1","NS(=O)(=O)c1ccccc1","NS(=O)(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[813,3449,"3-TRIFLUOROMETHYLANILINE","98-16-8","Nc1cc(ccc1)C(F)(F)F","Nc1cc(ccc1)C(F)(F)F","Nc1cc(ccc1)C(F)(F)F","Nc1cc(ccc1)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[814,139,"1,2-Benzenediol, 4-(1,1-dimethylethyl)-","98-29-3","CC(C)(C)c1cc(c(cc1)O)O","CC(C)(C)c1cc(c(cc1)O)O","CC(C)(C)c1cc(c(cc1)O)O","CC(C)(C)c1cc(c(cc1)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[815,3121,"2-Aminophenol-4-sulfonic acid","98-37-3","Nc1c(ccc(c1)S(=O)(=O)O)O","Nc1c(ccc(c1)S(=O)(=O)O)O","Nc1c(ccc(c1)S(=O)(=O)O)O","Nc1c(ccc(c1)S(=O)(=O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[816,3615,"Benzenesulfonic acid, 3-amino-4-methoxy-","98-42-0","COc1c(cc(cc1)S(=O)(=O)O)N","COc1c(cc(cc1)S(=O)(=O)O)N","COc1c(cc(cc1)S(=O)(=O)O)N","COc1c(cc(cc1)S(=O)(=O)O)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[817,3549,"Benzoic acid, 2-amino-4-sulfo-","98-43-1","Nc1c(ccc(c1)S(=O)(=O)O)C(=O)O","Nc1c(ccc(c1)S(=O)(=O)O)C(=O)O","Nc1c(ccc(c1)S(=O)(=O)O)C(=O)O","Nc1c(ccc(c1)S(=O)(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[818,222,"Cyclohexanol, 4-(1,1-dimethylethyl)-","98-52-2","CC(C)(C)C1CCC(CC1)O","CC(C)(C)C1CCC(CC1)O","CC(C)(C)C1CCC(CC1)O","CC(C)(C)C1CCC(CC1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[819,131,"P-T-BUTYLYPHENOL","98-54-4",null,"CC(C)(C)c1ccc(cc1)O","CC(C)(C)c1ccc(cc1)O","CC(C)(C)c1ccc(cc1)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[820,189,"ALPHA-TERPINEOL","98-55-5","CC=1CCC(CC1)C(C)(C)O","CC=1CCC(CC1)C(C)(C)O","CC=1CCC(CC1)C(C)(C)O","CC=1CCC(CC1)C(C)(C)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[821,3001,"Benzenesulfonyl chloride, 4-iodo-","98-61-3","O=S(=O)(Cl)c1ccc(cc1)I","O=S(=O)(Cl)c1ccc(cc1)I","O=S(=O)(Cl)c1ccc(cc1)I","O=S(=O)(Cl)c1ccc(cc1)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[822,416,"BENZOIC ACID, 4-(TERT-BUTYL)-","98-73-7","CC(C)(C)c1ccc(cc1)C(=O)O","CC(C)(C)c1ccc(cc1)C(=O)O","CC(C)(C)c1ccc(cc1)C(=O)O","CC(C)(C)c1ccc(cc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[823,2653,"L-Proline, 5-oxo-","98-79-3","O=C1NC(CC1)C(=O)O","O=C1NC(CC1)C(=O)O","O=C1NC(CC1)C(=O)O","O=C1NC(CC1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[824,4086,"CUMENE","98-82-8","CC(C)c1ccccc1","CC(C)c1ccccc1","CC(C)c1ccccc1","CC(C)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[825,4007,"ALPHA-METHYLSTYRENE","98-83-9","C=C(C)c1ccccc1","C=C(C)c1ccccc1","C=C(C)c1ccccc1","C=C(C)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[826,3677,"BENZENEMETHANAMINE, .alpha.-METHYL-","98-84-0","CC(N)c1ccccc1","CC(N)c1ccccc1","CC(N)c1ccccc1","CC(N)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[827,3646,"ALPHA-METHYLBENZYL ALCOHOL","98-85-1","CC(O)c1ccccc1","CC(O)c1ccccc1","CC(O)c1ccccc1","CC(O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability","2919"]
[828,3949,"ACETOPHENONE","98-86-2","CC(=O)c1ccccc1","CC(=O)c1ccccc1","CC(=O)c1ccccc1","CC(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[829,3435,"(DICHLOROMETHYL)BENZENE","98-87-3","ClC(Cl)c1ccccc1","ClC(Cl)c1ccccc1","ClC(Cl)c1ccccc1","ClC(Cl)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[830,3210,"CYCLOHEXANECARBOXYLIC ACID","98-89-5","O=C(O)C1CCCCC1","O=C(O)C1CCCCC1","O=C(O)C1CCCCC1","O=C(O)C1CCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[831,3071,"NICOTINAMIDE","98-92-0","NC(=O)c1cnccc1","NC(=O)c1cnccc1","NC(=O)c1cnccc1","NC(=O)c1cnccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[832,3058,"NITROBENZENE","98-95-3","O=[N+]([O-])c1ccccc1","O=[N+]([O-])c1ccccc1","O=[N+]([O-])c1ccccc1",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[833,2615,"2-PYRAZINECARBOXAMIDE","98-96-4","NC(=O)c1nccnc1","NC(=O)c1nccnc1","NC(=O)c1nccnc1","NC(=O)c1nccnc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[834,3057,"PICOLINIC ACID","98-98-6","O=C(O)c1ncccc1","O=C(O)c1ncccc1","O=C(O)c1ncccc1","O=C(O)c1ncccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[835,3955,"M-TOLUIC ACID","99-04-7","Cc1cc(ccc1)C(=O)O","Cc1cc(ccc1)C(=O)O","Cc1cc(ccc1)C(=O)O","Cc1cc(ccc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[836,3529,"3-AMINOBENZOIC ACID","99-05-8","Nc1cc(ccc1)C(=O)O","Nc1cc(ccc1)C(=O)O","Nc1cc(ccc1)C(=O)O","Nc1cc(ccc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[837,3480,"M-HYDROXYBENZOIC ACID","99-06-9","O=C(O)c1cc(ccc1)O","O=C(O)c1cc(ccc1)O","O=C(O)c1cc(ccc1)O","O=C(O)c1cc(ccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[838,3527,"3-NITROTOLUENE","99-08-1","Cc1cc(ccc1)[N+](=O)[O-]","Cc1cc(ccc1)[N+](=O)[O-]","Cc1cc(ccc1)[N+](=O)[O-]","Cc1cc(ccc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[839,3074,"3-NITROANILINE","99-09-2","Nc1cc(ccc1)[N+](=O)[O-]","Nc1cc(ccc1)[N+](=O)[O-]","Nc1cc(ccc1)[N+](=O)[O-]","Nc1cc(ccc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[840,3148,"1,2,3-Propanetricarboxylic acid","99-14-9","O=C(O)CC(CC(=O)O)C(=O)O","O=C(O)CC(CC(=O)O)C(=O)O","O=C(O)CC(CC(=O)O)C(=O)O","O=C(O)CC(CC(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[841,1698,"POPULIN","99-17-2","O=C(OCC1C(C(C(C(O1)Oc2c(cccc2)CO)O)O)O)c3ccccc3","O=C(OCC1C(C(C(C(O1)Oc2c(cccc2)CO)O)O)O)c3ccccc3","O=C(OCC1C(C(C(C(O1)Oc2c(cccc2)CO)O)O)O)c3ccccc3","O=C(OCC1C(C(C(C(O1)Oc2c(cccc2)CO)O)O)O)c3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[842,3978,"METHYL GALLATE","99-24-1","COC(=O)c1cc(c(c(c1)O)O)O","COC(=O)c1cc(c(c(c1)O)O)O","COC(=O)c1cc(c(c(c1)O)O)O","COC(=O)c1cc(c(c(c1)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[843,2987,"2,6-DICHLORO-4-NITROANILINE","99-30-9","Nc1c(cc(cc1Cl)[N+](=O)[O-])Cl","Nc1c(cc(cc1Cl)[N+](=O)[O-])Cl","Nc1c(cc(cc1Cl)[N+](=O)[O-])Cl","Nc1c(cc(cc1Cl)[N+](=O)[O-])Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[844,3376,"4-OXO-4H-PYRAN-2,6-DICARBOXYLIC ACID","99-32-1","O=C(O)c1oc(cc(c1)=O)C(=O)O","O=C(O)c1oc(cc(c1)=O)C(=O)O","O=C(O)c1oc(cc(c1)=O)C(=O)O","O=C(O)c1oc(cc(c1)=O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[845,3374,"3,5-DINITROBENZOIC ACID","99-34-3","O=C(O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[846,2968,"1,3,5-TRINITROBENZENE","99-35-4","O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[847,135,"CARVONE","99-49-0","C=C(C)C1CC(C(=CC1)C)=O","C=C(C)C1CC(C(=CC1)C)=O","C=C(C)C1CC(C(=CC1)C)=O","C=C(C)C1CC(C(=CC1)C)=O",4,0,0,"NO","NO","Mantain","High Reliability","1907, 3146, 3758","Stereochemistry removed"]
[848,3487,"3,4-DIHYDROXYBENZOIC ACID","99-50-3","O=C(O)c1cc(c(cc1)O)O","O=C(O)c1cc(c(cc1)O)O","O=C(O)c1cc(c(cc1)O)O","O=C(O)c1cc(c(cc1)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[849,2951,"3,4-DICHLORONITROBENZENE","99-54-7","O=[N+]([O-])c1cc(c(cc1)Cl)Cl","O=[N+]([O-])c1cc(c(cc1)Cl)Cl","O=[N+]([O-])c1cc(c(cc1)Cl)Cl","O=[N+]([O-])c1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[850,3078,"2-AMINO-4-NITROPHENOL","99-57-0","Nc1c(ccc(c1)[N+](=O)[O-])O","Nc1c(ccc(c1)[N+](=O)[O-])O","Nc1c(ccc(c1)[N+](=O)[O-])O","Nc1c(ccc(c1)[N+](=O)[O-])O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[851,3556,"2-METHOXY-5-NITROANILINE","99-59-2","COc1c(cc(cc1)[N+](=O)[O-])N","COc1c(cc(cc1)[N+](=O)[O-])N","COc1c(cc(cc1)[N+](=O)[O-])N","COc1c(cc(cc1)[N+](=O)[O-])N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[852,3416,"M-NITROBENZALDEHYDE","99-61-6","O=Cc1cc(ccc1)[N+](=O)[O-]","O=Cc1cc(ccc1)[N+](=O)[O-]","O=Cc1cc(ccc1)[N+](=O)[O-]","O=Cc1cc(ccc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[853,3018,"1,3-DINITROBENZENE","99-65-0","O=[N+]([O-])c1cc(ccc1)[N+](=O)[O-]","O=[N+]([O-])c1cc(ccc1)[N+](=O)[O-]","O=[N+]([O-])c1cc(ccc1)[N+](=O)[O-]","O=[N+]([O-])c1cc(ccc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[854,3771,"VALPROIC ACID","99-66-1","CCCC(CCC)C(=O)O","CCCC(CCC)C(=O)O","CCCC(CCC)C(=O)O","CCCC(CCC)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[855,134,"P-(SEC-BUTYL)PHENOL","99-71-8","CCC(C)c1ccc(cc1)O","CCC(C)c1ccc(cc1)O","CCC(C)c1ccc(cc1)O","CCC(C)c1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[856,3960,"4-hydroxymethylbenzoate","99-76-3",null,"COC(=O)c1ccc(cc1)O",null,"COC(=O)c1ccc(cc1)O",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[857,216,"P-MENTHANE","99-82-1","CC1CCC(CC1)C(C)C","CC1CCC(CC1)C(C)C","CC1CCC(CC1)C(C)C","CC1CCC(CC1)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[858,155,"GAMMA-TERPINENE","99-85-4","CC=1CC=C(CC1)C(C)C","CC=1CC=C(CC1)C(C)C","CC=1CC=C(CC1)C(C)C","CC=1CC=C(CC1)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability","1542, 2258, 3688"]
[859,114,"P-CYMENE","99-87-6","Cc1ccc(cc1)C(C)C","Cc1ccc(cc1)C(C)C","Cc1ccc(cc1)C(C)C","Cc1ccc(cc1)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[860,3988,"4-AMINOACETOPHENONE","99-92-3","CC(=O)c1ccc(cc1)N","CC(=O)c1ccc(cc1)N","CC(=O)c1ccc(cc1)N","CC(=O)c1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[861,3953,"P-HYDROXYACETOPHENONE","99-93-4","CC(=O)c1ccc(cc1)O","CC(=O)c1ccc(cc1)O","CC(=O)c1ccc(cc1)O","CC(=O)c1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[862,3954,"P-TOLUIC ACID","99-94-5","Cc1ccc(cc1)C(=O)O","Cc1ccc(cc1)C(=O)O","Cc1ccc(cc1)C(=O)O","Cc1ccc(cc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[863,3481,"P-HYDROXYBENZOIC ACID","99-96-7","O=C(O)c1ccc(cc1)O","O=C(O)c1ccc(cc1)O","O=C(O)c1ccc(cc1)O","O=C(O)c1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[864,4113,"N,N,4-TRIMETHYLANILINE","99-97-8","Cc1ccc(cc1)N(C)C","Cc1ccc(cc1)N(C)C","Cc1ccc(cc1)N(C)C","Cc1ccc(cc1)N(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[865,3526,"P-NITROTOLUENE","99-99-0","Cc1ccc(cc1)[N+](=O)[O-]","Cc1ccc(cc1)[N+](=O)[O-]","Cc1ccc(cc1)[N+](=O)[O-]","Cc1ccc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[866,3002,"P-CHLORONITROBENZENE","100-00-5","O=[N+]([O-])c1ccc(cc1)Cl","O=[N+]([O-])c1ccc(cc1)Cl","O=[N+]([O-])c1ccc(cc1)Cl","O=[N+]([O-])c1ccc(cc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[867,3073,"4-NITROANILINE","100-01-6","Nc1ccc(cc1)[N+](=O)[O-]","Nc1ccc(cc1)[N+](=O)[O-]","Nc1ccc(cc1)[N+](=O)[O-]","Nc1ccc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[868,3061,"4-NITROPHENOL","100-02-7","O=[N+]([O-])c1ccc(cc1)O","O=[N+]([O-])c1ccc(cc1)O","O=[N+]([O-])c1ccc(cc1)O","O=[N+]([O-])c1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[869,3958,"P-METHOXYBENZOIC ACID","100-09-4","COc1ccc(cc1)C(=O)O","COc1ccc(cc1)C(=O)O","COc1ccc(cc1)C(=O)O","COc1ccc(cc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","2894"]
[870,3535,"P-NITROANISOLE","100-17-4","COc1ccc(cc1)[N+](=O)[O-]","COc1ccc(cc1)[N+](=O)[O-]","COc1ccc(cc1)[N+](=O)[O-]","COc1ccc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[871,3898,"TEREPHTHALIC ACID","100-21-0","O=C(O)c1ccc(cc1)C(=O)O","O=C(O)c1ccc(cc1)C(=O)O","O=C(O)c1ccc(cc1)C(=O)O","O=C(O)c1ccc(cc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[872,3017,"P-DINITROBENZENE","100-25-4","O=[N+]([O-])c1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[873,3420,"PYRIDINE-2,5-DICARBOXYLIC ACID","100-26-5","O=C(O)c1cnc(cc1)C(=O)O","O=C(O)c1cnc(cc1)C(=O)O","O=C(O)c1cnc(cc1)C(=O)O","O=C(O)c1cnc(cc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[874,2915,"2-(DIETHYLAMINO)-ETHANOL","100-37-8","CCN(CC)CCO","CCN(CC)CCO","CCN(CC)CCO","CCN(CC)CCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[875,3692,"4-VINYLCYCLOHEXENE","100-40-3","C=CC1CCC=CC1","C=CC1CCC=CC1","C=CC1CCC=CC1","C=CC1CCC=CC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[876,3617,"ETHYLBENZENE","100-41-4","CCc1ccccc1","CCc1ccccc1","CCc1ccccc1","CCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[877,3926,"STYRENE","100-42-5","C=Cc1ccccc1","C=Cc1ccccc1","C=Cc1ccccc1","C=Cc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[878,3517,"4-VINYLPYRIDINE","100-43-6","C=Cc1ccncc1","C=Cc1ccncc1","C=Cc1ccncc1","C=Cc1ccncc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[879,3501,"ALPHA-CHLOROTOLUENE","100-44-7","ClCc1ccccc1","ClCc1ccccc1","ClCc1ccccc1","ClCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[880,3595,"BENZYLAMINE","100-46-9","NCc1ccccc1","NCc1ccccc1","NCc1ccccc1","NCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[881,3408,"BENZONITRILE","100-47-0","N#Cc1ccccc1","N#Cc1ccccc1","N#Cc1ccccc1","N#Cc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[882,3016,"4-CYANOPYRIDINE","100-48-1","N#Cc1ccncc1","N#Cc1ccncc1","N#Cc1ccncc1","N#Cc1ccncc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[883,3566,"BENZYL ALCOHOL","100-51-6","OCc1ccccc1","OCc1ccccc1","OCc1ccccc1","OCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[884,3473,"BENZALDEHYDE","100-52-7","O=Cc1ccccc1","O=Cc1ccccc1","O=Cc1ccccc1","O=Cc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[885,3015,"3-CYANOPYRIDINE","100-54-9","N#Cc1cnccc1","N#Cc1cnccc1","N#Cc1cnccc1","N#Cc1cnccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[886,3115,"3-PYRIDINEMETHANOL","100-55-0","OCc1cnccc1","OCc1cnccc1","OCc1cnccc1","OCc1cnccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[887,null,"PHENYLMERCURIC HYDROXIDE","100-57-2",null,null,"O[Hg]c1ccccc1","O[Hg]c1ccccc1",2,0,2,"NO","NO","Eliminate","-",null,"Unusual elements"]
[888,3594,"N-METHYLANILINE","100-61-8","CNc1ccccc1","CNc1ccccc1","CNc1ccccc1","CNc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[889,3131,"PHENYL HYDRAZINE","100-63-0","NNc1ccccc1","NNc1ccccc1","NNc1ccccc1","NNc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[890,2761,"CYCLOHEXANONE OXIME","100-64-1","ON=C1CCCCC1","ON=C1CCCCC1","ON=C1CCCCC1","ON=C1CCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[891,3116,"PHENYLHYDROXYLAMINE","100-65-2","ONc1ccccc1","ONc1ccccc1","ONc1ccccc1","ONc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[892,3565,"ANISOLE","100-66-3","COc1ccccc1","COc1ccccc1","COc1ccccc1","COc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[893,3580,"THIOANISOLE","100-68-5","CSc1ccccc1","CSc1ccccc1","CSc1ccccc1","CSc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[894,3518,"2-VINYLPYRIDINE","100-69-6","C=Cc1ncccc1","C=Cc1ncccc1","C=Cc1ncccc1","C=Cc1ncccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[895,3584,"2-ETHYLPYRIDINE","100-71-0","CCc1ncccc1","CCc1ncccc1","CCc1ncccc1","CCc1ncccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[896,2826,"TETRAHYDROPYRAN-2-METHANOL","100-72-1","OCC1OCCCC1","OCC1OCCCC1",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[897,2846,"4-ETHYLMORPHOLINE","100-74-3","CCN1CCOCC1","CCN1CCOCC1","CCN1CCOCC1","CCN1CCOCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[898,2474,"N-NITROSOPIPERIDINE","100-75-4","O=NN1CCCCC1","O=NN1CCCCC1","O=NN1CCCCC1","O=NN1CCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[899,4005,"M-METHYLSTYRENE","100-80-1","C=Cc1cc(ccc1)C","C=Cc1cc(ccc1)C","C=Cc1cc(ccc1)C","C=Cc1cc(ccc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[900,3475,"3-HYDROXYBENZALDEHYDE","100-83-4","O=Cc1cc(ccc1)O","O=Cc1cc(ccc1)O","O=Cc1cc(ccc1)O","O=Cc1cc(ccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[901,null,"acetamide,n-[4-[[(4,6-dimethyl-2-pyrimidinyl)am","100-90-3",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(cc(n2)C)C",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(cc(n2)C)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[902,2792,"HEXAMETHYLENETETRAMINE","100-97-0","C1N2CN3CN1CN(C2)C3","C1N2CN3CN1CN(C2)C3","C1N2CN3CN1CN(C2)C3","C1N2CN3CN1CN(C2)C3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[903,4227,"ANILAZINE","101-05-3","Clc1nc(nc(n1)Cl)Nc2c(cccc2)Cl","Clc1nc(nc(n1)Cl)Nc2c(cccc2)Cl","Clc1nc(nc(n1)Cl)Nc2c(cccc2)Cl",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[904,4299,"Cloprop","101-10-0","CC(Oc1cc(ccc1)Cl)C(=O)O","CC(Oc1cc(ccc1)Cl)C(=O)O","CC(Oc1cc(ccc1)Cl)C(=O)O","CC(Oc1cc(ccc1)Cl)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[905,998,"4,4'-METHYLENEBIS(2-CHLOROANILINE)","101-14-4","Nc1c(cc(cc1)Cc2cc(c(cc2)N)Cl)Cl","Nc1c(cc(cc1)Cc2cc(c(cc2)N)Cl)Cl","Nc1c(cc(cc1)Cc2cc(c(cc2)N)Cl)Cl","Nc1c(cc(cc1)Cc2cc(c(cc2)N)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[906,55,"CHLORPROPHAM","101-21-3","CC(C)OC(=O)Nc1cc(ccc1)Cl","CC(C)OC(=O)Nc1cc(ccc1)Cl","CC(C)OC(=O)Nc1cc(ccc1)Cl","CC(C)OC(=O)Nc1cc(ccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[907,524,"BARBAN","101-27-9","O=C(Nc1cc(ccc1)Cl)OCC#CCCl","O=C(Nc1cc(ccc1)Cl)OCC#CCCl","O=C(Nc1cc(ccc1)Cl)OCC#CCCl","O=C(Nc1cc(ccc1)Cl)OCC#CCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[908,1514,"Hyoscyamine","101-31-5","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3",null,"CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3",3,0,1,"NO","NO","Mantain","Medium Reliability","50","Stereochemistry removed"]
[909,4089,"FENURON","101-42-8","CN(C)C(=O)Nc1ccccc1","CN(C)C(=O)Nc1ccccc1","CN(C)C(=O)Nc1ccccc1","CN(C)C(=O)Nc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[910,1004,"4-HYDROXYDIPHENYLMETHANE","101-53-1","Oc1ccc(cc1)Cc2ccccc2","Oc1ccc(cc1)Cc2ccccc2","Oc1ccc(cc1)Cc2ccccc2","Oc1ccc(cc1)Cc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[911,1013,"DI-(P-AMINOPHENYL)METHANE","101-77-9",null,"Nc1ccc(cc1)Cc2ccc(cc2)N","Nc1ccc(cc1)Cc2ccc(cc2)N","Nc1ccc(cc1)Cc2ccc(cc2)N",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[912,996,"BENZENE, 1,1'-METHYLENEBIS-","101-81-5","c1ccc(cc1)Cc2ccccc2","c1ccc(cc1)Cc2ccccc2","c1ccc(cc1)Cc2ccccc2","c1ccc(cc1)Cc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[913,544,"DIPHENYL ETHER","101-84-8","c1ccc(cc1)Oc2ccccc2","c1ccc(cc1)Oc2ccccc2","c1ccc(cc1)Oc2ccccc2","c1ccc(cc1)Oc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[914,1007,"N,N'-DIPHENYLGUANIDINE","102-06-7","N=C(Nc1ccccc1)Nc2ccccc2","NC(=Nc1ccccc1)Nc2ccccc2","N=C(Nc1ccccc1)Nc2ccccc2","N=C(Nc1ccccc1)Nc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[915,1000,"DIPHENYLUREA, SYM","102-07-8",null,"O=C(Nc1ccccc1)Nc2ccccc2","O=C(Nc1ccccc1)Nc2ccccc2","O=C(Nc1ccccc1)Nc2ccccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[916,null,"1,3,5-TRIETHYLBENZENE","102-25-0","CCc1cc(cc(c1)CC)CC","CCc1cc(cc(c1)CC)CC","CCC=1C=C(CC(C1)CC)CC","CCC=1C=C(CC(C1)CC)CC",2,2,0,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[917,4220,"Methanediamine, N,N,N',N'-tetraethyl-","102-53-4","CCN(CC)CN(CC)CC","CCN(CC)CN(CC)CC","CCN(CC)CN(CC)CC","CCN(CC)CN(CC)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[918,1234,"Entprol","102-60-3","CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O","CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O","CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O","CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[919,null,"beta-alanine,n-[[(4-nitrophenyl)amino]carbonyl]","102-66-9",null,"O=C(O)CCNC(=O)Nc1ccc(cc1)[N+](=O)[O-]",null,"O=C(O)CCNC(=O)Nc1ccc(cc1)[N+](=O)[O-]",2,0,2,"NO","NO","Manual Check","Verify Name"]
[920,4210,"TRIPROPYLAMINE","102-69-2","CCCN(CCC)CCC","CCCN(CCC)CCC","CCCN(CCC)CCC","CCCN(CCC)CCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[921,4133,"TRIALLYLAMINE","102-70-5","C=CCN(CC=C)CC=C","C=CCN(CC=C)CC=C","C=CCN(CC=C)CC=C","C=CCN(CC=C)CC=C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[922,2919,"TRIETHANOLAMINE","102-71-6","OCCN(CCO)CCO","OCCN(CCO)CCO","OCCN(CCO)CCO","OCCN(CCO)CCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[923,4128,"TRIACETIN","102-76-1","CC(=O)OCC(COC(C)=O)OC(C)=O","CC(=O)OCC(COC(C)=O)OC(C)=O","CC(=O)OCC(COC(C)=O)OC(C)=O","CC(=O)OCC(COC(C)=O)OC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[924,248,"2-Dibutylaminoethanol","102-81-8","CCCCN(CCO)CCCC","CCCCN(CCO)CCCC","CCCCN(CCO)CCCC","CCCCN(CCO)CCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[925,717,"TRI N-BUTYLAMINE","102-82-9",null,"CCCCN(CCCC)CCCC","CCCCN(CCCC)CCCC","CCCCN(CCCC)CCCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[926,479,"2-ETHYLHEXYL ACRYLATE","103-11-7","C=CC(=O)OCC(CC)CCCC","C=CC(=O)OCC(CC)CCCC","C=CC(=O)OCC(CC)CCCC","C=CC(=O)OCC(CC)CCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[927,1814,"DI-2-ETHYLHEXYL ADIPATE","103-23-1","CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[928,1144,"BIBENZYL","103-29-7","c1ccc(cc1)CCc2ccccc2","c1ccc(cc1)CCc2ccccc2","c1ccc(cc1)CCc2ccccc2","c1ccc(cc1)CCc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[929,1120,"STILBENE (TRANS)","103-30-0",null,"C(=Cc1ccccc1)c2ccccc2","C(=Cc1ccccc1)c2ccccc2","C(=Cc1ccccc1)c2ccccc2",3,0,1,"NO","NO","Mantain","Medium Reliability","2268","Stereochemistry removed"]
[930,538,"AZOBENZENE","103-33-3","c1ccc(cc1)N=Nc2ccccc2","c1ccc(cc1)N=Nc2ccccc2","c1ccc(cc1)N=Nc2ccccc2","c1ccc(cc1)N=Nc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[931,385,"CINNAMIC ACID, ETHYL ESTER","103-36-6","CCOC(=O)C=Cc1ccccc1","CCOC(=O)C=Cc1ccccc1","CCOC(=O)C=Cc1ccccc1","CCOC(=O)C=Cc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[932,1150,"DIBENZYL ETHER","103-50-4","c1ccc(cc1)COCc2ccccc2","c1ccc(cc1)COCc2ccccc2","c1ccc(cc1)COCc2ccccc2","c1ccc(cc1)COCc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[933,3980,"(2-BROMOETHYL)BENZENE","103-63-9","BrCCc1ccccc1","BrCCc1ccccc1","BrCCc1ccccc1","BrCCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[934,4078,"N-PROPYLBENZENE","103-65-1","CCCc1ccccc1","CCCc1ccccc1","CCCc1ccccc1","CCCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[935,3680,"N-METHYLBENZYLAMINE","103-67-3","CNCc1ccccc1","CNCc1ccccc1","CNCc1ccccc1","CNCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[936,3668,"N-ETHYLANILINE","103-69-5","CCNc1ccccc1","CCNc1ccccc1","CCNc1ccccc1","CCNc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[937,3525,"FORMANILIDE","103-70-8","O=CNc1ccccc1","O=CNc1ccccc1","O=CNc1ccccc1","O=CNc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[938,3432,"PHENYLISOTHIOCYANATE","103-72-0","S=C=Nc1ccccc1","S=C=Nc1ccccc1","S=C=Nc1ccccc1","S=C=Nc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[939,3639,"ETHOXYBENZENE","103-73-1","CCOc1ccccc1","CCOc1ccccc1","CCOc1ccccc1","CCOc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[940,3957,"PHENYLACETIC ACID","103-82-2","O=C(O)Cc1ccccc1","O=C(O)Cc1ccccc1","O=C(O)Cc1ccccc1","O=C(O)Cc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[941,4110,"N,N-DIMETHYLBENZYLAMINE","103-83-3","CN(C)Cc1ccccc1","CN(C)Cc1ccccc1","CN(C)Cc1ccccc1","CN(C)Cc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[942,3989,"ACETANILIDE","103-84-4","CC(=O)Nc1ccccc1","CC(=O)Nc1ccccc1","CC(=O)Nc1ccccc1","CC(=O)Nc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[943,3559,"N-PHENYLTHIOUREA","103-85-5","NC(=S)Nc1ccccc1","NC(=S)Nc1ccccc1","NC(=S)Nc1ccccc1","NC(=S)Nc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[944,4063,"4-METHYLACETANILIDE","103-89-9","CC(=O)Nc1ccc(cc1)C","CC(=O)Nc1ccc(cc1)C","CC(=O)Nc1ccc(cc1)C","CC(=O)Nc1ccc(cc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[945,3994,"ACETAMIDE, N-(4-HYDROXYPHENYL)","103-90-2","CC(=O)Nc1ccc(cc1)O","CC(=O)Nc1ccc(cc1)O","CC(=O)Nc1ccc(cc1)O","CC(=O)Nc1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[946,3940,"4-NITROACETANILIDE","104-04-1","CC(=O)Nc1ccc(cc1)[N+](=O)[O-]","CC(=O)Nc1ccc(cc1)[N+](=O)[O-]",null,"CC(=O)Nc1ccc(cc1)[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[947,68,"Thiacetazone","104-06-3","CC(=O)Nc1ccc(cc1)C=NNC(N)=S","CC(=O)Nc1ccc(cc1)C=NNC(N)=S",null,"CC(=O)Nc1ccc(cc1)C=NNC(N)=S",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[948,3578,"P-TOLUENESULFONIC ACID","104-15-4","Cc1ccc(cc1)S(=O)(=O)O","Cc1ccc(cc1)S(=O)(=O)O","Cc1ccc(cc1)S(=O)(=O)O","Cc1ccc(cc1)S(=O)(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[949,null,"benzenesulfonamide,4-[(phenylmethyl)amino]-","104-22-3","NS(=O)(=O)c1ccc(cc1)NCc2ccccc2","Nc1ccc(cc1)S(=O)(=O)NCc2ccccc2",null,"Nc1ccc(cc1)S(=O)(=O)NCc2ccccc2",2,1,1,"NO","NO","Manual Check","Verify Name"]
[950,null,"2-propenoicacid,3-(4-methoxyphenyl)-,2-ethoxy","104-28-9",null,"CCOCCOC(=O)C=Cc1ccc(cc1)OC",null,"CCOCCOC(=O)C=Cc1ccc(cc1)OC",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[951,4059,"Chlorphenesin","104-29-0","OCC(O)COc1ccc(cc1)Cl","OCC(O)COc1ccc(cc1)Cl","OCC(O)COc1ccc(cc1)Cl","OCC(O)COc1ccc(cc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[952,1373,"P-NONYLPHENOL","104-40-5","CCCCCCCCCc1ccc(cc1)O","CCCCCCCCCc1ccc(cc1)O","CCCCCCCCCc1ccc(cc1)O",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[953,69,"ANETHOLE","104-46-1","CC=Cc1ccc(cc1)OC","CC=Cc1ccc(cc1)OC","CC=Cc1ccc(cc1)OC","CC=Cc1ccc(cc1)OC",4,0,0,"NO","NO","Mantain","High Reliability","1557","Stereochemistry removed"]
[954,107,"N-BUTYLBENZENE","104-51-8","CCCCc1ccccc1","CCCCc1ccccc1","CCCCc1ccccc1","CCCCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[955,4278,"3-PHENYL-2-PROPENAL","104-55-2","O=CC=Cc1ccccc1","O=CC=Cc1ccccc1","O=CC=Cc1ccccc1","O=CC=Cc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[956,1453,"1-PHENYLDECANE","104-72-3","CCCCCCCCCCc1ccccc1","CCCCCCCCCCc1ccccc1","CCCCCCCCCCc1ccccc1","CCCCCCCCCCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[957,3831,"2-ETHYLHEXYLAMINE","104-75-6","CCCCC(CC)CN","CCCCC(CC)CN","CCCCC(CC)CN","CCCCC(CC)CN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[958,3802,"2-ETHYL-1-HEXANOL","104-76-7","CCCCC(CC)CO","CCCCC(CC)CO",null,"CCCCC(CC)CO",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[959,2833,"2,5-Tetrahydrofurandimethanol","104-80-3","OCC1OC(CC1)CO","OCC1OC(CC1)CO",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[960,3950,"P-TOLUALDEHYDE","104-87-0","Cc1ccc(cc1)C=O","Cc1ccc(cc1)C=O","Cc1ccc(cc1)C=O","Cc1ccc(cc1)C=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[961,3669,"5-ETHYL-2-METHYLPYRIDINE","104-90-5","CCc1cnc(cc1)C","CCc1cnc(cc1)C","CCc1cnc(cc1)C","CCc1cnc(cc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[962,3606,"4-METHOXYANILINE","104-94-9","COc1ccc(cc1)N","COc1ccc(cc1)N","COc1ccc(cc1)N","COc1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[963,3076,"2-Propenoic acid, 3-(1H-imidazol-4-yl)-","104-98-3","O=C(O)C=Cc1nc[nH]c1","O=C(O)C=Cc1[nH]cnc1",null,"O=C(O)C=Cc1nc[nH]c1",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[964,109,"P-DIETHYLBENZENE","105-05-5","CCc1ccc(cc1)CC","CCc1ccc(cc1)CC","CCc1ccc(cc1)CC","CCc1ccc(cc1)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[965,3651,"P-METHOXYBENZYL ALCOHOL","105-13-5","COc1ccc(cc1)CO","COc1ccc(cc1)CO","COc1ccc(cc1)CO","COc1ccc(cc1)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[966,2874,"2-METHYL-1-PENTANOL","105-30-6","CCCC(C)CO","CCCC(C)CO","CCCC(C)CO","CCCC(C)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[967,2716,"1-HEXYN-3-OL","105-31-7","C#CC(O)CCC","C#CC(O)CCC","C#CC(O)CCC","C#CC(O)CCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[968,2497,"ETHYL PROPIONATE","105-37-3","CCOC(=O)CC","CCOC(=O)CC","CCOC(=O)CC","CCOC(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[969,2365,"ETHYL CHLOROACETATE","105-39-5","CCOC(=O)CCl","CCOC(=O)CCl","CCOC(=O)CCl","CCOC(=O)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[970,2451,"N-METHYLCARBAMIC ACID, ET ESTER","105-40-8",null,"CCOC(=O)NC","CCOC(=O)NC","CCOC(=O)NC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[971,2679,"METHYL ACETOACETATE","105-45-3","COC(=O)CC(C)=O","COC(=O)CC(C)=O","COC(=O)CC(C)=O","COC(=O)CC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[972,2817,"S-BUTYLACETATE","105-46-4",null,"CCC(C)OC(C)=O","CCC(C)OC(C)=O","CCC(C)OC(C)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[973,3215,"DIETHYL MALONATE","105-53-3","CCOC(=O)CC(=O)OCC","CCOC(=O)CC(=O)OCC","CCOC(=O)CC(=O)OCC","CCOC(=O)CC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[974,2815,"ETHYLBUTYRATE","105-54-4","CCCC(=O)OCC","CCCC(=O)OCC","CCCC(=O)OCC","CCCC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[975,null,"n,n-diethylthiourea","105-55-5","CCN(CC)C(N)=S","CCNC(=S)NCC",null,"CCNC(=S)NCC",2,1,1,"NO","NO","Manual Check","Verify Name"]
[976,2651,"ETHYL CYANOACETATE","105-56-6","CCOC(=O)CC#N","CCOC(=O)CC#N","CCOC(=O)CC#N","CCOC(=O)CC#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[977,2897,"1,1-DIETHOXYETHANE","105-57-7","CCOC(C)OCC","CCOC(C)OCC","CCOC(C)OCC","CCOC(C)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[978,2507,"DIETHYL CARBONATE","105-58-8","CCOC(=O)OCC","CCOC(=O)OCC","CCOC(=O)OCC","CCOC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[979,2580,"N-METHYLDIETHANOLAMINE","105-59-9","CN(CCO)CCO","CN(CCO)CCO","CN(CCO)CCO","CN(CCO)CCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[980,2760,"CAPROLACTAM","105-60-2","O=C1NCCCCC1","O=C1NCCCCC1","O=C1NCCCCC1","O=C1NCCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[981,3268,"N-PROPYLBUTYRATE","105-66-8",null,"CCCOC(=O)CCC","CCCOC(=O)CCC","CCCOC(=O)CCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[982,3642,"2,4-DIMETHYLPHENOL","105-67-9","Cc1cc(c(cc1)O)C","Cc1cc(c(cc1)O)C","Cc1cc(c(cc1)O)C","Cc1cc(c(cc1)O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[983,198,"Butanoic acid, 1,2-ethanediyl ester","105-72-6","CCCC(=O)OCCOC(=O)CCC","CCCC(=O)OCCOC(=O)CCC",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[984,683,"DIBUTYL MALEATE","105-76-0","CCCCOC(=O)C=CC(=O)OCCCC","CCCCOC(=O)C=CC(=O)OCCCC","CCCCOC(=O)C=CC(=O)OCCCC","CCCCOC(=O)C=CC(=O)OCCCC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[985,702,"Hexanedioic acid, bis(2-methoxyethyl) ester","106-00-3","COCCOC(=O)CCCCC(=O)OCCOC","COCCOC(=O)CCCCC(=O)OCCOC","COCCOC(=O)CCCCC(=O)OCCOC","COCCOC(=O)CCCCC(=O)OCCOC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[986,190,"GERANIOL","106-24-1","CC(C)=CCCC(C)=CCO","CC(C)=CCCC(C)=CCO",null,"CC(C)=CCCC(C)=CCO",3,0,1,"NO","NO","Mantain","Medium Reliability","987","Stereochemistry removed"]
[987,190,"2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-","106-25-2","CC(C)=CCCC(C)=CCO","CC(C)=CCCC(C)=CCO","CC(C)=CCCC(C)=CCO","CC(C)=CCCC(C)=CCO",4,0,0,"NO","NO","Mantain","High Reliability","986","Stereochemistry removed"]
[988,4180,"ETHYL HEPTANOATE","106-30-9","CCCCCCC(=O)OCC","CCCCCCC(=O)OCC","CCCCCCC(=O)OCC","CCCCCCC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[989,227,"ETHYL OCTANOATE","106-32-1","CCCCCCCC(=O)OCC","CCCCCCCC(=O)OCC","CCCCCCCC(=O)OCC","CCCCCCCC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[990,3087,"QUINHYDRONE","106-34-3","Oc1ccc(cc1)O","Oc1ccc(cc1)O","Oc1ccc(cc1)O","Oc1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability","1412","Organic counterion"]
[991,3257,"3-HEPTANONE","106-35-4","CCCCC(=O)CC","CCCCC(=O)CC","CCCCC(=O)CC","CCCCC(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[992,2816,"N-PROPYLPROPIONATE","106-36-5",null,"CCCOC(=O)CC","CCCOC(=O)CC","CCCOC(=O)CC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[993,2971,"1,4-DIBROMOBENZENE","106-37-6","Brc1ccc(cc1)Br","Brc1ccc(cc1)Br","Brc1ccc(cc1)Br","Brc1ccc(cc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[994,3491,"P-BROMOTOLUENE","106-38-7","Cc1ccc(cc1)Br","Cc1ccc(cc1)Br","Cc1ccc(cc1)Br","Cc1ccc(cc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[995,2976,"P-BROMOCHLOROBENZENE","106-39-8","Clc1ccc(cc1)Br","Clc1ccc(cc1)Br","Clc1ccc(cc1)Br","Clc1ccc(cc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[996,3034,"P-BROMOPHENOL","106-41-2","Oc1ccc(cc1)Br","Oc1ccc(cc1)Br","Oc1ccc(cc1)Br","Oc1ccc(cc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[997,3618,"P-XYLENE","106-42-3","Cc1ccc(cc1)C","Cc1ccc(cc1)C","Cc1ccc(cc1)C","Cc1ccc(cc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[998,3498,"P-CHLOROTOLUENE","106-43-4","Cc1ccc(cc1)Cl","Cc1ccc(cc1)Cl","Cc1ccc(cc1)Cl","Cc1ccc(cc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[999,3562,"P-CRESOL","106-44-5","Cc1ccc(cc1)O","Cc1ccc(cc1)O","Cc1ccc(cc1)O","Cc1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1000,2984,"1,4-DICHLOROBENZENE","106-46-7","Clc1ccc(cc1)Cl","Clc1ccc(cc1)Cl","Clc1ccc(cc1)Cl","Clc1ccc(cc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1001,3067,"4-CHLOROANILINE","106-47-8","Nc1ccc(cc1)Cl","Nc1ccc(cc1)Cl","Nc1ccc(cc1)Cl","Nc1ccc(cc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1002,3041,"4-CHLOROPHENOL","106-48-9","Oc1ccc(cc1)Cl","Oc1ccc(cc1)Cl","Oc1ccc(cc1)Cl","Oc1ccc(cc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1003,3585,"P-TOLUIDINE","106-49-0","Cc1ccc(cc1)N","Cc1ccc(cc1)N","Cc1ccc(cc1)N","Cc1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1004,3125,"1,4-BENZENEDIAMINE","106-50-3","Nc1ccc(cc1)N","Nc1ccc(cc1)N","Nc1ccc(cc1)N","Nc1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1005,3030,"2,5-CYCLOHEXADIENE-1,4-DIONE","106-51-4","O=C1C=CC(C=C1)=O","O=C1C=CC(C=C1)=O","O=C1C=CC(C=C1)=O","O=C1C=CC(C=C1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1006,2324,"2,5-Piperazinedione","106-57-0","O=C1NCC(NC1)=O","O=C1NCC(NC1)=O","O=C1NCC(NC1)=O","O=C1NCC(NC1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1007,2901,"1-PROPANOL, 2-(2-HYDROXYPROPOXY)-","106-62-7","CC(O)COC(C)CO","CC(O)COC(C)CO","CC(O)COC(C)CO","CC(O)COC(C)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1008,3208,"ISOBUTYL ACRYLATE","106-63-8","C=CC(=O)OCC(C)C","C=CC(=O)OCC(C)C","C=CC(=O)OCC(C)C","C=CC(=O)OCC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1009,2738,"DIMETHYL SUCCINATE","106-65-0","COC(=O)CCC(=O)OC","COC(=O)CCC(=O)OC","COC(=O)CCC(=O)OC","COC(=O)CCC(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1010,3764,"3-OCTANONE","106-68-3","CCCCCC(=O)CC","CCCCCC(=O)CC","CCCCCC(=O)CC","CCCCCC(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1011,3264,"METHYL HEXANOATE","106-70-7","CCCCCC(=O)OC","CCCCCC(=O)OC","CCCCCC(=O)OC","CCCCCC(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1012,695,"Decanedioic acid, dimethyl ester","106-79-6","COC(=O)CCCCCCCCC(=O)OC","COC(=O)CCCCCCCCC(=O)OC","COC(=O)CCCCCCCCC(=O)OC","COC(=O)CCCCCCCCC(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1013,2406,"1,2-BUTYLENEOXIDE","106-88-7","CCC1OC1","CCC1OC1","CCC1OC1","CCC1OC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1014,2094,"1-CHLORO-2,3-EPOXYPROPANE","106-89-8","ClCC1OC1","ClCC1OC1","ClCC1OC1","ClCC1OC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1015,1947,"1,2-DIBROMOETHANE","106-93-4","BrCCBr","BrCCBr","BrCCBr","BrCCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1016,2152,"1-BROMOPROPANE","106-94-5","CCCBr","CCCBr","CCCBr","CCCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1017,2083,"3-BROMO-1-PROPENE","106-95-6","C=CCBr","C=CCBr","C=CCBr","C=CCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1018,2054,"1-Propyne, 3-bromo-","106-96-7","C#CCBr","C#CCBr","C#CCBr","C#CCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1019,2216,"N-BUTANE","106-97-8","CCCC","CCCC","CCCC","CCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1020,2379,"1-BUTENE","106-98-9","C=CCC","C=CCC","C=CCC","C=CCC",4,0,0,"NO","NO","Mantain","High Reliability","2284, 2508"]
[1021,2317,"1,3-BUTADIENE","106-99-0","C=CC=C","C=CC=C","C=CC=C","C=CC=C",4,0,0,"NO","NO","Mantain","High Reliability","1022"]
[1022,2317,"1-BUTYNE","107-00-6","C#CCC","C#CCC","C#CCC","C#CCC",4,0,0,"NO","NO","Mantain","High Reliability","1021"]
[1023,2076,"ACROLEIN","107-02-8","C=CC=O","C=CC=O","C=CC=O","C=CC=O",4,0,0,"NO","NO","Mantain","High Reliability","1037"]
[1024,2195,"1-PROPANETHIOL","107-03-9","CCCS","CCCS","CCCS","CCCS",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1025,1948,"1-BROMO-2-CHLOROETHANE","107-04-0","ClCCBr","ClCCBr","ClCCBr","ClCCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1026,2085,"3-CHLOROPROPYLENE","107-05-1","C=CCCl","C=CCCl","C=CCCl",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1027,1951,"1,2-DICHLOROETHANE","107-06-2","ClCCCl","ClCCCl","ClCCCl","ClCCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1028,1973,"2-CHLOROETHANOL","107-07-3","OCCCl","OCCCl","OCCCl","OCCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1029,null,"1-IODOPROPANE","107-08-4","CCCI","CC(C)I","CCCI",null,2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[1030,2196,"PROPYLAMINE","107-10-8","CCCN","CCCN","CCCN","CCCN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1031,2161,"ALLYLAMINE","107-11-9","C=CCN","C=CCN","C=CCN","C=CCN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1032,2099,"PROPIONITRILE","107-12-0","CCC#N","CCC#N","CCC#N","CCC#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1033,2056,"ACRYLONITRILE","107-13-1","C=CC#N","C=CC#N","C=CC#N","C=CC#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1034,1914,"CHLOROACETONITRILE","107-14-2","N#CCCl","N#CCCl","N#CCCl","N#CCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1035,2015,"1,2-DIAMINOETHANE","107-15-3","NCCN","NCCN","NCCN","NCCN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1036,2136,"ALLYL ALCOHOL","107-18-6","C=CCO","C=CCO","C=CCO","C=CCO",4,0,0,"NO","NO","Mantain","High Reliability","1415"]
[1037,2076,"PROPARGYL ALCOHOL","107-19-7","C#CCO","C#CCO","C#CCO","C#CCO",4,0,0,"NO","NO","Mantain","High Reliability","1023"]
[1038,1999,"ETHYLENE GLYCOL","107-21-1","OCCO","OCCO","OCCO","OCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1039,1922,"GLYOXAL","107-22-2","O=CC=O","O=CC=O",null,"O=CC=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1040,2140,"METHYLVINYLETHER","107-25-5","C=COC","C=COC","C=COC","C=COC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1041,1966,"METHYLFORMATE","107-31-3","COC=O","COC=O","COC=O","COC=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1042,2011,"TAURINE","107-35-7","NCCS(=O)(=O)O","NCCS(=O)(=O)O","NCCS(=O)(=O)O","NCCS(=O)(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1043,2001,"Isethionic Acid","107-36-8","O=S(=O)(O)CCO","O=S(=O)(O)CCO","O=S(=O)(O)CCO","O=S(=O)(O)CCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1044,2898,"2-METHYL-2,4-PENTANEDIOL","107-41-5","CC(O)CC(C)(C)O","CC(O)CC(C)(C)O","CC(O)CC(C)(C)O","CC(O)CC(C)(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1045,2532,"BETAINE","107-43-7","C[N+](C)(C)CC(=O)O","C[N+](C)(C)CC(=O)O","C[N+](C)(C)CC(=O)O","C[N+](C)(C)CC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1046,2218,"SARIN","107-44-8","CC(C)OP(C)(=O)F","CC(C)OP(C)(=O)F","CC(C)OP(C)(=O)F","CC(C)OP(C)(=O)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1047,null,"HEXAMETHYLDISILOXANE","107-46-0","C[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)C",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[1048,3846,"TETRAETHYL PYROPHOSPHATE","107-49-3","CCOP(=O)(OCC)OP(=O)(OCC)OCC","CCOP(=O)(OCC)OP(=O)(OCC)OCC","CCOP(=O)(OCC)OP(=O)(OCC)OCC","CCOP(=O)(OCC)OP(=O)(OCC)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1049,null,"OCTAMETHYLTRISILOXANE","107-51-7","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[1050,3840,"DI-N-BUTYL PHOSPHATE","107-66-4","CCCCOP(=O)(O)OCCCC",null,"CCCCOP(=O)(O)OCCCC","CCCCOP(=O)(O)OCCCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1051,2065,"trichlorourethan","107-69-7","CC(Cl)OC(=O)N(Cl)Cl","NC(=O)OCC(Cl)(Cl)Cl","NC(=O)OCC(Cl)(Cl)Cl","NC(=O)OCC(Cl)(Cl)Cl",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[1052,3273,"4-METHOXY-4-METHYL-2-PENTANONE","107-70-0","COC(C)(C)CC(C)=O","COC(C)(C)CC(C)=O","COC(C)(C)CC(C)=O","COC(C)(C)CC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1053,2512,"1-BROMO-3-METHYLBUTANE","107-82-4","CC(C)CCBr","CC(C)CCBr","CC(C)CCBr","CC(C)CCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1054,2858,"2-METHYLPENTANE","107-83-5","CCCC(C)C","CCCC(C)C","CCCC(C)C","CCCC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1055,2484,"2-PENTANONE","107-87-9","CCCC(C)=O","CCCC(C)=O","CCCC(C)=O","CCCC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability","2927"]
[1056,2236,"1,3-BUTANEDIOL","107-88-0","CC(O)CCO","CC(O)CCO","CC(O)CCO","CC(O)CCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1057,2422,"Aldol","107-89-1","CC(O)CC=O","CC(O)CC=O",null,"CC(O)CC=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1058,2070,"Acetamide, 2-cyano-","107-91-5","N#CCC(N)=O","N#CCC(N)=O","N#CCC(N)=O","N#CCC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1059,2414,"BUTYRIC ACID","107-92-6","CCCC(=O)O","CCCC(=O)O","CCCC(=O)O","CCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1060,2333,"CROTONIC ACID","107-93-7","CC=CC(=O)O","CC=CC(=O)O","CC=CC(=O)O","CC=CC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1925, 3420","Stereochemistry removed"]
[1061,2173,"BETA-ALANINE","107-95-9","NCCC(=O)O","NCCC(=O)O","NCCC(=O)O","NCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1062,2172,"N-METHYL GLYCINE","107-97-1","CNCC(=O)O","CNCC(=O)O",null,"CNCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1063,2234,"1-METHOXY-2-PROPANOL","107-98-2","COCC(C)O","COCC(C)O","COCC(C)O","COCC(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1064,2259,"2-DIMETHYLAMINOETHANOL","108-01-0","CN(C)CCO","CN(C)CCO","CN(C)CCO","CN(C)CCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1065,2169,"1-NITROPROPANE","108-03-2","CCC[N+](=O)[O-]","CCC[N+](=O)[O-]","CCC[N+](=O)[O-]","CCC[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1066,2339,"VINYL ACETATE","108-05-4","C=COC(C)=O","C=COC(C)=O","C=COC(C)=O","C=COC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1067,3303,"2,4-DIMETHYLPENTANE","108-08-7","CC(C)CC(C)C","CC(C)CC(C)C","CC(C)CC(C)C","CC(C)CC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1068,2804,"4-METHYL-2-PENTANONE","108-10-1","CC(=O)CC(C)C","CC(=O)CC(C)C","CC(=O)CC(C)C","CC(=O)CC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1069,2885,"4-METHYL-2-PENTANOL","108-11-2","CC(C)CC(C)O","CC(C)CC(C)O","CC(C)CC(C)O","CC(C)CC(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1070,2127,"Propanediamide","108-13-4","NC(=O)CC(N)=O","NC(=O)CC(N)=O","NC(=O)CC(N)=O","NC(=O)CC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1071,2912,"DIISOPROPYLAMINE","108-18-9","CC(C)NC(C)C","CC(C)NC(C)C","CC(C)NC(C)C","CC(C)NC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1072,1979,"Imidodicarbonic diamide","108-19-0","NC(=O)NC(N)=O","NC(=O)NC(N)=O","NC(=O)NC(N)=O","NC(=O)NC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1073,2888,"DI-ISOPROPYL ETHER","108-20-3","CC(C)OC(C)C","CC(C)OC(C)C","CC(C)OC(C)C","CC(C)OC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1074,2499,"ISOPROPYL ACETATE","108-21-4","CC(=O)OC(C)C","CC(=O)OC(C)C","CC(=O)OC(C)C","CC(=O)OC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1075,2343,"ACETIC ANHYDRIDE","108-24-7","CC(=O)OC(C)=O","CC(=O)OC(C)=O","CC(=O)OC(C)=O","CC(=O)OC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1076,2607,"2(5H)-FURANONE, 5-METHYLENE-","108-28-1","C=C1OC(C=C1)=O","C=C1OC(C=C1)=O","C=C1OC(C=C1)=O","C=C1OC(C=C1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1077,2344,"PROPYLENE CARBONATE","108-32-7","CC1OC(OC1)=O","CC1OC(OC1)=O","CC1OC(OC1)=O","CC1OC(OC1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1078,3736,"DIETHYL 3-METHYL-5-PYRAZOLYL PHOSPHATE","108-34-9","CCOP(=O)(OCC)Oc1[nH]nc(c1)C","CCOP(=O)(OCC)Oc1n[nH]c(c1)C","CCOP(=O)(OCC)Oc1n[nH]c(c1)C","CCOP(=O)(OCC)Oc1n[nH]c(c1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1079,2972,"M-DIBROMOBENZENE","108-36-1","Brc1cc(ccc1)Br","Brc1cc(ccc1)Br","Brc1cc(ccc1)Br","Brc1cc(ccc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1080,2977,"M-BROMOCHLOROBENZENE","108-37-2","Clc1cc(ccc1)Br","Clc1cc(ccc1)Br","Clc1cc(ccc1)Br","Clc1cc(ccc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1081,3619,"M-XYLENE","108-38-3","Cc1cc(ccc1)C","Cc1cc(ccc1)C","Cc1cc(ccc1)C","Cc1cc(ccc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1082,3563,"M-CRESOL","108-39-4","Cc1cc(ccc1)O","Cc1cc(ccc1)O","Cc1cc(ccc1)O","Cc1cc(ccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1083,3499,"M-CHLOROTOLUENE","108-41-8","Cc1cc(ccc1)Cl","Cc1cc(ccc1)Cl","Cc1cc(ccc1)Cl","Cc1cc(ccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1084,3068,"3-CHLOROANILINE","108-42-9","Nc1cc(ccc1)Cl","Nc1cc(ccc1)Cl","Nc1cc(ccc1)Cl","Nc1cc(ccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1085,3042,"3-CHLOROPHENOL","108-43-0","Oc1cc(ccc1)Cl","Oc1cc(ccc1)Cl","Oc1cc(ccc1)Cl","Oc1cc(ccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1086,3586,"M-TOLUIDINE","108-44-1","Cc1cc(ccc1)N","Cc1cc(ccc1)N","Cc1cc(ccc1)N","Cc1cc(ccc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1087,3126,"1,3-BENZENEDIAMINE","108-45-2","Nc1cc(ccc1)N","Nc1cc(ccc1)N","Nc1cc(ccc1)N","Nc1cc(ccc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1088,3088,"RESORCINOL","108-46-3","Oc1cc(ccc1)O","Oc1cc(ccc1)O","Oc1cc(ccc1)O","Oc1cc(ccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1089,3589,"2,4-DIMETHYLPYRIDINE","108-47-4","Cc1cc(ncc1)C","Cc1cc(ncc1)C","Cc1cc(ncc1)C","Cc1cc(ncc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1090,3592,"2,6-LUTIDINE","108-48-5","Cc1nc(ccc1)C","Cc1nc(ccc1)C","Cc1nc(ccc1)C","Cc1nc(ccc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1091,4370,"DCIP  (2,2'-OXYBIS-1-CHLOROPROPANE)","108-60-1",null,"[2H]CIP","[2H]CIP","[2H]CIP",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1092,3783,"Metaldehyde (tetramer)","108-62-3","CC1OC(OC(OC(O1)C)C)C","CC1OC(OC(OC(O1)C)C)C","CC1OC(OC(OC(O1)C)C)C","CC1OC(OC(OC(O1)C)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1093,3270,"ETHYL ISOVALERATE","108-64-5","CCOC(=O)CC(C)C","CCOC(=O)CC(C)C","CCOC(=O)CC(C)C","CCOC(=O)CC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1094,2832,"PROPYLENE GLYCOL ME ETHER ACETATE","108-65-6",null,"COCC(C)OC(C)=O","COCC(C)OC(C)=O","COCC(C)OC(C)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1095,4084,"1,3,5-TRIMETHYLBENZENE","108-67-8","Cc1cc(cc(c1)C)C","Cc1cc(cc(c1)C)C","Cc1cc(cc(c1)C)C","Cc1cc(cc(c1)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1096,3643,"3,5-DIMETHYLPHENOL","108-68-9","Cc1cc(cc(c1)C)O","Cc1cc(cc(c1)C)O","Cc1cc(cc(c1)C)O","Cc1cc(cc(c1)C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1097,2954,"1,3,5-TRICHLOROBENZENE","108-70-3","Clc1cc(cc(c1)Cl)Cl","Clc1cc(cc(c1)Cl)Cl","Clc1cc(cc(c1)Cl)Cl","Clc1cc(cc(c1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1098,3093,"1,3,5-TRIHYDROXYBENZENE","108-73-6","Oc1cc(cc(c1)O)O","Oc1cc(cc(c1)O)O","Oc1cc(cc(c1)O)O","Oc1cc(cc(c1)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1099,3675,"2,4,6-COLLIDINE","108-75-8","Cc1cc(nc(c1)C)C","Cc1cc(nc(c1)C)C","Cc1cc(nc(c1)C)C","Cc1cc(nc(c1)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1100,2134,"MELAMINE","108-78-1","Nc1nc(nc(n1)N)N","Nc1nc(nc(n1)N)N","Nc1nc(nc(n1)N)N","Nc1nc(nc(n1)N)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1101,2057,"CYANURIC ACID","108-80-5","O=c1[nH]c([nH]c([nH]1)=O)=O","O=c1[nH]c([nH]c([nH]1)=O)=O","Oc1nc(nc(n1)O)O","Oc1nc(nc(n1)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1102,4204,"2,6-DIMETHYL-4-HEPTANOL","108-82-7","CC(C)CC(O)CC(C)C","CC(C)CC(O)CC(C)C","CC(C)CC(O)CC(C)C","CC(C)CC(O)CC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1103,4177,"2,6-DIMETHYL-4-HEPTANONE","108-83-8","CC(C)CC(=O)CC(C)C","CC(C)CC(=O)CC(C)C","CC(C)CC(=O)CC(C)C","CC(C)CC(=O)CC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1104,3774,"4-METHYL-2-PENTYL ACETATE","108-84-9","CC(=O)OC(C)CC(C)C","CC(=O)OC(C)CC(C)C","CC(=O)OC(C)CC(C)C","CC(=O)OC(C)CC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1105,2747,"BROMOCYCLOHEXANE","108-85-0","BrC1CCCCC1","BrC1CCCCC1","BrC1CCCCC1","BrC1CCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1106,3032,"BROMOBENZENE","108-86-1","Brc1ccccc1","Brc1ccccc1","Brc1ccccc1","Brc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1107,3242,"1-METHYLCYCLOHEXANE","108-87-2","CC1CCCCC1","CC1CCCCC1","CC1CCCCC1","CC1CCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1108,3551,"TOLUENE","108-88-3","Cc1ccccc1","Cc1ccccc1","Cc1ccccc1",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1109,3101,"4-METHYLPYRIDINE","108-89-4","Cc1ccncc1","Cc1ccncc1","Cc1ccncc1","Cc1ccncc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1110,3036,"CHLOROBENZENE","108-90-7","Clc1ccccc1","Clc1ccccc1","Clc1ccccc1","Clc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1111,2844,"CYCLOHEXANAMINE","108-91-8","NC1CCCCC1","NC1CCCCC1","NC1CCCCC1","NC1CCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1112,2808,"CYCLOHEXANOL","108-93-0","OC1CCCCC1","OC1CCCCC1","OC1CCCCC1","OC1CCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1113,2720,"CYCLOHEXANONE","108-94-1","O=C1CCCCC1","O=C1CCCCC1","O=C1CCCCC1","O=C1CCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1114,3086,"PHENOL","108-95-2","Oc1ccccc1","Oc1ccccc1","Oc1ccccc1","Oc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1115,3098,"THIOPHENOL","108-98-5","Sc1ccccc1","Sc1ccccc1","Sc1ccccc1","Sc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1116,3102,"3-METHYLPYRIDINE","108-99-6","Cc1cnccc1","Cc1cnccc1","Cc1cnccc1","Cc1cnccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1117,2621,"3-HYDROXYPYRIDINE","109-00-2","Oc1cnccc1","Oc1cnccc1","Oc1cnccc1","Oc1cnccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1118,2523,"N-METHYLMORPHOLINE","109-02-4","CN1CCOCC1","CN1CCOCC1","CN1CCOCC1","CN1CCOCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1119,2591,"2-BROMOPYRIDINE","109-04-6","Brc1ncccc1","Brc1ncccc1","Brc1ncccc1","Brc1ncccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1120,3103,"2-METHYLPYRIDINE","109-06-8","Cc1ncccc1","Cc1ncccc1","Cc1ncccc1","Cc1ncccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1121,2545,"Piperazine, 2-methyl-","109-07-9","CC1NCCNC1","CC1NCCNC1","CC1NCCNC1","CC1NCCNC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1122,2627,"2-METHYLPYRAZINE","109-08-0","Cc1nccnc1","Cc1nccnc1","Cc1nccnc1","Cc1nccnc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1123,2592,"2-CHLOROPYRIDINE","109-09-1","Clc1ncccc1","Clc1ncccc1","Clc1ncccc1","Clc1ncccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1124,1222,"triethyleneglycoldimethacrylate","109-16-0","OCCOCCOCCO","C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C","C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C","C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[1125,3772,"N-BUTYLBUTYRATE","109-21-7",null,"CCCCOC(=O)CCC","CCCCOC(=O)CCC","CCCCOC(=O)CCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1126,1590,"DIBUTYL SEBACATE","109-43-3","CCCCOC(=O)CCCCCCCCC(=O)OCCCC","CCCCOC(=O)CCCCCCCCC(=O)OCCCC","CCCCOC(=O)CCCCCCCCC(=O)OCCCC","CCCCOC(=O)CCCCCCCCC(=O)OCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1127,1227,"Hexanedioic acid, bis(2-ethoxyethyl) ester","109-44-4","CCOCCOC(=O)CCCCC(=O)OCCOCC","CCOCCOC(=O)CCCCC(=O)OCCOCC","CCOCCOC(=O)CCCCC(=O)OCCOCC","CCOCCOC(=O)CCCCC(=O)OCCOCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1128,2715,"3-HEXYN-2-OL","109-50-2","CCC#CC(C)O","CCC#CC(C)O","CCC#CC(C)O","CCC#CC(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1129,2491,"PENTANOIC ACID","109-52-4","CCCCC(=O)O","CCCCC(=O)O","CCCCC(=O)O","CCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","2156"]
[1130,2803,"ISOBUTYL VINYL ETHER","109-53-5","C=COCC(C)C","C=COCC(C)C","C=COCC(C)C","C=COCC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1131,2543,"1-Propanamine, 3-chloro-N,N-dimethyl-","109-54-6","CN(C)CCCCl","CN(C)CCCCl","CN(C)CCCCl","CN(C)CCCCl",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[1132,2582,"1,3-Propanediamine, N,N-dimethyl-","109-55-7","CN(C)CCCN","CN(C)CCCN","CN(C)CCCN","CN(C)CCCN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1133,2403,"ALLYLTHIOUREA","109-57-9","C=CCNC(N)=S","C=CCNC(N)=S","C=CCNC(N)=S","C=CCNC(N)=S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1134,2568,"2-Isopropoxyethanol","109-59-1","CC(C)OCCO","CC(C)OCCO","CC(C)OCCO","CC(C)OCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1135,2496,"N-PROPYL ACETATE","109-60-4","CCCOC(C)=O","CCCOC(C)=O","CCCOC(C)=O","CCCOC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1136,2111,"1,3-DIBROMOPROPANE","109-64-8","BrCCCBr","BrCCCBr","BrCCCBr","BrCCCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1137,2428,"1-BROMOBUTANE","109-65-9","CCCCBr","CCCCBr","CCCCBr","CCCCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1138,2540,"N-PENTANE","109-66-0","CCCCC","CCCCC","CCCCC","CCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1139,2470,"1-PENTENE","109-67-1","C=CCCC","C=CCCC","C=CCCC","C=CCCC",4,0,0,"NO","NO","Mantain","High Reliability","1140, 2543, 2617"]
[1140,2470,"2-PENTENE","109-68-2","CC=CCC","CC=CCC","CC=CCC","CC=CCC",4,0,0,"NO","NO","Mantain","High Reliability","1139, 2543, 2617","Stereochemistry removed"]
[1141,2431,"1-CHLOROBUTANE","109-69-3","CCCCCl","CCCCCl","CCCCCl","CCCCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1142,2114,"1-CHLORO-3-BROMOPROPANE","109-70-6","ClCCCBr","ClCCCBr","ClCCCBr","ClCCCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1143,2251,"N-BUTYLAMINE","109-73-9","CCCCN","CCCCN","CCCCN","CCCCN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1144,2366,"BUTYRONITRILE","109-74-0","CCCC#N","CCCC#N","CCCC#N","CCCC#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1145,2052,"MALONONITRILE","109-77-3","N#CCC#N","N#CCC#N","N#CCC#N","N#CCC#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1146,2105,"ETHYLENE CYANOHYDRIN","109-78-4","N#CCCO","N#CCCO","N#CCCO","N#CCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1147,2247,"BUTANETHIOL","109-79-5","CCCCS","CCCCS","CCCCS","CCCCS",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1148,2201,"2-(METHYLAMINO)ETHANOL","109-83-1","CNCCO","CNCCO","CNCCO","CNCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1149,2016,"Ethanol, 2-hydrazino-","109-84-2","NNCCO","NNCCO","NNCCO","NNCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1150,2192,"2-METHOXYETHANOL","109-86-4","COCCO","COCCO","COCCO","COCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1151,2191,"DIMETHOXYMETHANE","109-87-5","COCOC","COCOC","COCOC","COCOC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1152,2253,"DIETHYLAMINE","109-89-7","CCNCC","CCNCC","CCNCC","CCNCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1153,2409,"ETHYL VINYL ETHER","109-92-2","C=COCC","C=COCC","C=COCC","C=COCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1154,2331,"DIVINYL ETHER","109-93-3","C=COC=C","C=COC=C","C=COC=C","C=COC=C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1155,2142,"ETHYL FORMATE","109-94-4","CCOC=O","CCOC=O","CCOC=O","CCOC=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1156,2307,"PYRROLE","109-97-7","c1c[nH]cc1","c1c[nH]cc1","c1c[nH]cc1","c1c[nH]cc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1157,2407,"TETRAHYDROFURAN","109-99-9","C1COCC1","C1COCC1","C1COCC1","C1COCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1158,2294,"FURAN","110-00-9","c1cocc1","c1cocc1","c1cocc1","c1cocc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1159,2297,"THIOPHENE","110-02-1","c1cscc1","c1cscc1","c1cscc1","c1cscc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1160,3820,"T-BUTYL-PEROXIDE","110-05-4","CC(C)(C)OOC(C)(C)C","CC(C)(C)OOC(C)(C)C","CC(C)(C)OOC(C)(C)C","CC(C)(C)OOC(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1161,3260,"5-METHYL-2-HEXANONE","110-12-3","CC(=O)CCC(C)C","CC(=O)CCC(C)C","CC(=O)CCC(C)C","CC(=O)CCC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1162,2395,"SUCCINAMIDE","110-14-5","NC(=O)CCC(N)=O","NC(=O)CCC(N)=O","NC(=O)CCC(N)=O","NC(=O)CCC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1163,2347,"BUTANEDIOC ACID","110-15-6",null,"O=C(O)CCC(=O)O","O=C(O)CCC(=O)O","O=C(O)CCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","1629"]
[1164,2295,"MALEIC ACID","110-16-7","O=C(O)C=CC(=O)O","O=C(O)C=CC(=O)O","O=C(O)C=CC(=O)O","O=C(O)C=CC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1165","Stereochemistry removed"]
[1165,2295,"FUMARIC ACID","110-17-8","O=C(O)C=CC(=O)O","O=C(O)C=CC(=O)O","O=C(O)C=CC(=O)O","O=C(O)C=CC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1164","Stereochemistry removed"]
[1166,null,"sec-butylacetate","110-19-0","CCC(C)CC(=O)O","CC(=O)OCC(C)C","CC(=O)OCC(C)C","CC(=O)OCC(C)C",3,1,0,"NO","NO","Manual Check","Verify Name"]
[1167,2440,"ACETONE, SEMICARBAZONE","110-20-3","CC(C)=NNC(N)=O","CC(C)=NNC(N)=O",null,"CC(C)=NNC(N)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1168,710,"ETHYL DECANOATE","110-38-3","CCCCCCCCCC(=O)OCC","CCCCCCCCCC(=O)OCC","CCCCCCCCCC(=O)OCC","CCCCCCCCCC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1169,1225,"DIETHYL SEBACATE","110-40-7","CCOC(=O)CCCCCCCCC(=O)OCC","CCOC(=O)CCCCCCCCC(=O)OCC","CCOC(=O)CCCCCCCCC(=O)OCC","CCOC(=O)CCCCCCCCC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1170,496,"METHYL DECANOATE","110-42-9","CCCCCCCCCC(=O)OC","CCCCCCCCCC(=O)OC","CCCCCCCCCC(=O)OC","CCCCCCCCCC(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1171,3256,"2-HEPTANONE","110-43-0","CCCCCC(C)=O","CCCCCC(C)=O","CCCCCC(C)=O","CCCCCC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1172,3140,"SORBIC ACID","110-44-1","CC=CC=CC(=O)O","CC=CC=CC(=O)O","CC=CC=CC(=O)O","CC=CC=CC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1173,2823,"ISOAMYL FORMATE","110-45-2","CC(C)CCOC=O","CC(C)CCOC=O","CC(C)CCOC=O","CC(C)CCOC=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1174,2509,"2-METHOXYETHYL ACETATE","110-49-6","COCCOC(C)=O","COCCOC(C)=O","COCCOC(C)=O","COCCOC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1175,2381,"1,4-DIBROMOBUTANE","110-52-1","BrCCCCBr","BrCCCCBr","BrCCCCBr","BrCCCCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1176,2511,"1-BROMOPENTANE","110-53-2","CCCCCBr","CCCCCBr","CCCCCBr","CCCCCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1177,2857,"N-HEXANE","110-54-3","CCCCCC","CCCCCC","CCCCCC","CCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1178,2384,"1,4-DICHLOROBUTANE","110-56-5","ClCCCCCl","ClCCCCCl","ClCCCCCl","ClCCCCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1179,2320,"1,4-DICHLORO-2-BUTENE(TRANS)","110-57-6",null,"ClCC=CCCl","ClCC=CCCl","ClCC=CCCl",3,0,1,"NO","NO","Mantain","Medium Reliability","2680, 2913","Stereochemistry removed"]
[1180,2574,"N-PENTYLAMINE","110-58-7","CCCCCN","CCCCCN","CCCCCN","CCCCCN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1181,2286,"SUCCINONITRILE","110-61-2","N#CCCC#N","N#CCCC#N","N#CCCC#N","N#CCCC#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1182,2481,"1-PENTANAL","110-62-3","CCCCC=O","CCCCC=O","CCCCC=O","CCCCC=O",4,0,0,"NO","NO","Mantain","High Reliability","2698"]
[1183,2238,"1,4-BUTANEDIOL","110-63-4","OCCCCO","OCCCCO","OCCCCO","OCCCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1184,2340,"2-BUTYNE-1,4-DIOL","110-65-6","OCC#CCO","OCC#CCO","OCC#CCO","OCC#CCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1185,2573,"1-PENTANETHIOL","110-66-7","CCCCCS","CCCCCS","CCCCCS","CCCCCS",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1186,2575,"METHYLBUTYLAMINE","110-68-9","CCCCNC","CCCCNC","CCCCNC","CCCCNC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1187,2237,"ETHYLENE GLYCOL DIMETHYL ETHER","110-71-4","COCCOC","COCCOC","COCCOC","COCCOC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1188,2415,"PROPYL FORMATE","110-74-7","CCCOC=O","CCCOC=O","CCCOC=O","CCCOC=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1189,2363,"2-CHLOROETHYL VINYL ETHER","110-75-8","C=COCCCl","C=COCCCl","C=COCCCl","C=COCCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1190,2232,"2-Ethoxyethanol","110-80-5","CCOCCO","CCOCCO","CCOCCO","CCOCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1191,2250,"DIETHYL DISULFIDE","110-81-6","CCSSCC","CCSSCC","CCSSCC","CCSSCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1192,2766,"CYCLOHEXANE","110-82-7","C1CCCCC1","C1CCCCC1","C1CCCCC1","C1CCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1193,2708,"CYCLOHEXENE","110-83-8","C=1CCCCC1","C=1CCCCC1","C=1CCCCC1","C=1CCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1194,2219,"PIPERAZINE","110-85-0","C1NCCNC1","C1NCCNC1","C1NCCNC1","C1NCCNC1",4,0,0,"NO","NO","Mantain","High Reliability","1585"]
[1195,2614,"PYRIDINE","110-86-1","c1ccncc1","c1ccncc1","c1ccncc1","c1ccncc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1196,2149,"1,3,5-TRIOXANE","110-88-3","C1OCOCO1","C1OCOCO1","C1OCOCO1","C1OCOCO1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1197,2520,"PIPERIDINE","110-89-4","C1CCNCC1","C1CCNCC1","C1CCNCC1","C1CCNCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1198,2445,"MORPHOLINE","110-91-8","C1NCCOC1","C1NCCOC1","C1NCCOC1","C1NCCOC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1199,2683,"PENTANEDIOC ACID","110-94-1",null,"O=C(O)CCCC(=O)O","O=C(O)CCCC(=O)O","O=C(O)CCCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1200,null,"DIISOBUTYLAMINE","110-96-3","CC(C)CNCC(C)C","CCC(C)NC(C)CC","CC(C)CNCC(C)C","CC(C)CNCC(C)C",3,1,0,"NO","YES","Eliminate","-",null,"Stereochemistry removed, Missing/ambiguous"]
[1201,2918,"DIISOPROPANOLAMINE","110-97-4","CC(O)CNCC(C)O","CC(O)CNCC(C)O","CC(O)CNCC(C)O","CC(O)CNCC(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1202,2352,"Acetic acid, 2,2'-oxybis-","110-99-6","O=C(O)COCC(=O)O","O=C(O)COCC(=O)O","O=C(O)COCC(=O)O","O=C(O)COCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1203,4179,"METHYL OCTANOATE","111-11-5","CCCCCCCC(=O)OC","CCCCCCCC(=O)OC","CCCCCCCC(=O)OC","CCCCCCCC(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1204,3763,"2-OCTANONE","111-13-7","CCCCCCC(C)=O","CCCCCCC(C)=O","CCCCCCC(C)=O","CCCCCCC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1205,3262,"HEPTANOIC ACID","111-14-8","CCCCCCC(=O)O","CCCCCCC(=O)O","CCCCCCC(=O)O","CCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1206,2829,"ethoxyethylacetate","111-15-9","CCOC(C)CC(=O)O","CCOCCOC(C)=O","CCOCCOC(C)=O","CCOCCOC(C)=O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[1207,3226,"PIMELIC ACID","111-16-0","O=C(O)CCCCCC(=O)O","O=C(O)CCCCCC(=O)O","O=C(O)CCCCCC(=O)O","O=C(O)CCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1208,2740,"Propanoic acid, 3,3'-thiobis-","111-17-1","O=C(O)CCSCCC(=O)O","O=C(O)CCSCCC(=O)O","O=C(O)CCSCCC(=O)O","O=C(O)CCSCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1209,199,"DECANEDIOIC ACID","111-20-6","O=C(O)CCCCCCCCC(=O)O","O=C(O)CCCCCCCCC(=O)O","O=C(O)CCCCCCCCC(=O)O","O=C(O)CCCCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1210,2790,"triethyleneglycol,dinitrate","111-22-8","OCCOCCOCCO","O=[N+]([O-])OCCOCCOCCO[N+](=O)[O-]",null,"O=[N+]([O-])OCCOCCOCCO[N+](=O)[O-]",2,1,1,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[1211,2839,"1-BROMOHEXANE","111-25-1","CCCCCCBr","CCCCCCBr","CCCCCCBr","CCCCCCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1212,2907,"N-HEXYLAMINE","111-26-2","CCCCCCN","CCCCCCN","CCCCCCN","CCCCCCN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1213,2872,"1-HEXANOL","111-27-3","CCCCCCO","CCCCCCO","CCCCCCO","CCCCCCO",4,0,0,"NO","NO","Mantain","High Reliability","4410"]
[1214,2800,"BUTYL VINYL ETHER","111-34-2","C=COCCCC","C=COCCCC","C=COCCCC","C=COCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1215,2270,"DIETHYLENETRIAMINE","111-40-0","NCCNCCN","NCCNCCN","NCCNCCN","NCCNCCN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1216,2267,"2-(2-AMINOETHYLAMINO)ETHANOL","111-41-1","NCCNCCO","NCCNCCO","NCCNCCO","NCCNCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1217,2261,"DIETHANOLAMINE","111-42-2","OCCNCCO","OCCNCCO","OCCNCCO","OCCNCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1218,2876,"DI(N-PROPYL) ETHER","111-43-3",null,"CCCOCCC","CCCOCCC","CCCOCCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1219,2386,"BIS(2-CHLOROETHYL) ETHER","111-44-4","ClCCOCCCl","ClCCOCCCl","ClCCOCCCl","ClCCOCCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1220,2242,"DIETHYLENE GLYCOL","111-46-6","OCCOCCO","OCCOCCO","OCCOCCO","OCCOCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1221,2240,"2,2'-THIOBISETHANOL","111-48-8","OCCSCCO","OCCSCCO","OCCSCCO","OCCSCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1222,2842,"HEXAMETHYLENEIMINE","111-49-9","C1CCNCCC1","C1CCNCCC1","C1CCNCCC1","C1CCNCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1223,2736,"ethyleneglycoldiacetate","111-55-7","OCCO","CC(=O)OCCOC(C)=O","CC(=O)OCCOC(C)=O","CC(=O)OCCOC(C)=O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[1224,3792,"OCTANE","111-65-9","CCCCCCCC","CCCCCCCC","CCCCCCCC","CCCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1225,3754,"1-OCTENE","111-66-0","C=CCCCCCC","C=CCCCCCC","C=CCCCCCC","C=CCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1226,3128,"ADIPONITRILE","111-69-3","N#CCCCCC#N","N#CCCCCC#N","N#CCCCCC#N","N#CCCCCC#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1227,3307,"1-HEPTANOL","111-70-6","CCCCCCCO","CCCCCCCO","CCCCCCCO","CCCCCCCO",4,0,0,"NO","NO","Mantain","High Reliability","4871"]
[1228,3255,"HEPTANAL","111-71-7","CCCCCCC=O","CCCCCCC=O","CCCCCCC=O","CCCCCCC=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1229,2914,"Ethanol, 2-(butylamino)-","111-75-1","CCCCNCCO","CCCCNCCO","CCCCNCCO","CCCCNCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1230,2893,"2-BUTOXYETHANOL","111-76-2","CCCCOCCO","CCCCOCCO","CCCCOCCO","CCCCOCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1231,2569,"DIETHYLENE GLYCOL MONOMETHYL ETHER","111-77-3","COCCOCCO","COCCOCCO","COCCOCCO","COCCOCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1232,3785,"1-BROMOOCTANE","111-83-1","CCCCCCCCBr","CCCCCCCCBr","CCCCCCCCBr","CCCCCCCCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1233,4191,"N-NONANE","111-84-2","CCCCCCCCC","CCCCCCCCC","CCCCCCCCC","CCCCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1234,3786,"1-CHLOROOCTANE","111-85-3","CCCCCCCCCl","CCCCCCCCCl","CCCCCCCCCl","CCCCCCCCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1235,3830,"N-OCTYLAMINE","111-86-4","CCCCCCCCN","CCCCCCCCN","CCCCCCCCN","CCCCCCCCN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1236,3800,"1-OCTANOL","111-87-5","CCCCCCCCO","CCCCCCCCO","CCCCCCCCO","CCCCCCCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1237,2900,"DIETHYLENE GLYCOL MONOETHYL ETHER","111-90-0","CCOCCOCCO","CCOCCOCCO","CCOCCOCCO","CCOCCOCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1238,2473,"BIS(2-CHLOROETHOXY)METHANE","111-91-1","ClCCOCOCCCl","ClCCOCOCCCl","ClCCOCOCCCl","ClCCOCOCCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1239,3832,"DIBUTYLAMINE","111-92-2","CCCCNCCCC","CCCCNCCCC","CCCCNCCCC","CCCCNCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1240,2902,"2-METHOXYETHYLETHER","111-96-6","COCCOCCOC","COCCOCCOC","COCCOCCOC","COCCOCCOC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1241,4178,"NONANOIC ACID","112-05-0","CCCCCCCCC(=O)O","CCCCCCCCC(=O)O","CCCCCCCCC(=O)O","CCCCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1242,3776,"2-butoxyethanolacetate","112-07-2","CCCCOCCO","CCCCOCCOC(C)=O","CCCCOCCOC(C)=O","CCCCOCCOC(C)=O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[1243,3782,"CARBITOL ACETATE","112-15-2","CCOCCOCCOC(C)=O","CCOCCOCCOC(C)=O","CCOCCOCCOC(C)=O","CCOCCOCCOC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1244,2927,"TRIETHYLENETETRAAMINE","112-24-3","NCCNCCNCCN","NCCNCCNCCN","NCCNCCNCCN","NCCNCCNCCN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1245,3817,"ETHANOL, 2-(HEXYLOXY)-","112-25-4","CCCCCCOCCO","CCCCCCOCCO","CCCCCCOCCO","CCCCCCOCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1246,2771,"1,2-BIS(2-CHLOROETHOXY)ETHANE","112-26-5","ClCCOCCOCCCl","ClCCOCCOCCCl","ClCCOCCOCCCl","ClCCOCCOCCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1247,2903,"TRIETHYLENE GLYCOL","112-27-6","OCCOCCOCCO","OCCOCCOCCO","OCCOCCOCCO","OCCOCCOCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1248,236,"1-DECANOL","112-30-1","CCCCCCCCCCO","CCCCCCCCCCO","CCCCCCCCCCO","CCCCCCCCCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1249,3822,"DIETHYLENE GLYCOL MONO-N-BUTYL ETHER","112-34-5","CCCCOCCOCCO","CCCCOCCOCCO","CCCCOCCOCCO","CCCCOCCOCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1250,3328,"methoxytriethyleneglycol","112-35-6","COC(O)COCCOCCO","COCCOCCOCCO",null,"COCCOCCOCCO",2,1,1,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[1251,null,"BIS (2-ETHOXY ETHYL)  ETHER","112-36-7","BIS","BIS","BIS","BIS",4,0,0,"NO","NO","Eliminate","-",null,"Organic counterion, Unusual elements, Inorganic"]
[1252,495,"UNDECANOIC ACID","112-37-8","CCCCCCCCCCC(=O)O","CCCCCCCCCCC(=O)O","CCCCCCCCCCC(=O)O","CCCCCCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1253,477,"UNDECYLENIC ACID","112-38-9","C=CCCCCCCCCC(=O)O","C=CCCCCCCCCC(=O)O","C=CCCCCCCCCC(=O)O","C=CCCCCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1254,711,"DODECANE","112-40-3","CCCCCCCCCCCC","CCCCCCCCCCCC","CCCCCCCCCCCC","CCCCCCCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1255,240,"1,10-Decanediol","112-47-0","OCCCCCCCCCCO","OCCCCCCCCCCO","OCCCCCCCCCCO","OCCCCCCCCCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1256,239,"1,2-DIBUTOXYETHANE","112-48-1","CCCCOCCOCCCC","CCCCOCCOCCCC","CCCCOCCOCCCC","CCCCOCCOCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1257,3826,"ethoxytriethyleneglycol","112-50-5","CCOC(O)COCCOCCO","CCOCCOCCOCCO","CCOCCOCCOCCO","CCOCCOCCOCCO",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[1258,712,"DODECANOL","112-53-8","CCCCCCCCCCCCO","CCCCCCCCCCCCO","CCCCCCCCCCCCO","CCCCCCCCCCCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1259,3847,"TETRAETHYLENEPENTAMINE","112-57-2","NCCNCCNCCNCCN","NCCNCCNCCNCCN","NCCNCCNCCNCCN","NCCNCCNCCNCCN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1260,241,"ETHANOL, 2- 2-(HEXYLOXY)ETHOXY -","112-59-4",null,"CCCCCCOCCOCCO","CCCCCCOCCOCCO","CCCCCCOCCOCCO",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1261,3828,"TETRAETHYLENE GLYCOL","112-60-7","OCCOCCOCCOCCO","OCCOCCOCCOCCO","OCCOCCOCCOCCO","OCCOCCOCCOCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1262,1081,"Dodine","112-65-2","CCCCCCCCCCCCN=C(N)N","CCCCCCCCCCCCN=C(N)N","CCCCCCCCCCCCNC(=N)N","CCCCCCCCCCCCNC(=N)N",4,0,0,"NO","NO","Mantain","High Reliability","3209","Differences in counterions"]
[1263,1232,"1-TETRADECANOL","112-72-1","CCCCCCCCCCCCCCO","CCCCCCCCCCCCCCO","CCCCCCCCCCCCCCO","CCCCCCCCCCCCCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1264,713,"DIETHYLENE GLYCOL DIBUTYL ETHER","112-73-2","CCCCOCCOCCOCCCC","CCCCOCCOCCOCCCC","CCCCOCCOCCOCCCC","CCCCOCCOCCOCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1265,1816,"DOCOSANOIC ACID","112-85-6","CCCCCCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1266,1599,"1-OCTADECANOL","112-92-5","CCCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1267,1725,"EICOSANE","112-95-8","CCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1268,4366,"GUANIDINE","113-00-8","N=C(N)N","N=C(N)N","N=C(N)N","N=C(N)N",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[1269,440,"PROPOXUR","114-26-1","CNC(=O)Oc1c(cccc1)OC(C)C","CNC(=O)Oc1c(cccc1)OC(C)C","CNC(=O)Oc1c(cccc1)OC(C)C",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1270,2109,"PROPENE","115-07-1","C=CC","C=CC","C=CC","C=CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1271,1998,"DIMETHYL ETHER","115-10-6","COC","COC","COC","COC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1272,2380,"ISOBUTENE","115-11-7","C=C(C)C","C=C(C)C","C=C(C)C","C=C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1273,2487,"3-Buten-2-ol, 2-methyl-","115-18-4","C=CC(C)(C)O","C=CC(C)(C)O","C=CC(C)(C)O","C=CC(C)(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1274,2670,"2-METHYL-3-BUTYN-2-OL","115-19-5","C#CC(C)(C)O","C#CC(C)(C)O","C#CC(C)(C)O","C#CC(C)(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1275,1936,"2,2,2-TRICHLOROETHANOL","115-20-8","OCC(Cl)(Cl)Cl","OCC(Cl)(Cl)Cl","OCC(Cl)(Cl)Cl","OCC(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1276,3329,"2,2-BIS(ETHYLSULFONYL)PROPANE","115-24-2","CCS(=O)(=O)C(C)(C)S(=O)(=O)CC","CCS(=O)(=O)C(C)(C)S(=O)(=O)CC","CCS(=O)(=O)C(C)(C)S(=O)(=O)CC","CCS(=O)(=O)C(C)(C)S(=O)(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1277,2215,"PERFLUOROCYCLOBUTANE","115-25-3","FC1(C(C(C1(F)F)(F)F)(F)F)F","FC1(C(C(C1(F)F)(F)F)(F)F)F","FC1(C(C(C1(F)F)(F)F)(F)F)F","FC1(C(C(C1(F)F)(F)F)(F)F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1278,2266,"DIMEFOX","115-26-4","CN(C)P(=O)(F)N(C)C","CN(C)P(=O)(F)N(C)C","CN(C)P(=O)(F)N(C)C","CN(C)P(=O)(F)N(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1279,4223,"CHLORENDIC ACID","115-28-6","O=C(O)C1C2(C(=C(C(C1C(=O)O)(C2(Cl)Cl)Cl)Cl)Cl)Cl","O=C(O)C1C2(C(=C(C(C1C(=O)O)(C2(Cl)Cl)Cl)Cl)Cl)Cl","O=C(O)C1C2(C(=C(C(C1C(=O)O)(C2(Cl)Cl)Cl)Cl)Cl)Cl","O=C(O)C1C2(C(=C(C(C1C(=O)O)(C2(Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1280,4231,"ENDOSULFAN","115-29-7","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl",null,3,0,1,"NO","NO","Mantain","Medium Reliability","2776, 4558"]
[1281,1257,"DICOFOL","115-32-2","OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C(Cl)(Cl)Cl","OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C(Cl)(Cl)Cl","OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C(Cl)(Cl)Cl","OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1282,1637,"PARAMORPHINE","115-37-7","COC=1C2C34C(=CC1)C(N(CC3)C)Cc5c4c(c(cc5)OC)O2","COC=1C2C34C(=CC1)C(N(CC3)C)Cc5c4c(c(cc5)OC)O2","COC=1C2C34C(=CC1)C(N(CC3)C)Cc5c4c(c(cc5)OC)O2","COC=1C2C34C(=CC1)C(N(CC3)C)Cc5c4c(c(cc5)OC)O2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1283,1001,"PHENALLYMAL","115-43-5","C=CCC1(C(NC(NC1=O)=O)=O)c2ccccc2","C=CCC1(C(NC(NC1=O)=O)=O)c2ccccc2","C=CCC1(C(NC(NC1=O)=O)=O)c2ccccc2","C=CCC1(C(NC(NC1=O)=O)=O)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1284,null,"barbituricacid,5-et-5-amyl","115-58-2",null,"CCCCCC1(C(NC(NC1=O)=O)=O)CC",null,"CCCCCC1(C(NC(NC1=O)=O)=O)CC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[1285,2260,"2-amino-2-methylpropanediol","115-69-5","CC(C)(N)C(O)O","CC(N)(CO)CO","CC(N)(CO)CO","CC(N)(CO)CO",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[1286,2579,"1,3-Propanediol, 2-amino-2-ethyl-","115-70-8","CCC(N)(CO)CO","CCC(N)(CO)CO","CCC(N)(CO)CO","CCC(N)(CO)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1287,3327,"2,2-DIETHYL-1,3-PROPANEDIOL","115-76-4","CCC(CC)(CO)CO","CCC(CC)(CO)CO","CCC(CC)(CO)CO","CCC(CC)(CO)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1288,2570,"PENTAERYTHRITOL","115-77-5","OCC(CO)(CO)CO","OCC(CO)(CO)CO","OCC(CO)(CO)CO","OCC(CO)(CO)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1289,1548,"TRIPHENYLPHOSPHATE","115-86-6","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1290,1711,"octyldiphenylphosphate","115-88-8",null,"CCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2",null,"CCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[1291,1008,"diphenylmethylphosphate","115-89-9","O=P(O)(O)OC(c1ccccc1)c2ccccc2","COP(=O)(Oc1ccccc1)Oc2ccccc2",null,"COP(=O)(Oc1ccccc1)Oc2ccccc2",2,1,1,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[1292,462,"FENSULFOTHION","115-90-2","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1293,2775,"TRI-2-CHLOROETHYL PHOSPHATE","115-96-8",null,"O=P(OCCCl)(OCCCl)OCCCl","O=P(OCCCl)(OCCCl)OCCCl","O=P(OCCCl)(OCCCl)OCCCl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1294,2871,"ETHOATE METHYL","116-01-8","CCNC(=O)CSP(=S)(OC)OC","CCNC(=O)CSP(=S)(OC)OC","CCNC(=O)CSP(=S)(OC)OC","CCNC(=O)CSP(=S)(OC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1295,3246,"ALDICARB","116-06-3","CNC(=O)ON=CC(C)(C)SC","CNC(=O)ON=CC(C)(C)SC","CNC(=O)ON=CC(C)(C)SC","CNC(=O)ON=CC(C)(C)SC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1296,2145,"HYDROXYACETONE","116-09-6","CC(=O)CO","CC(=O)CO","CC(=O)CO","CC(=O)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1297,2412,"ISOPROPENYL METHYL ETHER","116-11-0","C=C(C)OC","C=C(C)OC","C=C(C)OC","C=C(C)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1298,1898,"TETRAFLUOROETHYLENE","116-14-3","FC(F)=C(F)F","FC(F)=C(F)F","FC(F)=C(F)F","FC(F)=C(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1299,2713,"1-(Hydroxymethyl)-5,5-dimethylhydantoin","116-25-6","CC1(N(C(NC1=O)=O)CO)C","CC1(N(C(NC1=O)=O)CO)C","CC1(N(C(NC1=O)=O)CO)C","CC1(N(C(NC1=O)=O)CO)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1300,860,"TETRADIFON","116-29-0","O=S(=O)(c1ccc(cc1)Cl)c2c(cc(c(c2)Cl)Cl)Cl","O=S(=O)(c1ccc(cc1)Cl)c2c(cc(c(c2)Cl)Cl)Cl","O=S(=O)(c1ccc(cc1)Cl)c2c(cc(c(c2)Cl)Cl)Cl","O=S(=O)(c1ccc(cc1)Cl)c2c(cc(c(c2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1301,11,"Sulfapyrazine","116-44-9","Nc1ccc(cc1)S(=O)(=O)Nc2nccnc2","Nc1ccc(cc1)S(=O)(=O)Nc2nccnc2","Nc1ccc(cc1)S(=O)(=O)Nc2nccnc2","Nc1ccc(cc1)S(=O)(=O)Nc2nccnc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1302,3519,"Benzenesulfonamide, 4-amino-N-cyano-","116-47-2","N#CNS(=O)(=O)c1ccc(cc1)N","N#CNS(=O)(=O)c1ccc(cc1)N","N#CNS(=O)(=O)c1ccc(cc1)N","N#CNS(=O)(=O)c1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1303,2494,"BUTANOIC ACID, 2-METHYL-","116-53-0","CCC(C)C(=O)O","CCC(C)C(=O)O","CCC(C)C(=O)O","CCC(C)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1304,1262,"1-AMINO-4-HYDROXYANTHRAQUINONE","116-85-8","Nc1c2c(c(cc1)O)C(c3c(C2=O)cccc3)=O","Nc1c2c(c(cc1)O)C(c3c(C2=O)cccc3)=O","Nc1c2c(c(cc1)O)C(c3c(C2=O)cccc3)=O","Nc1c2c(c(cc1)O)C(c3c(C2=O)cccc3)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1305,1252,"1,5-anthraquinonedisulfonicacid","117-14-6","O=C1c2c(=CC=C1)cc3C(C(=C(C=c3c2)S(=O)(=O)O)S(=O)(=O)O)=O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)cccc2S(=O)(=O)O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)cccc2S(=O)(=O)O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)cccc2S(=O)(=O)O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[1306,3166,"2,3,5,6-TETRACHLORONITROBENZENE","117-18-0","O=[N+]([O-])c1c(c(cc(c1Cl)Cl)Cl)Cl","O=[N+]([O-])c1c(c(cc(c1Cl)Cl)Cl)Cl","O=[N+]([O-])c1c(c(cc(c1Cl)Cl)Cl)Cl","O=[N+]([O-])c1c(c(cc(c1Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1307,1132,"DIPHENYLACETIC ACID","117-34-0","O=C(O)C(c1ccccc1)c2ccccc2","O=C(O)C(c1ccccc1)c2ccccc2","O=C(O)C(c1ccccc1)c2ccccc2","O=C(O)C(c1ccccc1)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1308,1271,"QUERCETIN","117-39-5","O=c1c2c(oc(c1O)-c3cc(c(cc3)O)O)cc(O)cc2O","O=c1c2c(oc(c1O)-c3cc(c(cc3)O)O)cc(O)cc2O","O=c1c2c(oc(c1O)-c3cc(c(cc3)O)O)cc(O)cc2O","O=c1c2c(oc(c1O)-c3cc(c(cc3)O)O)cc(O)cc2O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1309,1260,"2-AMINOANTHRAQUINONE","117-79-3","Nc1cc2c(cc1)C(c3c(C2=O)cccc3)=O","Nc1cc2c(cc1)C(c3c(C2=O)cccc3)=O","Nc1cc2c(cc1)C(c3c(C2=O)cccc3)=O","Nc1cc2c(cc1)C(c3c(C2=O)cccc3)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1310,254,"DICHLONE","117-80-6","O=C1c2c(C(C(=C1Cl)Cl)=O)cccc2","O=C1c2c(C(C(=C1Cl)Cl)=O)cccc2","O=C1c2c(C(C(=C1Cl)Cl)=O)cccc2","O=C1c2c(C(C(=C1Cl)Cl)=O)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1311,1851,"BIS(2-ETHYLHEXYL)PHTHALATE","117-81-7","CCCCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1312,1192,"bis(methoxyethyl)phthalate","117-82-8","COC(C)OC(=O)c1c(cccc1)C(=O)OC(C)OC","COCCOC(=O)c1c(cccc1)C(=O)OCCOC","COCCOC(=O)c1c(cccc1)C(=O)OCCOC","COCCOC(=O)c1c(cccc1)C(=O)OCCOC",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[1313,1850,"dioctylphthalate","117-84-0","CCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC","CCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC","CCCCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC","CCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[1314,null,"trifluorperazine","117-89-5",null,"CN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3",null,"CN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3",2,0,2,"NO","NO","Manual Check","Verify Name"]
[1315,94,"GUANOSINE","118-00-3","Nc1[nH]c(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)=O","Nc1[nH]c2c(c(n1)=O)ncn2C3C(C(C(O3)CO)O)O","Nc1[nH]c2c(c(n1)=O)ncn2C3C(C(C(O3)CO)O)O","Nc1[nH]c2c(c(n1)=O)ncn2C3C(C(C(O3)CO)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1316,1736,"HYDRASTINE","118-08-1","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3cc5OCOc5c4)C)OC","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3cc5OCOc5c4)C)OC","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3cc5OCOc5c4)C)OC","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3cc5OCOc5c4)C)OC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1317,1638,"CINCHONINE","118-10-5","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",4,0,0,"NO","NO","Mantain","High Reliability","1862","Stereochemistry removed"]
[1318,340,"2-NAPHTHYLAMINE-5,7-DISULFONIC ACID","118-33-2","Nc1cc2c(cc1)c(S(=O)(=O)O)cc(S(=O)(=O)O)c2","Nc1cc2c(cc1)c(S(=O)(=O)O)cc(S(=O)(=O)O)c2","Nc1cc2c(cc1)c(S(=O)(=O)O)cc(S(=O)(=O)O)c2","Nc1cc2c(cc1)c(S(=O)(=O)O)cc(S(=O)(=O)O)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1319,590,"1-NAPHTHALENAMINE, N-ETHYL-","118-44-5","CCNc1c2c(ccc1)cccc2","CCNc1c2c(ccc1)cccc2","CCNc1c2c(ccc1)cccc2","CCNc1c2c(ccc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1320,2626,"1,3-DICHLORO-5,5-DIMETHYLHYDANTOIN","118-52-5","CC1(N(C(N(C1=O)Cl)=O)Cl)C","CC1(N(C(N(C1=O)Cl)=O)Cl)C","CC1(N(C(N(C1=O)Cl)=O)Cl)C","CC1(N(C(N(C1=O)Cl)=O)Cl)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1321,977,"PHENYL 2-HYDROXYBENZOATE","118-55-8","O=C(Oc1ccccc1)c2c(cccc2)O","O=C(Oc1ccccc1)c2c(cccc2)O","O=C(Oc1ccccc1)c2c(cccc2)O","O=C(Oc1ccccc1)c2c(cccc2)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1322,3092,"4H-PYRAN-4-ONE, 3-HYDROXY-2-METHYL-","118-71-8","Cc1c(c(cco1)=O)O","Cc1c(c(cco1)=O)O","Cc1c(c(cco1)=O)O","Cc1c(c(cco1)=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1323,2707,"HEXACHLOROBENZENE","118-74-1","Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1324,2705,"CHLORANIL","118-75-2","O=C1C(=C(C(C(=C1Cl)Cl)=O)Cl)Cl","O=C1C(=C(C(C(=C1Cl)Cl)=O)Cl)Cl","O=C1C(=C(C(C(=C1Cl)Cl)=O)Cl)Cl","O=C1C(=C(C(C(=C1Cl)Cl)=O)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1325,2947,"2,4,6-TRIBROMOPHENOL","118-79-6","Oc1c(cc(cc1Br)Br)Br","Oc1c(cc(cc1Br)Br)Br","Oc1c(cc(cc1Br)Br)Br","Oc1c(cc(cc1Br)Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1326,3347,"4-CHLORO-1-NITRO-2(TRIFLUOROMETHYL)BENZENE","118-83-2","O=[N+]([O-])c1c(cc(cc1)Cl)C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)Cl)C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)Cl)C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)Cl)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1327,3956,"O-TOLUIC ACID","118-90-1","Cc1c(cccc1)C(=O)O","Cc1c(cccc1)C(=O)O","Cc1c(cccc1)C(=O)O","Cc1c(cccc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1328,3397,"2-CHLOROBENZOIC ACID","118-91-2","O=C(O)c1c(cccc1)Cl","O=C(O)c1c(cccc1)Cl","O=C(O)c1c(cccc1)Cl","O=C(O)c1c(cccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1329,3531,"2-AMINOBENZOIC ACID","118-92-3","Nc1c(cccc1)C(=O)O","Nc1c(cccc1)C(=O)O","Nc1c(cccc1)C(=O)O","Nc1c(cccc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1330,3410,"2,4,6-TRINITROTOLUENE","118-96-7","Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1331,1176,"PYRIDAPHENTHION","119-12-0","CCOP(=S)(OCC)Oc1nn(c(cc1)=O)-c2ccccc2","CCOP(=S)(OCC)Oc1nn(c(cc1)=O)-c2ccccc2","CCOP(=S)(OCC)Oc1nn(c(cc1)=O)-c2ccccc2","CCOP(=S)(OCC)Oc1nn(c(cc1)=O)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1332,952,"P-(2,4-DINITROANILINE)PHENOL","119-15-3","O=[N+]([O-])c1cc(c(cc1)Nc2ccc(cc2)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)Nc2ccc(cc2)O)[N+](=O)[O-]",null,"O=[N+]([O-])c1cc(c(cc1)Nc2ccc(cc2)O)[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1333,null,"2-naphthalenesulfonicacid,4-hydroxy-6-(phenyla","119-19-7",null,"O=S(=O)(O)c1cc2c(c(c1)O)cc(Nc3ccccc3)cc2",null,"O=S(=O)(O)c1cc2c(c(c1)O)cc(Nc3ccccc3)cc2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[1334,3458,"2,4-DINITROANISOLE","119-27-7","COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1335,3539,"4-METHYL-2-NITROPHENOL","119-33-5","Cc1cc(c(cc1)O)[N+](=O)[O-]","Cc1cc(c(cc1)O)[N+](=O)[O-]","Cc1cc(c(cc1)O)[N+](=O)[O-]","Cc1cc(c(cc1)O)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1336,3961,"METHYL SALICYLATE","119-36-8","COC(=O)c1c(cccc1)O","COC(=O)c1c(cccc1)O","COC(=O)c1c(cccc1)O","COC(=O)c1c(cccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1337,178,"ISOLAN","119-38-0","Cc1nn(c(c1)OC(=O)N(C)C)C(C)C","Cc1nn(c(c1)OC(=O)N(C)C)C(C)C","Cc1nn(c(c1)OC(=O)N(C)C)C(C)C","Cc1nn(c(c1)OC(=O)N(C)C)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1338,1835,"BIS (2-HYDROXY-3TERT-BUTYL-5-METHYLPHENYL) METHA","119-47-1",null,"Cc1cc(c(c(c1)Cc2c(c(cc(c2)C)C(C)(C)C)O)O)C(C)(C)C","Cc1cc(c(c(c1)Cc2c(c(cc(c2)C)C(C)(C)C)O)O)C(C)(C)C","Cc1cc(c(c(c1)Cc2c(c(cc(c2)C)C(C)(C)C)O)O)C(C)(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1339,1724,"Dimorpholamine","119-48-2","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1340,1130,"BENZOIN","119-53-9","O=C(c1ccccc1)C(O)c2ccccc2","O=C(c1ccccc1)C(O)c2ccccc2","O=C(c1ccccc1)C(O)c2ccccc2","O=C(c1ccccc1)C(O)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability","2221"]
[1341,984,"BENZENEMETHANOL, 4-CHLORO-.ALPHA.-PHENYL-","119-56-2","OC(c1ccccc1)c2ccc(cc2)Cl","OC(c1ccccc1)c2ccc(cc2)Cl","OC(c1ccccc1)c2ccc(cc2)Cl","OC(c1ccccc1)c2ccc(cc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1342,976,"BENZOPHENONE","119-61-9","O=C(c1ccccc1)c2ccccc2","O=C(c1ccccc1)c2ccccc2","O=C(c1ccccc1)c2ccccc2","O=C(c1ccccc1)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1343,49,"TETRALIN","119-64-2","c1cc2c(cc1)CCCC2","c1cc2c(cc1)CCCC2","c1cc2c(cc1)CCCC2","c1cc2c(cc1)CCCC2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1344,4249,"ISOQUINOLINE","119-65-3","c1cc2c(cc1)cncc2","c1cc2c(cc1)cncc2","c1cc2c(cc1)cncc2","c1cc2c(cc1)cncc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1345,3996,"Benzoic acid, 2-(methylamino)-","119-68-6","CNc1c(cccc1)C(=O)O","CNc1c(cccc1)C(=O)O","CNc1c(cccc1)C(=O)O","CNc1c(cccc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1346,4283,"2H-1-Benzopyran-2-one, 3,4-dihydro-","119-84-6","O=C1Oc2c(CC1)cccc2","O=C1Oc2c(CC1)cccc2","O=C1Oc2c(CC1)cccc2","O=C1Oc2c(CC1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1347,1168,"3,3'-DIMETHOXYBENZIDINE","119-90-4","COc1c(ccc(c1)-c2cc(c(cc2)N)OC)N","COc1c(ccc(c1)-c2cc(c(cc2)N)OC)N","COc1c(ccc(c1)-c2cc(c(cc2)N)OC)N","COc1c(ccc(c1)-c2cc(c(cc2)N)OC)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1348,1540,"2,2'-BIQUINOLINE","119-91-5","c1cc2c(cc1)nc(-c3nc4c(cc3)cccc4)cc2","c1cc2c(cc1)nc(-c3nc4c(cc3)cccc4)cc2","c1cc2c(cc1)nc(-c3nc4c(cc3)cccc4)cc2","c1cc2c(cc1)nc(-c3nc4c(cc3)cccc4)cc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1349,1167,"bianisidine","119-93-7","Nc1ccc(cc1)OCCOc2ccc(cc2)N","Cc1c(ccc(c1)-c2cc(c(cc2)N)C)N","Cc1c(ccc(c1)-c2cc(c(cc2)N)C)N","Cc1c(ccc(c1)-c2cc(c(cc2)N)C)N",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[1350,148,"PHENYLDIETHANOLAMINE","120-07-0","OCCN(CCO)c1ccccc1","OCCN(CCO)c1ccccc1","OCCN(CCO)c1ccccc1","OCCN(CCO)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1351,1097,"ANTHRACENE","120-12-7","c1cc2c(cc1)cc3c(cccc3)c2","c1cc2c(cc1)cc3c(cccc3)c2",null,"c1cc2c(cc1)cc3c(cccc3)c2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1352,4037,"BENZALDEHYDE, 3,4-DIMETHOXY-","120-14-9","COc1c(cc(cc1)C=O)OC","COc1c(cc(cc1)C=O)OC","COc1c(cc(cc1)C=O)OC","COc1c(cc(cc1)C=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1353,318,"NAPHTHALENE-2-SULFONIC ACID","120-18-3","O=S(=O)(O)c1cc2c(cc1)cccc2","O=S(=O)(O)c1cc2c(cc1)cccc2","O=S(=O)(O)c1cc2c(cc1)cccc2","O=S(=O)(O)c1cc2c(cc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1354,78,"Benzaldehyde, 4-ethoxy-3-methoxy-","120-25-2","CCOc1c(cc(cc1)C=O)OC","CCOc1c(cc(cc1)C=O)OC","CCOc1c(cc(cc1)C=O)OC","CCOc1c(cc(cc1)C=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1355,983,"5-CHLORO-2-HYDROXYDIPHENYLMETHANE","120-32-1","Oc1c(cc(cc1)Cl)Cc2ccccc2","Oc1c(cc(cc1)Cl)Cc2ccccc2","Oc1c(cc(cc1)Cl)Cc2ccccc2","Oc1c(cc(cc1)Cl)Cc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1356,4267,"DICHLORPROP","120-36-5","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","4060"]
[1357,4039,"P-HYDROXYBENZOIC ACID,ETHYL ESTER","120-47-8",null,"CCOC(=O)c1ccc(cc1)O","CCOC(=O)c1ccc(cc1)O","CCOC(=O)c1ccc(cc1)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1358,3894,"PIPERONAL","120-57-0","O=Cc1cc2c(cc1)OCO2","O=Cc1cc2c(cc1)OCO2","O=Cc1cc2c(cc1)OCO2","O=Cc1cc2c(cc1)OCO2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1359,18,"DIMETHYLTEREPHTHALATE","120-61-6","COC(=O)c1ccc(cc1)C(=O)OC","COC(=O)c1ccc(cc1)C(=O)OC","COC(=O)c1ccc(cc1)C(=O)OC","COC(=O)c1ccc(cc1)C(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1360,3915,"INDOLE","120-72-9","c1cc2c(cc1)[nH]cc2","c1cc2c(cc1)[nH]cc2","c1cc2c(cc1)[nH]cc2","c1cc2c(cc1)[nH]cc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1361,2597,"1H-PURINE","120-73-0","c1nc2-c(n1)c[nH]cn2","c1nc2c(cn1)[nH]cn2","c1nc2c(cn1)nc[nH]2","c1nc2c(cn1)nc[nH]2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1362,1243,"2,2'-DITHIOBISBENZOTHIAZOLE","120-78-5","c1cc2c(cc1)sc(SSc3sc4c(n3)cccc4)n2","c1cc2c(cc1)sc(SSc3sc4c(n3)cccc4)n2","c1cc2c(cc1)sc(SSc3sc4c(n3)cccc4)n2","c1cc2c(cc1)sc(SSc3sc4c(n3)cccc4)n2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1363,3089,"CATECHOL","120-80-9","Oc1c(cccc1)O","Oc1c(cccc1)O","Oc1c(cccc1)O","Oc1c(cccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1364,2953,"1,2,4-TRICHLOROBENZENE","120-82-1","Clc1cc(c(cc1)Cl)Cl","Clc1cc(c(cc1)Cl)Cl","Clc1cc(c(cc1)Cl)Cl","Clc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1365,2990,"2,4-DICHLOROPHENOL","120-83-2","Oc1c(cc(cc1)Cl)Cl","Oc1c(cc(cc1)Cl)Cl","Oc1c(cc(cc1)Cl)Cl","Oc1c(cc(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1366,2053,"Imidazolidinetrione","120-89-8","O=C1NC(C(N1)=O)=O","O=C1NC(C(N1)=O)=O","O=C1NC(C(N1)=O)=O","O=C1NC(C(N1)=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1367,3548,"BENZENESULFONIC ACID, 2-METHYL-5-NITRO-","121-03-9","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)O","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)O","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)O","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1368,3454,"2,4-DINITROTOLUENE","121-14-2","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1369,1751,"PYRETHRIN I","121-21-1","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1370,1802,"PYRETHRIN II","121-29-9","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C(=O)OC)(C)C)=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C(=O)OC)(C)C)=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C(=O)OC)(C)C)=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C(=O)OC)(C)C)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1371,4040,"BENZALDEHYDE, 3-ETHOXY-4-HYDROXY-","121-32-4","CCOc1c(ccc(c1)C=O)O","CCOc1c(ccc(c1)C=O)O","CCOc1c(ccc(c1)C=O)O","CCOc1c(ccc(c1)C=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1372,3962,"VANILLIN","121-33-5","COc1c(ccc(c1)C=O)O","COc1c(ccc(c1)C=O)O","COc1c(ccc(c1)C=O)O","COc1c(ccc(c1)C=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1373,3971,"4-HYDROXY-3-METHOXYBENZOIC ACID","121-34-6","COc1c(ccc(c1)C(=O)O)O","COc1c(ccc(c1)C(=O)O)O","COc1c(ccc(c1)C(=O)O)O","COc1c(ccc(c1)C(=O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1374,2911,"TRIETHYLAMINE","121-44-8","CCN(CC)CC","CCN(CC)CC","CCN(CC)CC","CCN(CC)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1375,3120,"BENZENESULFONIC ACID, 4-AMINO-","121-57-3","Nc1ccc(cc1)S(=O)(=O)O","Nc1ccc(cc1)S(=O)(=O)O","Nc1ccc(cc1)S(=O)(=O)O","Nc1ccc(cc1)S(=O)(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1376,3630,"ACETAMIDE, N-[4-(AMINOSULFONYL)PHENYL]","121-61-9","CC(=O)Nc1ccc(cc1)S(N)(=O)=O","CC(=O)Nc1ccc(cc1)S(N)(=O)=O",null,"CC(=O)Nc1ccc(cc1)S(N)(=O)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1377,3679,"N,N-DIMETHYLANILINE","121-69-7","CN(C)c1ccccc1","CN(C)c1ccccc1","CN(C)c1ccccc1","CN(C)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1378,3003,"3-CHLORO-NITROBENZENE","121-73-3","O=[N+]([O-])c1cc(ccc1)Cl","O=[N+]([O-])c1cc(ccc1)Cl","O=[N+]([O-])c1cc(ccc1)Cl","O=[N+]([O-])c1cc(ccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1379,212,"MALATHION","121-75-5","CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC","CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC","CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1380,83,"PROPYL GALLATE","121-79-9","CCCOC(=O)c1cc(c(c(c1)O)O)O","CCCOC(=O)c1cc(c(c(c1)O)O)O","CCCOC(=O)c1cc(c(c(c1)O)O)O","CCCOC(=O)c1cc(c(c(c1)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1381,2135,"1,3,5,-TRINITROHEXAHYDRO-1,3,5-TRIAZINE","121-82-4",null,"O=[N+]([O-])N1CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])N1CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])N1CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1382,3899,"ISOPHTHALIC ACID","121-91-5","O=C(O)c1cc(ccc1)C(=O)O","O=C(O)c1cc(ccc1)C(=O)O","O=C(O)c1cc(ccc1)C(=O)O","O=C(O)c1cc(ccc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1383,3426,"M-NITROBENZOIC ACID","121-92-6","O=C(O)c1cc(ccc1)[N+](=O)[O-]","O=C(O)c1cc(ccc1)[N+](=O)[O-]","O=C(O)c1cc(ccc1)[N+](=O)[O-]","O=C(O)c1cc(ccc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1384,4038,"P-ANISIC ACID, METHYL ESTER","121-98-2","COC(=O)c1ccc(cc1)OC","COC(=O)c1ccc(cc1)OC","COC(=O)c1ccc(cc1)OC","COC(=O)c1ccc(cc1)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1385,4025,"P-METHYLACETOPHENONE","122-00-9","CC(=O)c1ccc(cc1)C","CC(=O)c1ccc(cc1)C","CC(=O)c1ccc(cc1)C","CC(=O)c1ccc(cc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1386,618,"SULFADIMETHOXINE","122-11-2","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)OC","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)OC","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)OC","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1387,4096,"FENITROTHION","122-14-5","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])C","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])C","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])C","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1388,459,"DIMETAN","122-15-6","CN(C)C(=O)OC=1CC(CC(C1)=O)(C)C","CN(C)C(=O)OC=1CC(CC(C1)=O)(C)C","CN(C)C(=O)OC=1CC(CC(C1)=O)(C)C","CN(C)C(=O)OC=1CC(CC(C1)=O)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1389,4211,"2-Propanol, 1,1',1''-nitrilotris-","122-20-3","CC(O)CN(CC(C)O)CC(C)O","CC(O)CN(CC(C)O)CC(C)O","CC(O)CN(CC(C)O)CC(C)O","CC(O)CN(CC(C)O)CC(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1390,3195,"SIMAZINE","122-34-9","CCNc1nc(nc(n1)Cl)NCC","CCNc1nc(nc(n1)Cl)NCC","CCNc1nc(nc(n1)Cl)NCC",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1391,558,"DIPHENYLAMINE","122-39-4","c1ccc(cc1)Nc2ccccc2","c1ccc(cc1)Nc2ccccc2","c1ccc(cc1)Nc2ccccc2","c1ccc(cc1)Nc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1392,100,"isopropylphenylcarbamate","122-42-9",null,"CC(C)OC(=O)Nc1ccccc1",null,"CC(C)OC(=O)Nc1ccccc1",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[1393,3970,"PHENOXYACETIC ACID","122-59-8","O=C(O)COc1ccccc1","O=C(O)COc1ccccc1","O=C(O)COc1ccccc1","O=C(O)COc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1394,4031,"PHENYL GLYDIDYL ETHER","122-60-1",null,"c1ccc(cc1)OCC2OC2","c1ccc(cc1)OCC2OC2","c1ccc(cc1)OCC2OC2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1395,576,"HYDRAZOBENZENE","122-66-7","c1ccc(cc1)NNc2ccccc2","c1ccc(cc1)NNc2ccccc2","c1ccc(cc1)NNc2ccccc2","c1ccc(cc1)NNc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1396,3622,"P-AMINOACETANILIDE","122-80-5","CC(=O)Nc1ccc(cc1)N","CC(=O)Nc1ccc(cc1)N","CC(=O)Nc1ccc(cc1)N","CC(=O)Nc1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1397,3911,"P-CHLOROPHENOXYACETIC ACID","122-88-3","O=C(O)COc1ccc(cc1)Cl","O=C(O)COc1ccc(cc1)Cl","O=C(O)COc1ccc(cc1)Cl","O=C(O)COc1ccc(cc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1398,4102,"3-PHENYLPROPANOL","122-97-4","OCCCc1ccccc1","OCCCc1ccccc1","OCCCc1ccccc1","OCCCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1399,3685,"2-ANILINOETHANOL","122-98-5","OCCNc1ccccc1","OCCNc1ccccc1","OCCNc1ccccc1","OCCNc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1400,3656,"2-PHENOXYETHANOL","122-99-6","OCCOc1ccccc1","OCCOc1ccccc1","OCCOc1ccccc1","OCCOc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1401,3787,"3-(CHLOROMETHYL)HEPTANE","123-04-6","CCCCC(CC)CCl","CCCCC(CC)CCl","CCCCC(CC)CCl","CCCCC(CC)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1402,3765,"2-ETHYLHEXANAL","123-05-7","CCCCC(C=O)CC","CCCCC(C=O)CC","CCCCC(C=O)CC","CCCCC(C=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1403,3637,"P-ETHYLPHENOL","123-07-9","CCc1ccc(cc1)O","CCc1ccc(cc1)O","CCc1ccc(cc1)O","CCc1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1404,3474,"4-HYDROXYBENZALDEHYDE","123-08-0","O=Cc1ccc(cc1)O","O=Cc1ccc(cc1)O","O=Cc1ccc(cc1)O","O=Cc1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1405,3952,"P-ANISALDEHYDE","123-11-5","COc1ccc(cc1)C=O","COc1ccc(cc1)C=O","COc1ccc(cc1)C=O","COc1ccc(cc1)C=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1406,2798,"2-METHYLPENTALDEHYDE","123-15-9","CCCC(C)C=O","CCCC(C)C=O","CCCC(C)C=O","CCCC(C)C=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1407,3258,"DI(N-PROPYL) KETONE","123-19-3","CCCC(=O)CCC","CCCC(=O)CCC","CCCC(=O)CCC","CCCC(=O)CCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1408,3663,"succinylperoxide","123-23-9","O=C1OOC(CC1)=O","O=C(O)CCC(=O)OOC(=O)CCC(=O)O","O=C(O)CCC(=O)OOC(=O)CCC(=O)O","O=C(O)CCC(=O)OOC(=O)CCC(=O)O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[1409,3728,"DIETHYL SUCCINATE","123-25-1","CCOC(=O)CCC(=O)OCC","CCOC(=O)CCC(=O)OCC","CCOC(=O)CCC(=O)OCC","CCOC(=O)CCC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1410,497,"ETHYL NONANOATE","123-29-5","CCCCCCCCC(=O)OCC","CCCCCCCCC(=O)OCC","CCCCCCCCC(=O)OCC","CCCCCCCCC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1411,3111,"PHENOL, 4-AMINO-","123-30-8","Nc1ccc(cc1)O","Nc1ccc(cc1)O","Nc1ccc(cc1)O","Nc1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1412,3087,"HYDROQUINONE","123-31-9","Oc1ccc(cc1)O","Oc1ccc(cc1)O","Oc1ccc(cc1)O","Oc1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability","990"]
[1413,2289,"maleichydrazide","123-33-1","NNC(=O)C=CC(=O)O","O=c1[nH][nH]c(cc1)=O","O=c1[nH][nH]c(cc1)=O","O=c1[nH][nH]c(cc1)=O",3,1,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Name verified in PubChem"]
[1414,152,"3-METHYLENE-7-METHYL-1,6-OCTADIENE  (MYRCENE)","123-35-3",null,"C=CC(=C)CCC=C(C)C","C=CC(=C)CCC=C(C)C","C=CC(=C)CCC=C(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1415,2136,"PROPIONALDEHYDE","123-38-6","CCC=O","CCC=O","CCC=O","CCC=O",4,0,0,"NO","NO","Mantain","High Reliability","1036"]
[1416,1983,"METHYLFORMAMIDE","123-39-7","CNC=O","CNC=O","CNC=O","CNC=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1417,2820,"4-HYDROXY-4-METHYL-2-PENTANONE","123-42-2","CC(=O)CC(C)(C)O","CC(=O)CC(C)(C)O","CC(=O)CC(C)(C)O","CC(=O)CC(C)(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1418,2563,"ISOPENTANOL","123-51-3","CC(C)CCO","CC(C)CCO","CC(C)CCO","CC(C)CCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1419,2676,"2,4-PENTANEDIONE","123-54-6","CC(=O)CC(C)=O","CC(=O)CC(C)=O","CC(=O)CC(C)=O","CC(=O)CC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1420,2312,"SUCCINIMIDE","123-56-8","O=C1NC(CC1)=O","O=C1NC(CC1)=O","O=C1NC(CC1)=O","O=C1NC(CC1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1421,2831,"PARALDEHYDE","123-63-7","CC1OC(OC(O1)C)C","CC1OC(OC(O1)C)C","CC1OC(OC(O1)C)C","CC1OC(OC(O1)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1422,3770,"ETHYL HEXANOATE","123-66-0","CCCCCC(=O)OCC","CCCCCC(=O)OCC","CCCCCC(=O)OCC","CCCCCC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1423,2405,"BUTYRALDEHYDE","123-72-8","CCCC=O","CCCC=O","CCCC=O","CCCC=O",4,0,0,"NO","NO","Mantain","High Reliability","3459, 3702"]
[1424,2330,"TRANS-CROTONALDEHYDE","123-73-9","CC=CC=O","CC=CC=O","CC=CC=O","CC=CC=O",4,0,0,"NO","NO","Mantain","High Reliability","3466","Stereochemistry removed"]
[1425,2439,"PYRROLIDINE","123-75-1","C1CNCC1","C1CNCC1","C1CNCC1","C1CNCC1",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[1426,1813,"DIOCTYL ADIPATE","123-79-5","CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC","CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC","CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC","CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1427,2583,"1-[(2-Aminoethyl)amino]-2-propanol","123-84-2","CC(O)CNCCN","CC(O)CNCCN",null,"CC(O)CNCCN",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1428,2813,"N-BUTYL ACETATE","123-86-4","CCCCOC(C)=O","CCCCOC(C)=O","CCCCOC(C)=O","CCCCOC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1429,null,"ARETAN","123-88-6","COCC[Hg+]","COCC[Hg+]",null,"COCC[Hg+]",3,0,1,"NO","NO","Eliminate","-",null,"Unusual elements"]
[1430,2416,"1,4-DIOXANE","123-91-1","C1OCCOC1","C1OCCOC1","C1OCCOC1","C1OCCOC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1431,3271,"ISOAMYL ACETATE","123-92-2","CC(=O)OCCC(C)C","CC(=O)OCCC(C)C","CC(=O)OCCC(C)C","CC(=O)OCCC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1432,2349,"Acetic acid, 2,2'-thiobis-","123-93-3","O=C(O)CSCC(=O)O","O=C(O)CSCC(=O)O","O=C(O)CSCC(=O)O","O=C(O)CSCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1433,3801,"2-OCTANOL","123-96-6","CCCCCCC(C)O","CCCCCCC(C)O","CCCCCCC(C)O","CCCCCCC(C)O",4,0,0,"NO","NO","Mantain","High Reliability","3463, 3710"]
[1434,4157,"NONANEDIOC ACID","123-99-9",null,"O=C(O)CCCCCCCC(=O)O","O=C(O)CCCCCCCC(=O)O","O=C(O)CCCCCCCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1435,2752,"DIALLYLAMINE","124-02-7","C=CCNCC=C","C=CCNCC=C","C=CCNCC=C","C=CCNCC=C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1436,2739,"HEXANEDIOIC ACID","124-04-9","O=C(O)CCCCC(=O)O","O=C(O)CCCCC(=O)O","O=C(O)CCCCC(=O)O","O=C(O)CCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1437,3766,"OCTANOIC ACID","124-07-2","CCCCCCCC(=O)O","CCCCCCCC(=O)O","CCCCCCCC(=O)O","CCCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1438,2925,"HEXAMETHYLENE DIAMINE","124-09-4","NCCCCCCN","NCCCCCCN","NCCCCCCN","NCCCCCCN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1439,null,"isononene","124-11-8","C=CCCCCC(C)C","C=CCCCCCCC","C=CCCCCCCC","C=CCCCCCCC",3,1,0,"NO","NO","Manual Check","Verify Name"]
[1440,3762,"OCTANAL","124-13-0","CCCCCCCC=O","CCCCCCCC=O","CCCCCCCC=O","CCCCCCCC=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1441,230,"DIETHYLENE GLYCOL MONOBUTYL ETHER ACETATE","124-17-4","CCCCOCCOCCOC(C)=O","CCCCOCCOCCOC(C)=O","CCCCOCCOCCOC(C)=O","CCCCOCCOCCOC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1442,234,"N-DECANE","124-18-5","CCCCCCCCCC","CCCCCCCCCC","CCCCCCCCCC","CCCCCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1443,4174,"NONANAL","124-19-6","CCCCCCCCC=O","CCCCCCCCC=O","CCCCCCCCC=O","CCCCCCCCC=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1444,715,"N-DODECYLAMINE","124-22-1","CCCCCCCCCCCCN","CCCCCCCCCCCCN","CCCCCCCCCCCCN","CCCCCCCCCCCCN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1445,4385,"CARBON DIOXIDE","124-38-9","O=C=O","O=C=O","O=C=O","O=C=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1446,2008,"DIMETHYLAMINE","124-40-3","CNC","CNC","CNC","CNC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1447,4372,"DIBROMOCHLOROMETHANE","124-48-1","ClC(Br)Br","ClC(Br)Br","ClC(Br)Br","ClC(Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1448,null,"METHANE ARSONATE","124-58-3","O=[AsH](O)O","C[As](=O)(O)O",null,"C[As](=O)(O)O",2,1,1,"NO","NO","Eliminate","-",null,"Unusual elements, Inorganic"]
[1449,2268,"TETRAKIS(HYDROXYMETHYL)PHOSPHONIUM CHLORIDE","124-64-1","OC[P+](CO)(CO)CO","OC[P+](CO)(CO)CO","OC[P+](CO)(CO)CO","OC[P+](CO)(CO)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1450,2258,"2-AMINO-2-METHYL-1-PROPANOL","124-68-5","CC(C)(N)CO","CC(C)(N)CO","CC(C)(N)CO","CC(C)(N)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1451,2021,"2-Bromo-1,1,1,2-tetrafluoroethane","124-72-1","FC(Br)C(F)(F)F","FC(Br)C(F)(F)F","FC(Br)C(F)(F)F","FC(Br)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1452,1889,"1,2-DIBROMOTETRAFLUOROETHANE","124-73-2","FC(F)(Br)C(F)(F)Br","FC(F)(Br)C(F)(F)Br","FC(F)(Br)C(F)(F)Br","FC(F)(Br)C(F)(F)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1453,174,"CAMPHORIC ACID","124-83-4","CC1(C(C(CC1)C(=O)O)(C)C)C(=O)O","CC1(C(C(CC1)C(=O)O)(C)C)C(=O)O",null,"CC1(C(C(CC1)C(=O)O)(C)C)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","3597","Stereochemistry removed"]
[1454,1341,"PICROTOXIN","124-87-8","CC(C)(O)C1C2C(OC1C3OC(C45C(CC2(C43C)O)O5)=O)=O","CC(C)(O)C1C2C(OC1C3OC(C45C(CC2(C43C)O)O5)=O)=O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Organic counterion, Checked on ChemID, Checked on PubChem"]
[1455,1747,"TRIAMCINOLONE","124-94-7","CC12C(=CC(C=C1)=O)CCC3C2(C(CC4(C3CC(O)C4(O)C(=O)CO)C)O)F","CC12C(=CC(C=C1)=O)CCC3C2(C(CC4(C3CC(O)C4(O)C(=O)CO)C)O)F","CC12C(=CC(C=C1)=O)CCC3C2(C(CC4(C3CC(O)C4(O)C(=O)CO)C)O)F","CC12C(=CC(C=C1)=O)CCC3C2(C(CC4(C3CC(O)C4(O)C(=O)CO)C)O)F",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1456,609,"PRIMIDONE","125-33-7","CCC1(C(NCNC1=O)=O)c2ccccc2","CCC1(C(NCNC1=O)=O)c2ccccc2","CCC1(C(NCNC1=O)=O)c2ccccc2","CCC1(C(NCNC1=O)=O)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1457,null,"GRISEOFULVIN","126-07-8","COc1c(c2c(c(c1)OC)C(C3(O2)C(CC(CC3C)=O)OC)=O)Cl","COc1c(c2c(c(c1)OC)C(C3(O2)C(CC(CC3C)=O)OC)=O)Cl","COC=1C2(C(CC(C1)=O)C)C(c3c(O2)c(Cl)c(OC)cc3OC)=O","COC=1C2(C(CC(C1)=O)C)C(c3c(O2)c(Cl)c(OC)cc3OC)=O",2,2,0,"YES","NO","Eliminate","-",null,"Stereochemistry removed, Missing/ambiguous"]
[1458,2465,"2-HYDROXYMETHYL-2-NITRO-1,3-PROPANEDIOL","126-11-4","O=[N+]([O-])C(CO)(CO)CO","O=[N+]([O-])C(CO)(CO)CO","O=[N+]([O-])C(CO)(CO)CO","O=[N+]([O-])C(CO)(CO)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1459,1884,"Sucrose octaacetate","126-14-7","CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O","CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O","CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O","CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1460,4117,"cyclohexanol,1-ethynyl-,carbamate","126-52-3","C#CC1(CCCCC1)O","C#CC1(CCCCC1)OC(N)=O","C#CC1(CCCCC1)OC(N)=O","C#CC1(CCCCC1)OC(N)=O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[1461,245,"Dipentaerythritol","126-58-9","OCC(CO)(CO)COCC(CO)(CO)CO","OCC(CO)(CO)COCC(CO)(CO)CO","OCC(CO)(CO)COCC(CO)(CO)CO","OCC(CO)(CO)COCC(CO)(CO)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1462,4130,"TRIS(2,3-DIBROMOPROPYL) PHOSPHATE","126-72-7","O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr","O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr","O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr","O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1463,722,"TRIBUTYLPHOSPHATE","126-73-8","CCCCOP(=O)(OCCCC)OCCCC","CCCCOP(=O)(OCCCC)OCCCC","CCCCOP(=O)(OCCCC)OCCCC","CCCCOP(=O)(OCCCC)OCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1464,3837,"Demeton-S","126-75-0","CCOP(=O)(OCC)SCCSCC","CCOP(=O)(OCC)SCCSCC","CCOP(=O)(OCC)SCCSCC","CCOP(=O)(OCC)SCCSCC",4,0,0,"NO","NO","Mantain","High Reliability","3888"]
[1465,3700,"5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE","126-81-8","CC1(CC(CC(C1)=O)=O)C","CC1(CC(CC(C1)=O)=O)C","CC1(CC(CC(C1)=O)=O)C","CC1(CC(CC(C1)=O)=O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1466,null,"Oxanamide","126-93-2","NC(=O)C1OCCCC1","CCCC1C(O1)(CC)C(N)=O",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[1467,2308,"METHACRYLONITRILE","126-98-7","C=C(C)C#N","C=C(C)C#N","C=C(C)C#N","C=C(C)C#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1468,4358,"HYDROXYUREA","127-07-1","NC(=O)NO","NC(=O)NO","NC(=O)NO","NC(=O)NO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1469,2080,"PYRUVIC ACID","127-17-3","CC(=O)C(=O)O","CC(=O)C(=O)O","CC(=O)C(=O)O","CC(=O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1470,1893,"TETRACHLOROETHENE","127-18-4","ClC(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1471,2446,"N,N'-DIMETHYLACETAMIDE","127-19-5",null,"CC(=O)N(C)C","CC(=O)N(C)C","CC(=O)N(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1472,null,"hydrocortisone-9a-fluoro","127-31-1",null,"CC12C(=CC(CC1)=O)CCC3C2(C(CC4(C3CCC4(O)C(=O)CO)C)O)F",null,"CC12C(=CC(CC1)=O)CCC3C2(C(CC4(C3CCC4(O)C(=O)CO)C)O)F",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[1473,1735,"Demeclocycline","127-33-3","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4Cl)O)C2","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4Cl)O)C2","CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4Cl)O)C2","CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4Cl)O)C2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Differences in counterions"]
[1474,1062,"ALPHA-IONONE","127-41-3","CC(=O)C=CC1C(CCC=C1C)(C)C","CC(=O)C=CC1C(CCC=C1C)(C)C","CC(=O)C=CC1C(CCC=C1C)(C)C","CC(=O)C=CC1C(CCC=C1C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability","4047","Stereochemistry removed"]
[1475,3160,"Trimethadione","127-48-0","CN1C(C(OC1=O)(C)C)=O","CN1C(C(OC1=O)(C)C)=O","CN1C(C(OC1=O)(C)C)=O","CN1C(C(OC1=O)(C)C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1476,396,"SULFISOXAZOLE","127-69-5","Cc1c(c(on1)NS(=O)(=O)c2ccc(cc2)N)C","Cc1c(c(on1)NS(=O)(=O)c2ccc(cc2)N)C","Cc1c(c(on1)NS(=O)(=O)c2ccc(cc2)N)C","Cc1c(c(on1)NS(=O)(=O)c2ccc(cc2)N)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1477,1002,"Benzamide, N- (4-aminophenyl)sulfonyl -","127-71-9",null,"Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2","Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2","Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1478,null,"acetamide,n-[4-[[(4-methyl-2-pyrimidinyl)amino]","127-73-1",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(ccn2)C",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(ccn2)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[1479,null,"acetamide,n-[4-[(2-pyrimidinylamino)sulfonyl]ph","127-74-2",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[1480,null,"acetamide,n-[4-[(2-thiazolylamino)sulfonyl]phen","127-76-4",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2sccn2",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2sccn2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[1481,381,"SULFAMERAZINE","127-79-7","Cc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N","Cc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N","Cc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N","Cc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1482,null,"Silver Lactate","128-00-7","[Ag+]","[Ag+]","[Ag+]","[Ag+]",4,0,0,"NO","NO","Eliminate","-",null,"Organic counterion, Unusual elements, Inorganic"]
[1483,2281,"2,5-Pyrrolidinedione, 1-bromo-","128-08-5","O=C1N(C(CC1)=O)Br","O=C1N(C(CC1)=O)Br","O=C1N(C(CC1)=O)Br","O=C1N(C(CC1)=O)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1484,2282,"1-CHLORO-2,5-PYRROLIDINEDIONE","128-09-6","O=C1N(C(CC1)=O)Cl","O=C1N(C(CC1)=O)Cl","O=C1N(C(CC1)=O)Cl","O=C1N(C(CC1)=O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1485,1853,"URSODEOXYCHOLIC ACID","128-13-2","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",4,0,0,"NO","NO","Mantain","High Reliability","1835","Stereochemistry removed"]
[1486,1372,"2,6-DI-T-BUTYL-4-METHYLPHENOL (BHT)","128-37-0",null,"Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C","Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C","Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1487,1219,"2,6-DI-T-BUTYLPHENOL","128-39-2","CC(C)(C)c1c(c(ccc1)C(C)(C)C)O","CC(C)(C)c1c(c(ccc1)C(C)(C)C)O","CC(C)(C)c1c(c(ccc1)C(C)(C)C)O","CC(C)(C)c1c(c(ccc1)C(C)(C)C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1488,1787,"Noscapine","128-62-1","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC",4,0,0,"NO","NO","Mantain","High Reliability","3692","Stereochemistry removed"]
[1489,1383,"PYRENE","129-00-0","c1cc2ccc3cccc4ccc(c1)c2c43","c1cc2ccc3cccc4ccc(c1)c2c43","c1cc2ccc3cccc4ccc(c1)c2c43","c1cc2ccc3cccc4ccc(c1)c2c43",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1490,1633,"OXYPHENBUTAZONE","129-20-4","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccc(cc3)O)=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccc(cc3)O)=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccc(cc3)O)=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccc(cc3)O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1491,1246,"1-HYDROXYANTHRAQUINONE","129-43-1","O=C1c2c(C(c3c1cccc3)=O)c(O)ccc2","O=C1c2c(C(c3c1cccc3)=O)c(O)ccc2","O=C1c2c(C(c3c1cccc3)=O)c(O)ccc2","O=C1c2c(C(c3c1cccc3)=O)c(O)ccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1492,3349,"2,4,6-TRINITROBENZOIC ACID","129-66-8","O=C(O)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[1493,360,"4-IODOANTIPYRINE","129-81-7","Cc1n(n(c(c1I)=O)-c2ccccc2)C","Cc1n(n(c(c1I)=O)-c2ccccc2)C","Cc1n(n(c(c1I)=O)-c2ccccc2)C","Cc1n(n(c(c1I)=O)-c2ccccc2)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1494,4233,"8-quinolinol,5-chloro-","130-16-5",null,"Oc1c2c(c(cc1)Cl)cccn2",null,"Oc1c2c(c(cc1)Cl)cccn2",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[1495,1704,"QUININE","130-95-0","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",null,"C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",3,0,1,"NO","NO","Mantain","Medium Reliability","101, 2120, 3703","Stereochemistry removed"]
[1496,20,"DIMETHYL PHTHALATE","131-11-3","COC(=O)c1c(cccc1)C(=O)OC","COC(=O)c1c(cccc1)C(=O)OC","COC(=O)c1c(cccc1)C(=O)OC","COC(=O)c1c(cccc1)C(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1497,1190,"DIPROPYL PHTHALATE","131-16-8","CCCOC(=O)c1c(cccc1)C(=O)OCCC","CCCOC(=O)c1c(cccc1)C(=O)OCCC","CCCOC(=O)c1c(cccc1)C(=O)OCCC","CCCOC(=O)c1c(cccc1)C(=O)OCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1498,1154,"DIALLYLPHTHALATE","131-17-9","C=CCOC(=O)c1c(cccc1)C(=O)OCC=C","C=CCOC(=O)c1c(cccc1)C(=O)OCC=C",null,"C=CCOC(=O)c1c(cccc1)C(=O)OCC=C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1499,1828,"NARCEINE","131-28-2","COc1c(c(c(cc1)C(=O)Cc2c(c3c(cc2CCN(C)C)OCO3)OC)C(=O)O)OC","COc1c(c(c(cc1)C(=O)Cc2c(c3c(cc2CCN(C)C)OCO3)OC)C(=O)O)OC","COc1c(c(c(cc1)C(=O)Cc2c(c3c(cc2CCN(C)C)OCO3)OC)C(=O)O)OC","COc1c(c(c(cc1)C(=O)Cc2c(c3c(cc2CCN(C)C)OCO3)OC)C(=O)O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1500,611,"2-CYCLOHEXYL-4,6-DINITROPHENOL","131-89-5","O=[N+]([O-])c1cc(c(c(c1)C2CCCCC2)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)C2CCCCC2)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)C2CCCCC2)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)C2CCCCC2)O)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1501,298,"1-NITROSO-2-NAPHTHOL","131-91-9","O=Nc1c2c(ccc1O)cccc2","O=Nc1c2c(ccc1O)cccc2","O=Nc1c2c(ccc1O)cccc2","O=Nc1c2c(ccc1O)cccc2",4,0,0,"NO","NO","Mantain","High Reliability","3266"]
[1502,1428,"CHLORPHENIRAMINE","132-22-9","CN(C)CCC(c1ccc(cc1)Cl)c2ncccc2","CN(C)CCC(c1ccc(cc1)Cl)c2ncccc2","CN(C)CCC(c1ccc(cc1)Cl)c2ncccc2","CN(C)CCC(c1ccc(cc1)Cl)c2ncccc2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Differences in counterions"]
[1503,295,"2-NITROSO-1-NAPHTHOL","132-53-6","O=Nc1c(c2c(cc1)cccc2)O","O=Nc1c(c2c(cc1)cccc2)O","O=Nc1c(c2c(cc1)cccc2)O","O=Nc1c(c2c(cc1)cccc2)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1504,1384,"2-PHENYLCINCHONINIC ACID","132-60-5","O=C(O)c1c2c(nc(c1)-c3ccccc3)cccc2","O=C(O)c1c2c(nc(c1)-c3ccccc3)cccc2",null,"O=C(O)c1c2c(nc(c1)-c3ccccc3)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1505,930,"DIBENZOFURAN","132-64-9","c1cc2c(cc1)c3c(o2)cccc3","c1cc2c(cc1)c3c(o2)cccc3","c1cc2c(cc1)c3c(o2)cccc3","c1cc2c(cc1)c3c(o2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1506,936,"DIBENZOTHIOPHENE","132-65-0","c1cc2c(cc1)c3c(s2)cccc3","c1cc2c(cc1)c3c(s2)cccc3","c1cc2c(cc1)c3c(s2)cccc3","c1cc2c(cc1)c3c(s2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1507,null,"npa(naptalam)","132-66-1",null,"O=C(O)c1c(cccc1)C(=O)Nc2c3c(ccc2)cccc3",null,"O=C(O)c1c(cccc1)C(=O)Nc2c3c(ccc2)cccc3",2,0,2,"NO","NO","Manual Check","Verify Name"]
[1508,312,"NAPHTHALENE-1,3-DIOL","132-86-5","Oc1cc2c(c(c1)O)cccc2","Oc1cc2c(c(c1)O)cccc2","Oc1cc2c(c(c1)O)cccc2","Oc1cc2c(c(c1)O)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1509,4268,"CAPTAN","133-06-2","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1510,4222,"FOLPET","133-07-3","O=C1N(C(c2c1cccc2)=O)SC(Cl)(Cl)Cl","O=C1N(C(c2c1cccc2)=O)SC(Cl)(Cl)Cl","O=C1N(C(c2c1cccc2)=O)SC(Cl)(Cl)Cl","O=C1N(C(c2c1cccc2)=O)SC(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1511,991,"PHENYL-4-AMINOSALICYLATE","133-11-9","Nc1cc(c(cc1)C(=O)Oc2ccccc2)O","Nc1cc(c(cc1)C(=O)Oc2ccccc2)O",null,"Nc1cc(c(cc1)C(=O)Oc2ccccc2)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1512,599,"3-INDOLEBUTYRIC ACID","133-32-4","O=C(O)CCCc1c2c([nH]c1)cccc2","O=C(O)CCCc1c2c([nH]c1)cccc2","O=C(O)CCCc1c2c([nH]c1)cccc2","O=C(O)CCCc1c2c([nH]c1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1513,2353,"DL-TARTARIC ACID","133-37-9","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","597, 1609, 1610, 1713, 1993"]
[1514,2296,"2-Butenedioic acid, 2,3-dihydroxy-, (E)-","133-38-0","O=C(O)C(O)=C(O)C(=O)O","O=C(O)C(=O)C(O)=C(O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[1515,3929,"Phenol, 2,4-dichloro-3,5-dimethyl-","133-53-9","Cc1c(c(c(c(c1)O)Cl)C)Cl","Cc1c(c(c(c(c1)O)Cl)C)Cl","Cc1c(c(c(c(c1)O)Cl)C)Cl","Cc1c(c(c(c(c1)O)Cl)C)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1516,3933,"TRICHLORMETHIAZIDE","133-67-5","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)C(Cl)Cl)(=O)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)C(Cl)Cl)(=O)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)C(Cl)Cl)(=O)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)C(Cl)Cl)(=O)=O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1517,3387,"3-AMINO-2,5-DICHLOROBENZOIC ACID","133-90-4","Nc1c(c(cc(c1)Cl)C(=O)O)Cl","Nc1c(c(cc(c1)Cl)C(=O)O)Cl","Nc1c(c(cc(c1)Cl)C(=O)O)Cl","Nc1c(c(cc(c1)Cl)C(=O)O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1518,3372,"3,5-DIIODOSALICYLIC ACID","133-91-5","O=C(O)c1c(c(cc(c1)I)I)O","O=C(O)c1c(c(cc(c1)I)I)O","O=C(O)c1c(c(cc(c1)I)I)O","O=C(O)c1c(c(cc(c1)I)I)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1519,3992,"METHYL ANTHRANILATE","134-20-3","COC(=O)c1c(cccc1)N","COC(=O)c1c(cccc1)N","COC(=O)c1c(cccc1)N","COC(=O)c1c(cccc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1520,331,"1-NAPHTHYLAMINE","134-32-7","Nc1c2c(ccc1)cccc2","Nc1c2c(ccc1)cccc2","Nc1c2c(ccc1)cccc2","Nc1c2c(ccc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1521,1291,"BENZOIC ACID, 2-(ACETYLOXY)-, PHENYL ESTER","134-55-4","CC(=O)Oc1c(cccc1)C(=O)Oc2ccccc2","CC(=O)Oc1c(cccc1)C(=O)Oc2ccccc2",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[1522,111,"O-DIETHYLBENZENE","135-01-3","CCc1c(cccc1)CC","CCc1c(cccc1)CC","CCc1c(cccc1)CC","CCc1c(cccc1)CC",4,0,0,"NO","NO","Mantain","High Reliability","4396"]
[1523,3936,"HYDROFLUMETHIAZIDE","135-09-1","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)C(F)(F)F","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)C(F)(F)F","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)C(F)(F)F","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1524,309,"2-NAPHTHOL","135-19-3","Oc1cc2c(cc1)cccc2","Oc1cc2c(cc1)cccc2","Oc1cc2c(cc1)cccc2","Oc1cc2c(cc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1525,535,"4-Amino-4'-chlorodiphenyl","135-68-2","Nc1ccc(cc1)-c2ccc(cc2)Cl","Nc1ccc(cc1)-c2ccc(cc2)Cl",null,"Nc1ccc(cc1)-c2ccc(cc2)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1526,108,"SEC-BUTYLBENZENE","135-98-8","CCC(C)c1ccccc1","CCC(C)c1ccccc1","CCC(C)c1ccccc1","CCC(C)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1527,559,"1,3-DIPHENYL-1-TRIAZENE","136-35-6","c1ccc(cc1)N=NNc2ccccc2","c1ccc(cc1)N=NNc2ccccc2","c1ccc(cc1)N=NNc2ccccc2","c1ccc(cc1)N=NNc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1528,418,"BUTYL BENZOATE","136-60-7","CCCCOC(=O)c1ccccc1","CCCCOC(=O)c1ccccc1","CCCCOC(=O)c1ccccc1","CCCCOC(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1529,676,"4-HEXYLRESORCINOL","136-77-6","CCCCCCc1c(cc(cc1)O)O","CCCCCCc1c(cc(cc1)O)O","CCCCCCc1c(cc(cc1)O)O","CCCCCCc1c(cc(cc1)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1530,3626,"Benzenamine, 2-ethoxy-5-nitro-","136-79-8","CCOc1c(cc(cc1)[N+](=O)[O-])N","CCOc1c(cc(cc1)[N+](=O)[O-])N",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[1531,4111,"2,4,5-Trimethylaniline","137-17-7","Cc1c(cc(c(c1)C)N)C","Cc1c(cc(c(c1)C)N)C","Cc1c(cc(c(c1)C)N)C","Cc1c(cc(c(c1)C)N)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1532,2556,"2-METHYL-1-BUTANOL","137-32-6","CCC(C)CO","CCC(C)CO","CCC(C)CO","CCC(C)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1533,2141,"Sodium Propionate","137-40-6","CCC(=O)O","CCC(=O)O","CCC(=O)O","CCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","465, 2165"]
[1534,null,"methyldithiocarbamicacid,nasalt","137-42-8",null,"CNC(=S)S",null,"CNC(=S)S",2,0,2,"NO","NO","Manual Check","Verify Name"]
[1535,1216,"LIDOCAINE","137-58-6","CCN(CC)CC(=O)Nc1c(cccc1C)C","CCN(CC)CC(=O)Nc1c(cccc1C)C","CCN(CC)CC(=O)Nc1c(cccc1C)C","CCN(CC)CC(=O)Nc1c(cccc1C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1536,2701,"GLUTAMIC ACID HYDROCHLORIDE","138-15-8","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","111, 1582, 2458, 3790, 3792","Stereochemistry removed, Differences in counterions"]
[1537,3276,"BUTYL LACTATE","138-22-7","CCCCOC(=O)C(C)O","CCCCOC(=O)C(C)O","CCCCOC(=O)C(C)O","CCCCOC(=O)C(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1538,3134,"Benzenesulfonic acid, 3-hydrazino-","138-30-7","NNc1cc(ccc1)S(=O)(=O)O","NNc1cc(ccc1)S(=O)(=O)O","NNc1cc(ccc1)S(=O)(=O)O","NNc1cc(ccc1)S(=O)(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1539,3173,"Benzenesulfonamide, 4-(aminomethyl)-","138-39-6","NCc1ccc(cc1)S(N)(=O)=O","NCc1ccc(cc1)S(N)(=O)=O","NCc1ccc(cc1)S(N)(=O)=O","NCc1ccc(cc1)S(N)(=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1540,1049,"SALICIN","138-52-3","OCc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O","OCc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O","OCc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O","OCc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1541,3185,"SHIKIMIC ACID","138-59-0","O=C(O)C=1CC(C(C(C1)O)O)O","O=C(O)C=1CC(C(C(C1)O)O)O","O=C(O)C=1CC(C(C(C1)O)O)O","O=C(O)C=1CC(C(C(C1)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1542,155,"LIMONENE","138-86-3","C=C(C)C1CCC(=CC1)C","C=C(C)C1CCC(=CC1)C","C=C(C)C1CCC(=CC1)C","C=C(C)C1CCC(=CC1)C",4,0,0,"NO","NO","Mantain","High Reliability","858, 2258, 3688"]
[1543,188,"beta-terpineol","138-87-4","COc1c(c(cc(c1)C=CCO)OC)OC2C(C(C(C(O2)CO)O)O)O","C=C(C)C1CCC(CC1)(C)O","C=C(C)C1CCC(CC1)(C)O","C=C(C)C1CCC(CC1)(C)O",3,1,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Name verified in PubChem"]
[1544,3162,"NITRILOTRIACETIC ACID","139-13-9","O=C(O)CN(CC(=O)O)CC(=O)O","O=C(O)CN(CC(=O)O)CC(=O)O","O=C(O)CN(CC(=O)O)CC(=O)O","O=C(O)CN(CC(=O)O)CC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1545,4142,"PROPAZINE","139-40-2","CC(C)Nc1nc(nc(n1)Cl)NC(C)C","CC(C)Nc1nc(nc(n1)Cl)NC(C)C","CC(C)Nc1nc(nc(n1)Cl)NC(C)C","CC(C)Nc1nc(nc(n1)Cl)NC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1546,684,"TRIPROPIONIN","139-45-7","CCC(=O)OCC(COC(=O)CC)OC(=O)CC","CCC(=O)OCC(COC(=O)CC)OC(=O)CC","CCC(=O)OCC(COC(=O)CC)OC(=O)CC","CCC(=O)OCC(COC(=O)CC)OC(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1547,3478,"3,4-Dihydroxybenzaldehyde","139-85-5","O=Cc1cc(c(cc1)O)O","O=Cc1cc(c(cc1)O)O","O=Cc1cc(c(cc1)O)O","O=Cc1cc(c(cc1)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1548,3611,"2-Thiophenepropanoic acid, .alpha.-amino-","139-86-6","NC(Cc1sccc1)C(=O)O","NC(Cc1sccc1)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[1549,2917,"Ethanol, 2,2'-(ethylimino)bis-","139-87-7","CCN(CCO)CCO","CCN(CCO)CCO","CCN(CCO)CCO","CCN(CCO)CCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1550,1029,"Furaltadone","139-91-3","O=C1N(CC(O1)CN2CCOCC2)N=Cc3oc(cc3)[N+](=O)[O-]","O=C1N(CC(O1)CN2CCOCC2)N=Cc3oc(cc3)[N+](=O)[O-]","O=C1N(CC(O1)CN2CCOCC2)N=Cc3oc(cc3)[N+](=O)[O-]","O=C1N(CC(O1)CN2CCOCC2)N=Cc3oc(cc3)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1551,3138,"NITHIAZIDE","139-94-6","CCNC(=O)Nc1sc(cn1)[N+](=O)[O-]","CCNC(=O)Nc1sc(cn1)[N+](=O)[O-]","CCNC(=O)Nc1sc(cn1)[N+](=O)[O-]","CCNC(=O)Nc1sc(cn1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1552,4282,"2-PROPENOIC ACID, 3-PHENYL-, (E)-","140-10-3","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability","2483","Stereochemistry removed"]
[1553,4034,"BENZYL ACETATE","140-11-4","CC(=O)OCc1ccccc1","CC(=O)OCc1ccccc1","CC(=O)OCc1ccccc1","CC(=O)OCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1554,1432,"1,2-Ethanediamine, N,N'-bis(phenylmethyl)-","140-28-3","c1ccc(cc1)CNCCNCc2ccccc2","c1ccc(cc1)CNCCNCc2ccccc2","c1ccc(cc1)CNCCNCc2ccccc2","c1ccc(cc1)CNCCNCc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1555,3916,"PHENYLACETONITRILE","140-29-4","N#CCc1ccccc1","N#CCc1ccccc1","N#CCc1ccccc1","N#CCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1556,3682,"FENAMINOSULF","140-56-7","CN(C)c1ccc(cc1)N=NS(=O)(=O)O","CN(C)c1ccc(cc1)N=NS(=O)(=O)O","CN(C)c1ccc(cc1)N=NS(=O)(=O)O","CN(C)c1ccc(cc1)N=NS(=O)(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1557,69,"Benzene, 1-methoxy-4-(2-propenyl)-","140-67-0","C=CCc1ccc(cc1)OC","C=CCc1ccc(cc1)OC","C=CCc1ccc(cc1)OC","C=CCc1ccc(cc1)OC",4,0,0,"NO","NO","Mantain","High Reliability","953"]
[1558,3721,"CYCLOPENTYLPROPRIONIC ACID","140-77-2","O=C(O)CCC1CCCC1","O=C(O)CCC1CCCC1",null,"O=C(O)CCC1CCCC1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1559,2673,"ETHYL ACRYLATE","140-88-5","C=CC(=O)OCC","C=CC(=O)OCC","C=CC(=O)OCC","C=CC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1560,1723,"2-ethylhexylfumarate","141-02-6","CCCCC(CC)COC(=O)C=CC(=O)O","CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC",3,1,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Name verified in PubChem"]
[1561,698,"Butanedioic acid, dibutyl ester","141-03-7","CCCCOC(=O)CCC(=O)OCCCC","CCCCOC(=O)CCC(=O)OCCCC","CCCCOC(=O)CCC(=O)OCCCC","CCCCOC(=O)CCC(=O)OCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1562,3701,"DIETHYL MALEATE","141-05-9","CCOC(=O)C=CC(=O)OCC","CCOC(=O)C=CC(=O)OCC","CCOC(=O)C=CC(=O)OCC","CCOC(=O)C=CC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1563,197,"DIETHYLHEXANEDIOATE","141-28-6","CCOC(=O)CCCCC(=O)OCC","CCOC(=O)CCCCC(=O)OCC","CCOC(=O)CCCCC(=O)OCC","CCOC(=O)CCCCC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1564,3206,"BUTYL ACRYLATE","141-32-2","C=CC(=O)OCCCC","C=CC(=O)OCCCC","C=CC(=O)OCCCC","C=CC(=O)OCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1565,2010,"ETHANOLAMINE","141-43-5","NCCO","NCCO","NCCO","NCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1566,4343,"Sodium Formate","141-53-7","O=CO","O=CO","O=CO","O=CO",4,0,0,"NO","NO","Mantain","High Reliability","226, 2288"]
[1567,null,"DECAMETHYLTETRASILOXANE","141-62-8","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[1568,3761,"DICROTOPHOS","141-66-2","COP(=O)(OC)OC(C)=CC(=O)N(C)C","COP(=O)(OC)OC(C)=CC(=O)N(C)C","COP(=O)(OC)OC(C)=CC(=O)N(C)C","COP(=O)(OC)OC(C)=CC(=O)N(C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1569,2098,"3-IODOPROPIONIC ACID","141-76-4","O=C(O)CCI","O=C(O)CCI",null,"O=C(O)CCI",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1570,2420,"ETHYL ACETATE","141-78-6","CCOC(C)=O","CCOC(C)=O","CCOC(C)=O","CCOC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1571,2719,"MESITYL OXIDE","141-79-7","CC(=O)C=C(C)C","CC(=O)C=C(C)C","CC(=O)C=C(C)C","CC(=O)C=C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1572,2082,"MALONIC ACID","141-82-2","O=C(O)CC(=O)O","O=C(O)CC(=O)O","O=C(O)CC(=O)O","O=C(O)CC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1573,2059,"4-Thiazolidinone, 2-thioxo-","141-84-4","O=C1NC(SC1)=S","O=C1NC(SC1)=S","O=C1NC(SC1)=S","O=C1NC(SC1)=S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1574,2293,"2-THIOURACIL","141-90-2","O=c1[nH]c([nH]cc1)=S","O=c1[nH]c([nH]cc1)=S","O=c1[nH]c([nH]cc1)=S","O=c1[nH]c([nH]cc1)=S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1575,110,"M-DIETHYLBENZENE","141-93-5","CCc1cc(ccc1)CC","CCc1cc(ccc1)CC","CCc1cc(ccc1)CC","CCc1cc(ccc1)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1576,2729,"ACETOACETIC ESTER","141-97-9","CCOC(=O)CC(C)=O","CCOC(=O)CC(C)=O","CCOC(=O)CC(C)=O","CCOC(=O)CC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1577,2622,"2-HYDROXYPYRIDINE","142-08-5","Oc1ncccc1","O=c1[nH]cccc1","O=c1[nH]cccc1","O=c1[nH]cccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1578,2453,"Acetamide, N-(2-hydroxyethyl)-","142-26-7","CC(=O)NCCO","CC(=O)NCCO","CC(=O)NCCO","CC(=O)NCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1579,2118,"1,3-DICHLOROPROPANE","142-28-9","ClCCCCl","ClCCCCl","ClCCCCl","ClCCCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1580,2655,"CYCLOPENTENE","142-29-0","C=1CCCC1","C=1CCCC1","C=1CCCC1","C=1CCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1581,1996,"1,2-hydrazinecarbothioamide","142-46-1",null,"NC(=S)NNC(N)=S",null,"NC(=S)NNC(N)=S",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[1582,2701,"MONOSODIUM L-GLUTAMATE","142-47-2","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","111, 1536, 2458, 3790, 3792","Stereochemistry removed"]
[1583,2404,"NABAM","142-59-6","S=C(S)NCCNC(=S)S","S=C(S)NCCNC(=S)S","S=C(S)NCCNC(=S)S","S=C(S)NCCNC(=S)S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1584,2809,"HEXANOIC ACID","142-62-1","CCCCCC(=O)O","CCCCCC(=O)O","CCCCCC(=O)O","CCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1585,2219,"Piperazine hydrochloride","142-64-3","C1NCCNC1","C1NCCNC1",null,"C1NCCNC1",3,0,1,"NO","NO","Mantain","Medium Reliability","1194","Differences in counterions"]
[1586,2482,"TETRAHYDROPYRAN","142-68-7","C1CCOCC1","C1CCOCC1","C1CCOCC1","C1CCOCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1587,2375,"Glycine, N-(carboxymethyl)-","142-73-4","O=C(O)CNCC(=O)O","O=C(O)CNCC(=O)O","O=C(O)CNCC(=O)O","O=C(O)CNCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1588,3297,"N-HEPTANE","142-82-5","CCCCCCC","CCCCCCC","CCCCCCC","CCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1589,2909,"DIPROPYLAMINE","142-84-7","CCCNCCC","CCCNCCC","CCCNCCC","CCCNCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1590,3767,"N-HEXYL ACETATE","142-92-7","CCCCCCOC(C)=O","CCCCCCOC(C)=O","CCCCCCOC(C)=O","CCCCCCOC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1591,3803,"DI-N-BUTYL ETHER","142-96-1","CCCCOCCCC","CCCCOCCCC","CCCCOCCCC","CCCCOCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1592,709,"DODECANOIC ACID","143-07-7","CCCCCCCCCCCC(=O)O","CCCCCCCCCCCC(=O)O","CCCCCCCCCCCC(=O)O","CCCCCCCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1593,4197,"1-NONANOL","143-08-8","CCCCCCCCCO","CCCCCCCCCO","CCCCCCCCCO","CCCCCCCCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1594,716,"1-Hexanamine, N-hexyl-","143-16-8","CCCCCCNCCCCCC","CCCCCCNCCCCCC","CCCCCCNCCCCCC","CCCCCCNCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1595,243,"TRIETHYLENE GLYCOL BUTYL ETHER","143-22-6","CCCCOCCOCCOCCO","CCCCOCCOCCOCCO","CCCCOCCOCCOCCO","CCCCOCCOCCOCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1596,2,"KEPONE","143-50-0","O=C1C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl","O=C1C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl","O=C1C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl","O=C1C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1597,159,"Butabarbital Sodium","143-81-7","CCC(C)C1(C(NC(NC1=O)=O)=O)CC","CCC(C)C1(C(NC(NC1=O)=O)=O)CC","CCC(C)C1(C(=NC(N=C1O)=O)O)CC","CCC(C)C1(C(=NC(N=C1O)=O)O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1598,3579,"1,3-Dioxolane-4,4-diacetic acid, 5-oxo-","144-16-1","O=C(O)CC1(C(OCO1)=O)CC(=O)O","O=C(O)CC1(C(OCO1)=O)CC(=O)O","O=C(O)CC1(C(OCO1)=O)CC(=O)O","O=C(O)CC1(C(OCO1)=O)CC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1599,3819,"2,2,4-TRIMETHYL-1,3-PENTANEDIOL","144-19-4","CC(C)C(O)C(C)(C)CO","CC(C)C(O)C(C)(C)CO","CC(C)C(O)C(C)(C)CO","CC(C)C(O)C(C)(C)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1600,null,"DSMA","144-21-8","C[As](=O)(O)O","C[As](=O)(O)O","C[As](=O)(O)O","C[As](=O)(O)O",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[1601,1941,"FLUOROACETIC ACID","144-49-0","O=C(O)CF","O=C(O)CF",null,"O=C(O)CF",3,0,1,"NO","NO","Mantain","Medium Reliability","214"]
[1602,1923,"OXALIC ACID","144-62-7","O=C(O)C(=O)O","O=C(O)C(=O)O","O=C(O)C(=O)O","O=C(O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","2237"]
[1603,3629,"SULFANILACETAMIDE","144-80-9","CC(=O)NS(=O)(=O)c1ccc(cc1)N","CC(=O)NS(=O)(=O)c1ccc(cc1)N","CC(=O)NS(=O)(=O)c1ccc(cc1)N","CC(=O)NS(=O)(=O)c1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1604,4022,"SULFAMETHIAZOLE","144-82-1","Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1605,365,"SULFAPYRIDINE","144-83-2","Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2","Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2","Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2","Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1606,2457,"DL-Allothreonine","144-98-9","CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","499, 292","Checked on PubChem"]
[1607,1760,"PREGNENOLONE","145-13-1","CC(=O)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C","CC(=O)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C","CC(=O)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C","CC(=O)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1608,3662,"ENDOTHAL","145-73-3","O=C(O)C1C(C2CCC1O2)C(=O)O","O=C(O)C1C(C2CCC1O2)C(=O)O","O=C(O)C1C(C2CCC1O2)C(=O)O","O=C(O)C1C(C2CCC1O2)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[1609,2353,"D-TARTARIC ACID","147-71-7","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","597, 1513, 1610, 1713, 1993","Stereochemistry removed"]
[1610,2353,"meso-TARTARIC ACID","147-73-9","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",null,"O=C(O)C(O)C(O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","597, 1513, 1609, 1713, 1993","Stereochemistry removed"]
[1611,null,"ARABINOSE","147-81-9","O=CC(O)C(O)C(O)CO","OC1C(C(C(OC1)O)O)O","O=CC(O)C(O)C(O)CO","O=CC(O)C(O)C(O)CO",3,1,0,"NO","YES","Eliminate","-",null,"Stereochemistry removed, Missing/ambiguous"]
[1612,2695,"PROLINE","147-85-3","O=C(O)C1NCCC1","O=C(O)C1NCCC1","O=C(O)C1NCCC1","O=C(O)C1NCCC1",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1613,3917,"BENZAMIDE, 2-METHYL-3,5-DINITRO-","148-01-6","Cc1c(cc(cc1C(N)=O)[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1C(N)=O)[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1C(N)=O)[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1C(N)=O)[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1614,4255,"8-QUINOLINOL","148-24-3","Oc1c2c(ccc1)cccn2","Oc1c2c(ccc1)cccn2","Oc1c2c(ccc1)cccn2","Oc1c2c(ccc1)cccn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1615,3880,"FLUMETHAZIDE","148-56-1","NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)C(F)(F)F","NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)C(F)(F)F",null,"NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)C(F)(F)F",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1616,1183,"CHLOROTHEN","148-65-2","CN(C)CCN(Cc1sc(cc1)Cl)c2ncccc2","CN(C)CCN(Cc1sc(cc1)Cl)c2ncccc2","CN(C)CCN(Cc1sc(cc1)Cl)c2ncccc2","CN(C)CCN(Cc1sc(cc1)Cl)c2ncccc2",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[1617,290,"THIABENDAZOLE","148-79-8","c1cc2c(cc1)[nH]c(-c3ncsc3)n2","c1cc2c(cc1)[nH]c(-c3ncsc3)n2","c1cc2c(cc1)[nH]c(-c3ncsc3)n2","c1cc2c(cc1)[nH]c(-c3ncsc3)n2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1618,3932,"2,4-DES","149-26-8",null,"O=S(=O)(O)OCCOc1c(cc(cc1)Cl)Cl","O=S(=O)(O)OCCOc1c(cc(cc1)Cl)Cl","O=S(=O)(O)OCCOc1c(cc(cc1)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1619,3433,"2-MERCAPTOBENZOTHIAZOLE","149-30-4","Sc1sc2c(n1)cccc2","S=c1sc2c([nH]1)cccc2","Sc1sc2c(n1)cccc2","Sc1sc2c(n1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1620,2243,"ERYTHRITOL","149-32-6","OCC(O)C(O)CO","OCC(O)C(O)CO","OCC(O)C(O)CO","OCC(O)C(O)CO",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1621,3768,"HEXANOIC ACID, 2-ETHYL-","149-57-5","CCCCC(CC)C(=O)O","CCCCC(CC)C(=O)O","CCCCC(CC)C(=O)O","CCCCC(CC)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1622,3488,"3,4,5-TRIHYDROXYBENZOIC ACID","149-91-7","O=C(O)c1cc(c(c(c1)O)O)O","O=C(O)c1cc(c(c(c1)O)O)O","O=C(O)c1cc(c(c(c1)O)O)O","O=C(O)c1cc(c(c(c1)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1623,3530,"4-AMINOBENZOIC ACID","150-13-0","Nc1ccc(cc1)C(=O)O","Nc1ccc(cc1)C(=O)O","Nc1ccc(cc1)C(=O)O","Nc1ccc(cc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1624,3568,"M-METHOXYPHENOL","150-19-6","COc1cc(ccc1)O","COc1cc(ccc1)O","COc1cc(ccc1)O","COc1cc(ccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1625,4070,"DL-PHENYLALANINE","150-30-1","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","222, 2624"]
[1626,4057,"MONURON","150-68-5","CN(C)C(=O)Nc1ccc(cc1)Cl","CN(C)C(=O)Nc1ccc(cc1)Cl","CN(C)C(=O)Nc1ccc(cc1)Cl","CN(C)C(=O)Nc1ccc(cc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1627,4092,"Dulcin","150-69-6","CCOc1ccc(cc1)NC(N)=O","CCOc1ccc(cc1)NC(N)=O","CCOc1ccc(cc1)NC(N)=O","CCOc1ccc(cc1)NC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1628,3569,"P-METHOXYPHENOL","150-76-5","COc1ccc(cc1)O","COc1ccc(cc1)O","COc1ccc(cc1)O","COc1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1629,2347,"Sodium Succinate","150-90-3","O=C(O)CCC(=O)O","O=C(O)CCC(=O)O","O=C(O)CCC(=O)O","O=C(O)CCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1163"]
[1630,null,"POTASSIUM CYANIDE","151-50-8","[K+]","[K+]","[K+]","[K+]",4,0,0,"NO","NO","Eliminate","-",null,"Organic counterion, Unusual elements, Inorganic"]
[1631,1977,"AZIRIDINE","151-56-4","C1NC1","C1NC1","C1NC1","C1NC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1632,2020,"HALOTHANE","151-67-7","FC(F)(F)C(Cl)Br","FC(F)(F)C(Cl)Br","FC(F)(F)C(Cl)Br","FC(F)(F)C(Cl)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1633,3848,"OCTAMETHYLPYROPHOSPHORAMIDE","152-16-9","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1634,162,"Vicine","152-93-2","Nc1[nH]c(c(c(n1)=O)OC2C(C(C(C(O2)CO)O)O)O)N","Nc1[nH]c(c(c(n1)=O)OC2C(C(C(C(O2)CO)O)O)O)N","N=c1[nH]c(c(c(n1)O)OC2C(C(C(C(O2)CO)O)O)O)N","N=c1[nH]c(c(c(n1)O)OC2C(C(C(C(O2)CO)O)O)O)N",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1635,1803,"Fluocortolone","152-97-6","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)C(O)C2)C)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)C(O)C2)C)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)C(O)C2)C)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)C(O)C2)C)C(=O)CO",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1636,null,"1,3-bis(2-chloroet)-1-nitrosourea","154-93-8",null,"O=NN(CCCl)C(=O)NCCCl",null,"O=NN(CCCl)C(=O)NCCCl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[1637,3969,"P-HYDROXYPHENYLACETIC ACID","156-38-7","O=C(O)Cc1ccc(cc1)O","O=C(O)Cc1ccc(cc1)O","O=C(O)Cc1ccc(cc1)O","O=C(O)Cc1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1638,1907,"1,2-DICHLOROETHENE (CIS)","156-59-2",null,"ClC=CCl","ClC=CCl","ClC=CCl",3,0,1,"NO","NO","Mantain","Medium Reliability","1639, 2070","Stereochemistry removed"]
[1639,1907,"1,2-DICHLOROETHENE (TRANS)","156-60-5",null,"ClC=CCl","ClC=CCl","ClC=CCl",3,0,1,"NO","NO","Mantain","Medium Reliability","1638, 2070","Stereochemistry removed"]
[1640,3207,"1,6-Dioxaspiro[4,4]nonane","176-25-0","C1CC2(OC1)OCCC2","C1CC2(OC1)OCCC2",null,"C1CC2(OC1)OCCC2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1641,1838,"CORONENE","191-07-1","c1c2ccc3ccc4ccc5ccc6ccc(c1)c7c2c3c4c5c67","c1c2ccc3ccc4ccc5ccc6ccc(c1)c7c2c3c4c5c67","c1c2ccc3ccc4ccc5ccc6ccc(c1)c7c2c3c4c5c67","c1c2ccc3ccc4ccc5ccc6ccc(c1)c7c2c3c4c5c67",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1642,1763,"BENZO(GHI)PERYLENE","191-24-2","c1cc2c3cccc4ccc5ccc6ccc(c1)c2c6c5c43","c1cc2c3cccc4ccc5ccc6ccc(c1)c2c6c5c43","c1cc2c3cccc4ccc5ccc6ccc(c1)c2c6c5c43","c1cc2c3cccc4ccc5ccc6ccc(c1)c2c6c5c43",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1643,1674,"BENZO(E)PYRENE","192-97-2","c1cc2c(cc1)c3cccc4ccc5cccc2c5c43","c1cc2c(cc1)c3cccc4ccc5cccc2c5c43","c1cc2c(cc1)c3cccc4ccc5cccc2c5c43","c1cc2c(cc1)c3cccc4ccc5cccc2c5c43",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1644,1762,"INDENO(1,2,3-CD)PYRENE","193-39-5","c1cc-2c(cc1)-c3cc4cccc5ccc6ccc2c3c6c54","c1cc-2c(cc1)-c3cc4cccc5ccc6ccc2c3c6c54","c1cc-2c(cc1)-c3cc4cccc5ccc6ccc2c3c6c54","c1cc-2c(cc1)-c3cc4cccc5ccc6ccc2c3c6c54",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1645,1678,"7H-DIBENZO(C,G)CARBAZOLE","194-59-2","c1cc2c(cc1)c3c(cc2)[nH]c4c3c5c(cc4)cccc5","c1cc2c(cc1)c3c(cc2)[nH]c4c3c5c(cc4)cccc5","c1cc2c(cc1)c3c(cc2)[nH]c4c3c5c(cc4)cccc5","c1cc2c(cc1)c3c(cc2)[nH]c4c3c5c(cc4)cccc5",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1646,1538,"BENZO(C)PHENANTHRENE","195-19-7","c1cc2c(cc1)c3c(cc2)ccc4c3cccc4","c1cc2c(cc1)c3c(cc2)ccc4c3cccc4","c1cc2c(cc1)c3c(cc2)ccc4c3cccc4","c1cc2c(cc1)c3c(cc2)ccc4c3cccc4",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1647,1675,"PERYLENE","198-55-0","c1cc2c3cccc4cccc(c5cccc(c1)c52)c43","c1cc2c3cccc4cccc(c5cccc(c1)c52)c43","c1cc2c3cccc4cccc(c5cccc(c1)c52)c43","c1cc2c3cccc4cccc(c5cccc(c1)c52)c43",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1648,null,"benz(a,j)aceanthrylene","203-20-3",null,"c1cc-2c(cc1)-c3c4c(cc5cccc2c53)c6c(cc4)cccc6",null,"c1cc-2c(cc1)-c3c4c(cc5cccc2c53)c6c(cc4)cccc6",2,0,2,"NO","NO","Manual Check","Verify Name"]
[1649,1263,"4,5-METHYLENEPHENANTHRENE","203-64-5","c1cc2c3c(c1)Cc4cccc(cc2)c34","c1cc2c3c(c1)Cc4cccc(cc2)c34","c1cc2c3c(c1)Cc4cccc(cc2)c34","c1cc2c3c(c1)Cc4cccc(cc2)c34",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1650,1673,"BENZO(J)FLUORANTHENE","205-82-3","c1cc2c(cc1)c3-c4cccc5cccc(-c3cc2)c54","c1cc2c(cc1)c3-c4cccc5cccc(-c3cc2)c54","c1cc2c(cc1)c3-c4cccc5cccc(-c3cc2)c54","c1cc2c(cc1)c3-c4cccc5cccc(-c3cc2)c54",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1651,1671,"BENZO(B)FLUORANTHENE","205-99-2","c1cc-2c(cc1)-c3c4c2cccc4c5c(c3)cccc5","c1cc-2c(cc1)-c3c4c2cccc4c5c(c3)cccc5","c1cc-2c(cc1)-c3c4c2cccc4c5c(c3)cccc5","c1cc-2c(cc1)-c3c4c2cccc4c5c(c3)cccc5",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1652,1382,"FLUORANTHENE","206-44-0","c1cc-2c(cc1)-c3cccc4cccc2c43","c1cc-2c(cc1)-c3cccc4cccc2c43","c1cc-2c(cc1)-c3cccc4cccc2c43","c1cc-2c(cc1)-c3cccc4cccc2c43",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1653,1670,"BENZO(K)FLUORANTHENE","207-08-9","c1cc2c(cc1)cc3-c4cccc5cccc(-c3c2)c54","c1cc2c(cc1)cc3-c4cccc5cccc(-c3c2)c54","c1cc2c(cc1)cc3-c4cccc5cccc(-c3c2)c54","c1cc2c(cc1)cc3-c4cccc5cccc(-c3c2)c54",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1654,900,"ACENAPHTHYLENE","208-96-8","C=1c2cccc3cccc(C1)c32","C=1c2cccc3cccc(C1)c32","C=1c2cccc3cccc(C1)c32","C=1c2cccc3cccc(C1)c32",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1655,1765,"PICENE","213-46-7","c1cc2c(cc1)c3c(cc2)c4c(cc3)c5c(cccc5)cc4","c1cc2c(cc1)c3c(cc2)c4c(cc3)c5c(cccc5)cc4","c1cc2c(cc1)c3c(cc2)c4c(cc3)c5c(cccc5)cc4","c1cc2c(cc1)c3c(cc2)c4c(cc3)c5c(cccc5)cc4",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1656,1764,"1,2,3,4-DIBENZANTHRACENE","215-58-7","c1cc2c(cc1)cc3c(c4c(c5c3cccc5)cccc4)c2","c1cc2c(cc1)cc3c(c4c(c5c3cccc5)cccc4)c2","c1cc2c(cc1)cc3c(c4c(c5c3cccc5)cccc4)c2","c1cc2c(cc1)cc3c(c4c(c5c3cccc5)cccc4)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1657,1536,"TRIPHENYLENE","217-59-4","c1cc2c(cc1)c3c(c4c2cccc4)cccc3","c1cc2c(cc1)c3c(c4c2cccc4)cccc3","c1cc2c(cc1)c3c(c4c2cccc4)cccc3","c1cc2c(cc1)c3c(c4c2cccc4)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1658,1537,"CHRYSENE","218-01-9","c1cc2c(cc1)c3c(cc2)c4c(cccc4)cc3","c1cc2c(cc1)c3c(cc2)c4c(cccc4)cc3","c1cc2c(cc1)c3c(cc2)c4c(cccc4)cc3","c1cc2c(cc1)c3c(cc2)c4c(cccc4)cc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1659,1766,"DIBENZ(A,J)ANTHRACENE","224-41-9","c1cc2c(cc1)c3c(cc2)cc4c(c5c(cc4)cccc5)c3","c1cc2c(cc1)c3c(cc2)cc4c(c5c(cc4)cccc5)c3","c1cc2c(cc1)c3c(cc2)cc4c(c5c(cc4)cccc5)c3","c1cc2c(cc1)c3c(cc2)cc4c(c5c(cc4)cccc5)c3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1660,1679,"14H-Dibenzo[a,j]phenothiazine","224-62-4","c1cc2c(cc1)c3Nc4c(Sc3cc2)ccc5c4cccc5","c1cc2c(cc1)c3Nc4c(Sc3cc2)ccc5c4cccc5","c1cc2c(cc1)c3Nc4c(Sc3cc2)ccc5c4cccc5","c1cc2c(cc1)c3Nc4c(Sc3cc2)ccc5c4cccc5",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1661,1680,"7H-Dibenzo[c,h]phenothiazine","224-72-6","c1cc2c(cc1)c3Sc4c(Nc3cc2)ccc5c4cccc5","c1cc2c(cc1)c3Sc4c(Nc3cc2)ccc5c4cccc5","c1cc2c(cc1)c3Sc4c(Nc3cc2)ccc5c4cccc5","c1cc2c(cc1)c3Sc4c(Nc3cc2)ccc5c4cccc5",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1662,null,"12h-benzo[c]phenothiazine","225-83-2","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4","c1cc2c(cc1)Sc3c(N2)c4c(cc3)cccc4",null,"c1cc2c(cc1)Sc3c(N2)c4c(cc3)cccc4",2,1,1,"NO","NO","Manual Check","Verify Name"]
[1663,1385,"7H-Benzo[c]phenothiazine","226-06-2","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1664,1727,"dibenz(a,h)acridine","226-36-8","c1cc2c(cc1)c3c(cc2)nc4c5c(ccc4c3)cccc5","c1cc2c(cc1)c3c(cc2)nc4c5c(ccc4c3)cccc5","c1cc2c(cc1)c3c(cc2)nc4c(c5c(cc4)cccc5)c3","c1cc2c(cc1)c3c(cc2)nc4c5c(ccc4c3)cccc5",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[1665,1093,"PHENANTHRIDINE","229-87-8","c1cc2c(cc1)c3c(nc2)cccc3","c1cc2c(cc1)c3c(nc2)cccc3","c1cc2c(cc1)c3c(nc2)cccc3","c1cc2c(cc1)c3c(nc2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1666,927,"1,7-PHENANTHROLINE","230-46-6","c1cc2c(nc1)c3c(cc2)nccc3","c1cc2c(nc1)c3c(cc2)nccc3",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[1667,1464,"11H-BENZO(A)FLUORENE","238-84-6","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4",4,0,0,"NO","NO","Mantain","High Reliability","4513"]
[1668,1677,"13H-DIBENZO(A,I)CARBAZOLE","239-64-5","c1cc2c(cc1)c3c(cc2)c4c(c5c(cc4)cccc5)[nH]3","c1cc2c(cc1)c3c(cc2)c4c(c5c(cc4)cccc5)[nH]3",null,"c1cc2c(cc1)c3c(cc2)c4c(c5c(cc4)cccc5)[nH]3",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1669,1463,"11H-BENZO(B)FLUORENE","243-17-4","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3",4,0,0,"NO","NO","Mantain","High Reliability","4514"]
[1670,3881,"PHTHALAZINE","253-52-1","c1cc2c(cc1)cnnc2","c1cc2c(cc1)cnnc2","c1cc2c(cc1)cnnc2",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1671,1094,"ACRIDINE","260-94-6","c1cc2c(cc1)nc3c(cccc3)c2","c1cc2c(cc1)nc3c(cccc3)c2","c1cc2c(cc1)nc3c(cccc3)c2","c1cc2c(cc1)nc3c(cccc3)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1672,931,"DIBENZO-P-DIOXIN","262-12-4","c1cc2c(cc1)Oc3c(O2)cccc3","c1cc2c(cc1)Oc3c(O2)cccc3","c1cc2c(cc1)Oc3c(O2)cccc3","c1cc2c(cc1)Oc3c(O2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1673,3450,"INDAZOLE","271-44-3","c1cc2c(cc1)[nH]nc2","c1cc2c(cc1)[nH]nc2","c1cc2c(cc1)[nH]nc2","c1cc2c(cc1)[nH]nc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1674,2276,"1H-1,2,3-Triazolo[4,5-d]pyrimidine","273-40-5","c1nc2c(cn1)[nH]nn2","c1nc2c(cn1)n[nH]n2",null,"c1nc2c(cn1)n[nH]n2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1675,3414,"BENZOXAZOLE","273-53-0","c1cc2c(cc1)ocn2","c1cc2c(cc1)ocn2","c1cc2c(cc1)ocn2","c1cc2c(cc1)ocn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1676,2778,"1,4-DIAZABICYCLO(2,2,2)OCTANE  (DABCO)","280-57-9",null,"C1N2CCN(C1)CC2","C1N2CCN(C1)CC2","C1N2CCN(C1)CC2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1677,2469,"CYCLOPENTANE","287-92-3","C1CCCC1","C1CCCC1","C1CCCC1","C1CCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1678,2069,"PYRAZOLE","288-13-1","c1c[nH]nc1","c1c[nH]nc1","c1c[nH]nc1","c1c[nH]nc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1679,2058,"ISO-OXAZOLE","288-14-2",null,"c1conc1","c1conc1","c1conc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1680,1919,"1,2,3-THIADIAZOLE","288-48-2","c1nnsc1","c1nnsc1","c1nnsc1","c1nnsc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1681,2284,"PYRIDAZINE","289-80-5","c1cnncc1","c1cnncc1","c1cnncc1","c1cnncc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1682,2285,"PYRIMIDINE","289-95-2","c1cncnc1","c1cncnc1","c1cncnc1","c1cncnc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1683,3240,"CYCLOHEPTANE","291-64-5","C1CCCCCC1","C1CCCCCC1","C1CCCCCC1","C1CCCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1684,3751,"CYCLOOCTANE","292-64-8","C1CCCCCCC1","C1CCCCCCC1","C1CCCCCCC1","C1CCCCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1685,3705,"THIONAZIN","297-97-2","CCOP(=S)(OCC)Oc1nccnc1","CCOP(=S)(OCC)Oc1nccnc1","CCOP(=S)(OCC)Oc1nccnc1","CCOP(=S)(OCC)Oc1nccnc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1686,200,"PHOSPHAMIDON","297-99-4","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC",4,0,0,"NO","NO","Mantain","High Reliability","3959","Stereochemistry removed"]
[1687,3636,"PARATHION METHYL","298-00-0","COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]","COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]","COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1688,3239,"MEVINPHOS (TRANS)","298-01-1","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",null,"COC(=O)C=C(C)OP(=O)(OC)OC",3,0,1,"NO","NO","Mantain","Medium Reliability","3885, 4428","Stereochemistry removed"]
[1689,3334,"PHORATE","298-02-2","CCOP(=S)(OCC)SCSCC","CCOP(=S)(OCC)SCSCC","CCOP(=S)(OCC)SCSCC","CCOP(=S)(OCC)SCSCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1690,3838,"Demeton-O","298-03-3","CCOP(=S)(OCC)OCCSCC","CCOP(=S)(OCC)OCCSCC","CCOP(=S)(OCC)OCCSCC","CCOP(=S)(OCC)OCCSCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1691,3836,"DISULFOTON","298-04-4","CCOP(=S)(OCC)SCCSCC","CCOP(=S)(OCC)SCCSCC","CCOP(=S)(OCC)SCCSCC","CCOP(=S)(OCC)SCCSCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1692,2336,"1,2:3,4-DIEPOXYBUTANE DL","298-18-0","C1C(O1)C2OC2","C1C(O1)C2OC2","C1C(O1)C2OC2","C1C(O1)C2OC2",4,0,0,"NO","NO","Mantain","High Reliability","2183, 2911","Stereochemistry removed"]
[1693,1287,"CARBAMAZEPINE","298-46-4","NC(=O)N1c2c(C=Cc3c1cccc3)cccc2","NC(=O)N1c2c(C=Cc3c1cccc3)cccc2","NC(=O)N1c2c(C=Cc3c1cccc3)cccc2","NC(=O)N1c2c(C=Cc3c1cccc3)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1694,1872,"Cinnarizine","298-57-7","C(=Cc1ccccc1)CN2CCN(CC2)C(c3ccccc3)c4ccccc4","C(=Cc1ccccc1)CN2CCN(CC2)C(c3ccccc3)c4ccccc4","C(=Cc1ccccc1)CN2CCN(CC2)C(c3ccccc3)c4ccccc4","C(=Cc1ccccc1)CN2CCN(CC2)C(c3ccccc3)c4ccccc4",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1695,934,"Methoxsalen","298-81-7","COc1c2c(cc3c1occ3)ccc(=O)o2","COc1c2c(cc3c1occ3)ccc(=O)o2","COc1c2c(cc3c1occ3)ccc(=O)o2","COc1c2c(cc3c1occ3)ccc(=O)o2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1696,1375,"SPARTEINE SULFATE","299-39-8","C1CC2N(CC1)CC3C4N(CC2C3)CCCC4","C1CC2N(CC1)CC3C4N(CC2C3)CCCC4",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[1697,147,"(1R,2S)-(-)-EPHEDRINE","299-42-3",null,"CNC(C)C(O)c1ccccc1","CNC(C)C(O)c1ccccc1","CNC(C)C(O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[1698,3934,"RONNEL","299-84-3","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Cl)Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Cl)Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Cl)Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1699,null,"dmpa","299-85-4","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(C3)C)=CC(=O)CC4)C)CC2)C)C(C)=O","COP(=S)(NC(C)C)Oc1c(cc(cc1)Cl)Cl","COP(=S)(NC(C)C)Oc1c(cc(cc1)Cl)Cl","COP(=S)(NC(C)C)Oc1c(cc(cc1)Cl)Cl",3,1,0,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[1700,677,"CRUFOMATE","299-86-5","CNP(=O)(OC)Oc1c(cc(cc1)C(C)(C)C)Cl","CNP(=O)(OC)Oc1c(cc(cc1)C(C)(C)C)Cl","CNP(=O)(OC)Oc1c(cc(cc1)C(C)(C)C)Cl","CNP(=O)(OC)Oc1c(cc(cc1)C(C)(C)C)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1701,3404,"Iodopyracet","300-37-8","O=C(O)Cn1cc(c(c(c1)I)=O)I","O=C(O)Cn1cc(c(c(c1)I)=O)I","O=C(O)Cn1cc(c(c(c1)I)=O)I","O=C(O)Cn1cc(c(c(c1)I)=O)I",4,0,0,"NO","NO","Mantain","High Reliability","","Organic counterion, Differences in counterions"]
[1702,4294,"L-Tyrosine, 3,5-dibromo-","300-38-9","NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O","NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[1703,4304,"3,5-Diiodo-L-tyrosine","300-39-0","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","241","Stereochemistry removed"]
[1704,2355,"NALED","300-76-5","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1705,2923,"OXYDEMETON METHYL","301-12-2","CCS(=O)CCSP(=O)(OC)OC","CCS(=O)CCSP(=O)(OC)OC","CCS(=O)CCSP(=O)(OC)OC","CCS(=O)CCSP(=O)(OC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1706,null,"HYDRAZINE","302-01-2","NN","NN","NN","NN",4,0,0,"NO","NO","Eliminate","-",null,"Inorganic"]
[1707,1937,"CHORAL HYDRATE","302-17-0",null,"OC(O)C(Cl)(Cl)Cl","OC(O)C(Cl)(Cl)Cl","OC(O)C(Cl)(Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1708,2040,"ACONITINE","302-27-2","CCN1C2C34C(CC(C(C1)(C3C(C2C5(C(C(C6(CC4C5C6OC(=O)c7ccccc7)O)OC)O)OC(C)=O)OC)COC)O)OC","CCN1C2C34C(CC(C(C1)(C3C(C2C5(C(C(C6(CC4C5C6OC(=O)c7ccccc7)O)OC)O)OC(C)=O)OC)COC)O)OC","CCN1C2C34C(CC(C(C1)(C3C(C2C5(C(C(C6(CC4C5C6OC(=O)c7ccccc7)O)OC)O)OC(C)=O)OC)COC)O)OC","CCN1C2C34C(CC(C(C1)(C3C(C2C5(C(C(C6(CC4C5C6OC(=O)c7ccccc7)O)OC)O)OC(C)=O)OC)COC)O)OC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1709,3188,"MEPARFYNOL CARBAMATE","302-66-9","C#CC(C)(CC)OC(N)=O","C#CC(C)(CC)OC(N)=O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[1710,2167,"ALANINE","302-72-7","CC(N)C(=O)O","CC(N)C(=O)O","CC(N)C(=O)O","CC(N)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","96, 1743","Stereochemistry removed"]
[1711,2178,"DL-Serine","302-84-1","NC(CO)C(=O)O","NC(CO)C(=O)O","NC(CO)C(=O)O","NC(CO)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","97, 1719, 3791"]
[1712,3486,"2,6-DIHYDROXYBENZOIC ACID","303-07-1","O=C(O)c1c(cccc1O)O","O=C(O)c1c(cccc1O)O","O=C(O)c1c(cccc1O)O","O=C(O)c1c(cccc1O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1713,2353,"Potassium Sodium Tartrate","304-59-6","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","597, 1513, 1609, 1610, 1993","Stereochemistry removed"]
[1714,null,"Benzenepropanoic acid, .alpha.,beta.-dihydroxy-","306-23-0",null,"O=C(O)C(O)Cc1ccc(cc1)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[1715,2022,"1,1,1-TRIFLUORO-2,2-DICHLOROETHANE","306-83-2","FC(F)(F)C(Cl)Cl","FC(F)(F)C(Cl)Cl","FC(F)(F)C(Cl)Cl","FC(F)(F)C(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1716,922,"ALDRIN","309-00-2","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4CC3C=C4)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4CC3C=C4)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4CC3C=C4)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4CC3C=C4)Cl",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1717,130,"PARAOXON","311-45-5","CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]","CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]","CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]","CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1718,2777,"2-CHLOROVINYL DIETHYL PHOSPHATE","311-47-7","CCOP(=O)(OC=CCl)OCC","CCOP(=O)(OC=CCl)OCC","CCOP(=O)(OC=CCl)OCC","CCOP(=O)(OC=CCl)OCC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1719,2178,"D-Serine","312-84-5","NC(CO)C(=O)O","NC(CO)C(=O)O","NC(CO)C(=O)O","NC(CO)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","97, 1711, 3791","Stereochemistry removed"]
[1720,4107,"BROMACIL","314-40-9","CCC(C)n1c(c(c([nH]c1=O)C)Br)=O","CCC(C)n1c(c(c([nH]c1=O)C)Br)=O","CCC(C)n1c(c(c([nH]c1=O)C)Br)=O","CCC(C)n1c(c(c([nH]c1=O)C)Br)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1721,3665,"ISOCIL","314-42-1","Cc1c(c(n(c([nH]1)=O)C(C)C)=O)Br","Cc1c(c(n(c([nH]1)=O)C(C)C)=O)Br","Cc1c(c(n(c([nH]1)=O)C(C)C)=O)Br","Cc1c(c(n(c([nH]1)=O)C(C)C)=O)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1722,671,"MEXACARBATE","315-18-4","CNC(=O)Oc1cc(c(c(c1)C)N(C)C)C","CNC(=O)Oc1cc(c(c(c1)C)N(C)C)C","CNC(=O)Oc1cc(c(c(c1)C)N(C)C)C","CNC(=O)Oc1cc(c(c(c1)C)N(C)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1723,2598,"ALLOPURINOL","315-30-0","O=c1c2-c(ncn1)[nH][nH]c2","O=c1c2-c(ncn1)[nH][nH]c2","Oc1c2c(ncn1)[nH]nc2","Oc1c2c(ncn1)[nH]nc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1724,2848,"ISOLEUCINE","319-78-8","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","301, 1789, 3806, 3328","Stereochemistry removed"]
[1725,3066,"ALPHA-HEXACHLOROCYCLOHEXANE","319-84-6","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability","159, 1726, 1727","Stereochemistry removed"]
[1726,3066,"BETA-HEXACHLOROCYCLOHEXANE","319-85-7","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability","159, 1725, 1727","Stereochemistry removed"]
[1727,3066,"DELTA-HEXACHLOROCYCLOHEXANE","319-86-8","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability","159, 1725, 1726","Stereochemistry removed"]
[1728,3398,"5-CHLOROSALICYLIC ACID","321-14-2","O=C(O)c1c(ccc(c1)Cl)O","O=C(O)c1c(ccc(c1)Cl)O","O=C(O)c1c(ccc(c1)Cl)O","O=C(O)c1c(ccc(c1)Cl)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1729,288,"1-FLUORONAPHTHALENE","321-38-0","Fc1c2c(ccc1)cccc2","Fc1c2c(ccc1)cccc2","Fc1c2c(ccc1)cccc2","Fc1c2c(ccc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1730,4016,"Acetamide, N-(4-fluoro-2-methylphenyl)-","326-65-8","CC(=O)Nc1c(cc(cc1)F)C",null,"CC(=O)Nc1c(cc(cc1)F)C","CC(=O)Nc1c(cc(cc1)F)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1731,4015,"Acetamide, N-(2-fluoro-4-methylphenyl)-","326-67-0","CC(=O)Nc1c(cc(cc1)C)F",null,"CC(=O)Nc1c(cc(cc1)C)F","CC(=O)Nc1c(cc(cc1)C)F",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1732,2942,"1,2,4,5-TETRAFLUOROBENZENE","327-54-8","Fc1c(cc(c(c1)F)F)F","Fc1c(cc(c(c1)F)F)F","Fc1c(cc(c(c1)F)F)F","Fc1c(cc(c(c1)F)F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1733,null,"a-aminocaproicacid","327-57-1",null,"CCCCC(N)C(=O)O",null,"CCCCC(N)C(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[1734,1427,"Chlorogenic Acid","327-97-9","O=C(C=Cc1cc(c(cc1)O)O)OC2C(C(CC(C2)(O)C(=O)O)O)O","O=C(C=Cc1cc(c(cc1)O)O)OC2C(C(CC(C2)(O)C(=O)O)O)O","O=C(C=Cc1cc(c(cc1)O)O)OC2C(C(CC(C2)(O)C(=O)O)O)O","O=C(C=Cc1cc(c(cc1)O)O)OC2C(C(CC(C2)(O)C(=O)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1735,51,"TRICHLORONATE","327-98-0","CCOP(=S)(CC)Oc1c(cc(c(c1)Cl)Cl)Cl","CCOP(=S)(CC)Oc1c(cc(c(c1)Cl)Cl)Cl","CCOP(=S)(CC)Oc1c(cc(c(c1)Cl)Cl)Cl","CCOP(=S)(CC)Oc1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1736,2850,"LEUCINE","328-39-2","CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O",null,3,0,1,"NO","NO","Mantain","Medium Reliability","203","Stereochemistry removed"]
[1737,3023,"2,5-DINITROPHENOL","329-71-5","O=[N+]([O-])c1cc(c(cc1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(c(cc1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(c(cc1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(c(cc1)[N+](=O)[O-])O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1738,3243,"Cyclohexyl methylphosphonofluoridate","329-99-7","CP(=O)(F)OC1CCCCC1","CP(=O)(F)OC1CCCCC1","CP(=O)(F)OC1CCCCC1","CP(=O)(F)OC1CCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1739,4010,"DIURON","330-54-1","CN(C)C(=O)Nc1cc(c(cc1)Cl)Cl","CN(C)C(=O)Nc1cc(c(cc1)Cl)Cl","CN(C)C(=O)Nc1cc(c(cc1)Cl)Cl","CN(C)C(=O)Nc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1740,4011,"LINURON","330-55-2","CON(C)C(=O)Nc1cc(c(cc1)Cl)Cl","CON(C)C(=O)Nc1cc(c(cc1)Cl)Cl","CON(C)C(=O)Nc1cc(c(cc1)Cl)Cl","CON(C)C(=O)Nc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1741,686,"DIAZINON","333-41-5","CCOP(=S)(OCC)Oc1nc(nc(c1)C)C(C)C","CCOP(=S)(OCC)Oc1nc(nc(c1)C)C(C)C","CCOP(=S)(OCC)Oc1nc(nc(c1)C)C(C)C",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1742,225,"DECANOIC ACID","334-48-5","CCCCCCCCCC(=O)O","CCCCCCCCCC(=O)O","CCCCCCCCCC(=O)O","CCCCCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1743,2167,"D-Alanine","338-69-2","CC(N)C(=O)O","CC(N)C(=O)O","CC(N)C(=O)O","CC(N)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","96, 1710","Stereochemistry removed"]
[1744,456,"CARBUTAMIDE","339-43-5","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1745,3446,"O-FLUOROBENZYL CHLORIDE","345-35-7","Fc1c(cccc1)CCl","Fc1c(cccc1)CCl","Fc1c(cccc1)CCl","Fc1c(cccc1)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1746,2997,"1-CHLORO-2-FLUOROBENZENE","348-51-6","Fc1c(cccc1)Cl","Fc1c(cccc1)Cl","Fc1c(cccc1)Cl","Fc1c(cccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1747,3444,"P-FLUOROBENZYL CHLORIDE","352-11-4","Fc1ccc(cc1)CCl","Fc1ccc(cc1)CCl",null,"Fc1ccc(cc1)CCl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1748,3010,"Benzene, 1-fluoro-4-iodo-","352-34-1","Fc1ccc(cc1)I","Fc1ccc(cc1)I","Fc1ccc(cc1)I","Fc1ccc(cc1)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1749,2249,"DIETHYLSULFIDE","352-93-2","CCSCC","CCSCC","CCSCC","CCSCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1750,null,"Glycocyamine","352-97-6","N=C(N)NCC(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[1751,1974,"FLUOROETHANE","353-36-6","CCF","CCF","CCF","CCF",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1752,1824,"BRUCINE","357-57-3","COc1c(cc2c(c1)N3C(CC4OCC=C5CN6CCC27C3C4C5CC76)=O)OC","COc1c(cc2c(c1)N3C(CC4OCC=C5CN6CCC27C3C4C5CC76)=O)OC","COc1c(cc2c(c1)N3C(CC4OCC=C5CN6CCC27C3C4C5CC76)=O)OC","COc1c(cc2c(c1)N3C(CC4OCC=C5CN6CCC27C3C4C5CC76)=O)OC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1753,null,"GLYCODEOXYCHOLIC ACID","360-65-6","CC(CCCNCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C","CC(CCCNCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C",null,null,2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Stereochemistry removed"]
[1754,null,"2,4,6-Cycloheptatrien-1-one, 3,5,7-tribromo-2-hy","363-67-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[1755,1214,"METOCLOPRAMIDE","364-62-5","CCN(CC)CCNC(=O)c1c(cc(c(c1)Cl)N)OC","CCN(CC)CCNC(=O)c1c(cc(c(c1)Cl)N)OC","CCN(CC)CCNC(=O)c1c(cc(c(c1)Cl)N)OC","CCN(CC)CCNC(=O)c1c(cc(c(c1)Cl)N)OC",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[1756,304,"2,2-BIPYRIDINE","366-18-7","c1cnc(cc1)-c2ncccc2","c1cnc(cc1)-c2ncccc2","c1cnc(cc1)-c2ncccc2","c1cnc(cc1)-c2ncccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1757,3008,"1,2-DIFLUOROBENZENE","367-11-3","Fc1c(cccc1)F","Fc1c(cccc1)F","Fc1c(cccc1)F","Fc1c(cccc1)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1758,3186,"L-Histidine, 3-methyl-","368-16-1","Cn1c(cnc1)CC(N)C(=O)O","Cn1c(cnc1)CC(N)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[1759,null,"BENZENEDIAZONIUM HEXAFLUOPHOSPHATE (1-)","369-58-4","F[P-](F)(F)(F)(F)F","F[P-](F)(F)(F)(F)F",null,"F[P-](F)(F)(F)(F)F",3,0,1,"NO","NO","Eliminate","-",null,"Inorganic"]
[1760,1975,"2-FLUOROETHANOL","371-62-0","OCCF","OCCF","OCCF","OCCF",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1761,2924,"ISOPESTOX","371-86-8","CC(C)NP(=O)(F)NC(C)C","CC(C)NP(=O)(F)NC(C)C","CC(C)NP(=O)(F)NC(C)C","CC(C)NP(=O)(F)NC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1762,3007,"M-DIFLUOROBENZENE","372-18-9","Fc1cc(ccc1)F","Fc1cc(ccc1)F","Fc1cc(ccc1)F","Fc1cc(ccc1)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1763,3100,"Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl est","372-31-6",null,"CCOC(=O)CC(=O)C(F)(F)F","CCOC(=O)CC(=O)C(F)(F)F","CCOC(=O)CC(=O)C(F)(F)F",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1764,2097,"1,1,1-TRIFLUORO-2-PROPANOL","374-01-6","CC(O)C(F)(F)F","CC(O)C(F)(F)F","CC(O)C(F)(F)F","CC(O)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1765,1890,"1,1-DICHLORO-1,2,2,2-TETRAFLUOROETHANE","374-07-2","FC(F)(F)C(F)(Cl)Cl","FC(F)(F)C(F)(Cl)Cl","FC(F)(F)C(F)(Cl)Cl","FC(F)(F)C(F)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1766,1805,"BETAMETHASONE","378-44-9","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",4,0,0,"NO","NO","Mantain","High Reliability","2","Stereochemistry removed"]
[1767,583,"5-ETHYL-5-(P-HYDROXYPHENYL)BARBITURIC ACID","379-34-0","CCC1(C(NC(NC1=O)=O)=O)c2ccc(cc2)O","CCC1(C(NC(NC1=O)=O)=O)c2ccc(cc2)O",null,"CCC1(C(NC(NC1=O)=O)=O)c2ccc(cc2)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1768,null,"Triphenyltin fluoride","379-52-2","c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1",null,"F[Sn](c1ccccc1)(c2ccccc2)c3ccccc3","F[Sn](c1ccccc1)(c2ccccc2)c3ccccc3",2,1,1,"NO","YES","Eliminate","-",null,"Unusual elements, Missing/ambiguous"]
[1769,1917,"Acetic acid, difluoro-","381-73-7","O=C(O)C(F)F","O=C(O)C(F)F","O=C(O)C(F)F","O=C(O)C(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1770,1651,"Andrenosterone","382-45-6",null,"CC12C(C3C(C(C1)=O)C4(C(CC3)=CC(=O)CC4)C)CCC2=O",null,null,1,0,3,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[1771,582,"NALIDIXIC ACID","389-08-2","CCn1c2c(c(c(c1)C(=O)O)=O)ccc(C)n2","CCn1c2c(c(c(c1)C(=O)O)=O)ccc(C)n2","CCn1c2c(c(c(c1)C(=O)O)=O)ccc(C)n2","CCn1c2c(c(c(c1)C(=O)O)=O)ccc(C)n2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1772,4060,"4-Fluoro-2-propyl-phenol","398-88-9","CCCc1c(ccc(c1)F)O",null,"CCCc1c(ccc(c1)F)O","CCCc1c(ccc(c1)F)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1773,3635,"Nidroxyzone","405-22-1","NC(=O)N(CCO)N=Cc1oc(cc1)[N+](=O)[O-]","NC(=O)N(CCO)N=Cc1oc(cc1)[N+](=O)[O-]",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[1774,2305,"FLUROXENE","406-90-6","C=COCC(F)(F)F","C=COCC(F)(F)F","C=COCC(F)(F)F","C=COCC(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1775,4341,"CYANAMIDE","420-04-2","N#CN","N#CN","N#CN","N#CN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1776,1804,"FLUOROMETHALONE","426-13-1","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(C3)C)=CC(=O)C=C4)C)(F)C(O)C2)C)O","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(C3)C)=CC(=O)C=C4)C)(F)C(O)C2)C)O","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(C3)C)=CC(=O)C=C4)C)(F)C(O)C2)C)O","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(C3)C)=CC(=O)C=C4)C)(F)C(O)C2)C)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1777,2335,"2,3-BUTANEDIONE","431-03-8","CC(=O)C(C)=O","CC(=O)C(C)=O","CC(=O)C(C)=O","CC(=O)C(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1778,3865,"Benzoic acid, 2-(trifluoromethyl)-","433-97-6","O=C(O)c1c(cccc1)C(F)(F)F","O=C(O)c1c(cccc1)C(F)(F)F",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[1779,1750,"Ethisterone","434-03-7","C#CC1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O","C#CC1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O","C#CC1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O","C#CC1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1780,1852,"LITHOCHOLIC ACID","434-13-9","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1781,1580,"NANDROLONE","434-22-0","CC12C(C3C(CC1)C4C(=CC(CC4)=O)CC3)CCC2O","CC12C(C3C(CC1)C4C(=CC(CC4)=O)CC3)CCC2O","CC12C(C3C(CC1)C4C(=CC(CC4)=O)CC3)CCC2O","CC12C(C3C(CC1)C4C(=CC(CC4)=O)CC3)CCC2O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1782,null,"Azuleno[6,5-b]furan-2,6-(3H,4H)-dione, 3a,7,7a,8","436-45-3",null,"CC=1C(CC2C1C(O)C3C(C(OC3CC2C)=O)C)=O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[1783,1796,"FENTANYL","437-38-7","CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3","CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3","CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3","CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1784,1109,"Gentisin","437-50-3","COc1cc2c(c(c1)O)c(=O)c3c(ccc(c3)O)o2","COc1cc2c(c(c1)O)c(=O)c3c(ccc(c3)O)o2","COc1cc2c(c(c1)O)c(=O)c3c(ccc(c3)O)o2","COc1cc2c(c(c1)O)c(=O)c3c(ccc(c3)O)o2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1785,1394,"DIAZEPAM","439-14-5","CN1c2c(C(=NCC1=O)c3ccccc3)cc(Cl)cc2","CN1c2c(C(=NCC1=O)c3ccccc3)cc(Cl)cc2","CN1c2c(C(=NCC1=O)c3ccccc3)cc(Cl)cc2","CN1c2c(C(=NCC1=O)c3ccccc3)cc(Cl)cc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1786,557,"Iodamide","440-58-4","CC(=O)NCc1c(c(c(c(c1I)NC(C)=O)I)C(=O)O)I","CC(=O)NCc1c(c(c(c(c1I)NC(C)=O)I)C(=O)O)I","CC(=O)NCc1c(c(c(c(c1I)NC(C)=O)I)C(=O)O)I","CC(=O)NCc1c(c(c(c(c1I)NC(C)=O)I)C(=O)O)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1787,1311,"3,9-Acridinediamine, 7-ethoxy-, monohydrate","442-16-0","CCOc1cc2c(cc1)nc3c(ccc(c3)N)c2N","CCOc1cc2c(cc1)nc3c(ccc(c3)N)c2N",null,"CCOc1cc2c(cc1)nc3c(ccc(c3)N)c2N",3,0,1,"NO","NO","Mantain","Medium Reliability","","Differences in counterions"]
[1788,3157,"METRONIDAZOLE","443-48-1","Cc1n(c(cn1)[N+](=O)[O-])CCO","Cc1n(c(cn1)[N+](=O)[O-])CCO","Cc1n(c(cn1)[N+](=O)[O-])CCO","Cc1n(c(cn1)[N+](=O)[O-])CCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1789,2848,"DL-Isoleucine","443-79-8","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","301, 1724, 3806, 3328","Stereochemistry removed"]
[1790,3403,"2-FLUOROBENZOIC ACID","445-29-4","O=C(O)c1c(cccc1)F","O=C(O)c1c(cccc1)F","O=C(O)c1c(cccc1)F","O=C(O)c1c(cccc1)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1791,3011,"5-FLUORO-2-NITROPHENOL","446-36-6","O=[N+]([O-])c1c(cc(cc1)F)O","O=[N+]([O-])c1c(cc(cc1)F)O","O=[N+]([O-])c1c(cc(cc1)F)O","O=[N+]([O-])c1c(cc(cc1)F)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1792,3976,"BENZENEACETIC ACID, 2,5-DIHYDROXY-","451-13-8","O=C(O)Cc1c(ccc(c1)O)O","O=C(O)Cc1c(ccc(c1)O)O","O=C(O)Cc1c(ccc(c1)O)O","O=C(O)Cc1c(ccc(c1)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1793,2618,"1H-Purin-2-amine","452-06-2","Nc1[nH]cc2-c(n1)ncn2","Nc1nc2c(cn1)[nH]cn2","Nc1nc2c(cn1)[nH]cn2","Nc1nc2c(cn1)[nH]cn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1794,4018,"ETHOXYZOLAMIDE","452-35-7","CCOc1cc2c(cc1)nc(S(N)(=O)=O)s2","CCOc1cc2c(cc1)nc(S(N)(=O)=O)s2","CCOc1cc2c(cc1)nc(S(N)(=O)=O)s2","CCOc1cc2c(cc1)nc(S(N)(=O)=O)s2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1795,2424,"3-Furanol, tetrahydro-","453-20-3","OC1COCC1","OC1COCC1","OC1COCC1","OC1COCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1796,3370,"Benzoic acid, 4-fluoro-3-nitro-","453-71-4","O=C(O)c1cc(c(cc1)F)[N+](=O)[O-]","O=C(O)c1cc(c(cc1)F)[N+](=O)[O-]","O=C(O)c1cc(c(cc1)F)[N+](=O)[O-]","O=C(O)c1cc(c(cc1)F)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1797,3401,"M-FLUOROBENZOIC ACID","455-38-9","O=C(O)c1cc(ccc1)F","O=C(O)c1cc(ccc1)F","O=C(O)c1cc(ccc1)F","O=C(O)c1cc(ccc1)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1798,3402,"P-FLUOROBENZOIC ACID","456-22-4","O=C(O)c1ccc(cc1)F","O=C(O)c1ccc(cc1)F","O=C(O)c1ccc(cc1)F","O=C(O)c1ccc(cc1)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1799,3445,"M-FLUOROBENZYL CHLORIDE","456-42-8","Fc1cc(ccc1)CCl","Fc1cc(ccc1)CCl","Fc1cc(ccc1)CCl","Fc1cc(ccc1)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1800,3788,"2-PROPYLPIPERIDINE","458-88-8","CCCC1NCCCC1","CCCC1NCCCC1","CCCC1NCCCC1","CCCC1NCCCC1",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1801,2271,"DIACETYLENE","460-12-8","C#CC#C","C#CC#C","C#CC#C","C#CC#C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1802,2122,"Ethane, 1,1-difluoro-2-methoxy-","461-57-4","COCC(F)F",null,"COCC(F)F","COCC(F)F",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1803,1961,"2-CYANOGUANIDINE","461-58-5","N#CN=C(N)N","N#CN=C(N)N","N#CNC(=N)N","N#CNC(=N)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1804,2071,"HYDANTOIN","461-72-3","O=C1NC(NC1)=O","O=C1NC(NC1)=O","O=C1NC(NC1)=O","O=C1NC(NC1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1805,3154,"2,6-DIMETHYL-4-PYRIMIDINAMINE","461-98-3","Cc1nc(nc(c1)N)C","Cc1nc(nc(c1)N)C",null,"Cc1nc(nc(c1)N)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1806,null,"1,3,5-Trioxane-2,4,6-triimine","462-02-2","N=c1oc(oc(o1)=N)=N",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[1807,3045,"FLUOROBENZENE","462-06-6","Fc1ccccc1","Fc1ccccc1","Fc1ccccc1","Fc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1808,2630,"3-AMINOPYRIDINE","462-08-8","Nc1cnccc1","Nc1cnccc1","Nc1cnccc1","Nc1cnccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1809,2129,"N-(AMINOCARBONYL)GLYCINE","462-60-2","NC(=O)NCC(=O)O","NC(=O)NCC(=O)O",null,"NC(=O)NCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1810,2400,".beta.-Alanine, N-(aminocarbonyl)-","462-88-4","NC(=O)NCCC(=O)O","NC(=O)NCCC(=O)O",null,"NC(=O)NCCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1811,2567,"DIETHOXYMETHANE","462-95-3","CCOCOCC","CCOCOCC","CCOCOCC","CCOCOCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1812,2542,"2,2-DIMETHYLPROPANE","463-82-1","CC(C)(C)C","CC(C)(C)C","CC(C)(C)C","CC(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1813,2889,"3,3-DIMETHYL-2-BUTANOL","464-07-3","CC(O)C(C)(C)C","CC(O)C(C)(C)C","CC(O)C(C)(C)C","CC(O)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1814,191,"d-Borneol","464-43-7","CC1(C2(CCC1CC2O)C)C","CC1(C2(CCC1CC2O)C)C","CC1(C2(CCC1CC2O)C)C","CC1(C2(CCC1CC2O)C)C",4,0,0,"NO","NO","Mantain","High Reliability","1941","Stereochemistry removed"]
[1815,169,"(1R,4R)-(+)-CAMPHOR","464-49-3","CC12C(CC(CC1)C2(C)C)=O","CC12C(CC(CC1)C2(C)C)=O","CC12C(CC(CC1)C2(C)C)=O","CC12C(CC(CC1)C2(C)C)=O",4,0,0,"NO","NO","Mantain","High Reliability","393","Stereochemistry removed"]
[1816,1647,"QUINAMINE","464-85-7","C=CC1C2CCN(C1)C(C2)C34C(c5c(N3)cccc5)(O)CCO4","C=CC1C2CCN(C1)C(C2)C34C(c5c(N3)cccc5)(O)CCO4","C=CC1C2CCN(C1)C(C2)C34C(c5c(N3)cccc5)(O)CCO4","C=CC1C2CCN(C1)C(C2)C34C(c5c(N3)cccc5)(O)CCO4",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1817,null,"Cyclopentanecarboxylic acid, 1,2,2,3-tetramethyl","464-88-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[1818,140,"CAMPHORQUINONE","465-29-2","CC12C(C(C(CC1)C2(C)C)=O)=O","CC12C(C(C(CC1)C2(C)C)=O)=O","CC12C(C(C(CC1)C2(C)C)=O)=O","CC12C(C(C(CC1)C2(C)C)=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1819,1808,"Aspidospermine","466-49-9","CCC12CCC3C4(CCN(CCC1)C24)c5c(c(ccc5)OC)N3C(C)=O","CCC12CCC3C4(CCN(CCC1)C24)c5c(c(ccc5)OC)N3C(C)=O","CCC12CCC3C4(CCN(CCC1)C24)c5c(c(ccc5)OC)N3C(C)=O","CCC12CCC3C4(CCN(CCC1)C24)c5c(c(ccc5)OC)N3C(C)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1820,1104,"FLURENOL","467-69-6","O=C(O)C1(c2c(-c3c1cccc3)cccc2)O","O=C(O)C1(c2c(-c3c1cccc3)cccc2)O","O=C(O)C1(c2c(-c3c1cccc3)cccc2)O","O=C(O)C1(c2c(-c3c1cccc3)cccc2)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1821,1561,"Thebainone","467-98-1",null,null,"COc1c(c2c(cc1)CC3N(CCC24C3C=CC(=O)C4)C)O","COc1c(c2c(cc1)CC3N(CCC24C3C=CC(=O)C4)C)O",2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[1822,1806,"PROPOXYPHENE","469-62-5","CCC(=O)OC(Cc1ccccc1)(c2ccccc2)C(C)CN(C)C","CCC(=O)OC(Cc1ccccc1)(c2ccccc2)C(C)CN(C)C","CCC(=O)OC(Cc1ccccc1)(c2ccccc2)C(C)CN(C)C","CCC(=O)OC(Cc1ccccc1)(c2ccccc2)C(C)CN(C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1823,null,"1,3-Cyclopentanedicarboxylic acid, 1,4,4-trimeth","470-64-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[1824,192,"1,8-CINEOLE","470-82-6","CC12CCC(CC1)C(C)(C)O2","CC12CCC(CC1)C(C)(C)O2","CC12CCC(CC1)C(C)(C)O2","CC12CCC(CC1)C(C)(C)O2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1825,604,"CHLORFENVINPHOS","470-90-6","CCOP(=O)(OCC)OC(=CCl)c1c(cc(cc1)Cl)Cl","CCOP(=O)(OCC)OC(=CCl)c1c(cc(cc1)Cl)Cl","CCOP(=O)(OCC)OC(=CCl)c1c(cc(cc1)Cl)Cl","CCOP(=O)(OCC)OC(=CCl)c1c(cc(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1826,2387,"1,1'-SULFONYLBIS(2-CHLOROETHANE)","471-03-4","O=S(=O)(CCCl)CCCl","O=S(=O)(CCCl)CCCl",null,"O=S(=O)(CCCl)CCCl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1827,2009,"METHYLGUANIDINE","471-29-4","CNC(=N)N","CN=C(N)N","CNC(=N)N","CNC(=N)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1828,1960,"OXAMIDE","471-46-5","NC(=O)C(N)=O","NC(=O)C(N)=O","NC(=O)C(N)=O","NC(=O)C(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1829,null,"2H-Pyran-2,5-dicarboxylic acid, tetrahydro-2,6,6","473-18-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[1830,4308,"Thiazolsulfone","473-30-3","Nc1ccc(cc1)S(=O)(=O)c2sc(nc2)N","Nc1ccc(cc1)S(=O)(=O)c2sc(nc2)N",null,"Nc1ccc(cc1)S(=O)(=O)c2sc(nc2)N",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1831,3503,"Benzenesulfonamide, N,N-dichloro-4-methyl-","473-34-7","Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl","Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl","Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl","Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1832,null,"Cyclopentaneacetic acid, 3-carboxy-.alpha.,.alph","473-35-8",null,"CC(C)(C(=O)O)C1CC(CC1)C(=O)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[1833,172,"Cyclobutaneacetic acid, 3-acetyl-2,2-dimethyl-","473-72-3","CC(=O)C1C(C(C1)CC(=O)O)(C)C","CC(=O)C1C(C(C1)CC(=O)O)(C)C","CC(=O)C1C(C(C1)CC(=O)O)(C)C","CC(=O)C1C(C(C1)CC(=O)O)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1834,2151,"Glyceric Acid","473-81-4","O=C(O)C(O)CO","O=C(O)C(O)CO",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[1835,1853,"CHENODEOXYCHOLIC ACID","474-25-9","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",4,0,0,"NO","NO","Mantain","High Reliability","1485","Stereochemistry removed"]
[1836,1558,"Equilin","474-86-2","CC12C(C=3C(CC1)c4c(CC3)cc(O)cc4)CCC2=O","CC12C(C=3C(CC1)c4c(CC3)cc(O)cc4)CCC2=O","CC12C(C=3C(CC1)c4c(CC3)cc(O)cc4)CCC2=O","CC12C(C=3C(CC1)c4c(CC3)cc(O)cc4)CCC2=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1837,1390,"Hematein","475-25-2","O=C1C(=CC=2C(=C1)CC3(C2c4c(OC3)c(c(cc4)O)O)O)O","O=C1C(=CC=2C(=C1)CC3(C2c4c(OC3)c(c(cc4)O)O)O)O","O=C1C(=CC=2C(=C1)CC3(C2c4c(OC3)c(c(cc4)O)O)O)O","O=C1C(=CC=2C(=C1)CC3(C2c4c(OC3)c(c(cc4)O)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1838,1875,"GLYCOCHOLIC ACID","475-31-0","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1839,1784,"Picropodophyllin","477-47-4","COc1c(c(cc(c1)C2C3C(C(c4c2cc5OCOc5c4)O)COC3=O)OC)OC","COc1c(c(cc(c1)C2C3C(C(c4c2cc5OCOc5c4)O)COC3=O)OC)OC","COc1c(c(cc(c1)C2C3C(C(c4c2cc5OCOc5c4)O)COC3=O)OC)OC","COc1c(c(cc(c1)C2C3C(C(c4c2cc5OCOc5c4)O)COC3=O)OC)OC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1840,null,"Safranine T","477-73-6","Cc1c(cc2c(c1)nc3c(ccc(c3C)N)[n+]2-c4ccccc4)N","Cc1c(cc2c(c1)nc3c(ccc(c3C)N)[n+]2-c4ccccc4)N","Cc1c(cc2c(c1)nc3c(cc(c(c3)C)N)[n+]2-c4ccccc4)N","Cc1c(cc2c(c1)nc3c(cc(c(c3)C)N)[n+]2-c4ccccc4)N",2,2,0,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[1841,125,"Dyphylline","479-18-5","Cn1c(n(c2c(c1=O)n(cn2)CC(O)CO)C)=O","Cn1c(n(c2c(c1=O)n(cn2)CC(O)CO)C)=O","Cn1c(n(c2c(c1=O)n(cn2)CC(O)CO)C)=O","Cn1c(n(c2c(c1=O)n(cn2)CC(O)CO)C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1842,1681,"CHOLANTHRENE","479-23-2","c1cc2c3c(c1)CCc3c4c(c5c(cc4)cccc5)c2","c1cc2c3c(c1)CCc3c4c(c5c(cc4)cccc5)c2","c1cc2c3c(c1)CCc3c4c(c5c(cc4)cccc5)c2",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1843,8,"1,8-NAPHTHALENEDIAMINE","479-27-6","Nc1c2c(ccc1)cccc2N","Nc1c2c(ccc1)cccc2N","Nc1c2c(ccc1)cccc2N","Nc1c2c(ccc1)cccc2N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1844,3413,"TETRYL","479-45-8","CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1845,null,"3h-pyrazol-3-one,1,2-dihydro-1,5-dimethyl-4-(1-","479-92-5",null,"Cc1n(n(c(c1C(C)C)=O)-c2ccccc2)C",null,"Cc1n(n(c(c1C(C)C)=O)-c2ccccc2)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[1846,1362,"Aucubin","479-98-1","OCC=1C2C(C(C1)O)C=COC2OC3C(C(C(C(O3)CO)O)O)O","OCC=1C2C(C(C1)O)C=COC2OC3C(C(C(C(O3)CO)O)O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[1847,1270,"MORIN","480-16-0","O=c1c2c(oc(c1O)-c3c(cc(cc3)O)O)cc(O)cc2O","O=c1c2c(oc(c1O)-c3c(cc(cc3)O)O)cc(O)cc2O","O=c1c2c(oc(c1O)-c3c(cc(cc3)O)O)cc(O)cc2O","O=c1c2c(oc(c1O)-c3c(cc(cc3)O)O)cc(O)cc2O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1848,73,"2,4,6-Trimethylbenzoic acid","480-63-7","Cc1cc(c(c(c1)C)C(=O)O)C","Cc1cc(c(c(c1)C)C(=O)O)C","Cc1cc(c(c(c1)C)C(=O)O)C","Cc1cc(c(c(c1)C)C(=O)O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1849,3975,"Benzoic acid, 2,6-dihydroxy-4-methyl-","480-67-1","Cc1cc(c(c(c1)O)C(=O)O)O","Cc1cc(c(c(c1)O)C(=O)O)O","Cc1cc(c(c(c1)O)C(=O)O)O","Cc1cc(c(c(c1)O)C(=O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1850,2275,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro-","480-68-2","O=C1NC(C(C(N1)=O)[N+](=O)[O-])=O","O=C1NC(C(C(N1)=O)[N+](=O)[O-])=O","O=C1NC(C(C(N1)=O)[N+](=O)[O-])=O","O=C1NC(C(C(N1)=O)[N+](=O)[O-])=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1851,1339,"SANTONIN","481-06-1","CC=1C(C=CC2(C1C3C(C(C(O3)=O)C)CC2)C)=O","CC=1C(C=CC2(C1C3C(C(C(O3)=O)C)CC2)C)=O","CC=1C(C=CC2(C1C3C(C(C(O3)=O)C)CC2)C)=O","CC=1C(C=CC2(C1C3C(C(C(O3)=O)C)CC2)C)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1852,1662,"Epiandrosterone","481-29-8","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O",4,0,0,"NO","NO","Mantain","High Reliability","71, 1982","Stereochemistry removed"]
[1853,4139,"Ecgonine","481-37-8","CN1C2CCC1CC(C2C(=O)O)O","CN1C2CCC1CC(C2C(=O)O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[1854,521,"1,4-Naphthalenedione, 5-hydroxy-2-methyl-","481-42-5","CC=1C(c2c(C(C1)=O)c(O)ccc2)=O","CC=1C(c2c(C(C1)=O)c(O)ccc2)=O","CC=1C(c2c(C(C1)=O)c(O)ccc2)=O","CC=1C(c2c(C(C1)=O)c(O)ccc2)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1855,1108,"1,1'-BIPHENYL -2,2'-DICARBOXYLIC ACID","482-05-3","O=C(O)c1c(cccc1)-c2c(cccc2)C(=O)O","O=C(O)c1c(cccc1)-c2c(cccc2)C(=O)O","O=C(O)c1c(cccc1)-c2c(cccc2)C(=O)O","O=C(O)c1c(cccc1)-c2c(cccc2)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1856,3523,"Fervenulin","483-57-8","Cn1c(n(c2c(c1=O)ncnn2)C)=O","Cn1c(n(c2c(c1=O)ncnn2)C)=O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[1857,1321,"Osthole","484-12-8","COc1c(c2c(cc1)ccc(=O)o2)CC=C(C)C","COc1c(c2c(cc1)ccc(=O)o2)CC=C(C)C","COc1c(c2c(cc1)ccc(=O)o2)CC=C(C)C","COc1c(c2c(cc1)ccc(=O)o2)CC=C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1858,1335,"BINAPACRYL","485-31-4","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1859,411,"CYTISINE","485-35-8","O=c1n2c(ccc1)C3CNCC(C2)C3","O=c1n2c(ccc1)C3CNCC(C2)C3",null,"O=c1n2c(ccc1)C3CNCC(C2)C3",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[1860,170,"Iridomyrmecin","485-43-8","CC1C2C(CC1)C(C)C(=O)OC2","CC1C2C(CC1)C(C)C(=O)OC2","CC1C2C(CC1)C(C)C(=O)OC2","CC1C2C(CC1)C(C)C(=O)OC2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1861,1646,"Hydrocinchonine","485-65-4","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1862,1638,"CINCHONIDINE","485-71-2","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",null,"C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",3,0,1,"NO","NO","Mantain","Medium Reliability","1317","Stereochemistry removed"]
[1863,null,"PYRROLO[2,1-b]QUINAZOLIN-9(1H)-ONE,2,3-DIHYDRO-3","486-64-6",null,"O=c1n2c(nc3c1cccc3)C(CC2)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[1864,640,"Caulophylline","486-86-2","CN1CC2CC(C1)Cn3c2cccc3=O","CN1CC2CC(C1)Cn3c2cccc3=O","CN1CC2CC(C1)Cn3c2cccc3=O","CN1CC2CC(C1)Cn3c2cccc3=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1865,3028,"Lumazine","487-21-8","O=c1[nH]c2c(c([nH]1)=O)nccn2","O=c1[nH]c2c(c([nH]1)=O)nccn2","Oc1nc2c(c(n1)O)nccn2","Oc1nc2c(c(n1)O)nccn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1866,1879,"Phillyrin","487-41-2","COc1c(cc(cc1)C2C3C(CO2)C(c4cc(c(cc4)OC5C(C(C(C(O5)CO)O)O)O)OC)OC3)OC","COc1c(cc(cc1)C2C3C(CO2)C(c4cc(c(cc4)OC5C(C(C(C(O5)CO)O)O)O)OC)OC3)OC","COc1c(cc(cc1)C2C3C(CO2)C(c4cc(c(cc4)OC5C(C(C(C(O5)CO)O)O)O)OC)OC3)OC","COc1c(cc(cc1)C2C3C(CO2)C(c4cc(c(cc4)OC5C(C(C(C(O5)CO)O)O)O)OC)OC3)OC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1867,null,"1h-pyrrole-3-propanoicacid,2,5-dihydro-4-methy","487-65-0",null,"CC=1C(NC(C1CCC(=O)O)=O)=O",null,"CC=1C(NC(C1CCC(=O)O)=O)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[1868,3331,"D-glycero-D-manno-Heptitol","488-38-0","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",4,0,0,"NO","NO","Mantain","High Reliability","2810, 3371","Stereochemistry removed"]
[1869,2835,"Scyllitol","488-59-5","OC1C(C(C(C(C1O)O)O)O)O","OC1C(C(C(C(C1O)O)O)O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","603","Checked on ChemID, Checked on PubChem"]
[1870,2834,"d-Quercitol","488-73-3","OC1C(C(C(C(C1)O)O)O)O","OC1C(C(C(C(C1)O)O)O)O","OC1C(C(C(C(C1)O)O)O)O","OC1C(C(C(C(C1)O)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1871,1331,"Azulene, 1,4-dimethyl-7-(1-methylethyl)-","489-84-9","Cc1c2-c(cc(cc1)C(C)C)c(C)cc2","Cc1c2-c(cc(cc1)C(C)C)c(C)cc2","Cc1c2-c(cc(cc1)C(C)C)c(C)cc2","Cc1c2-c(cc(cc1)C(C)C)c(C)cc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1872,3421,"CINCHOMERONIC ACID","490-11-9","O=C(O)c1c(cncc1)C(=O)O","O=C(O)c1c(cncc1)C(=O)O","O=C(O)c1c(cncc1)C(=O)O","O=C(O)c1c(cncc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1873,4241,"1,3-Benzodioxole-5,6-dicarboxylic acid","490-26-6","O=C(O)c1c(cc2c(c1)OCO2)C(=O)O",null,"O=C(O)c1c(cc2c(c1)OCO2)C(=O)O","O=C(O)c1c(cc2c(c1)OCO2)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1874,null,"ICHTHYOPTE","490-58-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[1875,1657,"MONOTROPITOSIDE","490-67-5","COC(=O)c1c(cccc1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O","COC(=O)c1c(cccc1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O","COC(=O)c1c(cccc1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O","COC(=O)c1c(cccc1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1876,3485,"2,5-DIHYDROXYBENZOIC ACID","490-79-9","O=C(O)c1c(ccc(c1)O)O","O=C(O)c1c(ccc(c1)O)O","O=C(O)c1c(ccc(c1)O)O","O=C(O)c1c(ccc(c1)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1877,4260,"1(2H)-ISOQUINOLINONE","491-30-5","O=c1c2c(cc[nH]1)cccc2","O=c1c2c(cc[nH]1)cccc2","O=c1c2c(cc[nH]1)cccc2","O=c1c2c(cc[nH]1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1878,1290,"CHRYSAROBIN","491-59-8","Cc1cc2c(c(c1)O)C(c3c(C2)cccc3O)=O","Cc1cc2c(c(c1)O)c(O)c3c(cccc3O)c2","Cc1cc2c(c(c1)O)c(O)c3c(cccc3O)c2","Cc1cc2c(c(c1)O)c(O)c3c(cccc3O)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1879,3056,"Leucopterin","492-11-5","Nc1[nH]c2c(c(n1)=O)[nH]c(=O)c(=O)[nH]2","Nc1[nH]c2c(c(n1)=O)[nH]c(=O)c(=O)[nH]2","Nc1[nH]c2c(c(n1)=O)[nH]c(=O)c(=O)[nH]2","Nc1[nH]c2c(c(n1)=O)[nH]c(=O)c(=O)[nH]2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1880,null,"Mersalyl","492-18-2",null,null,"COC(CNC(=O)c1c(cccc1)OCC(=O)O)C[Hg]O",null,1,0,3,"NO","NO","Eliminate","-",null,"Unusual elements"]
[1881,4280,"Atropic acid","492-38-6","C=C(C(=O)O)c1ccccc1","C=C(C(=O)O)c1ccccc1","C=C(C(=O)O)c1ccccc1","C=C(C(=O)O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1882,4116,"2-amino-1-phenyl-propan-1-ol","492-39-7","CC(N)C(O)c1ccccc1","CC(N)C(O)c1ccccc1",null,"CC(N)C(O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[1883,2836,"alpha-D-Glucose","492-62-6","OCC1C(C(C(C(O1)O)O)O)O","OCC1C(C(C(C(O1)O)O)O)O","OCC1C(C(C(C(O1)O)O)O)O","OCC1C(C(C(C(O1)O)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1884,1151,"Hydrobenzoin","492-70-6","OC(c1ccccc1)C(O)c2ccccc2","OC(c1ccccc1)C(O)c2ccccc2",null,null,2,0,2,"NO","NO","Mantain","High Reliability","2220","Checked on ChemID, Checked on PubChem"]
[1885,585,"1,3-Cyclohexanedione, 5-phenyl-","493-72-1","O=C1CC(CC(C1)=O)c2ccccc2","O=C1CC(CC(=C1)O)c2ccccc2","O=C1CC(CC(C1)=O)c2ccccc2","O=C1CC(CC(C1)=O)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1886,null,"Acridine, 3,6-bis(dimethylamino)-","494-38-2","CN(C)c1cc2c(cc1)cc3c(cc(cc3)N(C)C)n2","CN(C)c1cc2c(cc1)nc3c(c(ccc3)N(C)C)c2",null,"CN(C)c1cc2c(cc1)cc3c(cc(cc3)N(C)C)n2",2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[1887,119,"ANABASINE","494-52-0","c1cc(cnc1)C2NCCCC2","c1cc(cnc1)C2NCCCC2","c1cc(cnc1)C2NCCCC2","c1cc(cnc1)C2NCCCC2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1888,3576,"Gentisyl Alcohol","495-08-9","OCc1c(ccc(c1)O)O","OCc1c(ccc(c1)O)O","OCc1c(ccc(c1)O)O","OCc1c(ccc(c1)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1889,4318,"HIPPURIC ACID","495-69-2","O=C(O)CNC(=O)c1ccccc1","O=C(O)CNC(=O)c1ccccc1","O=C(O)CNC(=O)c1ccccc1","O=C(O)CNC(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1890,988,"BAYER 15080","495-73-8","O=Nc1ccc(cc1)NNC(=O)c2ccccc2","O=Nc1ccc(cc1)NNC(=O)c2ccccc2","O=C(NN=C1C=CC(C=C1)=NO)c2ccccc2","O=C(NN=C1C=CC(C=C1)=NO)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1891,987,"Salinazid","495-84-1","O=C1C(C=CC=C1)=CNNC(=O)c2ccncc2","O=C1C(C=CC=C1)=CNNC(=O)c2ccncc2","O=C(NN=Cc1c(cccc1)O)c2ccncc2","O=C(NN=Cc1c(cccc1)O)c2ccncc2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1892,4004,"INDANE","496-11-7","c1cc2c(cc1)CCC2","c1cc2c(cc1)CCC2","c1cc2c(cc1)CCC2","c1cc2c(cc1)CCC2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1893,3985,"1H-Indole, 2,3-dihydro-","496-15-1","c1cc2c(cc1)NCC2","c1cc2c(cc1)NCC2","c1cc2c(cc1)NCC2","c1cc2c(cc1)NCC2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1894,2669,"2-Butenal, 2-methyl-, (E)-","497-03-0","CC=C(C)C=O","CC=C(C)C=O","CC=C(C)C=O","CC=C(C)C=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1895,2423,"1,3-Dioxolane, 2-methyl-","497-26-7","CC1OCCO1","CC1OCCO1","CC1OCCO1","CC1OCCO1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1896,3179,"NORCAMPHOR","497-38-1","O=C1C2CCC(C1)C2","O=C1C2CCC(C1)C2",null,"O=C1C2CCC(C1)C2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1897,null,"2H-Pyran-2,6-dicarboxylic acid, 3,4-dihydro-3,4-","497-58-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[1898,3377,"3-HYDROXY-4-OXO-4H-PYRAN-2,6-DICARBOXYLIC ACID","497-59-6","O=C(O)c1oc(c(c(c1)=O)O)C(=O)O","O=C(O)C=1OC(C(C(C1)=O)=O)=C(O)O","O=C(O)c1oc(c(c(c1)=O)O)C(=O)O","O=C(O)c1oc(c(c(c1)=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1899,4041,"Ethanone, 1-(4-hydroxy-3-methoxyphenyl)-","498-02-2","COc1c(ccc(c1)C(C)=O)O","COc1c(ccc(c1)C(C)=O)O","COc1c(ccc(c1)C(C)=O)O","COc1c(ccc(c1)C(C)=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1900,2524,"Norvaline","498-18-0","CCCC(N)C(=O)O","CCCC(N)C(=O)O","CCCC(N)C(=O)O",null,3,0,1,"NO","NO","Mantain","Medium Reliability","2675, 3767","Stereochemistry removed"]
[1901,2681,"METHYLSUCCINIC ACID","498-21-5","CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","3406"]
[1902,2645,"Citraconic acid","498-23-7","CC(=CC(=O)O)C(=O)O","CC(=CC(=O)O)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","801, 1903","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[1903,2645,"2-Butenedioic acid, 2-methyl-, (E)-","498-24-8","CC(=CC(=O)O)C(=O)O","CC(=CC(=O)O)C(=O)O",null,"CC(=CC(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","801, 1902","Stereochemistry removed"]
[1904,193,"Sobrerol","498-71-5","CC=1C(CC(CC1)C(C)(C)O)O","CC=1C(CC(CC1)C(C)(C)O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[1905,3096,"1-Propene-1,2,3-tricarboxylic acid","499-12-7","O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","2253","Stereochemistry removed"]
[1906,165,"6-METHYL-3-ISOPROPYL-2-CYCLOHEXEN-1-ONE","499-74-1","CC(C)C=1CCC(C(C1)=O)C","CC(C)C=1CCC(C(C1)=O)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","3880","Checked on ChemID, Checked on PubChem"]
[1907,135,"Phenol, 2-methyl-5-(1-methylethyl)-","499-75-2","Cc1c(cc(cc1)C(C)C)O","Cc1c(cc(cc1)C(C)C)O","Cc1c(cc(cc1)C(C)C)O","Cc1c(cc(cc1)C(C)C)O",4,0,0,"NO","NO","Mantain","High Reliability","847, 3146, 3758"]
[1908,3422,"2,4-PYRIDINEDICARBOXYLIC ACID","499-80-9","O=C(O)c1cc(ncc1)C(=O)O","O=C(O)c1cc(ncc1)C(=O)O","O=C(O)c1cc(ncc1)C(=O)O","O=C(O)c1cc(ncc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1909,null,"DINICOTINIC ACID","499-81-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Organic counterion, Missing/ambiguous"]
[1910,3423,"PYRIDINE-2,6-DICARBOXYLIC ACID","499-83-2","O=C(O)c1nc(ccc1)C(=O)O","O=C(O)c1nc(ccc1)C(=O)O","O=C(O)c1nc(ccc1)C(=O)O","O=C(O)c1nc(ccc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1911,3981,"3-CHLORO-DIMETHYL PARATHION","500-28-7",null,"COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])Cl","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])Cl","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1912,1352,"BETA-EUCAINE","500-34-5","CC1NC(CC(C1)OC(=O)c2ccccc2)(C)C","CC1NC(CC(C1)OC(=O)c2ccccc2)(C)C","CC1NC(CC(C1)OC(=O)c2ccccc2)(C)C","CC1NC(CC(C1)OC(=O)c2ccccc2)(C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1913,3921,"ACETIC ACID, OXO(PHENYLAMINO)-","500-72-1","O=C(O)C(=O)Nc1ccccc1","O=C(O)C(=O)Nc1ccccc1","O=C(O)C(=O)Nc1ccccc1","O=C(O)C(=O)Nc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1914,46,"Glycine, N-(phenylacetyl)-","500-98-1","O=C(O)CNC(=O)Cc1ccccc1","O=C(O)CNC(=O)Cc1ccccc1",null,"O=C(O)CNC(=O)Cc1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1915,4035,"BETA-PHENYLPROPIONIC ACID","501-52-0","O=C(O)CCc1ccccc1","O=C(O)CCc1ccccc1","O=C(O)CCc1ccccc1","O=C(O)CCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1916,54,"N-benzyl-3-chloropropanamide","501-68-8","O=C(CCCl)NCc1ccccc1","O=C(CCCl)NCc1ccccc1","O=C(CCCl)NCc1ccccc1","O=C(CCCl)NCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1917,4288,"BENZENEACETIC ACID, 4-CARBOXY-","501-89-3","O=C(O)Cc1ccc(cc1)C(=O)O","O=C(O)Cc1ccc(cc1)C(=O)O","O=C(O)Cc1ccc(cc1)C(=O)O","O=C(O)Cc1ccc(cc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1918,null,"Methylmercury Dicyandiamide","502-39-6",null,null,"C[Hg]NC(=N)NC#N","C[Hg]NC(=N)NC#N",2,0,2,"NO","NO","Eliminate","-",null,"Unusual elements"]
[1919,2635,"2-Butenoic acid, 4-[(aminocarbonyl)amino]-4-oxo-","502-45-4","NC(=O)NC(=O)C=CC(=O)O",null,"N=C(O)N=C(O)C=CC(=O)O","N=C(O)N=C(O)C=CC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1920,null,"2-Heptenedioic acid, 4-oxo-","502-51-2","O=C(O)C=CC(=O)CCC(=O)O",null,null,"O=C(O)C1C(OC=C1)=O",0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[1921,2725,"BIS(ETHYLXANTHOGEN)","502-55-6","CCOC(=S)SSC(=S)OCC","CCOC(=S)SSC(=S)OCC","CCOC(=S)SSC(=S)OCC","CCOC(=S)SSC(=S)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1922,4176,"5-NONANONE","502-56-7","CCCCC(=O)CCCC","CCCCC(=O)CCCC","CCCCC(=O)CCCC","CCCCC(=O)CCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1923,2137,"TRIMETHYLENEOXIDE","503-30-0","C1COC1","C1COC1","C1COC1","C1COC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1924,4363,"METHANEDISULFONIC ACID","503-40-2","O=S(=O)(O)CS(=O)(=O)O","O=S(=O)(O)CS(=O)(=O)O","O=S(=O)(O)CS(=O)(=O)O","O=S(=O)(O)CS(=O)(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","2697"]
[1925,2333,"(Z)-2-BUTENOIC ACID (ISOCROTONIC ACID)","503-64-0","CC=CC(=O)O","CC=CC(=O)O","CC=CC(=O)O","CC=CC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1060, 3420","Stereochemistry removed, Differences in counterions"]
[1926,2498,"ISOVALERIC ACID","503-74-2","CC(C)CC(=O)O","CC(C)CC(=O)O","CC(C)CC(=O)O","CC(C)CC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1927,2629,"4-AMINOPYRIDINE","504-24-5","Nc1ccncc1","Nc1ccncc1","Nc1ccncc1","Nc1ccncc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1928,2631,"2-AMINOPYRIDINE","504-29-0","Nc1ncccc1","Nc1ncccc1","Nc1ncccc1","Nc1ncccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1929,2427,"1,4-DITHIANE","505-29-3","C1SCCSC1","C1SCCSC1","C1SCCSC1","C1SCCSC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1930,2696,"Propane, 1-isothiocyanato-3-(methylsulfonyl)-","505-34-0","CS(=O)(=O)CCCN=C=S","CS(=O)(=O)CCCN=C=S","CS(=O)(=O)CCCN=C=S","CS(=O)(=O)CCCN=C=S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1931,3734,"SUBERIC ACID","505-48-6","O=C(O)CCCCCCC(=O)O","O=C(O)CCCCCCC(=O)O","O=C(O)CCCCCCC(=O)O","O=C(O)CCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1932,1075,"Tridecanedioic acid","505-52-2","O=C(O)CCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1933,2389,"DI-2-CHLOROETHYL SULFIDE","505-60-2","ClCCSCCCl","ClCCSCCCl","ClCCSCCCl","ClCCSCCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1934,3095,"2,4-Hexadienedioic acid,","505-70-4",null,"O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","3402","Stereochemistry removed"]
[1935,2702,".beta.-Alanine, N-(carboxymethyl)-","505-72-6","O=C(O)CCNCC(=O)O","O=C(O)CCNCC(=O)O",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[1936,null,"(R)-nona-3,4-diene-6,8-diyn-1-ol","505-97-5",null,null,"C#CC#CC=C=CCCO","C#CC#CC=C=CCCO",2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[1937,4332,"CYANOGEN CHLORIDE","506-77-4","N#CCl","N#CCl","N#CCl","N#CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1938,4383,"Iodine cyanide","506-78-5","N#CI","N#CI","N#CI","N#CI",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1939,2430,"2-BROMO-2-METHYLPROPANE","507-19-7","CC(C)(C)Br","CC(C)(C)Br","CC(C)(C)Br","CC(C)(C)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1940,2434,"T-BUTYL CHLORIDE","507-20-0","CC(C)(C)Cl","CC(C)(C)Cl","CC(C)(C)Cl","CC(C)(C)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1941,191,"BORNEOL","507-70-0","CC1(C2(CCC1CC2O)C)C","CC1(C2(CCC1CC2O)C)C","CC1(C2(CCC1CC2O)C)C","CC1(C2(CCC1CC2O)C)C",4,0,0,"NO","NO","Mantain","High Reliability","1814","Stereochemistry removed"]
[1942,4129,"1,2,3-Butanetricarboxylic acid, 2,3-dimethyl-","508-34-9","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O",null,"CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1943,1881,"Hydrocortisone tebutate","508-96-3","CC(C)(C)CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O","CC(C)(C)CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O","CC(C)(C)CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O","CC(C)(C)CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1944,4384,"TETRANITROMETHANE","509-14-8","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1945,1831,"PHOLCODINE","509-67-1","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5OCCN6CCOCC6)C(O)C=C3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5OCCN6CCOCC6)C(O)C=C3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5OCCN6CCOCC6)C(O)C=C3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5OCCN6CCOCC6)C(O)C=C3",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1946,1043,"HEPTABARBITAL","509-86-4","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCCC2","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCCC2","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCCC2","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCCC2",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[1947,null,"2,4,6(1h,3h,5h)-pyrimidinetrione,5-ethyl-5-(1-p","509-87-5",null,"CCC1(C(NC(NC1=O)=O)=O)N2CCCCC2",null,"CCC1(C(NC(NC1=O)=O)=O)N2CCCCC2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[1948,1402,"CHLOROBENZILATE","510-15-6","CCOC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl","CCOC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl","CCOC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl","CCOC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1949,3218,"Propanedioic acid, diethyl-","510-20-3","CCC(CC)(C(=O)O)C(=O)O","CCC(CC)(C(=O)O)C(=O)O","CCC(CC)(C(=O)O)C(=O)O","CCC(CC)(C(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1950,2770,"Butanamide, 2-bromo-2-ethyl-","511-70-6","CCC(Br)(CC)C(N)=O","CCC(Br)(CC)C(N)=O","CCC(Br)(CC)C(N)=O","CCC(Br)(CC)C(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1951,1882,"Diosgenin","512-04-9","CC1COC2(CC1)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C","CC1COC2(CC1)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C","CC1COC2(CC1)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C","CC1COC2(CC1)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1952,2203,"TRIMETHYL PHOSPHATE","512-56-1","COP(=O)(OC)OC","COP(=O)(OC)OC","COP(=O)(OC)OC","COP(=O)(OC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1953,null,"Tricyclo[2.2.1.02,6]heptane-1-carboxylic acid, 7","512-60-7",null,"CC1(C2(C3CC1CC32)C(=O)O)C",null,null,1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on ChemID"]
[1954,1588,"RAFFINOSE","512-69-6","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1955,4217,"TRIPROPYL PHOSPHATE","513-08-6","CCCOP(=O)(OCCC)OCCC","CCCOP(=O)(OCCC)OCCC","CCCOP(=O)(OCCC)OCCC","CCCOP(=O)(OCCC)OCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1956,2471,"2-METHYL-2-BUTENE","513-35-9","CC=C(C)C","CC=C(C)C","CC=C(C)C","CC=C(C)C",4,0,0,"NO","NO","Mantain","High Reliability","2177, 2178"]
[1957,2433,"ISOBUTYL CHLORIDE","513-36-0","CC(C)CCl","CC(C)CCl","CC(C)CCl","CC(C)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1958,2359,"1-CHLORO-2-METHYLPROPENE","513-37-1","CC(C)=CCl","CC(C)=CCl","CC(C)=CCl","CC(C)=CCl",4,0,0,"NO","NO","Mantain","High Reliability","2179"]
[1959,2410,"Methallyl alcohol","513-42-8","C=C(C)CO","C=C(C)CO","C=C(C)CO","C=C(C)CO",4,0,0,"NO","NO","Mantain","High Reliability","450"]
[1960,2438,"2-IODOBUTANE","513-48-4","CCC(C)I","CCC(C)I","CCC(C)I","CCC(C)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1961,2248,"2-BUTANETHIOL","513-53-1","CCC(C)S","CCC(C)S","CCC(C)S","CCC(C)S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1962,2710,"2,3-DIMETHYL-1,3-BUTADIENE","513-81-5","C=C(C)C(=C)C","C=C(C)C(=C)C","C=C(C)C(=C)C","C=C(C)C(=C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1963,2233,"2,3-BUTANEDIOL","513-85-9","CC(O)C(C)O","CC(O)C(C)O","CC(O)C(C)O","CC(O)C(C)O",4,0,0,"NO","NO","Mantain","High Reliability","3590","Stereochemistry removed"]
[1964,2418,"ACETOIN","513-86-0","CC(=O)C(C)O","CC(=O)C(C)O","CC(=O)C(C)O","CC(=O)C(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1965,1718,"Abietic acid","514-10-3","CC(C)C=1CCC2C(C1)=CCC3C2(CCCC3(C)C(=O)O)C","CC(C)C=1CCC2C(C1)=CCC3C2(CCCC3(C)C(=O)O)C","CC(C)C=1CCC2C(C1)=CCC3C2(CCCC3(C)C(=O)O)C","CC(C)C=1CCC2C(C1)=CCC3C2(CCCC3(C)C(=O)O)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1966,1663,"3,11-Dihydroxy-androstan-17-one","514-17-0","CC12C(C3C(C(C1)O)C4(C(CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(C(C1)O)C4(C(CC3)CC(O)CC4)C)CCC2=O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[1967,null,"benzeneaceticacid,.alpha.-hydroxy-.alpha.-meth","515-30-0",null,"CC(O)(C(=O)O)c1ccccc1",null,"CC(O)(C(=O)O)c1ccccc1",2,0,2,"NO","NO","Manual Check","Verify Name"]
[1968,3659,"ETHYL BENZENESULFONATE","515-46-8","CCOS(=O)(=O)c1ccccc1","CCOS(=O)(=O)c1ccccc1","CCOS(=O)(=O)c1ccccc1","CCOS(=O)(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1969,3599,"Sulfathiourea","515-49-1","NC(=S)NS(=O)(=O)c1ccc(cc1)N","NC(=S)NS(=O)(=O)c1ccc(cc1)N","NC(=S)NS(=O)(=O)c1ccc(cc1)N","NC(=S)NS(=O)(=O)c1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability","2855"]
[1970,33,"Sulfamethylthiazole","515-59-3","Cc1nc(sc1)NS(=O)(=O)c2ccc(cc2)N","Cc1nc(sc1)NS(=O)(=O)c2ccc(cc2)N","Cc1nc(sc1)NS(=O)(=O)c2ccc(cc2)N","Cc1nc(sc1)NS(=O)(=O)c2ccc(cc2)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1971,614,"SULFISOMIDINE","515-64-0","Cc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C","Cc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C","Cc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C","Cc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1972,2345,"METHYL MALONIC ACID","516-05-2","CC(C(=O)O)C(=O)O","CC(C(=O)O)C(=O)O",null,"CC(C(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1973,2527,"DL-Valine","516-06-3","CC(C)C(N)C(=O)O","CC(C)C(N)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","291","Checked on ChemID, Checked on PubChem"]
[1974,1552,"Equilenin","517-09-9","CC12C(c3c(CC1)c4c(cc3)cc(O)cc4)CCC2=O","CC12C(c3c(CC1)c4c(cc3)cc(O)cc4)CCC2=O","CC12C(c3c(CC1)c4c(cc3)cc(O)cc4)CCC2=O","CC12C(c3c(CC1)c4c(cc3)cc(O)cc4)CCC2=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1975,3141,"3-acetyl-4,5-dihydro-2(3H)-furanone","517-23-7","CC(=O)C1C(OCC1)=O","CC(=O)C1C(OCC1)=O","CC(=O)C1C(OCC1)=O","CC(=O)C1C(OCC1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1976,null,"2,3-Pyridinedicarboxylic acid, 4-methyl-","517-40-8","Cc1c(c(ncc1)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[1977,1783,"beta-Peltatin","518-29-6","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)OC","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)OC","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)OC","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)OC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1978,1676,"FLUORESCEIN","518-45-6","O=C1c2c(C3(O1)c4c(Oc5c3ccc(O)c5)cc(O)cc4)cccc2","O=C1c2c(C3(O1)c4c(Oc5c3ccc(O)c5)cc(O)cc4)cccc2","O=C1c2c(C3(O1)c4c(Oc5c3ccc(O)c5)cc(O)cc4)cccc2",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[1979,21,"6-Formyl-2,3-dimethoxybenzoic acid","519-05-1","COc1c(c(c(cc1)C=O)C(=O)O)OC","COc1c(c(c(cc1)C=O)C(=O)O)OC",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[1980,979,"Maclurin","519-34-6","O=C(c1cc(c(cc1)O)O)c2c(cc(cc2O)O)O","O=C(c1cc(c(cc1)O)O)c2c(cc(cc2O)O)O","O=C(c1cc(c(cc1)O)O)c2c(cc(cc2O)O)O","O=C(c1cc(c(cc1)O)O)c2c(cc(cc2O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1981,1036,"Dioxypyramidon","519-65-3","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1982,1662,"ANDROSTAN-3-ONE, 17-HYDROXY-, (5ALPHA,17BETA)-","521-18-6","CC12C(C3C(CC1)C4(C(CC3)CC(=O)CC4)C)CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC(=O)CC4)C)CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC(=O)CC4)C)CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC(=O)CC4)C)CCC2O",4,0,0,"NO","NO","Mantain","High Reliability","71, 1852","Stereochemistry removed"]
[1983,4224,"8-Quinolinol, 5,7-dibromo-","521-74-4","Oc1c2c(c(cc1Br)Br)cccn2","Oc1c2c(c(cc1Br)Br)cccn2","Oc1c2c(c(cc1Br)Br)cccn2","Oc1c2c(c(cc1Br)Br)cccn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1984,1708,"HYDROQUININE","522-66-7","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1985,3695,"PYRIDOXAMINE","524-36-7","Cc1c(c(c(cn1)CO)CN)O","Cc1c(c(c(cn1)CO)CN)O","Cc1c(c(c(cn1)CO)CN)O","Cc1c(c(c(cn1)CO)CN)O",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[1986,3938,"RICIDINE","524-40-3","COc1c(c(n(cc1)C)=O)C#N","COc1c(c(n(cc1)C)=O)C#N","COc1c(c(n(cc1)C)=O)C#N","COc1c(c(n(cc1)C)=O)C#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1987,321,"1,6-Naphthalenedisulfonic acid","525-37-1","O=S(=O)(O)c1cc2c(cc1)c(S(=O)(=O)O)ccc2","O=S(=O)(O)c1cc2c(cc1)c(S(=O)(=O)O)ccc2","O=S(=O)(O)c1cc2c(cc1)c(S(=O)(=O)O)ccc2","O=S(=O)(O)c1cc2c(cc1)c(S(=O)(=O)O)ccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1988,1438,"PROPRANOLOL","525-66-6","CC(C)NCC(O)COc1c2c(ccc1)cccc2","CC(C)NCC(O)COc1c2c(ccc1)cccc2","CC(C)NCC(O)COc1c2c(ccc1)cccc2","CC(C)NCC(O)COc1c2c(ccc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1989,1301,"SULFAPHENAZOLE","526-08-9","Nc1ccc(cc1)S(=O)(=O)Nc2n(ncc2)-c3ccccc3","Nc1ccc(cc1)S(=O)(=O)Nc2n(ncc2)-c3ccccc3","Nc1ccc(cc1)S(=O)(=O)Nc2n(ncc2)-c3ccccc3","Nc1ccc(cc1)S(=O)(=O)Nc2n(ncc2)-c3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1990,31,"TRYPTAZAN","526-30-7","NC(Cc1c2c(n[nH]1)cccc2)C(=O)O","NC(Cc1c2c(n[nH]1)cccc2)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[1991,4085,"1,2,3-TRIMETHYLBENZENE","526-73-8","Cc1c(c(ccc1)C)C","Cc1c(c(ccc1)C)C","Cc1c(c(ccc1)C)C","Cc1c(c(ccc1)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1992,3645,"2,3-DIMETHYLPHENOL","526-75-0","Cc1c(c(ccc1)O)C","Cc1c(c(ccc1)O)C","Cc1c(c(ccc1)O)C","Cc1c(c(ccc1)O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[1993,2353,"Butanedioic acid, 2,3-dihydroxy-","526-83-0","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",null,3,0,1,"NO","NO","Mantain","Medium Reliability","597, 1513, 1609, 1610, 1713","Stereochemistry removed"]
[1994,2838,"D-GLUCONIC ACID","526-95-4","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO",4,0,0,"NO","NO","Mantain","High Reliability","1998, 1999","Stereochemistry removed, Differences in counterions"]
[1995,2745,"Galactaric acid","526-99-8","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[1996,null,"Allaric acid","527-00-4","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[1997,null,"(+)-Perseitol","527-06-0",null,"OCC(O)C(O)C(O)C(O)C(O)CO",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[1998,2838,"Sodium Gluconate","527-07-1","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO",4,0,0,"NO","NO","Mantain","High Reliability","1994, 1999","Stereochemistry removed"]
[1999,2838,"Cupric Gluconate","527-09-3","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO",4,0,0,"NO","NO","Mantain","High Reliability","1994, 1998","Stereochemistry removed, Organometallic, Organic counterion"]
[2000,4101,"2,4,6-TRIMETHYLPHENOL","527-60-6","Cc1cc(c(c(c1)C)O)C","Cc1cc(c(c(c1)C)O)C","Cc1cc(c(c(c1)C)O)C","Cc1cc(c(c(c1)C)O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2001,2610,"THIOPHENE-2-CARBOXYLIC ACID","527-72-0","O=C(O)c1sccc1","O=C(O)c1sccc1","O=C(O)c1sccc1","O=C(O)c1sccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2002,115,"1-METHYL-2-ISOPROPYLBENZENE","527-84-4","Cc1c(cccc1)C(C)C","Cc1c(cccc1)C(C)C","Cc1c(cccc1)C(C)C","Cc1c(cccc1)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2003,1242,"Ethanedione, bis(2-hydroxy-5-nitrophenyl)-","528-10-9","O=C(C(=O)c1c(ccc(c1)[N+](=O)[O-])O)c2c(ccc(c2)[N+](=O)[O-])O",null,"O=C(C(=O)c1c(ccc(c1)[N+](=O)[O-])O)c2c(ccc(c2)[N+](=O)[O-])O","O=C(C(=O)c1c(ccc(c1)[N+](=O)[O-])O)c2c(ccc(c2)[N+](=O)[O-])O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2004,3973,"Ethanone, 1-(2,3,4-trihydroxyphenyl)-","528-21-2","CC(=O)c1c(c(c(cc1)O)O)O","CC(=O)c1c(c(c(cc1)O)O)O","CC(=O)c1c(c(c(cc1)O)O)O","CC(=O)c1c(c(c(cc1)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2005,3019,"O-DINITROBENZENE","528-29-0","O=[N+]([O-])c1c(cccc1)[N+](=O)[O-]","O=[N+]([O-])c1c(cccc1)[N+](=O)[O-]","O=[N+]([O-])c1c(cccc1)[N+](=O)[O-]","O=[N+]([O-])c1c(cccc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2006,4238,"TRIMELLITIC ACID","528-44-9","O=C(O)c1cc(c(cc1)C(=O)O)C(=O)O","O=C(O)c1cc(c(cc1)C(=O)O)C(=O)O","O=C(O)c1cc(c(cc1)C(=O)O)C(=O)O","O=C(O)c1cc(c(cc1)C(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2007,3373,"3,4-DINITROBENZOIC ACID","528-45-0","O=C(O)c1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2008,4237,"PHTHALONIC ACID","528-46-1","O=C(O)C(=O)c1c(cccc1)C(=O)O","O=C(O)C(=O)c1c(cccc1)C(=O)O","O=C(O)C(=O)c1c(cccc1)C(=O)O","O=C(O)C(=O)c1c(cccc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2009,null,"Cellobiose","528-50-7","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O","O=CC(O)C(O)C(OC1C(C(C(C(O1)CO)O)O)O)C(O)CO","O=CC(O)C(O)C(OC1C(C(C(C(O1)CO)O)O)O)C(O)CO",2,2,0,"YES","NO","Eliminate","-",null,"Stereochemistry removed, Missing/ambiguous"]
[2010,4145,"N-(aminocarbonyl)-2-(1-methylethyl)4-pentenamide","528-92-7","C=CCC(C(=O)NC(N)=O)C(C)C","C=CCC(C(=O)NC(N)=O)C(C)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2011,4258,"4(1H)-QUINOLINONE","529-37-3","O=c1c2c([nH]cc1)cccc2","O=c1c2c([nH]cc1)cccc2","O=c1c2c([nH]cc1)cccc2",null,3,0,1,"NO","NO","Mantain","Medium Reliability","2413"]
[2012,4046,"TROPIC ACID","529-64-6","O=C(O)C(CO)c1ccccc1","O=C(O)C(CO)c1ccccc1",null,null,2,0,2,"NO","NO","Mantain","High Reliability","2132","Checked on ChemID, Checked on PubChem"]
[2013,1102,"Anthranol","529-86-2","Oc1c2c(cc3c1cccc3)cccc2","Oc1c2c(cc3c1cccc3)cccc2","Oc1c2c(cc3c1cccc3)cccc2","Oc1c2c(cc3c1cccc3)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2014,1193,"Picein","530-14-3","CC(=O)c1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O","CC(=O)c1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[2015,1119,"1,1-DIPHENYLETHYLENE","530-48-3","C=C(c1ccccc1)c2ccccc2","C=C(c1ccccc1)c2ccccc2","C=C(c1ccccc1)c2ccccc2","C=C(c1ccccc1)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2016,1101,"FLUFENAMIC ACID","530-78-9","O=C(O)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F","O=C(O)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F","O=C(O)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F","O=C(O)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2017,3202,"1,2-Cycloheptanedione, dioxime","530-97-2","ON=C1C(CCCCC1)=NO","O=NC=1CCCCCC1NO","ON=C1C(CCCCC1)=NO","ON=C1C(CCCCC1)=NO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2018,316,"2H-1-Benzopyran-2-one, 7-methoxy-","531-59-9","COc1cc2c(cc1)ccc(=O)o2","COc1cc2c(cc1)ccc(=O)o2","COc1cc2c(cc1)ccc(=O)o2","COc1cc2c(cc1)ccc(=O)o2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2019,280,"2H-1-Benzopyran-3-carboxylic acid, 2-oxo-","531-81-7","O=C(O)c1c(oc2c(c1)cccc2)=O","O=C(O)c1c(oc2c(c1)cccc2)=O","O=C(O)c1c(oc2c(c1)cccc2)=O","O=C(O)c1c(oc2c(c1)cccc2)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2020,null,"1,2-propanediol,3-(2-methoxyphenoxy)-,1-carbam","532-03-6",null,"COc1c(cccc1)OCC(O)COC(N)=O",null,"COc1c(cccc1)OCC(O)COC(N)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2021,3477,"BENZOIC ACID, SODIUM SALT","532-32-1","O=C(O)c1ccccc1","O=C(O)c1ccccc1","O=C(O)c1ccccc1","O=C(O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability","239, 2818"]
[2022,584,"C.I. BASIC ORANGE 2","532-82-1","Nc1cc(c(cc1)N=Nc2ccccc2)N","Nc1cc(c(cc1)N=Nc2ccccc2)N","Nc1cc(c(cc1)N=Nc2ccccc2)N","Nc1cc(c(cc1)N=Nc2ccccc2)N",4,0,0,"NO","NO","Mantain","High Reliability","","Organic counterion, Differences in counterions"]
[2023,null,"2-CHLOROACETANILIDE","533-17-5","O=C(CCl)Nc1ccccc1","CC(=O)Nc1c(cccc1)Cl","O=C(CCl)Nc1ccccc1","CC(=O)Nc1c(cccc1)Cl",2,2,0,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2024,6,"2,4-D, ETHYL ESTER","533-23-3","CCOC(=O)COc1c(cc(cc1)Cl)Cl","CCOC(=O)COc1c(cc(cc1)Cl)Cl",null,"CCOC(=O)COc1c(cc(cc1)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2025,453,"1,3-Benzenediol, 4-pentyl-","533-24-4","CCCCCc1c(cc(cc1)O)O","CCCCCc1c(cc(cc1)O)O","CCCCCc1c(cc(cc1)O)O","CCCCCc1c(cc(cc1)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2026,4187,"isovaleryldiethylamide","533-32-4","CCNCCC(=O)CC(C)C","CCN(CC)C(=O)CC(C)C","CCN(CC)C(=O)CC(C)C","CCN(CC)C(=O)CC(C)C",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[2027,2480,"DMTT (DAZOMET)","533-74-4",null,"CN1CN(C(SC1)=S)C","CN1CN(C(SC1)=S)C","CN1CN(C(SC1)=S)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2028,2123,"2-PROPANOL, 1,3-DIIODO-","534-08-7","OC(CI)CI","OC(CI)CI","OC(CI)CI","OC(CI)CI",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2029,null,"N,N-DIMETHYLTHIOUREA","534-13-4","CN(C)C(N)=S","CNC(=S)NC","CN(C)C(N)=S","CNC(=S)NC",2,2,0,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2030,2235,"1,1-DIMETHOXYETHANE","534-15-6","COC(C)OC","COC(C)OC","COC(C)OC","COC(C)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2031,2640,"2-METHYLFURAN","534-22-5","Cc1occc1","Cc1occc1","Cc1occc1","Cc1occc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2032,3459,"4,6-DINITRO-O-CRESOL","534-52-1","Cc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","Cc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","Cc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","Cc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2033,3214,"BUTYL MALONIC ACID","534-59-8","CCCCC(C(=O)O)C(=O)O","CCCCC(C(=O)O)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2034,649,"Glybuthiazole","535-65-9","CC(C)(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","CC(C)(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","CC(C)(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","CC(C)(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2035,113,"M-CYMENE","535-77-3","Cc1cc(ccc1)C(C)C","Cc1cc(ccc1)C(C)C","Cc1cc(ccc1)C(C)C","Cc1cc(ccc1)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2036,3395,"M-CHLOROBENZOIC ACID","535-80-8","O=C(O)c1cc(ccc1)Cl","O=C(O)c1cc(ccc1)Cl","O=C(O)c1cc(ccc1)Cl","O=C(O)c1cc(ccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2037,3554,"Benzoic acid, 3,5-diamino-","535-87-5","Nc1cc(cc(c1)N)C(=O)O","Nc1cc(cc(c1)N)C(=O)O","Nc1cc(cc(c1)N)C(=O)O","Nc1cc(cc(c1)N)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[2038,3169,"2-CHLORO-4-METHYL-6-(DIMETHYLAMINO)PYRIMIDINE","535-89-7","Cc1nc(nc(c1)N(C)C)Cl","Cc1nc(nc(c1)N(C)C)Cl",null,"Cc1nc(nc(c1)N(C)C)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2039,1110,"Digallic acid","536-08-3","O=C(O)c1cc(c(c(c1)O)O)OC(=O)c2cc(c(c(c2)O)O)O","O=C(O)c1cc(c(c(c1)O)O)OC(=O)c2cc(c(c(c2)O)O)O",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[2040,74,"CUMIC ACID","536-66-3","CC(C)c1ccc(cc1)C(=O)O","CC(C)c1ccc(cc1)C(=O)O","CC(C)c1ccc(cc1)C(=O)O","CC(C)c1ccc(cc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2041,3873,"ETHYNYL BENZENE","536-74-3","C#Cc1ccccc1","C#Cc1ccccc1","C#Cc1ccccc1","C#Cc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2042,3582,"4-ETHYLPYRIDINE","536-75-4","CCc1ccncc1","CCc1ccncc1","CCc1ccncc1","CCc1ccncc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2043,3583,"3-ETHYLPYRIDINE","536-78-7","CCc1cnccc1","CCc1cnccc1","CCc1cnccc1","CCc1cnccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2044,3048,"Benzene, iodosyl-","536-80-1","O=Ic1ccccc1","O=Ic1ccccc1","O=Ic1ccccc1","O=Ic1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2045,1348,"TROPACOCAINE","537-26-8","CN1C2CCC1CC(C2)OC(=O)c3ccccc3","CN1C2CCC1CC(C2)OC(=O)c3ccccc3",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2046,2929,"2,6-DIBROMOQUINONECHLOROIMIDE","537-45-1","O=C1C(=CC(C=C1Br)=NCl)Br","O=C1C(=CC(C=C1Br)=NCl)Br",null,"O=C1C(=CC(C=C1Br)=NCl)Br",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2047,3598,"HYDRAZINECARBOXAMIDE, N-PHENYL-","537-47-3","NNC(=O)Nc1ccccc1","NNC(=O)Nc1ccccc1","NNC(=O)Nc1ccccc1","NNC(=O)Nc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2048,101,"L-Tyrosine, N-methyl-","537-49-5","CNC(Cc1ccc(cc1)O)C(=O)O","CNC(Cc1ccc(cc1)O)C(=O)O","CNC(Cc1ccc(cc1)O)C(=O)O","CNC(Cc1ccc(cc1)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2049,4064,"3-METHYLACETANILIDE","537-92-8","CC(=O)Nc1cc(ccc1)C","CC(=O)Nc1cc(ccc1)C","CC(=O)Nc1cc(ccc1)C","CC(=O)Nc1cc(ccc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2050,2841,"BIS(2-CHLOROETHYL)ETHYLAMINE","538-07-8","CCN(CCCl)CCCl","CCN(CCCl)CCCl","CCN(CCCl)CCCl","CCN(CCCl)CCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2051,3624,"BENZYLUREA","538-32-9","NC(=O)NCc1ccccc1","NC(=O)NCc1ccccc1","NC(=O)NCc1ccccc1","NC(=O)NCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2052,1031,"BUTYL CINNAMATE","538-65-8","CCCCOC(=O)C=Cc1ccccc1","CCCCOC(=O)C=Cc1ccccc1","CCCCOC(=O)C=Cc1ccccc1","CCCCOC(=O)C=Cc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2053,441,"PENTYLBENZENE","538-68-1","CCCCCc1ccccc1","CCCCCc1ccccc1","CCCCCc1ccccc1","CCCCCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2054,3649,"BENZYL METHYL ETHER","538-86-3","COCc1ccccc1","COCc1ccccc1","COCc1ccccc1","COCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2055,116,"ISOBUTYLBENZENE","538-93-2","CC(C)Cc1ccccc1","CC(C)Cc1ccccc1","CC(C)Cc1ccccc1","CC(C)Cc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2056,3935,"P-CHLOROACETANILIDE","539-03-7","CC(=O)Nc1ccc(cc1)Cl","CC(=O)Nc1ccc(cc1)Cl","CC(=O)Nc1ccc(cc1)Cl","CC(=O)Nc1ccc(cc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2057,145,"Hordenine","539-15-1","CN(C)CCc1ccc(cc1)O","CN(C)CCc1ccc(cc1)O","CN(C)CCc1ccc(cc1)O","CN(C)CCc1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[2058,1170,"C.I. DISPERSE BLACK 3","539-17-3","CN(C)c1ccc(cc1)N=Nc2ccc(cc2)N","CN(C)c1ccc(cc1)N=Nc2ccc(cc2)N","CN(C)c1ccc(cc1)N=Nc2ccc(cc2)N","CN(C)c1ccc(cc1)N=Nc2ccc(cc2)N",4,0,0,"NO","NO","Mantain","High Reliability","","Organic counterion"]
[2059,3483,"2-PROPENOIC ACID, 3-(2-FURANYL)-","539-47-9","O=C(O)C=Cc1occc1","O=C(O)C=Cc1occc1","O=C(O)C=Cc1occc1","O=C(O)C=Cc1occc1",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2060,3266,"ETHYL VALERATE","539-82-2","CCCCC(=O)OCC","CCCCC(=O)OCC","CCCCC(=O)OCC","CCCCC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2061,2746,"Allicin","539-86-6","C=CCSS(=O)CC=C","C=CCSS(=O)CC=C","C=CCSS(=O)CC=C","C=CCSS(=O)CC=C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2062,3292,"Isobutyl urethane","539-89-9","CCOC(=O)NCC(C)C","CCOC(=O)NCC(C)C","CCOC(=O)NCC(C)C","CCOC(=O)NCC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2063,4181,"PENTYL BUTYRATE","540-18-1","CCCCCOC(=O)CCC","CCCCCOC(=O)CCC","CCCCCOC(=O)CCC","CCCCCOC(=O)CCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2064,3006,"P-DIFLUOROBENZENE","540-36-3","Fc1ccc(cc1)F","Fc1ccc(cc1)F","Fc1ccc(cc1)F","Fc1ccc(cc1)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2065,3269,"2-METHYLPROPYL PROPANOATE","540-42-1","CCC(=O)OCC(C)C","CCC(=O)OCC(C)C","CCC(=O)OCC(C)C","CCC(=O)OCC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2066,2413,"Cyclopropane, methoxy-","540-47-6","COC1CC1","COC1CC1","COC1CC1","COC1CC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2067,null,"1,2-Ethylene Dibromide","540-49-8","BrCCBr","BrC=CBr","BrCCBr","BrC=CBr",2,2,0,"YES","NO","Eliminate","-",null,"Stereochemistry removed, Missing/ambiguous"]
[2068,1971,"2-BROMOETHANOL","540-51-2","OCCBr","OCCBr","OCCBr","OCCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2069,2155,"1-CHLOROPROPANE","540-54-5","CCCCl","CCCCl","CCCCl","CCCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2070,1907,"1,2-DICHLOROETHYLENE","540-59-0","ClC=CCl","ClC=CCl","ClC=CCl","ClC=CCl",4,0,0,"NO","NO","Mantain","High Reliability","1638, 1639","Stereochemistry removed"]
[2071,2189,"ETHYL METHYL ETHER","540-67-0","CCOC","CCOC","CCOC","CCOC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2072,2013,"1,2-DIMETHYLHYDRAZINE","540-73-8","CNNC","CNNC","CNNC","CNNC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2073,3797,"2,2,4-TRIMETHYLPENTANE","540-84-1","CC(C)CC(C)(C)C","CC(C)CC(C)(C)C","CC(C)CC(C)(C)C","CC(C)CC(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2074,2821,"T-BUTYL ACETATE","540-88-5","CC(=O)OC(C)(C)C","CC(=O)OC(C)(C)C","CC(=O)OC(C)(C)C","CC(=O)OC(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2075,null,"DODECAMETHYLCYCLOHEXASILOXANE","540-97-6","C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C","C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C","C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C","C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[2076,null,"DECAMETHYLCYCLOPENTASILOXANE","541-02-6","C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C","C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C","C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C","C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[2077,null,"Uranyl Acetate","541-09-3",null,null,"CC(=O)O[U](=O)(=O)OC(C)=O","CC(=O)O[U](=O)(=O)OC(C)=O",2,0,2,"NO","NO","Eliminate","-",null,"Unusual elements"]
[2078,null,"DICHLORO(2-CHLOROVINYL)ARSINE (TRANS)","541-25-3",null,"ClC=C[As](Cl)Cl","ClC=C[As](Cl)Cl","ClC=C[As](Cl)Cl",3,0,1,"NO","NO","Eliminate","-",null,"Stereochemistry removed, Unusual elements"]
[2079,2382,"1,1-DICHLOROBUTANE","541-33-3","CCCC(Cl)Cl","CCCC(Cl)Cl","CCCC(Cl)Cl","CCCC(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2080,2443,"BUTYRAMIDE","541-35-5","CCCC(N)=O","CCCC(N)=O","CCCC(N)=O","CCCC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2081,null,"Barium Formate","541-43-5","[Ba+2]","[Ba+2]","[Ba+2]","[Ba+2]",4,0,0,"NO","NO","Eliminate","-",null,"Organic counterion, Unusual elements, Inorganic"]
[2082,2450,"Butanoic acid, 3-amino-","541-48-0","CC(N)CC(=O)O","CC(N)CC(=O)O","CC(N)CC(=O)O","CC(N)CC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2083,2342,"ACETOACETIC ACID","541-50-4","CC(=O)CC(=O)O","CC(=O)CC(=O)O","CC(=O)CC(=O)O","CC(=O)CC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2084,1980,"thioimidodicarbonicdiamide","541-53-7","NC(=O)NC(N)=S","NC(=S)NC(N)=S","NC(=S)NC(N)=S","NC(=S)NC(N)=S",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[2085,2985,"3-DICHLOROBENZENE","541-73-1",null,"Clc1cc(ccc1)Cl","Clc1cc(ccc1)Cl","Clc1cc(ccc1)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2086,null,"2-Butenoic acid, 4-[(1-carboxyethyl)amino]-4-oxo","541-89-9",null,null,"CC(N=C(O)C=CC(=O)O)C(=O)O","CC(N=C(O)C=CC(=O)O)C(=O)O",2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[2087,null,"2-Pentanol, carbamate","541-95-7","CCCC(C)O","CCCC(C)OC(N)=O",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2088,3091,"2H-Pyran-2,4(3H)-dione, 6-methyl-","541-98-0","CC=1OC(CC(C1)=O)=O","CC=1OC(CC(C1)=O)=O","CC=1OC(CC(C1)=O)=O","CC=1OC(CC(C1)=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2089,2749,"CHLOROCYCLOHEXANE","542-18-7","ClC1CCCCC1","ClC1CCCCC1","ClC1CCCCC1","ClC1CCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2090,2765,"Hexanedioic acid, 2-amino-","542-32-5","NC(CCCC(=O)O)C(=O)O","NC(CCCC(=O)O)C(=O)O","NC(CCCC(=O)O)C(=O)O","NC(CCCC(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2091,2501,"ISOBUTYL FORMATE","542-55-2","CC(C)COC=O","CC(C)COC=O","CC(C)COC=O","CC(C)COC=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2092,2437,"N-BUTYL IODIDE","542-69-8","CCCCI","CCCCI","CCCCI","CCCCI",4,0,0,"NO","NO","Mantain","High Reliability","4386"]
[2093,null,"1,3-DICHLOROPROPENE (isomer mix)","542-75-6",null,"ClC=CCCl","ClC=CCCl","ClC=CCCl",3,0,1,"NO","NO","Eliminate","-",null,"Stereochemistry removed, Mixture"]
[2094,1952,"BIS(CHLOROMETHYL) ETHER","542-88-1","ClCOCCl","ClCOCCl","ClCOCCl","ClCOCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2095,2625,"CYCLOPENTADIENE","542-92-7","C=1C=CCC1","C=1C=CCC1","C=1C=CCC1","C=1C=CCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2096,null,"ethanesulfonicacid,2-[(aminoiminomethyl)amino]","543-18-0",null,"NC(N)=NCCS(=O)(=O)O",null,"NC(N)=NCCS(=O)(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2097,2372,"Glycine, N-acetyl-","543-24-8","CC(=O)NCC(=O)O","CC(=O)NCC(=O)O","CC(=O)NCC(=O)O","CC(=O)NCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2098,2530,"Carbamic acid, 2-methylpropyl ester","543-28-2","CC(C)COC(N)=O","CC(C)COC(N)=O","CC(C)COC(N)=O","CC(C)COC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2099,2460,"ISOBUTYL NITRATE","543-29-3","CC(C)CO[N+](=O)[O-]","CC(C)CO[N+](=O)[O-]","CC(C)CO[N+](=O)[O-]","CC(C)CO[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2100,3308,"2-HEPTANOL","543-49-7","CCCCCC(C)O","CCCCCC(C)O","CCCCCC(C)O","CCCCCC(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2101,2513,"1-CHLOROPENTANE","543-59-9","CCCCCCl","CCCCCCl","CCCCCCl","CCCCCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2102,null,"Barium Acetate","543-80-6","[Ba+2]","[Ba+2]","[Ba+2]","[Ba+2]",4,0,0,"NO","NO","Eliminate","-",null,"Organic counterion, Unusual elements, Inorganic"]
[2103,null,"N-Methyl butylcarbamate","543-86-2",null,"CC(C)CCOC(N)=O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[2104,2537,"1-butanol,3-methyl-,nitrate","543-87-3","CC(C)CCO","CC(C)CCO[N+](=O)[O-]","CC(C)CCO[N+](=O)[O-]","CC(C)CCO[N+](=O)[O-]",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[2105,null,"Strontium Acetate","543-94-2","[Sr+2]","[Sr+2]",null,"[Sr+2]",3,0,1,"NO","NO","Eliminate","-",null,"Unusual elements, Inorganic"]
[2106,237,"DIISOPENTYL ETHER","544-01-4","CC(C)CCOCCC(C)C","CC(C)CCOCCC(C)C","CC(C)CCOCCC(C)C","CC(C)CCOCCC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2107,2840,"1-CHLOROHEXANE","544-10-5","CCCCCCCl","CCCCCCCl","CCCCCCCl","CCCCCCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2108,2628,"PENTANEDINITRILE","544-13-8","N#CCCCC#N","N#CCCCC#N","N#CCCCC#N","N#CCCCC#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2109,3550,"CYCLOHEPTATRIENE","544-25-2","C=1C=CCC=CC1","C=1C=CCC=CC1","C=1C=CCC=CC1","C=1C=CCC=CC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2110,1230,"TETRADECANOIC ACID","544-63-8","CCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCC(=O)O",null,"CCCCCCCCCCCCCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2111,1457,"N-HEXADECANE","544-76-3","CCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2112,3600,"Sulfanilylurea","547-44-4","NC(=O)NS(=O)(=O)c1ccc(cc1)N","NC(=O)NS(=O)(=O)c1ccc(cc1)N",null,"NC(=O)NS(=O)(=O)c1ccc(cc1)N",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2113,null,"N1-(4-SO2NH2-PH)SULFANILAMIDE","547-52-4",null,"Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)S(N)(=O)=O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[2114,2426,"2-HYDROXYPROPANOIC ACID, METHYL ESTER","547-64-8","COC(=O)C(C)O","COC(=O)C(C)O","COC(=O)C(C)O","COC(=O)C(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2115,2642,"alpha-METHYLENE BUTYROLACTONE","547-65-9","C=C1C(OCC1)=O","C=C1C(OCC1)=O","C=C1C(OCC1)=O","C=C1C(OCC1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2116,1856,"HYOCHOLIC ACID","547-75-1","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(C(C3O)O)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(C(C3O)O)CC(O)CC4)C)CC2)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[2117,1769,"Ethyl biscoumacetate","548-00-5","CCOC(=O)C(c1c(c2c(oc1O)cccc2)=O)c3c(c4c(oc3O)cccc4)=O","CCOC(=O)C(c1c(c2c(oc1O)cccc2)=O)c3c(c4c(oc3O)cccc4)=O","CCOC(=O)C(c1c(oc2c(c1O)cccc2)=O)c3c(oc4c(c3O)cccc4)=O","CCOC(=O)C(c1c(oc2c(c1O)cccc2)=O)c3c(oc4c(c3O)cccc4)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2118,null,"Cyclopenta[c]pyran-4-carboxylic acid, 1-( -D-glu","548-37-8",null,"COC(=O)C=1C2C(C(OC1)OC3C(C(C(C(O3)CO)O)O)O)C(C)CC2=O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[2119,422,"o-Thymotic acid","548-51-6","Cc1c(c(c(cc1)C(C)C)O)C(=O)O","Cc1c(c(c(cc1)C(C)C)O)C(=O)O","Cc1c(c(c(cc1)C(C)C)O)C(=O)O","Cc1c(c(c(cc1)C(C)C)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2120,1704,"QUININE BISULFATE","549-56-4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",4,0,0,"NO","NO","Mantain","High Reliability","101, 1495, 3703","Stereochemistry removed, Organic counterion, Differences in counterions"]
[2121,null,"Furfurin","550-23-2","NC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]","c1cc(oc1)C=2NC(C(N2)c3occc3)c4occc4",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Stereochemistry removed, Missing/ambiguous"]
[2122,4114,"Amisometradine","550-28-7","C=C(C)Cn1c(n(c(cc1N)=O)C)=O","C=C(C)Cn1c(n(c(cc1N)=O)C)=O",null,"C=C(C)Cn1c(n(c(cc1N)=O)C)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2123,66,"NEBULARINE","550-33-4","OCC1C(C(C(O1)n2c3c(nc2)cncn3)O)O","OCC1C(C(C(O1)n2c3c(nc2)cncn3)O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[2124,299,"1-Nitro-2-naphthol","550-60-7","O=[N+]([O-])c1c2c(ccc1O)cccc2","O=[N+]([O-])c1c2c(ccc1O)cccc2","O=[N+]([O-])c1c2c(ccc1O)cccc2","O=[N+]([O-])c1c2c(ccc1O)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2125,308,"Picrolonic acid","550-74-3","CC=1C(C(N(N1)c2ccc(cc2)[N+](=O)[O-])=O)[N+](=O)[O-]","CC=1C(C(N(N1)c2ccc(cc2)[N+](=O)[O-])=O)[N+](=O)[O-]",null,"CC=1C(C(N(N1)c2ccc(cc2)[N+](=O)[O-])=O)[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2126,512,"1-ISOTHIOCYANONAPHTHALENE","551-06-4","S=C=Nc1c2c(ccc1)cccc2","S=C=Nc1c2c(ccc1)cccc2",null,"S=C=Nc1c2c(ccc1)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2127,608,"1,2-Ethanediamine, N-1-naphthalenyl-","551-09-7","NCCNc1c2c(ccc1)cccc2","NCCNc1c2c(ccc1)cccc2","NCCNc1c2c(ccc1)cccc2","NCCNc1c2c(ccc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[2128,3392,"2,4,6-TRICHLORO-3-METHYLPHENOL","551-76-8","Cc1c(c(c(cc1Cl)Cl)O)Cl","Cc1c(c(c(cc1Cl)Cl)O)Cl","Cc1c(c(c(cc1Cl)Cl)O)Cl","Cc1c(c(c(cc1Cl)Cl)O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2129,3427,"2-NITROBENZOIC ACID","552-16-9","O=C(O)c1c(cccc1)[N+](=O)[O-]","O=C(O)c1c(cccc1)[N+](=O)[O-]","O=C(O)c1c(cccc1)[N+](=O)[O-]","O=C(O)c1c(cccc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2130,3941,"2-nitroacetanilide","552-32-9","O=C(C[N+](=O)[O-])Nc1ccccc1","CC(=O)Nc1c(cccc1)[N+](=O)[O-]",null,"CC(=O)Nc1c(cccc1)[N+](=O)[O-]",2,1,1,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[2131,1292,"ERIODICTYOL","552-58-9","O=C1c2c(OC(C1)c3cc(c(cc3)O)O)cc(O)cc2O","O=C1c2c(OC(C1)c3cc(c(cc3)O)O)cc(O)cc2O","O=C1c2c(OC(C1)c3cc(c(cc3)O)O)cc(O)cc2O","O=C1c2c(OC(C1)c3cc(c(cc3)O)O)cc(O)cc2O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2132,4046,"BENZENEACETIC ACID, .alpha.-(HYDROXYMETHYL)-,","552-63-6",null,"O=C(O)C(CO)c1ccccc1","O=C(O)C(CO)c1ccccc1","O=C(O)C(CO)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability","2012"]
[2133,4137,"9-Methyl-9-azabicyclo[3.3.1]nonan-3-one","552-70-5","CN1C2CCCC1CC(C2)=O","CN1C2CCCC1CC(C2)=O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2134,3417,"O-NITROBENZALDEHYDE","552-89-6","O=Cc1c(cccc1)[N+](=O)[O-]","O=Cc1c(cccc1)[N+](=O)[O-]","O=Cc1c(cccc1)[N+](=O)[O-]","O=Cc1c(cccc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2135,305,"4,4'-DIPYRIDYL","553-26-4","c1nccc(c1)-c2ccncc2","c1nccc(c1)-c2ccncc2","c1nccc(c1)-c2ccncc2","c1nccc(c1)-c2ccncc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2136,3106,"3-Pyridinecarboxylic acid, hydrazide","553-53-7","NNC(=O)c1cnccc1","NNC(=O)c1cnccc1","NNC(=O)c1cnccc1","NNC(=O)c1cnccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2137,4093,"5-Nitro-2-propoxyaniline","553-79-7","CCCOc1c(cc(cc1)[N+](=O)[O-])N","CCCOc1c(cc(cc1)[N+](=O)[O-])N","CCCOc1c(cc(cc1)[N+](=O)[O-])N","CCCOc1c(cc(cc1)[N+](=O)[O-])N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2138,2346,"methyloxalate","553-90-2","COC(=O)C(=O)O","COC(=O)C(=O)OC","COC(=O)C(=O)OC","COC(=O)C(=O)OC",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[2139,3037,"2,4-DICHLOROANILINE","554-00-7","Nc1c(cc(cc1)Cl)Cl","Nc1c(cc(cc1)Cl)Cl","Nc1c(cc(cc1)Cl)Cl","Nc1c(cc(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2140,2648,"5-Methylcytosine","554-01-8","Cc1c(nc([nH]c1)=O)N","Cc1c([nH]c(nc1)=O)N","Cc1c([nH]c(nc1)=O)N","Cc1c([nH]c(nc1)=O)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2141,2419,"METHYL PROPIONATE","554-12-1","CCC(=O)OC","CCC(=O)OC","CCC(=O)OC","CCC(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2142,2667,"METHAZOLAMIDE","554-57-4","CC(=O)N=c1n(nc(s1)S(N)(=O)=O)C","CC(=O)N=c1n(nc(s1)S(N)(=O)=O)C","CC(=O)N=c1n(nc(s1)S(N)(=O)=O)C","CC(=O)N=c1n(nc(s1)S(N)(=O)=O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2143,3060,"3-NITROPHENOL","554-84-7","O=[N+]([O-])c1cc(ccc1)O","O=[N+]([O-])c1cc(ccc1)O","O=[N+]([O-])c1cc(ccc1)O","O=[N+]([O-])c1cc(ccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2144,4239,"1,3,5-BENZENETRICARBOXYLIC ACID","554-95-0","O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O","O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O","O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O","O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2145,3534,"M-NITROANISOLE","555-03-3","COc1cc(ccc1)[N+](=O)[O-]","COc1cc(ccc1)[N+](=O)[O-]","COc1cc(ccc1)[N+](=O)[O-]","COc1cc(ccc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2146,3415,"4-NITROBENZALDEHYDE","555-16-8","O=Cc1ccc(cc1)[N+](=O)[O-]","O=Cc1ccc(cc1)[N+](=O)[O-]","O=Cc1ccc(cc1)[N+](=O)[O-]","O=Cc1ccc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2147,104,"methyldopa","555-30-6","COC(=O)C(N)Cc1cc(c(cc1)O)O","CC(N)(Cc1cc(c(cc1)O)O)C(=O)O","CC(N)(Cc1cc(c(cc1)O)O)C(=O)O","CC(N)(Cc1cc(c(cc1)O)O)C(=O)O",3,1,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Name verified in PubChem"]
[2148,635,"NEBURON","555-37-3","CCCCN(C)C(=O)Nc1cc(c(cc1)Cl)Cl","CCCCN(C)C(=O)Nc1cc(c(cc1)Cl)Cl","CCCCN(C)C(=O)Nc1cc(c(cc1)Cl)Cl","CCCCN(C)C(=O)Nc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2149,336,"Maleanilic acid","555-59-9","O=C(O)C=CC(=O)Nc1ccccc1","O=C(O)C=CC(=O)Nc1ccccc1","O=C(O)C=CC(O)=Nc1ccccc1","O=C(O)C=CC(O)=Nc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2150,2774,"TRIS(BETA-CHLOROETHYL)AMINE","555-77-1","ClCCN(CCCl)CCCl","ClCCN(CCCl)CCCl","ClCCN(CCCl)CCCl","ClCCN(CCCl)CCCl",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[2151,3945,"Nifuradene","555-84-0","O=C1N(CCN1)N=Cc2oc(cc2)[N+](=O)[O-]","O=C1N(CCN1)N=Cc2oc(cc2)[N+](=O)[O-]","O=C1N(CCN1)N=Cc2oc(cc2)[N+](=O)[O-]","O=C1N(CCN1)N=Cc2oc(cc2)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2152,3171,"Benzylhydrazine","555-96-4","NNCc1ccccc1","NNCc1ccccc1","NNCc1ccccc1","NNCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[2153,4072,"D-Tyrosine","556-02-5","NC(Cc1ccc(cc1)O)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","183, 2154","Stereochemistry removed"]
[2154,4072,"DL-TYROSINE","556-03-6","NC(Cc1ccc(cc1)O)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","183, 2153","Checked on ChemID, Checked on PubChem"]
[2155,2755,"TRIGLYCINE","556-33-2","NCC(=O)NCC(=O)NCC(=O)O","NCC(=O)NCC(=O)NCC(=O)O",null,"NCC(=O)NCC(=O)NCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2156,2491,"Zinc Valerate","556-38-7","CCCCC(=O)O","CCCCC(=O)O",null,"CCCCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","1129"]
[2157,null,"gycylglycine","556-50-3",null,"NCC(=O)NCC(=O)O",null,"NCC(=O)NCC(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2158,2146,"OXIRANEMETHANOL","556-52-5","OCC1OC1","OCC1OC1","OCC1OC1","OCC1OC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2159,1944,"METHYL ISOTHIOCYANATE","556-61-6","CN=C=S","CN=C=S","CN=C=S","CN=C=S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2160,null,"OCTAMETHYLTETRASILOXANE","556-67-2","C[SiH2]O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)C",null,"C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)C",2,1,1,"NO","NO","Eliminate","-",null,"Unusual elements"]
[2161,4360,"NITROGUANIDINE","556-88-7","N=C(N)N[N+](=O)[O-]","NC(N)=N[N+](=O)[O-]","N=C(N)N[N+](=O)[O-]","N=C(N)N[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2162,2288,"2-PYRIMIDONE","557-01-7","O=c1[nH]cccn1","O=c1[nH]cccn1",null,"O=c1[nH]cccn1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2163,2226,"METHYL PROPYL ETHER","557-17-5","CCCOC","CCCOC","CCCOC","CCCOC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2164,3282,"1-MONOBUTYRIN","557-25-5","CCCC(=O)OCC(O)CO","CCCC(=O)OCC(O)CO","CCCC(=O)OCC(O)CO","CCCC(=O)OCC(O)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2165,2141,"Zinc Propionate","557-28-8","CCC(=O)O","CCC(=O)O","CCC(=O)O","CCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","465, 1533","Organic counterion"]
[2166,null,"Zinc Acetate","557-34-6","[Zn+2]","[Zn+2]","[Zn+2]","[Zn+2]",4,0,0,"NO","NO","Eliminate","-",null,"Organic counterion, Unusual elements, Inorganic"]
[2167,2717,"ALLYL ETHER","557-40-4","C=CCOCC=C","C=CCOCC=C","C=CCOCC=C","C=CCOCC=C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2168,null,"Zinc Formate","557-41-5","[Zn+2]","[Zn+2]","[Zn+2]","[Zn+2]",4,0,0,"NO","NO","Eliminate","-",null,"Organic counterion, Unusual elements, Inorganic"]
[2169,4324,"CARBON TETRABROMIDE","558-13-4","BrC(Br)(Br)Br","BrC(Br)(Br)Br","BrC(Br)(Br)Br","BrC(Br)(Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2170,4350,"FLUOROMETHYL SULFONE","558-25-8","CS(=O)(=O)F","CS(=O)(=O)F","CS(=O)(=O)F","CS(=O)(=O)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2171,2411,"2,2-DIMETHYLOXIRANE","558-30-5","CC1(OC1)C","CC1(OC1)C","CC1(OC1)C","CC1(OC1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2172,2436,"2-Propanol, 1-chloro-2-methyl-","558-42-9","CC(C)(O)CCl","CC(C)(O)CCl","CC(C)(O)CCl","CC(C)(O)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2173,4326,"METHANE, BROMOTRINITRO-","560-95-2","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2174,1745,"HEROIN","561-27-3","CC(=O)Oc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)OC(C)=O","CC(=O)Oc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)OC(C)=O","CC(=O)Oc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)OC(C)=O","CC(=O)Oc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)OC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2175,3301,"3,3-DIMETHYLPENTANE","562-49-2","CCC(C)(C)CC","CCC(C)(C)CC","CCC(C)(C)CC","CCC(C)(C)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2176,4221,"ETHION","563-12-2","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2177,2471,"3-METHYL-1-BUTENE","563-45-1","C=CC(C)C","C=CC(C)C","C=CC(C)C","C=CC(C)C",4,0,0,"NO","NO","Mantain","High Reliability","1956, 2178"]
[2178,2471,"2-METHYL-1-BUTENE","563-46-2","C=C(C)CC","C=C(C)CC","C=C(C)CC","C=C(C)CC",4,0,0,"NO","NO","Mantain","High Reliability","1956, 2177"]
[2179,2359,"3-CHLORO-2-METHYLPROPENE","563-47-3","C=C(C)CCl","C=C(C)CCl",null,"C=C(C)CCl",3,0,1,"NO","NO","Mantain","Medium Reliability","1958"]
[2180,2061,"1,2-DICHLOROPROPENE","563-54-2","CC(Cl)=CCl","CC(Cl)=CCl","CC(Cl)=CCl",null,3,0,1,"NO","NO","Mantain","Medium Reliability","454","Stereochemistry removed"]
[2181,2486,"3-METHYL-2-BUTANONE","563-80-4","CC(=O)C(C)C","CC(=O)C(C)C","CC(=O)C(C)C","CC(=O)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2182,2435,"2-BUTANOL, 3-CHLORO-","563-84-8","CC(O)C(C)Cl","CC(O)C(C)Cl","CC(O)C(C)Cl","CC(O)C(C)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2183,2336,"1,2:3,4-DIEPOXYBUTANE","564-00-1","C1C(O1)C2OC2","C1C(O1)C2OC2","C1C(O1)C2OC2",null,3,0,1,"NO","NO","Mantain","Medium Reliability","1692, 2911","Stereochemistry removed"]
[2184,3796,"2,2,3-TRIMETHYLPENTANE","564-02-3","CCC(C)C(C)(C)C","CCC(C)C(C)(C)C","CCC(C)C(C)(C)C","CCC(C)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2185,1790,"VIBRAMYCIN","564-25-0","CC1C2C(=C(c3c1cccc3O)O)C(=O)C4(C(C(C(C(C4=O)=C(N)O)=O)N(C)C)C2O)O","CC1C2C(=C(c3c1cccc3O)O)C(=O)C4(C(C(C(C(C4=O)=C(N)O)=O)N(C)C)C2O)O","CC1C2C(C(c3c1cccc3O)=O)=C(O)C4(C(C(C(=C(C4=O)C(N)=O)O)N(C)C)C2O)O","CC1C2C(C(c3c1cccc3O)=O)=C(O)C4(C(C(C(=C(C4=O)C(N)=O)O)N(C)C)C2O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Differences in counterions"]
[2186,null,"Benzeneacetic acid, .alpha.-amino-.alpha.-methyl","565-07-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2187,1147,"Acetamide, N-[4-[(4-aminophenyl)sulfonyl]phenyl]","565-20-8","CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N","CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2188,228,"trans-Terpin","565-50-4","CC1(CCC(CC1)C(C)(C)O)O",{"$nulls":3},1,0,3,"NO","NO","Mantain","Medium Reliability","494","Checked on ChemID, Checked on PubChem"]
[2189,3302,"2,3-DIMETHYLPENTANE","565-59-3","CCC(C)C(C)C","CCC(C)C(C)C","CCC(C)C(C)C","CCC(C)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2190,2879,"3-METHYL-2-PENTANOL","565-60-6","CCC(C)C(C)O","CCC(C)C(C)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2191,2801,"3-METHYLPENTAN-2-ONE","565-61-7","CCC(C)C(C)=O","CCC(C)C(C)=O","CCC(C)C(C)=O","CCC(C)C(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2192,2884,"2-METHYL-3-PENTANOL","565-67-3","CCC(O)C(C)C","CCC(O)C(C)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2193,2802,"2-METHYL-3-PENTANONE","565-69-5","CCC(=O)C(C)C","CCC(=O)C(C)C","CCC(=O)C(C)C","CCC(=O)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability","3540"]
[2194,2177,"Propanoic acid, 3-amino-2-hydroxy-","565-71-9","NCC(O)C(=O)O","NCC(O)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2195,2684,"2-BROMO-3-METHYL-BUTANOIC ACID","565-74-2","CC(C)C(Br)C(=O)O","CC(C)C(Br)C(=O)O","CC(C)C(Br)C(=O)O","CC(C)C(Br)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2196,3795,"2,3,4-TRIMETHYLPENTANE","565-75-3","CC(C)C(C)C(C)C","CC(C)C(C)C(C)C","CC(C)C(C)C(C)C","CC(C)C(C)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2197,3259,"2,4-DIMETHYL-3-PENTANONE","565-80-0","CC(C)C(=O)C(C)C","CC(C)C(=O)C(C)C","CC(C)C(=O)C(C)C","CC(C)C(=O)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2198,2456,"Butanoic acid, 3-amino-2-hydroxy-","565-81-1","CC(N)C(O)C(=O)O",null,"CC(N)C(O)C(=O)O","CC(N)C(O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2199,1734,"alpha-Peltatin","568-53-6","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)O","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)O","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)O","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2200,17,"Meconin","569-31-3","COc1c(c2c(cc1)COC2=O)OC","COc1c(c2c(cc1)COC2=O)OC","COc1c(c2c(cc1)COC2=O)OC","COc1c(c2c(cc1)COC2=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2201,4240,"HEMIMELLITIC ACID","569-51-7","O=C(O)c1c(c(ccc1)C(=O)O)C(=O)O","O=C(O)c1c(c(ccc1)C(=O)O)C(=O)O","O=C(O)c1c(c(ccc1)C(=O)O)C(=O)O",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2202,2595,"1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID","570-22-9","O=C(O)c1c([nH]cn1)C(=O)O","O=C(O)c1c([nH]cn1)C(=O)O","O=C(O)c1c([nH]cn1)C(=O)O","O=C(O)c1c([nH]cn1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2203,574,"1,4-DIMETHYLNAPHTHALENE","571-58-4","Cc1c2c(c(cc1)C)cccc2","Cc1c2c(c(cc1)C)cccc2","Cc1c2c(c(cc1)C)cccc2","Cc1c2c(c(cc1)C)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2204,571,"1,5-DIMETHYLNAPHTHALENE","571-61-9","Cc1c2c(ccc1)c(C)ccc2","Cc1c2c(ccc1)c(C)ccc2","Cc1c2c(ccc1)c(C)ccc2","Cc1c2c(ccc1)c(C)ccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2205,2856,"INOSITOL MONOPHOSPHATE","573-35-3","O=P(O)(O)OC1C(C(C(C(C1O)O)O)O)O","O=P(O)(O)OC1C(C(C(C(C1O)O)O)O)O","O=P(O)(O)OC1C(C(C(C(C1O)O)O)O)O","O=P(O)(O)OC1C(C(C(C(C1O)O)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2206,3024,"2,6-DINITROPHENOL","573-56-8","O=[N+]([O-])c1c(c(ccc1)[N+](=O)[O-])O","O=[N+]([O-])c1c(c(ccc1)[N+](=O)[O-])O","O=[N+]([O-])c1c(c(ccc1)[N+](=O)[O-])O","O=[N+]([O-])c1c(c(ccc1)[N+](=O)[O-])O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2207,1388,"C.I. ACID ORANGE 7 (FREE ACID) (7CI)","573-89-7","O=C1C(c2c(C=C1)cccc2)=NNc3ccc(cc3)S(=O)(=O)O","O=C1C(c2c(C=C1)cccc2)=NNc3ccc(cc3)S(=O)(=O)O",null,"O=S(=O)(O)c1ccc(cc1)N=Nc2c3c(ccc2O)cccc3",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[2208,572,"1,3-DIMETHYLNAPTHALENE","575-41-7",null,"Cc1cc2c(c(c1)C)cccc2","Cc1cc2c(c(c1)C)cccc2","Cc1cc2c(c(c1)C)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2209,4047,"Benzoic acid, 2-hydroxy-, methoxymethyl ester","575-82-6","COCOC(=O)c1c(cccc1)O","COCOC(=O)c1c(cccc1)O","COCOC(=O)c1c(cccc1)O","COCOC(=O)c1c(cccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2210,3860,"2,4,6-TRICHLOROPHENOXYACETIC ACID","575-89-3","O=C(O)COc1c(cc(cc1Cl)Cl)Cl","O=C(O)COc1c(cc(cc1Cl)Cl)Cl","O=C(O)COc1c(cc(cc1Cl)Cl)Cl","O=C(O)COc1c(cc(cc1Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2211,2993,"2,3-DICHLOROPHENOL","576-24-9","Oc1c(c(ccc1)Cl)Cl","Oc1c(c(ccc1)Cl)Cl","Oc1c(c(ccc1)Cl)Cl","Oc1c(c(ccc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2212,3644,"2,6-DIMETHYLPHENOL","576-26-1","Cc1c(c(ccc1)C)O","Cc1c(c(ccc1)C)O","Cc1c(c(ccc1)C)O","Cc1c(c(ccc1)C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2213,3190,"3,4-Piperidinedicarboxylic acid","577-58-2","O=C(O)C1C(CNCC1)C(=O)O",null,"O=C(O)C1C(CNCC1)C(=O)O","O=C(O)C1C(CNCC1)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2214,null,"1h-purine-2,6-dione,8-ethoxy-3,7-dihydro-1,3,7-","577-66-2",null,"CCOc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",null,"CCOc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2215,3020,"3,4-DINITROPHENOL","577-71-9","O=[N+]([O-])c1c(cc(cc1)O)[N+](=O)[O-]","O=[N+]([O-])c1c(cc(cc1)O)[N+](=O)[O-]","O=[N+]([O-])c1c(cc(cc1)O)[N+](=O)[O-]","O=[N+]([O-])c1c(cc(cc1)O)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2216,970,"1-aminoacridine","578-06-3","Nc1c2c(ccc1)nc3c(cccc3)c2","Nc1c2c(ccc1)nc3c(cccc3)c2","Nc1c2c(ccc1)cc3c(cccc3)n2","Nc1c2c(ccc1)nc3c(cccc3)c2",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[2217,4257,"5-QUINOLINOL","578-67-6","Oc1c2c(ccc1)nccc2","Oc1c2c(ccc1)nccc2",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2218,4279,"1,2-Propanedione, 1-phenyl-","579-07-7","CC(=O)C(=O)c1ccccc1","CC(=O)C(=O)c1ccccc1","CC(=O)C(=O)c1ccccc1","CC(=O)C(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2219,4065,"N-METHYLACETANILIDE","579-10-2","CC(=O)N(C)c1ccccc1","CC(=O)N(C)c1ccccc1","CC(=O)N(C)c1ccccc1","CC(=O)N(C)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2220,1151,"MESO-HYDROBENZOIN","579-43-1","OC(c1ccccc1)C(O)c2ccccc2","OC(c1ccccc1)C(O)c2ccccc2",null,null,2,0,2,"NO","NO","Mantain","High Reliability","1884","Checked on ChemID, Checked on PubChem"]
[2221,1130,"DL-BENZOIN","579-44-2","O=C(c1ccccc1)C(O)c2ccccc2","O=C(c1ccccc1)C(O)c2ccccc2","O=C(c1ccccc1)C(O)c2ccccc2","O=C(c1ccccc1)C(O)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability","1340"]
[2222,144,"2,6-DIETHYLANILINE","579-66-8","CCc1c(c(ccc1)CC)N","CCc1c(c(ccc1)CC)N","CCc1c(c(ccc1)CC)N","CCc1c(c(ccc1)CC)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2223,3959,"o-methoxybenzoicacid","579-75-9","COOC(=O)c1ccccc1","COc1c(cccc1)C(=O)O","COc1c(cccc1)C(=O)O","COc1c(cccc1)C(=O)O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[2224,283,"2-BROMONAPHTHALENE","580-13-2","Brc1cc2c(cc1)cccc2","Brc1cc2c(cc1)cccc2","Brc1cc2c(cc1)cccc2","Brc1cc2c(cc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2225,4253,"6-HDROXYQUINOLINE","580-16-5",null,"Oc1cc2c(cc1)nccc2","Oc1cc2c(cc1)nccc2","Oc1cc2c(cc1)nccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2226,4256,"3-QUINOLINOL","580-18-7","Oc1cc2c(nc1)cccc2","Oc1cc2c(nc1)cccc2","Oc1cc2c(nc1)cccc2","Oc1cc2c(nc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2227,4254,"7-QUINOLINOL","580-20-1","Oc1cc2c(cc1)cccn2","Oc1cc2c(cc1)cccn2","Oc1cc2c(cc1)cccn2","Oc1cc2c(cc1)cccn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2228,473,"CHLORAZINE","580-48-3","CCN(CC)c1nc(nc(n1)Cl)N(CC)CC","CCN(CC)c1nc(nc(n1)Cl)N(CC)CC","CCN(CC)c1nc(nc(n1)Cl)N(CC)CC","CCN(CC)c1nc(nc(n1)Cl)N(CC)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2229,573,"2,3-DIMETHYLNAPHTHALENE","581-40-8","Cc1c(cc2c(c1)cccc2)C","Cc1c(cc2c(c1)cccc2)C","Cc1c(cc2c(c1)cccc2)C","Cc1c(cc2c(c1)cccc2)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2230,570,"2,6-DIMETHYLNAPHTHALENE","581-42-0","Cc1cc2c(cc1)cc(C)cc2","Cc1cc2c(cc1)cc(C)cc2","Cc1cc2c(cc1)cc(C)cc2","Cc1cc2c(cc1)cc(C)cc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2231,313,"2,6-NAPHTHALENEDIOL","581-43-1","Oc1cc2c(cc1)cc(O)cc2","Oc1cc2c(cc1)cc(O)cc2","Oc1cc2c(cc1)cc(O)cc2","Oc1cc2c(cc1)cc(O)cc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2232,56,"Anatabine","581-49-7","C=1CNC(CC1)c2cnccc2","C=1CNC(CC1)c2cnccc2",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[2233,303,"2,3'-BIPYRIDINE","581-50-0","c1cnc(cc1)-c2cnccc2","c1cnc(cc1)-c2cnccc2","c1cnc(cc1)-c2cnccc2","c1cnc(cc1)-c2cnccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2234,296,"2-NITRONAPHTHALENE","581-89-5","O=[N+]([O-])c1cc2c(cc1)cccc2","O=[N+]([O-])c1cc2c(cc1)cccc2","O=[N+]([O-])c1cc2c(cc1)cccc2","O=[N+]([O-])c1cc2c(cc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2235,null,".alpha.-glucoforanose,1,2:5,6-bis-o-(1-methylet","582-52-5",null,"CC1(OC(CO1)C2C(C3C(O2)OC(C)(C)O3)O)C",null,"CC1(OC(CO1)C2C(C3C(O2)OC(C)(C)O3)O)C",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[2236,2606,"8H-Purine-8-thione, 1,7-dihydro-","583-40-4","S=c1[nH]c2-c(n1)nc[nH]c2","S=c1[nH]c2c([nH]1)cncn2",null,"S=c1[nH]c2c([nH]1)cncn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2237,1923,"Potassium Oxalate","583-52-8","O=C(O)C(=O)O","O=C(O)C(=O)O","O=C(O)C(=O)O","O=C(O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1602"]
[2238,2973,"O-DIBROMOBENZENE","583-53-9","Brc1c(cccc1)Br","Brc1c(cccc1)Br","Brc1c(cccc1)Br","Brc1c(cccc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2239,3757,"1,2-DIMETHYLCYCLOHEXANE","583-57-3","CC1C(CCCC1)C","CC1C(CCCC1)C","CC1C(CCCC1)C","CC1C(CCCC1)C",4,0,0,"NO","NO","Mantain","High Reliability","3125, 3788"]
[2240,3588,"3,4-DIMETHYLPYRIDINE","583-58-4","Cc1c(cncc1)C","Cc1c(cncc1)C","Cc1c(cncc1)C","Cc1c(cncc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2241,3593,"2,3-DIMETHYLPYRIDINE","583-61-9","Cc1c(nccc1)C","Cc1c(nccc1)C","Cc1c(nccc1)C","Cc1c(nccc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2242,2989,"2,5-DICHLOROPHENOL","583-78-8","Oc1c(ccc(c1)Cl)Cl","Oc1c(ccc(c1)Cl)Cl","Oc1c(ccc(c1)Cl)Cl","Oc1c(ccc(c1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2243,2557,"3-PENTANOL","584-02-1","CCC(O)CC","CCC(O)CC","CCC(O)CC","CCC(O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2244,2231,"1,2-BUTANEDIOL","584-03-2","CCC(O)CO","CCC(O)CO","CCC(O)CO","CCC(O)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2245,1659,"ALLETHRIN","584-79-2","C=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O","C=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O","C=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O","C=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2246,null,"Butanedioic acid, bromo-, (.+-.)-","584-98-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2247,null,"Alanine, N-(aminocarbonyl)-","585-04-6","CC(NC(N)=O)C(=O)O",null,"CC(NC(N)=O)C(=O)O",null,2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Stereochemistry removed, Checked on PubChem"]
[2248,3720,"T-BUTYL METHACRYLATE","585-07-9","C=C(C)C(=O)OC(C)(C)C","C=C(C)C(=O)OC(C)(C)C","C=C(C)C(=O)OC(C)(C)C","C=C(C)C(=O)OC(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2249,132,"PHENOL, 3-(1,1-DIMETHYLETHYL)-","585-34-2","CC(C)(C)c1cc(ccc1)O","CC(C)(C)c1cc(ccc1)O","CC(C)(C)c1cc(ccc1)O","CC(C)(C)c1cc(ccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2250,2588,"2-Furancarboxylic acid, 5-bromo-","585-70-6","O=C(O)c1oc(cc1)Br","O=C(O)c1oc(cc1)Br","O=C(O)c1oc(cc1)Br","O=C(O)c1oc(cc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2251,3381,"M-BROMOBENZOIC ACID","585-76-2","O=C(O)c1cc(ccc1)Br","O=C(O)c1cc(ccc1)Br","O=C(O)c1cc(ccc1)Br","O=C(O)c1cc(ccc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2252,2982,"3-BROMO-1-NITROBENZENE","585-79-5","O=[N+]([O-])c1cc(ccc1)Br","O=[N+]([O-])c1cc(ccc1)Br","O=[N+]([O-])c1cc(ccc1)Br","O=[N+]([O-])c1cc(ccc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2253,3096,"1-Propene-1,2,3-tricarboxylic acid, (Z)-","585-84-2","O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1905","Stereochemistry removed"]
[2254,708,"Lactitol","585-86-4","OCC(O)C(O)C(OC1C(C(C(C(O1)CO)O)O)O)C(O)CO","OCC(O)C(O)C(OC1C(C(C(C(O1)CO)O)O)O)C(O)CO","OCC(O)C(O)C(OC1C(C(C(C(O1)CO)O)O)O)C(O)CO","OCC(O)C(O)C(OC1C(C(C(C(O1)CO)O)O)O)C(O)CO",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2255,690,"MELIBIOSE","585-99-9","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[2256,3022,"3,5-DINITROPHENOL","586-11-8","O=[N+]([O-])c1cc(cc(c1)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(cc(c1)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(cc(c1)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(cc(c1)O)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2257,3857,"1,4-Benzenedicarboxylic acid, 2-bromo-","586-35-6","O=C(O)c1cc(c(cc1)C(=O)O)Br","O=C(O)c1cc(c(cc1)C(=O)O)Br","O=C(O)c1cc(c(cc1)C(=O)O)Br","O=C(O)c1cc(c(cc1)C(=O)O)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2258,155,"TERPINOLENE","586-62-9","CC=1CCC(CC1)=C(C)C","CC=1CCC(CC1)=C(C)C","CC=1CCC(CC1)=C(C)C","CC=1CCC(CC1)=C(C)C",4,0,0,"NO","NO","Mantain","High Reliability","858, 1542, 3688"]
[2259,3382,"P-BROMOBENZOIC ACID","586-76-5","O=C(O)c1ccc(cc1)Br","O=C(O)c1ccc(cc1)Br","O=C(O)c1ccc(cc1)Br","O=C(O)c1ccc(cc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2260,null,"2-(methoxymethyl)-5-no2furan","586-84-5",null,"COCc1oc(cc1)[N+](=O)[O-]",null,"COCc1oc(cc1)[N+](=O)[O-]",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2261,3114,"4-PYRIDINEMETHANOL","586-95-8","OCc1ccncc1","OCc1ccncc1","OCc1ccncc1","OCc1ccncc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2262,null,"2-Propanol, 1,3-dichloro-, carbamate","587-01-9","OC(CCl)CCl","NC(=O)OC(CCl)CCl","NC(=O)OC(CCl)CCl",null,2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[2263,3648,"M-METHYLBENZYL ALCOHOL","587-03-1","Cc1cc(ccc1)CO","Cc1cc(ccc1)CO","Cc1cc(ccc1)CO","Cc1cc(ccc1)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2264,28,"Propyliodone","587-61-1","CCCOC(=O)Cn1cc(c(c(c1)I)=O)I","CCCOC(=O)Cn1cc(c(c(c1)I)=O)I","CCCOC(=O)Cn1cc(c(c(c1)I)=O)I","CCCOC(=O)Cn1cc(c(c(c1)I)=O)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2265,3876,"3,5-DICHLOROPHENOXYACETIC ACID","587-64-4","O=C(O)COc1cc(cc(c1)Cl)Cl","O=C(O)COc1cc(cc(c1)Cl)Cl","O=C(O)COc1cc(cc(c1)Cl)Cl","O=C(O)COc1cc(cc(c1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2266,3878,"3,4-DICHLOROPHENOXYACETIC ACID","588-22-7","O=C(O)COc1cc(c(cc1)Cl)Cl","O=C(O)COc1cc(c(cc1)Cl)Cl","O=C(O)COc1cc(c(cc1)Cl)Cl","O=C(O)COc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2267,3912,"M-CHLOROPHENOXYACETIC ACID","588-32-9","O=C(O)COc1cc(ccc1)Cl","O=C(O)COc1cc(ccc1)Cl","O=C(O)COc1cc(ccc1)Cl","O=C(O)COc1cc(ccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2268,1120,"STILBENE","588-59-0","C(=Cc1ccccc1)c2ccccc2","C(=Cc1ccccc1)c2ccccc2","C(=Cc1ccccc1)c2ccccc2","C(=Cc1ccccc1)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability","929","Stereochemistry removed"]
[2269,3647,"P-METHYL BENZYL ALCOHOL","589-18-4","Cc1ccc(cc1)CO","Cc1ccc(cc1)CO","Cc1ccc(cc1)CO","Cc1ccc(cc1)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2270,3653,"1,4-Benzenedimethanol","589-29-7","OCc1ccc(cc1)CO","OCc1ccc(cc1)CO","OCc1ccc(cc1)CO","OCc1ccc(cc1)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2271,3299,"3-METHYLHEXANE","589-34-4","CCCC(C)CC","CCCC(C)CC","CCCC(C)CC","CCCC(C)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2272,2877,"3-Methyl-1-pentanol","589-35-5","CCC(C)CCO","CCC(C)CCO","CCC(C)CCO","CCC(C)CCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2273,2799,"3-HEXANONE","589-38-8","CCCC(=O)CC","CCCC(=O)CC","CCCC(=O)CC","CCCC(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability","3539, 3541"]
[2274,3310,"4-HEPTANOL","589-55-9","CCCC(O)CCC","CCCC(O)CCC","CCCC(O)CCC","CCCC(O)CCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2275,3793,"3-METHYLHEPTANE","589-81-1","CCCCC(C)CC","CCCCC(C)CC","CCCCC(C)CC","CCCCC(C)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2276,3309,"3-HEPTANOL","589-82-2","CCCCC(O)CC","CCCCC(O)CC","CCCCC(O)CC","CCCCC(O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2277,2981,"4-BROMOIODOBENZENE","589-87-7","Brc1ccc(cc1)I","Brc1ccc(cc1)I","Brc1ccc(cc1)I","Brc1ccc(cc1)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2278,3755,"1,4-DIMETHYLCYCLOHEXANE","589-90-2","CC1CCC(CC1)C","CC1CCC(CC1)C","CC1CCC(CC1)C","CC1CCC(CC1)C",4,0,0,"NO","NO","Mantain","High Reliability","3126"]
[2279,3261,"4-METHYLCYCLOHEXANOL","589-91-3","CC1CCC(CC1)O","CC1CCC(CC1)O","CC1CCC(CC1)O","CC1CCC(CC1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2280,3587,"2,5-DIMETHYLPYRIDINE","589-93-5","Cc1cnc(cc1)C","Cc1cnc(cc1)C","Cc1cnc(cc1)C","Cc1cnc(cc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2281,null,"Potassium Percarbonate","589-97-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2282,3267,"N-BUTYL PROPIONATE","590-01-2","CCCCOC(=O)CC","CCCCOC(=O)CC","CCCCOC(=O)CC","CCCCOC(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2283,1901,"ETHENE, 1,2-DIBROMO-, (Z)-","590-11-4","BrC=CBr","BrC=CBr",null,null,2,0,2,"NO","NO","Mantain","High Reliability","4399","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[2284,2379,"CIS-2-BUTENE","590-18-1","CC=CC","CC=CC","CC=CC","CC=CC",4,0,0,"NO","NO","Mantain","High Reliability","1020, 2508","Stereochemistry removed"]
[2285,1918,"1,2-DIIODOETHENE (CIS)","590-26-1","IC=CI","IC=CI",null,null,2,0,2,"NO","NO","Mantain","High Reliability","2286","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[2286,1918,"1,2-DIIODOETHENE (TRANS)","590-27-2","IC=CI","IC=CI",null,null,2,0,2,"NO","NO","Mantain","High Reliability","2285","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[2287,4381,"POTASSIUM CYANATE","590-28-3","N#CO","N#CO","N#CO","N#CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2288,4343,"Potassium Formate","590-29-4","O=CO","O=CO","O=CO","O=CO",4,0,0,"NO","NO","Mantain","High Reliability","226, 1566","Organic counterion, Differences in counterions"]
[2289,3300,"2,2-DIMETHYLPENTANE","590-35-2","CCCC(C)(C)C","CCCC(C)(C)C","CCCC(C)(C)C","CCCC(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2290,2880,"2-METHYL-2-PENTANOL","590-36-3","CCCC(C)(C)O","CCCC(C)(C)O","CCCC(C)(C)O","CCCC(C)(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2291,3305,"Bethanechol Chloride","590-63-6","CC(C[N+](C)(C)C)OC(N)=O","CC(C[N+](C)(C)C)OC(N)=O","CC(C[N+](C)(C)C)OC(N)=O","CC(C[N+](C)(C)C)OC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2292,3794,"2,2-DIMETHYLHEXANE","590-73-8","CCCCC(C)(C)C","CCCCC(C)(C)C","CCCCC(C)(C)C","CCCCC(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2293,2488,"3-METHYL-1-BUTANAL","590-86-3","CC(C)CC=O","CC(C)CC=O","CC(C)CC=O","CC(C)CC=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2294,1995,"Dicyanodiamidine Sulfate","591-01-5","NC(=O)N=C(N)N","NC(=O)N=C(N)N",null,"N=C(N)NC(N)=O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Differences in counterions"]
[2295,2124,"Acetamide, N-(aminocarbonyl)-","591-07-1","CC(=O)NC(N)=O","CC(=O)NC(N)=O","CC(=O)NC(N)=O","CC(=O)NC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2296,2132,"1-ACETYL-2-THIOUREA","591-08-2","CC(=O)NC(N)=S","CC(=O)NC(N)=S","CC(=O)NC(N)=S","CC(=O)NC(N)=S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2297,2641,"2(3H)-Furanone, 5-methyl-","591-12-8","CC=1OC(CC1)=O","CC=1OC(CC1)=O","CC=1OC(CC1)=O","CC=1OC(CC1)=O",4,0,0,"NO","NO","Mantain","High Reliability","2893"]
[2298,3492,"M-BROMOTOLUENE","591-17-3","Cc1cc(ccc1)Br","Cc1cc(ccc1)Br","Cc1cc(ccc1)Br","Cc1cc(ccc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2299,3035,"M-BROMOPHENOL","591-20-8","Oc1cc(ccc1)Br","Oc1cc(ccc1)Br","Oc1cc(ccc1)Br","Oc1cc(ccc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2300,3590,"3,5-DIMETHYLPYRIDINE","591-22-0","Cc1cc(cnc1)C","Cc1cc(cnc1)C","Cc1cc(cnc1)C","Cc1cc(cnc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2301,3205,"3-METHYLCYCLOHEXANONE","591-24-2","CC1CC(CCC1)=O","CC1CC(CCC1)=O","CC1CC(CCC1)=O","CC1CC(CCC1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2302,3112,"PHENOL, 3-AMINO-","591-27-5","Nc1cc(ccc1)O","Nc1cc(ccc1)O","Nc1cc(ccc1)O","Nc1cc(ccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2303,2991,"3,5-DICHLOROPHENOL","591-35-5","Oc1cc(cc(c1)Cl)Cl","Oc1cc(cc(c1)Cl)Cl","Oc1cc(cc(c1)Cl)Cl","Oc1cc(cc(c1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2304,3194,"1-METHYLCYCLOHEXENE","591-49-1","CC=1CCCCC1","CC=1CCCCC1","CC=1CCCCC1","CC=1CCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2305,3046,"IODOBENZENE","591-50-4","Ic1ccccc1","Ic1ccccc1","Ic1ccccc1","Ic1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2306,3298,"2-METHYLHEXANE","591-76-4","CCCCC(C)C","CCCCC(C)C",null,"CCCCC(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2307,2797,"2-HEXANONE","591-78-6","CCCCC(C)=O","CCCCC(C)=O","CCCCC(C)=O","CCCCC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2308,2163,"Hydrazinecarboxamide, 2-ethylidene-","591-86-6","CC=NNC(N)=O","CC=NNC(N)=O",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed, Checked on PubChem"]
[2309,2672,"ALLYL ACETATE","591-87-7","C=CCOC(C)=O","C=CCOC(C)=O","C=CCOC(C)=O","C=CCOC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2310,2656,"1,4-PENTADIENE","591-93-5","C=CCC=C","C=CCC=C","C=CCC=C",null,3,0,1,"NO","NO","Mantain","Medium Reliability","2542"]
[2311,2358,"1-CHLORO-2-BUTENE","591-97-9","CC=CCCl","CC=CCCl","CC=CCCl","CC=CCCl",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2312,2526,"O-BUTYL CARBAMATE","592-35-8","CCCCOC(N)=O","CCCCOC(N)=O",null,"CCCCOC(N)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2313,2767,"1-HEXENE","592-41-6","C=CCCCC","C=CCCCC","C=CCCCC","C=CCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2314,2709,"1,5-HEXADIENE","592-42-7","C=CCCC=C","C=CCCC=C","C=CCCC=C","C=CCCC=C",4,0,0,"NO","NO","Mantain","High Reliability","2635, 2752, 4432"]
[2315,3241,"1-HEPTENE","592-76-7","C=CCCCCC","C=CCCCCC","C=CCCCCC","C=CCCCCC",4,0,0,"NO","NO","Mantain","High Reliability","2316, 4040"]
[2316,3241,"2-Heptene","592-77-8","CC=CCCCC","CC=CCCCC","CC=CCCCC","CC=CCCCC",4,0,0,"NO","NO","Mantain","High Reliability","2315, 4040","Stereochemistry removed"]
[2317,2492,"N-BUTYLFORMATE","592-84-7",null,"CCCCOC=O","CCCCOC=O","CCCCOC=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2318,1597,"OCTADECANE","593-45-3","CCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2319,4349,"FLUOROMETHANE","593-53-3","CF","CF","CF","CF",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2320,null,"Ethylarsine","593-59-9","CC[AsH2]","CC[AsH2]","CC[As]","CC[As]",2,2,0,"YES","NO","Eliminate","-",null,"Unusual elements, Missing/ambiguous"]
[2321,4338,"CHLOROFLUOROMETHANE","593-70-4","FCCl","FCCl","FCCl","FCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2322,null,"Dimethyl selenide","593-79-3","C[Se]C","C[Se]C","C[Se]C","C[Se]C",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[2323,2516,"BUTANE, 2-CHLORO-2-METHYL-","594-36-5","CCC(C)(C)Cl","CCC(C)(C)Cl","CCC(C)(C)Cl","CCC(C)(C)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2324,1904,"Acetamide, 2,2,2-tribromo-","594-47-8","NC(=O)C(Br)(Br)Br",null,"NC(=O)C(Br)(Br)Br","NC(=O)C(Br)(Br)Br",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2325,2887,"2,3-DIMETHYL-2-BUTANOL","594-60-5","CC(C)C(C)(C)O","CC(C)C(C)(C)O","CC(C)C(C)(C)O","CC(C)C(C)(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2326,1910,"TRICHLOROACETAMIDE","594-65-0","NC(=O)C(Cl)(Cl)Cl","NC(=O)C(Cl)(Cl)Cl","NC(=O)C(Cl)(Cl)Cl","NC(=O)C(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2327,1933,"1,1-DICHLORO-1-NITROETHANE","594-72-9","CC(Cl)(Cl)[N+](=O)[O-]","CC(Cl)(Cl)[N+](=O)[O-]","CC(Cl)(Cl)[N+](=O)[O-]","CC(Cl)(Cl)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2328,3325,"2,3,3,-TRIMETHYL-2-BUTANOL","594-83-2","CC(C)(C)C(C)(C)O","CC(C)(C)C(C)(C)O","CC(C)(C)C(C)(C)O","CC(C)(C)C(C)(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2329,1845,"MEGESTROL ACETATE","595-33-5","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C(C)=O","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C(C)=O","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C(C)=O","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C(C)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2330,2528,"DL-Isovaline","595-39-1","CCC(C)(N)C(=O)O","CCC(C)(N)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2331,3320,"2,3-DIMETHYL-3-PENTANOL","595-41-5","CCC(C)(O)C(C)C","CCC(C)(O)C(C)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2332,2087,"1,1-Dichloro-1-nitropropane","595-44-8","CCC(Cl)(Cl)[N+](=O)[O-]","CCC(Cl)(Cl)[N+](=O)[O-]","CCC(Cl)(Cl)[N+](=O)[O-]","CCC(Cl)(Cl)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2333,2682,"DIMETHYLMALONIC ACID","595-46-0","CC(C)(C(=O)O)C(=O)O","CC(C)(C(=O)O)C(=O)O","CC(C)(C(=O)O)C(=O)O","CC(C)(C(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2334,2538,"2-ETHYL-2-NITRO-1,3-PROPANEDIOL","597-09-1","CCC(CO)(CO)[N+](=O)[O-]","CCC(CO)(CO)[N+](=O)[O-]","CCC(CO)(CO)[N+](=O)[O-]","CCC(CO)(CO)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2335,2504,"3-HYDROXY-2,2-DIMETHYLPROPANAL","597-31-9","CC(C)(C=O)CO","CC(C)(C=O)CO","CC(C)(C=O)CO","CC(C)(C=O)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2336,2385,"2-Propanol, 1,3-dichloro-2-methyl-","597-32-0","CC(O)(CCl)CCl",null,"CC(O)(CCl)CCl","CC(O)(CCl)CCl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2337,2239,"DIETHYL SULFONE","597-35-3","CCS(=O)(=O)CC","CCS(=O)(=O)CC",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2338,2737,"Butanedioic acid, 2,2-dimethyl-","597-43-3","CC(C)(CC(=O)O)C(=O)O","CC(C)(CC(=O)O)C(=O)O","CC(C)(CC(=O)O)C(=O)O","CC(C)(CC(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2339,3315,"3-ETHYL-3-PENTANOL","597-49-9","CCC(O)(CC)CC","CCC(O)(CC)CC","CCC(O)(CC)CC","CCC(O)(CC)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2340,2756,"1,2,3-Propanetricarboxamide, 2-hydroxy-","597-59-1","NC(=O)CC(O)(CC(N)=O)C(N)=O","NC(=O)CC(O)(CC(N)=O)C(N)=O","NC(=O)CC(O)(CC(N)=O)C(N)=O","NC(=O)CC(O)(CC(N)=O)C(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2341,null,"1,3-propanediol,2,2-bis(acetyloxy)methyl-,di","597-71-7",null,"CC(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O",null,"CC(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2342,3314,"3-METHYL-3-HEXANOL","597-96-6","CCCC(C)(O)CC","CCCC(C)(O)CC","CCCC(C)(O)CC","CCCC(C)(O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2343,3811,"4-HEPTANOL, 4-METHYL-","598-01-6","CCCC(C)(O)CCC","CCCC(C)(O)CCC","CCCC(C)(O)CCC","CCCC(C)(O)CCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2344,3810,"3-METHYL-3-HEPTANOL","598-06-1","CCCCC(C)(O)CC","CCCCC(C)(O)CC",null,null,2,0,2,"NO","NO","Mantain","High Reliability","3633","Checked on ChemID, Checked on PubChem"]
[2345,2364,"OXIRANE, 2-(CHLOROMETHYL)-2-METHYL-","598-09-4","CC1(OC1)CCl","CC1(OC1)CCl",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2346,1924,"1,2-DIBROMO-1-CHLOROETHANE","598-20-9","ClC(Br)CBr","ClC(Br)CBr","ClC(Br)CBr","ClC(Br)CBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2347,1993,"UREA, METHYL-","598-50-5","CNC(N)=O","CNC(N)=O","CNC(N)=O","CNC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2348,2229,"METHYL ISOPROPYL ETHER","598-53-8","COC(C)C","COC(C)C","COC(C)C","COC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2349,1985,"O-METHYL CARBAMATE","598-55-0","COC(N)=O","COC(N)=O","COC(N)=O","COC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2350,1925,"Acetamide, 2,2-dibromo-","598-70-9","NC(=O)C(Br)Br","NC(=O)C(Br)Br","NC(=O)C(Br)Br","NC(=O)C(Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2351,2559,"3-METHYL-2-BUTANOL","598-75-4","CC(C)C(C)O","CC(C)C(C)O","CC(C)C(C)O","CC(C)C(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2352,2088,"1,1,2-TRICHLOROPROPANE","598-77-6","CC(Cl)C(Cl)Cl","CC(Cl)C(Cl)Cl","CC(Cl)C(Cl)Cl","CC(Cl)C(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2353,2095,"2-CHLOROPROPIONIC ACID","598-78-7","CC(Cl)C(=O)O","CC(Cl)C(=O)O","CC(Cl)C(=O)O","CC(Cl)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2354,2148,"A-HYDROXYPROPIONIC ACID","598-82-3",null,"CC(O)C(=O)O","CC(O)C(=O)O","CC(O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","10, 290","Stereochemistry removed"]
[2355,1956,"ETHANE, 1-CHLORO-1-NITRO-","598-92-5","CC(Cl)[N+](=O)[O-]","CC(Cl)[N+](=O)[O-]","CC(Cl)[N+](=O)[O-]","CC(Cl)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2356,null,"benzenesulfonicacid,4-methyl-,2-methylphenyl","599-75-7",null,"Cc1ccc(cc1)S(=O)(=O)Oc2c(cccc2)C",null,"Cc1ccc(cc1)S(=O)(=O)Oc2c(cccc2)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2357,null,"4-SULFANILAMIDOPYRIMIDINE","599-82-6","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[2358,null,"Benzenesulfonamide, 4-amino-N-(2-methyl-4-pyrimi","599-84-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2359,380,"SULFAPERINE","599-88-2","Cc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N","Cc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N","Cc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N","Cc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2360,2750,"ETHANE, 1,1,1-TRICHLORO-2,2-DIETHOXY-","599-97-3","CCOC(OCC)C(Cl)(Cl)Cl","CCOC(OCC)C(Cl)(Cl)Cl","CCOC(OCC)C(Cl)(Cl)Cl","CCOC(OCC)C(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2361,null,"2-Chloro-2-butenoic acdi","600-13-5",null,"CC=C(Cl)C(=O)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[2362,2674,"2,3-Pentanedione","600-14-6","CCC(=O)C(C)=O","CCC(=O)C(C)=O","CCC(=O)C(C)=O","CCC(=O)C(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2363,2120,"1-Chloro-1-nitropropane","600-25-9","CCC(Cl)[N+](=O)[O-]","CCC(Cl)[N+](=O)[O-]","CCC(Cl)[N+](=O)[O-]","CCC(Cl)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2364,3316,"2,4-DIMETHYL-3-PENTANOL","600-36-2","CC(C)C(O)C(C)C","CC(C)C(O)C(C)C","CC(C)C(O)C(C)C","CC(C)C(O)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2365,2680,"ETHYLMALONIC ACID","601-75-2","CCC(C(=O)O)C(=O)O","CCC(C(=O)O)C(=O)O","CCC(C(=O)O)C(=O)O","CCC(C(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2366,2867,"DI-I-PROPYLNITROSOAMINE","601-77-4",null,"CC(C)N(N=O)C(C)C","CC(C)N(N=O)C(C)C","CC(C)N(N=O)C(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2367,3063,"2-NITRORESORCINOL","601-89-8","O=[N+]([O-])c1c(cccc1O)O","O=[N+]([O-])c1c(cccc1O)O","O=[N+]([O-])c1c(cccc1O)O","O=[N+]([O-])c1c(cccc1O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2368,277,"NAPHTHALENE, 1,8-DINITRO-","602-38-0","O=[N+]([O-])c1c2c(ccc1)cccc2[N+](=O)[O-]","O=[N+]([O-])c1c2c(ccc1)cccc2[N+](=O)[O-]","O=[N+]([O-])c1c2c(ccc1)cccc2[N+](=O)[O-]","O=[N+]([O-])c1c2c(ccc1)cccc2[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2369,1261,"ANTHRACENE, 9-NITRO-","602-60-8","O=[N+]([O-])c1c2c(cc3c1cccc3)cccc2","O=[N+]([O-])c1c2c(cc3c1cccc3)cccc2","O=[N+]([O-])c1c2c(cc3c1cccc3)cccc2","O=[N+]([O-])c1c2c(cc3c1cccc3)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2370,954,"ACENAPHTHYLENE, 1,2-DIHYDRO-5-NITRO-","602-87-9","O=[N+]([O-])c1c2c3c(cc1)CCc3ccc2","O=[N+]([O-])c1c2c3c(cc1)CCc3ccc2","O=[N+]([O-])c1c2c3c(cc1)CCc3ccc2","O=[N+]([O-])c1c2c3c(cc1)CCc3ccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2371,3351,"Benzoic acid, 2,6-dibromo-3,4,5-trihydroxy-","602-92-6","O=C(O)c1c(c(c(c(c1Br)O)O)O)Br",{"$nulls":3},1,0,3,"NO","NO","Mantain","Medium Reliability","","Checked on ChemID, Checked on PubChem"]
[2372,3412,"3-METHYL-2,4,6-TRINITROPHENOL","602-99-3","Cc1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-]","Cc1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-]","Cc1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-]","Cc1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2373,124,"PROXYPHYLLINE","603-00-9","CC(O)Cn1c2c(nc1)n(c(n(c2=O)C)=O)C","CC(O)Cn1c2c(nc1)n(c(n(c2=O)C)=O)C","CC(O)Cn1c2c(nc1)n(c(n(c2=O)C)=O)C","CC(O)Cn1c2c(nc1)n(c(n(c2=O)C)=O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2374,3872,"3-NITROPHTHALIC ACID","603-11-2","O=C(O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O","O=C(O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O","O=C(O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O","O=C(O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2375,1612,"ROSOLIC ACID","603-45-2","O=C1C=CC(C=C1)=C(c2ccc(cc2)O)c3ccc(cc3)O","O=C1C=CC(C=C1)=C(c2ccc(cc2)O)c3ccc(cc3)O",null,"O=C1C=CC(C=C1)=C(c2ccc(cc2)O)c3ccc(cc3)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2376,null,"HLORALANTIPYRINE","603-63-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2377,1407,"Benzoic acid, 2-benzoyl-, ethyl ester","604-61-5","CCOC(=O)c1c(cccc1)C(=O)c2ccccc2","CCOC(=O)c1c(cccc1)C(=O)c2ccccc2","CCOC(=O)c1c(cccc1)C(=O)c2ccccc2","CCOC(=O)c1c(cccc1)C(=O)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2378,1445,"beta-D-glucopyranose, pentaacetate","604-69-3","CC(=O)OCC1C(C(C(C(O1)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O","CC(=O)OCC1C(C(C(C(O1)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[2379,1247,"2-HYDROXYANTHRAQUINONE","605-32-3","O=C1c2c(C(c3c1cccc3)=O)cc(O)cc2","O=C1c2c(C(c3c1cccc3)=O)cc(O)cc2","O=C1c2c(C(c3c1cccc3)=O)cc(O)cc2","O=C1c2c(C(c3c1cccc3)=O)cc(O)cc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2380,1191,"DI-I-PROPYL PHTHALATE","605-45-8",null,"CC(C)OC(=O)c1c(cccc1)C(=O)OC(C)C","CC(C)OC(=O)c1c(cccc1)C(=O)OC(C)C","CC(C)OC(=O)c1c(cccc1)C(=O)OC(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2381,278,"NAPHTHALENE, 1,5-DINITRO-","605-71-0","O=[N+]([O-])c1c2c(ccc1)c([N+](=O)[O-])ccc2","O=[N+]([O-])c1c2c(ccc1)c([N+](=O)[O-])ccc2","O=[N+]([O-])c1c2c(ccc1)c([N+](=O)[O-])ccc2","O=[N+]([O-])c1c2c(ccc1)c([N+](=O)[O-])ccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2382,3456,"2,6-DINITROTOLUENE","606-20-2","Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2383,1289,"BENZOIC ACID, 2-BENZOYL-, METHYL ESTER","606-28-0","COC(=O)c1c(cccc1)C(=O)c2ccccc2","COC(=O)c1c(cccc1)C(=O)c2ccccc2","COC(=O)c1c(cccc1)C(=O)c2ccccc2","COC(=O)c1c(cccc1)C(=O)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2384,3854,"2,4(1H,3H)-Quinazolinedione, 6,8-dinitro-","606-33-7","O=c1[nH]c2c(c([nH]1)=O)cc([N+](=O)[O-])cc2[N+](=O)[O-]","O=c1[nH]c2c(c([nH]1)=O)cc([N+](=O)[O-])cc2[N+](=O)[O-]","O=c1[nH]c2c(c([nH]1)=O)cc([N+](=O)[O-])cc2[N+](=O)[O-]","O=c1[nH]c2c(c([nH]1)=O)cc([N+](=O)[O-])cc2[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2385,3411,"2,4,6-TRINITROANISOLE","606-35-9","COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2386,333,"1-METHYL-2(H)-QUINOLINONE","606-43-9",null,"Cn1c2c(ccc1=O)cccc2","Cn1c2c(ccc1=O)cccc2","Cn1c2c(ccc1=O)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2387,1096,"2-NITROFLUORENE","607-57-8","O=[N+]([O-])c1cc2c(cc1)-c3c(C2)cccc3","O=[N+]([O-])c1cc2c(cc1)-c3c(C2)cccc3","O=[N+]([O-])c1cc2c(cc1)-c3c(C2)cccc3","O=[N+]([O-])c1cc2c(cc1)-c3c(C2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2388,334,"4-Hydroxy-2-methylquinoline","607-67-0","Cc1nc2c(c(c1)O)cccc2","Cc1[nH]c2c(c(c1)=O)cccc2",null,"Cc1[nH]c2c(c(c1)=O)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2389,311,"2H-1-Benzopyran-2-one, 4-methyl-","607-71-6","Cc1c2c(oc(c1)=O)cccc2","Cc1c2c(oc(c1)=O)cccc2","Cc1c2c(oc(c1)=O)cccc2","Cc1c2c(oc(c1)=O)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2390,2946,"1,2,3-TRIBROMOBENZENE","608-21-9","Brc1c(c(ccc1)Br)Br","Brc1c(c(ccc1)Br)Br",null,null,2,0,2,"NO","NO","Mantain","High Reliability","4469","Checked on ChemID, Checked on PubChem"]
[2391,3567,"1,3-Benzenediol, 2-methyl-","608-25-3","Cc1c(cccc1O)O","Cc1c(cccc1O)O","Cc1c(cccc1O)O","Cc1c(cccc1O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2392,2279,"Butanedioic acid, 2,3-dibromo-, (R*,S*)-","608-36-6","O=C(O)C(Br)C(Br)C(=O)O","O=C(O)C(Br)C(Br)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[2393,null,"Butanedioic acid, 2,3-dimethyl-, (R*,R*)-(.+-.)-","608-39-9",null,"CC(C(=O)O)C(C)C(=O)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[2394,2732,"BUTANEDIOIC ACID, 2,3-DIMETHYL-, (R*,S*)-","608-40-2","CC(C(=O)O)C(C)C(=O)O","CC(C(=O)O)C(C)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[2395,null,"Altraric acid, D-","608-60-6","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[2396,2904,"GALACTITOL","608-66-2","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",4,0,0,"NO","NO","Mantain","High Reliability","30, 268","Stereochemistry removed"]
[2397,null,"1,2,3,4,5,6-HEXACHLOROCYCLOHEXANE (mixture)","608-73-1",null,"ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",null,"ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",2,0,2,"NO","NO","Eliminate","-",null,"Mixture"]
[2398,3167,"PENTACHLOROBENZENE","608-93-5","Clc1c(c(c(c(c1)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)Cl)Cl)Cl",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2399,2960,"trichlorohydroquinone","608-94-6","Oc1c(c(c(cc1)OCl)Cl)Cl","Oc1c(c(c(c(c1)Cl)O)Cl)Cl","Oc1c(c(c(c(c1)Cl)O)Cl)Cl","Oc1c(c(c(c(c1)Cl)O)Cl)Cl",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[2400,3184,"Propanedioic acid, oxo-, diethyl ester","609-09-6","CCOC(=O)C(=O)C(=O)OCC","CCOC(=O)C(=O)C(=O)OCC","CCOC(=O)C(=O)C(=O)OCC","CCOC(=O)C(=O)C(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2401,2459,"2-NITRO-1-BUTANOL","609-31-4","CCC(CO)[N+](=O)[O-]","CCC(CO)[N+](=O)[O-]","CCC(CO)[N+](=O)[O-]","CCC(CO)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2402,2952,"2,4-DICHLORO-6-NITROPHENOL","609-89-2","O=[N+]([O-])c1c(c(cc(c1)Cl)Cl)O","O=[N+]([O-])c1c(c(cc(c1)Cl)Cl)O","O=[N+]([O-])c1c(c(cc(c1)Cl)Cl)O","O=[N+]([O-])c1c(c(cc(c1)Cl)Cl)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2403,null,"Benzoic acid, 2-amino-3,5-dinitro-","609-97-2","Nc1c(cc(cc1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[2404,4242,"1,3,5-Benzenetricarboxylic acid, 2-hydroxy-","609-98-3","O=C(O)c1cc(c(c(c1)C(=O)O)O)C(=O)O",null,"O=C(O)c1cc(c(c(c1)C(=O)O)O)C(=O)O","O=C(O)c1cc(c(c(c1)C(=O)O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2405,3489,"2,3,4-TRIHYDROXYBENZOIC ACID","610-02-6","O=C(O)c1c(c(c(cc1)O)O)O","O=C(O)c1c(c(c(cc1)O)O)O","O=C(O)c1c(c(c(cc1)O)O)O","O=C(O)c1c(c(c(cc1)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2406,3897,"Benzoic acid, 3-formyl-2-hydroxy-","610-04-8","O=Cc1c(c(ccc1)C(=O)O)O","O=Cc1c(c(ccc1)C(=O)O)O","O=Cc1c(c(ccc1)C(=O)O)O","O=Cc1c(c(ccc1)C(=O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2407,3977,"1,4-Cyclohexadiene-1,2-dicarboxylic acid","610-13-9","O=C(O)C=1CC=CCC1C(=O)O",null,"O=C(O)C=1CC=CCC1C(=O)O","O=C(O)C=1CC=CCC1C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2408,3375,"2,4-DINITROBENZOIC ACID","610-30-0","O=C(O)c1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2409,3455,"1,2-DINO2 4-METHYL BENZENE","610-39-9",null,"Cc1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]","Cc1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]","Cc1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2410,1277,"1-METHYLANTHRACENE","610-48-0","Cc1c2c(ccc1)cc3c(cccc3)c2","Cc1c2c(ccc1)cc3c(cccc3)c2","Cc1c2c(ccc1)cc3c(cccc3)c2","Cc1c2c(ccc1)cc3c(cccc3)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2411,3869,"1(3H)-ISOBENZOFURANONE, 6-NITRO-","610-93-5","O=C1c2c(CO1)ccc([N+](=O)[O-])c2","O=C1c2c(CO1)ccc([N+](=O)[O-])c2",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2412,4082,"1-ETHYL-2-METHYLBENZENE","611-14-3","CCc1c(cccc1)C","CCc1c(cccc1)C","CCc1c(cccc1)C","CCc1c(cccc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2413,4258,"4-Hydroxyquinoline","611-36-9","Oc1c2c(ncc1)cccc2","O=c1c2c([nH]cc1)cccc2","O=c1c2c([nH]cc1)cccc2","O=c1c2c([nH]cc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability","2011"]
[2414,null,"2,5-Pyrrolidinedione, 1-(4-ethoxyphenyl)-","611-41-6","CCOc1ccc(cc1)N2C(CCC2=O)=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[2415,3967,"BENZENEACETIC ACID, .alpha.-HYDROXY-, (R)-","611-71-2","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability","657, 2416, 4147","Stereochemistry removed"]
[2416,3967,"dl-Mandelic acid","611-72-3","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability","657, 2415, 4147"]
[2417,3895,"BENZOYLFORMIC ACID","611-73-4","O=C(O)C(=O)c1ccccc1","O=C(O)C(=O)c1ccccc1","O=C(O)C(=O)c1ccccc1","O=C(O)C(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2418,3655,"1,2-Benzenedimethanol","612-14-6","OCc1c(cccc1)CO","OCc1c(cccc1)CO","OCc1c(cccc1)CO","OCc1c(cccc1)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2419,3966,"Benzoic acid, 2-(hydroxymethyl)-","612-20-4","O=C(O)c1c(cccc1)CO","O=C(O)c1c(cccc1)CO","O=C(O)c1c(cccc1)CO",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2420,3993,"2-ETHYLNITROBENZENE","612-22-6","CCc1c(cccc1)[N+](=O)[O-]","CCc1c(cccc1)[N+](=O)[O-]","CCc1c(cccc1)[N+](=O)[O-]","CCc1c(cccc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2421,3545,"2-NITROBENZYL ALCOHOL","612-25-9","O=[N+]([O-])c1c(cccc1)CO","O=[N+]([O-])c1c(cccc1)CO","O=[N+]([O-])c1c(cccc1)CO","O=[N+]([O-])c1c(cccc1)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2422,1279,"2-METHYLANTHRACENE","613-12-7","Cc1cc2c(cc1)cc3c(cccc3)c2","Cc1cc2c(cc1)cc3c(cccc3)c2","Cc1cc2c(cc1)cc3c(cccc3)c2","Cc1cc2c(cc1)cc3c(cccc3)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2423,1115,"2-AMINOANTHRACENE","613-13-8","Nc1cc2c(cc1)cc3c(cccc3)c2","Nc1cc2c(cc1)cc3c(cccc3)c2","Nc1cc2c(cc1)cc3c(cccc3)c2","Nc1cc2c(cc1)cc3c(cccc3)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2424,1143,"P-TOLYLTOLUENE","613-33-2",null,"Cc1ccc(cc1)-c2ccc(cc2)C","Cc1ccc(cc1)-c2ccc(cc2)C","Cc1ccc(cc1)-c2ccc(cc2)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2425,4029,"Benzaldehyde, 2-ethoxy-","613-69-4","CCOc1c(cccc1)C=O","CCOc1c(cccc1)C=O","CCOc1c(cccc1)C=O","CCOc1c(cccc1)C=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2426,null,"NICOTINIC ACID, ETHYL ESTER","614-18-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Organic counterion, Missing/ambiguous"]
[2427,1116,"N-Benzoylbenzamide","614-28-8","O=C(NC(=O)c1ccccc1)c2ccccc2","O=C(NC(=O)c1ccccc1)c2ccccc2","O=C(NC(=O)c1ccccc1)c2ccccc2","O=C(NC(=O)c1ccccc1)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2428,3913,"o-chlorophenoxyaceticacid","614-61-9","O=C(COc1ccccc1)OCl","O=C(O)COc1c(cccc1)Cl","O=C(O)COc1c(cccc1)Cl","O=C(O)COc1c(cccc1)Cl",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[2429,3623,"Urea, (2-methylphenyl)-","614-77-7","Cc1c(cccc1)NC(N)=O","Cc1c(cccc1)NC(N)=O",null,"Cc1c(cccc1)NC(N)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2430,3995,"O-HYDROXYACETANILIDE","614-80-2","CC(=O)Nc1c(cccc1)O","CC(=O)Nc1c(cccc1)O","CC(=O)Nc1c(cccc1)O","CC(=O)Nc1c(cccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2431,3937,"2-methylbenaimidazole","615-15-6",null,"Cc1[nH]c2c(n1)cccc2",null,"Cc1[nH]c2c(n1)cccc2",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[2432,3925,"2-METHYLTHIOBENZOTHIAZOLE","615-22-5","CSc1sc2c(n1)cccc2","CSc1sc2c(n1)cccc2","CSc1sc2c(n1)cccc2","CSc1sc2c(n1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2433,2394,"N,N'-dimethyloxalamide","615-35-0","CNC(=O)C(=O)NC","CNC(=O)C(=O)NC","CNC(=O)C(=O)NC","CNC(=O)C(=O)NC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2434,3000,"2-CHLOROIODOBENZENE","615-41-8","Clc1c(cccc1)I","Clc1c(cccc1)I","Clc1c(cccc1)I","Clc1c(cccc1)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2435,3014,"1,2-DIIODOBENZENE","615-42-9","Ic1c(cccc1)I","Ic1c(cccc1)I","Ic1c(cccc1)I","Ic1c(cccc1)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2436,2398,"ETHYL N-METHYLNITROSOCARBAMATE","615-53-2","CCOC(=O)N(C)N=O","CCOC(=O)N(C)N=O","CCOC(=O)N(C)N=O","CCOC(=O)N(C)N=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2437,2944,"1,2,4-TRIBROMOBENZENE","615-54-3","Brc1cc(c(cc1)Br)Br","Brc1cc(c(cc1)Br)Br","Brc1cc(c(cc1)Br)Br","Brc1cc(c(cc1)Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2438,2974,"2,4-DIBROMOPHENOL","615-58-7","Oc1c(cc(cc1)Br)Br","Oc1c(cc(cc1)Br)Br","Oc1c(cc(cc1)Br)Br","Oc1c(cc(cc1)Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2439,3044,"CHLOROHYDROQUINONE","615-67-8","Oc1cc(c(cc1)O)Cl","Oc1cc(c(cc1)O)Cl","Oc1cc(c(cc1)O)Cl","Oc1cc(c(cc1)O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2440,2634,"1-METHYLURACIL","615-77-0","Cn1c([nH]c(cc1)=O)=O","Cn1c([nH]c(cc1)=O)=O","Cn1c([nH]c(cc1)=O)=O","Cn1c([nH]c(cc1)=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2441,2847,"DL-Norleucine","616-06-8","CCCCC(N)C(=O)O","CCCCC(N)C(=O)O",null,"CCCCC(N)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","3572"]
[2442,2515,"3-CHLOROPENTANE","616-20-6","CCC(Cl)CC","CCC(Cl)CC","CCC(Cl)CC","CCC(Cl)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2443,2485,"1-PENTEN-3-OL","616-25-1","C=CC(O)CC","C=CC(O)CC","C=CC(O)CC","C=CC(O)CC",4,0,0,"NO","NO","Mantain","High Reliability","770"]
[2444,2576,"Ethanamine, N-ethyl-N-methyl-","616-39-7","CCN(C)CC","CCN(C)CC","CCN(C)CC","CCN(C)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2445,2647,"3-METHYLTHIOPHENE","616-44-4","Cc1cscc1","Cc1cscc1","Cc1cscc1","Cc1cscc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2446,2370,"PYRROLIDONE","616-45-5","O=C1NCCC1","O=C1NCCC1","O=C1NCCC1","O=C1NCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2447,2322,"1H-IMIDAZOLE, 1-METHYL-","616-47-7","Cn1cncc1","Cn1cncc1","Cn1cncc1","Cn1cncc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2448,2731,"PROPYLPROPANEDIOIC ACID","616-62-6","CCCC(C(=O)O)C(=O)O","CCCC(C(=O)O)C(=O)O","CCCC(C(=O)O)C(=O)O","CCCC(C(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2449,3025,"1,3-Benzenediol, 4,6-dinitro-","616-74-0","O=[N+]([O-])c1c(cc(c(c1)[N+](=O)[O-])O)O","O=[N+]([O-])c1c(cc(c(c1)[N+](=O)[O-])O)O","O=[N+]([O-])c1c(cc(c(c1)[N+](=O)[O-])O)O","O=[N+]([O-])c1c(cc(c(c1)[N+](=O)[O-])O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2450,3896,"Benzoic acid, 5-formyl-2-hydroxy-","616-76-2","O=Cc1cc(c(cc1)O)C(=O)O","O=Cc1cc(c(cc1)O)C(=O)O","O=Cc1cc(c(cc1)O)C(=O)O","O=Cc1cc(c(cc1)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2451,3457,"2-AMINO-5-NITROBENZOIC ACID","616-79-5","Nc1c(cc(cc1)[N+](=O)[O-])C(=O)O","Nc1c(cc(cc1)[N+](=O)[O-])C(=O)O","Nc1c(cc(cc1)[N+](=O)[O-])C(=O)O","Nc1c(cc(cc1)[N+](=O)[O-])C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2452,3727,"PENTYLMALONIC ACID","616-88-6","CCCCCC(C(=O)O)C(=O)O","CCCCCC(C(=O)O)C(=O)O",null,"CCCCCC(C(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2453,3313,"2-METHYL-3-HEXANOL","617-29-8","CCCC(O)C(C)C","CCCC(O)C(C)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2454,2373,"DL-Aspartic acid","617-45-8","NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","109"]
[2455,2351,"Butanedioic acid, hydroxy-, (.+-.)-","617-48-1","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O",null,"O=C(O)CC(O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","2595, 3796"]
[2456,3183,"2-Butenedioic acid, 2-methyl-, dimethyl ester, (","617-53-8",null,"COC(=O)C=C(C)C(=O)OC","COC(=O)C=C(C)C(=O)OC",null,2,0,2,"NO","NO","Mantain","High Reliability","2457","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[2457,3183,"2-Butenedioic acid, 2-methyl-, dimethyl ester, (","617-54-9",null,"COC(=O)C=C(C)C(=O)OC","COC(=O)C=C(C)C(=O)OC","COC(=O)C=C(C)C(=O)OC",3,0,1,"NO","NO","Mantain","Medium Reliability","2456","Stereochemistry removed"]
[2458,2701,"GLUTAMIC ACID (DL)","617-65-2","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",null,"NC(CCC(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","111, 1536, 1582, 3790, 3792"]
[2459,2522,"N,N-DIETHYLFORMAMIDE","617-84-5","CCN(C=O)CC","CCN(C=O)CC","CCN(C=O)CC","CCN(C=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2460,2650,"2-AMINOMETHYLFURAN","617-89-0","NCc1occc1","NCc1occc1","NCc1occc1","NCc1occc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2461,3612,"Benzenesulfonic acid, 3-amino-4-methyl-","618-03-1","Cc1c(cc(cc1)S(=O)(=O)O)N","Cc1c(cc(cc1)S(=O)(=O)O)N","Cc1c(cc(cc1)S(=O)(=O)O)N","Cc1c(cc(cc1)S(=O)(=O)O)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2462,3689,"Benzenesulfonic acid, 3-(dimethylamino)-","618-09-7","CN(C)c1cc(ccc1)S(=O)(=O)O",null,"CN(C)c1cc(ccc1)S(=O)(=O)O","CN(C)c1cc(ccc1)S(=O)(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2463,2590,"2-Furancarboxylic acid, 5-chloro-","618-30-4","O=C(O)c1oc(cc1)Cl","O=C(O)c1oc(cc1)Cl","O=C(O)c1oc(cc1)Cl","O=C(O)c1oc(cc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2464,3405,"3-IODOBENZOIC ACID","618-51-9","O=C(O)c1cc(ccc1)I","O=C(O)c1cc(ccc1)I","O=C(O)c1cc(ccc1)I","O=C(O)c1cc(ccc1)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2465,1032,"Helicin","618-65-5","O=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O","O=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O","O=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O","O=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2466,1343,"Melilotoside","618-67-7","O=C(O)C=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O","O=C(O)C=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[2467,3902,"5-Hydroxyisophthalic acid","618-83-7","O=C(O)c1cc(cc(c1)O)C(=O)O","O=C(O)c1cc(cc(c1)O)C(=O)O","O=C(O)c1cc(cc(c1)O)C(=O)O","O=C(O)c1cc(cc(c1)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2468,null,"Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2","619-02-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2469,4033,"3,4-Dimethylbenzoic acid","619-04-5","Cc1c(cc(cc1)C(=O)O)C","Cc1c(cc(cc1)C(=O)O)C","Cc1c(cc(cc1)C(=O)O)C","Cc1c(cc(cc1)C(=O)O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2470,3544,"M-NITROBENZYL ALCOHOL","619-25-0","O=[N+]([O-])c1cc(ccc1)CO","O=[N+]([O-])c1cc(ccc1)CO","O=[N+]([O-])c1cc(ccc1)CO","O=[N+]([O-])c1cc(ccc1)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2471,3991,"METHYL P-AMINOBENZOATE","619-45-4","COC(=O)c1ccc(cc1)N","COC(=O)c1ccc(cc1)N","COC(=O)c1ccc(cc1)N","COC(=O)c1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2472,3406,"4-IODOBENZOIC ACID","619-58-9","O=C(O)c1ccc(cc1)I","O=C(O)c1ccc(cc1)I","O=C(O)c1ccc(cc1)I","O=C(O)c1ccc(cc1)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2473,3868,"P-CYANOBENZOIC ACID","619-65-8","N#Cc1ccc(cc1)C(=O)O","N#Cc1ccc(cc1)C(=O)O",null,"N#Cc1ccc(cc1)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2474,3543,"P-NITROBENZYL ALCOHOL","619-73-8","O=[N+]([O-])c1ccc(cc1)CO","O=[N+]([O-])c1ccc(cc1)CO","O=[N+]([O-])c1ccc(cc1)CO","O=[N+]([O-])c1ccc(cc1)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2475,3702,"trans-Cyclohexane-1,4-dicarboxylic acid","619-82-9","O=C(O)C1CCC(CC1)C(=O)O","O=C(O)C1CCC(CC1)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[2476,4066,"4-DIMETHYLAMINO BENZOIC ACID","619-84-1","CN(C)c1ccc(cc1)C(=O)O","CN(C)c1ccc(cc1)C(=O)O",null,"CN(C)c1ccc(cc1)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2477,3572,"M-HYDROXYBENZYL ALCOHOL","620-24-6","OCc1cc(ccc1)O","OCc1cc(ccc1)O",null,"OCc1cc(ccc1)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2478,4272,"Acetamide, 2-cyano-N-phenyl-","621-03-4","N#CCC(=O)Nc1ccccc1","N#CCC(=O)Nc1ccccc1","N#CCC(=O)Nc1ccccc1","N#CCC(=O)Nc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2479,3968,"M-HYDROXYPHENYLACETIC ACID","621-37-4","O=C(O)Cc1cc(ccc1)O","O=C(O)Cc1cc(ccc1)O","O=C(O)Cc1cc(ccc1)O","O=C(O)Cc1cc(ccc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2480,2865,"N-NITROSODIPROPYLAMINE","621-64-7","CCCN(CCC)N=O","CCCN(CCC)N=O","CCCN(CCC)N=O","CCCN(CCC)N=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2481,1761,"TRICAPROIN","621-70-5","CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC","CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC","CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC","CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2482,1379,"1-Pentanamine, N,N-dipentyl-","621-77-2","CCCCCN(CCCCC)CCCCC","CCCCCN(CCCCC)CCCCC","CCCCCN(CCCCC)CCCCC","CCCCCN(CCCCC)CCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2483,4282,"CINNAMIC ACID","621-82-9","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability","1552","Stereochemistry removed"]
[2484,3998,"O-BENZYL CARBAMATE","621-84-1","NC(=O)OCc1ccccc1","NC(=O)OCc1ccccc1",null,"NC(=O)OCc1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2485,4105,"ETHYLENE GLYCOL MONOBENZYL ETHER","622-08-2","OCCOCc1ccccc1","OCCOCc1ccccc1","OCCOCc1ccccc1","OCCOCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2486,3923,"4-METHYLPHENYLISOTHIOCYANATE","622-59-3","Cc1ccc(cc1)N=C=S","Cc1ccc(cc1)N=C=S","Cc1ccc(cc1)N=C=S","Cc1ccc(cc1)N=C=S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2487,3924,"BENZYLISOTHIOCYANATE","622-78-6","S=C=NCc1ccccc1","S=C=NCc1ccccc1","S=C=NCc1ccccc1","S=C=NCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2488,3605,"Metoquinone","622-91-3","CNc1ccc(cc1)O","CNc1ccc(cc1)O","CNc1ccc(cc1)O","CNc1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability","","Organic counterion"]
[2489,4081,"P-ETHYLTOLUENE","622-96-8","CCc1ccc(cc1)C","CCc1ccc(cc1)C","CCc1ccc(cc1)C","CCc1ccc(cc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2490,4006,"P-METHYLSTYRENE","622-97-9","C=Cc1ccc(cc1)C","C=Cc1ccc(cc1)C","C=Cc1ccc(cc1)C","C=Cc1ccc(cc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2491,3571,"P-HYDROXYBENZYL ALCOHOL","623-05-2","OCc1ccc(cc1)O","OCc1ccc(cc1)O","OCc1ccc(cc1)O","OCc1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2492,3602,"Benzenamine, N-hydroxy-4-methyl-","623-10-9","Cc1ccc(cc1)NO","Cc1ccc(cc1)NO","Cc1ccc(cc1)NO","Cc1ccc(cc1)NO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2493,3510,"4-CHLOROANISOLE","623-12-1","COc1ccc(cc1)Cl","COc1ccc(cc1)Cl","COc1ccc(cc1)Cl","COc1ccc(cc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2494,3893,"1,4-Benzenedicarboxaldehyde","623-27-8","O=Cc1ccc(cc1)C=O","O=Cc1ccc(cc1)C=O","O=Cc1ccc(cc1)C=O","O=Cc1ccc(cc1)C=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2495,2875,"3-HEXANOL","623-37-0","CCCC(O)CC","CCCC(O)CC","CCCC(O)CC","CCCC(O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2496,2495,"METHYLBUTYRATE","623-42-7","CCCC(=O)OC","CCCC(=O)OC","CCCC(=O)OC","CCCC(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2497,2529,"ETHYL ETHYLCARBAMATE","623-78-9","CCNC(=O)OCC","CCNC(=O)OCC","CCNC(=O)OCC","CCNC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2498,3224,"1,2-propyleneglycoldiacetate","623-84-7","CC(O)CO","CC(=O)OCC(C)OC(C)=O","CC(=O)OCC(C)OC(C)=O","CC(=O)OCC(C)OC(C)=O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[2499,2131,"1,2,3-PROPANETRIOL, 1,3-DINITRATE","623-87-0","O=[N+]([O-])OCC(O)CO[N+](=O)[O-]","O=[N+]([O-])OCC(O)CO[N+](=O)[O-]",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2500,4201,"5-NONANOL","623-93-8","CCCCC(O)CCCC","CCCCC(O)CCCC","CCCCC(O)CCCC","CCCCC(O)CCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2501,1591,"Decanedioic acid, bis(2-ethoxyethyl) ester","624-10-2","CCOCCOC(=O)CCCCCCCCC(=O)OCCOCC","CCOCCOC(=O)CCCCCCCCC(=O)OCCOCC","CCOCCOC(=O)CCCCCCCCC(=O)OCCOCC","CCOCCOC(=O)CCCCCCCCC(=O)OCCOCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2502,1074,"DIETHYL AZELATE","624-17-9","CCOC(=O)CCCCCCCC(=O)OCC","CCOC(=O)CCCCCCCC(=O)OCC","CCOC(=O)CCCCCCCC(=O)OCC","CCOC(=O)CCCCCCCC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2503,2812,"METHYL VALERATE","624-24-8","CCCCC(=O)OC","CCCCC(=O)OC","CCCCC(=O)OC","CCCCC(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2504,3012,"1,4-DIIODOBENZENE","624-38-4","Ic1ccc(cc1)I","Ic1ccc(cc1)I","Ic1ccc(cc1)I","Ic1ccc(cc1)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2505,3144,"methylmaleate","624-48-6","COC(=O)C=CC(=O)O","COC(=O)C=CC(=O)OC","COC(=O)C=CC(=O)OC","COC(=O)C=CC(=O)OC",3,1,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Name verified in PubChem"]
[2506,4199,"3-NONANOL","624-51-1","CCCCCCC(O)CC","CCCCCCC(O)CC","CCCCCCC(O)CC","CCCCCCC(O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2507,3769,"AMYL PROPIONATE","624-54-4","CCCCCOC(=O)CC","CCCCCOC(=O)CC","CCCCCOC(=O)CC","CCCCCOC(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2508,2379,"TRANS-2-BUTENE","624-64-6","CC=CC","CC=CC","CC=CC","CC=CC",4,0,0,"NO","NO","Mantain","High Reliability","1020, 2284","Stereochemistry removed"]
[2509,1959,"ETHANE, 1,2-DIIODO-","624-73-7","ICCI","ICCI","ICCI","ICCI",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2510,2006,"DIMETHYLDISULFIDE","624-92-0","CSSC","CSSC","CSSC","CSSC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2511,2892,"3,3-DIMETHYL-1-BUTANOL","624-95-3","CC(C)(C)CCO","CC(C)(C)CCO","CC(C)(C)CCO","CC(C)(C)CCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2512,3323,"2,4-DIMETHYL-2-PENTANOL","625-06-9","CC(C)CC(C)(C)O","CC(C)CC(C)(C)O","CC(C)CC(C)(C)O","CC(C)CC(C)(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2513,2866,"Urea, (1,1-dimethylpropyl)-","625-15-0","CCC(C)(C)NC(N)=O","CCC(C)(C)NC(N)=O","CCC(C)(C)NC(N)=O","CCC(C)(C)NC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2514,3311,"2-METHYL-2-HEXANOL","625-23-0","CCCCC(C)(C)O","CCCCC(C)(C)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2515,3805,"2-METHYL-2-HEPTANOL","625-25-2","CCCCCC(C)(C)O","CCCCCC(C)(C)O","CCCCCC(C)(C)O","CCCCCC(C)(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2516,2514,"2-CHLOROPENTANE","625-29-6","CCCC(C)Cl","CCCC(C)Cl","CCCC(C)Cl","CCCC(C)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2517,2564,"METHYL ISOBUTYL ETHER","625-44-5","COCC(C)C","COCC(C)C","COCC(C)C","COCC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2518,2150,"METHOXYACETIC ACID","625-45-6","COCC(=O)O","COCC(=O)O","COCC(=O)O","COCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2519,1987,"2-NITROETHANOL","625-48-9","O=[N+]([O-])CCO","O=[N+]([O-])CCO","O=[N+]([O-])CCO","O=[N+]([O-])CCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2520,2562,"ETHYL ISOPROPYL ETHER","625-54-7","CCOC(C)C","CCOC(C)C","CCOC(C)C","CCOC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2521,2421,"ISOPROPYL FORMATE","625-55-8","CC(C)OC=O","CC(C)OC=O","CC(C)OC=O","CC(C)OC=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2522,2996,"M-CHLOROFLUOROBENZENE","625-98-9","Fc1cc(ccc1)Cl","Fc1cc(ccc1)Cl","Fc1cc(ccc1)Cl","Fc1cc(ccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2523,2999,"3-CHLOROIODOBENZENE","625-99-0","Clc1cc(ccc1)I","Clc1cc(ccc1)I","Clc1cc(ccc1)I","Clc1cc(ccc1)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2524,3013,"1,3-DIIODOBENZENE","626-00-6","Ic1cc(ccc1)I","Ic1cc(ccc1)I","Ic1cc(ccc1)I","Ic1cc(ccc1)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2525,2624,"2,4-Dihydroxypyridine","626-03-9","Oc1cc(ncc1)O","O=c1cc([nH]cc1)O","Oc1cc(ncc1)O","Oc1cc(ncc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2526,3654,"1,3-Benzenedimethanol","626-18-6","OCc1cc(ccc1)CO","OCc1cc(ccc1)CO","OCc1cc(ccc1)CO","OCc1cc(ccc1)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2527,2945,"1,3,5-TRIBROMOBENZENE","626-39-1","Brc1cc(cc(c1)Br)Br","Brc1cc(cc(c1)Br)Br","Brc1cc(cc(c1)Br)Br","Brc1cc(cc(c1)Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2528,3038,"3,5-DICHLOROANILINE","626-43-7","Nc1cc(cc(c1)Cl)Cl","Nc1cc(cc(c1)Cl)Cl","Nc1cc(cc(c1)Cl)Cl","Nc1cc(cc(c1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2529,2632,"24pyrimidinedione6methyl","626-48-2",null,"Cc1[nH]c([nH]c(c1)=O)=O",null,"Cc1[nH]c([nH]c(c1)=O)=O",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[2530,2620,"4-HYDROXYPYRIDINE","626-64-2","Oc1ccncc1","O=c1cc[nH]cc1","Oc1ccncc1","Oc1ccncc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2531,2843,"N-METHYLPIPERIDINE","626-67-5","CN1CCCCC1","CN1CCCCC1","CN1CCCCC1","CN1CCCCC1",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[2532,1080,"2-Propanol, 1,3-bis(3-methylbutoxy)-","626-78-8","CC(C)CCOCC(O)COCCC(C)C","CC(C)CCOCC(O)COCCC(C)C","CC(C)CCOCC(O)COCCC(C)C","CC(C)CCOCC(O)COCCC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2533,3726,"HEXANEDIOIC ACID, MONOETHYL ESTER","626-86-8","CCOC(=O)CCCCC(=O)O","CCOC(=O)CCCCC(=O)O","CCOC(=O)CCCCC(=O)O","CCOC(=O)CCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2534,2891,"4-METHYL-1-PENTANOL","626-89-1","CC(C)CCCO","CC(C)CCCO","CC(C)CCCO","CC(C)CCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2535,2873,"2-HEXANOL","626-93-7","CCCCC(C)O","CCCCC(C)O","CCCCC(C)O","CCCCC(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2536,2671,"2-Pentenoic acid","626-98-2","CCC=CC(=O)O","CCC=CC(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[2537,2448,"1-NITROBUTANE","627-05-4","CCCC[N+](=O)[O-]","CCCC[N+](=O)[O-]","CCCC[N+](=O)[O-]","CCCC[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2538,2881,"PROPYL ISOPROPYL ETHER","627-08-7","CCCOC(C)C","CCCOC(C)C","CCCOC(C)C","CCCOC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2539,2449,"O-PROPYLCARBAMATE","627-12-3",null,"CCCOC(N)=O","CCCOC(N)=O","CCCOC(N)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2540,2175,"1-PROPYLNITRATE","627-13-4","CCCO[N+](=O)[O-]","CCCO[N+](=O)[O-]","CCCO[N+](=O)[O-]","CCCO[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2541,2154,"3-BROMOPROPANOL","627-18-9","OCCCBr","OCCCBr","OCCCBr","OCCCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2542,2656,"1-PENTYNE","627-19-0","C#CCCC","C#CCCC","C#CCCC","C#CCCC",4,0,0,"NO","NO","Mantain","High Reliability","2310"]
[2543,2470,"CIS-2-PENTENE","627-20-3","CC=CCC","CC=CCC","CC=CCC","CC=CCC",4,0,0,"NO","NO","Mantain","High Reliability","1139, 1140, 2617","Stereochemistry removed"]
[2544,2158,"3-CHLORO-1-PROPANOL","627-30-5","OCCCCl","OCCCCl","OCCCCl","OCCCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2545,2157,"Ethane, 1-chloro-2-methoxy-","627-42-9","COCCCl","COCCCl","COCCCl","COCCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2546,3321,"5-METHYL-2-HEXANOL","627-59-8","CC(C)CCC(C)O","CC(C)CCC(C)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2547,null,"Pentanoic acid, 4-amino-, (.+-.)-","627-61-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2548,null,"S-<(E)-1,2-dichloro-vinyl>-L-cysteine","627-72-5",null,"NC(CSC(Cl)=CCl)C(=O)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[2549,3824,"3-isopentyloxy-propane-1,2-diol","627-92-9","CC(C)CCOCC(O)CO","CC(C)CCOCC(O)CO","CC(C)CCOCC(O)CO","CC(C)CCOCC(O)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2550,3725,"HEXANEDIOIC ACID, DIMETHYL ESTER","627-93-0","COC(=O)CCCCC(=O)OC","COC(=O)CCCCC(=O)OC","COC(=O)CCCCC(=O)OC",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2551,2525,"1-NITROPENTANE","628-05-7","CCCCC[N+](=O)[O-]","CCCCC[N+](=O)[O-]","CCCCC[N+](=O)[O-]","CCCCC[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2552,2555,"METHYL N-BUTYL ETHER","628-28-4","CCCCOC","CCCCOC","CCCCOC","CCCCOC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2553,2558,"ETHYL PROPYL ETHER","628-32-0","CCCOCC","CCCOCC","CCCOCC","CCCOCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2554,3123,"1,4-CYCLOHEXADIENE","628-41-1","C=1CC=CCC1","C=1CC=CCC1","C=1CC=CCC1","C=1CC=CCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2555,3265,"N-AMYL ACETATE","628-63-7","CCCCCOC(C)=O","CCCCCOC(C)=O","CCCCCOC(C)=O","CCCCCOC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2556,3225,"1,3-propanediol,diacetate","628-66-0","OCCCO","CC(=O)OCCCOC(C)=O","CC(=O)OCCCOC(C)=O","CC(=O)OCCCOC(C)=O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[2557,3193,"1-HEPTYNE","628-71-7","C#CCCCCC","C#CCCCCC","C#CCCCCC","C#CCCCCC",4,0,0,"NO","NO","Mantain","High Reliability","2836, 3324"]
[2558,3192,"CYCLOHEPTENE","628-92-2","C=1CCCCCC1","C=1CCCCCC1","C=1CCCCCC1","C=1CCCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2559,2783,"HEXANEDIAMIDE","628-94-4","NC(=O)CCCCC(N)=O","NC(=O)CCCCC(N)=O","NC(=O)CCCCC(N)=O","NC(=O)CCCCC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2560,null,"ETHYLENE GLYCOL DINITRATE","628-96-6","O=[N+]([O-])O","O=[N+]([O-])OCCO[N+](=O)[O-]","O=[N+]([O-])OCCO[N+](=O)[O-]","O=[N+]([O-])OCCO[N+](=O)[O-]",3,1,0,"NO","NO","Eliminate","-",null,"Inorganic"]
[2561,4198,"2-NONANOL","628-99-9","CCCCCCCC(C)O","CCCCCCCC(C)O","CCCCCCCC(C)O","CCCCCCCC(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2562,3285,"1-BROMOHEPTANE","629-04-9","CCCCCCCBr","CCCCCCCBr","CCCCCCCBr","CCCCCCCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2563,3709,"1-OCTYNE","629-05-0","C#CCCCCCC","C#CCCCCCC","C#CCCCCCC","C#CCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2564,3286,"1-CHLOROHEPTANE","629-06-1","CCCCCCCCl","CCCCCCCCl","CCCCCCCCl","CCCCCCCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2565,2895,"1,2-DIETHOXYETHANE","629-14-1","CCOCCOCC","CCOCCOCC","CCOCCOCC","CCOCCOCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2566,1079,"N-TRIDECANE","629-50-5","CCCCCCCCCCCCC","CCCCCCCCCCCCC","CCCCCCCCCCCCC","CCCCCCCCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2567,1231,"TETRADECANE","629-59-4","CCCCCCCCCCCCCC","CCCCCCCCCCCCCC","CCCCCCCCCCCCCC","CCCCCCCCCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2568,1377,"N-PENTADECANE","629-62-9","CCCCCCCCCCCCCCC","CCCCCCCCCCCCCCC","CCCCCCCCCCCCCCC","CCCCCCCCCCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2569,1378,"1-PENTADECANOL","629-76-5","CCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2570,1877,"HEXACOSANE","630-01-3","CCCCCCCCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCCCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2571,2042,"HEXATRIACONTANE","630-06-8","CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2572,1912,"1,1,1,2-TETRACHLOROETHANE","630-20-6","ClCC(Cl)(Cl)Cl","ClCC(Cl)(Cl)Cl","ClCC(Cl)(Cl)Cl","ClCC(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2573,3733,"Butanedioic acid, tetramethyl-","630-51-3","CC(C)(C(=O)O)C(C)(C)C(=O)O","CC(C)(C(=O)O)C(C)(C)C(=O)O",null,"CC(C)(C(=O)O)C(C)(C)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2574,377,"2,4-IMIDAZOLIDINEDIONE, 5-ETHYL-5-PHENYL-","631-07-2","CCC1(C(NC(N1)=O)=O)c2ccccc2","CCC1(C(NC(N1)=O)=O)c2ccccc2","CCC1(C(=NC(=N1)O)O)c2ccccc2","CCC1(C(=NC(=N1)O)O)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2575,3217,"2-Ethyl-2-methyl-succinic acid","631-31-2","CCC(C)(CC(=O)O)C(=O)O","CCC(C)(CC(=O)O)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2576,null,"TETRAETHYLSILANE","631-36-7","CC[Si](CC)(CC)CC","CC[Si](CC)(CC)CC","CC[Si](CC)(CC)CC","CC[Si](CC)(CC)CC",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[2577,1903,"Acetic acid, dibromo-","631-64-1","O=C(O)C(Br)Br","O=C(O)C(Br)Br","O=C(O)C(Br)Br","O=C(O)C(Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2578,32,"SULFASOMIZOLE","632-00-8","Cc1nsc(c1)NS(=O)(=O)c2ccc(cc2)N","Cc1nsc(c1)NS(=O)(=O)c2ccc(cc2)N","Cc1nsc(c1)NS(=O)(=O)c2ccc(cc2)N","Cc1nsc(c1)NS(=O)(=O)c2ccc(cc2)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2579,null,"Isoserine","632-12-2","NCC(O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[2580,2547,"TETRAMETHYLUREA","632-22-4","CN(C)C(=O)N(C)C","CN(C)C(=O)N(C)C","CN(C)C(=O)N(C)C","CN(C)C(=O)N(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2581,3490,"BENZOIC ACID, 2-SULFO-","632-25-7","O=C(O)c1c(cccc1)S(=O)(=O)O","O=C(O)c1c(cccc1)S(=O)(=O)O","O=C(O)c1c(cccc1)S(=O)(=O)O","O=C(O)c1c(cccc1)S(=O)(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[2582,3851,"TETRACHLOROPHTHALIC ACID","632-58-6","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)O","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)O","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)O","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2583,null,"2,3,4-Pyridinetricarboxylic acid","632-95-1","O=C(O)c1c(c(ncc1)C(=O)O)C(=O)O",null,"O=C(O)c1c(c(ncc1)C(=O)O)C(=O)O",null,2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[2584,3342,"Benzoic acid, 2,4,6-tribromo-","633-12-5","O=C(O)c1c(cc(cc1Br)Br)Br","O=C(O)c1c(cc(cc1Br)Br)Br","O=C(O)c1c(cc(cc1Br)Br)Br","O=C(O)c1c(cc(cc1Br)Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2585,2378,"Butanoic acid, 4-amino-2,3-dihydroxy-4-oxo-","634-64-0","NC(=O)C(O)C(O)C(=O)O",null,"NC(=O)C(O)C(O)C(=O)O","NC(=O)C(O)C(O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2586,2935,"1,2,3,4-TETRACHLOROBENZENE","634-66-2","Clc1c(c(c(cc1)Cl)Cl)Cl","Clc1c(c(c(cc1)Cl)Cl)Cl","Clc1c(c(c(cc1)Cl)Cl)Cl","Clc1c(c(c(cc1)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2587,2937,"1,2,3,5-TETRACHLOROBENZENE","634-90-2","Clc1cc(c(c(c1)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2588,2995,"2,4,6-TRICHLOROANILINE","634-93-5","Nc1c(cc(cc1Cl)Cl)Cl","Nc1c(cc(cc1Cl)Cl)Cl","Nc1c(cc(cc1Cl)Cl)Cl","Nc1c(cc(cc1Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2589,2038,"Bilirubin","635-65-4","C=CC=1C(NC(C1C)=Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)C=C4C(=C(C(N4)=O)C)C=C)C)CCC(=O)O)CCC(=O)O)C)=O","C=CC=1C(NC(C1C)=Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)C=C4C(=C(C(N4)=O)C)C=C)C)CCC(=O)O)CCC(=O)O)C)=O","C=CC=1C(NC(C1C)=Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)C=C4C(=C(C(N4)=O)C)C=C)C)CCC(=O)O)CCC(=O)O)C)=O","C=CC=1C(NC(C1C)=Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)C=C4C(=C(C(N4)=O)C)C=C)C)CCC(=O)O)CCC(=O)O)C)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2590,899,"Resorufin","635-78-9","O=c1cc2-c(cc1)nc3c(cc(cc3)O)o2","O=c1cc2-c(cc1)nc3c(cc(cc3)O)o2","O=c1cc2-c(cc1)nc3c(cc(cc3)O)o2","O=c1cc2-c(cc1)nc3c(cc(cc3)O)o2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2591,null,"4(1h)-pyrimidinone,2,3-dihydro-5-methyl-2-thiox","636-26-0",null,"Cc1c([nH]c([nH]c1)=S)=O",null,"Cc1c([nH]c([nH]c1)=S)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2592,2930,"1,2,4,5-TETRABROMOBENZENE","636-28-2","Brc1c(cc(c(c1)Br)Br)Br","Brc1c(cc(c(c1)Br)Br)Br","Brc1c(cc(c(c1)Br)Br)Br","Brc1c(cc(c(c1)Br)Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2593,3901,"4-Hydroxyisophthalic acid","636-46-4","O=C(O)c1cc(c(cc1)O)C(=O)O","O=C(O)c1cc(c(cc1)O)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2594,null,"butanedioicacid,methyl-,(.+-.)-","636-60-2",null,"CC(CC(=O)O)C(=O)O",null,"CC(CC(=O)O)C(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2595,2351,"L-malic acid","636-61-3","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","2455, 3796","Stereochemistry removed"]
[2596,3180,"1-CYCLOHEXENE-1-CARBOXYLIC ACID","636-82-8","O=C(O)C=1CCCCC1","O=C(O)C=1CCCCC1","O=C(O)C=1CCCCC1","O=C(O)C=1CCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2597,null,"p-benzoquinoneoxime","637-62-7",null,"O=Nc1ccc(cc1)O",null,"O=C1C=CC(C=C1)=NO",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2598,2818,"ISOPROPYL PROPIONATE","637-78-5","CCC(=O)OC(C)C","CCC(=O)OC(C)C","CCC(=O)OC(C)C","CCC(=O)OC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2599,2998,"4-CHLOROIODOBENZENE","637-87-6","Clc1ccc(cc1)I","Clc1ccc(cc1)I","Clc1ccc(cc1)I","Clc1ccc(cc1)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2600,2890,"ETHYL T-BUTYL ETHER","637-92-3","CCOC(C)(C)C","CCOC(C)(C)C","CCOC(C)(C)C","CCOC(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2601,null,"4H-1,3,5-Dithiazine, dihydro-2,4,6-trimethyl-,","638-17-5",null,"CC1SC(SC(N1)C)C",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[2602,2664,"1,3-DIACETYLUREA","638-20-0","CC(=O)NC(=O)NC(C)=O","CC(=O)NC(=O)NC(C)=O",null,"CC(=O)NC(=O)NC(C)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2603,1077,"TRIDECANOIC ACID","638-53-9","CCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2604,null,"TRIPHENYLTIN CHLORIDE","639-58-7","Cl[Sn](c1ccccc1)(c2ccccc2)c3ccccc3",null,"Cl[Sn](c1ccccc1)(c2ccccc2)c3ccccc3",null,2,0,2,"NO","NO","Eliminate","-",null,"Unusual elements"]
[2605,2920,"THIOMETON","640-15-3","CCSCCSP(=S)(OC)OC","CCSCCSP(=S)(OC)OC","CCSCCSP(=S)(OC)OC","CCSCCSP(=S)(OC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2606,1958,"FLUOROACETAMIDE","640-19-7","NC(=O)CF","NC(=O)CF","NC(=O)CF","NC(=O)CF",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2607,1874,"GLYCOCHENODEOXYCHOLIC ACID","640-79-9","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","5037","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[2608,null,"D-Inositol","643-12-9","CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(N)C(=O)O","OC1C(C(C(C(C1O)O)O)O)O","OC1C(C(C(C(C1O)O)O)O)O",null,2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[2609,995,"4-METHYL-1,1'-BIPHENYL","644-08-6","Cc1ccc(cc1)-c2ccccc2","Cc1ccc(cc1)-c2ccccc2","Cc1ccc(cc1)-c2ccccc2","Cc1ccc(cc1)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2610,4287,"ACETYL BENZOYL PEROXIDE","644-31-5","CC(=O)OOC(=O)c1ccccc1","CC(=O)OOC(=O)c1ccccc1","CC(=O)OOC(=O)c1ccccc1","CC(=O)OOC(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2611,4172,"hexamethylmelamine","645-05-6",null,"CN(C)c1nc(nc(n1)N(C)C)N(C)C",null,"CN(C)c1nc(nc(n1)N(C)C)N(C)C",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[2612,3077,"Benzenamine, N-nitro-","645-55-6","O=[N+]([O-])Nc1ccccc1","O=[N+]([O-])Nc1ccccc1","O=[N+]([O-])Nc1ccccc1","O=[N+]([O-])Nc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2613,4097,"4-PROPYLPHENOL","645-56-7","CCCc1ccc(cc1)O","CCCc1ccc(cc1)O","CCCc1ccc(cc1)O","CCCc1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2614,3717,"2-ETHYL-2-HEXENAL","645-62-5","CCCC=C(C=O)CC","CCCC=C(C=O)CC","CCCC=C(C=O)CC","CCCC=C(C=O)CC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2615,2103,"1,3,5-Triazin-2(1H)-one, 4,6-diamino-","645-92-1","Nc1nc([nH]c(n1)N)=O","Nc1[nH]c(nc(n1)=O)N","Nc1nc([nH]c(n1)N)=O","Nc1nc([nH]c(n1)N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2616,2075,"1,3,5-Triazin-2,4-dione, 6-amino-","645-93-2","Nc1[nH]c([nH]c(n1)=O)=O","Nc1[nH]c([nH]c(n1)=O)=O",null,"Nc1[nH]c([nH]c(n1)=O)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2617,2470,"TRANS-2-PENTENE","646-04-8","CC=CCC","CC=CCC","CC=CCC","CC=CCC",4,0,0,"NO","NO","Mantain","High Reliability","1139, 1140, 2543","Stereochemistry removed"]
[2618,2143,"1,3-DIOXALANE","646-06-0",null,"C1OCOC1","C1OCOC1","C1OCOC1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2619,383,"SULFAMETER","651-06-9","COc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N","COc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N","COc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N","COc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2620,2533,"5-AMINOPENTANOIC ACID","660-88-8","NCCCCC(=O)O","NCCCCC(=O)O","NCCCCC(=O)O","NCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2621,1202,"TOLCYCLAMIDE","664-95-9","Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2","Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2",null,"Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2622,2463,"L-Homoserine","672-15-1","NC(CCO)C(=O)O","NC(CCO)C(=O)O","NC(CCO)C(=O)O",null,3,0,1,"NO","NO","Mantain","Medium Reliability","3030","Stereochemistry removed"]
[2623,3739,"SIMETONE","673-04-1","CCNc1nc(nc(n1)NCC)OC","CCNc1nc(nc(n1)NCC)OC","CCNc1nc(nc(n1)NCC)OC","CCNc1nc(nc(n1)NCC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2624,4070,"D-Phenylalanine","673-06-3","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","222, 1625","Stereochemistry removed"]
[2625,2926,"HEXAMETHYLPHOSPHORAMIDE","680-31-9","CN(C)P(=O)(N(C)C)N(C)C","CN(C)P(=O)(N(C)C)N(C)C","CN(C)P(=O)(N(C)C)N(C)C","CN(C)P(=O)(N(C)C)N(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2626,2241,"Ethanesulfonothioic acid, S-ethyl ester","682-91-7","CCSS(=O)(=O)CC","CCSS(=O)(=O)CC","CCSS(=O)(=O)CC","CCSS(=O)(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2627,null,"Dibutyl dichloro tin","683-18-1","CCCC[Sn](Cl)(Cl)CCCC",null,"CCCC[Sn](Cl)(Cl)CCCC","CCCC[Sn](Cl)(Cl)CCCC",3,0,1,"NO","NO","Eliminate","-",null,"Unusual elements"]
[2628,1949,"BROMOACETAMIDE","683-57-8","NC(=O)CBr","NC(=O)CBr","NC(=O)CBr","NC(=O)CBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2629,1902,"ETHANE, 1,2-DIBROMO-1,2-DICHLORO-","683-68-1","ClC(Br)C(Cl)Br","ClC(Br)C(Cl)Br",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2630,1932,"ACETAMIDE, 2,2-DICHLORO-","683-72-7","NC(=O)C(Cl)Cl","NC(=O)C(Cl)Cl","NC(=O)C(Cl)Cl","NC(=O)C(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2631,1978,"1-NITROSO-1-METHYLUREA","684-93-5","CN(N=O)C(N)=O","CN(N=O)C(N)=O","CN(N=O)C(N)=O","CN(N=O)C(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2632,4166,"D-Glucose, 2-deoxy-2-[(ethoxycarbonyl)amino]-","686-14-6","CCOC(=O)NC(C=O)C(O)C(O)C(O)CO",null,"CCOC(O)=NC(C=O)C(O)C(O)C(O)CO","CCOC(O)=NC(C=O)C(O)C(O)C(O)CO",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[2633,2278,"1-BUTEN-3-YNE","689-97-4","C#CC=C","C#CC=C","C#CC=C","C#CC=C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2634,2768,"4-METHYL-1-PENTENE","691-37-2","C=CCC(C)C","C=CCC(C)C","C=CCC(C)C","C=CCC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2635,2709,"1-HEXYNE","693-02-7","C#CCCCC","C#CCCCC","C#CCCCC","C#CCCCC",4,0,0,"NO","NO","Mantain","High Reliability","2314, 2752, 4432"]
[2636,null,"diethylenediglycol,dinitrate","693-21-0",null,"O=[N+]([O-])OCCOCCO[N+](=O)[O-]",null,"O=[N+]([O-])OCCOCCO[N+](=O)[O-]",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2637,700,"Dodecanedioic acid","693-23-2","O=C(O)CCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2638,223,"2-DECANONE","693-54-9","CCCCCCCCC(C)=O","CCCCCCCCC(C)=O","CCCCCCCCC(C)=O","CCCCCCCCC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2639,2623,"PYRIDINE, 1-OXIDE","694-59-7","[O-][n+]1ccccc1","[O-][n+]1ccccc1","[O-][n+]1ccccc1","[O-][n+]1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2640,2978,"2-BROMOCHLOROBENZENE","694-80-4","Clc1c(cccc1)Br","Clc1c(cccc1)Br","Clc1c(cccc1)Br","Clc1c(cccc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2641,3109,"2(1H)-PYRIDINONE, 1-METHYL-","694-85-9","Cn1c(cccc1)=O","Cn1c(cccc1)=O","Cn1c(cccc1)=O","Cn1c(cccc1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2642,3049,"Benzene, iodyl-","696-33-3","O=I(=O)c1ccccc1","O=I(=O)c1ccccc1",null,"O=I(=O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2643,3678,"BENZENAMINE, N,3-DIMETHYL-","696-44-6","CNc1cc(ccc1)C","CNc1cc(ccc1)C","CNc1cc(ccc1)C","CNc1cc(ccc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2644,4100,"2,3,5-TRIMETHYLPHENOL","697-82-5","Cc1cc(c(c(c1)C)C)O","Cc1cc(c(c(c1)C)C)O","Cc1cc(c(c(c1)C)C)O","Cc1cc(c(c(c1)C)C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2645,4098,"3-ETHYL-5-METHYLPHENOL","698-71-5","CCc1cc(cc(c1)C)O","CCc1cc(cc(c1)C)O","CCc1cc(cc(c1)C)O","CCc1cc(cc(c1)C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2646,443,"PENTAMETHYLBENZENE","700-12-9","Cc1c(c(c(c(c1)C)C)C)C","Cc1c(c(c(c(c1)C)C)C)C","Cc1c(c(c(c(c1)C)C)C)C","Cc1c(c(c(c(c1)C)C)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2647,3538,"5-METHYL-2-NITROPHENOL","700-38-9","Cc1cc(c(cc1)[N+](=O)[O-])O","Cc1cc(c(cc1)[N+](=O)[O-])O","Cc1cc(c(cc1)[N+](=O)[O-])O","Cc1cc(c(cc1)[N+](=O)[O-])O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2648,3027,"4-Hydroxypteridine","700-47-0","Oc1c2c(ncn1)nccn2","O=c1c2c([nH]cn1)nccn2",null,"O=c1c2c([nH]cn1)nccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2649,3055,"2-Pteridinamine","700-81-2","Nc1nc2c(cn1)nccn2",null,"Nc1nc2c(cn1)nccn2","Nc1nc2c(cn1)nccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2650,2468,"OCTACHLOROCYCLOPENTENE","706-78-5","ClC=1C(C(C(C1Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl","ClC=1C(C(C(C1Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl","ClC=1C(C(C(C1Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl","ClC=1C(C(C(C1Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2651,3083,"1-METHYL URIC ACID","708-79-2","Cn1c(c2c([nH]c1=O)[nH]c(=O)[nH]2)=O","Cn1c(c2c([nH]c1=O)[nH]c(=O)[nH]2)=O",null,"Cn1c(c2c([nH]c1=O)[nH]c(=O)[nH]2)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2652,4071,"Phenylalanine, 2-hydroxy-","709-16-0","NC(Cc1c(cccc1)O)C(=O)O","NC(Cc1c(cccc1)O)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed, Checked on PubChem"]
[2653,null,"thiourea,3-(nitrophenyl)-","709-72-8","NC(=S)Nc1c(cccc1)[N+](=O)[O-]","NC(=S)Nc1cc(ccc1)[N+](=O)[O-]",null,"NC(=S)Nc1cc(ccc1)[N+](=O)[O-]",2,1,1,"NO","NO","Manual Check","Verify Name"]
[2654,4295,"PROPANIL","709-98-8","CCC(=O)Nc1cc(c(cc1)Cl)Cl","CCC(=O)Nc1cc(c(cc1)Cl)Cl","CCC(=O)Nc1cc(c(cc1)Cl)Cl","CCC(=O)Nc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2655,null,"1-ph-3,5-dime-4-nitrosopyrazole","715-99-1",null,"Cc1c(c(n(n1)-c2ccccc2)C)N=O",null,"Cc1c(c(n(n1)-c2ccccc2)C)N=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2656,null,"Hydrazinecarboxamide, 2-[3-[5-nitro-2-furanyl)-2","721-71-1",null,"NC(=O)NN=CC=Cc1oc(cc1)[N+](=O)[O-]",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[2657,34,"SULFAMETHOXAZOLE","723-46-6","Cc1onc(c1)NS(=O)(=O)c2ccc(cc2)N","Cc1onc(c1)NS(=O)(=O)c2ccc(cc2)N","Cc1onc(c1)NS(=O)(=O)c2ccc(cc2)N","Cc1onc(c1)NS(=O)(=O)c2ccc(cc2)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2658,null,"Benzenesulfonamide, 4-amino-N-(5-methyl-1,2,4-ox","723-47-7",{"$nulls":3},"Cc1onc(n1)NS(=O)(=O)c2ccc(cc2)N",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[2659,1268,"ANTHRACENE-9-CARBOXYLIC ACID","723-62-6","O=C(O)c1c2c(cc3c1cccc3)cccc2","O=C(O)c1c2c(cc3c1cccc3)cccc2","O=C(O)c1c2c(cc3c1cccc3)cccc2","O=C(O)c1c2c(cc3c1cccc3)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2660,397,"Sulfamoxole","729-99-7","Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C","Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C","Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C","Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2661,84,"TOLYFLUANIDE","731-27-1","Cc1ccc(cc1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C","Cc1ccc(cc1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C","Cc1ccc(cc1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C","Cc1ccc(cc1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2662,384,"PHOSMET","732-11-6","COP(=S)(OC)SCN1C(c2c(C1=O)cccc2)=O","COP(=S)(OC)SCN1C(c2c(C1=O)cccc2)=O","COP(=S)(OC)SCN1C(c2c(C1=O)cccc2)=O","COP(=S)(OC)SCN1C(c2c(C1=O)cccc2)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2663,1587,"2,4,6-TRI(TERT-BUTYL)PHENOL","732-26-3","CC(C)(C)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C","CC(C)(C)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C","CC(C)(C)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C","CC(C)(C)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2664,1187,"TRIMETHOPRIM","738-70-5","COc1c(c(cc(c1)Cc2c(nc(nc2)N)N)OC)OC","COc1c(c(cc(c1)Cc2c(nc(nc2)N)N)OC)OC","COc1c(c(cc(c1)Cc2c(nc(nc2)N)N)OC)OC","COc1c(c(cc(c1)Cc2c(nc(nc2)N)N)OC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2665,1224,"BENSULIDE","741-58-2","CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1","CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1","CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1","CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2666,1878,"Rolitetracycline","751-97-3","CN(C)C1C2C(C(C(C1=O)=C(O)NCN3CCCC3)=O)(O)C(=O)C=4C(C(c5c(C4O)c(O)ccc5)(C)O)C2","CN(C)C1C2C(C(C(C1=O)=C(O)NCN3CCCC3)=O)(O)C(=O)C=4C(C(c5c(C4O)c(O)ccc5)(C)O)C2","CN(C)C1C2C(C(C(=C1O)C(=O)NCN3CCCC3)=O)(O)C(O)=C4C(C(c5c(C4=O)c(O)ccc5)(C)O)C2","CN(C)C1C2C(C(C(=C1O)C(=O)NCN3CCCC3)=O)(O)C(O)=C4C(C(c5c(C4=O)c(O)ccc5)(C)O)C2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Differences in counterions"]
[2667,null,"DIMETHYLTIN DICHLORIDE","753-73-1","C[Sn](C)(Cl)Cl",null,"C[Sn](C)(Cl)Cl","C[Sn](C)(Cl)Cl",3,0,1,"NO","NO","Eliminate","-",null,"Unusual elements"]
[2668,2202,"Phosphonic acid, methyl-, dimethyl ester","756-79-6","COP(C)(=O)OC","COP(C)(=O)OC","COP(C)(=O)OC","COP(C)(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2669,740,"HEXAETHYL TETRAPHOSPHATE","757-58-4","CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC","CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2670,2164,"N-ETHYL-N-NITROSOUREA","759-73-9","CCN(N=O)C(N)=O","CCN(N=O)C(N)=O","CCN(N=O)C(N)=O","CCN(N=O)C(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2671,4190,"EPTAM (EPTC)","759-94-4",null,"CCCN(CCC)C(=O)SCC","CCCN(CCC)C(=O)SCC","CCCN(CCC)C(=O)SCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2672,2319,"3,4-DICHLORO-1-BUTENE","760-23-6","C=CC(Cl)CCl","C=CC(Cl)CCl","C=CC(Cl)CCl","C=CC(Cl)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2673,195,"Propanedioic acid, heptyl-","760-54-3","CCCCCCCC(C(=O)O)C(=O)O","CCCCCCCC(C(=O)O)C(=O)O",null,"CCCCCCCC(C(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2674,480,"OCTYLMALONIC ACID","760-55-4","CCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCC(C(=O)O)C(=O)O",null,"CCCCCCCCC(C(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2675,2524,"DL-Norvaline","760-78-1","CCCC(N)C(=O)O","CCCC(N)C(=O)O","CCCC(N)C(=O)O","CCCC(N)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1900, 3767"]
[2676,1954,"1-Chloro-2-fluoroethane","762-50-5","FCCCl","FCCCl","FCCCl","FCCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2677,null,"2-METHYL-1-PENTENE","763-29-1","C=C(C)CCC","C=C(C)CCC","C=C(C)CCCC","C=C(C)CCCC",2,2,0,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2678,3279,"ETHYL 3-ETHOXYPROPANOATE","763-69-9","CCOCCC(=O)OCC","CCOCCC(=O)OCC","CCOCCC(=O)OCC","CCOCCC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2679,3710,"2,5-DIMETHYL-2,4-HEXADIENE","764-13-6","CC(C)=CC=C(C)C","CC(C)=CC=C(C)C","CC(C)=CC=C(C)C","CC(C)=CC=C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2680,2320,"1,4-DICHLORO-2-BUTENE","764-41-0","ClCC=CCCl","ClCC=CCCl","ClCC=CCCl","ClCC=CCCl",4,0,0,"NO","NO","Mantain","High Reliability","1179, 2913","Stereochemistry removed"]
[2681,2078,"GLYCIDYLALDEHYDE","765-34-4","O=CC1OC1","O=CC1OC1","O=CC1OC1","O=CC1OC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2682,3511,"O-CHLOROANISOLE","766-51-8","COc1c(cccc1)Cl","COc1c(cccc1)Cl","COc1c(cccc1)Cl","COc1c(cccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2683,3153,"2-AMINO-4,6-DIMETHYLPYRIMIDINE","767-15-7","Cc1nc(nc(c1)C)N","Cc1nc(nc(c1)C)N","Cc1nc(nc(c1)C)N","Cc1nc(nc(c1)C)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2684,4160,"Quinoline, decahydro-","767-92-0","C1CC2C(CC1)NCCC2","C1CC2C(CC1)NCCC2","C1CC2C(CC1)NCCC2","C1CC2C(CC1)NCCC2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2685,4103,"1-PHENOXY-2-PROPANOL","770-35-4","CC(O)COc1ccccc1","CC(O)COc1ccccc1","CC(O)COc1ccccc1","CC(O)COc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2686,1121,"9,10-DIHYDROPHENANTHRENE","776-35-2","c1cc2c(cc1)-c3c(CC2)cccc3","c1cc2c(cc1)-c3c(CC2)cccc3","c1cc2c(cc1)-c3c(CC2)cccc3","c1cc2c(cc1)-c3c(CC2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2687,1276,"9-METHYLANTHRACENE","779-02-2","Cc1c2c(cc3c1cccc3)cccc2","Cc1c2c(cc3c1cccc3)cccc2","Cc1c2c(cc3c1cccc3)cccc2","Cc1c2c(cc3c1cccc3)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2688,1400,"9,10-DIMETHYLANTHRACENE","781-43-1","Cc1c2c(c(c3c1cccc3)C)cccc2","Cc1c2c(c(c3c1cccc3)C)cccc2","Cc1c2c(c(c3c1cccc3)C)cccc2","Cc1c2c(c(c3c1cccc3)C)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2689,444,"CARBOPHENTHION","786-19-6",null,"CCOP(=S)(OCC)SCSc1ccc(cc1)Cl","CCOP(=S)(OCC)SCSc1ccc(cc1)Cl","CCOP(=S)(OCC)SCSc1ccc(cc1)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2690,1125,"Benzoic acid, 2-benzoylhydrazide","787-84-8","O=C(NNC(=O)c1ccccc1)c2ccccc2","O=C(NNC(=O)c1ccccc1)c2ccccc2","O=C(NNC(=O)c1ccccc1)c2ccccc2","O=C(NNC(=O)c1ccccc1)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2691,1255,"O,P'-DDT","789-02-6","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)(Cl)Cl","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)(Cl)Cl","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)(Cl)Cl","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2692,null,"1-Butanone, 1-(4-fluorophenyl)-4-[4-(4-fluorophe","803-45-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2693,3338,"Phosphoric acid, diethyl propyl ester","814-22-2","CCCOP(=O)(OCC)OCC","CCCOP(=O)(OCC)OCC","CCCOP(=O)(OCC)OCC","CCCOP(=O)(OCC)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2694,723,"Tributylphosphine Oxide","814-29-9","CCCCP(=O)(CCCC)CCCC","CCCCP(=O)(CCCC)CCCC","CCCCP(=O)(CCCC)CCCC","CCCCP(=O)(CCCC)CCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2695,4152,"DIETHYL GLUTARATE","818-38-2","CCOC(=O)CCCC(=O)OCC","CCOC(=O)CCCC(=O)OCC","CCOC(=O)CCCC(=O)OCC","CCOC(=O)CCCC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2696,2678,"2-HYDROXYETHYL ACRYLATE","818-61-1","C=CC(=O)OCCO","C=CC(=O)OCCO","C=CC(=O)OCCO","C=CC(=O)OCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2697,4363,"Calcium Methionate","819-17-0","O=S(=O)(O)CS(=O)(=O)O","O=S(=O)(O)CS(=O)(=O)O","O=S(=O)(O)CS(=O)(=O)O","O=S(=O)(O)CS(=O)(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1924"]
[2698,2481,"4-PENTEN-1-OL","821-09-0","C=CCCCO","C=CCCCO","C=CCCCO","C=CCCCO",4,0,0,"NO","NO","Mantain","High Reliability","1182"]
[2699,3825,"4,4'-Oxydi-2-butanol","821-33-0","CC(O)CCOCCC(C)O","CC(O)CCOCCC(C)O","CC(O)CCOCCC(C)O","CC(O)CCOCCC(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2700,1226,"1,12-Dodecanedicarboxylic acid","821-38-5","O=C(O)CCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2701,4175,"2-NONANONE","821-55-6","CCCCCCCC(C)=O","CCCCCCCC(C)=O","CCCCCCCC(C)=O","CCCCCCCC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2702,2819,"1,3-DIOXOLANE, 2-(1-METHYLETHYL)-","822-83-3","CC(C)C1OCCO1","CC(C)C1OCCO1","CC(C)C1OCCO1","CC(C)C1OCCO1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2703,2639,"PYRIMIDINE, 2-(METHYLTHIO)-","823-09-6","CSc1ncccn1",null,"CSc1ncccn1","CSc1ncccn1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2704,null,"D-Glucaric acid, di-.gamma.-lactone","826-91-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2705,3732,"2,6-dimethyl-1,3-dioxan-4-olacetate","828-00-2","CC1OC(OC(C1)O)C","CC(=O)OC1OC(OC(C1)C)C","CC(=O)OC1OC(OC(C1)C)C","CC(=O)OC1OC(OC(C1)C)C",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[2706,1010,"2,3,6-TRIMETHYLNAPHTHALENE","829-26-5","Cc1cc2c(cc1)cc(C)c(C)c2","Cc1cc2c(cc1)cc(C)c(C)c2","Cc1cc2c(cc1)cc(C)c(C)c2","Cc1cc2c(cc1)cc(C)c(C)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2707,16,"CINNAMIC ACID, P-METHOXY-","830-09-1","COc1ccc(cc1)C=CC(=O)O","COc1ccc(cc1)C=CC(=O)O","COc1ccc(cc1)C=CC(=O)O","COc1ccc(cc1)C=CC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2708,null,"1h-purine-2,6-dione,3,7-dihydro-1,3,8-trimethyl","830-65-9",null,"Cc1[nH]c2c(n1)n(c(n(c2=O)C)=O)C",null,"Cc1[nH]c2c(n1)n(c(n(c2=O)C)=O)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2709,null,"1h-purine-2,6-dione,3,7-dihydro-1,3,7,8-tetrame","832-66-6",null,"Cc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",null,"Cc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2710,1278,"1-METHYLPHENANTHRENE","832-69-9","Cc1c2c(ccc1)c3c(cc2)cccc3","Cc1c2c(ccc1)c3c(cc2)cccc3","Cc1c2c(ccc1)c3c(cc2)cccc3","Cc1c2c(ccc1)c3c(cc2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2711,4163,"AMETRYNE","834-12-8","CCNc1nc(nc(n1)NC(C)C)SC","CCNc1nc(nc(n1)NC(C)C)SC","CCNc1nc(nc(n1)NC(C)C)SC","CCNc1nc(nc(n1)NC(C)C)SC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2712,1039,"L-TYROSINE, N-ACETYL-, ETHYL ESTER","840-97-1","CCOC(=O)C(Cc1ccc(cc1)O)NC(C)=O","CCOC(=O)C(Cc1ccc(cc1)O)NC(C)=O","CCOC(=O)C(Cc1ccc(cc1)O)N=C(C)O","CCOC(=O)C(Cc1ccc(cc1)O)N=C(C)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2713,488,"METHOPROPTRYNE","841-06-5","COCCCNc1nc(nc(n1)NC(C)C)SC","COCCCNc1nc(nc(n1)NC(C)C)SC","COCCCNc1nc(nc(n1)NC(C)C)SC","COCCCNc1nc(nc(n1)NC(C)C)SC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2714,null,"2,4-bis((3-methoxypropyl)amino)-6-(methylthio)-s","845-52-3",null,"COCCCNc1nc(nc(n1)NCCCOC)SC",null,"COCCCNc1nc(nc(n1)NCCCOC)SC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2715,1264,"LORAZEPAM","846-49-1","O=C1C(N=C(c2c(N1)ccc(Cl)c2)c3c(cccc3)Cl)O","O=C1C(N=C(c2c(N1)ccc(Cl)c2)c3c(cccc3)Cl)O","O=C1C(N=C(c2c(N1)ccc(Cl)c2)c3c(cccc3)Cl)O","O=C1C(N=C(c2c(N1)ccc(Cl)c2)c3c(cccc3)Cl)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2716,null,"androst-5-en-17-one,3-(acetyloxy),3-beta-","853-23-6",null,"CC(=O)OC1CC=2C(CC1)(C3C(CC2)C4C(C(CC4)=O)(C)CC3)C",null,"CC(=O)OC1CC=2C(CC1)(C3C(CC2)C4C(C(CC4)=O)(C)CC3)C",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[2717,1628,"Kebuzone","853-34-9","CC(=O)CCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O","CC(=O)CCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O","CC(=O)CCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O","CC(=O)CCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2718,null,"phosphonicacid,(trichloromethyl)-,diethylest","866-23-9",null,"CCOP(=O)(OCC)C(Cl)(Cl)Cl",null,"CCOP(=O)(OCC)C(Cl)(Cl)Cl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2719,3149,"Potassium Citrate","866-84-2","O=C(O)CC(O)(CC(=O)O)C(=O)O","O=C(O)CC(O)(CC(=O)O)C(=O)O",null,"O=C(O)CC(O)(CC(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","427"]
[2720,2730,"2-HYDROXYETHYL METHACRYLATE","868-77-9","C=C(C)C(=O)OCCO","C=C(C)C(=O)OCCO","C=C(C)C(=O)OCCO","C=C(C)C(=O)OCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2721,3182,"allylidenediacetate","869-29-4","C=CC(CC(=O)O)CC(=O)O","C=CC(OC(C)=O)OC(C)=O","C=CC(OC(C)=O)OC(C)=O","C=CC(OC(C)=O)OC(C)=O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[2722,2781,"Acetamide, N,N'-1,2-ethanediylbis-","871-78-3","CC(=O)NCCNC(C)=O","CC(=O)NCCNC(C)=O","CC(=O)NCCNC(C)=O","CC(=O)NCCNC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2723,215,"1-DECENE","872-05-9","C=CCCCCCCCC","C=CCCCCCCCC","C=CCCCCCCCC","C=CCCCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2724,2693,"N-METHYLPYRROLIDONE","872-50-4","CN1C(CCC1)=O","CN1C(CCC1)=O","CN1C(CCC1)=O","CN1C(CCC1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2725,3150,"2-ETHYLTHIOPHENE","872-55-9","CCc1sccc1","CCc1sccc1",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2726,3495,"Benzenemethanol, 4-bromo-","873-75-6","OCc1ccc(cc1)Br","OCc1ccc(cc1)Br","OCc1ccc(cc1)Br","OCc1ccc(cc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2727,3512,"P-CHLOROBENZYL ALCOHOL","873-76-7","OCc1ccc(cc1)Cl","OCc1ccc(cc1)Cl","OCc1ccc(cc1)Cl","OCc1ccc(cc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2728,3900,"Potassium Biphthalate","877-24-7","O=C(O)c1c(cccc1)C(=O)O","O=C(O)c1c(cccc1)C(=O)O","O=C(O)c1c(cccc1)C(=O)O","O=C(O)c1c(cccc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","626"]
[2729,3165,"2,3,4,5-TETRACHLORONITROBENZENE","879-39-0","O=[N+]([O-])c1c(c(c(c(c1)Cl)Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(c(c1)Cl)Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(c(c1)Cl)Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(c(c1)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2730,4135,"2,4,6-TRIETHOXY-S-TRIAZINE","884-43-5","CCOc1nc(nc(n1)OCC)OCC","CCOc1nc(nc(n1)OCC)OCC",null,"CCOc1nc(nc(n1)OCC)OCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2731,956,"4-PHENYL-2-NITROPHENOL","885-82-5","O=[N+]([O-])c1c(ccc(c1)-c2ccccc2)O","O=[N+]([O-])c1c(ccc(c1)-c2ccccc2)O",null,"O=[N+]([O-])c1c(ccc(c1)-c2ccccc2)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2732,209,"TERBUTRYN","886-50-0","CCNc1nc(nc(n1)NC(C)(C)C)SC","CCNc1nc(nc(n1)NC(C)(C)C)SC","CCNc1nc(nc(n1)NC(C)(C)C)SC","CCNc1nc(nc(n1)NC(C)(C)C)SC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2733,4068,"Tricaine","886-86-2","CCOC(=O)c1cc(ccc1)N","CCOC(=O)c1cc(ccc1)N",null,"CCOC(=O)c1cc(ccc1)N",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2734,1462,"3-Nitrofluoranthene","892-21-7","O=[N+]([O-])c1c2c3c(cc1)-c4c(-c3ccc2)cccc4","O=[N+]([O-])c1c2c3c(cc1)-c4c(-c3ccc2)cccc4","O=[N+]([O-])c1c2c3c(cc1)-c4c(-c3ccc2)cccc4","O=[N+]([O-])c1c2c3c(cc1)-c4c(-c3ccc2)cccc4",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2735,null,"FENTIN ACETATE","900-95-8",null,null,"CC(=O)O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3","CC(=O)O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3",2,0,2,"NO","NO","Eliminate","-",null,"Unusual elements"]
[2736,1158,"Diminazene Aceturate","908-54-3","N=C(N)c1ccc(cc1)N=NNc2ccc(cc2)C(=N)N","N=C(N)c1ccc(cc1)N=NNc2ccc(cc2)C(=N)N","N=C(N)c1ccc(cc1)N=NNc2ccc(cc2)C(=N)N","N=C(N)c1ccc(cc1)N=NNc2ccc(cc2)C(=N)N",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Organic counterion, Differences in counterions"]
[2737,1782,"Methacycline","914-00-1","C=C1C2C(=C(c3c1cccc3O)O)C(=O)C4(C(C(C(C(C4=O)=C(N)O)=O)N(C)C)C2O)O","C=C1C2C(=C(c3c1cccc3O)O)C(=O)C4(C(C(C(C(C4=O)=C(N)O)=O)N(C)C)C2O)O","C=C1C2C(C(c3c1cccc3O)=O)=C(O)C4(C(C(C(=C(C4=O)C(N)=O)O)N(C)C)C2O)O","C=C1C2C(C(c3c1cccc3O)=O)=C(O)C4(C(C(C(=C(C4=O)C(N)=O)O)N(C)C)C2O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2738,3306,"AMIDOTHION","919-76-6","COCCNC(=O)CSP(=S)(OC)OC","COCCNC(=O)CSP(=S)(OC)OC",null,"COCCNC(=O)CSP(=S)(OC)OC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2739,2921,"DEMETON-S-METHYL","919-86-8","CCSCCSP(=O)(OC)OC","CCSCCSP(=O)(OC)OC","CCSCCSP(=O)(OC)OC","CCSCCSP(=O)(OC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2740,3319,"ETHYL(TERT-AMYL) ETHER","919-94-8","CCOC(C)(C)CC","CCOC(C)(C)CC","CCOC(C)(C)CC","CCOC(C)(C)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2741,4156,"Hexanedioic acid, 2,3,3-trimethyl-","920-79-6","CC(C(=O)O)C(C)(C)CCC(=O)O",null,"CC(C(=O)O)C(C)(C)CCC(=O)O","CC(C(=O)O)C(C)(C)CCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2742,2299,"Bromosuccinic acid","923-06-8","O=C(O)CC(Br)C(=O)O","O=C(O)CC(Br)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2743,null,"Lactic acid, dimethylthiocarbamate, D-(-)-","923-18-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2744,3798,"N-NITROSODIBUTYLAMINE","924-16-3","CCCCN(CCCC)N=O","CCCCN(CCCC)N=O","CCCCN(CCCC)N=O","CCCCN(CCCC)N=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2745,2371,"N-(Hydroxymethyl)acrylamide","924-42-5","C=CC(=O)NCO","C=CC(=O)NCO","C=CC(=O)NCO","C=CC(=O)NCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2746,null,"Carbonic acid, trithio, diester with 2-mercaptop","924-57-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2747,null,"Lactic acid, O-ester with S-ethyl dithiocarbonat","924-62-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2748,217,"Butanamide, N,N'-1,2-ethanediylbis-","925-49-5","CCCC(=O)NCCNC(=O)CCC","CCCC(=O)NCCNC(=O)CCC","CCCC(=O)NCCNC(=O)CCC","CCCC(=O)NCCNC(=O)CCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2749,494,"6-UNDECANONE","927-49-1","CCCCCC(=O)CCCCC","CCCCCC(=O)CCCCC","CCCCCC(=O)CCCCC","CCCCCC(=O)CCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2750,2357,"ethanol,2-bromo-,acetate","927-68-4","OCCBr","CC(=O)OCCBr","CC(=O)OCCBr","CC(=O)OCCBr",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[2751,2458,"BUTYL NITRATE","928-45-0","CCCCO[N+](=O)[O-]","CCCCO[N+](=O)[O-]","CCCCO[N+](=O)[O-]","CCCCO[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2752,2709,"3-Hexyne","928-49-4","CCC#CCC","CCC#CCC","CCC#CCC","CCC#CCC",4,0,0,"NO","NO","Mantain","High Reliability","2314, 2635, 4432"]
[2753,2392,"N-NITROSOPYRROLIDINE","930-55-2","O=NN1CCCC1","O=NN1CCCC1","O=NN1CCCC1","O=NN1CCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2754,2779,"N-NITROSOHEXAMETHYLENEIMINE","932-83-2","O=NN1CCCCCC1","O=NN1CCCCCC1","O=NN1CCCCCC1","O=NN1CCCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2755,2957,"2,3,6-TRICHLOROPHENOL","933-75-5","Oc1c(c(ccc1Cl)Cl)Cl","Oc1c(c(ccc1Cl)Cl)Cl","Oc1c(c(ccc1Cl)Cl)Cl","Oc1c(c(ccc1Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2756,3081,"1H-Purine, 8-methyl-","934-33-8","Cc1nc2-c(n1)c[nH]cn2","Cc1[nH]c2c(n1)ncnc2","Cc1[nH]c2c(n1)ncnc2","Cc1[nH]c2c(n1)ncnc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2757,3744,"2-AZACYCLO-NONANONE","935-30-8","O=C1NCCCCCCC1","O=C1NCCCCCCC1",null,"O=C1NCCCCCCC1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2758,3533,"2,3-DIHYDRO-1,2-BENZISOTHIAZOLE-1,1-DIOXIDE","936-16-3","O=S1(c2c(CN1)cccc2)=O","O=S1(c2c(CN1)cccc2)=O",null,"O=S1(c2c(CN1)cccc2)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2759,3463,"Pteridine, 7-methyl-","936-40-3","Cc1nc2c(nc1)cncn2",null,"Cc1nc2c(nc1)cncn2","Cc1nc2c(nc1)cncn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2760,3621,"N-BENZYL-N-METHYLNITROSOAMINE","937-40-6","CN(Cc1ccccc1)N=O","CN(Cc1ccccc1)N=O",null,"CN(Cc1ccccc1)N=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2761,4225,"2H-1-Benzopyran-2-one, 4-bromo-","938-40-9","O=c1oc2c(c(c1)Br)cccc2",null,"O=c1oc2c(c(c1)Br)cccc2","O=c1oc2c(c(c1)Br)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2762,3361,"2,3,4,5-TETRACHLOROANISOLE","938-86-3","COc1c(c(c(c(c1)Cl)Cl)Cl)Cl","COc1c(c(c(c(c1)Cl)Cl)Cl)Cl","COc1c(c(c(c(c1)Cl)Cl)Cl)Cl","COc1c(c(c(c(c1)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2763,569,"2-ETHYLNAPHTHALENE","939-27-5","CCc1cc2c(cc1)cccc2","CCc1cc2c(cc1)cccc2","CCc1cc2c(cc1)cccc2","CCc1cc2c(cc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2764,4044,"P-METHYLPHENOXYACETIC ACID","940-64-7","Cc1ccc(cc1)OCC(=O)O","Cc1ccc(cc1)OCC(=O)O","Cc1ccc(cc1)OCC(=O)O","Cc1ccc(cc1)OCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2765,null,"p-methoxycinnamicacid(trans)","943-89-5",null,"COc1ccc(cc1)C=CC(=O)O",null,"COc1ccc(cc1)C=CC(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[2766,151,"FONOPHOS","944-22-9",null,"CCOP(=S)(CC)Sc1ccccc1","CCOP(=S)(CC)Sc1ccccc1","CCOP(=S)(CC)Sc1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2767,3879,"Benzene, 1,2,3,4-tetrachloro-5,6-dimethoxy-","944-61-6","COc1c(c(c(c(c1Cl)Cl)Cl)Cl)OC","COc1c(c(c(c(c1Cl)Cl)Cl)Cl)OC","COc1c(c(c(c(c1Cl)Cl)Cl)Cl)OC","COc1c(c(c(c(c1Cl)Cl)Cl)Cl)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2768,3252,"CYOLANE","947-02-4","CCOP(=O)(N=C1SCCS1)OCC","CCOP(=O)(N=C1SCCS1)OCC","CCOP(=O)(N=C1SCCS1)OCC","CCOP(=O)(N=C1SCCS1)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2769,703,"AZACYCLOTRIDECAN-2-ONE","947-04-6","O=C1NCCCCCCCCCCC1","O=C1NCCCCCCCCCCC1","O=C1NCCCCCCCCCCC1","O=C1NCCCCCCCCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2770,null,"phosphoramidicacid,(4-methyl-1,3-dithiolan-2-y","950-10-7",null,"CCOP(=O)(N=C1SC(CS1)C)OCC",null,"CCOP(=O)(N=C1SC(CS1)C)OCC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2771,2754,"METHIDATHION","950-37-8","COc1sc(n(n1)CSP(=S)(OC)OC)=O","COc1sc(n(n1)CSP(=S)(OC)OC)=O","COc1sc(n(n1)CSP(=S)(OC)OC)=O","COc1sc(n(n1)CSP(=S)(OC)OC)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2772,985,"Proflavine hydrochloride","952-23-8","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2",4,0,0,"NO","NO","Mantain","High Reliability","688","Organic counterion, Differences in counterions"]
[2773,null,"porphazinamide","952-54-5",null,"O=C(NCN1CCOCC1)c2nccnc2",null,"O=C(NCN1CCOCC1)c2nccnc2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2774,4087,"CARBOPHENOTHION-METHYL","953-17-3",null,"COP(=S)(OC)SCSc1ccc(cc1)Cl","COP(=S)(OC)SCSc1ccc(cc1)Cl","COP(=S)(OC)SCSc1ccc(cc1)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2775,1420,"DIPHENAMID","957-51-7","CN(C)C(=O)C(c1ccccc1)c2ccccc2","CN(C)C(=O)C(c1ccccc1)c2ccccc2","CN(C)C(=O)C(c1ccccc1)c2ccccc2","CN(C)C(=O)C(c1ccccc1)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2776,4231,"A-ENDOSULFAN","959-98-8",null,"O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability","1280, 4558","Stereochemistry removed"]
[2777,328,"STIROFOS","961-11-5","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability","4315","Stereochemistry removed"]
[2778,951,"2,4-DINITRO-N-PHENYLBENZENAMINE","961-68-2","O=[N+]([O-])c1cc(c(cc1)Nc2ccccc2)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)Nc2ccccc2)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)Nc2ccccc2)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)Nc2ccccc2)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2779,null,"sulfaethoxypyr","963-14-4",null,"CCOc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",null,"CCOc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2780,null,"9,10-Anthracenedicarboxylic acid, 9,10-dihydro-,","963-85-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2781,null,"9,10-Anthracenedicarboxylic acid, 9,10-dihydro-,","963-86-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2782,1350,"DIMELIN","968-81-0","CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2","CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2","CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2","CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2783,1834,"Medrogestone","977-79-7","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2784,2037,"NORBORMIDE","991-42-4","O=C1C2C(C(N1)=O)C3C(C2C=C3C(O)(c4ccccc4)c5ncccc5)=C(c6ccccc6)c7ncccc7","O=C1C2C(C(N1)=O)C3C(C2C=C3C(O)(c4ccccc4)c5ncccc5)=C(c6ccccc6)c7ncccc7","O=C1C2C(C(N1)=O)C3C(C2C=C3C(O)(c4ccccc4)c5ncccc5)=C(c6ccccc6)c7ncccc7","O=C1C2C(C(N1)=O)C3C(C2C=C3C(O)(c4ccccc4)c5ncccc5)=C(c6ccccc6)c7ncccc7",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Differences in counterions"]
[2785,4369,"METHYLPHOSPHONIC ACID","993-13-5","CP(=O)(O)O","CP(=O)(O)O","CP(=O)(O)O","CP(=O)(O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2786,2578,"N,N-Dimethylisopropylamine","996-35-0","CC(C)N(C)C","CC(C)N(C)C","CC(C)N(C)C","CC(C)N(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2787,2376,"Acetic acid, (nitrooxy)-, ethyl ester","999-17-7","CCOC(=O)CO[N+](=O)[O-]",null,"CCOC(=O)CO[N+](=O)[O-]","CCOC(=O)CO[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2788,3237,"Glycine, N-(ethoxycarbonyl)-, ethyl ester","999-30-4","CCOC(=O)CNC(=O)OCC","CCOC(=O)CNC(=O)OCC","CCOC(=O)CNC(=O)OCC",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2789,2727,"2-HYDROXYPROPYL ACRYLATE","999-61-1","C=CC(=O)OCC(C)O","C=CC(=O)OCC(C)O","C=CC(=O)OCC(C)O","C=CC(=O)OCC(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2790,1994,"HYDROXYMETHYL UREA","1000-82-4","NC(=O)NCO","NC(=O)NCO","NC(=O)NCO","NC(=O)NCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2791,2535,"1-PENTYL NITRATE","1002-16-0","CCCCCO[N+](=O)[O-]","CCCCCO[N+](=O)[O-]","CCCCCO[N+](=O)[O-]","CCCCCO[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2792,2807,"2,5-Dimethyltetrahydrofuran","1003-38-9","CC1OC(CC1)C","CC1OC(CC1)C","CC1OC(CC1)C","CC1OC(CC1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2793,3107,"4-METHYL-N-OXIDEPYRIDINE","1003-67-4","Cc1cc[n+](cc1)[O-]","Cc1cc[n+](cc1)[O-]",null,"Cc1cc[n+](cc1)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2794,3108,"3-METHYL-N-OXIDEPYRIDINE","1003-73-2","CC1=CC=C[NH+2]([O-])[CH-]1","CC1=CC=C[NH+2]([O-])[CH-]1",null,"Cc1c[n+](ccc1)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2795,2659,"DESISOPROPYLATRAZINE","1007-28-9",null,"CCNc1nc(nc(n1)N)Cl","CCNc1nc(nc(n1)N)Cl","CCNc1nc(nc(n1)N)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2796,211,"Azacycloundecan-2-one","1009-89-8","O=C1NCCCCCCCCC1","O=C1NCCCCCCCCC1","O=C1NCCCCCCCCC1","O=C1NCCCCCCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2797,3741,"DESMETRYNE","1014-69-3","CNc1nc(nc(n1)NC(C)C)SC","CNc1nc(nc(n1)NC(C)C)SC","CNc1nc(nc(n1)NC(C)C)SC","CNc1nc(nc(n1)NC(C)C)SC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2798,3740,"SIMETRYN","1014-70-6","CCNc1nc(nc(n1)NCC)SC","CCNc1nc(nc(n1)NCC)SC","CCNc1nc(nc(n1)NCC)SC","CCNc1nc(nc(n1)NCC)SC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2799,null,"1h-purine-2,6-dione,7-butyl-3,7-dihydro-1,3-dim","1021-65-4",null,"CCCCn1c2c(nc1)n(c(n(c2=O)C)=O)C",null,"CCCCn1c2c(nc1)n(c(n(c2=O)C)=O)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2800,null,"4h-3,1-benzoxazin-4-one,2-phenyl","1022-46-4",null,"O=c1c2c(nc(o1)-c3ccccc3)cccc2",null,"O=c1c2c(nc(o1)-c3ccccc3)cccc2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2801,262,"HEPTACHLOR EPOXIDE","1024-57-3","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C(O4)C3Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C(O4)C3Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C(O4)C3Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C(O4)C3Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2802,4232,"ENDOSULFAN SULFATE","1031-07-8","O=S1(OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)=O","O=S1(OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)=O","O=S1(OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)=O","O=S1(OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2803,null,"phosphonicdiamide,p-(5-amino-3-phenyl-1h-1,2,4","1031-47-6",null,"CN(C)P(=O)(N(C)C)n1c(nc(n1)-c2ccccc2)N",null,"CN(C)P(=O)(N(C)C)n1c(nc(n1)-c2ccccc2)N",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2804,3892,"Glycine, N-(2,4,6-trinitrophenyl)-","1032-44-6","O=C(O)CNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"O=C(O)CNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","O=C(O)CNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2805,1361,"OCTYL GALLATE","1034-01-1","CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O","CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O","CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O","CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2806,null,"1-butanone,1-(4-fluorophenyl)-4-[4-hydroxy-4-(4","1050-79-9",null,"Cc1ccc(cc1)C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O",null,"Cc1ccc(cc1)C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2807,null,"DIMETHYLSILANEDIOL","1066-42-8","C[Si](C)(O)O","C[Si](C)(O)O","C[Si](C)(O)O","C[Si](C)(O)O",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[2808,null,"TRIETHYLCHLOROLEAD","1067-14-7","CC[Pb](Cl)(CC)CC",null,null,"CC[Pb](Cl)(CC)CC",2,0,2,"NO","NO","Eliminate","-",null,"Unusual elements"]
[2809,null,"DI-n-BUTYL TIN DIACETATE","1067-33-0","CCCC[Sn+2]CCCC",null,"CCCC[Sn](CCCC)(OC(C)=O)OC(C)=O","CCCC[Sn](CCCC)(OC(C)=O)OC(C)=O",2,1,1,"NO","YES","Eliminate","-",null,"Unusual elements, Missing/ambiguous"]
[2810,3331,"D-glycero-D-gulo-Heptitol","1069-00-7","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","1868, 3371","Stereochemistry removed, Checked on PubChem"]
[2811,2186,"GLYPHOSPHATE","1071-83-6","O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","4692","Checked on ChemID, Checked on PubChem"]
[2812,1921,"1,3,4-THIADIAZOLIDINE-2,5-DITHIONE","1072-71-5","S=c1sc([nH][nH]1)=S","S=c1sc([nH][nH]1)=S","Sc1sc(nn1)S","Sc1sc(nn1)S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2813,2980,"1-bromo-2-fluorobenzene","1072-85-1","Fc1c(cccc1)Br","Fc1c(cccc1)Br","Fc1c(cccc1)Br","Fc1c(cccc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2814,2979,"M-BROMOFLUOROBENZENE","1073-06-9","Fc1cc(ccc1)Br","Fc1cc(ccc1)Br","Fc1cc(ccc1)Br","Fc1cc(ccc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2815,4273,"1H-Pyrazol-4-ol, 1-phenyl-","1076-60-4","Oc1cn(nc1)-c2ccccc2",null,"Oc1cn(nc1)-c2ccccc2","Oc1cn(nc1)-c2ccccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2816,664,"N-HEXYLBENZENE","1077-16-3","CCCCCCc1ccccc1","CCCCCCc1ccccc1","CCCCCCc1ccccc1","CCCCCCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2817,1060,"1-PHENYLHEPTANE","1078-71-3","CCCCCCCc1ccccc1","CCCCCCCc1ccccc1","CCCCCCCc1ccccc1","CCCCCCCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2818,3477,"Benzoic-d5 acid","1079-02-3",null,"[2H]c1c(c(c(c(c1[2H])[2H])C(=O)O)[2H])[2H]",null,null,1,0,3,"NO","NO","Mantain","Medium Reliability","239, 2021","Checked on ChemID, Checked on PubChem"]
[2819,4076,"Glycine, N-[(4-methylphenyl)sulfonyl]-","1080-44-0","Cc1ccc(cc1)S(=O)(=O)NCC(=O)O","Cc1ccc(cc1)S(=O)(=O)NCC(=O)O","Cc1ccc(cc1)S(=O)(=O)NCC(=O)O","Cc1ccc(cc1)S(=O)(=O)NCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2820,1047,"HEXYL P-HYDROXYBENZOATE","1083-27-8","CCCCCCOC(=O)c1ccc(cc1)O","CCCCCCOC(=O)c1ccc(cc1)O","CCCCCCOC(=O)c1ccc(cc1)O","CCCCCCOC(=O)c1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2821,1205,"HEPTYL P-HYDROXYBENZOATE","1085-12-7","CCCCCCCOC(=O)c1ccc(cc1)O","CCCCCCCOC(=O)c1ccc(cc1)O","CCCCCCCOC(=O)c1ccc(cc1)O","CCCCCCCOC(=O)c1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2822,4054,"DICHLOFLUANID","1085-98-9","CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1","CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1","CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1","CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2823,1873,"Prednisolone 21-trimethylacetate","1107-99-9","CC(C)(C)C(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O","CC(C)(C)C(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O","CC(C)(C)C(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O","CC(C)(C)C(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2824,2552,"DIMETHOXON","1113-02-6","CNC(=O)CSP(=O)(OC)OC","CNC(=O)CSP(=O)(OC)OC","CNC(=O)CSP(=O)(OC)OC","CNC(=O)CSP(=O)(OC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2825,233,"PEBULATE","1114-71-2","CCCCN(CC)C(=O)SCCC","CCCCN(CC)C(=O)SCCC","CCCCN(CC)C(=O)SCCC","CCCCN(CC)C(=O)SCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2826,3236,"DL-Methionine, N-acetyl-","1115-47-5","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","238, 2918","Stereochemistry removed"]
[2827,null,"Butanoic acid, 2-[(2-amino-1-oxobutyl)amino]-, [","1115-51-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2828,null,"Methyl-succinic acid diamide","1115-61-3","CC(CC(N)=O)C(N)=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[2829,null,"Heptanoic acid, 2-amino-, (.+-.)-","1115-90-8",null,"CCCCCC(N)C(=O)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[2830,2221,"N-NITROSODIETHANOLAMINE","1116-54-7","O=NN(CCO)CCO","O=NN(CCO)CCO","O=NN(CCO)CCO","O=NN(CCO)CCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2831,1858,"TRI(N-OCTYL)AMINE","1116-76-3",null,"CCCCCCCCN(CCCCCCCC)CCCCCCCC","CCCCCCCCN(CCCCCCCC)CCCCCCCC","CCCCCCCCN(CCCCCCCC)CCCCCCCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2832,2546,"Urea, (1,1-dimethylethyl)-","1118-12-3","CC(C)(C)NC(N)=O","CC(C)(C)NC(N)=O","CC(C)(C)NC(N)=O","CC(C)(C)NC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2833,null,"1,3-Disiloxanediol, 1,1,3,3-tetramethyl-","1118-15-6","C[Si](C)(O)O[Si](C)(C)O","C[Si](C)(O)O[Si](C)(C)O","C[Si](C)(O)O[Si](C)(C)O","C[Si](C)(O)O[Si](C)(C)O",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[2834,3213,"PENTANEDIOIC ACID, DIMETHYL ESTER","1119-40-0","COC(=O)CCCC(=O)OC","COC(=O)CCCC(=O)OC","COC(=O)CCCC(=O)OC","COC(=O)CCCC(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2835,2742,"4,5-Dithia-octandioic acid","1119-62-6","O=C(O)CCSSCCC(=O)O","O=C(O)CCSSCCC(=O)O",null,"O=C(O)CCSSCCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2836,3193,"2-Heptyne","1119-65-9","CC#CCCCC","CC#CCCCC","CC#CCCCC","CC#CCCCC",4,0,0,"NO","NO","Mantain","High Reliability","2557, 3324"]
[2837,505,"N-UNDECANE","1120-21-4","CCCCCCCCCCC","CCCCCCCCCCC","CCCCCCCCCCC","CCCCCCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2838,3676,"2,4,5-TRIMETHYLPYRIDINE","1122-39-0","Cc1ncc(c(c1)C)C","Cc1ncc(c(c1)C)C","Cc1ncc(c(c1)C)C","Cc1ncc(c(c1)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2839,3170,"4-DIMETHYLAMINOPYRIDINE","1122-58-3","CN(C)c1ccncc1","CN(C)c1ccncc1",null,"CN(C)c1ccncc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2840,3670,"PYRIDINE, 2-ETHYL-6-METHYL-","1122-69-6","CCc1nc(ccc1)C","CCc1nc(ccc1)C","CCc1nc(ccc1)C","CCc1nc(ccc1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2841,3211,"1-Hydroxy-cyclohexanecarboxylic acid","1123-28-0","O=C(O)C1(CCCCC1)O","O=C(O)C1(CCCCC1)O",null,"O=C(O)C1(CCCCC1)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2842,3984,"Phenol, 4-chloro-2,6-dimethyl-","1123-63-3","Cc1c(c(cc(c1)Cl)C)O","Cc1c(c(cc(c1)Cl)C)O","Cc1c(c(cc(c1)Cl)C)O","Cc1c(c(cc(c1)Cl)C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2843,70,"2-NAPHTHALENOL, 5,6,7,8-TETRAHYDRO-","1125-78-6","Oc1cc2c(cc1)CCCC2","Oc1cc2c(cc1)CCCC2",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2844,2964,"Pteridine, 6-chloro-","1125-82-2","Clc1nc2c(nc1)ncnc2",null,"Clc1nc2c(nc1)ncnc2","Clc1nc2c(nc1)ncnc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2845,2963,"Pteridine, 7-chloro-","1125-84-4","Clc1nc2c(nc1)cncn2",null,"Clc1nc2c(nc1)cncn2","Clc1nc2c(nc1)cncn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2846,4030,"1,2-Benzenediol, 4-(2-propenyl)-","1126-61-0","C=CCc1cc(c(cc1)O)O","C=CCc1cc(c(cc1)O)O",null,"C=CCc1cc(c(cc1)O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","5179"]
[2847,568,"1-ETHYLNAPHTHALENE","1127-76-0","CCc1c2c(ccc1)cccc2","CCc1c2c(ccc1)cccc2","CCc1c2c(ccc1)cccc2","CCc1c2c(ccc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2848,null,"n-methyl-m-tolylcarbamate","1129-41-5","Cc1cc(ccc1)N(C)C(=O)O","CNC(=O)Oc1cc(ccc1)C",null,"CN=C(O)Oc1cc(ccc1)C",2,1,1,"NO","NO","Manual Check","Verify Name"]
[2849,29,"1H-Pyrazol-5-amine, 3-methyl-1-phenyl-","1131-18-6","Cc1nn(c(c1)N)-c2ccccc2","Cc1nn(c(c1)N)-c2ccccc2","Cc1nn(c(c1)N)-c2ccccc2","Cc1nn(c(c1)N)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2850,651,"P-CYCLOHEXYLPHENOL","1131-60-8","Oc1ccc(cc1)C2CCCCC2","Oc1ccc(cc1)C2CCCCC2","Oc1ccc(cc1)C2CCCCC2","Oc1ccc(cc1)C2CCCCC2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2851,491,"CYCLOATE","1134-23-2","CCSC(=O)N(CC)C1CCCCC1","CCSC(=O)N(CC)C1CCCCC1","CCSC(=O)N(CC)C1CCCCC1",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2852,null,"DIPHENYLTIN DICHLORIDE","1135-99-5","Cl[Sn](Cl)(c1ccccc1)c2ccccc2",null,"Cl[Sn](Cl)(c1ccccc1)c2ccccc2","Cl[Sn](Cl)(c1ccccc1)c2ccccc2",3,0,1,"NO","NO","Eliminate","-",null,"Unusual elements"]
[2853,449,"1-Butyl Theobromine","1143-30-2","CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O","CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",null,"CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2854,1207,"TOLAZAMIDE","1156-19-0","Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2","Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2","Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2","Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2855,3599,"SULFATOLAMIDE","1161-88-2","NC(=S)NS(=O)(=O)c1ccc(cc1)N","NC(=S)NS(=O)(=O)c1ccc(cc1)N","NC(=S)NS(=O)(=O)c1ccc(cc1)N","NC(=S)NS(=O)(=O)c1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability","1969","Organic counterion"]
[2856,1843,"DEXAMETHASONE-21-ACETATE","1177-87-3","CC(=O)OCC(=O)C1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2857,2032,"PERUVOSIDE","1182-87-2","COC1C(C(OC(C1O)C)OC2CC3C(CC2)(C4C(CC3)C5(C(CC4)(C)C(C=6COC(C6)=O)CC5)O)C=O)O","COC1C(C(OC(C1O)C)OC2CC3C(CC2)(C4C(CC3)C5(C(CC4)(C)C(C=6COC(C6)=O)CC5)O)C=O)O","COC1C(C(OC(C1O)C)OC2CC3C(CC2)(C4C(CC3)C5(C(CC4)(C)C(C=6COC(C6)=O)CC5)O)C=O)O","COC1C(C(OC(C1O)C)OC2CC3C(CC2)(C4C(CC3)C5(C(CC4)(C)C(C=6COC(C6)=O)CC5)O)C=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2858,2882,"2,2-DIMETHYL-1-BUTANOL","1185-33-7","CCC(C)(C)CO","CCC(C)(C)CO","CCC(C)(C)CO","CCC(C)(C)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2859,3216,"Butanedioic acid, 2-ethyl-3-methyl-","1186-78-3","CCC(C(=O)O)C(C)C(=O)O",null,"CCC(C(=O)O)C(C)C(=O)O","CCC(C(=O)O)C(C)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2860,null,"Butanedioic acid, 2,3-diethyl-","1186-79-4","CCC(C(=O)O)C(CC)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[2861,2377,"3-hydroxy-aspartic acid","1186-90-9","NC(C(=O)O)C(O)C(=O)O","NC(C(=O)O)C(O)C(=O)O","NC(C(=O)O)C(O)C(=O)O","NC(C(=O)O)C(O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2862,4194,"UREA, TETRAETHYL-","1187-03-7","CCN(CC)C(=O)N(CC)CC","CCN(CC)C(=O)N(CC)CC","CCN(CC)C(=O)N(CC)CC","CCN(CC)C(=O)N(CC)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2863,203,"Glycine, N-(N-L-leucylglycyl)-","1187-50-4","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[2864,3749,"L-Leucine, N-acetyl-","1188-21-2","CC(=O)NC(CC(C)C)C(=O)O","CC(=O)NC(CC(C)C)C(=O)O","CC(=O)NC(CC(C)C)C(=O)O","CC(=O)NC(CC(C)C)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","4237","Stereochemistry removed"]
[2865,2822,"1,3-DIOXOLANE, 2,2,4-TRIMETHYL-","1193-11-9","CC1OC(OC1)(C)C","CC1OC(OC1)(C)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2866,2291,"4,6-Dihydroxypryimidine","1193-24-4",null,"O=c1[nH]cnc(c1)O","Oc1ncnc(c1)O","Oc1ncnc(c1)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2867,3343,"2,6-DICHLOROBENZONITRILE","1194-65-6","N#Cc1c(cccc1Cl)Cl","N#Cc1c(cccc1Cl)Cl","N#Cc1c(cccc1Cl)Cl","N#Cc1c(cccc1Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2868,3479,"2,5-Dihydroxybenzaldehyde","1194-98-5","O=Cc1c(ccc(c1)O)O","O=Cc1c(ccc(c1)O)O","O=Cc1c(ccc(c1)O)O","O=Cc1c(ccc(c1)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2869,3745,"Tranexamic acid","1197-18-8","NCC1CCC(CC1)C(=O)O","NCC1CCC(CC1)C(=O)O","NCC1CCC(CC1)C(=O)O","NCC1CCC(CC1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2870,362,"2,4-DIMETHYLQUINOLINE","1198-37-4","Cc1nc2c(c(c1)C)cccc2","Cc1nc2c(c(c1)C)cccc2","Cc1nc2c(c(c1)C)cccc2","Cc1nc2c(c(c1)C)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2871,2939,"TETRACHLORO-1,2-BENZENEDIOL","1198-55-6","Oc1c(c(c(c(c1O)Cl)Cl)Cl)Cl","Oc1c(c(c(c(c1O)Cl)Cl)Cl)Cl","Oc1c(c(c(c(c1O)Cl)Cl)Cl)Cl","Oc1c(c(c(c(c1O)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2872,null,"n,n-dime-n-g-phenylpropylamine","1199-99-1",null,"CN(C)CCCc1ccccc1",null,"CN(C)CCCc1ccccc1",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2873,44,"DL-Alanine, N-benzoyl-","1205-02-3","CC(NC(=O)c1ccccc1)C(=O)O","CC(NC(=O)c1ccccc1)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2874,null,"methyln-benzoglycine","1205-08-9",null,"COC(=O)CNC(=O)c1ccccc1",null,"COC(=O)CNC(=O)c1ccccc1",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2875,994,"10H-phenothiazine, 10-methyl-","1207-72-3","CN1c2c(Sc3c1cccc3)cccc2","CN1c2c(Sc3c1cccc3)cccc2","CN1c2c(Sc3c1cccc3)cccc2","CN1c2c(Sc3c1cccc3)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2876,561,"1H-PURIN-6-AMINE, N-(PHENYLMETHYL)-","1214-39-7","c1ccc(cc1)CNc2c3-c(nc[nH]2)ncn3","c1ccc(cc1)CNc2c3c(ncn2)nc[nH]3","c1ccc(cc1)CNc2c3-c(nc[nH]2)ncn3","c1ccc(cc1)CNc2c3-c(nc[nH]2)ncn3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2877,null,"benzoicacid,4-hydroxy,octylester","1219-38-1",null,"CCCCCCCCOC(=O)c1ccc(cc1)O",null,"CCCCCCCCOC(=O)c1ccc(cc1)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2878,1578,"Galaxolide","1222-05-5","CC1c2c(COC1)cc3C(C(C(c3c2)(C)C)C)(C)C","CC1c2c(COC1)cc3C(C(C(c3c2)(C)C)C)(C)C","CC1c2c(COC1)cc3C(C(C(c3c2)(C)C)C)(C)C","CC1c2c(COC1)cc3C(C(C(c3c2)(C)C)C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2879,1731,"Homidium bromide","1239-45-8","CC[n+]1c2c(c3c(c1-c4ccccc4)cc(N)cc3)ccc(N)c2","CC[n+]1c2c(c3c(c1-c4ccccc4)cc(N)cc3)ccc(N)c2","CC[n+]1c2c(c3c(c1-c4ccccc4)cc(N)cc3)ccc(N)c2","CC[n+]1c2c(c3c(c1-c4ccccc4)cc(N)cc3)ccc(N)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2880,1712,"2-ETHYLHEXYL DIPHENYL PHOSPHATE","1241-94-7","CCCCC(CC)COP(=O)(Oc1ccccc1)Oc2ccccc2","CCCCC(CC)COP(=O)(Oc1ccccc1)Oc2ccccc2","CCCCC(CC)COP(=O)(Oc1ccccc1)Oc2ccccc2","CCCCC(CC)COP(=O)(Oc1ccccc1)Oc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2881,null,"3h-pyrazol-3-one,4,4'-methylenebis[1,2-dihydro-","1251-85-0","O=c1c(c[nH][nH]1)Cc2c([nH][nH]c2)=O","Cc1n(n(c(c1Cc2c(n(n(c2C)C)-c3ccccc3)=O)=O)-c4ccccc4)C",null,"Cc1n(n(c(c1Cc2c(n(n(c2C)C)-c3ccccc3)=O)=O)-c4ccccc4)C",2,1,1,"NO","NO","Manual Check","Verify Name"]
[2882,1778,"CARMINIC ACID","1260-17-9","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O",4,0,0,"NO","NO","Mantain","High Reliability","2896","Stereochemistry removed"]
[2883,null,"DICHLOROETHANES","1300-21-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2884,null,"XYLIDINE","1300-73-8","Cc1c(c(ccc1)N)C","Cc1c(c(ccc1)N)C","*C","*C",2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Organic counterion"]
[2885,null,"DIIODOSALICYLIC ACID","1321-04-6","O=C(O)c1c(c(ccc1)I)OI","O=C(O)c1c(c(cc(c1)I)I)O",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2886,3178,"TETRAHYDROBENZALDEHYDE","1321-16-0","O=CC1CCCC=C1","O=CC1CCC=CC1",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[2887,null,"TRICHLORONAPHTHALENES","1321-65-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2888,null,"METHYL NAPHTHALENES (mixture of isomers)","1321-94-4",null,"Cc1c2c(ccc1)cccc2",null,"*C",1,0,3,"NO","NO","Eliminate","-",null,"Mixture"]
[2889,null,"XYLENES (Isomer Mixture)","1330-20-7",null,"Cc1cc(ccc1)C",null,null,1,0,3,"NO","NO","Eliminate","-",null,"Mixture"]
[2890,null,"TRICRESYL PHOSPHATE","1330-78-5","Cc1ccc(cc1)OP(=O)(Oc2ccc(cc2)C)Oc3ccc(cc3)C","Cc1ccc(cc1)OP(=O)(Oc2ccc(cc2)C)Oc3ccc(cc3)C",null,null,2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[2891,null,"METHYLCYCLOHEXANONE","1331-22-2","CC1C(CCCC1)=O","CC1CCC(CC1)=O",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2892,null,"TETRAMETHYL DECYNEDIOL","1333-17-1","CCCCCC(C)C(C)(C)C#CC(C)(O)O","CC(C)C(C)C(C)C(O)C#CC(C)C(C)O","CC(C)CC(C)(O)C#CC(C)(O)CC(C)C",null,0,3,1,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2893,2641,"Angelica Lactone","1333-38-6","CC1OC(C=C1)=O","CC1OC(C=C1)=O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","2297","Checked on ChemID, Checked on PubChem"]
[2894,3958,"ANISIC ACID","1335-08-6","COc1ccc(cc1)C(=O)O","COc1ccc(cc1)C(=O)O","COc1ccc(cc1)C(=O)O",null,3,0,1,"NO","NO","Mantain","Medium Reliability","869"]
[2895,null,"PCBS","1336-36-3","O=S(=O)(Oc1ccc(cc1)Cl)c2ccccc2","Clc1c(c(cc(c1)-c2cc(c(c(c2)Cl)Cl)Cl)Cl)Cl","*c1c(*)c(*)c(-c2c(*)c(*)c(*)c(*)c2*)c(*)c1*","*c1c(*)c(*)c(-c2c(*)c(*)c(*)c(*)c2*)c(*)c1*",0,2,2,"YES","NO","Eliminate","-",null,"Stereochemistry removed, Organic counterion, Missing/ambiguous"]
[2896,1778,"CARMINE","1390-65-4","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","2882","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[2897,null,"Nystatin","1400-61-9","CC1C(C(C(OC(CC(CC(CC(CCC(C(CC(CC(C(C(CC(C=CC=CC=CC=CCCC=CC=C1)OC2C(C(C(C(O2)C)O)N)O)O)C(=O)O)O)=O)O)O)O)O)O)=O)C)C)O","CC1C(C(C(OC(CC(CC(CC(CCC(C(CC2(OC(CC(C=CC=CC=CC=CCCC=CC=C1)OC3C(C(C(C(O3)C)O)N)O)C(C(C2)O)C(=O)O)O)O)O)O)O)O)=O)C)C)O",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Stereochemistry removed, Missing/ambiguous"]
[2898,1739,"ALOIN","1415-73-2","O=C1c2c(C(c3c1c(O)ccc3)C4C(C(C(C(O4)CO)O)O)O)cc(CO)cc2O","O=C1c2c(C(c3c1c(O)ccc3)C4C(C(C(C(O4)CO)O)O)O)cc(CO)cc2O",null,"O=C1c2c(C(c3c1c(O)ccc3)C4C(C(C(C(O4)CO)O)O)O)cc(CO)cc2O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[2899,1086,"NICLOSAMIDE ETHANOLAMINE SALT","1420-04-8","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O",4,0,0,"NO","NO","Mantain","High Reliability","28","Organic counterion"]
[2900,1823,"TRIFENMORPH","1420-06-0","c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCOCC4","c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCOCC4","c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCOCC4","c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCOCC4",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2901,61,"Dinoterb","1420-07-1","CC(C)(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","CC(C)(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","CC(C)(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","CC(C)(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2902,950,"4-(4-NITROPHENYLAZO)PHENOL","1435-60-5","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)O","O=C1C=CC(C=C1)=NNc2ccc(cc2)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)O","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2903,null,"PHOSPHONIC ACID, METHYL-, DIISOPROPYL ESTER","1445-75-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Organic counterion, Missing/ambiguous"]
[2904,3072,"2-PYRIDINECARBOXAMIDE","1452-77-3","NC(=O)c1ncccc1","NC(=O)c1ncccc1","NC(=O)c1ncccc1","NC(=O)c1ncccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2905,1532,"HEPTADECYL ALCOHOL","1454-85-9","CCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2906,2782,"2,6-DIMETHYL-N-NITROSOMORPHOLINE","1456-28-6","CC1OC(CN(C1)N=O)C","CC1OC(CN(C1)N=O)C","CC1OC(CN(C1)N=O)C","CC1OC(CN(C1)N=O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2907,19,"DIMETHYL ISOPHTHALATE","1459-93-4","COC(=O)c1cc(ccc1)C(=O)OC","COC(=O)c1cc(ccc1)C(=O)OC","COC(=O)c1cc(ccc1)C(=O)OC","COC(=O)c1cc(ccc1)C(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2908,null,"TRIBUTYLCHLOROSTANNANE","1461-22-9","CCCC[Sn](Cl)(CCCC)CCCC",null,"CCCC[Sn](Cl)(CCCC)CCCC","CCCC[Sn](Cl)(CCCC)CCCC",3,0,1,"NO","NO","Eliminate","-",null,"Unusual elements"]
[2909,3674,"Pyridine, 2,3,6-trimethyl-","1462-84-6","Cc1nc(c(cc1)C)C","Cc1nc(c(cc1)C)C","Cc1nc(c(cc1)C)C","Cc1nc(c(cc1)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2910,657,"BETA-D-GLUCOPYRANOSIDE, PHENYL","1464-44-4","OCC1C(C(C(C(O1)Oc2ccccc2)O)O)O","OCC1C(C(C(C(O1)Oc2ccccc2)O)O)O","OCC1C(C(C(C(O1)Oc2ccccc2)O)O)O","OCC1C(C(C(C(O1)Oc2ccccc2)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2911,2336,"diepoxybutane","1464-53-5","CCC12C(O1)O2","C1C(O1)C2OC2","C1C(O1)C2OC2","C1C(O1)C2OC2",3,1,0,"NO","NO","Mantain","High Reliability","1692, 2183","Name verified in PubChem"]
[2912,4026,"5-INDANOL","1470-94-6","Oc1cc2c(cc1)CCC2","Oc1cc2c(cc1)CCC2","Oc1cc2c(cc1)CCC2","Oc1cc2c(cc1)CCC2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2913,2320,"1,4-DICHLORO-2-BUTENE(CIS)","1476-11-5",null,"ClCC=CCCl","ClCC=CCCl","ClCC=CCCl",3,0,1,"NO","NO","Mantain","Medium Reliability","1179, 2680","Stereochemistry removed"]
[2914,null,"piperidine,3-ethyl-,","1484-80-6",null,"CCC1NCCCC1",null,"CCC1NCCCC1",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[2915,224,"CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-","1490-04-6","CC1CC(C(CC1)C(C)C)O","CC1CC(C(CC1)C(C)C)O","CC1CC(C(CC1)C(C)C)O","CC1CC(C(CC1)C(C)C)O",4,0,0,"NO","NO","Mantain","High Reliability","640, 3131"]
[2916,675,"CYCLOHEXANONE, 2-(1-CYCLOHEXEN-1-YL)-","1502-22-3","O=C1C(CCCC1)C=2CCCCC2","O=C1C(CCCC1)C=2CCCCC2","O=C1C(CCCC1)C=2CCCCC2","O=C1C(CCCC1)C=2CCCCC2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2917,null,"2-(acetyloxy)-4-bromo-benzoicacid","1503-53-3","CC(=O)Oc1c(ccc(c1)Br)C(=O)O","CC(=O)Oc1c(cc(cc1)Br)C(=O)O",null,"CC(=O)Oc1c(cc(cc1)Br)C(=O)O",2,1,1,"NO","NO","Manual Check","Verify Name"]
[2918,3236,"D-Methionine, N-acetyl-","1509-92-8","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","238, 2826","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[2919,3646,"1-PHENYLETHANOL","1517-69-7","CC(O)c1ccccc1","CC(O)c1ccccc1","CC(O)c1ccccc1","CC(O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability","827","Stereochemistry removed"]
[2920,null,"TRIMETHYL LEAD CHLORIDE","1520-78-1","C[Pb](C)(C)Cl",null,"C[Pb+](C)C","C[Pb+](C)C",2,1,1,"NO","YES","Eliminate","-",null,"Unusual elements, Missing/ambiguous"]
[2921,3747,"N,N-DIETHYL SUCCINAMIC ACID","1522-00-5","CCN(CC)C(=O)CCC(=O)O","CCN(CC)C(=O)CCC(=O)O",null,"CCN(CC)C(=O)CCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2922,629,"CARBOFURAN","1563-66-2","CNC(=O)Oc1c2c(ccc1)CC(O2)(C)C","CNC(=O)Oc1c2c(ccc1)CC(O2)(C)C","CNC(=O)Oc1c2c(ccc1)CC(O2)(C)C","CNC(=O)Oc1c2c(ccc1)CC(O2)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2923,null,"2-propenoicacid,2-methyl-,(1-methylethylidene","1565-94-2",null,"C=C(C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(cc2)OCC(O)COC(=O)C(=C)C",null,"C=C(C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(cc2)OCC(O)COC(=O)C(=C)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2924,3625,"Urea, (4-methoxyphenyl)-","1566-42-3","COc1ccc(cc1)NC(N)=O","COc1ccc(cc1)NC(N)=O","COc1ccc(cc1)NC(N)=O","COc1ccc(cc1)NC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2925,3546,"4-METHOXY-2-NITROPHENOL","1568-70-3","COc1cc(c(cc1)O)[N+](=O)[O-]","COc1cc(c(cc1)O)[N+](=O)[O-]","COc1cc(c(cc1)O)[N+](=O)[O-]","COc1cc(c(cc1)O)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2926,2894,"1-PROPOXY-2-PROPANOL","1569-01-3","CCCOCC(C)O","CCCOCC(C)O","CCCOCC(C)O","CCCOCC(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2927,2484,"3-PENTEN-2-OL","1569-50-2","CC=CC(C)O","CC=CC(C)O","CC=CC(C)O","CC=CC(C)O",4,0,0,"NO","NO","Mantain","High Reliability","1055","Stereochemistry removed"]
[2928,3507,"2-METHYL-4-CHLOROPHENOL","1570-64-5","Cc1c(ccc(c1)Cl)O","Cc1c(ccc(c1)Cl)O","Cc1c(ccc(c1)Cl)O","Cc1c(ccc(c1)Cl)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2929,3439,"4,6-DICHLORO-O-CRESOL","1570-65-6","Cc1c(c(cc(c1)Cl)Cl)O","Cc1c(c(cc(c1)Cl)Cl)O","Cc1c(c(cc(c1)Cl)Cl)O","Cc1c(c(cc(c1)Cl)Cl)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2930,3122,"PHENYLPHOSPHONIC ACID","1571-33-1","O=P(O)(O)c1ccccc1","O=P(O)(O)c1ccccc1","O=P(O)(O)c1ccccc1","O=P(O)(O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2931,3558,"BENZAMIDE, 3-(AMINOSULFONYL)-","1576-42-7","NC(=O)c1cc(ccc1)S(N)(=O)=O",null,"NC(=O)c1cc(ccc1)S(N)(=O)=O","NC(=O)c1cc(ccc1)S(N)(=O)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2932,2048,"2-Propenoic acid, 3,3-dibromo-","1578-21-8","O=C(O)C=C(Br)Br",null,"O=C(O)C=C(Br)Br","O=C(O)C=C(Br)Br",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2933,null,"2,3-Dibromo-acrylic acid","1578-72-9","O=C(O)C(Br)=CBr",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[2934,1026,"TRIFLURALIN","1582-09-8","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2935,701,"Malic acid dibutyl ester","1587-18-4","CCCCOC(=O)CC(O)C(=O)OCCCC","CCCCOC(=O)CC(O)C(=O)OCCCC",null,"CCCCOC(=O)CC(O)C(=O)OCCCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2936,2222,"Urea, N,N''-ethylidenebis-","1589-36-2","CC(NC(N)=O)NC(N)=O",null,"CC(NC(=N)O)NC(=N)O","CC(NC(=N)O)NC(=N)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2937,3230,"Hydrazinecarboxamide, 2-cyclohexylidene-","1589-61-3","NC(=O)NN=C1CCCCC1","NC(=O)NN=C1CCCCC1","NC(=O)NN=C1CCCCC1","NC(=O)NN=C1CCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2938,1134,"2-Naphthalenebutanoic acid, .gamma.-oxo-","1590-22-3","O=C(O)CCC(=O)c1cc2c(cc1)cccc2","O=C(O)CCC(=O)c1cc2c(cc1)cccc2",null,"O=C(O)CCC(=O)c1cc2c(cc1)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2939,2786,"DAMINOZIDE","1596-84-5","CN(C)NC(=O)CCC(=O)O","CN(C)NC(=O)CCC(=O)O","CN(C)NC(=O)CCC(=O)O","CN(C)NC(=O)CCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2940,null,"MERCURIC ACETATE","1600-27-7",null,"[Hg+2]","[Hg+2]","[Hg+2]",3,0,1,"NO","NO","Eliminate","-",null,"Unusual elements, Inorganic"]
[2941,2686,"Pentrinitrol","1607-17-6","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2942,4162,"ATRATONE","1610-17-9","CCNc1nc(nc(n1)NC(C)C)OC","CCNc1nc(nc(n1)NC(C)C)OC","CCNc1nc(nc(n1)NC(C)C)OC","CCNc1nc(nc(n1)NC(C)C)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2943,206,"PROMETON","1610-18-0","COc1nc(nc(n1)NC(C)C)NC(C)C","COc1nc(nc(n1)NC(C)C)NC(C)C","COc1nc(nc(n1)NC(C)C)NC(C)C","COc1nc(nc(n1)NC(C)C)NC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2944,2613,"2,4-Pentadienenitrile","1615-70-9","C=CC=CC#N","C=CC=CC#N","C=CC=CC#N","C=CC=CC#N",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2945,1267,"CLONAZEPAM","1622-61-3","O=C1Nc2c(C(=NC1)c3c(cccc3)Cl)cc([N+](=O)[O-])cc2","O=C1Nc2c(C(=NC1)c3c(cccc3)Cl)cc([N+](=O)[O-])cc2","O=C1Nc2c(C(=NC1)c3c(cccc3)Cl)cc([N+](=O)[O-])cc2","O=C1Nc2c(C(=NC1)c3c(cccc3)Cl)cc([N+](=O)[O-])cc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2946,2539,"Nereistoxin","1631-58-9","CN(C)C1CSSC1","CN(C)C1CSSC1","CN(C)C1CSSC1","CN(C)C1CSSC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2947,2566,"METHYL T-BUTYL ETHER","1634-04-4","COC(C)(C)C","COC(C)(C)C","COC(C)(C)C","COC(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2948,213,"MALAOXON","1634-78-2","CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC","CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC","CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC","CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2949,3332,"1-HEPTANETHIOL","1639-09-4","CCCCCCCS","CCCCCCCS","CCCCCCCS","CCCCCCCS",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2950,3249,"ALDICARB SULFOXIDE","1646-87-3","CNC(=O)ON=CC(C)(C)S(C)=O","CNC(=O)ON=CC(C)(C)S(C)=O","CNC(=O)ON=CC(C)(C)S(C)=O","CNC(=O)ON=CC(C)(C)S(C)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2951,3251,"ALDICARB SULFONE","1646-88-4","CNC(=O)ON=CC(C)(C)S(C)(=O)=O","CNC(=O)ON=CC(C)(C)S(C)(=O)=O","CNC(=O)ON=CC(C)(C)S(C)(=O)=O","CNC(=O)ON=CC(C)(C)S(C)(=O)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2952,1908,"1,2-DICHLORO-1,1-DIFLUOROETHANE","1649-08-7","FC(F)(Cl)CCl","FC(F)(Cl)CCl","FC(F)(Cl)CCl","FC(F)(Cl)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2953,506,"2-UNDECANOL","1653-30-1","CCCCCCCCCC(C)O","CCCCCCCCCC(C)O","CCCCCCCCCC(C)O","CCCCCCCCCC(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2954,3816,"1-HEPTANOL, 6-METHYL-","1653-40-3","CC(C)CCCCCO","CC(C)CCCCCO","CC(C)CCCCCO","CC(C)CCCCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2955,1415,"1,10-Phenanthroline, 3,4,7,8-tetramethyl-","1660-93-1","Cc1c(c2c(nc1)c3c(cc2)c(C)c(C)cn3)C","Cc1c(c2c(nc1)c3c(cc2)c(C)c(C)cn3)C","Cc1c(c2c(nc1)c3c(cc2)c(C)c(C)cn3)C","Cc1c(c2c(nc1)c3c(cc2)c(C)c(C)cn3)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2956,1636,"DOXEPIN","1668-19-5","CN(C)CCC=C1c2c(OCc3c1cccc3)cccc2","CN(C)CCC=C1c2c(OCc3c1cccc3)cccc2","CN(C)CCC=C1c2c(OCc3c1cccc3)cccc2","CN(C)CCC=C1c2c(OCc3c1cccc3)cccc2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Differences in counterions"]
[2957,3753,"ETHYLCYCLOHEXANE","1678-91-7","CCC1CCCCC1","CCC1CCCCC1","CCC1CCCCC1","CCC1CCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2958,167,"alpha-Pinene Oxide","1686-14-2","CC1(C2C3(C(CC1C2)O3)C)C","CC1(C2C3(C(CC1C2)O3)C)C","CC1(C2C3(C(CC1C2)O3)C)C","CC1(C2C3(C(CC1C2)O3)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2959,13,"1(3H)ISOBENZOFURANONE-3,3-DIMETHYL","1689-09-4","CC1(c2c(C(O1)=O)cccc2)C","CC1(c2c(C(O1)=O)cccc2)C",null,"CC1(c2c(C(O1)=O)cccc2)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2960,540,"P-PHENYLAZOPHENOL","1689-82-3","O=C1C=CC(C=C1)=NNc2ccccc2","O=C1C=CC(C=C1)=NNc2ccccc2","Oc1ccc(cc1)N=Nc2ccccc2","Oc1ccc(cc1)N=Nc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2961,3348,"IOXYNIL","1689-83-4","N#Cc1cc(c(c(c1)I)O)I","N#Cc1cc(c(c(c1)I)O)I","N#Cc1cc(c(c(c1)I)O)I","N#Cc1cc(c(c(c1)I)O)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2962,3341,"BROMOXYNIL","1689-84-5","N#Cc1cc(c(c(c1)Br)O)Br","N#Cc1cc(c(c(c1)Br)O)Br","N#Cc1cc(c(c(c1)Br)O)Br","N#Cc1cc(c(c(c1)Br)O)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2963,1322,"BROMOXYNIL OCTANOATE","1689-99-2","CCCCCCCC(=O)Oc1c(cc(cc1Br)C#N)Br","CCCCCCCC(=O)Oc1c(cc(cc1Br)C#N)Br","CCCCCCCC(=O)Oc1c(cc(cc1Br)C#N)Br","CCCCCCCC(=O)Oc1c(cc(cc1Br)C#N)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2964,272,"2-Phenyl-4,5-dichloro-3-pyridazinone","1698-53-9","O=c1n(ncc(c1Cl)Cl)-c2ccccc2","O=c1n(ncc(c1Cl)Cl)-c2ccccc2","O=c1n(ncc(c1Cl)Cl)-c2ccccc2","O=c1n(ncc(c1Cl)Cl)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2965,302,"CHLORIDAZON","1698-60-8","Nc1c(c(n(nc1)-c2ccccc2)=O)Cl","Nc1c(c(n(nc1)-c2ccccc2)=O)Cl","Nc1c(c(n(nc1)-c2ccccc2)=O)Cl","Nc1c(c(n(nc1)-c2ccccc2)=O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2966,2948,"3,6-DICHLOROPICOLINIC ACID","1702-17-6","O=C(O)c1c(ccc(n1)Cl)Cl","O=C(O)c1c(ccc(n1)Cl)Cl","O=C(O)c1c(ccc(n1)Cl)Cl","O=C(O)c1c(ccc(n1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2967,null,"Butane-1,2,3,4-tetracarboxylic acid, racemic","1703-58-8",null,"O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[2968,1605,"6-METHYLCHRYSENE","1705-85-7","Cc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2","Cc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2","Cc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2","Cc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2969,null,"4-Hydroxy-butyraldehyde-<2,4-dinitro-phenylhydra","1708-33-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[2970,2176,"ISOPROPYL NITRATE","1712-64-7","CC(C)O[N+](=O)[O-]","CC(C)O[N+](=O)[O-]","CC(C)O[N+](=O)[O-]","CC(C)O[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2971,1931,"1,1-DICHLOROFLUOROETHANE","1717-00-6","CC(F)(Cl)Cl","CC(F)(Cl)Cl","CC(F)(Cl)Cl","CC(F)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2972,1118,"1-METHYLFLUORENE","1730-37-6","Cc1c2c(ccc1)-c3c(C2)cccc3","Cc1c2c(ccc1)-c3c(C2)cccc3","Cc1c2c(ccc1)-c3c(C2)cccc3","Cc1c2c(ccc1)-c3c(C2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2973,968,"10H-Phenothiazine, 2-chloro-7-methoxy-","1730-44-5","COc1cc2c(cc1)Nc3c(S2)ccc(Cl)c3","COc1cc2c(cc1)Nc3c(S2)ccc(Cl)c3","COc1cc2c(cc1)Nc3c(S2)ccc(Cl)c3","COc1cc2c(cc1)Nc3c(S2)ccc(Cl)c3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2974,226,"METHYL NONANOATE","1731-84-6","CCCCCCCCC(=O)OC","CCCCCCCCC(=O)OC","CCCCCCCCC(=O)OC","CCCCCCCCC(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2975,1413,"1,2,3,6,7,8-Hexahydropyrene","1732-13-4","c1c2c3c4c(c1)CCCc4ccc3CCC2","c1c2c3c4c(c1)CCCc4ccc3CCC2","c1c2c3c4c(c1)CCCc4ccc3CCC2","c1c2c3c4c(c1)CCCc4ccc3CCC2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2976,1715,"Dehydroabietic acid","1740-19-8","CC(C)c1cc2c(cc1)C3(C(CC2)C(C)(C(=O)O)CCC3)C","CC(C)c1cc2c(cc1)C3(C(CC2)C(C)(C(=O)O)CCC3)C","CC(C)c1cc2c(cc1)C3(C(CC2)C(C)(C(=O)O)CCC3)C","CC(C)c1cc2c(cc1)C3(C(CC2)C(C)(C(=O)O)CCC3)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2977,null,"[1,2,4,5]tetrazino[1,2-a][1,2,4,5]tetrazine,oct","1743-13-1",null,"C1N2N(CNN1)CNNC2",null,"C1N2N(CNN1)CNNC2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2978,767,"2,3,7,8-TETRACHLORODIBENZO-P-DIOXIN","1746-01-6","Clc1c(cc2c(c1)Oc3c(O2)cc(Cl)c(Cl)c3)Cl","Clc1c(cc2c(c1)Oc3c(O2)cc(Cl)c(Cl)c3)Cl","Clc1c(cc2c(c1)Oc3c(O2)cc(Cl)c(Cl)c3)Cl","Clc1c(cc2c(c1)Oc3c(O2)cc(Cl)c(Cl)c3)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2979,4058,"MONOLINURON","1746-81-2","CON(C)C(=O)Nc1ccc(cc1)Cl","CON(C)C(=O)Nc1ccc(cc1)Cl","CON(C)C(=O)Nc1ccc(cc1)Cl","CON(C)C(=O)Nc1ccc(cc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2980,539,"NICOTINANILIDE","1752-96-1","O=C(Nc1ccccc1)c2cnccc2","O=C(Nc1ccccc1)c2cnccc2","O=C(Nc1ccccc1)c2cnccc2","O=C(Nc1ccccc1)c2cnccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2981,3054,"1,2,3-Benzothiadiazol-5-amine","1753-29-3","Nc1cc2c(cc1)snn2",null,"Nc1cc2c(cc1)snn2","Nc1cc2c(cc1)snn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2982,2441,"l-alanine,n-(aminoiminomethyl)-","1758-74-3","CC(NC=NN)C(=O)O","CC(N=C(N)N)C(=O)O","CC(NC(=N)N)C(=O)O","CC(NC(=N)N)C(=O)O",3,1,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Name verified in PubChem"]
[2983,3380,"Benzaldehyde, 5-bromo-2-hydroxy-","1761-61-1","O=Cc1c(ccc(c1)Br)O","O=Cc1c(ccc(c1)Br)O","O=Cc1c(ccc(c1)Br)O","O=Cc1c(ccc(c1)Br)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2984,4382,"THIOCYANIC ACID, AMMONIUM SALT","1762-95-4","N#CS","N#CS","N#CS","N#CS",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2985,3443,"BENZENEMETHANOL, 2,4-DICHLORO-","1777-82-8","OCc1c(cc(cc1)Cl)Cl","OCc1c(cc(cc1)Cl)Cl","OCc1c(cc(cc1)Cl)Cl","OCc1c(cc(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2986,null,"Phenylphosphinic acid","1779-48-2","O=P(O)c1ccccc1","O=[P+](O)c1ccccc1","O=P(O)c1ccccc1","O=P(O)c1ccccc1",3,1,0,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[2987,4339,"Methane, chloronitro-","1794-84-9","O=[N+]([O-])CCl","O=[N+]([O-])CCl","O=[N+]([O-])CCl","O=[N+]([O-])CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2988,2125,"Propanal, 2-(hydroxyimino)-, oxime","1804-15-5","CC(C=NO)=NO","CC(=CN=O)NO","CC(C=NO)=NO","CC(C=NO)=NO",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[2989,3442,"3,4-DICHLOROBENZYL ALCOHOL","1805-32-9","OCc1cc(c(cc1)Cl)Cl","OCc1cc(c(cc1)Cl)Cl","OCc1cc(c(cc1)Cl)Cl","OCc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2990,null,"DIBUTYL PHOSPHITE","1809-19-4","CCCCOP(O)OCCCC","CCCCO[P+](=O)OCCCC","CCCCOP(=O)OCCCC","CCCCOP(=O)OCCCC",3,1,0,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[2991,182,"G 34698","1824-09-5","COCCCNc1nc(nc(n1)Cl)NC(C)C","COCCCNc1nc(nc(n1)Cl)NC(C)C",null,"COCCCNc1nc(nc(n1)Cl)NC(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2992,267,"1,5-DICHLORONAPHTHALENE","1825-30-5","Clc1c2c(ccc1)c(Cl)ccc2","Clc1c2c(ccc1)c(Cl)ccc2","Clc1c2c(ccc1)c(Cl)ccc2","Clc1c2c(ccc1)c(Cl)ccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2993,268,"1,4-DICHLORONAPHTHALENE","1825-31-6","Clc1c2c(c(cc1)Cl)cccc2","Clc1c2c(c(cc1)Cl)cccc2","Clc1c2c(c(cc1)Cl)cccc2","Clc1c2c(c(cc1)Cl)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2994,3399,"Benzoic acid, 3-chloro-2-hydroxy-","1829-32-9","O=C(O)c1c(c(ccc1)Cl)O","O=C(O)c1c(c(ccc1)Cl)O","O=C(O)c1c(c(ccc1)Cl)O",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[2995,null,"2-[(6-chloro-3-pyridazinyl)thio]-n,n-diethylacet","1830-32-6",null,"CCN(CC)C(=O)CSc1nnc(cc1)Cl",null,"CCN(CC)C(=O)CSc1nnc(cc1)Cl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[2996,863,"NITROFEN","1836-75-5","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)Cl)Cl","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)Cl)Cl","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)Cl)Cl","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2997,832,"CHLORNITROFEN","1836-77-7","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2Cl)Cl)Cl","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2Cl)Cl)Cl","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2Cl)Cl)Cl","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2998,3812,"4-Heptanol, 3-methyl-","1838-73-9","CCCC(O)C(C)CC","CCCC(O)C(C)CC","CCCC(O)C(C)CC","CCCC(O)C(C)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[2999,1886,"Fluspirilene","1841-19-6","O=C1C2(N(CN1)c3ccccc3)CCN(CC2)CCCC(c4ccc(cc4)F)c5ccc(cc5)F","O=C1C2(N(CN1)c3ccccc3)CCN(CC2)CCCC(c4ccc(cc4)F)c5ccc(cc5)F","O=C1C2(N(CN1)c3ccccc3)CCN(CC2)CCCC(c4ccc(cc4)F)c5ccc(cc5)F","O=C1C2(N(CN1)c3ccccc3)CCN(CC2)CCCC(c4ccc(cc4)F)c5ccc(cc5)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3000,null,"2h-1-benzopyran-3-carboxylicacid,2-oxo-,ethyl","1846-76-0",null,"CCOC(=O)c1c(oc2c(c1)cccc2)=O",null,"CCOC(=O)c1c(oc2c(c1)cccc2)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3001,483,"Undecanedioic Acid","1852-04-6","O=C(O)CCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3002,273,"DIMETHYL TETRACHLOROTEREPHTHALATE","1861-32-1","COC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)OC)Cl)Cl","COC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)OC)Cl)Cl","COC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)OC)Cl)Cl","COC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)OC)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3003,1027,"BENEFIN","1861-40-1","CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3004,23,"TRITAC","1861-44-5","CC(O)COCc1c(c(ccc1Cl)Cl)Cl","CC(O)COCc1c(c(ccc1Cl)Cl)Cl","CC(O)COCc1c(c(ccc1Cl)Cl)Cl","CC(O)COCc1c(c(ccc1Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3005,1025,"KETAMINE","1867-66-9","CNC1(C(CCCC1)=O)c2c(cccc2)Cl","CNC1(C(CCCC1)=O)c2c(cccc2)Cl","CNC1(C(CCCC1)=O)c2c(cccc2)Cl","CNC1(C(CCCC1)=O)c2c(cccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[3006,1309,"Phenol, 4-chloro-3,5-dimethyl-2-(phenylmethyl)-","1867-85-2","Cc1c(c(c(c(c1)O)Cc2ccccc2)C)Cl",null,"Cc1c(c(c(c(c1)O)Cc2ccccc2)C)Cl","Cc1c(c(c(c(c1)O)Cc2ccccc2)C)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3007,2787,"Ethanediamide, N,N'-bis(2-hydroxyethyl)-","1871-89-2","O=C(NCCO)C(=O)NCCO","O=C(NCCO)C(=O)NCCO",null,"O=C(NCCO)C(=O)NCCO",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3008,429,"PSICOFURANINE","1874-54-0","Nc1c2c(ncn1)n(cn2)C3(C(C(C(O3)CO)O)O)CO","Nc1c2c(ncn1)n(cn2)C3(C(C(C(O3)CO)O)O)CO","Nc1c2c(ncn1)n(cn2)C3(C(C(C(O3)CO)O)O)CO","Nc1c2c(ncn1)n(cn2)C3(C(C(C(O3)CO)O)O)CO",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3009,4045,"o-methylphenoxyaceticacid","1878-49-5","COC(=O)COc1ccccc1","Cc1c(cccc1)OCC(=O)O","Cc1c(cccc1)OCC(=O)O","Cc1c(cccc1)OCC(=O)O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[3010,null,"phenoxyaceticacid,4-cyclohexyl","1878-56-4",null,"O=C(O)COc1ccc(cc1)C2CCCCC2",null,"O=C(O)COc1ccc(cc1)C2CCCCC2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3011,3922,"o-nitrophenoxyaceticacid","1878-87-1","O=C(COc1ccccc1)O[N+](=O)[O-]","O=C(O)COc1c(cccc1)[N+](=O)[O-]","O=C(O)COc1c(cccc1)[N+](=O)[O-]","O=C(O)COc1c(cccc1)[N+](=O)[O-]",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[3012,3821,"DI-TERT-BUTYLSULFONE","1886-75-5","CC(C)(C)S(=O)(=O)C(C)(C)C","CC(C)(C)S(=O)(=O)C(C)(C)C",null,"CC(C)(C)S(=O)(=O)C(C)(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3013,2044,"PERCHLOROPROPYLENE","1888-71-7","ClC(Cl)=C(Cl)C(Cl)(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3014,3616,"CHLOROTHALONIL","1897-45-6","N#Cc1c(c(c(c(c1Cl)Cl)Cl)C#N)Cl","N#Cc1c(c(c(c(c1Cl)Cl)Cl)C#N)Cl","N#Cc1c(c(c(c(c1Cl)Cl)Cl)C#N)Cl","N#Cc1c(c(c(c(c1Cl)Cl)Cl)C#N)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3015,2586,"2-Furancarboxaldehyde, 5-bromo-","1899-24-7","O=Cc1oc(cc1)Br","O=Cc1oc(cc1)Br","O=Cc1oc(cc1)Br","O=Cc1oc(cc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3016,3609,"M-METHYLBENZENESULFONAMIDE","1899-94-1","Cc1cc(ccc1)S(N)(=O)=O","Cc1cc(ccc1)S(N)(=O)=O",null,"Cc1cc(ccc1)S(N)(=O)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3017,null,"Quinazoline, 3,4-dihydro-","1904-64-9","C=1NCc2c(N1)cccc2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3018,607,"Paraquat dichloride","1910-42-5","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","C[n+]1ccc(cc1)-c2cc[n+](cc2)C",4,0,0,"NO","NO","Mantain","High Reliability","3522"]
[3019,3712,"ATRAZINE","1912-24-9","CCNc1nc(nc(n1)Cl)NC(C)C","CCNc1nc(nc(n1)Cl)NC(C)C","CCNc1nc(nc(n1)Cl)NC(C)C",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3020,181,"IPAZINE","1912-25-0","CCN(CC)c1nc(nc(n1)Cl)NC(C)C","CCN(CC)c1nc(nc(n1)Cl)NC(C)C","CCN(CC)c1nc(nc(n1)Cl)NC(C)C","CCN(CC)c1nc(nc(n1)Cl)NC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3021,4141,"TRIETAZINE","1912-26-1","CCNc1nc(nc(n1)Cl)N(CC)CC","CCNc1nc(nc(n1)Cl)N(CC)CC","CCNc1nc(nc(n1)Cl)N(CC)CC","CCNc1nc(nc(n1)Cl)N(CC)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3022,3090,"2-Furancarboxylic acid, 5-methyl-","1917-15-3","Cc1oc(cc1)C(=O)O","Cc1oc(cc1)C(=O)O","Cc1oc(cc1)C(=O)O","Cc1oc(cc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3023,3575,"2-Furancarboxaldehyde, 5-(methoxymethyl)-","1917-64-2","COCc1oc(cc1)C=O","COCc1oc(cc1)C=O","COCc1oc(cc1)C=O","COCc1oc(cc1)C=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3024,3874,"DICAMBA","1918-00-9","COc1c(c(ccc1Cl)Cl)C(=O)O","COc1c(c(ccc1Cl)Cl)C(=O)O","COc1c(c(ccc1Cl)Cl)C(=O)O","COc1c(c(ccc1Cl)Cl)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3025,2956,"PICLORAM","1918-02-1","Nc1c(c(nc(c1Cl)Cl)C(=O)O)Cl","Nc1c(c(nc(c1Cl)Cl)C(=O)O)Cl","Nc1c(c(nc(c1Cl)Cl)C(=O)O)Cl","Nc1c(c(nc(c1Cl)Cl)C(=O)O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3026,1052,"DIPROPALIN","1918-08-7","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3027,1521,"2,6-DI-T-BUTYL-P-TOLYL METHYLCARBAMATE","1918-11-2","CNC(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C","CNC(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C","CNC(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C","CNC(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3028,3388,"CHLORTHIAMID","1918-13-4","NC(=S)c1c(cccc1Cl)Cl","NC(=S)c1c(cccc1Cl)Cl","NC(=S)c1c(cccc1Cl)Cl","NC(=S)c1c(cccc1Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3029,409,"PROPACHLOR","1918-16-7","CC(C)N(C(=O)CCl)c1ccccc1","CC(C)N(C(=O)CCl)c1ccccc1","CC(C)N(C(=O)CCl)c1ccccc1","CC(C)N(C(=O)CCl)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3030,2463,"DL-Homoserine","1927-25-9","NC(CCO)C(=O)O","NC(CCO)C(=O)O","NC(CCO)C(=O)O","NC(CCO)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","2622","Stereochemistry removed"]
[3031,958,"10H-Phenothiazin-3-ol","1927-44-2","Oc1cc2c(cc1)Nc3c(S2)cccc3","Oc1cc2c(cc1)Nc3c(S2)cccc3","Oc1cc2c(cc1)Nc3c(S2)cccc3","Oc1cc2c(cc1)Nc3c(S2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3032,4266,"2,4-D, METHYL ESTER","1928-38-7","COC(=O)COc1c(cc(cc1)Cl)Cl","COC(=O)COc1c(cc(cc1)Cl)Cl",null,"COC(=O)COc1c(cc(cc1)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3033,325,"2,4,5-T, ETHYL ESTER","1928-39-8","CCOC(=O)COc1c(cc(c(c1)Cl)Cl)Cl","CCOC(=O)COc1c(cc(c(c1)Cl)Cl)Cl",null,"CCOC(=O)COc1c(cc(c(c1)Cl)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3034,1440,"2,4-D, OCTYL ESTER","1928-44-5","CCCCCCCCOC(=O)COc1c(cc(cc1)Cl)Cl","CCCCCCCCOC(=O)COc1c(cc(cc1)Cl)Cl",null,"CCCCCCCCOC(=O)COc1c(cc(cc1)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3035,370,"2,4-D, PROPYL ESTER","1928-61-6","CCCOC(=O)COc1c(cc(cc1)Cl)Cl","CCCOC(=O)COc1c(cc(cc1)Cl)Cl",null,"CCCOC(=O)COc1c(cc(cc1)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3036,null,"P-MEO-B-PHENYLPROPIONIC ACID","1929-29-9",null,"COc1ccc(cc1)CCC(=O)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3037,1180,"2,4-D, BUTOXYETHYL ESTER","1929-73-3",null,"CCCCOCCOC(=O)COc1c(cc(cc1)Cl)Cl","CCCCOCCOC(=O)COc1c(cc(cc1)Cl)Cl","CCCCOCCOC(=O)COc1c(cc(cc1)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3038,232,"VERNOLATE","1929-77-7","CCCSC(=O)N(CCC)CCC","CCCSC(=O)N(CCC)CCC","CCCSC(=O)N(CCC)CCC","CCCSC(=O)N(CCC)CCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3039,2961,"NITRAPYRIN","1929-82-4","Clc1nc(ccc1)C(Cl)(Cl)Cl","Clc1nc(ccc1)C(Cl)(Cl)Cl","Clc1nc(ccc1)C(Cl)(Cl)Cl","Clc1nc(ccc1)C(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3040,4312,"Benzthiazuron","1929-88-0","CNC(=O)Nc1sc2c(n1)cccc2","CNC(=O)Nc1sc2c(n1)cccc2","CNC(=O)Nc1sc2c(n1)cccc2","CNC(=O)Nc1sc2c(n1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3041,705,"Piperidine, 1,1'-(1,2-ethanediyl)bis-","1932-04-3","C1CCN(CC1)CCN2CCCCC2","C1CCN(CC1)CCN2CCCCC2","C1CCN(CC1)CCN2CCCCC2","C1CCN(CC1)CCN2CCCCC2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3042,4333,"Chlorotrinitromethane","1943-16-4","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3043,null,"1,2-cyclohexanediol,1-methyl-4-(1-methylethenyl","1946-00-5",null,"C=C(C)C1CC(C(CC1)(C)O)O",null,"C=C(C)C1CC(C(CC1)(C)O)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3044,2905,"propane-1-thiosulfinic acid S-propyl ester","1948-52-3","CCCSS(=O)CCC","CCCSS(=O)CCC","CCCSS(=O)CCC","CCCSS(=O)CCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3045,4293,"1,3-Benzenedicarboxylic acid, 2-methoxy-","1951-38-8","COc1c(cccc1C(=O)O)C(=O)O",null,"COc1c(cccc1C(=O)O)C(=O)O","COc1c(cccc1C(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3046,4319,"Propanoic acid, 4-nitrophenyl ester","1956-06-5","CCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","CCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","CCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","CCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3047,407,"Pentanoic acid, 4-nitrophenyl ester","1956-07-6","CCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",null,"CCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","CCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3048,null,"p-dibutylterephthalate","1962-75-0",null,"CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC",null,"CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3049,3247,"L-Valine, N-glycyl-","1963-21-9","CC(C)C(NC(=O)CN)C(=O)O","CC(C)C(NC(=O)CN)C(=O)O","CC(C)C(N=C(O)CN)C(=O)O","CC(C)C(N=C(O)CN)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3050,219,"Hexanediamide, N,N'-bis(2-hydroxyethyl)-","1964-73-4","O=C(CCCCC(=O)NCCO)NCCO","O=C(CCCCC(=O)NCCO)NCCO","OCCN=C(O)CCCCC(O)=NCCO","OCCN=C(O)CCCCC(O)=NCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3051,4296,"3,4-DICHLOROBENZYL METHYLCARBAMATE","1966-58-1","CNC(=O)OCc1cc(c(cc1)Cl)Cl","CNC(=O)OCc1cc(c(cc1)Cl)Cl","CNC(=O)OCc1cc(c(cc1)Cl)Cl","CNC(=O)OCc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3052,347,"CHLORBUFAM","1967-16-4","C#CC(C)OC(=O)Nc1cc(ccc1)Cl","C#CC(C)OC(=O)Nc1cc(ccc1)Cl","C#CC(C)OC(=O)Nc1cc(ccc1)Cl","C#CC(C)OC(=O)Nc1cc(ccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3053,3493,"P-BROMOPHENYLUREA","1967-25-5",null,"NC(=O)Nc1ccc(cc1)Br","NC(=O)Nc1ccc(cc1)Br","NC(=O)Nc1ccc(cc1)Br",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3054,null,"1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-di","1972-03-8",null,"CC12C(NC(C(CC1)C2(C)C)=O)=O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3055,3979,"1-Bromo-2-ethylbenzene","1973-22-4","CCc1c(cccc1)Br","CCc1c(cccc1)Br","CCc1c(cccc1)Br","CCc1c(cccc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3056,1307,"CHLOROXURON","1982-47-4","CN(C)C(=O)Nc1ccc(cc1)Oc2ccc(cc2)Cl","CN(C)C(=O)Nc1ccc(cc1)Oc2ccc(cc2)Cl","CN(C)C(=O)Nc1ccc(cc1)Oc2ccc(cc2)Cl","CN(C)C(=O)Nc1ccc(cc1)Oc2ccc(cc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3057,1201,"SIDURON","1982-49-6","CC1C(CCCC1)NC(=O)Nc2ccccc2","CC1C(CCCC1)NC(=O)Nc2ccccc2","CC1C(CCCC1)NC(=O)Nc2ccccc2","CC1C(CCCC1)NC(=O)Nc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3058,null,"TRI-N-BUTYLTIN FLUORIDE","1983-10-4",null,null,"CCCC[Sn](F)(CCCC)CCCC","CCCC[Sn](F)(CCCC)CCCC",2,0,2,"NO","NO","Eliminate","-",null,"Unusual elements"]
[3059,3437,"Benzene, 1,2-dichloro-3-methoxy-","1984-59-4","COc1c(c(ccc1)Cl)Cl","COc1c(c(ccc1)Cl)Cl","COc1c(c(ccc1)Cl)Cl","COc1c(c(ccc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3060,3438,"Benzene, 1,3-dichloro-2-methoxy-","1984-65-2","COc1c(cccc1Cl)Cl","COc1c(cccc1Cl)Cl","COc1c(cccc1Cl)Cl","COc1c(cccc1Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3061,2091,"Urea, (2,2,2-trichloro-1-hydroxyethyl)-","2000-40-0","NC(=O)NC(O)C(Cl)(Cl)Cl","NC(=O)NC(O)C(Cl)(Cl)Cl",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3062,4275,"2-Propenamide, 3-(2-nitrophenyl)-","2001-33-4","NC(=O)C=Cc1c(cccc1)[N+](=O)[O-]",null,"N=C(O)C=Cc1c(cccc1)[N+](=O)[O-]","N=C(O)C=Cc1c(cccc1)[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3063,3080,"1H-Purine, 6-methyl-","2004-03-7","Cc1c2-c(nc[nH]1)ncn2","Cc1c2c(ncn1)nc[nH]2","Cc1c2c(ncn1)nc[nH]2","Cc1c2c(ncn1)nc[nH]2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3064,504,"BUTYLATE","2008-41-5","CCSC(=O)N(CC(C)C)CC(C)C","CCSC(=O)N(CC(C)C)CC(C)C","CCSC(=O)N(CC(C)C)CC(C)C","CCSC(=O)N(CC(C)C)CC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3065,3386,"2,6-DICHLOROBENZAMIDE","2008-58-4","NC(=O)c1c(cccc1Cl)Cl","NC(=O)c1c(cccc1Cl)Cl","NC(=O)c1c(cccc1Cl)Cl","NC(=O)c1c(cccc1Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3066,4276,"4-Imidazolidinone, 3-phenyl-2-thioxo-","2010-15-3","O=C1N(C(NC1)=S)c2ccccc2","O=C1N(C(NC1)=S)c2ccccc2","O=C1N(C(=NC1)S)c2ccccc2","O=C1N(C(=NC1)S)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3067,247,"N-DECYLAMINE","2016-57-1","CCCCCCCCCCN","CCCCCCCCCCN","CCCCCCCCCCN","CCCCCCCCCCN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3068,417,"ETHYL B-PHENYLPROPIONATE","2021-28-5",null,"CCOC(=O)CCc1ccccc1","CCOC(=O)CCc1ccccc1","CCOC(=O)CCc1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3069,2283,"FLUCYTOSINE","2022-85-7","Nc1c(cnc([nH]1)=O)F","Nc1c(cnc([nH]1)=O)F","Nc1c(c[nH]c(n1)=O)F","Nc1c(c[nH]c(n1)=O)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3070,446,"AMINOCARB","2032-59-9","CNC(=O)Oc1cc(c(cc1)N(C)C)C","CNC(=O)Oc1cc(c(cc1)N(C)C)C","CNC(=O)Oc1cc(c(cc1)N(C)C)C","CNC(=O)Oc1cc(c(cc1)N(C)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3071,437,"METHIOCARB","2032-65-7","CNC(=O)Oc1cc(c(c(c1)C)SC)C","CNC(=O)Oc1cc(c(c(c1)C)SC)C","CNC(=O)Oc1cc(c(c(c1)C)SC)C","CNC(=O)Oc1cc(c(c(c1)C)SC)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3072,3752,"PROPYLCYCLOPENTANE","2040-96-2","CCCC1CCCC1","CCCC1CCCC1","CCCC1CCCC1","CCCC1CCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3073,2168,"Propanamide, 2-hydroxy-","2043-43-8","CC(O)C(N)=O","CC(O)C(N)=O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3074,3521,"BENZENAMINE, N-METHYL-2,4-DINITRO-","2044-88-4","CNc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","CNc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3075,442,"Benzene, (1,1-dimethylpropyl)-","2049-95-8","CCC(C)(C)c1ccccc1","CCC(C)(C)c1ccccc1","CCC(C)(C)c1ccccc1","CCC(C)(C)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3076,482,"DIETHYL PIMELATE","2050-20-6","CCOC(=O)CCCCCC(=O)OCC","CCOC(=O)CCCCCC(=O)OCC","CCOC(=O)CCCCCC(=O)OCC","CCOC(=O)CCCCCC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3077,697,"DIETHYL SUBERATE","2050-23-9","CCOC(=O)CCCCCCC(=O)OCC","CCOC(=O)CCCCCCC(=O)OCC","CCOC(=O)CCCCCCC(=O)OCC","CCOC(=O)CCCCCCC(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3078,907,"3,3'-DICHLOROBIPHENYL","2050-67-1","Clc1cc(ccc1)-c2cc(ccc2)Cl","Clc1cc(ccc1)-c2cc(ccc2)Cl","Clc1cc(ccc1)-c2cc(ccc2)Cl","Clc1cc(ccc1)-c2cc(ccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3079,908,"4,4'-DICHLOROBIPHENYL","2050-68-2","Clc1ccc(cc1)-c2ccc(cc2)Cl","Clc1ccc(cc1)-c2ccc(cc2)Cl","Clc1ccc(cc1)-c2ccc(cc2)Cl","Clc1ccc(cc1)-c2ccc(cc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3080,270,"1,2-DICHLORONAPHTHALENE","2050-69-3","Clc1c(c2c(cc1)cccc2)Cl","Clc1c(c2c(cc1)cccc2)Cl","Clc1c(c2c(cc1)cccc2)Cl","Clc1c(c2c(cc1)cccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3081,264,"1,8-DICHLORONAPHTHALENE","2050-74-0","Clc1c2c(ccc1)cccc2Cl","Clc1c2c(ccc1)cccc2Cl","Clc1c2c(ccc1)cccc2Cl","Clc1c2c(ccc1)cccc2Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3082,269,"2,3-DICHLORONAPHTHALENE","2050-75-1","Clc1c(cc2c(c1)cccc2)Cl","Clc1c(cc2c(c1)cccc2)Cl","Clc1c(cc2c(c1)cccc2)Cl","Clc1c(cc2c(c1)cccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3083,528,"DECACHLOROBIPHENYL","2051-24-3","Clc1c(c(c(c(c1Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3084,940,"2-CHLOROBIPHENYL","2051-60-7","Clc1c(cccc1)-c2ccccc2","Clc1c(cccc1)-c2ccccc2","Clc1c(cccc1)-c2ccccc2","Clc1c(cccc1)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3085,938,"3-CHLOROBIPHENYL","2051-61-8","Clc1cc(ccc1)-c2ccccc2","Clc1cc(ccc1)-c2ccccc2","Clc1cc(ccc1)-c2ccccc2","Clc1cc(ccc1)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3086,939,"4-CHLOROBIPHENYL","2051-62-9","Clc1ccc(cc1)-c2ccccc2","Clc1ccc(cc1)-c2ccccc2","Clc1ccc(cc1)-c2ccccc2","Clc1ccc(cc1)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3087,542,"2,4-Dihydroxyazobenzene","2051-85-6","Oc1cc(c(cc1)N=Nc2ccccc2)O","O=C1C=C(C(C=C1)=NNc2ccccc2)O","Oc1cc(c(cc1)N=Nc2ccccc2)O","Oc1cc(c(cc1)N=Nc2ccccc2)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3088,266,"2,6-DICHLORONAPHTHALENE","2065-70-5","Clc1cc2c(cc1)cc(Cl)cc2","Clc1cc2c(cc1)cc(Cl)cc2","Clc1cc2c(cc1)cc(Cl)cc2","Clc1cc2c(cc1)cc(Cl)cc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3089,null,"DL-Allothreonine, O-methyl-","2076-53-1","COC(C)C(N)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3090,null,"DL-Threonine, O-methyl-","2076-57-5","COC(C)C(N)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3091,1503,"Phenol, 4,4'-(3-methylbutylidene)bis-","2081-32-5","CC(C)CC(c1ccc(cc1)O)c2ccc(cc2)O",null,"CC(C)CC(c1ccc(cc1)O)c2ccc(cc2)O","CC(C)CC(c1ccc(cc1)O)c2ccc(cc2)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3092,4289,"M-CARBOXYPHENYLACETIC ACID","2084-13-1","O=C(O)Cc1cc(ccc1)C(=O)O","O=C(O)Cc1cc(ccc1)C(=O)O",null,"O=C(O)Cc1cc(ccc1)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3093,4153,"Propanedioic acid, butylethyl-","2085-15-6","CCCCC(CC)(C(=O)O)C(=O)O",null,null,"CCCCC(CC)(C(=O)O)C(=O)O",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[3094,3220,"Butanedioic acid, trimethyl-","2103-16-4","CC(C(=O)O)C(C)(C)C(=O)O","CC(C(=O)O)C(C)(C)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3095,null,"Butanedioic acid, 3-ethyl-2,2-dimethyl-","2103-31-3","CCC(C(=O)O)C(C)(C)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3096,1149,"EPN","2104-64-5","CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2","CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2","CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2","CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3097,3927,"BROMOPHOS","2104-96-3","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Br)Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Br)Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Br)Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Br)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3098,null,"2H-Naphtho[1,2-b]pyran-2-one, 4-methyl-","2107-75-7","Cc1c2c(oc(c1)=O)c3c(cc2)cccc3",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3099,3221,"Pentanedioic acid, 2,4-dimethyl-","2121-67-7","CC(CC(C)C(=O)O)C(=O)O","CC(CC(C)C(=O)O)C(=O)O","CC(CC(C)C(=O)O)C(=O)O","CC(CC(C)C(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3100,1174,"Clorexolone","2127-01-7","NS(=O)(=O)c1c(cc2c(c1)C(N(C2)C3CCCCC3)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)C(N(C2)C3CCCCC3)=O)Cl",null,"NS(=O)(=O)c1c(cc2c(c1)C(N(C2)C3CCCCC3)=O)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3101,1011,"1,4,5-TRIMETHYLNAPHTHALENE","2131-41-1","Cc1c2c(c(cc1)C)c(C)ccc2","Cc1c2c(c(cc1)C)c(C)ccc2","Cc1c2c(c(cc1)C)c(C)ccc2","Cc1c2c(c(cc1)C)c(C)ccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3102,3354,"BENZENE, 1-BROMO-3-ISOTHIOCYANATO-","2131-59-1","S=C=Nc1cc(ccc1)Br","S=C=Nc1cc(ccc1)Br","S=C=Nc1cc(ccc1)Br","S=C=Nc1cc(ccc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3103,1795,"FLUMETHASONE","2135-17-3","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3104,729,"2,2',3,3',5,5',6,6'-OCTACHLOROBIPHENYL","2136-99-4","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3105,652,"1,3-Benzenediol, 4-cyclohexyl-","2138-20-7","Oc1cc(c(cc1)C2CCCCC2)O","Oc1cc(c(cc1)C2CCCCC2)O","Oc1cc(c(cc1)C2CCCCC2)O","Oc1cc(c(cc1)C2CCCCC2)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3106,1880,"betamethasone-17-valerate","2152-44-5",null,"CCCCC(=O)OC1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)C(=O)CO",null,"CCCCC(=O)OC1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)C(=O)CO",2,0,2,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed, Name verified in PubChem"]
[3107,4269,"Endosulfan diol","2157-19-9","OCC1C2(C(=C(C(C1CO)(C2(Cl)Cl)Cl)Cl)Cl)Cl","OCC1C2(C(=C(C(C1CO)(C2(Cl)Cl)Cl)Cl)Cl)Cl",null,"OCC1C2(C(=C(C(C1CO)(C2(Cl)Cl)Cl)Cl)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[3108,3864,"1,3-Benzenedicarboxylic acid, 5-chloro-","2157-39-3","O=C(O)c1cc(cc(c1)Cl)C(=O)O","O=C(O)c1cc(cc(c1)Cl)C(=O)O","O=C(O)c1cc(cc(c1)Cl)C(=O)O","O=C(O)c1cc(cc(c1)Cl)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3109,1253,"Benzoic acid, 2-(4-bromobenzoyl)-","2159-40-2","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Br","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Br","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Br","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3110,3738,"4-ETHYLAMINO-6-ISOPROPYLAMINO-S-TRIAZIN-2-OL","2163-68-0","CCNc1nc(nc(n1)O)NC(C)C","CCNc1[nH]c(nc(n1)=O)NC(C)C",null,"CCNc1nc(nc(n1)O)NC(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3111,492,"CYCLURON","2163-69-1","CN(C)C(=O)NC1CCCCCCC1","CN(C)C(=O)NC1CCCCCCC1","CN(C)C(=O)NC1CCCCCCC1","CN(C)C(=O)NC1CCCCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3112,null,"MSMA","2163-80-6","C[As](=O)(O)O","C[As](=O)(O)O","C[As](=O)(O)O","C[As](=O)(O)O",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[3113,1042,"LENACIL","2164-08-1","O=c1n(c(c2c([nH]1)CCC2)=O)C3CCCCC3","O=c1n(c(c2c([nH]1)CCC2)=O)C3CCCCC3","O=c1n(c(c2c([nH]1)CCC2)=O)C3CCCCC3","O=c1n(c(c2c([nH]1)CCC2)=O)C3CCCCC3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3114,324,"DICRYL","2164-09-2","C=C(C)C(=O)Nc1cc(c(cc1)Cl)Cl","C=C(C)C(=O)Nc1cc(c(cc1)Cl)Cl","C=C(C)C(=O)Nc1cc(c(cc1)Cl)Cl","C=C(C)C(=O)Nc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3115,null,"BCPC","2164-13-8","BCPC","CCC(C)OC(=O)Nc1cc(ccc1)Cl","CCC(C)OC(=O)Nc1cc(ccc1)Cl","CCC(C)OC(=O)Nc1cc(ccc1)Cl",3,1,0,"NO","NO","Eliminate","-",null,"Organic counterion, Unusual elements"]
[3116,27,"FLUOMETURON","2164-17-2","CN(C)C(=O)Nc1cc(ccc1)C(F)(F)F","CN(C)C(=O)Nc1cc(ccc1)C(F)(F)F","CN(C)C(=O)Nc1cc(ccc1)C(F)(F)F","CN(C)C(=O)Nc1cc(ccc1)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3117,null,"Propanoic acid, 3,3'-selenobis-","2168-88-9","O=C(O)CC[Se]CCC(=O)O",{"$nulls":3},1,0,3,"NO","NO","Eliminate","-",null,"Unusual elements"]
[3118,1171,"Naphthalene, 2-(2-methylpropoxy)-","2173-57-1","CC(C)COc1cc2c(cc1)cccc2","CC(C)COc1cc2c(cc1)cccc2","CC(C)COc1cc2c(cc1)cccc2","CC(C)COc1cc2c(cc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3119,1583,"BUPIVACAINE","2180-92-9","CCCCN1C(CCCC1)C(=O)Nc2c(cccc2C)C","CCCCN1C(CCCC1)C(=O)Nc2c(cccc2C)C","CCCCN1C(CCCC1)C(=O)Nc2c(cccc2C)C","CCCCN1C(CCCC1)C(=O)Nc2c(cccc2C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3120,null,"1,3-Cyclohexanedione, 2,2'-methylenebis[5,5-dime","2181-22-8",null,"CC1(CC(C(C(C1)=O)CC2C(CC(CC2=O)(C)C)=O)=O)C",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3121,1213,"OCTYLBENZENE","2189-60-8","CCCCCCCCc1ccccc1","CCCCCCCCc1ccccc1","CCCCCCCCc1ccccc1","CCCCCCCCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3122,265,"2,7-DICHLORONAPHTHALENE","2198-77-8","Clc1cc2c(cc1)ccc(Cl)c2","Clc1cc2c(cc1)ccc(Cl)c2","Clc1cc2c(cc1)ccc(Cl)c2","Clc1cc2c(cc1)ccc(Cl)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3123,null,"1h-pyrrole-2-carboxylicacid,3,5-dimethyl-,eth","2199-44-2",null,"CCOC(=O)c1c(cc([nH]1)C)C",null,"CCOC(=O)c1c(cc([nH]1)C)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3124,4291,"1,3-Benzenedicarboxylic acid, 4-methoxy-","2206-43-1","COc1c(cc(cc1)C(=O)O)C(=O)O","COc1c(cc(cc1)C(=O)O)C(=O)O","COc1c(cc(cc1)C(=O)O)C(=O)O","COc1c(cc(cc1)C(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3125,3757,"1,2-DIMETHYLCYCLOHEXANE (CIS)","2207-01-4","CC1C(CCCC1)C","CC1C(CCCC1)C","CC1C(CCCC1)C","CC1C(CCCC1)C",4,0,0,"NO","NO","Mantain","High Reliability","2239, 3788","Stereochemistry removed"]
[3126,3755,"1,4-DIMETHYLCYCLOHEXANE (TRANS)","2207-04-7","CC1CCC(CC1)C","CC1CCC(CC1)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","2278","Checked on ChemID, Checked on PubChem"]
[3127,null,"BUTANE, 2,3-DICHLORO-, (R*,R*)-(.+-.)-","2211-67-8",null,"CC(Cl)C(C)Cl",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[3128,4167,"MOLINATE","2212-67-1","CCSC(=O)N1CCCCCC1","CCSC(=O)N1CCCCCC1","CCSC(=O)N1CCCCCC1","CCSC(=O)N1CCCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3129,511,"1-NAPHTHALENECARBOXYLIC ACID, 8-NITRO-","2216-13-9","O=C(O)c1c2c(ccc1)cccc2[N+](=O)[O-]","O=C(O)c1c2c(ccc1)cccc2[N+](=O)[O-]","O=C(O)c1c2c(ccc1)cccc2[N+](=O)[O-]","O=C(O)c1c2c(ccc1)cccc2[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3130,4192,"4-METHYLOCTANE","2216-34-4","CCCCC(C)CCC","CCCCC(C)CCC","CCCCC(C)CCC","CCCCC(C)CCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3131,224,"MENTHOL (L)","2216-51-5",null,"CC1CC(C(CC1)C(C)C)O","CC1CC(C(CC1)C(C)C)O","CC1CC(C(CC1)C(C)C)O",3,0,1,"NO","NO","Mantain","Medium Reliability","640, 2915","Stereochemistry removed"]
[3132,350,"NAPHTHALENE, 1-METHOXY-","2216-69-5","COc1c2c(ccc1)cccc2","COc1c2c(ccc1)cccc2","COc1c2c(ccc1)cccc2","COc1c2c(ccc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3133,null,"(+)-fenchol","2217-02-9",null,"CC12CC(CC1)C(C)(C)C2O",null,"CC12CC(CC1)C(C)(C)C2O",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[3134,157,"barbituricacid,5,5-dipr","2217-08-5",null,"CCCC1(C(NC(NC1=O)=O)=O)CCC",null,"CCCC1(C(NC(NC1=O)=O)=O)CCC",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[3135,null,"2-Furanmethanol, tetrahydro-, benzoate","2217-32-5","O=C(O)c1ccccc1","O=C(OCC1OCCC1)c2ccccc2",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3136,4209,"Pentane, 3,3-bis(ethylsulfonyl)-","2217-59-6","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3137,861,"TETRASUL","2227-13-6","Clc1ccc(cc1)Sc2c(cc(c(c2)Cl)Cl)Cl","Clc1ccc(cc1)Sc2c(cc(c(c2)Cl)Cl)Cl","Clc1ccc(cc1)Sc2c(cc(c(c2)Cl)Cl)Cl","Clc1ccc(cc1)Sc2c(cc(c(c2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3138,1,"DIENOCHLOR","2227-17-0","ClC=1C(=C(C(C1Cl)(Cl)C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl","ClC=1C(=C(C(C1Cl)(Cl)C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl","ClC=1C(=C(C(C1Cl)(Cl)C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl","ClC=1C(=C(C(C1Cl)(Cl)C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3139,3158,"2-Cyclohexen-1-one, oxime, (Z)-","2229-00-7","ON=C1CCCC=C1",null,"ON=C1CCCC=C1","ON=C1CCCC=C1",3,0,1,"NO","NO","Mantain","Medium Reliability","3372","Stereochemistry removed"]
[3140,4,"OCTACHLORONAPHTHALENE","2234-13-1","Clc1c(c2c(c(c1Cl)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl","Clc1c(c2c(c(c1Cl)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl","Clc1c(c2c(c(c1Cl)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl","Clc1c(c2c(c(c1Cl)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3141,638,"1H-INDOLE-3-ETHANAMINE, .alpha.-ETHYL-","2235-90-7","CCC(N)Cc1c2c([nH]c1)cccc2","CCC(N)Cc1c2c([nH]c1)cccc2",null,"CCC(N)Cc1c2c([nH]c1)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3142,3452,"M-AMINOBENZONITRILE","2237-30-1","N#Cc1cc(ccc1)N","N#Cc1cc(ccc1)N","N#Cc1cc(ccc1)N","N#Cc1cc(ccc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3143,4159,"NONANONITRILE","2243-27-8","CCCCCCCCC#N","CCCCCCCCC#N","CCCCCCCCC#N","CCCCCCCCC#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3144,9,"1,5-DIAMINONAPHTHALENE","2243-62-1","Nc1c2c(ccc1)c(N)ccc2","Nc1c2c(ccc1)c(N)ccc2","Nc1c2c(ccc1)c(N)ccc2","Nc1c2c(ccc1)c(N)ccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3145,263,"Naphthalene, 1,4,5-trinitro-","2243-95-0","O=[N+]([O-])c1c2c(c(cc1)[N+](=O)[O-])c([N+](=O)[O-])ccc2","O=[N+]([O-])c1c2c(c(cc1)[N+](=O)[O-])c([N+](=O)[O-])ccc2","O=[N+]([O-])c1c2c(c(cc1)[N+](=O)[O-])c([N+](=O)[O-])ccc2","O=[N+]([O-])c1c2c(c(cc1)[N+](=O)[O-])c([N+](=O)[O-])ccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3146,135,"2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)","2244-16-8",null,"C=C(C)C1CC(C(=CC1)C)=O","C=C(C)C1CC(C(=CC1)C)=O","C=C(C)C1CC(C(=CC1)C)=O",3,0,1,"NO","NO","Mantain","Medium Reliability","847, 1907, 3758","Stereochemistry removed"]
[3147,4323,"2-phenethylisothiocyanate","2257-09-2","CCc1c(cccc1)N=C=S","S=C=NCCc1ccccc1",null,"S=C=NCCc1ccccc1",2,1,1,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[3148,2210,"2,3,3-TRICHLORO-2-PROPENOIC ACID","2257-35-4","O=C(O)C(Cl)=C(Cl)Cl","O=C(O)C(Cl)=C(Cl)Cl","O=C(O)C(Cl)=C(Cl)Cl","O=C(O)C(Cl)=C(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3149,2966,"1H-Purine, 8-(trifluoromethyl)-","2268-12-4","FC(F)(F)c1nc2-c(n1)c[nH]cn2","FC(F)(F)c1[nH]c2c(n1)ncnc2",null,"FC(F)(F)c1[nH]c2c(n1)ncnc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3150,420,"5-PHENYLPENTANOIC ACID","2270-20-4","O=C(O)CCCCc1ccccc1","O=C(O)CCCCc1ccccc1","O=C(O)CCCCc1ccccc1","O=C(O)CCCCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3151,2988,"7H-Purine, 2,6-dichloro-7-methyl-","2273-93-0","Cn1c2c(nc1)nc(Cl)nc2Cl","Cn1c2c(nc1)nc(Cl)nc2Cl","Cn1c2c(nc1)nc(Cl)nc2Cl","Cn1c2c(nc1)nc(Cl)nc2Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3152,null,"phosphoricacid,2-chloro-(2,4-dichlorophenyl)vin","2274-67-1",null,"COP(=O)(OC)OC(=CCl)c1c(cc(cc1)Cl)Cl",null,"COP(=O)(OC)OC(=CCl)c1c(cc(cc1)Cl)Cl",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[3153,4196,"PROTHOATE","2275-18-5","CCOP(=S)(OCC)SCC(=O)NC(C)C","CCOP(=S)(OCC)SCC(=O)NC(C)C","CCOP(=S)(OCC)SCC(=O)NC(C)C","CCOP(=S)(OCC)SCC(=O)NC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3154,null,"VAMIDOTHION","2275-23-2","CNC(=O)C(C)SCCSP(=O)(OC)OC","CNC(=O)CCSCCSP(=O)(OC)OC","CNC(=O)C(C)SCCSP(=O)(OC)OC","CNC(=O)C(C)SCCSP(=O)(OC)OC",3,1,0,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[3155,null,"Sulfanilamide, N1-(4-ethyl-2-pyrimidinyl)-","2276-96-2","CCc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3156,null,"ETHYL MERCURY CYANIDE","2279-63-2","CC[Hg]C#N","CC[Hg]C#N",null,"CC[Hg]C#N",3,0,1,"NO","NO","Eliminate","-",null,"Unusual elements"]
[3157,522,"1-Naphthalenecarboxylic acid, 2-hydroxy-","2283-08-1","O=C(O)c1c2c(ccc1O)cccc2","O=C(O)c1c2c(ccc1O)cccc2","O=C(O)c1c2c(ccc1O)cccc2","O=C(O)c1c2c(ccc1O)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3158,281,"1H-2-Benzopyran-3-carboxylic acid, 1-oxo-","2289-03-4","O=C(O)c1oc(c2c(c1)cccc2)=O","O=C(O)c1oc(c2c(c1)cccc2)=O","O=C(O)c1oc(c2c(c1)cccc2)=O","O=C(O)c1oc(c2c(c1)cccc2)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3159,175,"DIALLATE","2303-16-4","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3160,156,"TRIALLATE","2303-17-5","CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C","CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C","CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C","CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3161,null,"3-me-4'-no2-diphenylether","2303-25-5",null,"Cc1cc(ccc1)Oc2ccc(cc2)[N+](=O)[O-]",null,"Cc1cc(ccc1)Oc2ccc(cc2)[N+](=O)[O-]",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3162,3703,"trans-Cyclohexane-1,2-dicarboxylic acid","2305-32-0","O=C(O)C1C(CCCC1)C(=O)O","O=C(O)C1C(CCCC1)C(=O)O","O=C(O)C1C(CCCC1)C(=O)O","O=C(O)C1C(CCCC1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3163,1040,"PENTANOCHLOR","2307-68-8","CCCC(C)C(=O)Nc1cc(c(cc1)C)Cl","CCCC(C)C(=O)Nc1cc(c(cc1)C)Cl","CCCC(C)C(=O)Nc1cc(c(cc1)C)Cl","CCCC(C)C(=O)Nc1cc(c(cc1)C)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3164,2600,"2H-Purin-2-one, 1,3-dihydro-","2308-57-8","O=c1[nH]c2-c(c[nH]1)ncn2","O=c1[nH]c2c(cn1)[nH]cn2","O=c1[nH]c2c(cn1)[nH]cn2","O=c1[nH]c2c(cn1)[nH]cn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3165,null,"1h-purine-2,6,8(3h)-trione,7,9-dihydro-1,3,7,9-","2309-49-1",null,"Cn1c(n(c2c(c1=O)n(c(n2C)=O)C)C)=O",null,"Cn1c(n(c2c(c1=O)n(c(n2C)=O)C)C)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3166,624,"PHOSALONE","2310-17-0","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3167,1660,"PROPARGITE","2312-35-8","C#CCOS(=O)OC1C(CCCC1)Oc2ccc(cc2)C(C)(C)C","C#CCOS(=O)OC1C(CCCC1)Oc2ccc(cc2)C(C)(C)C","C#CCOS(=O)OC1C(CCCC1)Oc2ccc(cc2)C(C)(C)C","C#CCOS(=O)OC1C(CCCC1)Oc2ccc(cc2)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3168,1554,"Flurenol-butyl","2314-09-2","CCCCOC(=O)C1(c2c(-c3c1cccc3)cccc2)O","CCCCOC(=O)C1(c2c(-c3c1cccc3)cccc2)O","CCCCOC(=O)C1(c2c(-c3c1cccc3)cccc2)O","CCCCOC(=O)C1(c2c(-c3c1cccc3)cccc2)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3169,2776,"CDEA","2315-36-8","CCN(CC)C(=O)CCl","CCN(CC)C(=O)CCl",null,"CCN(CC)C(=O)CCl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3170,71,"PROPYL BENZOATE","2315-68-6","CCCOC(=O)c1ccccc1","CCCOC(=O)c1ccccc1","CCCOC(=O)c1ccccc1","CCCOC(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3171,3497,"BENZENEMETHANOL, 5-BROMO-2-HYDROXY-","2316-64-5","OCc1c(ccc(c1)Br)O","OCc1c(ccc(c1)Br)O","OCc1c(ccc(c1)Br)O","OCc1c(ccc(c1)Br)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3172,3219,"Butanedioic acid, (1-methylethyl)-","2338-45-6","CC(C)C(CC(=O)O)C(=O)O","CC(C)C(CC(=O)O)C(=O)O",null,"CC(C)C(CC(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3173,1522,"4-Butoxybenzoic acid 2-(diethylamino)ethyl ester","2350-32-5","CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC","CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC",null,"CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC",3,0,1,"NO","NO","Mantain","Medium Reliability","","Differences in counterions"]
[3174,2638,"2-Thiophenecarboxylic acid, hydrazide","2361-27-5","NNC(=O)c1sccc1","NNC(=O)c1sccc1","NNC(=O)c1sccc1","NNC(=O)c1sccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3175,1038,"N-acetyl-L-phenylalanine, ethyl ester","2361-96-8","CCOC(=O)C(Cc1ccccc1)NC(C)=O","CCOC(=O)C(Cc1ccccc1)NC(C)=O","CCOC(=O)C(Cc1ccccc1)N=C(C)O","CCOC(=O)C(Cc1ccccc1)N=C(C)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3176,1665,"Epitiostanol","2363-58-8","CC12C(C3C(CC1)C4(C(CC3)CC5C(S5)C4)C)CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC5C(S5)C4)C)CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC5C(S5)C4)C)CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC5C(S5)C4)C)CCC2O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3177,2943,"1,2,3,5-TETRAFLUOROBENZENE","2367-82-0","Fc1cc(c(c(c1)F)F)F","Fc1cc(c(c(c1)F)F)F","Fc1cc(c(c(c1)F)F)F","Fc1cc(c(c(c1)F)F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3178,3312,"2,2-DIMETHYL-1-PENTANOL","2370-12-9","CCCC(C)(C)CO","CCCC(C)(C)CO","CCCC(C)(C)CO","CCCC(C)(C)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3179,317,"2H-1-Benzopyran-2-one, 6-hydroxy-4-methyl-","2373-31-1","Cc1c2c(oc(c1)=O)ccc(O)c2","Cc1c2c(oc(c1)=O)ccc(O)c2","Cc1c2c(oc(c1)=O)ccc(O)c2","Cc1c2c(oc(c1)=O)ccc(O)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3180,320,"3,4-(METHYLENEDIOXY)CINNAMIC ACID","2373-80-0","O=C(O)C=Cc1cc2c(cc1)OCO2","O=C(O)C=Cc1cc2c(cc1)OCO2",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[3181,4094,"5-ALLYL-5-ETHYL BARBITURIC ACID","2373-84-4","C=CCC1(C(NC(NC1=O)=O)=O)CC","C=CCC1(C(NC(NC1=O)=O)=O)CC",null,"C=CCC1(C(NC(NC1=O)=O)=O)CC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3182,1608,"10-METHYL-BENZ(A)ANTHRACENE","2381-15-9","Cc1cc2c(cc1)cc3c(c4c(cc3)cccc4)c2","Cc1cc2c(cc1)cc3c(c4c(cc3)cccc4)c2",null,"Cc1cc2c(cc1)cc3c(c4c(cc3)cccc4)c2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3183,1609,"9-METHYLBENZ(A)ANTHRACENE","2381-16-0","Cc1cc2c(cc1)cc3c4c(ccc3c2)cccc4","Cc1cc2c(cc1)cc3c4c(ccc3c2)cccc4","Cc1cc2c(cc1)cc3c4c(ccc3c2)cccc4","Cc1cc2c(cc1)cc3c4c(ccc3c2)cccc4",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3184,1729,"6-METHYLBENZO(A)PYRENE","2381-39-7","Cc1c2ccc3cccc4ccc(c5c1cccc5)c2c43","Cc1c2ccc3cccc4ccc(c5c1cccc5)c2c43","Cc1c2ccc3cccc4ccc(c5c1cccc5)c2c43","Cc1c2ccc3cccc4ccc(c5c1cccc5)c2c43",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3185,null,"L-TRYPTOPHAN, N-ACETYL, ETHYL ESTER","2382-80-1",null,"CCOC(=O)C(Cc1c2c([nH]c1)cccc2)N(C)C=O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[3186,3429,"2(3H)-Benzoxazolethione","2382-96-9","S=c1oc2c([nH]1)cccc2","S=c1oc2c([nH]1)cccc2","Sc1oc2c(n1)cccc2","Sc1oc2c(n1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3187,null,"1-Camphoronic Acid","2385-74-2",null,"CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3188,3,"MIREX","2385-85-5","ClC1(C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","ClC1(C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","ClC1(C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","ClC1(C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3189,3368,"1-CHLORO-3-ISOTHIOCYANATO-BENZENE","2392-68-9","S=C=Nc1cc(ccc1)Cl","S=C=Nc1cc(ccc1)Cl","S=C=Nc1cc(ccc1)Cl",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3190,null,"1,6-HEPTADIENE","2396-63-6","C=CCCCC=C","C#CCCCC#C","C=CCCCC=C","C#CCCCC#C",2,2,0,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3191,4080,"1,8-NONADIYNE","2396-65-8","C#CCCCCCC#C","C#CCCCCCC#C","C#CCCCCCC#C","C#CCCCCCC#C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3192,3059,"N-OXIDENICOTINIC ACID","2398-81-4","O=C(O)C1=C[NH+2]([O-])[CH-]C=C1","O=C(O)C1=C[NH+2]([O-])[CH-]C=C1",null,"O=C(O)c1c[n+](ccc1)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3193,252,"Phosphonic acid, ethyl-, dibutyl ester","2404-58-2","CCCCOP(=O)(CC)OCCCC",null,"CCCCOP(=O)(CC)OCCCC","CCCCOP(=O)(CC)OCCCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3194,4213,"DIBUTYL METHYLPHOSPHONATE","2404-73-1","CCCCOP(C)(=O)OCCCC","CCCCOP(C)(=O)OCCCC","CCCCOP(C)(=O)OCCCC","CCCCOP(C)(=O)OCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3195,4099,"2,3,6-TRIMETHYLPHENOL","2416-94-6","Cc1c(c(c(cc1)C)O)C","Cc1c(c(c(cc1)C)O)C","Cc1c(c(c(cc1)C)O)C","Cc1c(c(c(cc1)C)O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3196,549,"Phenol, 2-phenoxy-","2417-10-9","Oc1c(cccc1)Oc2ccccc2","Oc1c(cccc1)Oc2ccccc2","Oc1c(cccc1)Oc2ccccc2","Oc1c(cccc1)Oc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3197,718,"Tri-sec-butanolamine","2421-02-5","CCC(O)CN(CC(O)CC)CC(O)CC","CCC(O)CN(CC(O)CC)CC(O)CC",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3198,1606,"12-METHYLBENZ(A)ANTHRACENE","2422-79-9","Cc1c2c(cc3c1cccc3)ccc4c2cccc4","Cc1c2c(cc3c1cccc3)ccc4c2cccc4","Cc1c2c(cc3c1cccc3)ccc4c2cccc4","Cc1c2c(cc3c1cccc3)ccc4c2cccc4",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3199,327,"CAPTAFOL","2425-06-1","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)C(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)C(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)C(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)C(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3200,null,"3,4-dimephenyln-methylcarbamate","2425-10-7",null,"CNC(=O)Oc1cc(c(cc1)C)C",null,"CNC(=O)Oc1cc(c(cc1)C)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3201,3263,"GLYCIDYL N-BUTYL ETHER","2426-08-6",null,"CCCCOCC1OC1","CCCCOCC1OC1","CCCCOCC1OC1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3202,4205,"7-METHYL-1-OCTANOL","2430-22-0","CC(C)CCCCCCO","CC(C)CCCCCCO","CC(C)CCCCCCO","CC(C)CCCCCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3203,3440,"4-METHYL-2,6-DICHLOROPHENOL","2432-12-4","Cc1cc(c(c(c1)Cl)O)Cl","Cc1cc(c(c(c1)Cl)O)Cl","Cc1cc(c(c(c1)Cl)O)Cl","Cc1cc(c(c(c1)Cl)O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3204,3462,"Pteridine, 2-methyl-","2432-20-4","Cc1nc2c(cn1)nccn2",null,"Cc1nc2c(cn1)nccn2","Cc1nc2c(cn1)nccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3205,3464,"Pteridine, 4-methyl-","2432-21-5","Cc1c2c(ncn1)nccn2",null,"Cc1c2c(ncn1)nccn2","Cc1c2c(ncn1)nccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3206,503,"11-Aminoundecanoic acid","2432-99-7","NCCCCCCCCCCC(=O)O","NCCCCCCCCCCC(=O)O","NCCCCCCCCCCC(=O)O","NCCCCCCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3207,835,"2,2',4,4'-TETRACHLOROBIPHENYL","2437-79-8","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3208,279,"OXYTHIOQUINOX","2439-01-2","Cc1cc2c(cc1)nc3c(sc(s3)=O)n2","Cc1cc2c(cc1)nc3c(sc(s3)=O)n2","Cc1cc2c(cc1)nc3c(sc(s3)=O)n2","Cc1cc2c(cc1)nc3c(sc(s3)=O)n2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3209,1081,"DODINE","2439-10-3","CCCCCCCCCCCCN=C(N)N","CCCCCCCCCCCCN=C(N)N","CCCCCCCCCCCCNC(=N)N","CCCCCCCCCCCCNC(=N)N",4,0,0,"NO","NO","Mantain","High Reliability","1262","Organic counterion"]
[3210,3990,"O-METHOXYBENZAMIDE","2439-77-2","COc1c(cccc1)C(N)=O","COc1c(cccc1)C(N)=O","COc1c(cccc1)C(N)=O","COc1c(cccc1)C(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3211,2264,"GLYPHOSINE","2439-99-8","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3212,1142,"Ethanone, 2-(4-aminophenyl)-1-phenyl-","2440-20-2","Nc1ccc(cc1)CC(=O)c2ccccc2",null,"Nc1ccc(cc1)CC(=O)c2ccccc2","Nc1ccc(cc1)CC(=O)c2ccccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3213,915,"4,4'-Dichlorodiphenyl ether","2444-89-5","Clc1ccc(cc1)Oc2ccc(cc2)Cl","Clc1ccc(cc1)Oc2ccc(cc2)Cl","Clc1ccc(cc1)Oc2ccc(cc2)Cl","Clc1ccc(cc1)Oc2ccc(cc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3214,null,"TERPIN HYDRATE (cis-form)","2451-01-6",null,"CC1(CCC(CC1)C(C)(C)O)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3215,3982,"DICAPTHON","2463-84-5","COP(=S)(OC)Oc1c(cc(cc1)[N+](=O)[O-])Cl","COP(=S)(OC)Oc1c(cc(cc1)[N+](=O)[O-])Cl","COP(=S)(OC)Oc1c(cc(cc1)[N+](=O)[O-])Cl","COP(=S)(OC)Oc1c(cc(cc1)[N+](=O)[O-])Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3216,null,"9h-fluorene-9-carboxylicaicd,2-chloro-9-hydrox","2464-37-1",null,"O=C(O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O",null,"O=C(O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3217,1126,"1,4,5,8-TETRAAMINOANTHRAQUINONE","2475-45-8","Nc1c2c(c(cc1)N)C(c3c(C2=O)c(N)ccc3N)=O","Nc1c2c(c(cc1)N)C(c3c(C2=O)c(N)ccc3N)=O","Nc1c2c(c(cc1)N)C(c3c(C2=O)c(N)ccc3N)=O","Nc1c2c(c(cc1)N)C(c3c(C2=O)c(N)ccc3N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3218,543,"4-(PHENYLAZO)BENZENESULFONIC ACID","2484-88-0","O=S(=O)(O)c1ccc(cc1)N=Nc2ccccc2","O=S(=O)(O)c1ccc(cc1)N=Nc2ccccc2","O=S(=O)(O)c1ccc(cc1)N=Nc2ccccc2","O=S(=O)(O)c1ccc(cc1)N=Nc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3219,null,"Medinoterb acetate","2487-01-6","CC(=O)Oc1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])C)C(C)(C)C","CC(=O)Oc1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])C)C(C)(C)C",null,"CC(=O)Oc1c(c(c(cc1C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]",2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[3220,2107,"Glycine, N-formyl-","2491-15-8","O=CNCC(=O)O","O=CNCC(=O)O","O=CNCC(=O)O","O=CNCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3221,1131,"Ethanone, 1-(4-hydroxyphenyl)-2-phenyl-","2491-32-9","O=C(Cc1ccccc1)c2ccc(cc2)O","O=C(Cc1ccccc1)c2ccc(cc2)O","O=C(Cc1ccccc1)c2ccc(cc2)O","O=C(Cc1ccccc1)c2ccc(cc2)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3222,3844,"DISULFOTON SULFONE","2497-06-5","CCOP(=S)(OCC)SCCS(=O)(=O)CC","CCOP(=S)(OCC)SCCS(=O)(=O)CC","CCOP(=S)(OCC)SCCS(=O)(=O)CC","CCOP(=S)(OCC)SCCS(=O)(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3223,3839,"DISULFOTON SULFOXIDE","2497-07-6","CCOP(=S)(OCC)SCCS(=O)CC","CCOP(=S)(OCC)SCCS(=O)CC","CCOP(=S)(OCC)SCCS(=O)CC","CCOP(=S)(OCC)SCCS(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3224,1602,"BENZ[a]ANTHRACENE, 5-FLUORO-7-METHYL-","2498-63-7","Cc1c2c(cc3c1cccc3)c4c(c(c2)F)cccc4","Cc1c2c(cc3c1cccc3)c4c(c(c2)F)cccc4","Cc1c2c(cc3c1cccc3)c4c(c(c2)F)cccc4","Cc1c2c(cc3c1cccc3)c4c(c(c2)F)cccc4",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3225,1607,"1-METHYLBENZ(A)ANTHRACENE","2498-77-3","Cc1c2c(ccc1)ccc3c2cc4c(c3)cccc4","Cc1c2c(ccc1)ccc3c2cc4c(c3)cccc4","Cc1c2c(ccc1)ccc3c2cc4c(c3)cccc4","Cc1c2c(ccc1)ccc3c2cc4c(c3)cccc4",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3226,3365,"2-NITRO-5-CHLOROBENZOIC ACID","2516-95-2","O=C(O)c1c(ccc(c1)Cl)[N+](=O)[O-]","O=C(O)c1c(ccc(c1)Cl)[N+](=O)[O-]",null,"O=C(O)c1c(ccc(c1)Cl)[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3227,3367,"2-CHLORO-5-NITROBENZOIC ACID","2516-96-3","O=C(O)c1c(ccc(c1)[N+](=O)[O-])Cl","O=C(O)c1c(ccc(c1)[N+](=O)[O-])Cl","O=C(O)c1c(ccc(c1)[N+](=O)[O-])Cl","O=C(O)c1c(ccc(c1)[N+](=O)[O-])Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3228,2323,"FURAZAN, DIMETHYL-, 2-OXIDE","2518-42-5","Cc1c([n+](on1)[O-])C","Cc1c([n+](on1)[O-])C",null,"Cc1c([n+](on1)[O-])C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3229,1223,"DIBUTYL PHENYL PHOSPHATE","2528-36-1","CCCCOP(=O)(OCCCC)Oc1ccccc1","CCCCOP(=O)(OCCCC)Oc1ccccc1","CCCCOP(=O)(OCCCC)Oc1ccccc1","CCCCOP(=O)(OCCCC)Oc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3230,1280,"2-METHYLPHENANTHRENE","2531-84-2","Cc1cc2c(cc1)c3c(cc2)cccc3","Cc1cc2c(cc1)c3c(cc2)cccc3","Cc1cc2c(cc1)c3c(cc2)cccc3","Cc1cc2c(cc1)c3c(cc2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3231,1274,"CHLORFLURECOL METHYL","2536-31-4","COC(=O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O","COC(=O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O",null,"COC(=O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3232,3364,"tetrachloroguaiacol","2539-17-5","COc1c(c(c(c(c1)Cl)Cl)Cl)OCl","COc1c(c(c(c(c1O)Cl)Cl)Cl)Cl","COc1c(c(c(c(c1O)Cl)Cl)Cl)Cl","COc1c(c(c(c(c1O)Cl)Cl)Cl)Cl",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[3233,2795,"FORMOTHION","2540-82-1","COP(=S)(OC)SCC(=O)N(C)C=O","COP(=S)(OC)SCC(=O)N(C)C=O","COP(=S)(OC)SCC(=O)N(C)C=O","COP(=S)(OC)SCC(=O)N(C)C=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3234,1603,"BENZ[a]ANTHRACENE, 6-FLUORO-7-METHYL-","2541-68-6","Cc1c2c(cc3c1cccc3)c4c(cc2F)cccc4","Cc1c2c(cc3c1cccc3)c4c(cc2F)cccc4","Cc1c2c(cc3c1cccc3)c4c(cc2F)cccc4","Cc1c2c(cc3c1cccc3)c4c(cc2F)cccc4",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3235,null,"benz(a)anthracene-7-methyl","2541-69-7",null,"Cc1c2c(cc3c1cccc3)c4c(cc2)cccc4",null,"Cc1c2c(cc3c1cccc3)c4c(cc2)cccc4",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3236,4150,"Nonanoic acid, 9-oxo-","2553-17-5","O=CCCCCCCCC(=O)O","O=CCCCCCCCC(=O)O","O=CCCCCCCCC(=O)O","O=CCCCCCCCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3237,3905,"Acetamide, 2,2-dichloro-N-phenyl-","2563-99-7","O=C(Nc1ccccc1)C(Cl)Cl","O=C(Nc1ccccc1)C(Cl)Cl","O=C(Nc1ccccc1)C(Cl)Cl",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3238,2493,"1,3-DIOXOLANE, 2-ETHYL-","2568-96-9","CCC1OCCO1","CCC1OCCO1","CCC1OCCO1","CCC1OCCO1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3239,1340,"Tutin","2571-22-4","C=C(C)C1C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O","C=C(C)C1C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O","C=C(C)C1C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O","C=C(C)C1C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3240,null,"ethanediimidamide,n,n''-dihydroxy-","2580-79-2","N=C(N)C(=NO)NO","NC(N=O)=C(N)NO","NC(=NO)C(N)=NO","NC(=NO)C(N)=NO",3,1,0,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[3241,3541,"3-METHYL-4-NITROPHENOL","2581-34-2","Cc1c(ccc(c1)O)[N+](=O)[O-]","Cc1c(ccc(c1)O)[N+](=O)[O-]","Cc1c(ccc(c1)O)[N+](=O)[O-]","Cc1c(ccc(c1)O)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3242,1547,"C.I. DISPERSE ORANGE 1","2581-69-3","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)Nc3ccccc3","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)Nc3ccccc3",null,"O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)Nc3ccccc3",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3243,3947,"Guanidine, 2-benzothiazolyl-","2582-07-2","NC(N)=Nc1sc2c(n1)cccc2","NC(N)=Nc1sc2c(n1)cccc2",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3244,3145,"2-Hexenedioic acid","2583-24-6","O=C(O)C=CCCC(=O)O",null,"O=C(O)C=CCCC(=O)O","O=C(O)C=CCCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","3497"]
[3245,3336,"PHORATE SULFOXIDE","2588-03-6","CCOP(=S)(OCC)SCS(=O)CC","CCOP(=S)(OCC)SCS(=O)CC","CCOP(=S)(OCC)SCS(=O)CC","CCOP(=S)(OCC)SCS(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3246,3340,"PHORATE SULFONE","2588-04-7","CCOP(=S)(OCC)SCS(=O)(=O)CC","CCOP(=S)(OCC)SCS(=O)(=O)CC","CCOP(=S)(OCC)SCS(=O)(=O)CC","CCOP(=S)(OCC)SCS(=O)(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3247,3339,"PHORATE OXON SULFOXIDE","2588-05-8","CCOP(=O)(OCC)SCS(=O)CC","CCOP(=O)(OCC)SCS(=O)CC","CCOP(=O)(OCC)SCS(=O)CC","CCOP(=O)(OCC)SCS(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3248,2612,"etridazole","2593-15-9",null,"CCOc1snc(n1)C(Cl)(Cl)Cl",null,"CCOc1snc(n1)C(Cl)(Cl)Cl",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[3249,221,"MECARBAM","2595-54-2","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3250,663,"FENTHOATE","2597-03-7","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3251,null,"CHIPCOTE","2597-97-9","C[Hg]C#N","C[Hg]C#N","C[Hg]C#N","C[Hg]C#N",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[3252,3233,"Hydroxysimazine","2599-11-3","CCNc1[nH]c(nc(n1)=O)NCC","CCNc1[nH]c(nc(n1)=O)NCC","CCNc1nc(nc(n1)O)NCC","CCNc1nc(nc(n1)O)NCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3253,4320,"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-","2602-36-0","Cc1c(cc(c(n1)C)C(=O)O)C(=O)O","Cc1c(cc(c(n1)C)C(=O)O)C(=O)O","Cc1c(cc(c(n1)C)C(=O)O)C(=O)O","Cc1c(cc(c(n1)C)C(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3254,1682,"ACID RED 18","2611-82-7","O=C1C(c2c(C=C1)cc(S(=O)(=O)O)cc2S(=O)(=O)O)=NNc3c4c(c(cc3)S(=O)(=O)O)cccc4","O=C1C(c2c(C=C1)cc(S(=O)(=O)O)cc2S(=O)(=O)O)=NNc3c4c(c(cc3)S(=O)(=O)O)cccc4","O=S(=O)(O)c1cc2c(c(c1)S(=O)(=O)O)c(N=Nc3c4c(c(cc3)S(=O)(=O)O)cccc4)c(O)cc2","O=S(=O)(O)c1cc2c(c(c1)S(=O)(=O)O)c(N=Nc3c4c(c(cc3)S(=O)(=O)O)cccc4)c(O)cc2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3255,null,"Urea, (2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1","2620-71-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3256,1744,"PERICYAZINE","2622-26-6","N#Cc1cc2c(cc1)Sc3c(N2CCCN4CCC(CC4)O)cccc3","N#Cc1cc2c(cc1)Sc3c(N2CCCN4CCC(CC4)O)cccc3","N#Cc1cc2c(cc1)Sc3c(N2CCCN4CCC(CC4)O)cccc3","N#Cc1cc2c(cc1)Sc3c(N2CCCN4CCC(CC4)O)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3257,45,"P-ACETOXYACETANILIDE","2623-33-8","CC(=O)Nc1ccc(cc1)OC(C)=O","CC(=O)Nc1ccc(cc1)OC(C)=O","CC(=O)Nc1ccc(cc1)OC(C)=O","CC(=O)Nc1ccc(cc1)OC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3258,null,"2,4(1H,3H)-Pteridinedione, 7-hydroxy-1,6-dimethy","2625-22-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3259,65,"2,4(1H,3H)-Pteridinedione, 1,3,6,7-tetramethyl-","2625-25-4","Cc1c(nc2c(n1)c(=O)n(C)c(=O)n2C)C","Cc1c(nc2c(n1)c(=O)n(C)c(=O)n2C)C","Cc1c(nc2c(n1)c(=O)n(C)c(=O)n2C)C","Cc1c(nc2c(n1)c(=O)n(C)c(=O)n2C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3260,661,"3-I-PR-5-MEPHENYL-N-ME CARBAMATE","2631-37-0",null,"CNC(=O)Oc1cc(cc(c1)C)C(C)C","CNC(=O)Oc1cc(cc(c1)C)C(C)C","CNC(=O)Oc1cc(cc(c1)C)C(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3261,435,"ISOPROCARB","2631-40-5","CNC(=O)Oc1c(cccc1)C(C)C","CNC(=O)Oc1c(cccc1)C(C)C","CNC(=O)Oc1c(cccc1)C(C)C","CNC(=O)Oc1c(cccc1)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3262,3371,"Benzaldehyde, 2-hydroxy-3,5-diiodo-","2631-77-8","O=Cc1c(c(cc(c1)I)I)O","O=Cc1c(c(cc(c1)I)I)O","O=Cc1c(c(cc(c1)I)I)O","O=Cc1c(c(cc(c1)I)I)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3263,4134,"4-Pyrimidinamine, 2,6-diethyl-5-methyl-","2635-56-5","CCc1nc(c(c(n1)N)C)CC","CCc1nc(c(c(n1)N)C)CC","CCc1nc(c(c(n1)N)C)CC","CCc1nc(c(c(n1)N)C)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3264,47,"Butanoic acid, 4-nitrophenyl ester","2635-84-9","CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3265,4023,"CYANOPHOS","2636-26-2","COP(=S)(OC)Oc1ccc(cc1)C#N","COP(=S)(OC)Oc1ccc(cc1)C#N","COP(=S)(OC)Oc1ccc(cc1)C#N","COP(=S)(OC)Oc1ccc(cc1)C#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3266,298,"1,2-Naphthalenedione, 1-oxime","2636-79-5","O=C1C(c2c(C=C1)cccc2)=NO","O=Nc1c2c(ccc1O)cccc2","O=C1C(c2c(C=C1)cccc2)=NO","O=C1C(c2c(C=C1)cccc2)=NO",4,0,0,"NO","NO","Mantain","High Reliability","1501"]
[3267,650,"4,4'-Dicyano-4,4'azo-di-valeric acid","2638-94-0","CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O","CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O",null,"CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[3268,648,"AZINPHOS ETHYL","2642-71-9","CCOP(=S)(OCC)SCn1c(c2c(nn1)cccc2)=O","CCOP(=S)(OCC)SCn1c(c2c(nn1)cccc2)=O","CCOP(=S)(OCC)SCn1c(c2c(nn1)cccc2)=O","CCOP(=S)(OCC)SCn1c(c2c(nn1)cccc2)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3269,1542,"6-AMINOCHRYSENE","2642-98-0","Nc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2","Nc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2",null,"Nc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3270,null,"n-me-3,5-dimethylphenylcarbamate","2655-14-3",null,"CNC(=O)Oc1cc(cc(c1)C)C",null,"CNC(=O)Oc1cc(cc(c1)C)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3271,null,"3,5-bis(tert-butyl)phenolmethylcarbamate","2655-19-8","CC(C)(C)c1cc(cc(c1)O)C(C)(C)C","CNC(=O)Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C","CNC(=O)Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C","CNC(=O)Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C",3,1,0,"NO","NO","Manual Check","Verify Name"]
[3272,3931,"1,4-DICHLORO-2,5-DIMETHOXYBENZENE","2675-77-6","COc1c(cc(c(c1)Cl)OC)Cl","COc1c(cc(c(c1)Cl)OC)Cl","COc1c(cc(c(c1)Cl)OC)Cl","COc1c(cc(c(c1)Cl)OC)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3273,2454,".beta.-Alanine, N-methyl-","2679-14-3","CNCCC(=O)O","CNCCC(=O)O",null,"CNCCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3274,1455,"1-LAURYL-2-PYRROLIDONE","2687-96-9","CCCCCCCCCCCCN1C(CCC1)=O","CCCCCCCCCCCCN1C(CCC1)=O",null,"CCCCCCCCCCCCN1C(CCC1)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3275,947,"2-Chlorodiphenyl ether","2689-07-8","Clc1c(cccc1)Oc2ccccc2","Clc1c(cccc1)Oc2ccccc2","Clc1c(cccc1)Oc2ccccc2","Clc1c(cccc1)Oc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3276,null,"phosphorodithioicacid,s-[2-(ethylsulfinyl)ethy","2703-37-9",null,"CCS(=O)CCSP(=S)(OC)OC",null,"CCS(=O)CCSP(=S)(OC)OC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3277,40,"ACETAMIDE, N-(4-ACETYLPHENYL)-","2719-21-3","CC(=O)Nc1ccc(cc1)C(C)=O","CC(=O)Nc1ccc(cc1)C(C)=O","CC(=O)Nc1ccc(cc1)C(C)=O","CC(=O)Nc1ccc(cc1)C(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3278,4229,"2H-1-Benzopyran-2-one, 6-nitro-","2725-81-7","O=c1oc2c(cc1)cc([N+](=O)[O-])cc2","O=c1oc2c(cc1)cc([N+](=O)[O-])cc2","O=c1oc2c(cc1)cc([N+](=O)[O-])cc2","O=c1oc2c(cc1)cc([N+](=O)[O-])cc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3279,3842,"Phosphoric acid, butyl diethyl ester","2737-00-0","CCCCOP(=O)(OCC)OCC","CCCCOP(=O)(OCC)OCC","CCCCOP(=O)(OCC)OCC","CCCCOP(=O)(OCC)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3280,3791,"Leucine, ethyl ester","2743-60-4","CCOC(=O)C(N)CC(C)C","CCOC(=O)C(N)CC(C)C","CCOC(=O)C(N)CC(C)C","CCOC(=O)C(N)CC(C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3281,1788,"N,N'-bis-Phenylacetyl-cystine","2752-39-8","O=C(Cc1ccccc1)NC(CSSCC(NC(=O)Cc2ccccc2)C(=O)O)C(=O)O","O=C(Cc1ccccc1)NC(CSSCC(NC(=O)Cc2ccccc2)C(=O)O)C(=O)O",null,"O=C(Cc1ccccc1)NC(CSSCC(NC(=O)Cc2ccccc2)C(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[3282,null,"ETHYL MERCURY THIOCYANATE-S","2754-57-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3283,577,"DIQUAT","2764-72-9","c1cc-2[n+](cc1)CC[n+]3c2cccc3","c1cc-2[n+](cc1)CC[n+]3c2cccc3","c1cc-2[n+](cc1)CC[n+]3c2cccc3","c1cc-2[n+](cc1)CC[n+]3c2cccc3",4,0,0,"NO","NO","Mantain","High Reliability","550","Differences in counterions"]
[3284,3930,"4,5-Dichloroveratrole","2772-46-5","COc1c(cc(c(c1)Cl)Cl)OC","COc1c(cc(c(c1)Cl)Cl)OC","COc1c(cc(c(c1)Cl)Cl)OC","COc1c(cc(c(c1)Cl)Cl)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3285,4121,"ENDOTHION","2778-04-3","COc1c(cc(oc1)CSP(=O)(OC)OC)=O","COc1c(cc(oc1)CSP(=O)(OC)OC)=O","COc1c(cc(oc1)CSP(=O)(OC)OC)=O","COc1c(cc(oc1)CSP(=O)(OC)OC)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3286,null,"5,5'-Barbituric acid, 5,5'-dihydroxy-1,1'-dimeth","2784-22-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3287,2018,"Phosphonic acid, (1-hydroxyethylidene)bis-","2809-21-4","CC(O)(P(=O)(O)O)P(=O)(O)O","CC(O)(P(=O)(O)O)P(=O)(O)O","CC(O)(P(=O)(O)O)P(=O)(O)O","CC(O)(P(=O)(O)O)P(=O)(O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3288,612,"DINOSEB ACETATE","2813-95-8","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(C)=O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(C)=O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(C)=O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3289,2863,"trans-2,5-Dimethylpiperazine","2815-34-1","CC1NCC(NC1)C","CC1NCC(NC1)C","CC1NCC(NC1)C","CC1NCC(NC1)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3290,2644,"4-Oxo-pent-2-enoic acid","2833-21-8","CC(=O)C=CC(=O)O",null,"CC(=O)C=CC(=O)O","CC(=O)C=CC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3291,484,"Undecanoic acid, 11-bromo-","2834-05-1","O=C(O)CCCCCCCCCCBr","O=C(O)CCCCCCCCCCBr","O=C(O)CCCCCCCCCCBr","O=C(O)CCCCCCCCCCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3292,3997,"BENZENEACETIC ACID, .ALPHA.-AMINO-, (.+-.)-","2835-06-5","NC(C(=O)O)c1ccccc1","NC(C(=O)O)c1ccccc1","NC(C(=O)O)c1ccccc1","NC(C(=O)O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3293,2447,"Butanoic acid, 2-amino-, (.+-.)-","2835-81-6","CCC(N)C(=O)O","CCC(N)C(=O)O",null,"CCC(N)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","497"]
[3294,2028,"1-Chloro-1,2,2,2-Tetrafluoroethane","2837-89-0","FC(Cl)C(F)(F)F","FC(Cl)C(F)(F)F","FC(Cl)C(F)(F)F","FC(Cl)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3295,3509,"M-CHLOROANISOLE","2845-89-8","COc1cc(ccc1)Cl","COc1cc(ccc1)Cl","COc1cc(ccc1)Cl","COc1cc(ccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3296,null,"2,6-anthracenedisulfonicacid,4,8-diamino-9,10-","2861-02-1",null,"Nc1c2c(c(c(c1)S(=O)(=O)O)O)C(c3c(C2=O)c(O)c(S(=O)(=O)O)cc3N)=O",null,"Nc1c2c(c(c(c1)S(=O)(=O)O)O)C(c3c(C2=O)c(O)c(S(=O)(=O)O)cc3N)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3297,2502,"1,3-DIOXOLANE, 2,2-DIMETHYL-","2916-31-6","CC1(OCCO1)C","CC1(OCCO1)C","CC1(OCCO1)C","CC1(OCCO1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3298,4056,"CHLORPYRIFOS","2921-88-2","CCOP(=S)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl","CCOP(=S)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl","CCOP(=S)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3299,3110,"Cyclopentanecarbonitrile, 2-oxo-","2941-29-9","N#CC1C(CCC1)=O","N#CC1C(CCC1)=O","N#CC1C(CCC1)=O","N#CC1C(CCC1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3300,3296,"Carbamic acid, diethylthio-, S-ethyl ester","2941-55-1","CCSC(=O)N(CC)CC","CCSC(=O)N(CC)CC",null,"CCSC(=O)N(CC)CC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3301,null,"Phosphonic acid, phenyl, di-2-propenyl ester","2948-89-2",null,"C=CCOP(=O)(OCC=C)c1ccccc1",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3302,720,"Phosphinic acid, dibutyl-, butyl ester","2950-47-2","CCCCOP(=O)(CCCC)CCCC",null,"CCCCOP(=O)(CCCC)CCCC","CCCCOP(=O)(CCCC)CCCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3303,3502,"3,5-DICHLORO-2,6-DIMETHYL-4-PYRIDINOL","2971-90-6","Cc1c(c(c(c(n1)C)Cl)O)Cl","Cc1c(c(c(c([nH]1)C)Cl)=O)Cl","Cc1c(c(c(c(n1)C)Cl)O)Cl","Cc1c(c(c(c(n1)C)Cl)O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3304,3383,"BENZALDEHYDE, 3-BROMO-4-HYDROXY-","2973-78-6","O=Cc1cc(c(cc1)O)Br","O=Cc1cc(c(cc1)O)Br","O=Cc1cc(c(cc1)O)Br","O=Cc1cc(c(cc1)O)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3305,909,"BIPHENYL, 3,4'-DICHLORO-","2974-90-5","Clc1ccc(cc1)-c2cc(ccc2)Cl","Clc1ccc(cc1)-c2cc(ccc2)Cl","Clc1ccc(cc1)-c2cc(ccc2)Cl","Clc1ccc(cc1)-c2cc(ccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3306,911,"3,4-DICHLOROBIPHENYL","2974-92-7","Clc1c(cc(cc1)-c2ccccc2)Cl","Clc1c(cc(cc1)-c2ccccc2)Cl","Clc1c(cc(cc1)-c2ccccc2)Cl","Clc1c(cc(cc1)-c2ccccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3307,3877,"2,3-DICHLOROPHENOXYACETIC ACID","2976-74-1","O=C(O)COc1c(c(ccc1)Cl)Cl","O=C(O)COc1c(c(ccc1)Cl)Cl","O=C(O)COc1c(c(ccc1)Cl)Cl","O=C(O)COc1c(c(ccc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3308,3222,"Propanoic acid, 2-(acetyloxy)-, ethyl ester","2985-28-6","CCOC(=O)C(C)OC(C)=O","CCOC(=O)C(C)OC(C)=O","CCOC(=O)C(C)OC(C)=O","CCOC(=O)C(C)OC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3309,3461,"Thiocyanic acid, 4-aminophenyl ester","2987-46-4","N#CSc1ccc(cc1)N","N#CSc1ccc(cc1)N","N#CSc1ccc(cc1)N","N#CSc1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3310,3009,"1H-Purin-2-amine, 6-(trifluoromethyl)-","2993-20-6","Nc1[nH]c(c2-c(n1)ncn2)C(F)(F)F","Nc1nc2c(c(n1)C(F)(F)F)[nH]cn2",null,"NC=1N=C(C2C(N1)=NC=N2)C(F)(F)F",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3311,487,"IPATONE","3004-70-4","CCN(CC)c1nc(nc(n1)NC(C)C)OC","CCN(CC)c1nc(nc(n1)NC(C)C)OC","CCN(CC)c1nc(nc(n1)NC(C)C)OC","CCN(CC)c1nc(nc(n1)NC(C)C)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3312,3196,"NORAZINE","3004-71-5","CNc1nc(nc(n1)Cl)NC(C)C","CNc1nc(nc(n1)Cl)NC(C)C","CNc1nc(nc(n1)Cl)NC(C)C","CNc1nc(nc(n1)Cl)NC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3313,3419,"4-FORMYL-2-NITROPHENOL","3011-34-5","O=Cc1cc(c(cc1)O)[N+](=O)[O-]","O=Cc1cc(c(cc1)O)[N+](=O)[O-]","O=Cc1cc(c(cc1)O)[N+](=O)[O-]","O=Cc1cc(c(cc1)O)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3314,2113,"2-BROMO-1-CHLOROPROPANE","3017-95-6","CC(Br)CCl","CC(Br)CCl","CC(Br)CCl","CC(Br)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3315,2315,"Thiocyanic acid, 2-oxopropyl ester","3029-48-9","CC(=O)CSC#N",null,"CC(=O)CSC#N","CC(=O)CSC#N",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3316,2689,"trimethylolethanetrinitrate","3032-55-1","CC(CO)(CO)CO","CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[3317,null,"g-32292(aratone)","3035-45-8",null,"CNc1nc(nc(n1)NC(C)C)OC",null,"CNc1nc(nc(n1)NC(C)C)OC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3318,301,"Brompyrazone","3042-84-0","Nc1c(c(n(nc1)-c2ccccc2)=O)Br","Nc1c(c(n(nc1)-c2ccccc2)=O)Br","Nc1c(c(n(nc1)-c2ccccc2)=O)Br","Nc1c(c(n(nc1)-c2ccccc2)=O)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3319,null,"HEXANEDIOIC ACID, 3-METHYL-; OR 3-methyladipic a","3058-01-3",null,"CC(CCC(=O)O)CC(=O)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Illegal Name"]
[3320,null,"L-Leucine, N-methyl-","3060-46-6","CNC(CC(C)C)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Stereochemistry removed, Checked on PubChem"]
[3321,4053,"METOBROMURON","3060-89-7","CON(C)C(=O)Nc1ccc(cc1)Br","CON(C)C(=O)Nc1ccc(cc1)Br","CON(C)C(=O)Nc1ccc(cc1)Br","CON(C)C(=O)Nc1ccc(cc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3322,3234,"DL-Valine, N-acetyl-","3067-19-4","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","4174, 784","Checked on ChemID, Checked on PubChem"]
[3323,2337,"4-METHYL-2-OXETANONE","3068-88-0","CC1OC(C1)=O","CC1OC(C1)=O","CC1OC(C1)=O","CC1OC(C1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3324,3193,"1,6-Heptadiene","3070-53-9","C=CCCCC=C","C=CCCCC=C","C=CCCCC=C","C=CCCCC=C",4,0,0,"NO","NO","Mantain","High Reliability","2557, 2836"]
[3325,4168,"1,1,3-TRIMETHYLCYCLOHEXANE","3073-66-3","CC1CC(CCC1)(C)C","CC1CC(CCC1)(C)C","CC1CC(CCC1)(C)C","CC1CC(CCC1)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3326,458,"ETHANOL, 2,2'- (4-METHYLPHENYL)IMINO BIS-","3077-12-1",null,"Cc1ccc(cc1)N(CCO)CCO","Cc1ccc(cc1)N(CCO)CCO","Cc1ccc(cc1)N(CCO)CCO",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3327,2662,"Glycine, N-(2-cyanoethyl)-","3088-42-4","N#CCCNCC(=O)O","N#CCCNCC(=O)O","N#CCCNCC(=O)O","N#CCCNCC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3328,2848,"DL-Alloisoleucine","3107-04-8","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","301, 1724, 1789, 3806","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[3329,null,"1-Butanone, 1-(4-fluorophenyl)-4-(4-hydroxy-4-ph","3109-12-4",null,"O=C(CCCN1CCC(CC1)(O)c2ccccc2)c3ccc(cc3)F",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3331,3326,"4,4-DIMETHYL-1-PENTANOL","3121-79-7","CC(C)(C)CCCO","CC(C)(C)CCCO",null,"CC(C)(C)CCCO",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3332,2687,"L-Asparagine, N2-(aminocarbonyl)-","3130-86-7","NC(=O)CC(NC(N)=O)C(=O)O",null,"N=C(O)CC(NC(=N)O)C(=O)O","N=C(O)CC(NC(=N)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[3333,null,"benzamide,n-(3,4-dichlorophenyl)-n-[(dimethylam","3134-12-1",null,"CN(C)C(=O)N(C(=O)c1ccccc1)c2cc(c(cc2)Cl)Cl",null,"CN(C)C(=O)N(C(=O)c1ccccc1)c2cc(c(cc2)Cl)Cl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3334,4346,"Urea, chloro-","3135-74-8","NC(=O)NCl",null,"NC(=O)NCl","NC(=O)NCl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3335,null,"Glycine, N-(N-leucylglycyl)-","3146-41-6","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[3336,3284,"D-glycero-D-gulo-Heptose","3146-50-7","O=CC(O)C(O)C(O)C(O)C(O)CO","O=CC(O)C(O)C(O)C(O)C(O)CO",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[3337,null,"2-cltetramethylmelamine","3146-66-5",null,"C=CCC1(C(NC(NC1=O)=O)=O)CCCC",null,"C=CCC1(C(NC(NC1=O)=O)=O)CCCC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3338,972,"Benzoic acid, 2-hydroxy-5-(phenylazo)-","3147-53-3","O=C(O)c1c(ccc(c1)N=Nc2ccccc2)O","O=C(O)C=1C(C=CC(C1)=NNc2ccccc2)=O","O=C(O)c1c(ccc(c1)N=Nc2ccccc2)O","O=C(O)c1c(ccc(c1)N=Nc2ccccc2)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3339,448,"Phenbutamide","3149-00-6","CCCCNC(=O)NS(=O)(=O)c1ccccc1","CCCCNC(=O)NS(=O)(=O)c1ccccc1","CCCCNC(=O)NS(=O)(=O)c1ccccc1","CCCCNC(=O)NS(=O)(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3340,null,"benzenebutanoicacid,4-methoxy-�-oxo-","3153-44-4",null,"COc1ccc(cc1)C(=O)CCC(=O)O",null,"COc1ccc(cc1)C(=O)CCC(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3341,null,"Butanoic acid, 2-[(aminoiminomethyl)amino]-","3164-99-6","CCC(NC=NN)C(=O)O",null,"CCC(NC(=N)N)C(=O)O","CCC(NC(=N)N)C(=O)O",2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[3342,3378,"2,4,6-Cycloheptatrien-1-one, 5-bromo-2-hydroxy-","3172-00-7","O=c1c(ccc(cc1)Br)O",null,"O=c1c(ccc(cc1)Br)O","O=c1c(ccc(cc1)Br)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3343,3657,"P-METHYLSULFONYLTOLUENE","3185-99-7","Cc1ccc(cc1)S(C)(=O)=O","Cc1ccc(cc1)S(C)(=O)=O","Cc1ccc(cc1)S(C)(=O)=O","Cc1ccc(cc1)S(C)(=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3344,null,"Ethenesulfonamide, N-phenyl-","3192-10-7","C=CS(=O)(=O)Nc1ccccc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3345,667,"1,2,5,6,9,10-HEXABROMOCYCLODODECANE","3194-55-6","BrC1C(CCC(C(CCC(C(CC1)Br)Br)Br)Br)Br","BrC1C(CCC(C(CCC(C(CC1)Br)Br)Br)Br)Br","BrC1C(CCC(C(CCC(C(CC1)Br)Br)Br)Br)Br","BrC1C(CCC(C(CCC(C(CC1)Br)Br)Br)Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3346,null,"Propanoic acid, 2-hydroxy-2-methyl-, propyl este","3196-84-7",{"$nulls":3},"CCCOC(=O)C(C)(C)O",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3347,3781,"Lactic acid, 2-methyl-, isobutyl ester","3196-85-8","CC(C)COC(=O)C(C)(C)O",null,"CC(C)COC(=O)C(C)(C)O","CC(C)COC(=O)C(C)(C)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3348,403,"MORPHOLINE, 4-(2-HYDROXYBENZOYL)-","3202-84-4","O=C(c1c(cccc1)O)N2CCOCC2","O=C(c1c(cccc1)O)N2CCOCC2",null,"O=C(c1c(cccc1)O)N2CCOCC2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3349,null,"Benzoic acid, 2,5-dihydroxy-4-methyl-","3209-15-2","Cc1c(cc(c(c1)O)C(=O)O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3350,2950,"2,3-DICHLORONITROBENZENE","3209-22-1","O=[N+]([O-])c1c(c(ccc1)Cl)Cl","O=[N+]([O-])c1c(c(ccc1)Cl)Cl","O=[N+]([O-])c1c(c(ccc1)Cl)Cl","O=[N+]([O-])c1c(c(ccc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3351,2277,"3-Isoxazolecarboxylic acid","3209-71-0","O=C(O)c1nocc1",null,"O=C(O)c1nocc1","O=C(O)c1nocc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3352,null,"Benzenesulfonamide, 4-amino-N-(4-methoxy-2-pyrim","3213-22-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3353,137,"2-ISOPROPYL-6-METHYLPHENOL","3228-04-4","Cc1c(c(ccc1)C(C)C)O","Cc1c(c(ccc1)C(C)C)O","Cc1c(c(ccc1)C(C)C)O","Cc1c(c(ccc1)C(C)C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3354,2658,"PROPANE, 1,3-DIBROMO-2,2-BIS(BROMOMETHYL)-","3229-00-3","BrCC(CBr)(CBr)CBr","BrCC(CBr)(CBr)CBr","BrCC(CBr)(CBr)CBr","BrCC(CBr)(CBr)CBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3355,3031,"2,5-Furandicarboxylic acid","3238-40-2","O=C(O)c1oc(cc1)C(=O)O","O=C(O)c1oc(cc1)C(=O)O","O=C(O)c1oc(cc1)C(=O)O","O=C(O)c1oc(cc1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3356,null,"tetrapropylthiopyrophosphorate","3244-90-4","CCCOP(=O)(OCCC)OP(=S)(OCCC)OCCC","CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC",null,"CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC",2,1,1,"NO","NO","Manual Check","Verify Name"]
[3357,1123,"1,10-Phenanthroline, 4,7-dimethyl-","3248-05-3","Cc1c2c(ncc1)c3c(cc2)c(C)ccn3","Cc1c2c(ncc1)c3c(cc2)c(C)ccn3","Cc1c2c(ncc1)c3c(cc2)c(C)ccn3","Cc1c2c(ncc1)c3c(cc2)c(C)ccn3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3358,2733,"Peroxide, bis(1-oxopropyl)","3248-28-0","CCC(=O)OOC(=O)CC","CCC(=O)OOC(=O)CC","CCC(=O)OOC(=O)CC","CCC(=O)OOC(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3359,null,"Spiro[benzofuran-2(3H), 1'-[2]cyclohexene]-3,4'-","3260-51-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3360,null,"Spiro[benzofuran-2(3H), 1'-[3]cyclohexene]-2',3-","3260-52-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3361,530,"1,2,3,4,6,7,8,9-OCTACHLORODIBENZO-P-DIOXIN","3268-87-9","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3362,null,"<1-Methyl-propylidene>-succinic acid","3283-26-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3363,1582,"trimethylolpropanetrimethacrylate","3290-92-4","CCC(CO)(CO)CO","C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C","C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C","C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[3364,2472,"1,3-PROPANEDIOL, 2,2-BIS(BRME)-","3296-90-0",null,"OCC(CO)(CBr)CBr","OCC(CO)(CBr)CBr","OCC(CO)(CBr)CBr",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3365,null,"2-Naphthalenecarboxylic acid, 1,4-dihydro-","3299-82-9","O=C(O)C=1Cc2c(CC1)cccc2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[3366,4300,"2-(P-CHLOROPHENOXY)PROPIONIC ACID","3307-39-9","CC(Oc1ccc(cc1)Cl)C(=O)O","CC(Oc1ccc(cc1)Cl)C(=O)O","CC(Oc1ccc(cc1)Cl)C(=O)O","CC(Oc1ccc(cc1)Cl)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3367,null,"2-Oxazolidinone, 3-[[3-(5-nitro-2-furyl)allylide","3318-78-3",null,"O=C1N(CCO1)N=CC=Cc2oc(cc2)[N+](=O)[O-]",null,null,1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Stereochemistry removed, Checked on ChemID"]
[3368,2199,"DIMETHYLGUANIDINE","3324-71-8","CN(C)C(=N)N","CN(C)C(=N)N","CN(C)C(=N)N","CN(C)C(=N)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3369,354,"1-Naphthalenecarboxylic acid, 3,4-dihydro-","3333-23-1","O=C(O)C=1c2c(CCC1)cccc2",null,"O=C(O)C=1c2c(CCC1)cccc2","O=C(O)C=1c2c(CCC1)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3370,3632,"ASULAM","3337-71-1","COC(=O)NS(=O)(=O)c1ccc(cc1)N","COC(=O)NS(=O)(=O)c1ccc(cc1)N","COC(=O)NS(=O)(=O)c1ccc(cc1)N","COC(=O)NS(=O)(=O)c1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3371,3331,"D-glycero-L-gulo-Heptitol","3343-95-1","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","1868, 2810","Stereochemistry removed, Checked on PubChem"]
[3372,3158,"2-Cyclohexen-1-one, oxime, (E)-","3349-62-0","ON=C1CCCC=C1",null,"ON=C1CCCC=C1","ON=C1CCCC=C1",3,0,1,"NO","NO","Mantain","Medium Reliability","3139","Stereochemistry removed"]
[3373,894,"5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL","3380-34-5","Oc1c(ccc(c1)Cl)Oc2c(cc(cc2)Cl)Cl","Oc1c(ccc(c1)Cl)Oc2c(cc(cc2)Cl)Cl","Oc1c(ccc(c1)Cl)Oc2c(cc(cc2)Cl)Cl","Oc1c(ccc(c1)Cl)Oc2c(cc(cc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3374,1435,"TEMEPHOS","3383-96-8","COP(=S)(OC)Oc1ccc(cc1)Sc2ccc(cc2)OP(=S)(OC)OC","COP(=S)(OC)Oc1ccc(cc1)Sc2ccc(cc2)OP(=S)(OC)OC","COP(=S)(OC)Oc1ccc(cc1)Sc2ccc(cc2)OP(=S)(OC)OC",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3375,2654,"1-Butene, 4-isothiocyanato-","3386-97-8","C=CCCN=C=S","C=CCCN=C=S","C=CCCN=C=S","C=CCCN=C=S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3376,null,"Tyrosine, 3,5-dichloro-","3387-87-9","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[3377,2067,"2-CHLORO-4,6-DIAMINO-S-TRIAZINE","3397-62-4","Nc1nc(nc(n1)N)Cl","Nc1nc(nc(n1)N)Cl","Nc1nc(nc(n1)N)Cl","Nc1nc(nc(n1)N)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3378,null,"Propanamide, N,N'-1,2-ethanediylbis-","3403-77-8","CCC(=O)NCCNC(=O)CC",null,null,"CC(CCC(C)C(N)=O)C(N)=O",0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3379,353,"2-Naphthalenecarboxylic acid, 1,2-dihydro-","3408-30-8","O=C(O)C1Cc2c(C=C1)cccc2","O=C(O)C1Cc2c(C=C1)cccc2",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3380,2030,"LIDOFLAZINE","3416-26-0","Cc1c(c(ccc1)C)NC(=O)CN2CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F","Cc1c(c(ccc1)C)NC(=O)CN2CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F","Cc1c(c(ccc1)C)NC(=O)CN2CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F","Cc1c(c(ccc1)C)NC(=O)CN2CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3381,2476,"Pentanediamide","3424-60-0","NC(=O)CCCC(N)=O","NC(=O)CCCC(N)=O","NC(=O)CCCC(N)=O","NC(=O)CCCC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3382,1240,"O,P'-DDE","3424-82-6","ClC(Cl)=C(c1ccc(cc1)Cl)c2c(cccc2)Cl","ClC(Cl)=C(c1ccc(cc1)Cl)c2c(cccc2)Cl","ClC(Cl)=C(c1ccc(cc1)Cl)c2c(cccc2)Cl","ClC(Cl)=C(c1ccc(cc1)Cl)c2c(cccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3383,null,"[1,2,5]Selenadiazolo[3,4-d]pyrimidine-5,7(4H,6H)","3434-54-6",null,"Cn1c(n(c2c(c1=O)n[se]n2)C)=O",null,"Cn1c(n(c2c(c1=O)n[se]n2)C)=O",2,0,2,"NO","NO","Eliminate","-",null,"Unusual elements"]
[3384,2587,"2-Furancarboxylic acid, 4-bromo-","3439-02-9","O=C(O)c1occ(c1)Br",null,"O=C(O)c1occ(c1)Br","O=C(O)c1occ(c1)Br",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3385,4140,"1-NONYNE","3452-09-3","C#CCCCCCCC","C#CCCCCCCC","C#CCCCCCCC","C#CCCCCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3386,null,"D-MANNOSE","3458-28-4","O=CC(O)C(O)C(O)C(O)CO","OCC1C(C(C(C(O1)O)O)O)O","OCC1C(C(C(C(O1)O)O)O)O","OCC1C(C(C(C(O1)O)O)O)O",3,1,0,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[3387,1436,"PIPERALIN","3478-94-2","CC1N(CCCC1)CCCOC(=O)c2cc(c(cc2)Cl)Cl","CC1N(CCCC1)CCCOC(=O)c2cc(c(cc2)Cl)Cl","CC1N(CCCC1)CCCOC(=O)c2cc(c(cc2)Cl)Cl","CC1N(CCCC1)CCCOC(=O)c2cc(c(cc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3388,1342,"Hyenanchin","3484-46-6","C=C(C)C1(C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O)O","C=C(C)C1(C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O)O","C=C(C)C1(C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O)O","C=C(C)C1(C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3389,3849,"QUINOXALINE, 5,6,7,8-TETRACHLORO-","3495-42-9","Clc1c(c2c(c(c1Cl)Cl)nccn2)Cl","Clc1c(c2c(c(c1Cl)Cl)nccn2)Cl","Clc1c(c2c(c(c1Cl)Cl)nccn2)Cl","Clc1c(c2c(c(c1Cl)Cl)nccn2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3390,1953,"Ethanesulfonyl chloride, 1-chloro-","3518-66-9","CC(Cl)S(=O)(=O)Cl",null,"CC(Cl)S(=O)(=O)Cl","CC(Cl)S(=O)(=O)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3391,4193,"2,2,5-TRIMETHYLHEXANE","3522-94-9","CC(C)CCC(C)(C)C","CC(C)CCC(C)(C)C","CC(C)CCC(C)(C)C","CC(C)CCC(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3392,null,"butanedioicacid,mono[2-[(dichloroacetyl)amino]","3544-94-3",null,"O=C(O)CCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-]",null,"O=C(O)CCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-]",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[3393,3294,"Carbamic acid, diethyl-, ethyl ester","3553-80-8","CCOC(=O)N(CC)CC","CCOC(=O)N(CC)CC","CCOC(=O)N(CC)CC","CCOC(=O)N(CC)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3394,103,"4-(SEC-BUTYL)-2-NITROPHENOL","3555-18-8","CCC(C)c1cc(c(cc1)O)[N+](=O)[O-]","CCC(C)c1cc(c(cc1)O)[N+](=O)[O-]","CCC(C)c1cc(c(cc1)O)[N+](=O)[O-]","CCC(C)c1cc(c(cc1)O)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3395,978,"2,4,6-Trihydroxybenzophenone","3555-86-0","O=C(c1ccccc1)c2c(cc(cc2O)O)O","O=C(c1ccccc1)c2c(cc(cc2O)O)O","O=C(c1ccccc1)c2c(cc(cc2O)O)O","O=C(c1ccccc1)c2c(cc(cc2O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3396,null,"n-mecarbamate,3-me-4-mesphenyl","3566-00-5",null,"CNC(=O)Oc1cc(c(cc1)SC)C",null,"CNC(=O)Oc1cc(c(cc1)SC)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3397,682,"Di-D-fructofuranose 1,2':2,1'-dianhydride","3568-49-8","OCC1C(C(C2(O1)OCC3(OC2)C(C(C(O3)CO)O)O)O)O","OCC1C(C(C2(O1)OCC3(OC2)C(C(C(O3)CO)O)O)O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[3398,null,"sulfanilamide,n1-(5-isobutyl-1,3,4-thiadiazol-2","3571-94-6",null,"CC(C)Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",null,"CC(C)Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3399,null,"2-amino-3,5-dibromo-N-cyclohexyl-N-methylbenzene","3572-43-8",null,"CN(Cc1c(c(cc(c1)Br)Br)N)C2CCCCC2",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3400,1477,"chlorphenoxamide","3576-64-5","O=C(C(Cl)Cl)N(CCO)Cc1ccc(cc1)Oc2ccc(cc2)[N+](=O)[O-]","O=C(C(Cl)Cl)N(CCO)Cc1ccc(cc1)Oc2ccc(cc2)[N+](=O)[O-]","CN(C)CCOC(C)(c1ccccc1)c2ccc(cc2)Cl","O=C(C(Cl)Cl)N(CCO)Cc1ccc(cc1)Oc2ccc(cc2)[N+](=O)[O-]",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[3401,696,"Propanedioic acid, nonyl-","3578-47-0","CCCCCCCCCC(C(=O)O)C(=O)O",null,"CCCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCCC(C(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3402,3095,"2,4-HEXADIENEDIOIC ACID, (E,E)-","3588-17-8","O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1934","Stereochemistry removed"]
[3403,3852,"2-CF3-4,5-DICHLOROBENZIMIDAZOLE","3615-21-2",null,"FC(F)(F)c1[nH]c2c(n1)c(Cl)c(Cl)cc2","FC(F)(F)c1[nH]c2c(n1)c(Cl)c(Cl)cc2","FC(F)(F)c1[nH]c2c(n1)c(Cl)c(Cl)cc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3404,1184,"REPOSAL","3625-25-0","CCC1(C(NC(NC1=O)=O)=O)C=2CC3CCC(C2)C3","CCC1(C(NC(NC1=O)=O)=O)C=2CC3CCC(C2)C3","CCC1(C(=NC(N=C1O)=O)O)C=2CC3CCC(C2)C3","CCC1(C(=NC(N=C1O)=O)O)C=2CC3CCC(C2)C3",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3405,2828,"Butanoic acid, 2-ethyl-2-hydroxy-","3639-21-2","CCC(O)(CC)C(=O)O","CCC(O)(CC)C(=O)O","CCC(O)(CC)C(=O)O","CCC(O)(CC)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3406,2681,"Butanedioic acid, methyl-, (R)-","3641-51-8","CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1901","Stereochemistry removed"]
[3407,2855,"D-Gluconic acid, 2-amino-2-deoxy-","3646-68-2","NC(C(=O)O)C(O)C(O)C(O)CO","NC(C(=O)O)C(O)C(O)C(O)CO","NC(C(=O)O)C(O)C(O)C(O)CO","NC(C(=O)O)C(O)C(O)C(O)CO",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3408,1326,"Benzeneethanamine, N-(phenylmethyl)-","3647-71-0","c1ccc(cc1)CCNCc2ccccc2","c1ccc(cc1)CCNCc2ccccc2","c1ccc(cc1)CCNCc2ccccc2","c1ccc(cc1)CCNCc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3409,95,"4-ETHYLACETANILIDE","3663-34-1","CCc1ccc(cc1)NC(C)=O","CCc1ccc(cc1)NC(C)=O","CCc1ccc(cc1)NC(C)=O","CCc1ccc(cc1)NC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3410,501,"Undecanoic acid, 11-hydroxy-","3669-80-5","O=C(O)CCCCCCCCCCO","O=C(O)CCCCCCCCCCO","O=C(O)CCCCCCCCCCO","O=C(O)CCCCCCCCCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3411,null,"Spiro[benzofuran-2(3H), 1'-[2]cyclohexene]-3,4'-","3680-32-8",null,"COC=1C2(C(CC(C1)=O)C)C(c3c(O2)cc(OC)cc3OC)=O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3412,2728,"Butanal, 3-ethoxy-2-oxo-","3688-37-7","CCOC(C)C(=O)C=O","CCOC(C)C(=O)C=O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3413,3845,"SULFOTEPP","3689-24-5","CCOP(=S)(OCC)OP(=S)(OCC)OCC","CCOP(=S)(OCC)OP(=S)(OCC)OCC","CCOP(=S)(OCC)OP(=S)(OCC)OCC","CCOP(=S)(OCC)OP(=S)(OCC)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3414,1818,"CHLOROPHACINONE","3691-35-8","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccc(cc4)Cl","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccc(cc4)Cl","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccc(cc4)Cl","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccc(cc4)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3415,1604,"5-METHYLCHRYSENE","3697-24-3","Cc1c2c(c3c(c1)cccc3)ccc4c2cccc4","Cc1c2c(c3c(c1)cccc3)ccc4c2cccc4","Cc1c2c(c3c(c1)cccc3)ccc4c2cccc4","Cc1c2c(c3c(c1)cccc3)ccc4c2cccc4",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3416,1686,"5,6-DIMETHYLCHRYSENE","3697-27-6","Cc1c2c(c3c(c1C)c4c(cccc4)cc3)cccc2","Cc1c2c(c3c(c1C)c4c(cccc4)cc3)cccc2","Cc1c2c(c3c(c1C)c4c(cccc4)cc3)cccc2","Cc1c2c(c3c(c1C)c4c(cccc4)cc3)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3417,1688,"7-ETHYLBENZ(A)ANTHRACENE","3697-30-1","CCc1c2c(cc3c1cccc3)c4c(cc2)cccc4","CCc1c2c(cc3c1cccc3)c4c(cc2)cccc4","CCc1c2c(cc3c1cccc3)c4c(cc2)cccc4","CCc1c2c(cc3c1cccc3)c4c(cc2)cccc4",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3418,3136,"1,3-BENZENEDISULFONAMIDE","3701-01-7","NS(=O)(=O)c1cc(ccc1)S(N)(=O)=O","NS(=O)(=O)c1cc(ccc1)S(N)(=O)=O","NS(=O)(=O)c1cc(ccc1)S(N)(=O)=O","NS(=O)(=O)c1cc(ccc1)S(N)(=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3419,3603,"3,5-DIMETHYLPYRIDINE-N-OXIDE","3718-65-8","Cc1c[n+](cc(c1)C)[O-]","Cc1c[n+](cc(c1)C)[O-]","Cc1c[n+](cc(c1)C)[O-]","Cc1c[n+](cc(c1)C)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3420,2333,"CROTONIC ACID","3724-65-0","CC=CC(=O)O","CC=CC(=O)O","CC=CC(=O)O","CC=CC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1060, 1925","Stereochemistry removed"]
[3421,3130,"2-PYRIDINEMETHANEAMINE","3731-51-9","NCc1ncccc1","NCc1ncccc1","NCc1ncccc1","NCc1ncccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3422,3129,"4-PYRIDINEMETHANEAMINE","3731-53-1","NCc1ccncc1","NCc1ccncc1","NCc1ccncc1","NCc1ccncc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3423,202,"Cyanthoate","3734-95-0","CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N","CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N","CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N","CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3424,null,"parathion-amino","3735-01-1",null,"CCOP(=S)(OCC)Oc1ccc(cc1)N",null,"CCOP(=S)(OCC)Oc1ccc(cc1)N",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3425,1859,"Benzo[a]naphth[2,3-h]acridine-5,8,13(14H)-trione","3737-76-6","O=C1c2c(C(c3c1cccc3)=O)c4c(cc2)c(=O)c5c6c(ccc5[nH]4)cccc6","O=C1c2c(C(c3c1cccc3)=O)c4c(cc2)c(=O)c5c6c(ccc5[nH]4)cccc6","O=C1c2c(C(c3c1cccc3)=O)c4c(cc2)c(O)c5c6c(ccc5n4)cccc6","O=C1c2c(C(c3c1cccc3)=O)c4c(cc2)c(O)c5c6c(ccc5n4)cccc6",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3426,271,"FENCLORIM","3740-92-9","Clc1nc(nc(c1)Cl)-c2ccccc2","Clc1nc(nc(c1)Cl)-c2ccccc2","Clc1nc(nc(c1)Cl)-c2ccccc2","Clc1nc(nc(c1)Cl)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3427,214,"CYCLOPENTANE, PENTYL-","3741-00-2","CCCCCC1CCCC1","CCCCCC1CCCC1","CCCCCC1CCCC1","CCCCCC1CCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3428,1969,"1,3,2-Dioxathiolane, 2-oxide","3741-38-6","O=S1OCCO1","O=S1OCCO1","O=S1OCCO1","O=S1OCCO1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3429,null,"Bicyclo[2.2.1]heptan-2-one, 7-(hydroxymethyl)-1,","3751-95-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3430,588,"BUTURON","3766-60-7","C#CC(C)N(C)C(=O)Nc1ccc(cc1)Cl","C#CC(C)N(C)C(=O)Nc1ccc(cc1)Cl","C#CC(C)N(C)C(=O)Nc1ccc(cc1)Cl","C#CC(C)N(C)C(=O)Nc1ccc(cc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3431,null,"n-methylo-sec-butylphenylcarbamate","3766-81-2",null,"CCC(C)c1c(cccc1)OC(=O)NC",null,"CCC(C)c1c(cccc1)OC(=O)NC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3432,1505,"DIS. A. 2","3771-38-8","Cc1c(ccc(c1)N(CCO)CCO)N=Nc2ccccc2","Cc1c(ccc(c1)N(CCO)CCO)N=Nc2ccccc2",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on ChemID"]
[3433,617,"SULFAMETHOMIDINE","3772-76-7","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3434,null,"POTASSIUM CHLORATE","3811-04-9","[O-][Cl+2]([O-])[O-]","[O-][Cl+2]([O-])[O-]","[O-][Cl+2]([O-])[O-]","[O-][Cl+2]([O-])[O-]",4,0,0,"NO","NO","Eliminate","-",null,"Inorganic"]
[3435,4003,"SALITHION","3811-49-2","COP1(Oc2c(CO1)cccc2)=S","COP1(Oc2c(CO1)cccc2)=S","COP1(Oc2c(CO1)cccc2)=S","COP1(Oc2c(CO1)cccc2)=S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3436,4234,"BENAZOLIN","3813-05-6","O=C(O)Cn1c2c(sc1=O)cccc2Cl","O=C(O)Cn1c2c(sc1=O)cccc2Cl","O=C(O)Cn1c2c(sc1=O)cccc2Cl","O=C(O)Cn1c2c(sc1=O)cccc2Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3437,2184,"Propanedioic acid, dihydrazide","3815-86-9","NNC(=O)CC(=O)NN","NNC(=O)CC(=O)NN","NNC(=O)CC(=O)NN","NNC(=O)CC(=O)NN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3438,1625,"Glafenine","3820-67-5","O=C(OCC(O)CO)c1c(cccc1)Nc2c3c(ncc2)cc(Cl)cc3","O=C(OCC(O)CO)c1c(cccc1)Nc2c3c(ncc2)cc(Cl)cc3","O=C(OCC(O)CO)c1c(cccc1)Nc2c3c(ncc2)cc(Cl)cc3","O=C(OCC(O)CO)c1c(cccc1)Nc2c3c(ncc2)cc(Cl)cc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3439,2913,"2-Butanamine, 3,3-dimethyl-","3850-30-4","CC(N)C(C)(C)C","CC(N)C(C)(C)C","CC(N)C(C)(C)C","CC(N)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3440,2510,"Propanoic acid, 3-methoxy-, methyl ester","3852-09-3","COCCC(=O)OC","COCCC(=O)OC","COCCC(=O)OC","COCCC(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3441,2869,"D-Gluconic acid, hydrazide","3868-12-0","NNC(=O)C(O)C(O)C(O)C(O)CO","NNC(=O)C(O)C(O)C(O)C(O)CO",null,"NNC(=O)C(O)C(O)C(O)C(O)CO",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[3442,516,"FUBERIDAZOLE","3878-19-1","c1cc(oc1)-c2[nH]c3c(n2)cccc3","c1cc(oc1)-c2[nH]c3c(n2)cccc3","c1cc(oc1)-c2[nH]c3c(n2)cccc3","c1cc(oc1)-c2[nH]c3c(n2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3443,1446,"D-GLUCOSE, 2,3,4,5,6-PENTAACETATE","3891-59-6","CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O","CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O","CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O","CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3444,null,"Hydantoin, 1-[[3-(5-nitro-2-furyl)allylidene]ami","3912-28-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3445,901,"10H-Phenothiazine, 3-bromo-","3939-23-9","Brc1cc2c(cc1)Nc3c(S2)cccc3","Brc1cc2c(cc1)Nc3c(S2)cccc3","Brc1cc2c(cc1)Nc3c(S2)cccc3","Brc1cc2c(cc1)Nc3c(S2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3446,925,"Phenothiazine, 3-iodo-","3939-24-0","Ic1cc2c(cc1)Nc3c(S2)cccc3",null,"Ic1cc2c(cc1)Nc3c(S2)cccc3","Ic1cc2c(cc1)Nc3c(S2)cccc3",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3447,2773,"1,2-BIS(2-CHLOROETHYLSULFONYL)ETHANE","3944-87-4","O=S(=O)(CCCl)CCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCS(=O)(=O)CCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3448,1617,"Alizarin complexone","3952-78-1","O=C(O)CN(CC(=O)O)Cc1c(c(c2c(c1)C(c3c(C2=O)cccc3)=O)O)O","O=C(O)CN(CC(=O)O)Cc1c(c(c2c(c1)C(c3c(C2=O)cccc3)=O)O)O","O=C(O)CN(CC(=O)O)Cc1c(c(c2c(c1)C(c3c(C2=O)cccc3)=O)O)O","O=C(O)CN(CC(=O)O)Cc1c(c(c2c(c1)C(c3c(C2=O)cccc3)=O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3449,3909,"Benzoic acid, 3-chloro-4-hydroxy-, methyl ester","3964-57-6","COC(=O)c1cc(c(cc1)O)Cl","COC(=O)c1cc(c(cc1)O)Cl","COC(=O)c1cc(c(cc1)O)Cl","COC(=O)c1cc(c(cc1)O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3450,3318,"2,2-DIMETHYL-3-PENTANOL","3970-62-5","CCC(O)C(C)(C)C","CCC(O)C(C)(C)C","CCC(O)C(C)(C)C","CCC(O)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3451,2304,"Butanedioic acid, chloro-, (R)-","3972-40-5","O=C(O)CC(Cl)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Mantain","Medium Reliability","4092, 3470","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[3452,4151,"Propanedioic acid, hexyl-","3974-36-5","CCCCCCC(C(=O)O)C(=O)O","CCCCCCC(C(=O)O)C(=O)O",null,"CCCCCCC(C(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3453,3859,"2,3,6-Trichlorophenoxyacetic acid","4007-00-5","O=C(O)COc1c(c(ccc1Cl)Cl)Cl","O=C(O)COc1c(c(ccc1Cl)Cl)Cl","O=C(O)COc1c(c(ccc1Cl)Cl)Cl","O=C(O)COc1c(c(ccc1Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3454,null,"Glycolic acid, methyl ester, nitrate","4059-62-5","COC(=O)CO",null,"COC(=O)CO[N+](=O)[O-]","COC(=O)CO[N+](=O)[O-]",2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[3455,null,"5-benzoyl-4-hydroxy-2-methoxy-benzenesulfonicac","4065-45-6",null,"COc1c(cc(c(c1)O)C(=O)c2ccccc2)S(=O)(=O)O",null,"COc1c(cc(c(c1)O)C(=O)c2ccccc2)S(=O)(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3456,4027,"Ethanone, 2-methoxy-1-phenyl-","4079-52-1","COCC(=O)c1ccccc1","COCC(=O)c1ccccc1","COCC(=O)c1ccccc1","COCC(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3457,null,"n-(3-chlorallyl)hexaminiumchloride","4080-31-3",null,"ClC=CC[N+]12CN3CN(CN(C1)C3)C2",null,"ClC=CC[N+]12CN3CN(CN(C1)C3)C2",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[3458,36,"1,3,5-Triazine-2,4-diamine, N-(phenylmethyl)-","4086-63-9","Nc1nc(ncn1)NCc2ccccc2","Nc1nc(ncn1)NCc2ccccc2","Nc1nc(ncn1)NCc2ccccc2","Nc1nc(ncn1)NCc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3459,2405,"2-BUTEN-1-OL (CIS)","4088-60-2","CC=CCO","CC=CCO","CC=CCO","CC=CCO",4,0,0,"NO","NO","Mantain","High Reliability","1423, 3702","Stereochemistry removed"]
[3460,1915,"Ethane, 2-chloro-1,1,1-trinitro-","4100-02-1","O=[N+]([O-])C(CCl)([N+](=O)[O-])[N+](=O)[O-]",null,"O=[N+]([O-])C(CCl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(CCl)([N+](=O)[O-])[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3461,699,"Butanedioic acid, tetraethyl-","4111-60-8","CCC(CC)(C(=O)O)C(CC)(CC)C(=O)O",null,null,"CCC(CC)(C(=O)O)C(CC)(CC)C(=O)O",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[3462,3778,"Propanoic acid, 3-butoxy-, methyl ester","4126-55-0","CCCCOCCC(=O)OC",null,"CCCCOCCC(=O)OC","CCCCOCCC(=O)OC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3463,3801,"dl-2-Octanol","4128-31-8",null,"CCCCCCC(C)O","CCCCCCC(C)O","CCCCCCC(C)O",3,0,1,"NO","NO","Mantain","Medium Reliability","1433, 3710"]
[3464,490,"DIPROPETRYNE","4147-51-7","CCSc1nc(nc(n1)NC(C)C)NC(C)C","CCSc1nc(nc(n1)NC(C)C)NC(C)C","CCSc1nc(nc(n1)NC(C)C)NC(C)C","CCSc1nc(nc(n1)NC(C)C)NC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3465,2401,"N-NITROMORPHOLINE","4164-32-3","O=[N+]([O-])N1CCOCC1","O=[N+]([O-])N1CCOCC1","O=[N+]([O-])N1CCOCC1","O=[N+]([O-])N1CCOCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3466,2330,"CROTONALDEHYDE","4170-30-3","CC=CC=O","CC=CC=O","CC=CC=O","CC=CC=O",4,0,0,"NO","NO","Mantain","High Reliability","1424","Stereochemistry removed"]
[3467,null,"Glucopyranose, 2-(N4-acetylsulfanilamido)-2-deox","4181-03-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3468,48,"Propanoic acid, 2-methyl-, 4-nitrophenyl ester","4195-16-8","CC(C)C(=O)Oc1ccc(cc1)[N+](=O)[O-]",null,"CC(C)C(=O)Oc1ccc(cc1)[N+](=O)[O-]","CC(C)C(=O)Oc1ccc(cc1)[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3469,3779,"Propanoic acid, 3-methoxy-, butyl ester","4195-88-4","CCCCOC(=O)CCOC","CCCCOC(=O)CCOC","CCCCOC(=O)CCOC","CCCCOC(=O)CCOC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3470,2304,"Butanedioic acid, chloro-, (S)-","4198-33-8","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","4092, 3451","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[3471,898,"1,10-PHENANTHROLINE, 5-NITRO-","4199-88-6","O=[N+]([O-])c1c2c(c3c(c1)cccn3)nccc2","O=[N+]([O-])c1c2c(c3c(c1)cccn3)nccc2","O=[N+]([O-])c1c2c(c3c(c1)cccn3)nccc2","O=[N+]([O-])c1c2c(c3c(c1)cccn3)nccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3472,3132,"2,4(1H,3H)-Pyrimidinedione, 5-ethyl-","4212-49-1","CCc1c([nH]c([nH]c1)=O)=O","CCc1c([nH]c([nH]c1)=O)=O","CCc1c([nH]c([nH]c1)=O)=O","CCc1c([nH]c([nH]c1)=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3473,2700,"L-Aspartic acid, N-methyl-","4226-18-0","CNC(CC(=O)O)C(=O)O","CNC(CC(=O)O)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[3474,2531,"O-T-BUTYL CARBAMATE","4248-19-5","CC(C)(C)OC(N)=O","CC(C)(C)OC(N)=O",null,"CC(C)(C)OC(N)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3475,562,"9H-PURIN-6-AMINE, 9-(PHENYLMETHYL)-","4261-14-7","Nc1c2c(ncn1)n(cn2)Cc3ccccc3","Nc1c2c(ncn1)n(cn2)Cc3ccccc3","Nc1c2c(ncn1)n(cn2)Cc3ccccc3","Nc1c2c(ncn1)n(cn2)Cc3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3476,3735,"ethanol,2,2'-thiobis-,diacetate","4275-28-9","OCCSCCO","CC(=O)OCCSCCOC(C)=O","CC(=O)OCCSCCOC(C)=O","CC(=O)OCCSCCOC(C)=O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[3477,1389,"Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis-","4281-16-7","O=C(O)c1c(cccc1)CC(=O)c2c(cccc2)C(=O)O","O=C(O)c1c(cccc1)CC(=O)c2c(cccc2)C(=O)O","O=C(O)c1c(cccc1)CC(=O)c2c(cccc2)C(=O)O","O=C(O)c1c(cccc1)CC(=O)c2c(cccc2)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3478,3288,"1-IODOHEPTANE","4282-40-0","CCCCCCCI","CCCCCCCI","CCCCCCCI","CCCCCCCI",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3479,3870,"1,3-Benzenedicarboxylic acid, 4-nitro-","4315-09-7","O=C(O)c1cc(c(cc1)[N+](=O)[O-])C(=O)O",null,"O=C(O)c1cc(c(cc1)[N+](=O)[O-])C(=O)O","O=C(O)c1cc(c(cc1)[N+](=O)[O-])C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3480,943,"4-CHLOROAZOBENZENE","4340-77-6","Clc1ccc(cc1)N=Nc2ccccc2","Clc1ccc(cc1)N=Nc2ccccc2",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3481,null,"2H-1,3-Oxazin-2-one, tetrahydro-3-[(5-nitrofurfu","4341-15-5",null,"O=C1N(CCCO1)N=Cc2oc(cc2)[N+](=O)[O-]",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[3482,933,"naphtho[2,1-b]furan-2(1)h-one","4352-63-0",null,"O=C1Oc2c(C1)c3c(cc2)cccc3",null,"O=C1Oc2c(C1)c3c(cc2)cccc3",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[3483,1707,"AJMALINE","4360-12-7","CCC1C(N2C3CC1C4C2CC5(C3N(C)c6c5cccc6)C4O)O","CCC1C(N2C3CC1C4C2CC5(C3N(C)c6c5cccc6)C4O)O","CCC1C(N2C3CC1C4C2CC5(C3N(C)c6c5cccc6)C4O)O","CCC1C(N2C3CC1C4C2CC5(C3N(C)c6c5cccc6)C4O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3484,1073,"DECYLPROPANEDIOIC ACID","4372-29-6","CCCCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCCCC(C(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3485,2466,"Butanoic acid, 4-phosphono-","4378-43-2","O=C(O)CCCP(=O)(O)O","O=C(O)CCCP(=O)(O)O","O=C(O)CCCP(=O)(O)O","O=C(O)CCCP(=O)(O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3486,3652,"BENZENEMETHANOL, 2-HYDROXY-5-METHYL-","4383-07-7","Cc1cc(c(cc1)O)CO","Cc1cc(c(cc1)O)CO","Cc1cc(c(cc1)O)CO","Cc1cc(c(cc1)O)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3487,3142,"Hexanoic acid, 2,4-dioxo-","4383-93-1","CCC(=O)CC(=O)C(=O)O",null,"CCC(=O)CC(=O)C(=O)O","CCC(=O)CC(=O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3488,null,"1h-pyrrole-2-carboxylicacid,4-ethyl-5-formyl-3","4391-87-1",null,"CCOC(=O)c1c(c(c([nH]1)C=O)CC)C",null,"CCOC(=O)c1c(c(c([nH]1)C=O)CC)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3489,1091,"Niflumic acid","4394-00-7","O=C(O)c1c(nccc1)Nc2cc(ccc2)C(F)(F)F","O=C(O)c1c(nccc1)Nc2cc(ccc2)C(F)(F)F","O=C(O)c1c(nccc1)Nc2cc(ccc2)C(F)(F)F","O=C(O)c1c(nccc1)Nc2cc(ccc2)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3490,3743,"2-PROPANONE, 1-(2-PIPERIDINYL)-","4396-01-4","CC(=O)CC1NCCCC1","CC(=O)CC1NCCCC1",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3491,1989,"PHOSPHONOACETIC ACID","4408-78-0","O=C(O)CP(=O)(O)O","O=C(O)CP(=O)(O)O","O=C(O)CP(=O)(O)O","O=C(O)CP(=O)(O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3492,2722,"2-Butenoic acid, 2,3-dimethyl-","4411-97-6","CC(C)=C(C)C(=O)O",null,"CC(C)=C(C)C(=O)O","CC(C)=C(C)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3493,4352,"5-AMINO-1H-TETRAZOLE","4418-61-5","Nc1[nH]nnn1","Nc1n[nH]nn1","Nc1[nH]nnn1","Nc1[nH]nnn1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3494,138,"Phenol, 4-methyl-2-(1-methylethyl)-","4427-56-9","Cc1cc(c(cc1)O)C(C)C","Cc1cc(c(cc1)O)C(C)C","Cc1cc(c(cc1)O)C(C)C","Cc1cc(c(cc1)O)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3495,2313,"3,5-Morpholinedione","4430-05-1","O=C1NC(COC1)=O",null,"O=C1NC(COC1)=O","O=C1NC(COC1)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3496,3281,"3-METHOXYBUTYL ACETATE","4435-53-4","COC(C)CCOC(C)=O","COC(C)CCOC(C)=O","COC(C)CCOC(C)=O","COC(C)CCOC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3497,3145,"Hex-3-ene-dioic acid","4436-74-2","O=C(O)CC=CCC(=O)O","O=C(O)CC=CCC(=O)O",null,"O=C(O)CC=CCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","3244","Stereochemistry removed"]
[3498,2780,"3,4-Hexanedione, dioxime","4437-52-9","CCC(=NO)C(CC)=NO","CCC(N=O)=C(CC)NO","CCC(=NO)C(CC)=NO","CCC(=NO)C(CC)=NO",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3499,null,"morpholine,4,4',4''-phosphinylidynetris-","4441-12-7",null,"O=P(N1CCOCC1)(N2CCOCC2)N3CCOCC3",null,"O=P(N1CCOCC1)(N2CCOCC2)N3CCOCC3",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3500,null,"Cyclohexanepropanoic acid, .alpha.-amino-4-hydro","4441-51-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3501,3724,"Cyclohexaneacetic acid, .alpha.-hydroxy-","4442-94-8","O=C(O)C(O)C1CCCCC1","O=C(O)C(O)C1CCCCC1",null,"O=C(O)C(O)C1CCCCC1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3502,3731,"Hexanedioic acid, 2,5-dimethyl-","4454-18-6","CC(CCC(C)C(=O)O)C(=O)O","CC(CCC(C)C(=O)O)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3503,null,"benzenesulfonamide,4-amino-n-(4,5-dimethyl-2-py","4462-43-5",null,"Cc1c(nc(nc1)NS(=O)(=O)c2ccc(cc2)N)C",null,"Cc1c(nc(nc1)NS(=O)(=O)c2ccc(cc2)N)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3504,null,"Acetamide, N-[4-[[(6-chloro-3-pyridazinyl)amino]","4489-33-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3505,3756,"1,1,3-TRIMETHYLCYCLOPENTANE","4516-69-2","CC1CC(CC1)(C)C","CC1CC(CC1)(C)C","CC1CC(CC1)(C)C","CC1CC(CC1)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3506,2660,"Piperazine-2,5-dione, 3-methyl-","4526-77-6","CC1C(NCC(N1)=O)=O","CC1C(NCC(N1)=O)=O","CC1C(=NCC(=N1)O)O","CC1C(=NCC(=N1)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3507,null,"N-NITROSOMETHYLVINYLAMINE","4549-40-0","NC=CCN=O","C=CN(C)N=O","C=CN(C)CN=O","C=CN(C)CN=O",2,2,0,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3508,2864,"n-nitrosoethyl-n-butylamine","4549-44-4","CCCCNCCN=O","CCCCN(CC)N=O","CCCCN(CC)N=O","CCCCN(CC)N=O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[3509,2287,"4-PYRIMIDONE","4562-27-0","O=c1[nH]cncc1","O=c1[nH]cncc1","O=c1nc[nH]cc1","O=c1nc[nH]cc1",4,0,0,"NO","NO","Mantain","High Reliability","4826"]
[3510,null,"3(2h)-pyridazinone,4,5-dihydro-6-methyl-2-pheny","4578-58-9",null,"CC=1CCC(N(N1)c2ccccc2)=O",null,"CC=1CCC(N(N1)c2ccccc2)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3511,null,"2,4,6-Cycloheptatrien-1-one, 3,7-dibromo-2-hydro","4584-66-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3512,3379,"2,4,6-Cycloheptatrien-1-one, 3-bromo-2-hydroxy-","4584-68-3","O=c1c(c(cccc1)Br)O","O=c1c(c(cccc1)Br)O","O=c1c(c(cccc1)Br)O","O=c1c(c(cccc1)Br)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3513,2677,"ETHANONE, 1-(2-METHYLOXIRANYL)-","4587-00-2","CC(=O)C1(OC1)C","CC(=O)C1(OC1)C","CC(=O)C1(OC1)C","CC(=O)C1(OC1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3514,2697,"Glycine, N-[(ethylthio)thioxomethyl]-","4596-56-9","CCSC(=S)NCC(=O)O",null,"CCSC(=S)NCC(=O)O","CCSC(=S)NCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3515,null,"Benzeneacetic acid, .alpha.-hydroxy-4-(1-methyle","4607-63-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3516,692,"LACTULOSE","4618-18-2","OCC1C(C(C(C(O1)OC2C(C(OC2CO)(O)CO)O)O)O)O","OCC1C(C(C(C(O1)OC2C(C(OC2CO)(O)CO)O)O)O)O","OCC1C(C(C(C(O1)OC2C(C(OC2CO)(O)CO)O)O)O)O","OCC1C(C(C(C(O1)OC2C(C(OC2CO)(O)CO)O)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3517,null,"2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydro","4636-40-2",{"$nulls":3},"O=c1c(c(cc(cc1)Br)Br)O",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3518,null,"2,4,6-Cycloheptatrien-1-one, 3,7-dibromo-2-hydro","4636-41-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3519,2852,"Carbamic acid, diethyl-, methyl ester","4652-44-2","CCN(CC)C(=O)OC","CCN(CC)C(=O)OC","CCN(CC)C(=O)OC","CCN(CC)C(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3520,1135,"1-Naphthalenebutanoic acid, .gamma.-oxo-","4653-13-8","O=C(O)CCC(=O)c1c2c(ccc1)cccc2","O=C(O)CCC(=O)c1c2c(ccc1)cccc2",null,"O=C(O)CCC(=O)c1c2c(ccc1)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3521,3187,"AZIPROTRYNE","4658-28-0","CSc1nc(nc(n1)N=[N+]=[N-])NC(C)C","CSc1nc(nc(n1)N=[N+]=[N-])NC(C)C","CSc1nc(nc(n1)N=[N+]=[N-])NC(C)C","CSc1nc(nc(n1)N=[N+]=[N-])NC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3522,607,"PARAQUAT ION","4685-14-7","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","C[n+]1ccc(cc1)-c2cc[n+](cc2)C",4,0,0,"NO","NO","Mantain","High Reliability","3018"]
[3523,168,"d-Fenchone","4695-62-9","CC12CC(CC1)C(C)(C)C2=O","CC12CC(CC1)C(C)(C)C2=O","CC12CC(CC1)C(C)(C)C2=O","CC12CC(CC1)C(C)(C)C2=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3524,3152,"Phosphonic diamide, P-phenyl-","4707-88-4","NP(N)(=O)c1ccccc1","NP(N)(=O)c1ccccc1","NP(N)(=O)c1ccccc1","NP(N)(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3525,1812,"ANDROMEDOTOXIN","4720-09-6","CC(=O)OC1C23C(CCC1C(C2)(C)O)C(C)(O)C4C(C(C(C4)O)(C)C)(O)C(O)C3","CC(=O)OC1C23C(CCC1C(C2)(C)O)C(C)(O)C4C(C(C(C4)O)(C)C)(O)C(O)C3",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[3526,null,"1,3-propanediamine, N-phenyl-","4724-01-0","NCCCNc1ccccc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3527,1054,"NITRALIN","4726-14-1","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(C)(=O)=O)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(C)(=O)=O)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(C)(=O)=O)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(C)(=O)=O)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3528,1117,"N-Phenylphthalamic acid","4727-29-1","O=C(O)c1c(cccc1)C(=O)Nc2ccccc2","O=C(O)c1c(cccc1)C(=O)Nc2ccccc2","O=C(O)c1c(cccc1)C(=O)Nc2ccccc2","O=C(O)c1c(cccc1)C(=O)Nc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3529,1862,"Kryptocyanine","4727-50-8","CCN1c2c(C(C=C1)=CC=Cc3c4c([n+](cc3)CC)cccc4)cccc2","CCN1c2c(C(C=C1)=CC=Cc3c4c([n+](cc3)CC)cccc4)cccc2",null,"CCN1c2c(C(C=C1)=CC=Cc3c4c([n+](cc3)CC)cccc4)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3530,null,"2,4,6-TRINITROPHENETOL","4732-14-3","CCOc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","CCOc1c(c(c(cc1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"CCOc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[3531,null,"O-HYDROXY PHENYLACETAMIDE","4746-61-6",null,"CC(=O)Nc1c(cccc1)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3532,null,"1(3H)-ISOBENZOFURANONE,3,3-DIETHYL","4770-31-4",{"$nulls":3},"CCC1(c2c(C(O1)=O)cccc2)CC",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3533,3366,"3-Chloro-2-nitrobenzoic acid","4771-47-5","O=C(O)c1c(c(ccc1)Cl)[N+](=O)[O-]","O=C(O)c1c(c(ccc1)Cl)[N+](=O)[O-]","O=C(O)c1c(c(ccc1)Cl)[N+](=O)[O-]","O=C(O)c1c(c(ccc1)Cl)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3534,2536,"Serine, O-ethyl-","4775-82-0","CCOCC(N)C(=O)O",null,"CCOCC(N)C(=O)O","CCOCC(N)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[3535,null,"Propanoic acid, 2,2'-dithiobis-","4775-93-3","CC(SSC(C)C(=O)O)C(=O)O","O=C(O)CCSSCCC(=O)O","CC(SSC(C)C(=O)O)C(=O)O","CC(SSC(C)C(=O)O)C(=O)O",3,1,0,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[3536,351,"1-NAPHTHALENEMETHANOL","4780-79-4","OCc1c2c(ccc1)cccc2","OCc1c2c(ccc1)cccc2","OCc1c2c(ccc1)cccc2","OCc1c2c(ccc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3537,2306,"CROTONONITRILE","4786-20-3","CC=CC#N","CC=CC#N","CC=CC#N","CC=CC#N",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3538,4262,"1-Isobenzofurancarboxamide, 1,3-dihydro-3-oxo-","4792-32-9","NC(=O)C1c2c(C(O1)=O)cccc2",null,"NC(=O)C1c2c(C(O1)=O)cccc2","NC(=O)C1c2c(C(O1)=O)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3539,2799,"1-HEXEN-3-OL","4798-44-1","C=CC(O)CCC","C=CC(O)CCC","C=CC(O)CCC","C=CC(O)CCC",4,0,0,"NO","NO","Mantain","High Reliability","2273, 3541"]
[3540,2802,"4-METHYL-1-PENTEN-3-OL","4798-45-2","C=CC(O)C(C)C","C=CC(O)C(C)C","C=CC(O)C(C)C","C=CC(O)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability","2193"]
[3541,2799,"2-HEXENE-4-OL","4798-58-7","CC=CC(O)CC","CC=CC(O)CC","CC=CC(O)CC","CC=CC(O)CC",4,0,0,"NO","NO","Mantain","High Reliability","2273, 3539","Stereochemistry removed"]
[3542,50,"BROMOPHOS ETHYL","4824-78-6",null,"CCOP(=S)(OCC)Oc1c(cc(c(c1)Cl)Br)Cl","CCOP(=S)(OCC)Oc1c(cc(c(c1)Cl)Br)Cl","CCOP(=S)(OCC)Oc1c(cc(c(c1)Cl)Br)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3543,null,"2H-1-Benzopyran-4-carboxylic acid, 2-oxo-, ethyl","4825-95-0",{"$nulls":3},"CCOC(=O)c1c2c(oc(c1)=O)cccc2",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3544,null,"Coumarin, 4-(diethylcarbamoyl)-","4825-96-1","CCN(CC)C(=O)c1c2c(oc(c1)=O)cccc2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3545,null,"benzenepropanoicacid,.alpha.-oxo-.beta.-phenyl","4834-67-7",null,"O=C(O)C(=O)C(c1ccccc1)c2ccccc2",null,"O=C(O)C(=O)C(c1ccccc1)c2ccccc2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3546,210,"1-HEXYL-2-PYRROLIDONE","4838-65-7","CCCCCCN1C(CCC1)=O","CCCCCCN1C(CCC1)=O","CCCCCCN1C(CCC1)=O","CCCCCCN1C(CCC1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3547,null,"KASUGAMYCIN","4849-32-5","CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(N)C(=O)O","CN(C)C(=O)Nc1cc(ccc1)OC(=O)NC(C)(C)C","CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)NC(=N)C(=O)O","CN(C)C(=O)Nc1cc(ccc1)OC(=O)NC(C)(C)C",2,2,0,"YES","NO","Eliminate","-",null,"Stereochemistry removed, Missing/ambiguous"]
[3548,null,"UREA PHOSPHATE (1:1)","4861-19-2","O=P(O)(O)O","O=P(O)(O)O","O=P(O)(O)O","O=P(O)(O)O",4,0,0,"NO","NO","Eliminate","-",null,"Organic counterion, Inorganic"]
[3549,1206,"Phosphinic acid, di-4-morpholinyl-, phenyl ester","4881-17-8","O=P(Oc1ccccc1)(N2CCOCC2)N3CCOCC3","O=P(Oc1ccccc1)(N2CCOCC2)N3CCOCC3",null,"O=P(Oc1ccccc1)(N2CCOCC2)N3CCOCC3",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3550,3275,"Propanoic acid, 3-hydroxy-, butyl ester","4890-38-4","CCCCOC(=O)CCO",null,"CCCCOC(=O)CCO","CCCCOC(=O)CCO",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3551,3317,"2,3-DIMETHYL-2-PENTANOL","4911-70-0","CCC(C)C(C)(C)O","CCC(C)C(C)(C)O","CCC(C)C(C)(C)O","CCC(C)C(C)(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3552,3664,"Butanedioic acid, 2,2'-thiobis-","4917-76-4","O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O","O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O","O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O","O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3553,3540,"3-METHYL-2-NITROPHENOL","4920-77-8","Cc1c(c(ccc1)O)[N+](=O)[O-]","Cc1c(c(ccc1)O)[N+](=O)[O-]","Cc1c(c(ccc1)O)[N+](=O)[O-]","Cc1c(c(ccc1)O)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3554,2300,"Acetamide, 2-chloro-N-(chloroacetyl)-","4960-82-1","O=C(CCl)NC(=O)CCl","O=C(CCl)NC(=O)CCl","O=C(CCl)N=C(O)CCl","O=C(CCl)N=C(O)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3555,1656,"2-Benzothiazolesulfenamide, N,N-dicyclohexyl-","4979-32-2","c1cc2c(cc1)sc(SN(C3CCCCC3)C4CCCCC4)n2","c1cc2c(cc1)sc(SN(C3CCCCC3)C4CCCCC4)n2","c1cc2c(cc1)sc(SN(C3CCCCC3)C4CCCCC4)n2","c1cc2c(cc1)sc(SN(C3CCCCC3)C4CCCCC4)n2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3556,4322,"Benzoic acid, 4,5-dimethoxy-2-nitro-","4998-07-6","COc1c(cc(c(c1)C(=O)O)[N+](=O)[O-])OC","COc1c(cc(c(c1)C(=O)O)[N+](=O)[O-])OC","COc1c(cc(c(c1)C(=O)O)[N+](=O)[O-])OC","COc1c(cc(c(c1)C(=O)O)[N+](=O)[O-])OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3557,null,"benzoicacid,2-(acetyloxy)-,4-(acetylamino)phe","5003-48-5",null,"CC(=O)Nc1ccc(cc1)OC(=O)c2c(cccc2)OC(C)=O",null,"CC(=O)Nc1ccc(cc1)OC(=O)c2c(cccc2)OC(C)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3558,438,"Piperidine, 1-(phenylsulfonyl)-","5033-23-8","O=S(=O)(c1ccccc1)N2CCCCC2","O=S(=O)(c1ccccc1)N2CCCCC2","O=S(=O)(c1ccccc1)N2CCCCC2","O=S(=O)(c1ccccc1)N2CCCCC2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3559,null,"Acetic acid, 2,2'-[1,3-propanediylbis(thio)]bis-","5065-18-9","O=C(O)CSCCCSCC(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3560,639,"Benzeneacetonitrile, .alpha.-(diethylamino)-","5097-99-4","CCN(CC)C(C#N)c1ccccc1","CCN(CC)C(C#N)c1ccccc1","CCN(CC)C(C#N)c1ccccc1","CCN(CC)C(C#N)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3561,274,"ALPHA-CHLORDANE","5103-71-9","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl",4,0,0,"NO","NO","Mantain","High Reliability","137, 3562","Stereochemistry removed"]
[3562,274,"CHLORDANE (TRANS)","5103-74-2","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl",4,0,0,"NO","NO","Mantain","High Reliability","137, 3561","Stereochemistry removed"]
[3563,1294,"FLURBIPROFEN","5104-49-4","CC(C(=O)O)c1cc(c(cc1)-c2ccccc2)F","CC(C(=O)O)c1cc(c(cc1)-c2ccccc2)F","CC(C(=O)O)c1cc(c(cc1)-c2ccccc2)F","CC(C(=O)O)c1cc(c(cc1)-c2ccccc2)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3564,306,"Quinoline, 2-(nitromethyl)-","5114-78-3","O=[N+]([O-])Cc1nc2c(cc1)cccc2",null,"O=[N+]([O-])Cc1nc2c(cc1)cccc2","O=[N+]([O-])Cc1nc2c(cc1)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3565,null,"ditalimfos(laptran)","5131-24-8",null,"CCOP(=S)(OCC)N1C(c2c(C1=O)cccc2)=O",null,"CCOP(=S)(OCC)N1C(c2c(C1=O)cccc2)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3566,2743,"Hexanedioic acid, 2,5-dimercapto-","5139-01-5","O=C(O)C(S)CCC(S)C(=O)O","O=C(O)C(S)CCC(S)C(=O)O","O=C(O)C(S)CCC(S)C(=O)O","O=C(O)C(S)CCC(S)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3567,3191,"L-Aspartic acid, N-[(ethylthio)thioxomethyl]-","5139-67-3","CCSC(=S)NC(CC(=O)O)C(=O)O",null,"CCSC(S)=NC(CC(=O)O)C(=O)O","CCSC(S)=NC(CC(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[3568,3759,"Ethane, 1,1'-oxybis[2-[(2-chloroethyl)sulfonyl]-","5143-78-2","O=S(=O)(CCCl)CCOCCS(=O)(=O)CCCl",null,"O=S(=O)(CCCl)CCOCCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCOCCS(=O)(=O)CCCl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3569,null,"…-D-Galactopyranosiduronic acid, methyl","5155-53-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3570,null,"…-D-Galactopyranosiduronic acid, methyl, methyl","5155-54-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3571,4292,"1,4-Benzenedicarboxylic acid, 2-methoxy-","5156-00-3","COc1c(ccc(c1)C(=O)O)C(=O)O","COc1c(ccc(c1)C(=O)O)C(=O)O","COc1c(ccc(c1)C(=O)O)C(=O)O","COc1c(ccc(c1)C(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3572,2847,"Norleucine","5157-09-5","CCCCC(N)C(=O)O","CCCCC(N)C(=O)O","CCCCC(N)C(=O)O",null,3,0,1,"NO","NO","Mantain","Medium Reliability","2441","Stereochemistry removed"]
[3573,2354,"4-BROMO-1-BUTENE","5162-44-7","C=CCCBr","C=CCCBr","C=CCCBr","C=CCCBr",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3574,4013,"Acetamide, N-(4-chloro-2-methylphenyl)-","5202-86-8","CC(=O)Nc1c(cc(cc1)Cl)C","CC(=O)Nc1c(cc(cc1)Cl)C","CC(=O)Nc1c(cc(cc1)Cl)C","CC(=O)Nc1c(cc(cc1)Cl)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3575,468,"Dimethirimol","5221-53-4","CCCCc1c(nc([nH]c1C)N(C)C)=O","CCCCc1c(nc([nH]c1C)N(C)C)=O","CCCCc1c(nc(nc1C)N(C)C)O","CCCCc1c(nc(nc1C)N(C)C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3576,null,"Benzeneacetic acid, -[(sulfooxy)methyl]-, 8-meth","5226-98-2",null,"CN1C2CCC1CC(C2)OC(=O)C(COS(=O)(=O)O)c3ccccc3",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3577,600,"CARBOXIN","5234-68-4","CC=1OCCSC1C(=O)Nc2ccccc2","CC=1OCCSC1C(=O)Nc2ccccc2","CC=1OCCSC1C(=O)Nc2ccccc2","CC=1OCCSC1C(=O)Nc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3578,602,"OXYCARBOXIN","5259-88-1","CC=1OCCS(C1C(=O)Nc2ccccc2)(=O)=O","CC=1OCCS(C1C(=O)Nc2ccccc2)(=O)=O","CC=1OCCS(C1C(=O)Nc2ccccc2)(=O)=O","CC=1OCCS(C1C(=O)Nc2ccccc2)(=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3579,null,"2,6-dimethyl-5,6-dihydro-2H-pyran-3-carboxylic a","5270-62-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3580,3722,"CYCLOHEXYLACETIC ACID","5292-21-7","O=C(O)CC1CCCCC1","O=C(O)CC1CCCCC1","O=C(O)CC1CCCCC1","O=C(O)CC1CCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3581,1668,"Propanamide, N-hexadecyl-2-hydroxy-","5323-53-5","CCCCCCCCCCCCCCCCNC(=O)C(C)O","CCCCCCCCCCCCCCCCNC(=O)C(C)O","CCCCCCCCCCCCCCCCN=C(O)C(C)O","CCCCCCCCCCCCCCCCN=C(O)C(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3582,3790,"Propanamide, 2-hydroxy-N-pentyl-","5323-54-6","CCCCCNC(=O)C(C)O","CCCCCNC(=O)C(C)O","CCCCCN=C(O)C(C)O","CCCCCN=C(O)C(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3583,null,"d-gluconicacid,2,4:3,5-di-o-methylene-","5323-77-3",null,"O=C(O)C1C2C(OCO1)C(CO)OCO2",null,"O=C(O)C1C2C(OCO1)C(CO)OCO2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3584,null,"SULFAMIC ACID","5329-14-6","NS(=O)(=O)O","NS(=O)(=O)O","NS(=O)(=O)O","NS(=O)(=O)O",4,0,0,"NO","NO","Eliminate","-",null,"Inorganic"]
[3585,null,"d-glycero-d-gulo-heptopyranoside,phenyl,-","5329-55-5",null,"OCC(O)C1C(C(C(C(O1)Oc2ccccc2)O)O)O",null,"OCC(O)C1C(C(C(C(O1)Oc2ccccc2)O)O)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3586,4138,"2,5-Pyrrolidinedione, 1-pentyl-","5332-35-4","CCCCCN1C(CCC1=O)=O","CCCCCN1C(CCC1=O)=O","CCCCCN1C(CCC1=O)=O","CCCCCN1C(CCC1=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3587,null,"phosphonicacid,3-(nitrophenyl)-","5337-19-9",null,"O=[N+]([O-])c1cc(ccc1)P(=O)(O)O",null,"O=[N+]([O-])c1cc(ccc1)P(=O)(O)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3588,1451,"3-Pyridinecarboxylic acid, decyl ester","5338-17-0","CCCCCCCCCCOC(=O)c1cnccc1","CCCCCCCCCCOC(=O)c1cnccc1","CCCCCCCCCCOC(=O)c1cnccc1","CCCCCCCCCCOC(=O)c1cnccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3589,3235,"DL-Leucine, N-formyl-","5338-45-4","CC(C)CC(NC=O)C(=O)O","CC(C)CC(NC=O)C(=O)O","CC(C)CC(N=CO)C(=O)O","CC(C)CC(N=CO)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3590,2233,"2,3-BUTANEDIOL (MESO)","5341-95-7","CC(O)C(C)O","CC(O)C(C)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","1963","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[3591,2012,"Methanesulfonamide, N-(methylsulfonyl)-","5347-82-0","CS(=O)(=O)NS(C)(=O)=O","CS(=O)(=O)NS(C)(=O)=O","CS(=O)(=O)NS(C)(=O)=O","CS(=O)(=O)NS(C)(=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3592,null,"Ribitol, 1,3:2,4-di-O-methylene-","5348-91-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3593,3278,"Propionic acid, 3-methoxy-, propyl ester","5349-56-4","CCCOC(=O)CCOC","CCCOC(=O)CCOC",null,"CCCOC(=O)CCOC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3594,null,"1,1,4,4-Tetramethoxy-but-2-ene","5370-08-1","COC(C=CC(OC)OC)OC","COC(C=CC(OC)OC)OC",null,null,2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Stereochemistry removed"]
[3595,2753,"1H-PYRROLE, 2,3-DIHYDRO-1,5-DIMETHYL-","5370-57-0","CC=1N(CCC1)C",null,"CC=1N(CCC1)C","CC=1N(CCC1)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3596,166,"CITRAL","5392-40-5","CC(C)=CCCC(C)=CC=O","CC(C)=CCCC(C)=CC=O","CC(C)=CCCC(C)=CC=O","CC(C)=CCCC(C)=CC=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3597,174,"CIS-1,2,2-TRIMETHYL-1,3-CYCLOPENTANEDICARBOXYL*","5394-83-2","CC1(C(C(CC1)C(=O)O)(C)C)C(=O)O","CC1(C(C(CC1)C(=O)O)(C)C)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","1453","Checked on ChemID, Checked on PubChem"]
[3598,2757,"phosphonothioicdihydrazide,p-phenyl-","5395-21-1",null,"NNP(=S)(NN)c1ccccc1",null,"NNP(=S)(NN)c1ccccc1",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[3599,2759,"2,4-DIAMINO-6-ISOPRPYL-S-TRIAZINE","5397-04-6","CC(C)c1nc(nc(n1)N)N","CC(C)c1nc(nc(n1)N)N",null,"CC(C)c1nc(nc(n1)N)N",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3600,364,"3-Pyridinamine, 6-[(4-aminophenyl)sulfonyl]-","5401-26-3","Nc1ccc(cc1)S(=O)(=O)c2ncc(cc2)N","Nc1ccc(cc1)S(=O)(=O)c2ncc(cc2)N","Nc1ccc(cc1)S(=O)(=O)c2ncc(cc2)N","Nc1ccc(cc1)S(=O)(=O)c2ncc(cc2)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3601,79,"Acetic acid, (3,5-dimethylphenoxy)-","5406-14-4","Cc1cc(cc(c1)C)OCC(=O)O","Cc1cc(cc(c1)C)OCC(=O)O",null,"Cc1cc(cc(c1)C)OCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3602,829,"2,8-DICHLORODIBENZOFURAN","5409-83-6","Clc1cc2c(cc1)oc3c2cc(cc3)Cl","Clc1cc2c(cc1)oc3c2cc(cc3)Cl",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3603,3634,"1,3,7-TRIMETHYL URIC ACID","5415-44-1","Cn1c(n(c2c(c1=O)n(c([nH]2)=O)C)C)=O","Cn1c(n(c2c(c1=O)n(c([nH]2)=O)C)C)=O",null,"Cn1c(n(c2c(c1=O)n(c([nH]2)=O)C)C)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3604,4188,"N-hexyl-lactamide","5422-39-9","CCCCCCNC(=O)C(C)O","CCCCCCNC(=O)C(C)O","CCCCCCN=C(O)C(C)O","CCCCCCN=C(O)C(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3605,4155,"2-acetoxy-propionic acid butyl ester","5422-69-5","CCCCOC(=O)C(C)OC(C)=O","CCCCOC(=O)C(C)OC(C)=O",null,"CCCCOC(=O)C(C)OC(C)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3606,null,"1h-purine-2,6-dione,8-ethyl-3,7-dihydro-1,3,7-t","5426-50-6",null,"CCc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",null,"CCc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3607,595,"Imidodicarbonimidic diamide, N-2-naphthalenyl-","5426-97-1","N=C(N)NC(=N)Nc1cc2c(cc1)cccc2","NC(N)=NC(N)=Nc1cc2c(cc1)cccc2",null,"NC(N)=NC(N)=Nc1cc2c(cc1)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[3608,2636,"(2,5-dioxoimidazolidin-4-yl)acetic acid","5427-26-9","O=C(O)CC1C(NC(N1)=O)=O","O=C(O)CC1C(NC(N1)=O)=O","O=C(O)CC1C(=NC(=N1)O)O","O=C(O)CC1C(=NC(=N1)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3609,3537,"PHENOL, 2-METHYL-5-NITRO-","5428-54-6","Cc1c(cc(cc1)[N+](=O)[O-])O","Cc1c(cc(cc1)[N+](=O)[O-])O","Cc1c(cc(cc1)[N+](=O)[O-])O","Cc1c(cc(cc1)[N+](=O)[O-])O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3610,null,"carbamothioicacid,s-[2-oxo-2-(phenylamino)ethy","5428-95-5",null,"NC(=O)SCC(=O)Nc1ccccc1",null,"NC(=O)SCC(=O)Nc1ccccc1",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3611,null,"benzenesulfonamide,4-amino-n-(6-methyl-3-pyrida","5433-63-6",null,"Cc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",null,"Cc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3612,null,"butanedioicacid,(diphenylmethylene)-,1-ethyl","5438-22-2",null,"CCOC(=O)C(CC(=O)O)=C(c1ccccc1)c2ccccc2",null,"CCOC(=O)C(CC(=O)O)=C(c1ccccc1)c2ccccc2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3613,null,"Propanoic acid, 2-amino-3-(4-chlorobenzenesulfon","5445-04-5",{"$nulls":3},"NC(CS(=O)(=O)c1ccc(cc1)Cl)C(=O)O",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3614,387,"Benzeneacetic acid, 4-(acetyloxy)-3-methoxy-","5447-38-1","COc1c(ccc(c1)CC(=O)O)OC(C)=O","COc1c(ccc(c1)CC(=O)O)OC(C)=O","COc1c(ccc(c1)CC(=O)O)OC(C)=O","COc1c(ccc(c1)CC(=O)O)OC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3615,null,"6h-purin-6-one,2-chloro-1,7-dihydro-7-methyl-,","5453-13-4",null,"Cn1c2c(nc1)nc(Cl)nc2NN",null,"Cn1c2c(nc1)nc(Cl)nc2NN",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3616,null,"4h-pyran-3,5-dicarboxylicacid,2,6-dimethyl-4-o","5456-14-4",null,"CCOC(=O)c1c(c(c(oc1C)C)C(=O)OCC)=O",null,"CCOC(=O)c1c(c(c(oc1C)C)C(=O)OCC)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3617,3047,"Benzenamine, 2-iodo-5-nitro-","5459-50-7","Nc1c(ccc(c1)[N+](=O)[O-])I","Nc1c(ccc(c1)[N+](=O)[O-])I","Nc1c(ccc(c1)[N+](=O)[O-])I","Nc1c(ccc(c1)[N+](=O)[O-])I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3618,2785,"Propanamide, 2,2'-oxybis-","5460-66-2","CC(OC(C)C(N)=O)C(N)=O","CC(OC(C)C(N)=O)C(N)=O","CC(OC(C)C(N)=O)C(N)=O","CC(OC(C)C(N)=O)C(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3619,3714,"DL-Methionine, N-(2-cyanoethyl)-","5464-31-3","CSCCC(NCCC#N)C(=O)O",null,null,"CSCCC(NCCC#N)C(=O)O",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[3620,null,"N,N'bis-<2-cyano-ethyl>-alanine","5464-34-6",{"$nulls":3},"CC(C(=O)O)N(CCC#N)CCC#N",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3621,428,"L-Glutamic acid, N,N-bis(2-cyanoethyl)-","5464-39-1","N#CCCN(CCC#N)C(CCC(=O)O)C(=O)O","N#CCCN(CCC#N)C(CCC(=O)O)C(=O)O","N#CCCN(CCC#N)C(CCC(=O)O)C(=O)O","N#CCCN(CCC#N)C(CCC(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3622,455,"DL-Methionine, N,N-bis(2-cyanoethyl)-","5464-40-4","CSCCC(C(=O)O)N(CCC#N)CCC#N",null,null,"CSCCC(C(=O)O)N(CCC#N)CCC#N",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[3623,498,"Propanoic acid, 2-hydroxy-, octyl ester","5464-71-1","CCCCCCCCOC(=O)C(C)O","CCCCCCCCOC(=O)C(C)O","CCCCCCCCOC(=O)C(C)O","CCCCCCCCOC(=O)C(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3624,null,"Benzenesulfonamide, 4-amino-N-(4-propyl-2-pyrimi","5466-36-4",null,"CCCc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3625,3919,"2H-1,4-Benzoxazin-3(4H)-one","5466-88-6","O=C1Nc2c(OC1)cccc2","O=C1Nc2c(OC1)cccc2","O=C1Nc2c(OC1)cccc2","O=C1Nc2c(OC1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3626,null,"Succinic acid, 2,3-dibromo-2-methyl-, erythro-(.","5469-23-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3627,3181,"2-Butenedioic acid, 2-propyl-, (E)-","5469-28-3","CCCC(=CC(=O)O)C(=O)O","CCCC(=CC(=O)O)C(=O)O",null,"CCCC(=CC(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[3628,184,"1,4-Piperazinedicarboxylic acid, diethyl ester","5470-28-0","CCOC(=O)N1CCN(CC1)C(=O)OCC","CCOC(=O)N1CCN(CC1)C(=O)OCC","CCOC(=O)N1CCN(CC1)C(=O)OCC","CCOC(=O)N1CCN(CC1)C(=O)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3629,1220,"2,6-DI-SEC-BUTYLPHENOL","5510-99-6","CCC(C)c1c(c(ccc1)C(C)CC)O","CCC(C)c1c(c(ccc1)C(C)CC)O","CCC(C)c1c(c(ccc1)C(C)CC)O","CCC(C)c1c(c(ccc1)C(C)CC)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3630,1461,"Pyrene, 1-nitro-","5522-43-0","O=[N+]([O-])c1c2ccc3cccc4ccc(cc1)c2c43","O=[N+]([O-])c1c2ccc3cccc4ccc(cc1)c2c43","O=[N+]([O-])c1c2ccc3cccc4ccc(cc1)c2c43","O=[N+]([O-])c1c2ccc3cccc4ccc(cc1)c2c43",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3631,null,"hydrazinecarboxamide,1-ethyl-2-[(5-nitro-2-fura","5579-89-5",null,"CCN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O",null,"CCN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[3632,653,"6-PHENYLCAPROIC ACID","5581-75-9","O=C(O)CCCCCc1ccccc1","O=C(O)CCCCCc1ccccc1",null,"O=C(O)CCCCCc1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3633,3810,"3-Methyl-3-heptanol","5582-82-1","CCCCC(C)(O)CC","CCCCC(C)(O)CC",null,null,2,0,2,"NO","NO","Mantain","High Reliability","2344","Checked on ChemID, Checked on PubChem"]
[3634,4127,"1-Cyclopentene-1-carboxylic acid, 2,3,3-trimethy","5587-63-3",null,"CC=1C(CCC1C(=O)O)(C)C","CC=1C(CCC1C(=O)O)(C)C","CC=1C(CCC1C(=O)O)(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3635,3504,"CHLORPYRIFOS METHYL","5598-13-0","COP(=S)(OC)Oc1c(cc(c(n1)Cl)Cl)Cl","COP(=S)(OC)Oc1c(cc(c(n1)Cl)Cl)Cl","COP(=S)(OC)Oc1c(cc(c(n1)Cl)Cl)Cl","COP(=S)(OC)Oc1c(cc(c(n1)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3636,2031,"TRIAMCINOLONE HEXACETONIDE","5611-51-8","CC(C)(C)CC(=O)OCC(=O)C12C(OC(O1)(C)C)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C","CC(C)(C)CC(=O)OCC(=O)C12C(OC(O1)(C)C)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C","CC(C)(C)CC(=O)OCC(=O)C12C(OC(O1)(C)C)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C","CC(C)(C)CC(=O)OCC(=O)C12C(OC(O1)(C)C)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3637,2483,"CYCLOPROPANE, ETHOXY-","5614-38-0","CCOC1CC1","CCOC1CC1","CCOC1CC1","CCOC1CC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3638,null,"Purine-1(2H)-acetaldehyde, 3,6-dihydro-3,7-dimet","5614-52-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3639,null,"7H-Purine-7-acetaldehyde, 1,2,3,6-tetrahydro-1,3","5614-53-9",{"$nulls":3},"Cn1c(n(c2c(c1=O)n(cn2)CC=O)C)=O",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3640,null,"1h-purine-1-aceticacid,2,3,6,7-tetrahydro-3,7-","5614-56-2",null,"Cn1c2c(nc1)n(c(n(c2=O)CC(=O)O)=O)C",null,"Cn1c2c(nc1)n(c(n(c2=O)CC(=O)O)=O)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3641,2712,"3,6-dimethylpiperazine-2,5-dione","5625-46-7","CC1C(NC(C(N1)=O)C)=O","CC1C(NC(C(N1)=O)C)=O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[3642,null,"2,5-Piperazinedione, 3-[(4-hydroxyphenyl)methyl]","5625-49-0",null,null,"OC=1CN=C(C(N1)Cc2ccc(cc2)O)O","OC=1CN=C(C(N1)Cc2ccc(cc2)O)O",2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[3643,null,"2-Pyrrolidinecarboxamide, 5-oxo-N-phenyl-","5626-54-0","O=C1NC(CC1)C(=O)Nc2ccccc2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[3644,552,"Phenol, 4-(phenylthio)-","5633-55-6","Oc1ccc(cc1)Sc2ccccc2",null,"Oc1ccc(cc1)Sc2ccccc2","Oc1ccc(cc1)Sc2ccccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3645,1703,"Dimethindene","5636-83-9","CC(C=1c2c(CC1CCN(C)C)cccc2)c3ncccc3","CC(C=1c2c(CC1CCN(C)C)cccc2)c3ncccc3","CC(C=1c2c(CC1CCN(C)C)cccc2)c3ncccc3","CC(C=1c2c(CC1CCN(C)C)cccc2)c3ncccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3646,null,"Ethane, 1,1'-[oxybis(methyleneoxy)]bis-","5648-29-3","CCOCOCOCC",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3647,null,"Benzoic acid, 2-[(carboxycarbonyl)amino]-","5651-01-4","O=C(O)C(=O)Nc1c(cccc1)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3648,932,"Naphtho[1,2-c]furan-1(3H)-one","5657-01-2","O=C1c2c(CO1)ccc3c2cccc3","O=C1c2c(CO1)ccc3c2cccc3","O=C1c2c(CO1)ccc3c2cccc3","O=C1c2c(CO1)ccc3c2cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3649,3547,"Glycine, N-(2-furanylcarbonyl)-","5657-19-2","O=C(O)CNC(=O)c1occc1","O=C(O)CNC(=O)c1occc1","O=C(O)CNC(=O)c1occc1","O=C(O)CNC(=O)c1occc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3650,null,"glycine,n-2-furoyl-2-phenyl-","5657-20-5","O=C(NC(C(=O)O)c1ccccc1)c2occc2","C#CCOc1c(cc(cc1I)I)C=NNC(=O)Cn2nc(nn2)-c3c(cccc3)Cl",null,"C#CCOc1c(cc(cc1I)I)C=NNC(=O)Cn2nc(nn2)-c3c(cccc3)Cl",2,1,1,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[3651,3750,"m-Dioxane, 5-methyl-5-nitro-2-propyl-","5663-15-0","CCCC1OCC(CO1)(C)[N+](=O)[O-]","CCCC1OCC(CO1)(C)[N+](=O)[O-]",null,"CCCC1OCC(CO1)(C)[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3652,null,"5-Thiazolecarboxylic acid, 2-[[(4-aminophenyl)su","5664-51-7",null,"Nc1ccc(cc1)S(=O)(=O)Nc2sc(cn2)C(=O)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3653,null,"Altraric acid","5666-23-9","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[3654,3730,"Butanedioic acid, 2,2-diethyl-","5692-97-7","CCC(CC)(CC(=O)O)C(=O)O","CCC(CC)(CC(=O)O)C(=O)O","CCC(CC)(CC(=O)O)C(=O)O","CCC(CC)(CC(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3655,4050,"Benzenepropanoic acid, .alpha.,.beta.-dihydroxy-","5695-95-4","O=C(O)C(O)C(O)c1ccccc1",null,"O=C(O)C(O)C(O)c1ccccc1","O=C(O)C(O)C(O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3656,2646,"Acetylpyruvic acid","5699-58-1","CC(=O)CC(=O)C(=O)O","CC(=O)CC(=O)C(=O)O","CC(=O)CC(=O)C(=O)O","CC(=O)CC(=O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3657,null,"Hydrocinnamic acid, .alpha.-ethylidene-","5707-59-5","CC=C(Cc1ccccc1)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3658,null,"Hexanedioic acid, 2,5-dihydroxy-2,5-dimethyl-","5739-18-4","CC(O)(CCC(C)(O)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3659,3596,"1-Triazene, 3-hydroxy-3-methyl-1-phenyl-","5756-69-4","CN(O)N=Nc1ccccc1","CN(O)N=Nc1ccccc1",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3660,971,"Benzoic acid, 4-[(3-pyridinylcarbonyl)amino]-","5768-40-1","O=C(O)c1ccc(cc1)NC(=O)c2cnccc2","O=C(O)c1ccc(cc1)NC(=O)c2cnccc2","O=C(O)c1ccc(cc1)NC(=O)c2cnccc2","O=C(O)c1ccc(cc1)NC(=O)c2cnccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3661,null,"Cis-1,2-bis-(1-methyl-3-oxo-but-1-enylamino)-cyc","5769-37-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3662,3280,"2-Propanone, 1,1-diethoxy-","5774-26-5","CCOC(OCC)C(C)=O","CCOC(OCC)C(C)=O","CCOC(OCC)C(C)=O","CCOC(OCC)C(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3663,4074,"TYROSINE, 3-HYDROXY-","5796-17-8","NC(Cc1cc(c(cc1)O)O)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","177","Stereochemistry removed"]
[3664,null,"propanoicacid,2,2'-thiobis","5811-50-7",null,"CC(SC(C)C(=O)O)C(=O)O",null,"CC(SC(C)C(=O)O)C(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3665,null,"purine-1(2h)-propionicacid,3,6-dihydro-3,7-dim","5815-65-6",null,"Cn1c2c(nc1)n(c(n(c2=O)CCC(=O)O)=O)C",null,"Cn1c2c(nc1)n(c(n(c2=O)CCC(=O)O)=O)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3666,2388,"1,1'-SULFINYLBIS(2-CHLOROETHANE)","5819-08-9","O=S(CCCl)CCCl","O=S(CCCl)CCCl","O=S(CCCl)CCCl","O=S(CCCl)CCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3667,null,"5-norbornene-2,3-dicarboxylicacid,dimethylest","5826-73-3",null,"COC(=O)C1C(C2C=CC1C2)C(=O)OC",null,"COC(=O)C1C(C2C=CC1C2)C(=O)OC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3668,4215,"APHIDAN","5827-05-4","CCS(=O)CSP(=S)(OC(C)C)OC(C)C","CCS(=O)CSP(=S)(OC(C)C)OC(C)C","CCS(=O)CSP(=S)(OC(C)C)OC(C)C","CCS(=O)CSP(=S)(OC(C)C)OC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3669,null,"1,8,15,22-tetraazacyclooctacosane-2,9,16,23-tetr","5834-63-9",null,"O=C1NCCCCCC(NCCCCCC(NCCCCCC(NCCCCC1)=O)=O)=O",null,"O=C1NCCCCCC(NCCCCCC(NCCCCCC(NCCCCC1)=O)=O)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3670,null,"butanoicacid,4-(diethylamino)-4-oxo-,propyle","5834-84-4",null,"CCCOC(=O)CCC(=O)N(CC)CC",null,"CCCOC(=O)CCC(=O)N(CC)CC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3671,1478,"ISOPROPYL-4,4'-DICHLOROBENZILATE","5836-10-2","CC(C)OC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl","CC(C)OC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl","CC(C)OC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl","CC(C)OC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3672,null,"endrocide(endox)(coumatetralyl)","5836-29-3",null,"O=c1c2c(oc(c1C3c4c(CCC3)cccc4)O)cccc2",null,"O=c1c(c(c2c(o1)cccc2)O)C3c4c(CCC3)cccc4",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3673,2983,"2-BROMO-4-NITROPHENOL","5847-59-6","O=[N+]([O-])c1cc(c(cc1)O)Br","O=[N+]([O-])c1cc(c(cc1)O)Br","O=[N+]([O-])c1cc(c(cc1)O)Br","O=[N+]([O-])c1cc(c(cc1)O)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3674,2425,"Ethanol, 2-mercapto-, 1-acetate","5862-40-8","CC(=O)OCCS","CC(=O)OCCS","CC(=O)OCCS","CC(=O)OCCS",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3675,null,"DL-Alanine, N-formyl-","5893-10-7","CC(NC=O)C(=O)O","CCCCCCc1ccc(cc1)C(=O)Nc2cc(c(cc2)N3CCCC3)C(=O)NCCCOCC","CC(N=CO)C(=O)O","CC(N=CO)C(=O)O",3,1,0,"NO","YES","Eliminate","-",null,"Stereochemistry removed, Missing/ambiguous"]
[3676,4108,"TERBACIL","5902-51-2","Cc1c(c(n(c([nH]1)=O)C(C)(C)C)=O)Cl","Cc1c(c(n(c([nH]1)=O)C(C)(C)C)=O)Cl","Cc1c(c(n(c([nH]1)=O)C(C)(C)C)=O)Cl","Cc1c(c(n(c([nH]1)=O)C(C)(C)C)=O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3677,4143,"TERBUTHYLAZINE","5915-41-3","CCNc1nc(nc(n1)Cl)NC(C)(C)C","CCNc1nc(nc(n1)Cl)NC(C)(C)C","CCNc1nc(nc(n1)Cl)NC(C)(C)C","CCNc1nc(nc(n1)Cl)NC(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3678,2269,"thioperoxydiphosphoricacid,tetramethylester","5930-71-2","COP(=O)(OC)OOP(=S)(OC)OC","COP(=S)(OC)SSP(=S)(OC)OC","COP(=S)(OC)SSP(=S)(OC)OC","COP(=S)(OC)SSP(=S)(OC)OC",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[3679,4200,"4-NONANOL","5932-79-6","CCCCCC(O)CCC","CCCCCC(O)CCC","CCCCCC(O)CCC","CCCCCC(O)CCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3680,2845,"D-Xylose, (aminocarbonyl)hydrazone","5934-39-4","NC(=O)NN=CC(O)C(O)C(O)CO",null,"N=C(O)NN=CC(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)CO",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[3681,3972,"2H-Pyran-5-carboxylic acid, 2-oxo-, ethyl ester","5942-96-1","CCOC(=O)c1coc(cc1)=O","CCOC(=O)c1coc(cc1)=O","CCOC(=O)c1coc(cc1)=O","CCOC(=O)c1coc(cc1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3682,null,"1,2,3-propanetricarboxylicacid,2-hydroxy-,mon","5949-29-1",null,"O=C(O)CC(O)(CC(=O)O)C(=O)O",null,"O=C(O)CC(O)(CC(=O)O)C(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3683,2758,"2,4-DIAMINO-6-PROPYL-S-TRIAZINE","5962-23-2","CCCc1nc(nc(n1)N)N","CCCc1nc(nc(n1)N)N",null,"CCCc1nc(nc(n1)N)N",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3684,null,"Benzenesulfonamide, 4-(D-glucopyranoxylamino)-","5962-25-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3685,2179,"Propanoic acid, 3-phosphono-","5962-42-5","O=C(O)CCP(=O)(O)O","O=C(O)CCP(=O)(O)O","O=C(O)CCP(=O)(O)O","O=C(O)CCP(=O)(O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3686,null,"Propanoic acid, 2,2'-selenobis-","5962-45-8","CC([Se]C(C)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Eliminate","-",null,"Unusual elements"]
[3687,null,".beta.-d-glucopyranose,4-o-.beta.-d-galactopyra","5965-66-2",null,"OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",null,"OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[3688,155,"D-LIMONENE","5989-27-5","C=C(C)C1CCC(=CC1)C","C=C(C)C1CCC(=CC1)C","C=C(C)C1CCC(=CC1)C","C=C(C)C1CCC(=CC1)C",4,0,0,"NO","NO","Mantain","High Reliability","858, 1542, 2258","Stereochemistry removed"]
[3689,725,"Ethanamine, 2,2'-thiobis[N,N-diethyl-","6006-58-2","CCN(CC)CCSCCN(CC)CC","CCN(CC)CCSCCN(CC)CC","CCN(CC)CCSCCN(CC)CC","CCN(CC)CCSCCN(CC)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3690,null,"MORPHINAN-3,6-DIOL, 7,8-DIDEHYDRO-4,5-EPOXY-17-M","6009-81-0",null,"CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3691,2554,"2-PENTANOL","6032-29-7","CCCC(C)O","CCCC(C)O","CCCC(C)O","CCCC(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3692,1787,"NARCOTINE","6035-40-1","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC",null,3,0,1,"NO","NO","Mantain","Medium Reliability","1488","Stereochemistry removed"]
[3693,620,"5-oxo-3-phenyl-hexanoic acid","6049-47-4","CC(=O)CC(CC(=O)O)c1ccccc1",null,"CC(=O)CC(CC(=O)O)c1ccccc1","CC(=O)CC(CC(=O)O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3694,2762,"Propanamide, N-(1-oxopropyl)-","6050-26-6","CCC(=O)NC(=O)CC","CCC(=O)NC(=O)CC","CCC(=O)NC(=O)CC","CCC(=O)NC(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3695,null,"1h-purine-2,6-dione,3,7-dihydro-3,7,8-trimethyl","6050-42-6",null,"CC1Cc2c(CC1)c(c(s2)NC(=O)c3cnccc3)C(=O)Nc4ccccc4",null,"CC1Cc2c(CC1)c(c(s2)NC(=O)c3cnccc3)C(=O)Nc4ccccc4",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3696,3918,"Benzenamine, N-ethyl-N,2,4,6-tetranitro-","6052-13-7","CCN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","CCN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","CCN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","CCN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3697,1124,"Benzenamine, 4,4'-(1,2-ethynediyl)bis-","6052-15-9","Nc1ccc(cc1)C#Cc2ccc(cc2)N","Nc1ccc(cc1)C#Cc2ccc(cc2)N","Nc1ccc(cc1)C#Cc2ccc(cc2)N","Nc1ccc(cc1)C#Cc2ccc(cc2)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3698,974,"C.I. 14010","6054-99-5",{"$nulls":3},"O=C(O)c1c(ccc(c1)N=Nc2ccc(cc2)S(=O)(=O)O)O",1,0,3,"NO","NO","Mantain","Medium Reliability","","Organic counterion, Checked on ChemID, Checked on PubChem"]
[3699,1106,"Benzoic acid, 2-(2-hydroxybenzoyl)-","6079-73-8","O=C(O)c1c(cccc1)C(=O)c2c(cccc2)O",null,"O=C(O)c1c(cccc1)C(=O)c2c(cccc2)O","O=C(O)c1c(cccc1)C(=O)c2c(cccc2)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3700,null,"Phthalic acid, bis(2,2,2-trinitroethyl) ester","6093-30-7","O=C(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])c1c(cccc1)C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3701,null,"2-Butanol, 1,1,1-trichloro-","6111-61-1","CCC(O)C(Cl)(Cl)Cl",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3702,2405,"2-Buten-1-ol","6117-91-5","CC=CCO","CC=CCO","CC=CCO","CC=CCO",4,0,0,"NO","NO","Mantain","High Reliability","1423, 3459","Stereochemistry removed"]
[3703,1704,"QUININE HYPOPHOSPHITE","6119-53-5","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",null,null,2,0,2,"NO","NO","Mantain","High Reliability","101, 1495, 2120","Checked on ChemID, Checked on PubChem"]
[3704,3272,"1,3-DIOXOLANE, 2-(2-METHYLPROPYL)-","6135-52-0","CC(C)CC1OCCO1",null,"CC(C)CC1OCCO1","CC(C)CC1OCCO1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3705,989,"Benzenesulfonamide, 4-amino-N-2-benzothiazolyl-","6138-01-8","Nc1ccc(cc1)S(=O)(=O)Nc2sc3c(n2)cccc3","Nc1ccc(cc1)S(=O)(=O)Nc2sc3c(n2)cccc3",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[3706,4164,"2(1H)-Azecinone, octahydro-","6142-53-6","O=C1NCCCCCCCC1",null,"OC=1CCCCCCCCN1","OC=1CCCCCCCCN1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3707,4356,"Methanamine, N-chloro-","6154-14-9","CNCl","CNCl","CNCl","CNCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3708,null,"BENZOIC ACID, 3,4-DIMETHOXY-, MONOHYDRATE","6159-60-0","COc1c(cc(cc1)C(=O)O)OC",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3709,86,"CHLORDIMEFORM","6164-98-3","Cc1c(ccc(c1)Cl)N=CN(C)C","Cc1c(ccc(c1)Cl)N=CN(C)C","Cc1c(ccc(c1)Cl)N=CN(C)C","Cc1c(ccc(c1)Cl)N=CN(C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3710,3801,"2-Octanol","6169-06-8","CCCCCCC(C)O","CCCCCCC(C)O","CCCCCCC(C)O","CCCCCCC(C)O",4,0,0,"NO","NO","Mantain","High Reliability","1433, 3463","Stereochemistry removed"]
[3711,null,"Benzoic acid, 2-hydroxy-, 2,3-dihydroxypropyl es","6170-45-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3712,2711,"DESETHYLATRAZINE","6190-65-4","CC(C)Nc1nc(nc(n1)N)Cl","CC(C)Nc1nc(nc(n1)N)Cl","CC(C)Nc1nc(nc(n1)N)Cl","CC(C)Nc1nc(nc(n1)N)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3713,null,"Ethanol, 2-phenoxy-, acetate","6192-44-5","OCCOc1ccccc1","CC(=O)OCCOc1ccccc1",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3714,2303,"2-Butenoic acid, 3-chloro-, (Z)-","6213-90-7","CC(Cl)=CC(=O)O","CC(Cl)=CC(=O)O",null,"CC(Cl)=CC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","3715","Stereochemistry removed"]
[3715,2303,"3-Chlorocrotonic acid","6214-28-4","CC(Cl)=CC(=O)O","CC(Cl)=CC(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","3714","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[3716,2147,"Propanoic acid, 2,3-dimercapto-","6220-25-3","O=C(O)C(S)CS","O=C(O)C(S)CS","O=C(O)C(S)CS","O=C(O)C(S)CS",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3717,null,"Acetic acid, 2,2'-selenobis-","6228-62-2","O=C(O)C[Se]CC(=O)O","O=C(O)C[Se]CC(=O)O","O=C(O)C[Se]CC(=O)O","O=C(O)C[Se]CC(=O)O",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[3718,2596,"NIFUROXIME","6236-05-1","O=[N+]([O-])c1oc(cc1)C=NO","O=[N+]([O-])c1oc(cc1)C=NO","O=[N+]([O-])c1oc(cc1)C=NO","O=[N+]([O-])c1oc(cc1)C=NO",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3719,null,"Salicylic acid, 5-(2H-benzotriazol-2-yl)-","6245-33-6","O=C(O)c1c(ccc(c1)-n2nc3c(n2)cccc3)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3720,1023,"2H-Azepin-2-one, 1-benzoylhexahydro-","6248-28-8","O=C1N(CCCCC1)C(=O)c2ccccc2","O=C1N(CCCCC1)C(=O)c2ccccc2","O=C1N(CCCCC1)C(=O)c2ccccc2","O=C1N(CCCCC1)C(=O)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3721,1768,"C.I. DISPERSE ORANGE 13","6253-10-7","O=C1C=CC(C=C1)=NNc2c3c(c(cc2)N=Nc4ccccc4)cccc3","O=C1C=CC(C=C1)=NNc2c3c(c(cc2)N=Nc4ccccc4)cccc3","Oc1ccc(cc1)N=Nc2c3c(c(cc2)N=Nc4ccccc4)cccc3","Oc1ccc(cc1)N=Nc2c3c(c(cc2)N=Nc4ccccc4)cccc3",4,0,0,"NO","NO","Mantain","High Reliability","","Organic counterion"]
[3722,992,"Benzamide, 3,4,5-trihydroxy-N-phenyl-","6262-27-7","O=C(Nc1ccccc1)c2cc(c(c(c2)O)O)O","O=C(Nc1ccccc1)c2cc(c(c(c2)O)O)O","O=C(Nc1ccccc1)c2cc(c(c(c2)O)O)O","O=C(Nc1ccccc1)c2cc(c(c(c2)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3723,470,"2-Bornanecarboxylic acid, 2-amino-","6266-05-3","CC1(C2(CCC1CC2(N)C(=O)O)C)C","CC1(C2(CCC1CC2(N)C(=O)O)C)C","CC1(C2(CCC1CC2(N)C(=O)O)C)C","CC1(C2(CCC1CC2(N)C(=O)O)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3724,null,"DIETHYLAMINE, HYDROBROMIDE","6274-12-0","Br","Br","Br","Br",4,0,0,"NO","NO","Eliminate","-",null,"Organic counterion, Inorganic"]
[3725,3172,"Benzenesulfonamide, 3-amino-4-methyl-","6274-28-8","Cc1c(cc(cc1)S(N)(=O)=O)N","Cc1c(cc(cc1)S(N)(=O)=O)N","Cc1c(cc(cc1)S(N)(=O)=O)N","Cc1c(cc(cc1)S(N)(=O)=O)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3726,502,"Lactamide, N-octyl-","6280-23-5","CCCCCCCCNC(=O)C(C)O","CCCCCCCCNC(=O)C(C)O","CCCCCCCCN=C(O)C(C)O","CCCCCCCCN=C(O)C(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3727,1078,"Lactamide, N-decyl-","6280-24-6","CCCCCCCCCCNC(=O)C(C)O","CCCCCCCCCCNC(=O)C(C)O","CCCCCCCCCCN=C(O)C(C)O","CCCCCCCCCCN=C(O)C(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3728,null,"propanoicacid,2-hydroxy-,1-methyl-2-oxo-2-(2-","6283-80-3",null,"C=CCOC(=O)C(C)OC(=O)C(C)O",null,"C=CCOC(=O)C(C)OC(=O)C(C)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3729,3333,"D-Glucitol, 1-deoxy-1-(methylamino)-","6284-40-8","CNCC(O)C(O)C(O)C(O)CO","CNCC(O)C(O)C(O)C(O)CO","CNCC(O)C(O)C(O)C(O)CO","CNCC(O)C(O)C(O)C(O)CO",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3730,2735,"Propanoic acid, 2-(acetyloxy)-, methyl ester","6284-75-9","COC(=O)C(C)OC(C)=O","COC(=O)C(C)OC(C)=O","COC(=O)C(C)OC(C)=O","COC(=O)C(C)OC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3731,null,"propanoicacid,2-[(methoxycarbonyl)oxy]-,methy","6288-11-5",null,"COC(=O)OC(C)C(=O)OC",null,"COC(=O)OC(C)C(=O)OC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3732,3681,"Glycine, N,N-bis(2-cyanoethyl)-","6295-23-4","N#CCCN(CCC#N)CC(=O)O","N#CCCN(CCC#N)CC(=O)O","N#CCCN(CCC#N)CC(=O)O","N#CCCN(CCC#N)CC(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3733,30,"5-Quinoxalinamine, 6,7-dimethoxy-","6295-30-3","COc1c(c(c2c(c1)nccn2)N)OC","COc1c(c(c2c(c1)nccn2)N)OC","COc1c(c(c2c(c1)nccn2)N)OC","COc1c(c(c2c(c1)nccn2)N)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3734,4090,"Urea, 1-methyl-1-p-tolyl-","6305-07-3","Cc1ccc(cc1)N(C)C(N)=O","Cc1ccc(cc1)N(C)C(N)=O",null,"Cc1ccc(cc1)N(C)C(N)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3735,3322,"2,4-DIMETHYL-1-PENTANOL","6305-71-1","CC(C)CC(C)CO","CC(C)CC(C)CO","CC(C)CC(C)CO","CC(C)CC(C)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3736,3557,"BENZAMIDE, 4-(AMINOSULFONYL)-","6306-24-7","NC(=O)c1ccc(cc1)S(N)(=O)=O","NC(=O)c1ccc(cc1)S(N)(=O)=O","NC(=O)c1ccc(cc1)S(N)(=O)=O","NC(=O)c1ccc(cc1)S(N)(=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3737,null,"2,4(1h,3h)-pyrimidinedione,5-methyl-1-(phenylme","6306-73-6",null,"Cc1c([nH]c(n(c1)Cc2ccccc2)=O)=O",null,"Cc1c([nH]c(n(c1)Cc2ccccc2)=O)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3738,2326,"1H-Imidazole-4-sulfonic acid, 5-methyl-","6307-14-8","Cc1c(nc[nH]1)S(=O)(=O)O","Cc1c(nc[nH]1)S(=O)(=O)O","Cc1c(nc[nH]1)S(=O)(=O)O","Cc1c(nc[nH]1)S(=O)(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3739,4274,"2,3-Quinoxalinedione, 1,4-dihydro-6-methyl-","6309-61-1","Cc1cc2c(cc1)[nH]c(=O)c(=O)[nH]2","Cc1cc2c(cc1)[nH]c(=O)c(=O)[nH]2","Cc1cc2c(cc1)[nH]c(=O)c(=O)[nH]2","Cc1cc2c(cc1)[nH]c(=O)c(=O)[nH]2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3740,3353,"Benzoic acid, 4-bromo-3-nitro-","6319-40-0","O=C(O)c1cc(c(cc1)Br)[N+](=O)[O-]","O=C(O)c1cc(c(cc1)Br)[N+](=O)[O-]","O=C(O)c1cc(c(cc1)Br)[N+](=O)[O-]","O=C(O)c1cc(c(cc1)Br)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3741,1692,"9-Acridinol, 9,10-dihydro-10-methyl-9-phenyl-","6321-72-8","CN1c2c(C(c3c1cccc3)(O)c4ccccc4)cccc2","CN1c2c(C(c3c1cccc3)(O)c4ccccc4)cccc2","CN1c2c(C(c3c1cccc3)(O)c4ccccc4)cccc2","CN1c2c(C(c3c1cccc3)(O)c4ccccc4)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3742,4106,"2-Cyclohexene-1,2-dicarboxylic acid, 1-methyl-","6321-87-5","CC1(C(=CCCC1)C(=O)O)C(=O)O","CC1(C(=CCCC1)C(=O)O)C(=O)O","CC1(C(=CCCC1)C(=O)O)C(=O)O","CC1(C(=CCCC1)C(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3743,null,"N-<2-cyano-ethyl>-L-leucine","6328-87-6",null,"CC(C)CC(NCCC#N)C(=O)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3744,92,"DL-Aspartic acid, N,N-bis(2-cyanoethyl)-","6328-90-1","N#CCCN(CCC#N)C(CC(=O)O)C(=O)O","N#CCCN(CCC#N)C(CC(=O)O)C(=O)O",null,"N#CCCN(CCC#N)C(CC(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3745,null,"1,2-Benzenedicarboxamide, N,N,N',N'-tetramethyl-","6329-16-4","CN(C)C(=O)c1c(cccc1)C(=O)N(C)C","CN(C)C(=O)c1c(cccc1)C(=O)N(C)C",null,"CC=1OC(C(N1)Cc2ccccc2)=O",2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[3746,75,"Benzeneacetic acid, 2,4-dimethyl-","6331-04-0","Cc1cc(c(cc1)CC(=O)O)C","Cc1cc(c(cc1)CC(=O)O)C","Cc1cc(c(cc1)CC(=O)O)C","Cc1cc(c(cc1)CC(=O)O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3747,623,"Acetic acid, [2-methoxy-4-(2-propenyl)phenoxy]-","6331-61-9","C=CCc1cc(c(cc1)OCC(=O)O)OC","C=CCc1cc(c(cc1)OCC(=O)O)OC","C=CCc1cc(c(cc1)OCC(=O)O)OC","C=CCc1cc(c(cc1)OCC(=O)O)OC",4,0,0,"NO","NO","Mantain","High Reliability","3851"]
[3748,1653,"TRICHOTHECIN","6379-69-7","CC=CC(=O)OC1C2(C3(C(OC(C1)C24OC4)C=C(C)C(=O)C3)C)C","CC=CC(=O)OC1C2(C3(C(OC(C1)C24OC4)C=C(C)C(=O)C3)C)C","CC=CC(=O)OC1C2(C3(C(OC(C1)C24OC4)C=C(C)C(=O)C3)C)C","CC=CC(=O)OC1C2(C3(C(OC(C1)C24OC4)C=C(C)C(=O)C3)C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3749,3777,"AMYL LACTATE","6382-06-5","CCCCCOC(=O)C(C)O","CCCCCOC(=O)C(C)O",null,"CCCCCOC(=O)C(C)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3750,4303,"Cloxyfonac","6386-63-6",null,"O=C(O)COc1c(cc(cc1)Cl)CO","O=C(O)COc1c(cc(cc1)Cl)CO","O=C(O)COc1c(cc(cc1)Cl)CO",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3751,1443,"Allyxycarb [BSI:ISO]","6392-46-7","C=CCN(CC=C)c1c(cc(cc1C)OC(=O)NC)C","C=CCN(CC=C)c1c(cc(cc1C)OC(=O)NC)C",null,"C=CCN(CC=C)c1c(cc(cc1C)OC(=O)NC)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3752,null,"1,3-Benzenesulfonic acid, 2,5-diamino","6409-48-9",{"$nulls":3},"Nc1cc(c(c(c1)S(=O)(=O)O)N)S(=O)(=O)O",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3753,2046,"(Nitrilotris(methylene))triphosphonic acid","6419-19-8","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[3754,945,"3-chlorodiphenylether","6452-49-9","Clc1cc(ccc1)Nc2ccccc2","Clc1cc(ccc1)Oc2ccccc2","Clc1cc(ccc1)Oc2ccccc2","Clc1cc(ccc1)Oc2ccccc2",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[3755,null,"2H-Pyran-3-carboxylic acid, 2-oxo-6-phenyl-, eth","6465-14-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3756,null,"Glycine, N-methyl-N-[[(phenylmethyl)thio]thioxom","6477-73-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3757,null,"Glycine, N-(dithiocarboxy)-N-phenyl-, S-benzyl e","6477-90-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3758,135,"(R)-(-)-CARVONE","6485-40-1","C=C(C)C1CC(C(=CC1)C)=O","C=C(C)C1CC(C(=CC1)C)=O","C=C(C)C1CC(C(=CC1)C)=O","C=C(C)C1CC(C(=CC1)C)=O",4,0,0,"NO","NO","Mantain","High Reliability","847, 1907, 3146","Stereochemistry removed"]
[3759,1089,"Salicylanilide, 4'-chloro-5-nitro-","6490-98-8","O=C(Nc1ccc(cc1)Cl)c2c(ccc(c2)[N+](=O)[O-])O","O=C(Nc1ccc(cc1)Cl)c2c(ccc(c2)[N+](=O)[O-])O","O=C(Nc1ccc(cc1)Cl)c2c(ccc(c2)[N+](=O)[O-])O","O=C(Nc1ccc(cc1)Cl)c2c(ccc(c2)[N+](=O)[O-])O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3760,1090,"Salicylanilide, 4'-chloro-3-nitro-","6490-99-9","O=C(Nc1ccc(cc1)Cl)c2c(c(ccc2)[N+](=O)[O-])O","O=C(Nc1ccc(cc1)Cl)c2c(c(ccc2)[N+](=O)[O-])O","O=C(Nc1ccc(cc1)Cl)c2c(c(ccc2)[N+](=O)[O-])O","O=C(Nc1ccc(cc1)Cl)c2c(c(ccc2)[N+](=O)[O-])O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3761,3711,"Alanine, N-(2-bromo-3-methylbutyryl)-, DL-","6491-36-7","CC(NC(=O)C(Br)C(C)C)C(=O)O",null,"CC(N=C(O)C(Br)C(C)C)C(=O)O","CC(N=C(O)C(Br)C(C)C)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[3762,1045,"Pentoxifylline","6493-05-6","CC(=O)CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O","CC(=O)CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O","CC(=O)CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O","CC(=O)CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3763,654,"Benzoic acid, 4-hydroxy-, pentyl ester","6521-29-5","CCCCCOC(=O)c1ccc(cc1)O","CCCCCOC(=O)c1ccc(cc1)O","CCCCCOC(=O)c1ccc(cc1)O","CCCCCOC(=O)c1ccc(cc1)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3764,1749,"Norgestrel","6533-00-2","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)CC)O","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)CC)O",null,"C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)CC)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[3765,4284,"1,3-Benzodioxole-5-acetaldehyde","6543-34-6","O=CCc1cc2c(cc1)OCO2","O=CCc1cc2c(cc1)OCO2","O=CCc1cc2c(cc1)OCO2","O=CCc1cc2c(cc1)OCO2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3766,null,"4-oxo-1,2,3,4-tetrahydro-<2>naphthoic acid","6566-40-1",null,"O=C1c2c(CC(C1)C(=O)O)cccc2",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3767,2524,"NORVALINE","6600-40-4","CCCC(N)C(=O)O","CCCC(N)C(=O)O","CCCC(N)C(=O)O",null,3,0,1,"NO","NO","Mantain","Medium Reliability","1900, 2675","Stereochemistry removed"]
[3768,4123,"eglinazineethyl","6616-80-4",null,"CCNc1nc(nc(n1)Cl)NCC(=O)OCC",null,"CCNc1nc(nc(n1)Cl)NCC(=O)OCC",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[3769,2789,"L-Serine, N-L-seryl-","6620-95-7","NC(CO)C(=O)NC(CO)C(=O)O","NC(CO)C(=O)NC(CO)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[3770,null,"butyricacid,2-formamido-3-methoxy-,dl-","6622-23-7",null,"CC(C)Oc1ccc(cc1)COc2c(cc(cc2)CC(=O)O)Cl",null,"CC(C)Oc1ccc(cc1)COc2c(cc(cc2)CC(=O)O)Cl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3771,2663,"1,2-Cyclopentanedione, dioxime","6635-29-6","ON=C1C(CCC1)=NO","O=NC=1CCCC1NO",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[3772,null,"sulfone,1-bromoethylethyl","6668-12-8","CCS(=O)(=O)C(C)Br","COc1c(cc(cc1)C)NC(=S)NN=Cc2cc(ccc2)[N+](=O)[O-]",null,"COc1c(cc(cc1)C)NC(=S)NN=Cc2cc(ccc2)[N+](=O)[O-]",2,1,1,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[3773,399,"2-Pyrrolidinone, 5-methyl-1-phenyl-","6724-71-6","CC1N(C(CC1)=O)c2ccccc2","CC1N(C(CC1)=O)c2ccccc2","CC1N(C(CC1)=O)c2ccccc2","CC1N(C(CC1)=O)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3774,1529,"Di-tert-butylperoxy-3,3,5-trimethylcyclohexane p","6731-36-8",null,"CC1CC(CC(C1)(C)C)(OOC(C)(C)C)OOC(C)(C)C","CC1CC(CC(C1)(C)C)(OOC(C)(C)C)OOC(C)(C)C","CC1CC(CC(C1)(C)C)(OOC(C)(C)C)OOC(C)(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3775,null,"1,2-benzenedicarboxylicacid,3-nitro-,2-methyl","6744-85-0",null,"COC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",null,"COC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3776,null,"Phthalic acid, 3-nitro-, 2-propyl ester","6744-86-1","CC(C)OC(=O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O",null,"CCCOC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]","CCCOC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[3777,368,"Phthalic acid, 3-nitro-, 2-isopropyl ester","6744-87-2","CC(C)OC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",null,"CC(C)OC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]","CC(C)OC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3778,null,"Phthalic acid, 3-nitro-, 2-isobutyl ester","6744-88-3","CC(C)(C)OC(=O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O",null,"CC(C)COC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]","CC(C)COC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[3779,null,"Phthalic acid, 3-nitro-, isopentyl ester","6744-92-9","CC(C)CCOC(=O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3780,4120,"phosphinic acid, mesityl-","6781-97-1","Cc1cc(c(c(c1)C)P(=O)O)C",null,"Cc1cc(c(c(c1)C)P(=O)O)C","Cc1cc(c(c(c1)C)P(=O)O)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3781,2560,"SEC-BUTYL METHYL ETHER","6795-87-5","CCC(C)OC","CCC(C)OC",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3782,2827,"1,3-Propanediol, 2-(2-propenyloxy)-","6806-76-4","C=CCOC(CO)CO",{"$nulls":3},1,0,3,"NO","NO","Mantain","Medium Reliability","","Checked on ChemID, Checked on PubChem"]
[3783,1981,"Guanidine, N-methyl-N,N'-dinitro-","6810-09-9","CN(C(=N)N[N+](=O)[O-])[N+](=O)[O-]","CN(C(N)=N[N+](=O)[O-])[N+](=O)[O-]",null,"CN(C(N)=N[N+](=O)[O-])[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[3784,2548,"Thiourea, (1-methylpropyl)-","6814-99-9","CCC(C)NC(N)=S","CCC(C)NC(N)=S",null,"CCC(C)NC(N)=S",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[3785,null,"Phthalic acid, 3-nitro-, 2 ethyl ester","6828-46-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3786,null,"Phthalic acid, 3-nitro-, 2-butyl ester","6828-47-3","CCC(C)OC(=O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O",null,"CCCCOC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]","CCCCOC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[3787,916,"3,4'-Dichlorodiphenyl ether","6842-62-2",null,"Clc1ccc(cc1)Oc2cc(ccc2)Cl","Clc1ccc(cc1)Oc2cc(ccc2)Cl",null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3788,3757,"1,2-DIMETHYLCYCLOHEXANE (TRANS)","6876-23-9","CC1C(CCCC1)C","CC1C(CCCC1)C","CC1C(CCCC1)C","CC1C(CCCC1)C",4,0,0,"NO","NO","Mantain","High Reliability","2239, 3125","Stereochemistry removed"]
[3789,1286,"O-(4-HYDROXY-3-IODOPHENYL)-3,5-DIIODO-L-TYROSINE","6893-02-3","NC(Cc1cc(c(c(c1)I)Oc2cc(c(cc2)O)I)I)C(=O)O","NC(Cc1cc(c(c(c1)I)Oc2cc(c(cc2)O)I)I)C(=O)O","NC(Cc1cc(c(c(c1)I)Oc2cc(c(cc2)O)I)I)C(=O)O","NC(Cc1cc(c(c(c1)I)Oc2cc(c(cc2)O)I)I)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3790,2701,"D-Glutamic acid","6893-26-1","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","111, 1536, 1582, 2458, 3792","Stereochemistry removed"]
[3791,2178,"Serine","6898-95-9","NC(CO)C(=O)O","NC(CO)C(=O)O","NC(CO)C(=O)O",null,3,0,1,"NO","NO","Mantain","Medium Reliability","97, 1711, 1719","Stereochemistry removed"]
[3792,2701,"Glutamic acid","6899-05-4","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",null,"NC(CCC(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","111, 1536, 1582, 2458, 3790","Stereochemistry removed"]
[3793,917,"2,4'-DICHLORODIPHENYL ETHER","6903-65-7","Clc1ccc(cc1)Oc2c(cccc2)Cl","Clc1ccc(cc1)Oc2c(cccc2)Cl","Clc1ccc(cc1)Oc2c(cccc2)Cl","Clc1ccc(cc1)Oc2c(cccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3794,413,"Acetamide, N,N'-(phenylmethylene)bis-","6907-68-2","CC(=O)NC(NC(C)=O)c1ccccc1","CC(=O)NC(NC(C)=O)c1ccccc1","CC(=O)NC(NC(C)=O)c1ccccc1","CC(=O)NC(NC(C)=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3795,null,"Benzenesulfonamide, 4-amino-N-(1,2,3,4-tetrahydr","6912-98-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3796,2351,"MALIC ACID","6915-15-7","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","2455, 2595"]
[3797,3254,"AZODRIN","6923-22-4","CNC(=O)C=C(C)OP(=O)(OC)OC","CNC(=O)C=C(C)OP(=O)(OC)OC","CNC(=O)C=C(C)OP(=O)(OC)OC","CNC(=O)C=C(C)OP(=O)(OC)OC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3798,3362,"BENZENE, 1,2,4,5-TETRACHLORO-3-METHOXY-","6936-40-9","COc1c(c(cc(c1Cl)Cl)Cl)Cl","COc1c(c(cc(c1Cl)Cl)Cl)Cl",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3799,3290,"D-Galactose, (aminocarbonyl)hydrazone","6936-69-2","NC(=O)NN=CC(O)C(O)C(O)C(O)CO","NC(=O)NN=CC(O)C(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)C(O)CO",4,0,0,"NO","NO","Mantain","High Reliability","4350, 4742","Stereochemistry removed"]
[3800,null,"NICOTINIC ACID, BUTYL ESTER","6938-06-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3801,2784,"Propanamide, 2,2'-thiobis-","6944-30-5","CC(SC(C)C(N)=O)C(N)=O","CC(SC(C)C(N)=O)C(N)=O","CC(SC(C)C(N)=O)C(N)=O","CC(SC(C)C(N)=O)C(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3802,80,"1,3-propanediol,monobenzoate","6946-99-2","O=C(O)c1ccccc1","O=C(OCCCO)c1ccccc1","O=C(OCCCO)c1ccccc1","O=C(OCCCO)c1ccccc1",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[3803,173,"Butanoic acid, 3-oxo-, cyclohexyl ester","6947-02-0","CC(=O)CC(=O)OC1CCCCC1","CC(=O)CC(=O)OC1CCCCC1","CC(=O)CC(=O)OC1CCCCC1",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3804,3472,"Pteridine, 4-(methylthio)-","6966-78-5","CSc1c2c(ncn1)nccn2","CSc1c2c(ncn1)nccn2","CSc1c2c(ncn1)nccn2","CSc1c2c(ncn1)nccn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3805,406,"DIOXACARB","6988-21-2","CNC(=O)Oc1c(cccc1)C2OCCO2","CNC(=O)Oc1c(cccc1)C2OCCO2","CNC(=O)Oc1c(cccc1)C2OCCO2","CNC(=O)Oc1c(cccc1)C2OCCO2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3806,2848,"Isoleucine","7004-09-3","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","301, 1724, 1789, 3328","Stereochemistry removed"]
[3807,2916,"DMAMP","7005-47-2","CN(C)C(C)(C)CO","CN(C)C(C)(C)CO","CN(C)C(C)(C)CO","CN(C)C(C)(C)CO",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[3808,946,"4-CHLOROPHENYL PHENYL ETHER","7005-72-3","Clc1ccc(cc1)Oc2ccccc2","Clc1ccc(cc1)Oc2ccccc2","Clc1ccc(cc1)Oc2ccccc2","Clc1ccc(cc1)Oc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3809,2399,"Asparagine","7006-34-0","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","275","Stereochemistry removed"]
[3810,873,"2,4,4'-TRICHLOROBIPHENYL","7012-37-5","Clc1ccc(cc1)-c2c(cc(cc2)Cl)Cl","Clc1ccc(cc1)-c2c(cc(cc2)Cl)Cl","Clc1ccc(cc1)-c2c(cc(cc2)Cl)Cl","Clc1ccc(cc1)-c2c(cc(cc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3811,null,"7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-","7029-96-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3812,null,"n-nitrosomethylbutylamine","7068-83-9","CCCCNCN=O","CCCCN(C)N=O","CCCCN(C)N=O","CCCCN(C)N=O",3,1,0,"NO","NO","Manual Check","Verify Name"]
[3813,4052,"BENZENE, 1-BROMO-2-(1-METHYLETHYL)-","7073-94-1","CC(C)c1c(cccc1)Br","CC(C)c1c(cccc1)Br","CC(C)c1c(cccc1)Br","CC(C)c1c(cccc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3814,26,"MCPP","7085-19-0","Cc1c(ccc(c1)Cl)OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",null,"Cc1c(ccc(c1)Cl)OC(C)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","707, 4103"]
[3815,249,"Phosphinic acid, dibutyl-, ethyl ester","7100-92-7","CCCCP(=O)(CCCC)OCC",null,null,"CCCCP(=O)(CCCC)OCC",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[3816,537,"BENZENAMINE, 4-[(4-CHLOROPHENYL)SULFONYL]-","7146-68-1","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)Cl","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)Cl","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)Cl","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3817,3448,"4-CHLORO-5-METHYL-2-NITROPHENOL","7147-89-9","Cc1c(cc(c(c1)O)[N+](=O)[O-])Cl","Cc1c(cc(c(c1)O)[N+](=O)[O-])Cl","Cc1c(cc(c(c1)O)[N+](=O)[O-])Cl","Cc1c(cc(c(c1)O)[N+](=O)[O-])Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3818,null,"4-picoline,2-chloro-6-methoxy-alpha,alpha,alpha","7159-34-4",null,"COc1nc(cc(c1)C(Cl)(Cl)Cl)Cl",null,"COc1nc(cc(c1)C(Cl)(Cl)Cl)Cl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3819,632,"Acetamide, N-acetyl-N-(4-ethoxyphenyl)-","7174-45-0","CCOc1ccc(cc1)N(C(C)=O)C(C)=O",null,"CCOc1ccc(cc1)N(C(C)=O)C(C)=O","CCOc1ccc(cc1)N(C(C)=O)C(C)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3820,null,"Phosphoric acid, dibutyl ethyl ester","7242-58-2","CCCCOP(=O)(OCC)OCCCC","[W+3]",null,"[W]",0,2,2,"YES","NO","Eliminate","-",null,"Unusual elements, Inorganic, Missing/ambiguous"]
[3821,4216,"Phosphoric acid, dibutyl methyl ester","7242-59-3","CCCCOP(=O)(OC)OCCCC","CCCCOP(=O)(OC)OCCCC","CCCCOP(=O)(OC)OCCCC","CCCCOP(=O)(OC)OCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3822,291,"5-Quinolinecarboxylic acid","7250-53-5","O=C(O)c1c2c(ccc1)nccc2","O=C(O)c1c2c(ccc1)nccc2","O=C(O)c1c2c(ccc1)nccc2","O=C(O)c1c2c(ccc1)nccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3823,2772,"D-Mannitol, 1,6-dichloro-1,6-dideoxy-","7251-85-6","OC(CCl)C(O)C(O)C(O)CCl","OC(CCl)C(O)C(O)C(O)CCl",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[3824,3906,"CHLORAMBEN, METHYL ESTER","7286-84-2","COC(=O)c1c(c(cc(c1)Cl)N)Cl","COC(=O)c1c(c(cc(c1)Cl)N)Cl","COC(=O)c1c(c(cc(c1)Cl)N)Cl","COC(=O)c1c(c(cc(c1)Cl)N)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3825,208,"PROMETRYNE","7287-19-6","CSc1nc(nc(n1)NC(C)C)NC(C)C","CSc1nc(nc(n1)NC(C)C)NC(C)C","CSc1nc(nc(n1)NC(C)C)NC(C)C","CSc1nc(nc(n1)NC(C)C)NC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3826,null,"monalide(potablan)","7287-36-7",null,"CCCC(C)(C)C(=O)Nc1ccc(cc1)Cl",null,"CCCC(C)(C)C(=O)Nc1ccc(cc1)Cl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3827,null,"Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid,","7288-32-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3828,1065,"PROPAPHOS","7292-16-2","CCCOP(=O)(OCCC)Oc1ccc(cc1)SC","CCCOP(=O)(OCCC)Oc1ccc(cc1)SC","CCCOP(=O)(OCCC)Oc1ccc(cc1)SC","CCCOP(=O)(OCCC)Oc1ccc(cc1)SC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3829,3815,"2,2,3-TRIMETHYL-3-PENTANOL","7294-05-5","CCC(C)(O)C(C)(C)C","CCC(C)(O)C(C)(C)C","CCC(C)(O)C(C)(C)C","CCC(C)(O)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3830,3760,"Butanediamide, N,N,N',N'-tetramethyl-","7334-51-2","CN(C)C(=O)CCC(=O)N(C)C","CN(C)C(=O)CCC(=O)N(C)C",null,"CN(C)C(=O)CCC(=O)N(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3831,null,"3,5-Dimethyl-4-thia-hepta-2,5-diendioic acid","7345-19-9","CC(=CC(=O)O)SC(C)=CC(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3832,null,"Benzoylamino-phenyl-acetic acid","7352-07-0","O=C(NC(C(=O)O)c1ccccc1)c2ccccc2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[3833,null,"Propanoic acid, 3,3'-diselenobis-","7370-58-3","O=C(O)CC[Se][Se]CCC(=O)O","O=C(O)CC[Se][Se]CCC(=O)O","O=C(O)CC[Se][Se]CCC(=O)O","O=C(O)CC[Se][Se]CCC(=O)O",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[3834,4161,"4,6-BIS(ISOPROPYLAMINO)-S-TRIAZIN-2-OL","7374-53-0","CC(C)Nc1nc(nc(n1)O)NC(C)C","CC(C)Nc1[nH]c(nc(n1)=O)NC(C)C",null,"CC(C)Nc1[nH]c(nc(n1)=O)NC(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3835,2714,"2,5-Piperazinedione, 1,4-bis(hydroxymethyl)-","7383-56-4","O=C1N(CC(N(C1)CO)=O)CO","O=C1N(CC(N(C1)CO)=O)CO","O=C1N(CC(N(C1)CO)=O)CO","O=C1N(CC(N(C1)CO)=O)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3836,3174,"BARBITURIC ACID, 5-IPR","7391-69-7",null,"CC(C)C1C(NC(NC1=O)=O)=O","CC(C)C1C(=NC(N=C1O)=O)O","CC(C)C1C(=NC(N=C1O)=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3837,344,"Phosphonic acid, 1-naphthalenyl-","7402-93-9","O=P(O)(O)c1c2c(ccc1)cccc2","O=P(O)(O)c1c2c(ccc1)cccc2",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[3838,3430,"4-Benzothiazolol","7405-23-4","Oc1c2c(ccc1)scn2","Oc1c2c(ccc1)scn2","Oc1c2c(ccc1)scn2","Oc1c2c(ccc1)scn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3839,1426,"Phosphonic acid, 4-morpholinyl-, diphenyl ester","7412-25-1","O=P(Oc1ccccc1)(Oc2ccccc2)N3CCOCC3","O=P(Oc1ccccc1)(Oc2ccccc2)N3CCOCC3",null,"O=P(Oc1ccccc1)(Oc2ccccc2)N3CCOCC3",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3840,2126,"N-Methyl-N-nitrosoacetamide","7417-67-6","CC(=O)N(C)N=O","CC(=O)N(C)N=O","CC(=O)N(C)N=O","CC(=O)N(C)N=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3841,923,"ENDRIN ALDEHYDE","7421-93-4","O=CC1C2C3C(C1)C4C5(C3(C(C2(C54Cl)Cl)(Cl)Cl)Cl)Cl","O=CC1C2C3C(C1)C4C5(C3(C(C2(C54Cl)Cl)(Cl)Cl)Cl)Cl","O=CC1C2C3C(C1)C4C5(C3(C(C2(C54Cl)Cl)(Cl)Cl)Cl)Cl","O=CC1C2C3C(C1)C4C5(C3(C(C2(C54Cl)Cl)(Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3842,null,"SULFUR DIOXIDE","7446-09-5","O=S=O","O=S=O","O=S=O","O=S=O",4,0,0,"NO","NO","Eliminate","-",null,"Inorganic"]
[3843,3946,"Benzenamine, N-ethyl-2,4,6-trinitro-","7449-27-6","CCNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","CCNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","CCNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","CCNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3844,41,"M-ACETYLAMINOACETOPHENONE","7463-31-2","CC(=O)Nc1cc(ccc1)C(C)=O","CC(=O)Nc1cc(ccc1)C(C)=O",null,"CC(=O)Nc1cc(ccc1)C(C)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3845,3460,"4-Benzothiazolol, 2-amino-","7471-03-6","Nc1sc2c(n1)c(O)ccc2","Nc1sc2c(n1)c(O)ccc2","Nc1sc2c(n1)c(O)ccc2","Nc1sc2c(n1)c(O)ccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3846,null,"3-furancarboxylicacid,tetrahydro-3-methyl-2-ox","7473-09-8",null,"CC1(C(OCC1)=O)C(=O)O",null,"CC1(C(OCC1)=O)C(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3847,null,"1,2-Anthracenedicarboxylic acid, 9,10-dihydro-9,","7475-29-8",null,"O=C(O)c1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)C(=O)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3848,4115,"CYTIDINE, 2',3'-DIDEOXY-","7481-89-2","Nc1nc(n(cc1)C2OC(CC2)CO)=O","Nc1nc(n(cc1)C2OC(CC2)CO)=O","Nc1nc(n(cc1)C2OC(CC2)CO)=O","Nc1nc(n(cc1)C2OC(CC2)CO)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3849,null,"BENZ[a]ANTHRACENE, 9-FLUORO-7-METHYL-","7496-10-8","Cc1c2c(cc3c1cc(F)cc3)c4c(cc2)cccc4","Cc1c2c(cc3c1cc(Cl)cc3)c4c(cc2)cccc4","Cc1c2c(cc3c1cc(F)cc3)c4c(cc2)cccc4","Cc1c2c(cc3c1cc(Cl)cc3)c4c(cc2)cccc4",2,2,0,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3850,3784,"1,4-DIOXANE, 2,5-DIMETHOXY-2,5-DIMETHYL-","7504-90-7","COC1(OCC(OC1)(C)OC)C","COC1(OCC(OC1)(C)OC)C","COC1(OCC(OC1)(C)OC)C","COC1(OCC(OC1)(C)OC)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3851,623,"Acetic acid, [2-methoxy-4-(1-propenyl)phenoxy]-","7510-46-5","CC=Cc1cc(c(cc1)OCC(=O)O)OC","CC=Cc1cc(c(cc1)OCC(=O)O)OC","CC=Cc1cc(c(cc1)OCC(=O)O)OC","CC=Cc1cc(c(cc1)OCC(=O)O)OC",4,0,0,"NO","NO","Mantain","High Reliability","3747","Stereochemistry removed"]
[3852,null,"1,2-Benzenedicarboxylic acid, 1,2-ethanediyl est","7517-39-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3853,1076,"Azacyclotetradecan-2-one","7518-64-1","O=C1NCCCCCCCCCCCC1",null,"OC=1CCCCCCCCCCCCN1","OC=1CCCCCCCCCCCCN1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3854,3393,"Benzenemethanol, 3,4,5-trichloro-","7520-67-4","OCc1cc(c(c(c1)Cl)Cl)Cl",null,"OCc1cc(c(c(c1)Cl)Cl)Cl","OCc1cc(c(c(c1)Cl)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3855,null,"2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3,","7525-08-8",{"$nulls":3},"O=c1c2=c(cc(c1=NNc3ccccc3)S(=O)(=O)O)cc(S(=O)(=O)O)c(=NNc4ccccc4)c2=O",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3856,null,"IODINE","7553-56-2","I","II","II","II",3,1,0,"NO","NO","Eliminate","-",null,"Inorganic"]
[3857,3884,"8-Quinazolinol","7557-02-0","Oc1c2c(ccc1)cncn2",null,"Oc1c2c(ccc1)cncn2","Oc1c2c(ccc1)cncn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3858,null,"PHOSPHORIC ACID, MONOSODIUM SALT","7558-80-7",null,null,"O=P(O)(O)O","O=P(O)(O)O",2,0,2,"NO","NO","Eliminate","-",null,"Inorganic"]
[3859,3829,"Butane-1-thiosulfinic acid S-butyl ester","7559-55-9","CCCCSS(=O)CCCC",null,null,"CCCCSS(=O)CCCC",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[3860,3687,"phenylethanolamine","7568-93-6","NCC(O)c1ccccc1","NCC(O)c1ccccc1","OCCNc1ccccc1","NCC(O)c1ccccc1",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[3861,2383,"2,3-DICHLOROBUTANE","7581-97-7","CC(Cl)C(C)Cl","CC(Cl)C(C)Cl","CC(Cl)C(C)Cl","CC(Cl)C(C)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3862,527,"2-Furancarboxamide, N-hydroxy-N-phenyl-","7630-14-0","O=C(c1occc1)N(O)c2ccccc2",null,"O=C(c1occc1)N(O)c2ccccc2","O=C(c1occc1)N(O)c2ccccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3863,null,"HYDROGEN FLUORIDE","7664-39-3","F","F","F","F",4,0,0,"NO","NO","Eliminate","-",null,"Inorganic"]
[3864,null,"SULFURIC ACID","7664-93-9","O=S(=O)(O)O","O=S(=O)(O)O","O=S(=O)(O)O","O=S(=O)(O)O",4,0,0,"NO","NO","Eliminate","-",null,"Inorganic"]
[3865,null,"1,2-Benzisothiazol-3-amine, N-phenyl-, 1,1-dioxi","7668-23-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3866,3453,"1,2-Benzisothiazol-3-amine, 1,1-dioxide","7668-28-2","NC=1c2c(S(N1)(=O)=O)cccc2","NC=1c2c(S(N1)(=O)=O)cccc2","NC=1c2c(S(N1)(=O)=O)cccc2","NC=1c2c(S(N1)(=O)=O)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3867,null,"NICOTINIC ACID, PROPYL ESTER","7681-15-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Organic counterion, Missing/ambiguous"]
[3868,3139,"RONIDAZOLE","7681-76-7","Cn1c(ncc1[N+](=O)[O-])COC(N)=O","Cn1c(ncc1[N+](=O)[O-])COC(N)=O","Cn1c(ncc1[N+](=O)[O-])COC(N)=O","Cn1c(ncc1[N+](=O)[O-])COC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3869,null,"PIMARICIN (Natamycin)","7681-93-8",null,null,"CC1OC(C=CC2C(CC(CC3(OC(CC(C=CC=CC=CC=CC1)OC4(C(C(C(C(O4)C)O)N)O)C)C(C(C3)O)C(=O)O)O)O)O2)=O","CC1OC(C=CC2C(CC(CC3(OC(CC(C=CC=CC=CC=CC1)OC4(C(C(C(C(O4)C)O)N)O)C)C(C(C3)O)C(=O)O)O)O)O2)=O",2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Stereochemistry removed"]
[3870,3746,"DL-Norleucine, N-acetyl-","7682-16-8","CCCCC(NC(C)=O)C(=O)O","CCCCC(NC(C)=O)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","4898","Checked on PubChem"]
[3871,1655,"PHTHALTHRIN","7696-12-0","CC(C)=CC1C(C1C(=O)OCN2C(C3=C(C2=O)CCCC3)=O)(C)C","CC(C)=CC1C(C1C(=O)OCN2C(C3=C(C2=O)CCCC3)=O)(C)C","CC(C)=CC1C(C1C(=O)OCN2C(C3=C(C2=O)CCCC3)=O)(C)C","CC(C)=CC1C(C1C(=O)OCN2C(C3=C(C2=O)CCCC3)=O)(C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3872,1198,"CROTOXYPHOS","7700-17-6","COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1","COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1","COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1","COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3873,510,"1-Naphthalenecarboxylic acid, 2-chloro-","7720-42-5","O=C(O)c1c2c(ccc1Cl)cccc2",null,"O=C(O)c1c2c(ccc1Cl)cccc2","O=C(O)c1c2c(ccc1Cl)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3874,null,"HYDROGEN PEROXIDE","7722-84-1","OO","OO","OO","OO",4,0,0,"NO","NO","Eliminate","-",null,"Inorganic"]
[3875,null,"TETRASODIUM PYROPHOSPHATE","7722-88-5","O=P(O)(O)OP(=O)(O)O","O=P(O)(O)OP(=O)(O)O","O=P(O)(O)OP(=O)(O)O","O=P(O)(O)OP(=O)(O)O",4,0,0,"NO","NO","Eliminate","-",null,"Inorganic"]
[3876,null,"BROMINE","7726-95-6","Br","Br","BrBr","BrBr",2,2,0,"YES","NO","Eliminate","-",null,"Inorganic, Missing/ambiguous"]
[3877,null,"NITROGEN","7727-37-9","[NH2]","[N-]=[NH2+]","[N-]=[NH2+]","[N-]=[NH2+]",3,1,0,"NO","NO","Eliminate","-",null,"Inorganic"]
[3878,null,"POTASSIUM IODATE","7758-05-6","[O-][I+2]([O-])[O-]","[O-][I+2]([O-])[O-]","[O-][I+2]([O-])[O-]","[O-][I+2]([O-])[O-]",4,0,0,"NO","NO","Eliminate","-",null,"Inorganic"]
[3879,null,"COPPER SULFATE PENTAHYDRATE","7758-99-8","O=S(=O)(O)O","O=S(=O)(O)O","O=S(=O)(O)O","O=S(=O)(O)O",4,0,0,"NO","NO","Eliminate","-",null,"Organometallic, Inorganic"]
[3880,165,"2-METHYL-5-(1-METHYLETHENYL)CYCLOHEXANONE","7764-50-3","C=C(C)C1CC(C(CC1)C)=O","C=C(C)C1CC(C(CC1)C)=O","C=C(C)C1CC(C(CC1)C)=O","C=C(C)C1CC(C(CC1)C)=O",4,0,0,"NO","NO","Mantain","High Reliability","1906"]
[3881,null,"ARSENIC ACID","7778-39-4","O=[As](O)(O)O","O=[As](O)(O)O","O=[As](O)(O)O","O=[As](O)(O)O",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements, Inorganic"]
[3882,null,"OXYGEN","7782-44-7","O","O=O","O=O","O=O",3,1,0,"NO","NO","Eliminate","-",null,"Inorganic"]
[3883,null,"CHLORINE","7782-50-5","Cl","ClCl","ClCl","ClCl",3,1,0,"NO","NO","Eliminate","-",null,"Inorganic"]
[3884,null,"HYDROGEN SULFIDE","7783-06-4","S","S","S","S",4,0,0,"NO","NO","Eliminate","-",null,"Inorganic"]
[3885,3239,"MEVINPHOS","7786-34-7","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",4,0,0,"NO","NO","Mantain","High Reliability","1688, 4428","Stereochemistry removed"]
[3886,2089,"1,1,1-TRICHLOROPROPANE","7789-89-1","CCC(Cl)(Cl)Cl","CCC(Cl)(Cl)Cl","CCC(Cl)(Cl)Cl","CCC(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3887,null,"TERPINEOL","8000-41-7","C=C(C)C1CCC(CC1)(C)O","CC=1CCC(CC1)C(C)(C)O",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3888,3837,"DEMETON","8000-97-3","CCOP(=O)(OCC)SCCSCC","CCOP(=O)(OCC)SCCSCC",null,null,2,0,2,"NO","NO","Mantain","High Reliability","1464","Organic counterion, Checked on ChemID, Checked on PubChem"]
[3889,1140,"Acriflavine","8048-52-0","C[n+]1c2c(cc3c1cc(N)cc3)ccc(N)c2","C[n+]1c2c(cc3c1cc(N)cc3)ccc(N)c2",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Organic counterion, Checked on ChemID, Checked on PubChem"]
[3890,1056,"BUFENCARB","8065-36-9","CCCC(C)c1cc(ccc1)OC(=O)NC","CCCC(C)c1cc(ccc1)OC(=O)NC",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Organic counterion, Checked on ChemID, Checked on PubChem"]
[3891,null,"Ethylcellulose","9004-57-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3892,2311,"3-HYDROXY-5-METHYLISOXAZOLE","10004-44-1","Cc1onc(c1)O","Cc1o[nH]c(c1)=O","Cc1o[nH]c(c1)=O","Cc1o[nH]c(c1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3893,238,"Ethanol, 2-(octyloxy)-","10020-43-6","CCCCCCCCOCCO","CCCCCCCCOCCO","CCCCCCCCOCCO","CCCCCCCCOCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3894,2692,"Butanenitrile, 2-hydroxy-3-methyl-, (R)-","10021-64-4","CC(C)C(O)C#N",null,"CC(C)C(O)C#N","CC(C)C(O)C#N",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[3895,481,"1,5-pentanediol,dipropanoate","10025-09-9","OCCCCCO","CCC(=O)OCCCCCOC(=O)CC","CCC(=O)OCCCCCOC(=O)CC","CCC(=O)OCCCCCOC(=O)CC",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[3896,null,"1-butanol,2-ethyl-,acetate","10031-87-5","CCC(CC)CO","CCC(CC)COC(C)=O","CCC(CC)COC(C)=O","CCC(CC)COC(C)=O",3,1,0,"NO","NO","Manual Check","Verify Name"]
[3897,1528,"1-LAURYL-4-CARBOXY-2-PYRROLIDONE","10054-21-4","CCCCCCCCCCCCN1C(CC(C1)C(=O)O)=O","CCCCCCCCCCCCN1C(CC(C1)C(=O)O)=O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3898,2062,"1,3-DICHLOROPROPENE, (Z)","10061-01-5",null,"ClC=CCCl","ClC=CCCl","ClC=CCCl",3,0,1,"NO","NO","Mantain","Medium Reliability","3899","Stereochemistry removed"]
[3899,2062,"1,3-DICHLOROPROPENE (TRANS)","10061-02-6",null,"ClC=CCCl","ClC=CCCl","ClC=CCCl",3,0,1,"NO","NO","Mantain","Medium Reliability","3898","Stereochemistry removed"]
[3900,452,"Benzeneethanol, 4-(1-methylethyl)-","10099-57-7","CC(C)c1ccc(cc1)CCO","CC(C)c1ccc(cc1)CCO","CC(C)c1ccc(cc1)CCO","CC(C)c1ccc(cc1)CCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3901,598,"1H-Isoindole-1,3(2H)-dione, 2-(1-methylpropyl)-","10108-61-9","CCC(C)N1C(c2c(C1=O)cccc2)=O","CCC(C)N1C(c2c(C1=O)cccc2)=O","CCC(C)N1C(c2c(C1=O)cccc2)=O","CCC(C)N1C(c2c(C1=O)cccc2)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3902,1827,"MINOCYCLINE","10118-90-8",null,null,"CN(C)c1c2c(c(cc1)O)C(C=3C(C2)CC4C(C(C(=C(C4N(C)C)O)C(N)=O)=O)(O)C3O)=O","CN(C)c1c2c(c(cc1)O)C(C=3C(C2)CC4C(C(C(=C(C4N(C)C)O)C(N)=O)=O)(O)C3O)=O",2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[3903,704,"Succinamic acid, N,N'-dipropyl-, ethyl ester","10143-31-4","CCCN(CCC)C(=O)CCC(=O)OCC","CCCN(CCC)C(=O)CCC(=O)OCC",null,"CCCN(CCC)C(=O)CCC(=O)OCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3904,3143,"1,1-Cyclopropanedicarboxylic acid, 2-methyl-","10180-00-4","CC1C(C1)(C(=O)O)C(=O)O",null,"CC1C(C1)(C(=O)O)C(=O)O","CC1C(C1)(C(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3905,1409,"Butanedioic acid, 2,2-diphenyl-","10186-26-2","O=C(O)CC(C(=O)O)(c1ccccc1)c2ccccc2",null,"O=C(O)CC(C(=O)O)(c1ccccc1)c2ccccc2","O=C(O)CC(C(=O)O)(c1ccccc1)c2ccccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3906,2047,"2,2-DIBROMO-2-CYANOACETAMIDE","10222-01-2","N#CC(Br)(Br)C(N)=O","N#CC(Br)(Br)C(N)=O","N#CC(Br)(Br)C(N)=O","N#CC(Br)(Br)C(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3907,1830,"Glyburide","10238-21-8","COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3","COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3","COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3","COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3908,2017,"METHAMIDOPHOS","10265-92-6","COP(N)(=O)SC","COP(N)(=O)SC","COP(N)(=O)SC","COP(N)(=O)SC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3909,null,"propanoicacid,2-hydroxy-2-methyl-,2-phenyleth","10290-01-4",null,"CC(C)(O)C(=O)OCCc1ccccc1",null,"CC(C)(O)C(=O)OCCc1ccccc1",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3910,1175,"DIALIFOR","10311-84-9","CCOP(=S)(OCC)SC(CCl)N1C(c2c(C1=O)cccc2)=O","CCOP(=S)(OCC)SC(CCl)N1C(c2c(C1=O)cccc2)=O","CCOP(=S)(OCC)SC(CCl)N1C(c2c(C1=O)cccc2)=O","CCOP(=S)(OCC)SC(CCl)N1C(c2c(C1=O)cccc2)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3911,3789,"N-ISOBUTYLMORPHOLINE","10315-98-7","CC(C)CN1CCOCC1","CC(C)CN1CCOCC1","CC(C)CN1CCOCC1","CC(C)CN1CCOCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3912,356,"L-Tyrosine, N-acetyl-3,5-dibromo-","10346-50-6","CC(=O)NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O",null,"CC(O)=NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O","CC(O)=NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[3913,null,"s-Trithiane, 1,3-dioxide","10349-01-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3914,292,"6-Quinolinecarboxylic acid","10349-57-2","O=C(O)c1cc2c(cc1)nccc2","O=C(O)c1cc2c(cc1)nccc2","O=C(O)c1cc2c(cc1)nccc2","O=C(O)c1cc2c(cc1)nccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3915,641,"3-Pyridinecarboxamide, N-cyclohexyl-","10354-56-0","O=C(NC1CCCCC1)c2cnccc2","O=C(NC1CCCCC1)c2cnccc2","OC(=NC1CCCCC1)c2cnccc2","OC(=NC1CCCCC1)c2cnccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3916,null,"3-Hydroxycamphor","10373-81-6","CC12C(C(C(CC1)C2(C)C)O)=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3917,3033,"Benzenamine, 2-bromo-5-nitro-","10403-47-1","Nc1c(ccc(c1)[N+](=O)[O-])Br","Nc1c(ccc(c1)[N+](=O)[O-])Br","Nc1c(ccc(c1)[N+](=O)[O-])Br","Nc1c(ccc(c1)[N+](=O)[O-])Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3918,null,"Hexanedioic acid, 2,5-dihydroxy-2-methyl-5-(1-me","10408-17-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3919,507,"3-Octyloxy-propane-1,2-diol","10438-94-5","CCCCCCCCOCC(O)CO","CCCCCCCCOCC(O)CO","CCCCCCCCOCC(O)CO","CCCCCCCCOCC(O)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3920,1033,"MCPB-ETHYL","10443-70-6",null,"CCOC(=O)CCCOc1c(cc(cc1)Cl)C","CCOC(=O)CCCOc1c(cc(cc1)Cl)C","CCOC(=O)CCCOc1c(cc(cc1)Cl)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3921,1794,"RESMETHRIN","10453-86-8","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C",4,0,0,"NO","NO","Mantain","High Reliability","4463"]
[3922,1740,"Bromperidol","10457-90-6","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Br)c3ccc(cc3)F","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Br)c3ccc(cc3)F","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Br)c3ccc(cc3)F","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Br)c3ccc(cc3)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3923,3363,"Phenol, 2,3,4,6-tetrachloro-5-methyl-","10460-33-0","Cc1c(c(c(c(c1Cl)O)Cl)Cl)Cl",null,"Cc1c(c(c(c(c1Cl)O)Cl)Cl)Cl","Cc1c(c(c(c(c1Cl)O)Cl)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3924,2265,"Phosphoric acid, ethyl dimethyl ester","10463-05-5","CCOP(=O)(OC)OC","CCOP(=O)(OC)OC","CCOP(=O)(OC)OC","CCOP(=O)(OC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3925,2805,"3-Buten-2-ol, 2,3-dimethyl-","10473-13-9","C=C(C)C(C)(C)O","C=C(C)C(C)(C)O","C=C(C)C(C)(C)O","C=C(C)C(C)(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3926,4214,"TERBUFOS SULFOXIDE","10548-10-4","CCOP(=S)(OCC)SCS(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3927,1179,"Nitrothal-isopropyl","10552-74-6","CC(C)OC(=O)c1cc(cc(c1)C(=O)OC(C)C)[N+](=O)[O-]","CC(C)OC(=O)c1cc(cc(c1)C(=O)OC(C)C)[N+](=O)[O-]","CC(C)OC(=O)c1cc(cc(c1)C(=O)OC(C)C)[N+](=O)[O-]","CC(C)OC(=O)c1cc(cc(c1)C(=O)OC(C)C)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3928,null,"Sulfinylamide, N4-(6-deoxy-L-mannopyranosyl)-","10571-73-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3929,2181,"N-METHYL-N-NITROSOETHAMINE","10595-95-6",null,"CCN(C)N=O","CCN(C)N=O","CCN(C)N=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3930,2724,"Hexanebis(thioic) acid","10604-70-3","O=C(S)CCCCC(=O)S","O=C(S)CCCCC(=O)S","O=C(S)CCCCC(=O)S","O=C(S)CCCCC(=O)S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3931,null,"PLINOL","11039-70-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3932,792,"AROCLOR 1260","11096-82-5","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl",null,null,2,0,2,"NO","NO","Mantain","High Reliability","4673","Checked on ChemID, Checked on PubChem"]
[3933,823,"AROCLOR 1254","11097-69-1","Clc1c(c(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3934,null,"AROCLOR 1221","11104-28-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3935,null,"AROCLOR 1232","11141-16-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3936,2041,"Azadirachtin","11141-17-6",null,"CC=C(C)C(=O)OC1C23C4C(C(C1)OC(C)=O)(C(=O)OC)COC4C(C(C2C(OC3)(O)C(=O)OC)(C)C56C(O5)(C)C7C8(C(OC6C7)OC=C8)O)O","CC=C(C)C(=O)OC1C23C4C(C(C1)OC(C)=O)(C(=O)OC)COC4C(C(C2C(OC3)(O)C(=O)OC)(C)C56C(O5)(C)C7C8(C(OC6C7)OC=C8)O)O","CC=C(C)C(=O)OC1C23C4C(C(C1)OC(C)=O)(C(=O)OC)COC4C(C(C2C(OC3)(O)C(=O)OC)(C)C56C(O5)(C)C7C8(C(OC6C7)OC=C8)O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[3937,null,"ETHEPHON","11672-87-0","O=P(O)(O)CCCl",null,"O=P(O)(O)CCCl",null,2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[3938,2955,"TRICHLOROBENZENES","12002-48-1","Clc1c(c(ccc1)Cl)Cl","Clc1c(c(ccc1)Cl)Cl",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","591","Checked on PubChem"]
[3939,null,"Methylcyclopentadienyl Manganese","12108-13-3","C[Mn]C=1CC=CC1","CC1C=CC=C1",null,"CC1C=[C-]C=C1",0,3,1,"YES","NO","Eliminate","-",null,"Organometallic, Unusual elements, Missing/ambiguous"]
[3940,null,"DISPERSE BLUE 79","12239-34-8","CCOc1c(cc(c(c1)N=Nc2c(c(cc(c2)[N+](=O)[O-])[N+](=O)[O-])Br)NC(C)=O)N(CCOC(C)=O)CCOC(C)=O","CCOc1c(cc(c(c1)N=Nc2c(c(cc(c2)[N+](=O)[O-])[N+](=O)[O-])Br)NC(C)=O)N(CCOC(C)=O)CCOC(C)=O",null,"CCOc1c(cc(c(c1)N=Nc2c(cc(cc2Br)[N+](=O)[O-])[N+](=O)[O-])NC(C)=O)N(CCOC(C)=O)CCOC(C)=O",2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[3941,433,"Landrin","12407-86-2","CNC(=O)Oc1c(c(cc(c1)C)C)C","CNC(=O)Oc1c(c(cc(c1)C)C)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3942,855,"AROCLOR 1248","12672-29-6","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl",null,null,2,0,2,"NO","NO","Mantain","High Reliability","4561","Checked on ChemID, Checked on PubChem"]
[3943,864,"AROCLOR 1016","12674-11-2","Clc1cc(ccc1)-c2cc(cc(c2)Cl)Cl","Clc1cc(ccc1)-c2cc(cc(c2)Cl)Cl",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[3944,null,"Propagermanium","12758-40-6","O=C(O)CC[Ge](=O)O[Ge](=O)CCC(=O)O","O=C(O)CC[Ge](=O)O[Ge](=O)CCC(=O)O","O=C(O)CC[Ge](=O)O[Ge](=O)CCC(=O)O","O=C(O)CC[Ge](=O)O[Ge](=O)CCC(=O)O",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[3945,1317,"ANCYMIDOL","12771-68-5","COc1ccc(cc1)C(O)(c2cncnc2)C3CC3","COc1ccc(cc1)C(O)(c2cncnc2)C3CC3","COc1ccc(cc1)C(O)(c2cncnc2)C3CC3",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3946,4208,"O1,O3-Diisopropyl-glycerol","13021-54-0","CC(C)OCC(O)COC(C)C","CC(C)OCC(O)COC(C)C",null,"CC(C)OCC(O)COC(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3947,null,"3-(1,3-Dimethylbutoxy)propane-1,2-diol","13021-58-4","CC(C)CC(C)OCC(O)CO",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[3948,null,"Carbamic acid, 1,6-hexanediylbis-, bis(2-hydroxy","13027-07-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3949,910,"2,2'-DICHLOROBIPHENYL","13029-08-8","Clc1c(cccc1)-c2c(cccc2)Cl","Clc1c(cccc1)-c2c(cccc2)Cl","Clc1c(cccc1)-c2c(cccc2)Cl","Clc1c(cccc1)-c2c(cccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3950,1302,"CYANOFENPHOS","13067-93-1","CCOP(=S)(Oc1ccc(cc1)C#N)c2ccccc2","CCOP(=S)(Oc1ccc(cc1)C#N)c2ccccc2","CCOP(=S)(Oc1ccc(cc1)C#N)c2ccccc2","CCOP(=S)(Oc1ccc(cc1)C#N)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3951,4212,"TERBUFOS","13071-79-9","CCOP(=S)(OCC)SCSC(C)(C)C","CCOP(=S)(OCC)SCSC(C)(C)C","CCOP(=S)(OCC)SCSC(C)(C)C","CCOP(=S)(OCC)SCSC(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3952,660,"BENZOIC ACID, 4-AMINO-,PENTY ESTER","13110-37-7",null,"CCCCCOC(=O)c1ccc(cc1)N","CCCCCOC(=O)c1ccc(cc1)N","CCCCCOC(=O)c1ccc(cc1)N",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3953,4285,"Benzoic acid, 5-acetyl-2-hydroxy-","13110-96-8","CC(=O)c1cc(c(cc1)O)C(=O)O","CC(=O)c1cc(c(cc1)O)C(=O)O","CC(=O)c1cc(c(cc1)O)C(=O)O","CC(=O)c1cc(c(cc1)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3954,2066,"PROPANE, 1,2,2,3-TETRACHLORO-","13116-53-5","ClCC(Cl)(Cl)CCl","ClCC(Cl)(Cl)CCl","ClCC(Cl)(Cl)CCl","ClCC(Cl)(Cl)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3955,null,"Periplocin","13137-64-9","COC1C(C(OC(C1O)COC2C(OC(CC2O)O)C)OC3CC4(C(CC3)(C)C5C(C6(C(CC5)(C)C(C=7COC(C7)=O)CC6)O)CC4)O)O","COC1C(C(OC(C1O)COC2C(OC(CC2O)O)C)OC3CC4(C(CC3)(C)C5C(C6(C(CC5)(C)C(C=7COC(C7)=O)CC6)O)CC4)O)O",null,null,2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Stereochemistry removed"]
[3956,null,"1-Cyclohexene-1-carboxylic acid, 2-methyl-","13148-94-2","CC=1CCCCC1C(=O)O",null,"CC=1CCCCC1C(=O)O",null,2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[3957,642,"1,4-Benzenedicarboxamide, N,N,N',N'-tetramethyl-","13158-31-1","CN(C)C(=O)c1ccc(cc1)C(=O)N(C)C","CN(C)C(=O)c1ccc(cc1)C(=O)N(C)C","CN(C)C(=O)c1ccc(cc1)C(=O)N(C)C","CN(C)C(=O)c1ccc(cc1)C(=O)N(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3958,525,"3-Pyridinecarboxamide, N-2-pyridinyl-","13160-07-1","O=C(Nc1ncccc1)c2cnccc2","O=C(Nc1ncccc1)c2cnccc2","O=C(Nc1ncccc1)c2cnccc2","O=C(Nc1ncccc1)c2cnccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3959,200,"PHOSPHAMIDON","13171-21-6","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC",4,0,0,"NO","NO","Mantain","High Reliability","1686","Stereochemistry removed"]
[3960,1084,"BROMOFENOXIM","13181-17-4","O=C1C(=CC(C=C1Br)=CNOc2c(cc(cc2)[N+](=O)[O-])[N+](=O)[O-])Br","O=C1C(=CC(C=C1Br)=CNOc2c(cc(cc2)[N+](=O)[O-])[N+](=O)[O-])Br","O=[N+]([O-])c1cc(c(cc1)ON=Cc2cc(c(c(c2)Br)O)Br)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)ON=Cc2cc(c(c(c2)Br)O)Br)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3961,null,"2h-purin-2-one,1,3,6,7-tetrahydro-1,3,7-trimeth","13182-58-6",null,"Cn1c(n(c2c(c1=S)n(cn2)C)C)=O",null,"Cn1c(n(c2c(c1=S)n(cn2)C)C)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3962,3835,"O-ETHYL S,S-DIPROPYL PHOSPHORODITHIOATE","13194-48-4","CCCSP(=O)(OCC)SCCC","CCCSP(=O)(OCC)SCCC","CCCSP(=O)(OCC)SCCC","CCCSP(=O)(OCC)SCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3963,2601,"8H-Purin-8-one, 1,7-dihydro-","13230-97-2","O=c1[nH]c2-c(n1)nc[nH]c2","O=c1[nH]c2c([nH]1)cncn2",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[3964,2128,"N-NITROSOSARCOSINE","13256-22-9","CN(CC(=O)O)N=O","CN(CC(=O)O)N=O","CN(CC(=O)O)N=O","CN(CC(=O)O)N=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3965,596,"Imidodicarbonimidic diamide, N-1-naphthalenyl-","13261-53-5","N=C(N)NC(=N)Nc1c2c(ccc1)cccc2",null,null,"NC(N)=NC(N)=Nc1c2c(ccc1)cccc2",2,0,2,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed, Checked on PubChem"]
[3966,461,"Kitazine","13286-32-3","CCOP(=O)(OCC)SCc1ccccc1","CCOP(=O)(OCC)SCc1ccccc1",null,"CCOP(=O)(OCC)SCc1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3967,2213,"Rifampin","13292-46-1",null,null,"COC1C(C(C(C(C(C(C(C=CC=C(C(Nc2c(c3c(c(c4OC(OC=C1)(C(c4c3c(c2C=NN5CCN(CC5)C)O)=O)C)C)O)O)=O)C)C)O)C)O)C)OC(C)=O)C","COC1C(C(C(C(C(C(C(C=CC=C(C(Nc2c(c3c(c(c4OC(OC=C1)(C(c4c3c(c2C=NN5CCN(CC5)C)O)=O)C)C)O)O)=O)C)C)O)C)O)C)OC(C)=O)C",2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[3968,1817,"Procion blue MX-R","13324-20-4","Nc1c2c(c(cc1S(=O)(=O)O)Nc3cc(c(cc3)S(=O)(=O)O)Nc4nc(nc(n4)Cl)Cl)C(c5c(C2=O)cccc5)=O","Nc1c2c(c(cc1S(=O)(=O)O)Nc3cc(c(cc3)S(=O)(=O)O)Nc4nc(nc(n4)Cl)Cl)C(c5c(C2=O)cccc5)=O","Nc1c2c(c(cc1S(=O)(=O)O)Nc3cc(c(cc3)S(=O)(=O)O)Nc4nc(nc(n4)Cl)Cl)C(c5c(C2=O)cccc5)=O","Nc1c2c(c(cc1S(=O)(=O)O)Nc3cc(c(cc3)S(=O)(=O)O)Nc4nc(nc(n4)Cl)Cl)C(c5c(C2=O)cccc5)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3969,null,"benzeneaceticacid,.alpha.-[(carboxymethyl)thio","13330-93-3",null,"O=C(O)CSC(C(=O)O)c1ccccc1",null,"O=C(O)CSC(C(=O)O)c1ccccc1",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3970,4008,"CHLORBROMURON","13360-45-7","CON(C)C(=O)Nc1cc(c(cc1)Br)Cl","CON(C)C(=O)Nc1cc(c(cc1)Br)Cl","CON(C)C(=O)Nc1cc(c(cc1)Br)Cl","CON(C)C(=O)Nc1cc(c(cc1)Br)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3971,2908,"1-Butanamine, N-ethyl-","13360-63-9","CCCCNCC","CCCCNCC","CCCCNCC","CCCCNCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3972,3943,"2,4(1H,3H)-Pteridinedione, 1,3-dimethyl-","13401-18-8","Cn1c(n(c2c(c1=O)nccn2)C)=O","Cn1c(n(c2c(c1=O)nccn2)C)=O","Cn1c(n(c2c(c1=O)nccn2)C)=O","Cn1c(n(c2c(c1=O)nccn2)C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3973,42,"7-NITRO-2,2-DIMETHYL-2,3-DIHYDROBENZOFURAN","13414-55-6","CC1(Oc2c(C1)cccc2[N+](=O)[O-])C","CC1(Oc2c(C1)cccc2[N+](=O)[O-])C","CC1(Oc2c(C1)cccc2[N+](=O)[O-])C","CC1(Oc2c(C1)cccc2[N+](=O)[O-])C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3974,2489,"Furan, tetrahydro-3-methyl-","13423-15-9","CC1COCC1","CC1COCC1","CC1COCC1","CC1COCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3975,1312,"ETOFYLLINE NICOTINATE","13425-39-3","Cn1c(n(c2c(c1=O)n(cn2)CCOC(=O)c3cnccc3)C)=O","Cn1c(n(c2c(c1=O)n(cn2)CCOC(=O)c3cnccc3)C)=O","Cn1c(n(c2c(c1=O)n(cn2)CCOC(=O)c3cnccc3)C)=O","Cn1c(n(c2c(c1=O)n(cn2)CCOC(=O)c3cnccc3)C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3976,null,"benzoicacid,2-[[(aminocarbonyl)amino]carbonyl]","13435-16-0",null,"NC(=O)NC(=O)c1c(cccc1)C(=O)O",null,"NC(=O)NC(=O)c1c(cccc1)C(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3977,null,"L-Cysteine, N-acetyl-S-(3-chlorophenyl)-","13443-68-0","CC(=O)NC(CSc1cc(ccc1)Cl)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[3978,358,"L-Cysteine, N-acetyl-S-(3,4-dichlorophenyl)-","13443-69-1","CC(=O)NC(CSc1cc(c(cc1)Cl)Cl)C(=O)O","CC(=O)NC(CSc1cc(c(cc1)Cl)Cl)C(=O)O","CC(O)=NC(CSc1cc(c(cc1)Cl)Cl)C(=O)O","CC(O)=NC(CSc1cc(c(cc1)Cl)Cl)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3979,1203,"PYRAZOPHOS","13457-18-6","CCOC(=O)c1c(nc2n(c1)nc(OP(=S)(OCC)OCC)c2)C","CCOC(=O)c1c(nc2n(c1)nc(OP(=S)(OCC)OCC)c2)C","CCOC(=O)c1c(nc2n(c1)nc(OP(=S)(OCC)OCC)c2)C","CCOC(=O)c1c(nc2n(c1)nc(OP(=S)(OCC)OCC)c2)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3980,2593,"2(1H)-Pyridinone, 5-iodo-","13472-79-2","O=c1[nH]cc(cc1)I","O=c1[nH]cc(cc1)I","O=c1[nH]cc(cc1)I","O=c1[nH]cc(cc1)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3981,null,"BENZOIC ACID, 4-AMINO-, HEXYL ESTER","13476-55-6","CCCCCCOC(=O)c1ccc(cc1)N",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[3982,null,"2-Furanmethanol, formate","13493-97-5","OCc1occc1",null,"O=COCc1occc1","O=COCc1occc1",2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[3983,null,"guazatinefreebase","13516-27-3",null,"NC(N)=NCCCCCCCCNCCCCCCCCN=C(N)N",null,"N=C(N)NCCCCCCCCNCCCCCCCCNC(=N)N",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3984,204,"2-DIETHYLAMINO-4-ETHYLAMINO-6-METHOXY-S-TRIAZI*","13532-26-8","CCNc1nc(nc(n1)OC)N(CC)CC","CCNc1nc(nc(n1)OC)N(CC)CC",null,"CCNc1nc(nc(n1)OC)N(CC)CC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3985,1433,"Apazone","13539-59-8","CCCC1C(N2N(C1=O)C(N(C)C)=Nc3c2cc(cc3)C)=O","CCCC1C(N2N(C1=O)C(N(C)C)=Nc3c2cc(cc3)C)=O","CCCC1C(N2N(C1=O)C(N(C)C)=Nc3c2cc(cc3)C)=O","CCCC1C(N2N(C1=O)C(N(C)C)=Nc3c2cc(cc3)C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3986,null,"propanoicacid,2-hydroxy-,2-butoxy-1-methyl-2-","13544-80-4",null,"CCCCOC(=O)C(C)OC(=O)C(C)O",null,"CCCCOC(=O)C(C)OC(=O)C(C)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[3987,null,"DL-2,3-Dimethylsuccinic acid","13545-04-5",null,"CC(C(=O)O)C(C)C(=O)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[3988,2183,"Urea, N,N''-methylenebis-","13547-17-6","NC(=O)NCNC(N)=O","NC(=O)NCNC(N)=O","NC(=O)NCNC(N)=O","NC(=O)NCNC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3989,2257,"1-Amino-2-butanol","13552-21-1","CCC(O)CN","CCC(O)CN","CCC(O)CN","CCC(O)CN",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3990,1539,"dechloraneplus","13560-89-9","ClC1(C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)CCC4C5(C(=C(C(C4CC3)(C5(Cl)Cl)Cl)Cl)Cl)Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)CCC4C5(C(=C(C(C4CC3)(C5(Cl)Cl)Cl)Cl)Cl)Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)CCC4C5(C(=C(C(C4CC3)(C5(Cl)Cl)Cl)Cl)Cl)Cl)Cl",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[3991,625,"QUINALPHOS","13593-03-8","CCOP(=S)(OCC)Oc1nc2c(nc1)cccc2","CCOP(=S)(OCC)Oc1nc2c(nc1)cccc2","CCOP(=S)(OCC)Oc1nc2c(nc1)cccc2","CCOP(=S)(OCC)Oc1nc2c(nc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3992,null,"ISONICOTINIC ACID N-OXIDE","13602-12-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[3993,null,"Piperidine, 3-propyl-,","13603-14-0",null,"CCCC1CNCCC1",null,null,1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[3994,null,"2-PROPANOL, 1-CHLORO-, PHOSPHATE (3:1)","13674-84-5","O=P(O)(O)O","CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl","CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl","CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl",3,1,0,"NO","NO","Eliminate","-",null,"Inorganic"]
[3995,4131,"TRIS(1,3-DICHLOROISOPROPYL) PHOSPHATE","13674-87-8",null,"O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl","O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl","O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[3996,1417,"DESMEDIPHAM","13684-56-5","CCOC(=O)Nc1cc(ccc1)OC(=O)Nc2ccccc2","CCOC(=O)Nc1cc(ccc1)OC(=O)Nc2ccccc2","CCOC(=O)Nc1cc(ccc1)OC(=O)Nc2ccccc2","CCOC(=O)Nc1cc(ccc1)OC(=O)Nc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3997,1416,"PHENMEDIPHAM","13684-63-4","COC(=O)Nc1cc(ccc1)OC(=O)Nc2cc(ccc2)C","COC(=O)Nc1cc(ccc1)OC(=O)Nc2cc(ccc2)C","COC(=O)Nc1cc(ccc1)OC(=O)Nc2cc(ccc2)C","COC(=O)Nc1cc(ccc1)OC(=O)Nc2cc(ccc2)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[3998,1826,"Delmadinone acetate","13698-49-2","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)Cl)=CC(=O)C=C4)C)CC2)C)C(C)=O","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)Cl)=CC(=O)C=C4)C)CC2)C)C(C)=O","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)Cl)=CC(=O)C=C4)C)CC2)C)C(C)=O","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)Cl)=CC(=O)C=C4)C)CC2)C)C(C)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[3999,398,"Azidamfenicol","13838-08-9","[N-]=[N+]=NCC(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-]","[N-]=[N+]=NCC(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-]",null,"[N-]=[N+]=NCC(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[4000,2051,"ETHRANE [HALOETHER]","13838-16-9",null,"FC(F)OC(F)(F)C(F)Cl","FC(F)OC(F)(F)C(F)Cl","FC(F)OC(F)(F)C(F)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4001,2252,"SEC-BUTYLAMINE","13952-84-6","CCC(C)N","CCC(C)N","CCC(C)N","CCC(C)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4002,null,"…-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethyli","13964-22-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4003,2298,"4-bromo-trans-crotonic acid","13991-36-1","O=C(O)C=CCBr","O=C(O)C=CCBr","O=C(O)C=CCBr","O=C(O)C=CCBr",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4004,1296,"Metiazinic acid","13993-65-2","CN1c2c(Sc3c1cccc3)ccc(CC(=O)O)c2","CN1c2c(Sc3c1cccc3)ccc(CC(=O)O)c2","CN1c2c(Sc3c1cccc3)ccc(CC(=O)O)c2","CN1c2c(Sc3c1cccc3)ccc(CC(=O)O)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4005,null,"Benzenesulfonamide, .alpha.-hydroxy-, butyl este","14007-02-4",null,"CCCCOC(=O)C(O)c1ccccc1",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4006,646,"Barbituric acid, 5,5-di-2-butenyl-","14010-10-7","CC=CCC1(C(NC(NC1=O)=O)=O)CC=CC","CC=CCC1(C(NC(NC1=O)=O)=O)CC=CC",null,"CC=CCC1(C(NC(NC1=O)=O)=O)CC=CC",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[4007,null,"3-furancarboxylicacid,2-methyl-5-(1,2,3,4-tetr","14048-58-9",null,"Cc1c(cc(o1)C(O)C(O)C(O)CO)C(=O)O",null,"Cc1c(cc(o1)C(O)C(O)C(O)CO)C(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[4008,187,"(-)-Menthone","14073-97-3","CC1CC(C(CC1)C(C)C)=O","CC1CC(C(CC1)C(C)C)=O","CC1CC(C(CC1)C(C)C)=O","CC1CC(C(CC1)C(C)C)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4009,3987,"4-Pteridinamine, N,N-dimethyl-","14131-04-5","CN(C)c1c2c(ncn1)nccn2",null,"CN(C)c1c2c(ncn1)nccn2","CN(C)c1c2c(ncn1)nccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4010,2830,"Propanoic acid, 3-ethoxy-, methyl ester","14144-33-3","CCOCCC(=O)OC",null,"CCOCCC(=O)OC","CCOCCC(=O)OC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4011,4183,"Propanoic acid, 3-ethoxy-, butyl ester","14144-35-5","CCCCOC(=O)CCOCC","CCCCOC(=O)CCOCC","CCCCOC(=O)CCOCC","CCCCOC(=O)CCOCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4012,229,"Propionic acid, 3-ethoxy-, pentyl ester","14144-36-6","CCCCCOC(=O)CCOCC","CCCCCOC(=O)CCOCC",null,"CCCCCOC(=O)CCOCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4013,499,"Propionic acid, 3-ethoxy-, hexyl ester","14144-37-7","CCCCCCOC(=O)CCOCC",null,"CCCCCCOC(=O)CCOCC","CCCCCCOC(=O)CCOCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4014,3277,"Propionic acid, 3-propoxy-, methyl ester","14144-39-9","CCCOCCC(=O)OC",null,"CCCOCCC(=O)OC","CCCOCCC(=O)OC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4015,4184,"Propanoic acid, 3-propoxy-, propyl ester","14144-41-3","CCCOCCC(=O)OCCC","CCCOCCC(=O)OCCC","CCCOCCC(=O)OCCC","CCCOCCC(=O)OCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4016,500,"Propanoic acid, 3-butoxy-, butyl ester","14144-48-0","CCCCOCCC(=O)OCCCC","CCCCOCCC(=O)OCCCC","CCCCOCCC(=O)OCCCC","CCCCOCCC(=O)OCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4017,2965,"Pteridine, 2-chloro-","14159-38-7","Clc1nc2c(cn1)nccn2",null,"Clc1nc2c(cn1)nccn2","Clc1nc2c(cn1)nccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4018,1706,"[3,3]DB18C6-DIBENZO CROWN ETHER","14187-32-7",null,"c1cc2c(cc1)OCCOCCOc3c(OCCOCCO2)cccc3","c1cc2c(cc1)OCCOCCOc3c(OCCOCCO2)cccc3","c1cc2c(cc1)OCCOCCOc3c(OCCOCCO2)cccc3",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4019,4202,"2,2-DIETHYL-1-PENTANOL","14202-62-1","CCCC(CC)(CC)CO","CCCC(CC)(CC)CO","CCCC(CC)(CC)CO","CCCC(CC)(CC)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4020,1423,"DIFENOXURON","14214-32-5","COc1ccc(cc1)Oc2ccc(cc2)NC(=O)N(C)C","COc1ccc(cc1)Oc2ccc(cc2)NC(=O)N(C)C","COc1ccc(cc1)Oc2ccc(cc2)NC(=O)N(C)C","COc1ccc(cc1)Oc2ccc(cc2)NC(=O)N(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4021,463,"FENSULFOTHION SULFONE","14255-72-2","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)(=O)=O","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)(=O)=O","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)(=O)=O","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)(=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4022,1380,"Fenazaflor","14255-88-0","O=C(Oc1ccccc1)n2c3c(nc2C(F)(F)F)cc(Cl)c(Cl)c3","O=C(Oc1ccccc1)n2c3c(nc2C(F)(F)F)cc(Cl)c(Cl)c3","O=C(Oc1ccccc1)n2c3c(nc2C(F)(F)F)cc(Cl)c(Cl)c3","O=C(Oc1ccccc1)n2c3c(nc2C(F)(F)F)cc(Cl)c(Cl)c3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4023,1308,"Xipamide","14293-44-8","Cc1c(c(ccc1)C)NC(=O)c2c(cc(c(c2)S(N)(=O)=O)Cl)O","Cc1c(c(ccc1)C)NC(=O)c2c(cc(c(c2)S(N)(=O)=O)Cl)O","Cc1c(c(ccc1)C)NC(=O)c2c(cc(c(c2)S(N)(=O)=O)Cl)O","Cc1c(c(ccc1)C)NC(=O)c2c(cc(c(c2)S(N)(=O)=O)Cl)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4024,3248,"Glycine, N-DL-valyl-","14297-28-0","CC(C)C(N)C(=O)NCC(=O)O",null,"CC(C)C(N)C(O)=NCC(=O)O","CC(C)C(N)C(O)=NCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[4025,null,"Hexanamide, N-(aminocarbonyl)-2-bromo-","14299-56-0","CCCCC(Br)C(=O)NC(N)=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4026,null,"2,4,6(1h,3h,5h)-pyrimidinetrione,1,3-dimethyl-5","14305-99-8",null,"CN1C(N(C(C(C1=O)[N+](=O)[O-])=O)C)=O",null,"CN1C(N(C(C(C1=O)[N+](=O)[O-])=O)C)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4027,1209,"BENZOIC ACID, 4-AMINO-, HEPTYL ESTER","14309-40-1","CCCCCCCOC(=O)c1ccc(cc1)N","CCCCCCCOC(=O)c1ccc(cc1)N","CCCCCCCOC(=O)c1ccc(cc1)N","CCCCCCCOC(=O)c1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4028,1365,"BENZOIC ACID, 4-AMINO-, OCTYL ESTER","14309-41-2","CCCCCCCCOC(=O)c1ccc(cc1)N","CCCCCCCCOC(=O)c1ccc(cc1)N","CCCCCCCCOC(=O)c1ccc(cc1)N","CCCCCCCCOC(=O)c1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4029,643,"1,3-Benzenedicarboxamide, N,N,N',N'-tetramethyl-","14334-36-2","CN(C)C(=O)c1cc(ccc1)C(=O)N(C)C",null,"CN(C)C(=O)c1cc(ccc1)C(=O)N(C)C","CN(C)C(=O)c1cc(ccc1)C(=O)N(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4030,null,"Oxalic acid-2-ethylester-1-chloride-1-oxime","14337-43-0",null,"CCOC(=O)C(Cl)=NO",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[4031,null,"Butanoic acid, 4,4'-diselenobis-","14362-48-2","O=C(O)CCC[Se][Se]CCCC(=O)O",null,"O=C(O)CCC[Se][Se]CCCC(=O)O","O=C(O)CCC[Se][Se]CCCC(=O)O",3,0,1,"NO","NO","Eliminate","-",null,"Unusual elements"]
[4032,4261,"2H-1-Benzopyran-2-one, 6-amino-","14415-44-2","Nc1cc2c(cc1)oc(=O)cc2","Nc1cc2c(cc1)oc(=O)cc2","Nc1cc2c(cc1)oc(=O)cc2","Nc1cc2c(cc1)oc(=O)cc2",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[4033,25,"ETHYL 4-CHLOROPHENOXYACETATE","14426-42-7","CCOC(=O)COc1ccc(cc1)Cl","CCOC(=O)COc1ccc(cc1)Cl",null,"CCOC(=O)COc1ccc(cc1)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4034,5,"CHLORFENPROP METHYL","14437-17-3","COC(=O)C(Cl)Cc1ccc(cc1)Cl","COC(=O)C(Cl)Cc1ccc(cc1)Cl",null,"COC(=O)C(Cl)Cc1ccc(cc1)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4035,3494,"Phenol, 4-bromo-3-methyl-","14472-14-1","Cc1c(ccc(c1)O)Br","Cc1c(ccc(c1)O)Br","Cc1c(ccc(c1)O)Br","Cc1c(ccc(c1)O)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4036,null,"1,6-anthracenedisulfonicacid,9,10-dihydro-9,10","14486-58-9",null,"O=C1c2c(C(c3c1cc(S(=O)(=O)O)cc3)=O)c(ccc2)S(=O)(=O)O",null,"O=C1c2c(C(c3c1cc(S(=O)(=O)O)cc3)=O)c(ccc2)S(=O)(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4037,349,"3-(2-Methylphenoxy)pyridazine","14491-59-9","Cc1c(cccc1)Oc2nnccc2","Cc1c(cccc1)Oc2nnccc2","Cc1c(cccc1)Oc2nnccc2","Cc1c(cccc1)Oc2nnccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4038,4307,"1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-","14500-23-3","Cn1c(n([nH]c1=O)-c2ccccc2)=O","Cn1c(n([nH]c1=O)-c2ccccc2)=O","Cn1c(n([nH]c1=O)-c2ccccc2)=O","Cn1c(n([nH]c1=O)-c2ccccc2)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4039,39,"Benzamide, 2-(2-propenyloxy)-","14520-53-7","C=CCOc1c(cccc1)C(N)=O","C=CCOc1c(cccc1)C(N)=O",null,"C=CCOc1c(cccc1)C(N)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4040,3241,"2-HEPTENE (TRANS)","14686-13-6","CC=CCCCC","CC=CCCCC","CC=CCCCC","CC=CCCCC",4,0,0,"NO","NO","Mantain","High Reliability","2315, 2316","Stereochemistry removed"]
[4041,993,"OXOLINIC ACID","14698-29-4","CCn1c2c(c(c(c1)C(=O)O)=O)cc3OCOc3c2","CCn1c2c(c(c(c1)C(=O)O)=O)cc3OCOc3c2","CCn1c2c(c(c(c1)C(=O)O)=O)cc3OCOc3c2","CCn1c2c(c(c(c1)C(=O)O)=O)cc3OCOc3c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4042,null,"Malonic acid, (o-carboxybenzyl)-, 1,3-diethyl es","14746-25-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4043,3199,"2,5-Piperazinedione, 3-(1-methylethyl)-","14771-77-8","CC(C)C1C(NCC(N1)=O)=O","CC(C)C1C(NCC(N1)=O)=O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4044,626,"PHOXIM","14816-18-3","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4045,605,"Chlorphoxim","14816-20-7","CCOP(=S)(OCC)ON=C(C#N)c1c(cccc1)Cl","CCOP(=S)(OCC)ON=C(C#N)c1c(cccc1)Cl","CCOP(=S)(OCC)ON=C(C#N)c1c(cccc1)Cl","CCOP(=S)(OCC)ON=C(C#N)c1c(cccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4046,null,"1-Butanone, 4-(4-hydroxy-4-phenyl-1-piperidinyl)","14862-80-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4047,1062,"beta-Ionone","14901-07-6","CC(=O)C=CC=1C(CCCC1C)(C)C","CC(=O)C=CC=1C(CCCC1C)(C)C","CC(=O)C=CC=1C(CCCC1C)(C)C","CC(=O)C=CC=1C(CCCC1C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability","1474","Stereochemistry removed"]
[4048,3809,"3-HEPTANOL, 4-METHYL- (VAN8CI9CI)","14979-39-6",null,"CCCC(C)C(O)CC","CCCC(C)C(O)CC","CCCC(C)C(O)CC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4049,3694,"Piperidine, 1-(cyanoacetyl)-","15029-30-8","N#CCC(=O)N1CCCCC1","N#CCC(=O)N1CCCCC1","N#CCC(=O)N1CCCCC1","N#CCC(=O)N1CCCCC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4050,null,"1,6-DIOXASPIRO[4,4]NONANE, 2,2,7,7-TETRAMETHYL-","15031-07-9","CC1(OC2(CC1)OC(CC2)(C)C)C",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4051,551,"Phenol, 2,2'-sulfonylbis-","15038-67-2","O=S(=O)(c1c(cccc1)O)c2c(cccc2)O","O=S(=O)(c1c(cccc1)O)c2c(cccc2)O","O=S(=O)(c1c(cccc1)O)c2c(cccc2)O","O=S(=O)(c1c(cccc1)O)c2c(cccc2)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4052,610,"DL-Phenylalanine, N-(2-cyanoethyl)-","15095-74-6","N#CCCNC(Cc1ccccc1)C(=O)O","N#CCCNC(Cc1ccccc1)C(=O)O",null,"N#CCCNC(Cc1ccccc1)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[4053,2055,"1,1,2,3,3-PENTACHLOROPROPANE","15104-61-7","ClC(Cl)C(Cl)C(Cl)Cl","ClC(Cl)C(Cl)C(Cl)Cl","ClC(Cl)C(Cl)C(Cl)Cl","ClC(Cl)C(Cl)C(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4054,4297,"L-Tyrosine, 3,5-dichloro-","15106-62-4","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4055,603,"Glutaric acid, 3-hydroxy-3-(phenylcarbamoyl)-","15119-64-9","O=C(O)CC(O)(CC(=O)O)C(=O)Nc1ccccc1",null,"O=C(O)CC(O)(CC(=O)O)C(O)=Nc1ccccc1","O=C(O)CC(O)(CC(=O)O)C(O)=Nc1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4056,3914,"Benzoic acid, 4-hydroxy-3-iodo-, methyl ester","15126-06-4","COC(=O)c1cc(c(cc1)O)I",null,"COC(=O)c1cc(c(cc1)O)I","COC(=O)c1cc(c(cc1)O)I",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4057,4305,"Benzoic acid, 4-hydroxy-3-iodo-, ethyl ester","15126-07-5","CCOC(=O)c1cc(c(cc1)O)I",null,"CCOC(=O)c1cc(c(cc1)O)I","CCOC(=O)c1cc(c(cc1)O)I",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4058,null,"Benzoic acid, 4-hydroxy-3-iodo-, propyl ester","15126-08-6","CCCOC(=O)c1cc(c(cc1)O)I",null,"CCCOC(=O)c1cc(c(cc1)O)I",null,2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[4059,393,"Benzoic acid, 4-hydroxy-3-iodo-, butyl ester","15126-09-7","CCCCOC(=O)c1cc(c(cc1)O)I",null,"CCCCOC(=O)c1cc(c(cc1)O)I","CCCCOC(=O)c1cc(c(cc1)O)I",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4060,4267,"Propanoic acid, 2-(2,4-dichlorophenoxy)-, (R)-","15165-67-0","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","1356","Stereochemistry removed"]
[4061,3441,"BENZENEMETHANOL, 2,6-DICHLORO-","15258-73-8","OCc1c(cccc1Cl)Cl","OCc1c(cccc1Cl)Cl","OCc1c(cccc1Cl)Cl","OCc1c(cccc1Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4062,52,"Tranid","15271-41-7","CNC(=O)ON=C1C2C(CC(C1Cl)C2)C#N","CNC(=O)ON=C1C2C(CC(C1Cl)C2)C#N","CNC(=O)ON=C1C2C(CC(C1Cl)C2)C#N","CNC(=O)ON=C1C2C(CC(C1Cl)C2)C#N",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4063,1507,"N,N-DIETHYL-2-(1-NAPHTHALENYLOXY)PROPANAMIDE","15299-99-7","CCN(CC)C(=O)C(C)Oc1c2c(ccc1)cccc2","CCN(CC)C(=O)C(C)Oc1c2c(ccc1)cccc2","CCN(CC)C(=O)C(C)Oc1c2c(ccc1)cccc2","CCN(CC)C(=O)C(C)Oc1c2c(ccc1)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4064,1841,"Flavoxate","15301-69-6","Cc1c(c2c(oc1-c3ccccc3)c(C(=O)OCCN4CCCCC4)ccc2)=O","Cc1c(c2c(oc1-c3ccccc3)c(C(=O)OCCN4CCCCC4)ccc2)=O","Cc1c(c2c(oc1-c3ccccc3)c(C(=O)OCCN4CCCCC4)ccc2)=O","Cc1c(c2c(oc1-c3ccccc3)c(C(=O)OCCN4CCCCC4)ccc2)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4065,1111,"DICLOFENAC","15307-86-5","O=C(O)Cc1c(cccc1)Nc2c(cccc2Cl)Cl","O=C(O)Cc1c(cccc1)Nc2c(cccc2Cl)Cl","O=C(O)Cc1c(cccc1)Nc2c(cccc2Cl)Cl","O=C(O)Cc1c(cccc1)Nc2c(cccc2Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4066,null,"benzamide,2-iodo-n-phenyl","15310-01-7",null,"O=C(Nc1ccccc1)c2c(cccc2)I",null,"O=C(Nc1ccccc1)c2c(cccc2)I",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4067,null,"Propanamide, N-(chloroacetyl)-","15322-68-6","CCC(=O)NC(=O)CCl",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4068,null,"1,3-Benzodioxole-5-methanol, 6-nitro-","15341-08-9","O=[N+]([O-])c1c(cc2c(c1)OCO2)CO","O=[N+]([O-])c1c(c2c(cc1)OCO2)CO",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4069,null,"D-glycero-D-ido-heptonic acid, .gamma.-lactone","15397-07-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4070,null,"3,5-pyridinedicarboxylicacid,2,6-dimethyl-,di","15420-54-9",null,"Cc1c(cc(c(n1)C)C(=O)NN)C(=O)NN",null,"Cc1c(cc(c(n1)C)C(=O)NN)C(=O)NN",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4071,null,"Methyl (4-chlorophenyl)sulfonyl acetate","15446-25-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4072,1085,"FLUORODIFEN","15457-05-3","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)C(F)(F)F)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)C(F)(F)F)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)C(F)(F)F)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)C(F)(F)F)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4073,87,"CHLORTOLURON","15545-48-9","Cc1c(cc(cc1)NC(=O)N(C)C)Cl","Cc1c(cc(cc1)NC(=O)N(C)C)Cl","Cc1c(cc(cc1)NC(=O)N(C)C)Cl","Cc1c(cc(cc1)NC(=O)N(C)C)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4074,2182,"Noxythiolin","15599-39-0","CNS#CNCO","CNS#CNCO",null,"CNS#CNCO",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4075,2652,"Propanenitrile, 2-(acetyloxy)-","15657-96-2","CC(=O)OC(C)C#N","CC(=O)OC(C)C#N","CC(=O)OC(C)C#N","CC(=O)OC(C)C#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4076,null,"CIS-PLATIN","15663-27-1","[Pt+2]",null,"N[Pt](N)(Cl)Cl","N[Pt](N)(Cl)Cl",2,1,1,"NO","YES","Eliminate","-",null,"Unusual elements, Inorganic, Missing/ambiguous"]
[4077,1046,"IBUPROFEN","15687-27-1","CC(C)Cc1ccc(cc1)C(C)C(=O)O","CC(C)Cc1ccc(cc1)C(C)C(=O)O","CC(C)Cc1ccc(cc1)C(C)C(=O)O","CC(C)Cc1ccc(cc1)C(C)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4078,null,"quinoxaline-1,4-dihydro-2,3-dione","15804-19-0",null,"O=c1c([nH]c2c([nH]1)cccc2)=O",null,"Oc1c(nc2c(n1)cccc2)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4079,868,"2,4,5-TRICHLOROBIPHENYL","15862-07-4","Clc1c(cc(c(c1)Cl)-c2ccccc2)Cl","Clc1c(cc(c(c1)Cl)-c2ccccc2)Cl","Clc1c(cc(c(c1)Cl)-c2ccccc2)Cl","Clc1c(cc(c(c1)Cl)-c2ccccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4080,235,"4,4-Dimethyloctane","15869-95-1","CCCCC(C)(C)CCC","CCCCC(C)(C)CCC","CCCCC(C)(C)CCC","CCCCC(C)(C)CCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4081,3667,"CHLORALOSE","15879-93-3","OCC(O)C1C(C2C(O1)OC(C(Cl)(Cl)Cl)O2)O","OCC(O)C1C(C2C(O1)OC(C(Cl)(Cl)Cl)O2)O","OCC(O)C1C(C2C(O1)OC(C(Cl)(Cl)Cl)O2)O","OCC(O)C1C(C2C(O1)OC(C(Cl)(Cl)Cl)O2)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4082,2225,"2-Butanol, (.+-.)-","15892-23-6",null,"CCC(C)O","CCC(C)O","CCC(C)O",3,0,1,"NO","NO","Mantain","Medium Reliability","455"]
[4083,null,"Galactaric acid, diethyl ester","15909-67-8","CCOC(=O)C(O)C(O)C(O)C(O)C(=O)OCC",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[4084,837,"2,2',6,6'-TETRACHLOROBIPHENYL","15968-05-5","Clc1c(c(ccc1)Cl)-c2c(cccc2Cl)Cl","Clc1c(c(ccc1)Cl)-c2c(cccc2Cl)Cl","Clc1c(c(ccc1)Cl)-c2c(cccc2Cl)Cl","Clc1c(c(ccc1)Cl)-c2c(cccc2Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4085,1199,"ALACHLOR","15972-60-8","CCc1c(c(ccc1)CC)N(COC)C(=O)CCl","CCc1c(c(ccc1)CC)N(COC)C(=O)CCl","CCc1c(c(ccc1)CC)N(COC)C(=O)CCl","CCc1c(c(ccc1)CC)N(COC)C(=O)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4086,null,"2,5-Piperazinedione, 3,6-bis(hydroxymethyl)-, ci","15996-17-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4087,2350,"Acetic acid, 2,2'-tetrathiobis-","16002-32-7","O=C(O)CSSSSCC(=O)O","O=C(O)CSSSSCC(=O)O",null,"O=C(O)CSSSSCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4088,3295,"ethanol,2-butoxy-,carbamate","16006-08-9","CCCCOCCO","CCCCOCCOC(N)=O","CCCCOCCOC(N)=O","CCCCOCCOC(N)=O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[4089,3346,"pentachlorobenzylalcohol","16022-69-8","OC(Cl)(Cl)c1c(c(c(cc1)Cl)Cl)Cl","OCc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",null,"OCc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",2,1,1,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[4090,589,"Iocetamic acid","16034-77-8","CC(=O)N(CC(C)C(=O)O)c1c(c(c(cc1I)I)N)I","CC(=O)N(CC(C)C(=O)O)c1c(c(c(cc1I)I)N)I","CC(=O)N(CC(C)C(=O)O)c1c(c(c(cc1I)I)N)I","CC(=O)N(CC(C)C(=O)O)c1c(c(c(cc1I)I)N)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4091,null,"Zinc Lactate","16039-53-5","CC(O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Organic counterion, Checked on PubChem"]
[4092,2304,"CHLOROSUCCINIC ACID","16045-92-4","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","3451, 3470"]
[4093,645,"Carbetamide","16118-49-3","CCNC(=O)C(C)OC(=O)Nc1ccccc1","CCNC(=O)C(C)OC(=O)Nc1ccccc1","CCNC(=O)C(C)OC(=O)Nc1ccccc1","CCNC(=O)C(C)OC(=O)Nc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4094,251,"Phosphonic acid, hexyl-, diethyl ester","16165-66-5","CCCCCCP(=O)(OCC)OCC","CCCCCCP(=O)(OCC)OCC",null,"CCCCCCP(=O)(OCC)OCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4095,999,"2-Naphthol, 3-(2-imidazolin-2-yl)-","16173-26-5","Oc1c(cc2c(c1)cccc2)C=3NCCN3",null,"Oc1c(cc2c(c1)cccc2)C=3NCCN3","Oc1c(cc2c(c1)cccc2)C=3NCCN3",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4096,3514,"Phenol, 2-iodo-4-methyl-","16188-57-1","Cc1cc(c(cc1)O)I",null,"Cc1cc(c(cc1)O)I","Cc1cc(c(cc1)O)I",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4097,355,"2-Propenoic acid, 3-[2-(acetyloxy)phenyl]-, (E)-","16189-10-9","CC(=O)Oc1c(cccc1)C=CC(=O)O",null,"CC(=O)Oc1c(cccc1)C=CC(=O)O","CC(=O)Oc1c(cccc1)C=CC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[4098,4079,"ETHYLIDENE NORBORNENE","16219-75-3","CC=C1C2C=CC(C1)C2","CC=C1C2C=CC(C1)C2","CC=C1C2C=CC(C1)C2","CC=C1C2C=CC(C1)C2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4099,null,"3-Pyridinecarbonitrile, 1,2,5,6-tetrahydro-4,6,6","16268-25-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4100,4298,"Benzoic acid, 3-chloro-4-hydroxy-, ethyl ester","16357-41-8","CCOC(=O)c1cc(c(cc1)O)Cl",null,"CCOC(=O)c1cc(c(cc1)O)Cl","CCOC(=O)c1cc(c(cc1)O)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4101,475,"L-Glutamic acid, N-L-leucyl-","16364-31-1","CC(C)CC(N)C(=O)NC(CCC(=O)O)C(=O)O",null,"CC(C)CC(N)C(O)=NC(CCC(=O)O)C(=O)O","CC(C)CC(N)C(O)=NC(CCC(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[4102,2475,"Butanamide, N-methyl-N-nitroso-","16395-81-6","CCCC(=O)N(C)N=O","CCCC(=O)N(C)N=O",null,"CCCC(=O)N(C)N=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4103,26,"Mecoprop-P","16484-77-8","Cc1c(ccc(c1)Cl)OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","707, 3814","Stereochemistry removed"]
[4104,2068,"2-Propenamide, 2-chloro-","16490-68-9","C=C(Cl)C(N)=O","C=C(Cl)C(N)=O","C=C(Cl)C(N)=O","C=C(Cl)C(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4105,2668,"CYCLOPROPYL VINYL ETHER","16545-67-8","C=COC1CC1","C=COC1CC1","C=COC1CC1","C=COC1CC1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4106,912,"2,3-DICHLOROBIPHENYL","16605-91-7","Clc1c(c(ccc1)-c2ccccc2)Cl","Clc1c(c(ccc1)-c2ccccc2)Cl","Clc1c(c(ccc1)-c2ccccc2)Cl","Clc1c(c(ccc1)-c2ccccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability","4402"]
[4107,874,"2,4',5-TRICHLOROBIPHENYL","16606-02-3","Clc1ccc(cc1)-c2c(ccc(c2)Cl)Cl","Clc1ccc(cc1)-c2c(ccc(c2)Cl)Cl","Clc1ccc(cc1)-c2c(ccc(c2)Cl)Cl","Clc1ccc(cc1)-c2c(ccc(c2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4108,null,"Succinic acid, 2-allyl-3-methyl-, erythro-","16631-06-4",null,null,"C=CCC(C(=O)O)C(C)C(=O)O","C=CCC(C(=O)O)C(C)C(=O)O",2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[4109,1991,"ETHEPHON","16672-87-0","O=P(O)(O)CCCl","O=P(O)(O)CCCl","O=P(O)(O)CCCl","O=P(O)(O)CCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4110,469,"Hydantoin, 5-methyl-5-(2-piperidinoethyl)-","16705-27-4","CC1(C(NC(N1)=O)=O)CCN2CCCCC2",null,"CC1(C(=NC(=N1)O)O)CCN2CCCCC2","CC1(C(=NC(=N1)O)O)CCN2CCCCC2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4111,null,"…-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethyli","16713-80-7",null,"CC(=O)OC1C2C(OC1C3OC(OC3)(C)C)OC(C)(C)O2",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[4112,null,"6,7-Secomorphinan-6-oic acid, 8,14-didehydro-4,5","16718-61-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4113,2310,"2-Thiazolecarboxylic acid, hydrazide","16733-90-7","NNC(=O)c1sccn1",null,"NNC(=O)c1sccn1","NNC(=O)c1sccn1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4114,2477,"METHOMYL","16752-77-5","CNC(=O)ON=C(C)SC","CNC(=O)ON=C(C)SC","CNC(=O)ON=C(C)SC",null,3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[4115,3907,"3,4,5-Trichloroveratrole","16766-29-3","COc1c(c(c(c(c1)Cl)Cl)Cl)OC","COc1c(c(c(c(c1)Cl)Cl)Cl)OC","COc1c(c(c(c(c1)Cl)Cl)Cl)OC","COc1c(c(c(c(c1)Cl)Cl)Cl)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4116,3513,"4-chloroguaiacol","16766-30-6","COc1c(cc(cc1)Cl)O","COc1c(ccc(c1)Cl)O",null,"COc1c(ccc(c1)Cl)O",2,1,1,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[4117,null,"N1-(5-BR-2-PYRIDYL)SULFANILAMIDE","16805-99-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4118,null,"Sulfanilamide, N1-(4-amino-2-pyrimidinyl)-","16806-00-1","Nc1ccc(cc1)S(=O)(=O)Nc2nc(ccn2)N",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4119,null,"benzenesulfonamide,4-amino-n-1,3,4-thiadiazol-2","16806-29-4",null,"Nc1ccc(cc1)S(=O)(=O)Nc2scnn2",null,"Nc1ccc(cc1)S(=O)(=O)Nc2scnn2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4120,null,"2-Furanacetic acid, tetrahydro-2-methyl-5-oxo-,","16807-50-4",null,"CCOC(=O)CC1(OC(CC1)=O)C",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4121,621,"Succinic acid, 2-ethyl-3-phenyl-","16827-45-5","CCC(C(=O)O)C(C(=O)O)c1ccccc1",null,"CCC(C(=O)O)C(C(=O)O)c1ccccc1","CCC(C(=O)O)C(C(=O)O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4122,null,"Benzenesulfonamide, 4-amino-N-(5-amino-2-pyridin","16840-28-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4123,1087,"Benzamide, 2,4-dichloro-N-hydroxy-N-phenyl-","16845-41-3","O=C(c1c(cc(cc1)Cl)Cl)N(O)c2ccccc2",null,"O=C(c1c(cc(cc1)Cl)Cl)N(O)c2ccccc2","O=C(c1c(cc(cc1)Cl)Cl)N(O)c2ccccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4124,null,"Benzoic acid, 2-[acetyl(carboxymethyl)amino]-","16851-69-7","CC(=O)N(CC(=O)O)c1c(cccc1)C(=O)O","COC(=O)N(C(C)=O)c1c(cccc1)C(=O)O",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4125,3471,"Pteridine, 2-(methylthio)-","16878-77-6","CSc1nc2c(cn1)nccn2",null,"CSc1nc2c(cn1)nccn2","CSc1nc2c(cn1)nccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4126,3581,"Barbituric acid, 5-bromo-5-isopropyl-","16952-71-9","CC(C)C1(C(NC(NC1=O)=O)=O)Br","CC(C)C1(C(NC(NC1=O)=O)=O)Br",null,"CC(C)C1(C(NC(NC1=O)=O)=O)Br",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4127,3135,"1,4-BENZENEDISULFONAMIDE","16993-45-6","NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O",null,"NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O","NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4128,679,"barbituricacid,5,5-dibutyl-","17013-41-1",null,"CCCCC1(C(NC(NC1=O)=O)=O)CCCC",null,"CCCCC1(C(NC(NC1=O)=O)=O)CCCC",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[4129,null,"2,4,6(1h,3h,5h)-pyrimidinetrione,5-(3-methylbut","17013-42-2",null,"CCCC1(C(NC(NC1=O)=O)=O)CCC(C)C",null,"CCCC1(C(NC(NC1=O)=O)=O)CCC(C)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4130,3883,"8-cinnolinol","17056-95-0","Oc1c2c(ccc1)ccnn2",null,"Oc1c2c(ccc1)ccnn2","Oc1c2c(ccc1)ccnn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4131,4270,"8-Cinnolinol, 4-methyl-","17056-96-1","Cc1c2c(nnc1)c(O)ccc2",null,"Cc1c2c(nnc1)c(O)ccc2","Cc1c2c(nnc1)c(O)ccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4132,3885,"5-Quinoxalinol","17056-99-4","Oc1c2c(ccc1)nccn2",null,null,"O=c1c2-c(ccc1)[nH]ccn2",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[4133,3886,"1,6-Naphthyridin-8-ol","17057-00-0","Oc1c2c(cnc1)cccn2",null,"Oc1c2c(cnc1)cccn2","Oc1c2c(cnc1)cccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4134,null,"Hydrazinecarbothioamide, 2-(4-nitrophenyl)-N-2-p","17073-27-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4135,null,"Benzenesulfonamide, 4-amino-N-(6-bromo-3-pyridin","17103-43-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4136,null,"Benzenesulfonamide, 4-amino-N-(6-amino-3-pyridin","17103-45-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4137,4021,"Benzenesulfonamide, 4-amino-N-1H-imidazol-2-yl-","17103-46-7","Nc1ccc(cc1)S(=O)(=O)Nc2[nH]ccn2",null,"Nc1ccc(cc1)S(=O)(=O)Nc2[nH]ccn2","Nc1ccc(cc1)S(=O)(=O)Nc2[nH]ccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4138,null,"Benzenesulfonamide, 4-amino-N-5-pyrimidinyl-","17103-48-9","Nc1ccc(cc1)S(=O)(=O)Nc2cncnc2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4139,null,"Benzenesulfonamide, 4-amino-N-(2-chloro-5-pyrimi","17103-49-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4140,4310,"Benzenesulfonamide, 4-amino-N-2-oxazolyl-","17103-51-4","Nc1ccc(cc1)S(=O)(=O)Nc2occn2",null,"Nc1ccc(cc1)S(=O)(=O)Nc2occn2","Nc1ccc(cc1)S(=O)(=O)Nc2occn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4141,null,"Benzenesulfonamide, 4-amino-N-(3-methyl-5-isoxaz","17103-52-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4142,null,"Benzenesulfonamide, 4-amino-N-(methylfurazanyl)-","17103-53-6","Cc1c(non1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4143,1160,"EDIFENPHOS","17109-49-8","CCOP(=O)(Sc1ccccc1)Sc2ccccc2","CCOP(=O)(Sc1ccccc1)Sc2ccccc2","CCOP(=O)(Sc1ccccc1)Sc2ccccc2","CCOP(=O)(Sc1ccccc1)Sc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4144,526,"4-Isoxazolecarboxylic acid, 3-methyl-5-phenyl-","17153-21-8","Cc1c(c(on1)-c2ccccc2)C(=O)O",null,"Cc1c(c(on1)-c2ccccc2)C(=O)O","Cc1c(c(on1)-c2ccccc2)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4145,3204,"Glycine, N-[N-(N-carbamoylglycyl)glycyl]-","17186-15-1","NC(=O)NCC(=O)NCC(=O)NCC(=O)O",null,"N=C(O)NCC(O)=NCC(O)=NCC(=O)O","N=C(O)NCC(O)=NCC(O)=NCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4146,2849,"Butanoic acid, 2-(ethylamino)-","17199-14-3","CCNC(CC)C(=O)O",null,"CCNC(CC)C(=O)O","CCNC(CC)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4147,3967,"Benzeneacetic acid, .alpha.-hydroxy-, (S)-","17199-29-0","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",null,null,2,0,2,"NO","NO","Mantain","High Reliability","657, 2415, 2416","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[4148,null,"1H-Imidazole-4-carboxylic acid, 2,3-dihydro-1,3-","17245-63-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4149,2688,"Glycine, N-[N-(aminocarbonyl)glycyl]-","17303-54-7","NC(=O)NCC(=O)NCC(=O)O",null,null,"NC(=O)NCC(=O)NCC(=O)O",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[4150,3291,"N-methyl-norleucine","17343-27-0","CCCCC(NC)C(=O)O",null,null,"CCCCC(NC)C(=O)O",2,0,2,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed, Checked on PubChem"]
[4151,3324,"ISOPROPYL T-BUTYL ETHER","17348-59-3","CC(C)OC(C)(C)C","CC(C)OC(C)(C)C","CC(C)OC(C)(C)C","CC(C)OC(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4152,4311,"3,5-dinitro-L-tyrosine","17360-11-1","NC(Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O","NC(Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O","NC(Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O","NC(Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4153,null,"Butanoic acid, 2-hydroxy-1,3-propanediyl ester","17364-00-0",null,null,"CCCC(=O)OCC(O)COC(=O)CCC",null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4154,2321,"Acetamide, N-acetyl-2-chloro-","17368-73-9","CC(=O)NC(=O)CCl","CC(=O)NC(=O)CCl","CC(=O)NC(=O)CCl","CC(=O)NC(=O)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4155,null,"Acetone, 4-(p-nitrophenyl)semicarbazone","17433-87-3","CC(C)=NNC(=O)Nc1ccc(cc1)[N+](=O)[O-]",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4156,322,"1,3,5-Benzenetricarboxylic acid, 2-methoxy-","17445-86-2","COc1c(cc(cc1C(=O)O)C(=O)O)C(=O)O",null,"COc1c(cc(cc1C(=O)O)C(=O)O)C(=O)O","COc1c(cc(cc1C(=O)O)C(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4157,14,"1(3H)-Isobenzofuranone, 3-ethyl-","17475-41-1","CCC1c2c(C(O1)=O)cccc2",null,"CCC1c2c(C(O1)=O)cccc2","CCC1c2c(C(O1)=O)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4158,1414,"Metolazone","17560-51-9","Cc1c(cccc1)N2C(Nc3c(C2=O)cc(S(N)(=O)=O)c(Cl)c3)C","Cc1c(cccc1)N2C(Nc3c(C2=O)cc(S(N)(=O)=O)c(Cl)c3)C","Cc1c(cccc1)N2C(Nc3c(C2=O)cc(S(N)(=O)=O)c(Cl)c3)C","Cc1c(cccc1)N2C(Nc3c(C2=O)cc(S(N)(=O)=O)c(Cl)c3)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4159,2665,"1,2,4-Triazin-3-amine, 5,6-dimethyl-","17584-12-2","Cc1c(nc(nn1)N)C","Cc1c(nc(nn1)N)C","Cc1c(nc(nn1)N)C","Cc1c(nc(nn1)N)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4160,352,"4H-1-BENZOPYRAN-4-ONE, 2,3-DIMETHYL-","17584-90-6","Cc1c(c(c2c(o1)cccc2)=O)C",null,"Cc1c(c(c2c(o1)cccc2)=O)C","Cc1c(c(c2c(o1)cccc2)=O)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4161,1510,"BENSULTAP","17606-31-4","CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c2ccccc2","CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c2ccccc2","CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c2ccccc2","CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4162,3124,"Butanedinitrile, ethyl-","17611-82-4","CCC(C#N)CC#N","CCC(C#N)CC#N","CCC(C#N)CC#N","CCC(C#N)CC#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4163,null,"benzenesulfonamide,5-amino-2-[(4-aminophenyl)su","17615-73-5",null,"Nc1ccc(cc1)S(=O)(=O)c2c(cc(cc2)N)S(N)(=O)=O",null,"Nc1ccc(cc1)S(=O)(=O)c2c(cc(cc2)N)S(N)(=O)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4164,1888,"Amicetin","17650-86-1","CC1C(CCC(O1)n2c(nc(cc2)NC(=O)c3ccc(cc3)NC(=O)C(C)(N)CO)=O)OC4C(C(C(C(O4)C)N(C)C)O)O","CC1C(CCC(O1)n2c(nc(cc2)NC(=O)c3ccc(cc3)NC(=O)C(C)(N)CO)=O)OC4C(C(C(C(O4)C)N(C)C)O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4165,null,"1,2-Benzenedicarboxylic acid, mono(2-hydroxyethy","17689-42-8",null,"O=C(O)c1c(cccc1)C(=O)OCCO",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4166,null,"2,5-Thiophenedicarboxylic acid, tetrahydro, (2S-","17694-78-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4167,2932,"2,3,4-TRICHLORONITROBENZENE","17700-09-3","O=[N+]([O-])c1c(c(c(cc1)Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(cc1)Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(cc1)Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(cc1)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4168,4247,"Acetamide, N-(3-chlorophenyl)-2-cyano-","17722-12-2","N#CCC(=O)Nc1cc(ccc1)Cl","N#CCC(=O)Nc1cc(ccc1)Cl","N#CCC(=O)Nc1cc(ccc1)Cl","N#CCC(=O)Nc1cc(ccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4169,4246,"Acetamide, N-(4-chlorophenyl)-2-cyano-","17722-17-7","N#CCC(=O)Nc1ccc(cc1)Cl","N#CCC(=O)Nc1ccc(cc1)Cl","N#CCC(=O)Nc1ccc(cc1)Cl","N#CCC(=O)Nc1ccc(cc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4170,null,"Oxanilic acid, 2',4'-dichloro-","17772-30-4",null,null,"O=C(O)C(=O)Nc1c(cc(cc1)Cl)Cl","O=C(O)C(=O)Nc1c(cc(cc1)Cl)Cl",2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[4171,616,"Sulfacytine","17784-12-2","CCn1c(nc(cc1)NS(=O)(=O)c2ccc(cc2)N)=O","CCn1c(nc(cc1)NS(=O)(=O)c2ccc(cc2)N)=O","CCn1c(nc(cc1)NS(=O)(=O)c2ccc(cc2)N)=O","CCn1c(nc(cc1)NS(=O)(=O)c2ccc(cc2)N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4172,1188,"BENOMYL","17804-35-2","CCCCNC(=O)n1c2c(nc1NC(=O)OC)cccc2","CCCCNC(=O)n1c2c(nc1NC(=O)OC)cccc2","CCCCNC(=O)n1c2c(nc1NC(=O)OC)cccc2",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4173,null,"2H-Pyran-6-carboxylic acid, 3,4-dihydro-2,3,4-tr","17894-07-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4174,3234,"D-Valine, N-acetyl-","17916-88-0","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability","784, 3322","Stereochemistry removed"]
[4175,3052,"Phenol, 4-amino-2,6-dinitro-","17973-92-1","Nc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]","Nc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]","Nc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]","Nc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4176,1466,"FENTIAZAC","18046-21-4","O=C(O)Cc1c(nc(s1)-c2ccccc2)-c3ccc(cc3)Cl","O=C(O)Cc1c(nc(s1)-c2ccccc2)-c3ccc(cc3)Cl","O=C(O)Cc1c(nc(s1)-c2ccccc2)-c3ccc(cc3)Cl","O=C(O)Cc1c(nc(s1)-c2ccccc2)-c3ccc(cc3)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4177,3164,"1-Pentene, 5-isothiocyanato-","18060-79-2","C=CCCCN=C=S","C=CCCCN=C=S","C=CCCCN=C=S","C=CCCCN=C=S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4178,957,"[1,1'-Biphenyl]-3-ol, 4-nitro-","18062-89-0","O=[N+]([O-])c1c(cc(cc1)-c2ccccc2)O","O=[N+]([O-])c1c(cc(cc1)-c2ccccc2)O","O=[N+]([O-])c1c(cc(cc1)-c2ccccc2)O","O=[N+]([O-])c1c(cc(cc1)-c2ccccc2)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4179,4043,"Benzaldehyde, 4-hydroxy-3-methoxy-2-methyl-","18102-32-4","COc1c(c(ccc1O)C=O)C",null,"COc1c(c(ccc1O)C=O)C","COc1c(c(ccc1O)C=O)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4180,null,"Ethanamine, 2-(trimethylsilyl)-","18135-04-1","C[Si](C)(C)CCN",{"$nulls":3},1,0,3,"NO","NO","Eliminate","-",null,"Unusual elements"]
[4181,99,"Benzoic acid, 4-amino-, 1-methylethyl ester","18144-43-9","CC(C)OC(=O)c1ccc(cc1)N","CC(C)OC(=O)c1ccc(cc1)N","CC(C)OC(=O)c1ccc(cc1)N","CC(C)OC(=O)c1ccc(cc1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4182,null,"2h-1-benzopyran-3-carboxamide,n,n-diethyl-2-oxo","18144-62-2",null,"CCN(CC)C(=O)c1c(oc2c(c1)cccc2)=O",null,"CCN(CC)C(=O)c1c(oc2c(c1)cccc2)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4183,null,"Methanamine, 1-(trimethylsilyl)-","18166-02-4","C[Si](C)(C)CN","C[Si](C)(C)CN","C[Si](C)(C)CN","C[Si](C)(C)CN",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[4184,3928,"IODOFENPHOS","18181-70-9","COP(=S)(OC)Oc1c(cc(c(c1)Cl)I)Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)I)Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)I)Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)I)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4185,1475,"ISOPROPYL 4,4'DIBROMOBENZILATE","18181-80-1","CC(C)OC(=O)C(O)(c1ccc(cc1)Br)c2ccc(cc2)Br","CC(C)OC(=O)C(O)(c1ccc(cc1)Br)c2ccc(cc2)Br","CC(C)OC(=O)C(O)(c1ccc(cc1)Br)c2ccc(cc2)Br","CC(C)OC(=O)C(O)(c1ccc(cc1)Br)c2ccc(cc2)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4186,null,"1-Propanamine, 3-(trimethylsilyl)-","18187-14-9","C[Si](C)(C)CCCN","C[Si](C)(C)CCCN","C[Si](C)(C)CCCN","C[Si](C)(C)CCCN",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[4187,828,"2,3,4,5,6-PCB","18259-05-7",null,"Clc1c(c(c(c(c1Cl)Cl)-c2ccccc2)Cl)Cl","Clc1c(c(c(c(c1Cl)Cl)-c2ccccc2)Cl)Cl","Clc1c(c(c(c(c1Cl)Cl)-c2ccccc2)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4188,4368,"Hydrazinecarboximidamide, N-nitro-","18264-75-0","N=C(NN)N[N+](=O)[O-]",null,"N=C(NN)N[N+](=O)[O-]","N=C(NN)N[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4189,null,"1-Naphthalenesulfonic acid, 4- (2-hydroxy-1-naph","18268-54-7",{"$nulls":3},"O=S(=O)(O)c1c2c(c(cc1)N=Nc3c4c(ccc3O)cccc4)cccc2",1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[4190,3516,"Benzenemethanol, 4-iodo-","18282-51-4","OCc1ccc(cc1)I","OCc1ccc(cc1)I","OCc1ccc(cc1)I","OCc1ccc(cc1)I",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4191,3201,"1,2-Cyclohexanedione, 3-methyl-, dioxime","18310-18-4","CC1C(C(CCC1)=NO)=NO",null,"CC1C(C(CCC1)=NO)=NO","CC1C(C(CCC1)=NO)=NO",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4192,3200,"1,2-Cyclohexanedione, 4-methyl-, dioxime","18310-19-5","CC1CC(C(CC1)=NO)=NO","CC1CC(=C(CC1)N=O)NO","CC1CC(C(CC1)=NO)=NO","CC1CC(C(CC1)=NO)=NO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4193,4146,"1,2-Cyclohexanedione, 4-isopropyl-, dioxime","18310-20-8","CC(C)C1CC(C(CC1)=NO)=NO",null,"CC(C)C1CC(C(CC1)=NO)=NO","CC(C)C1CC(C(CC1)=NO)=NO",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4194,2397,"L-Alanine, N-(aminocarbonyl)-","18409-49-9","CC(NC(N)=O)C(=O)O","CC(NC(N)=O)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed, Checked on PubChem"]
[4195,1687,"BENZ(A)ANTHRACENE-4,5-DIMETHYLENE","18429-70-4","Cc1c2c(ccc1)c3c(cc2C)cc4c(cccc4)c3","Cc1c2c(ccc1)c3c(cc2C)cc4c(cccc4)c3",null,"Cc1c2c(ccc1)c3c(cc2C)cc4c(cccc4)c3",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4196,null,"4,5-Isoxazoledione, 3-methyl-, 4-oxime","18438-56-7","CC=1C(C(ON1)=O)=NO",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4197,183,"1,2-Cyclodecanedione, dioxime","18486-81-2","ON=C1C(CCCCCCCC1)=NO",null,"ON=C1C(CCCCCCCC1)=NO","ON=C1C(CCCCCCCC1)=NO",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4198,null,"2-Cyclopenta[c]pyran-4-carboxylic acid, 1-( -D-g","18524-94-2",null,"COC(=O)C=1C2C(C(OC1)OC3C(C(C(C(O3)CO)O)O)O)C(C(C2)O)C",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[4199,1066,"NOREA","18530-56-8","CN(C)C(=O)NC1C2CC(C1)C3C2CCC3","CN(C)C(=O)NC1C2CC(C1)C3C2CCC3","CN(C)C(=O)NC1C2CC(C1)C3C2CCC3","CN(C)C(=O)NC1C2CC(C1)C3C2CCC3",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4200,2246,"Ethanesulfinothioic acid, S-ethyl ester","18542-39-7","CCSS(=O)CC","CCSS(=O)CC","CCSS(=O)CC","CCSS(=O)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4201,1064,"Albuterol","18559-94-9","CC(C)(C)NCC(O)c1cc(c(cc1)O)CO","CC(C)(C)NCC(O)c1cc(c(cc1)O)CO","CC(C)(C)NCC(O)c1cc(c(cc1)O)CO","CC(C)(C)NCC(O)c1cc(c(cc1)O)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4202,3274,"2H-PYRAN, TETRAHYDRO-2-METHOXY-6-METHYL-","18653-59-3","COC1OC(CCC1)C",null,"COC1OC(CCC1)C","COC1OC(CCC1)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4203,171,"2-Oxabicyclo[2.2.2]octan-6-one, 1,3,3-trimethyl-","18679-55-5","CC12C(CC(CC1)C(C)(C)O2)=O",null,"CC12C(CC(CC1)C(C)(C)O2)=O","CC12C(CC(CC1)C(C)(C)O2)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4204,35,"Methabenzthiazuron","18691-97-9","CNC(=O)N(C)c1sc2c(n1)cccc2","CNC(=O)N(C)c1sc2c(n1)cccc2","CNC(=O)N(C)c1sc2c(n1)cccc2",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4205,2933,"BENZENE, 1,3,5-TRICHLORO-2-NITRO-","18708-70-8","O=[N+]([O-])c1c(cc(cc1Cl)Cl)Cl","O=[N+]([O-])c1c(cc(cc1Cl)Cl)Cl","O=[N+]([O-])c1c(cc(cc1Cl)Cl)Cl","O=[N+]([O-])c1c(cc(cc1Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4206,3806,"3-Heptanol, 2-methyl-","18720-62-2","CCCCC(O)C(C)C","CCCCC(O)C(C)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4207,3813,"3-HEPTANOL, 5-METHYL-","18720-65-5","CCC(C)CC(O)CC","CCC(C)CC(O)CC",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4208,3814,"Ethylisopentylcarbinol","18720-66-6","CCC(O)CCC(C)C","CCC(O)CCC(C)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4209,null,"2,5-Selenophenedicarboxylic acid, tetrahydro-","18721-69-2","O=C(O)C1[Se]C(CC1)C(=O)O",null,"O=C(O)C1[Se]C(CC1)C(=O)O","O=C(O)C1[Se]C(CC1)C(=O)O",3,0,1,"NO","NO","Eliminate","-",null,"Unusual elements"]
[4210,null,"Glycine, N-(1-methyl-3-oxo-1-butenyl)-, ethyl es","18807-87-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4211,1030,"ISOXATHION","18854-01-8","CCOP(=S)(OCC)Oc1noc(c1)-c2ccccc2","CCOP(=S)(OCC)Oc1noc(c1)-c2ccccc2","CCOP(=S)(OCC)Oc1noc(c1)-c2ccccc2","CCOP(=S)(OCC)Oc1noc(c1)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4212,null,"Hydrazinecarbothioamide, 2-[3-[5-nitro-2-furanyl","18854-93-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4213,408,"Butanoic acid, 3-methyl-, 4-nitrophenyl ester","18934-77-5","CC(C)CC(=O)Oc1ccc(cc1)[N+](=O)[O-]",null,"CC(C)CC(=O)Oc1ccc(cc1)[N+](=O)[O-]","CC(C)CC(=O)Oc1ccc(cc1)[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4214,3496,"Benzenemethanol, 2-bromo-","18982-54-2","OCc1c(cccc1)Br","OCc1c(cccc1)Br","OCc1c(cccc1)Br","OCc1c(cccc1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4215,674,"ORYZALIN","19044-88-3","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(N)(=O)=O)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(N)(=O)=O)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(N)(=O)=O)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(N)(=O)=O)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4216,null,"acetamide,n-4-(2-pyridinylamino)sulfonylphen","19077-98-6",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4217,128,"2,4-Pteridinediamine, 6,7-diethyl-","19152-77-3","CCc1c(nc2c(n1)nc(N)nc2N)CC",null,"CCc1c(nc2c(n1)nc(=N)[nH]c2N)CC","CCc1c(nc2c(n1)nc(=N)[nH]c2N)CC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4218,3522,"Pteridine, 2-(methylamino)-","19167-57-8","CNc1nc2c(cn1)nccn2",null,"CN=c1[nH]cc2c(n1)nccn2","CN=c1[nH]cc2c(n1)nccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4219,null,"Benzenesulfonamide, 4-amino-N-2-pyridinyl-, N-ox","19250-24-9",null,"Nc1ccc(cc1)S(=O)(=O)N=c2n(cccc2)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4220,2694,"Propanamide, N-acetyl-","19264-34-7","CCC(=O)NC(C)=O",null,"CCC(=O)NC(C)=O","CCC(=O)NC(C)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4221,1398,"Nicotinamide, N-(6-methoxy-8-quinolyl)-","19275-71-9","COc1cc2c(c(c1)NC(=O)c3cnccc3)nccc2",null,"COc1cc2c(c(c1)N=C(O)c3cnccc3)nccc2","COc1cc2c(c(c1)N=C(O)c3cnccc3)nccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4222,null,"Di-1-hexanesulfonamide","19288-69-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4223,null,"1-Octanesulfonamide, N-(octylsulfonyl)-","19288-70-1","CCCCCCCCS(=O)(=O)NS(=O)(=O)CCCCCCCC",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4224,1517,"Polyoxin B","19396-06-6","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1C(C(C(O1)n2c([nH]c(c(c2)CO)=O)=O)O)O","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1C(C(C(O1)n2c([nH]c(c(c2)CO)=O)=O)O)O","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1C(C(C(O1)n2c([nH]c(c(c2)CO)=O)=O)O)O","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1C(C(C(O1)n2c([nH]c(c(c2)CO)=O)=O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4225,null,"d-chiro-inositol,3-o-(2-amino-4-((carboxyiminom","19408-46-9",null,"CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(N)C(=O)O",null,"CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)NC(=N)C(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[4226,2086,"Propanamide, 2,3-dichloro-","19433-84-2","NC(=O)C(Cl)CCl","NC(=O)C(Cl)CCl",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4227,3908,"5-Chlorovanillin","19463-48-0","COc1c(c(cc(c1)C=O)Cl)O","COc1c(c(cc(c1)C=O)Cl)O","COc1c(c(cc(c1)C=O)Cl)O","COc1c(c(cc(c1)C=O)Cl)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4228,3856,"1(3H)-Isobenzofuranone, 6-bromo-","19477-73-7","O=C1c2c(CO1)ccc(Br)c2","O=C1c2c(CO1)ccc(Br)c2","O=C1c2c(CO1)ccc(Br)c2","O=C1c2c(CO1)ccc(Br)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4229,4203,"3,5-DIMETHYL-4-HEPTANOL","19549-79-2","CCC(C)C(O)C(C)CC","CCC(C)C(O)C(C)CC",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4230,2886,"1-BUTANOL, 2,3-DIMETHYL-","19550-30-2","CC(C)C(C)CO","CC(C)C(C)CO",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4231,967,"Phenol, 2,4-dichloro-6-(phenylmethyl)-","19578-81-5","Oc1c(cc(cc1Cl)Cl)Cc2ccccc2","Oc1c(cc(cc1Cl)Cl)Cc2ccccc2","Oc1c(cc(cc1Cl)Cl)Cc2ccccc2","Oc1c(cc(cc1Cl)Cl)Cc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4232,null,"carbamicacid,(3-dimethylaminopropyl)thio-,s-e","19622-19-6",null,"CCSC(=O)NCCCN(C)C",null,"CCSC(=O)NCCCN(C)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4233,3862,"1(3H)-Isobenzofuranone, 6-chloro-","19641-29-3","O=C1c2c(CO1)ccc(Cl)c2",null,"O=C1c2c(CO1)ccc(Cl)c2","O=C1c2c(CO1)ccc(Cl)c2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4234,1332,"OXADIAZON","19666-30-9","CC(C)Oc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl","CC(C)Oc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl","CC(C)Oc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl","CC(C)Oc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4235,1005,"1-Naphthoic acid, 4-ethoxy-","19692-24-1","CCOc1c2c(c(cc1)C(=O)O)cccc2",null,null,"CCOc1c2c(c(cc1)C(=O)O)cccc2",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[4236,454,"1,2-Butanediol, 2-methyl-1-phenyl-","19757-53-0","CCC(C)(O)C(O)c1ccccc1",null,"CCC(C)(O)C(O)c1ccccc1","CCC(C)(O)C(O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4237,3749,"D-Leucine, N-acetyl-","19764-30-8","CC(=O)NC(CC(C)C)C(=O)O",null,"CC(=O)NC(CC(C)C)C(=O)O","CC(=O)NC(CC(C)C)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","2864","Stereochemistry removed"]
[4238,3748,"D-Isoleucine, N-acetyl-","19764-31-9","CCC(C)C(NC(C)=O)C(=O)O","CCC(C)C(NC(C)=O)C(=O)O","CCC(C)C(N=C(C)O)C(=O)O","CCC(C)C(N=C(C)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","4895, 4252, 4567","Stereochemistry removed"]
[4239,2462,"DL-Serine, O-methyl-","19794-53-7","COCC(N)C(=O)O","COCC(N)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[4240,2272,"4(1H)-Pyrimidinone, 5-bromo-","19808-30-1","O=c1c(c[nH]cn1)Br","O=c1c(cnc[nH]1)Br","Oc1c(cncn1)Br","Oc1c(cncn1)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4241,null,"3-pyridinecarbonitrile,6-chloro-1,2-dihydro-4-h","19867-18-6",null,"N#Cc1c(cc([nH]c1O)Cl)=O",null,"N#Cc1c([nH]c(cc1O)Cl)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4242,null,"Propanoic acid, 3-hydroxy-2-methyl-, 2,3,3a,4,5,","19889-01-1",null,"C=C1C2C(OC1=O)C=C(CO)CCC=C(C)CC2OC(=O)C(C)CO",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[4243,88,"METOXURON","19937-59-8","COc1c(cc(cc1)NC(=O)N(C)C)Cl","COc1c(cc(cc1)NC(=O)N(C)C)Cl","COc1c(cc(cc1)NC(=O)N(C)C)Cl","COc1c(cc(cc1)NC(=O)N(C)C)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4244,2577,"ETHYL ISOPROPYLAMINE","19961-27-4","CCNC(C)C","CCNC(C)C","CCNC(C)C","CCNC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4245,258,"1,2,3,4-TETRACHLORONAPHTHALENE","20020-02-4","Clc1c(c2c(c(c1Cl)Cl)cccc2)Cl","Clc1c(c2c(c(c1Cl)Cl)cccc2)Cl","Clc1c(c2c(c(c1Cl)Cl)cccc2)Cl","Clc1c(c2c(c(c1Cl)Cl)cccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4246,3051,"Benzenamine, N,4-dinitro-","20020-13-7","O=[N+]([O-])Nc1ccc(cc1)[N+](=O)[O-]",null,"O=[N+]([O-])Nc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])Nc1ccc(cc1)[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4247,1666,"BENZOIC ACID, 4-AMINO-, DODECYL ESTER","20043-94-1","CCCCCCCCCCCCOC(=O)c1ccc(cc1)N","CCCCCCCCCCCCOC(=O)c1ccc(cc1)N",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4248,450,"2-Furaldehyde, 5-nitro-, 2-pentylsemicarbazone","20049-93-8","CCCCCN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O",null,"CCCCCN(N=Cc1oc(cc1)[N+](=O)[O-])C(=N)O","CCCCCN(N=Cc1oc(cc1)[N+](=O)[O-])C(=N)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4249,null,"a-(2,2,2-trichloroethyl)styrene","20057-31-2",null,"C=C(CC(Cl)(Cl)Cl)c1ccccc1",null,"C=C(CC(Cl)(Cl)Cl)c1ccccc1",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4250,1732,"Cinmetacin","20168-99-4","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)C=Cc3ccccc3","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)C=Cc3ccccc3","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)C=Cc3ccccc3","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)C=Cc3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4251,4218,"DIETHYL PENTYL PHOSPHATE","20195-08-8","CCCCCOP(=O)(OCC)OCC","CCCCCOP(=O)(OCC)OCC","CCCCCOP(=O)(OCC)OCC","CCCCCOP(=O)(OCC)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4252,3748,"L-Alloisoleucine, N-acetyl-","20257-17-4","CCC(C)C(NC(C)=O)C(=O)O","CCC(C)C(NC(C)=O)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","4238, 4895, 4567","Stereochemistry removed, Checked on PubChem"]
[4253,4182,"Propanoic acid, 2-hydroxy-, hexyl ester","20279-51-0","CCCCCCOC(=O)C(C)O","CCCCCCOC(=O)C(C)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4254,null,"2-Butanol, 3,3-dimethyl-, (.+-.)-","20281-91-8",null,"CC(O)C(C)(C)C",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4255,null,"3-Octanol, (.+-.)-","20296-29-1",null,"CCCCCC(O)CC",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4256,null,"phosphorodithioicacid,s-[2-(ethylsulfonyl)ethy","20301-63-7",null,"CCS(=O)(=O)CCSP(=S)(OC)OC",null,"CCS(=O)(=O)CCSP(=S)(OC)OC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4257,null,"tripropyleneglycolmethylether","20324-33-8","COC(C)COC(C)COC(C)CO","COCC(C)OCC(C)OCC(C)O","COCC(C)OCC(C)OCC(C)O","COCC(C)OCC(C)OCC(C)O",3,1,0,"NO","NO","Manual Check","Verify Name"]
[4258,4230,"METHAZOLE","20354-26-1","Cn1c(n(oc1=O)-c2cc(c(cc2)Cl)Cl)=O","Cn1c(n(oc1=O)-c2cc(c(cc2)Cl)Cl)=O","Cn1c(n(oc1=O)-c2cc(c(cc2)Cl)Cl)=O","Cn1c(n(oc1=O)-c2cc(c(cc2)Cl)Cl)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4259,431,"Acetamide, N-(4-propoxyphenyl)-","20367-32-2","CCCOc1ccc(cc1)NC(C)=O","CCCOc1ccc(cc1)NC(C)=O","CCCOc1ccc(cc1)NC(C)=O","CCCOc1ccc(cc1)NC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4260,null,"Hydracrylic acid, propyl ester, acetate","20473-73-8","CCCOC(=O)CCO",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4261,null,"Hydracrylic acid, pentyl ester, acetate","20473-77-2","CCCCCOC(=O)CCO",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4262,467,"2-Bornanone, 3-(hydroxymethyl)-","20618-41-1","CC12C(C(C(CC1)C2(C)C)CO)=O","CC12C(C(C(CC1)C2(C)C)CO)=O",null,"CC12C(C(C(CC1)C2(C)C)CO)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4263,4091,"Urea, 1-methyl-1-o-tolyl-","20632-28-4","Cc1c(cccc1)N(C)C(N)=O","Cc1c(cccc1)N(C)C(N)=O",null,"Cc1c(cccc1)N(C)C(N)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4264,2854,"1-HEXYL NITRATE","20633-11-8","CCCCCCO[N+](=O)[O-]","CCCCCCO[N+](=O)[O-]","CCCCCCO[N+](=O)[O-]","CCCCCCO[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4265,null,"Propanoic acid, 2,2'-dithiobis-, meso","20664-26-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4266,null,"Propanoic acid, 2,2'-[methylenebis(thio)]bis-, (","20664-28-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4267,null,"Butanoic acid, 2,2'-thiobis-, meso","20664-34-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4268,null,"Butyric acid, 3,3'-thiodi-, meso-","20664-36-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4269,null,"Butyric acid, 2,2'-thiobis[3-methyl-, meso-","20664-40-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4270,120,"Urea, 1-ethyl-1-o-tolyl-","20722-63-8","CCN(C(N)=O)c1c(cccc1)C","CCN(C(N)=O)c1c(cccc1)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4271,null,"2-<(Z)-2,4-dinitro-phenylhydrazono>-propionic ac","20724-92-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4272,null,"Propionamide, 2,2'-oxybis-, meso-","20753-85-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4273,null,"5-pyrimidineaceticacid,1,2,3,4-tetrahydro-2,4-","20763-91-1",null,"O=C(O)Cc1c([nH]c([nH]c1)=O)=O",null,"O=C(O)Cc1c([nH]c([nH]c1)=O)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4274,null,"Arabinoic acid, 2,3:4,5-di-O-benzylidene-, D-","20769-96-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4275,1480,"Urea, N,N'-bis(4-acetylphenyl)-","20782-48-3","CC(=O)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)=O","CC(=O)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)=O","CC(=O)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)=O","CC(=O)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4276,1221,"1,2-Pentanediol, 1-phenyl-2-propyl-","20805-10-1","CCCC(O)(CCC)C(O)c1ccccc1",null,"CCCC(O)(CCC)C(O)c1ccccc1","CCCC(O)(CCC)C(O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4277,null,"1,2-Hexanediol, 2-butyl-1phenyl-","20805-11-2","CCCCC(O)(CCCC)C(O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4278,null,"1,3-Propanediol, 2-nitro-2- (nitrooxy)methyl -,","20820-44-4",{"$nulls":3},"O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])[N+](=O)[O-]",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4279,4112,"Pyridine, 2,3,4,6-tetramethyl-","20820-82-0","Cc1nc(c(c(c1)C)C)C","Cc1nc(c(c(c1)C)C)C","Cc1nc(c(c(c1)C)C)C","Cc1nc(c(c(c1)C)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4280,2212,"DIGOXIN","20830-75-5","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(C(C6)O)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(C(C6)O)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(C(C6)O)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(C(C6)O)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4281,null,"1H-2-Benzopyran-3-carboxylic, 1-oxo-, methyl est","20836-12-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4282,4245,"Chloraniformethane","20856-57-9","O=CNC(Nc1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl","O=CNC(Nc1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl","O=CNC(Nc1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl","O=CNC(Nc1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4283,523,"2H-1-Benzopyran-3-acetic acid, 2-oxo-","20862-58-2","O=C(O)Cc1c(oc2c(c1)cccc2)=O",null,"O=C(O)Cc1c(oc2c(c1)cccc2)=O","O=C(O)Cc1c(oc2c(c1)cccc2)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4284,null,"2(3H)-THIOPHENONE","20893-64-5","O=C1SC=CC1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[4285,null,"Thiourea, N,N''-methylenebis-","20939-13-3",null,null,"N=C(S)NCNC(=N)S","N=C(S)NCNC(=N)S",2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[4286,1920,"1,2,4-Thiadiazolidine-3,5-dithione","20939-17-7","S=c1[nH]c(s[nH]1)=S","S=c1[nH]c(s[nH]1)=S","S=c1[nH]c(s[nH]1)=S","S=c1[nH]c(s[nH]1)=S",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4287,3716,"METRIBUZIN","21087-64-9","CSc1n(c(c(nn1)C(C)(C)C)=O)N","CSc1n(c(c(nn1)C(C)(C)C)=O)N","CSc1n(c(c(nn1)C(C)(C)C)=O)N","CSc1n(c(c(nn1)C(C)(C)C)=O)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4288,null,"1,3,4-Pentanetricarboxylic acid, [R-(R*,R*)]-","21142-58-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4289,1577,"Tonalid","21145-77-7","CC(=O)c1c(cc2c(c1)C(CC(C2(C)C)C)(C)C)C","CC(=O)c1c(cc2c(c1)C(CC(C2(C)C)C)(C)C)C","CC(=O)c1c(cc2c(c1)C(CC(C2(C)C)C)(C)C)C","CC(=O)c1c(cc2c(c1)C(CC(C2(C)C)C)(C)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4290,3871,"1,3-Benzenedicarboxylic acid, 2-nitro-","21161-11-5","O=C(O)c1c(c(ccc1)C(=O)O)[N+](=O)[O-]","O=C(O)c1c(c(ccc1)C(=O)O)[N+](=O)[O-]","O=C(O)c1c(c(ccc1)C(=O)O)[N+](=O)[O-]","O=C(O)c1c(c(ccc1)C(=O)O)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4291,575,"Prynachlor","21267-72-1","C#CC(C)N(C(=O)CCl)c1ccccc1","C#CC(C)N(C(=O)CCl)c1ccccc1","C#CC(C)N(C(=O)CCl)c1ccccc1","C#CC(C)N(C(=O)CCl)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4292,2519,"2-Butanol, 3-chloro-2-methyl-","21326-62-5","CC(Cl)C(C)(C)O",null,"CC(Cl)C(C)(C)O","CC(Cl)C(C)(C)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4293,929,"4,6-dinitro-biphenyl-3-ol","21419-76-1","O=[N+]([O-])c1c(cc(c(c1)[N+](=O)[O-])-c2ccccc2)O",null,"O=[N+]([O-])c1c(cc(c(c1)[N+](=O)[O-])-c2ccccc2)O","O=[N+]([O-])c1c(cc(c(c1)[N+](=O)[O-])-c2ccccc2)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4294,373,"L-cystein, N-acetyl-S-(4-chlorophenyl)-","21462-48-6","CC(=O)NC(CSc1ccc(cc1)Cl)C(=O)O","CC(=O)NC(CSc1ccc(cc1)Cl)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[4295,2794,"FOSTHIETAN","21548-32-3","CCOP(=O)(N=C1SCS1)OCC","CCOP(=O)(N=C1SCS1)OCC","CCOP(=O)(N=C1SCS1)OCC","CCOP(=O)(N=C1SCS1)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4296,4235,"2-(THIOCYANATEMETHYLTHIO)BENZOTHIAZOLE","21564-17-0",null,"N#CSCSc1sc2c(n1)cccc2","N#CSCSc1sc2c(n1)cccc2","N#CSCSc1sc2c(n1)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4297,3808,"4-HEPTANOL, 2-METHYL-","21570-35-4","CCCC(O)CC(C)C","CCCC(O)CC(C)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4298,966,"LEPTOPHOS","21609-90-5","COP(=S)(Oc1c(cc(c(c1)Cl)Br)Cl)c2ccccc2","COP(=S)(Oc1c(cc(c(c1)Cl)Br)Cl)c2ccccc2","COP(=S)(Oc1c(cc(c(c1)Cl)Br)Cl)c2ccccc2","COP(=S)(Oc1c(cc(c(c1)Cl)Br)Cl)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4299,null,"Acetamide, N-(1,3-dihydro-1-oxo-6-isobenzofurany","21626-90-4",{"$nulls":3},"CC(=O)Nc1cc2c(cc1)COC2=O",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4300,4109,"CYANAZINE","21725-46-2","CCNc1nc(nc(n1)Cl)NC(C)(C)C#N","CCNc1nc(nc(n1)Cl)NC(C)(C)C#N","CCNc1nc(nc(n1)Cl)NC(C)(C)C#N","CCNc1nc(nc(n1)Cl)NC(C)(C)C#N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4301,3352,"Benzoic acid, 5-bromo-2-chloro-","21739-92-4","O=C(O)c1c(ccc(c1)Br)Cl","O=C(O)c1c(ccc(c1)Br)Cl","O=C(O)c1c(ccc(c1)Br)Cl","O=C(O)c1c(ccc(c1)Br)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4302,4314,"2H-1,4-Benzoxazin-3(4H)-one, 4-methyl-","21744-84-3","CN1c2c(OCC1=O)cccc2","CN1c2c(OCC1=O)cccc2","CN1c2c(OCC1=O)cccc2","CN1c2c(OCC1=O)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4303,null,"aceticacid,1-(3,4-dichlorophenyl)-2,2,2-trichl","21757-82-4",null,"CC(=O)OC(c1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl",null,"CC(=O)OC(c1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4304,3834,"Di-sec-butanolamine","21838-75-5","CCC(O)CNCC(O)CC","CCC(O)CNCC(O)CC",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4305,null,"ISOPENTYL NITRATE","21981-48-6","CC(C)CCO[N+](=O)[O-]","CCCC(C)O[N+](=O)[O-]","CC(C)CCO[N+](=O)[O-]","CCCC(C)O[N+](=O)[O-]",2,2,0,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4306,2302,"2-Butenoic acid, 2-chloro-, (E)-","22038-56-8","CC=C(Cl)C(=O)O","CC=C(Cl)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed, Checked on PubChem"]
[4307,3289,"Cartap Hydrochloride","22042-59-7","CN(C)C(CSC(N)=O)CSC(N)=O","CN(C)C(CSC(N)=O)CSC(N)=O","CN(C)C(CSC(N)=O)CSC(N)=O","CN(C)C(CSC(N)=O)CSC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[4308,1406,"KETOPROFEN","22071-15-4","CC(C(=O)O)c1cc(ccc1)C(=O)c2ccccc2","CC(C(=O)O)c1cc(ccc1)C(=O)c2ccccc2","CC(C(=O)O)c1cc(ccc1)C(=O)c2ccccc2","CC(C(=O)O)c1cc(ccc1)C(=O)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4309,2292,"1,2,3-Thiadiazole-4-carboxylic acid, 5-methyl-","22097-10-5","Cc1c(nns1)C(=O)O",null,"Cc1c(nns1)C(=O)O","Cc1c(nns1)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4310,null,"Butanedioic acid, [(ethoxythioxomethyl)thio]-","22119-15-9","CCOC(=S)SC(CC(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4311,null,"BIOPTERIN","22150-76-1","CC(O)C(O)C=1CNc2c(N1)c(nc([nH]2)N)=O","CC(O)C(O)c1nc2c(nc1)[nH]c(N)nc2=O",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4312,1153,"NAPROSYN","22204-53-1","COc1cc2c(cc1)cc(C(C)C(=O)O)cc2","COc1cc2c(cc1)cc(C(C)C(=O)O)cc2","COc1cc2c(cc1)cc(C(C)C(=O)O)cc2","COc1cc2c(cc1)cc(C(C)C(=O)O)cc2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Differences in counterions"]
[4313,1550,"BENZOYLPROP ETHYL","22212-55-1","CCOC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)Cl)Cl","CCOC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)Cl)Cl","CCOC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)Cl)Cl","CCOC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4314,1068,"FENAMIPHOS","22224-92-6","CCOP(=O)(NC(C)C)Oc1cc(c(cc1)SC)C","CCOP(=O)(NC(C)C)Oc1cc(c(cc1)SC)C","CCOP(=O)(NC(C)C)Oc1cc(c(cc1)SC)C","CCOP(=O)(NC(C)C)Oc1cc(c(cc1)SC)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4315,328,"TETRACHLORVINPHOS","22248-79-9","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability","2777","Stereochemistry removed"]
[4316,427,"FORMETANATE","22259-30-9","CNC(=O)Oc1cc(ccc1)N=CN(C)C","CNC(=O)Oc1cc(ccc1)N=CN(C)C","CNC(=O)Oc1cc(ccc1)N=CN(C)C","CNC(=O)Oc1cc(ccc1)N=CN(C)C",4,0,0,"NO","NO","Mantain","High Reliability","4341","Differences in counterions"]
[4317,3117,"METHYL 3-AMINOTHIOPHENE-2-CARBOXYLATE","22288-78-4","COC(=O)c1c(ccs1)N","COC(=O)c1c(ccs1)N","COC(=O)c1c(ccs1)N","COC(=O)c1c(ccs1)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4318,null,"Tetrachlorvinphos (E-isomer)","22350-76-1",{"$nulls":3},"COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl",1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed, Isomeric mix"]
[4319,null,"Sulfanilamide, N1-(1,4-dihydro-1,4-dioxo-2-napht","22359-66-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4320,102,"Acetamide, N-(4-ethoxyphenyl)-2-hydroxy-","22521-79-5","CCOc1ccc(cc1)NC(=O)CO","CCOc1ccc(cc1)NC(=O)CO","CCOc1ccc(cc1)NC(=O)CO","CCOc1ccc(cc1)NC(=O)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4321,1391,"Acetic acid, bis(2-carboxyphenyl)-","22589-07-7","O=C(O)c1c(cccc1)C(C(=O)O)c2c(cccc2)C(=O)O",null,"O=C(O)c1c(cccc1)C(C(=O)O)c2c(cccc2)C(=O)O","O=C(O)c1c(cccc1)C(C(=O)O)c2c(cccc2)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4322,null,"Propanoic acid, 2,2'-selenobis-, (R*,S*)-","22659-18-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4323,null,"Butyric acid, 2,2'-selenodi-, meso-","22659-20-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4324,null,"Glycolic acid, propyl ester, nitrate","22665-54-9","CCCOC(=O)CO",null,"CCCOC(=O)CO[N+](=O)[O-]","CCCOC(=O)CO[N+](=O)[O-]",2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[4325,null,"methanesulfonamide,n-phenyl-n-((1,1,2,2-tetrach","22729-75-5",null,"CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)c1ccccc1",null,"CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)c1ccccc1",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4326,null,"Benzenepropanoic acid, 2-nitro-.beta.-oxo-","22751-16-2","O=C(O)CC(=O)c1c(cccc1)[N+](=O)[O-]",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4327,404,"BENDIOCARB","22781-23-3","CNC(=O)Oc1c2c(ccc1)OC(O2)(C)C","CNC(=O)Oc1c2c(ccc1)OC(O2)(C)C","CNC(=O)Oc1c2c(ccc1)OC(O2)(C)C","CNC(=O)Oc1c2c(ccc1)OC(O2)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4328,1197,"Anisomycin","22862-76-6","COc1ccc(cc1)CC2C(C(CN2)O)OC(C)=O","COc1ccc(cc1)CC2C(C(CN2)O)OC(C)=O","COc1ccc(cc1)CC2C(C(CN2)O)OC(C)=O","COc1ccc(cc1)CC2C(C(CN2)O)OC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4329,null,"propanoicacid,2,2,3,3-tetrafluoro-,sodiumsal","22898-01-7",null,"O=C(O)C(F)(F)C(F)F",null,"O=C(O)C(F)(F)C(F)F",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4330,null,"1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(1-n","22915-90-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4331,489,"DIMETHAMRTRYNE","22936-75-0",null,"CCNc1nc(nc(n1)NC(C)C(C)C)SC","CCNc1nc(nc(n1)NC(C)C(C)C)SC","CCNc1nc(nc(n1)NC(C)C(C)C)SC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4332,4122,"CYPRAZINE","22936-86-3","CC(C)Nc1nc(nc(n1)Cl)NC2CC2","CC(C)Nc1nc(nc(n1)Cl)NC2CC2","CC(C)Nc1nc(nc(n1)Cl)NC2CC2","CC(C)Nc1nc(nc(n1)Cl)NC2CC2",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[4333,null,"1h-imidazole-1-acetamide,2-nitro-n-(phenylmethy","22994-85-0",null,"O=C(Cn1c(ncc1)[N+](=O)[O-])NCc2ccccc2",null,"O=C(Cn1c(ncc1)[N+](=O)[O-])NCc2ccccc2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4334,1652,"PRALLETHRIN","23031-36-9","C#CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O","C#CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O","C#CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O","C#CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4335,null,"1h-purine-2,6-dione,7-ethyl-3,7-dihydro-1,3-dim","23043-88-1",null,"CCn1c2c(nc1)n(c(n(c2=O)C)=O)C",null,"CCn1c2c(nc1)n(c(n(c2=O)C)=O)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4336,466,"PIRIMICARB","23103-98-2","Cc1c(c(nc(n1)N(C)C)OC(=O)N(C)C)C","Cc1c(c(nc(n1)N(C)C)OC(=O)N(C)C)C","Cc1c(c(nc(n1)N(C)C)OC(=O)N(C)C)C","Cc1c(c(nc(n1)N(C)C)OC(=O)N(C)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4337,3232,"OXAMYL","23135-22-0","CNC(=O)ON=C(SC)C(=O)N(C)C","CNC(=O)ON=C(SC)C(=O)N(C)C","CNC(=O)ON=C(SC)C(=O)N(C)C","CNC(=O)ON=C(SC)C(=O)N(C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4338,null,"1h-purine-2,6-dione,3,7-dihydro-7-(3-hydroxypro","23146-04-5",null,"Cn1c(n(c2c(c1=O)n(cn2)CCCO)C)=O",null,"Cn1c(n(c2c(c1=O)n(cn2)CCCO)C)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4339,1520,"BUTACHLOR","23184-66-9","CCCCOCN(C(=O)CCl)c1c(cccc1CC)CC","CCCCOCN(C(=O)CCl)c1c(cccc1CC)CC","CCCCOCN(C(=O)CCl)c1c(cccc1CC)CC","CCCCOCN(C(=O)CCl)c1c(cccc1CC)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4340,714,"DI(TRIMETHYLOLPROPANE)","23235-61-2","CCC(CO)(CO)COCC(CC)(CO)CO","CCC(CO)(CO)COCC(CC)(CO)CO","CCC(CO)(CO)COCC(CC)(CO)CO","CCC(CO)(CO)COCC(CC)(CO)CO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4341,427,"FORMETANATE HYDROCHLORIDE","23422-53-9","CNC(=O)Oc1cc(ccc1)N=CN(C)C","CNC(=O)Oc1cc(ccc1)N=CN(C)C","CNC(=O)Oc1cc(ccc1)N=CN(C)C","CNC(=O)Oc1cc(ccc1)N=CN(C)C",4,0,0,"NO","NO","Mantain","High Reliability","4316","Differences in counterions"]
[4342,1071,"PIRIMIPHOS ETHYL","23505-41-1","CCOP(=S)(OCC)Oc1nc(nc(c1)C)N(CC)CC","CCOP(=S)(OCC)Oc1nc(nc(c1)C)N(CC)CC","CCOP(=S)(OCC)Oc1nc(nc(c1)C)N(CC)CC","CCOP(=S)(OCC)Oc1nc(nc(c1)C)N(CC)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4343,4088,"Heptenophos","23560-59-0","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4344,619,"THIOPHANATE-METHYL","23564-05-8","COC(=O)NC(=S)Nc1c(cccc1)NC(=S)NC(=O)OC","COC(=O)NC(=S)Nc1c(cccc1)NC(=S)NC(=O)OC","COC(=O)NC(=S)Nc1c(cccc1)NC(=S)NC(=O)OC","COC(=O)NC(=S)Nc1c(cccc1)NC(=S)NC(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4345,694,"Octanedioic acid, 3,3,6,6-tetramethyl-","23578-38-3","CC(C)(CCC(C)(C)CC(=O)O)CC(=O)O",null,"CC(C)(CCC(C)(C)CC(=O)O)CC(=O)O","CC(C)(CCC(C)(C)CC(=O)O)CC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4346,659,"N-HEXYL NICOTINOATE","23597-82-2",null,"CCCCCCOC(=O)c1cnccc1","CCCCCCOC(=O)c1cnccc1","CCCCCCOC(=O)c1cnccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4347,null,"phosphonicacid,(1,6-hexanediylbis(nitrilobis(m","23605-74-5",null,"O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O",null,"O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4348,3601,"1H-Purin-8-amine, N,N-dimethyl-","23687-23-2","CN(C)c1nc2-c(n1)c[nH]cn2","CN(C)c1[nH]c2c(n1)ncnc2","CN(C)c1[nH]c2c(n1)cncn2","CN(C)c1[nH]c2c(n1)cncn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4349,4019,"Pteridine, 2,6,7-trimethyl-","23767-00-2","Cc1nc2c(cn1)nc(C)c(C)n2",null,"Cc1nc2c(cn1)nc(C)c(C)n2","Cc1nc2c(cn1)nc(C)c(C)n2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4350,3290,"D-Glucose, (aminocarbonyl)hydrazone","23789-57-3","NC(=O)NN=CC(O)C(O)C(O)C(O)CO",null,"N=C(O)NN=CC(O)C(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)C(O)CO",3,0,1,"NO","NO","Mantain","Medium Reliability","3799, 4742","Stereochemistry removed"]
[4351,null,"Benzenesulfonic acid, p-[(p-nitrophenyl)azo]-","23792-61-2","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)S(=O)(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4352,null,"5-pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-","23945-44-0","O=C(O)C=1CNCNC1","O=C(O)c1c([nH]c([nH]c1)=O)=O",null,"O=C(O)c1c(nc(nc1)O)O",2,1,1,"NO","NO","Manual Check","Verify Name"]
[4353,554,"PRONAMIDE","23950-58-5","C#CC(C)(C)NC(=O)c1cc(cc(c1)Cl)Cl","C#CC(C)(C)NC(=O)c1cc(cc(c1)Cl)Cl","C#CC(C)(C)NC(=O)c1cc(cc(c1)Cl)Cl","C#CC(C)(C)NC(=O)c1cc(cc(c1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4354,647,"TRIAZOPHOS","24017-47-8","CCOP(=S)(OCC)Oc1nn(cn1)-c2ccccc2","CCOP(=S)(OCC)Oc1nn(cn1)-c2ccccc2","CCOP(=S)(OCC)Oc1nn(cn1)-c2ccccc2","CCOP(=S)(OCC)Oc1nn(cn1)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4355,1129,"Naphtho[2,3-c]furan-1(3H)-one, 3,3-dimethyl-","24018-57-3","CC1(c2c(C(O1)=O)cc3c(cccc3)c2)C",null,"CC1(c2c(C(O1)=O)cc3c(cccc3)c2)C","CC1(c2c(C(O1)=O)cc3c(cccc3)c2)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4356,null,"Benzoic acid, 3,5-dihydroxy-4-methoxy-, methyl e","24093-81-0",{"$nulls":3},"COC(=O)c1cc(c(c(c1)O)OC)O",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4357,4009,"2-methyl-4-bromoacetanilide","24106-05-6",null,"CC(=O)Nc1c(cc(cc1)Br)C",null,"CC(=O)Nc1c(cc(cc1)Br)C",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[4358,1229,"PIPEROPHOS","24151-93-7","CCCOP(=S)(OCCC)SCC(=O)N1C(CCCC1)C","CCCOP(=S)(OCCC)SCC(=O)N1C(CCCC1)C","CCCOP(=S)(OCCC)SCC(=O)N1C(CCCC1)C","CCCOP(=S)(OCCC)SCC(=O)N1C(CCCC1)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4359,null,"acetamide-2-chloro-n-(2,6-dimethylphenyl)-n-((2-","24353-58-0",null,"Cc1c(c(ccc1)C)N(COCC(C)C)C(=O)CCl",null,"Cc1c(c(ccc1)C)N(COCC(C)C)C(=O)CCl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4360,3614,"Benzenesulfonic acid, 4-(methylamino)-","24447-99-2","CNc1ccc(cc1)S(=O)(=O)O","CNc1ccc(cc1)S(=O)(=O)O","CNc1ccc(cc1)S(=O)(=O)O","CNc1ccc(cc1)S(=O)(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4361,null,"Thiocyanic acid, 1,2,3-propanetriyl ester","24487-40-9","N#CSCC(CSC#N)SC#N",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4362,4195,"Propamocarb","24579-73-5","CCCOC(=O)NCCCN(C)C","CCCOC(=O)NCCCN(C)C","CCCOC(=O)NCCCN(C)C","CCCOC(=O)NCCCN(C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[4363,1022,"PYRACARBOLID","24691-76-7","CC=1OCCCC1C(=O)Nc2ccccc2","CC=1OCCCC1C(=O)Nc2ccccc2","CC=1OCCCC1C(=O)Nc2ccccc2","CC=1OCCCC1C(=O)Nc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4364,565,"Fenfuram","24691-80-3","Cc1c(cco1)C(=O)Nc2ccccc2","Cc1c(cco1)C(=O)Nc2ccccc2","Cc1c(cco1)C(=O)Nc2ccccc2","Cc1c(cco1)C(=O)Nc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4365,196,"Hexanedioic acid, 3-butyl-","24767-93-9","CCCCC(CCC(=O)O)CC(=O)O",null,"CCCCC(CCC(=O)O)CC(=O)O","CCCCC(CCC(=O)O)CC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4366,3465,"4(3H)-Pteridinone, 3-methyl-","24851-65-8","Cn1c(c2c(nc1)nccn2)=O",null,"Cn1c(c2c(nc1)nccn2)=O","Cn1c(c2c(nc1)nccn2)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4367,null,"cyclopentaneaceticacid,3-oxo-2-pentyl-,methyl","24851-98-7",null,"CCCCCC1C(CCC1=O)CC(=O)OC",null,"CCCCCC1C(CCC1=O)CC(=O)OC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4368,1541,"4(1H)-Pteridinone, 6,7-diphenyl-","24863-39-6","O=c1c2c([nH]cn1)nc(-c3ccccc3)c(-c4ccccc4)n2",null,"Oc1c2c(ncn1)nc(-c3ccccc3)c(-c4ccccc4)n2","Oc1c2c(ncn1)nc(-c3ccccc3)c(-c4ccccc4)n2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4369,3515,"Phenol, 2-iodo-6-methyl-","24885-45-8","Cc1c(c(ccc1)I)O",null,"Cc1c(c(ccc1)I)O","Cc1c(c(ccc1)I)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4370,918,"3,5-Dichlorodiphenyl ether","24910-68-7",null,null,"Clc1cc(cc(c1)Cl)Oc2ccccc2","Clc1cc(cc(c1)Cl)Oc2ccccc2",2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4371,919,"2,5-Dichlorodiphenyl ether","24910-69-8",null,"Clc1cc(c(cc1)Cl)Oc2ccccc2","Clc1cc(c(cc1)Cl)Oc2ccccc2","Clc1cc(c(cc1)Cl)Oc2ccccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4372,882,"3,4',5-Trichlorodiphenyl ether","24910-73-4",null,"Clc1ccc(cc1)Oc2cc(cc(c2)Cl)Cl","Clc1ccc(cc1)Oc2cc(cc(c2)Cl)Cl","Clc1ccc(cc1)Oc2cc(cc(c2)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4373,2544,"CHLORMEPHOS","24934-91-6","CCOP(=S)(OCC)SCCl","CCOP(=S)(OCC)SCCl","CCOP(=S)(OCC)SCCl","CCOP(=S)(OCC)SCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4374,null,"VINYLTOLUENE","25013-15-4","C=Cc1c(cccc1)C","C=Cc1cc(ccc1)C",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4375,60,"BENTAZONE","25057-89-0","CC(C)N1S(Nc2c(C1=O)cccc2)(=O)=O","CC(C)N1S(Nc2c(C1=O)cccc2)(=O)=O","CC(C)N1S(Nc2c(C1=O)cccc2)(=O)=O","CC(C)N1S(Nc2c(C1=O)cccc2)(=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4376,348,"BENAZOLIN-ETHYL","25059-80-7","CCOC(=O)Cn1c2c(sc1=O)cccc2Cl","CCOC(=O)Cn1c2c(sc1=O)cccc2Cl","CCOC(=O)Cn1c2c(sc1=O)cccc2Cl","CCOC(=O)Cn1c2c(sc1=O)cccc2Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4377,3888,"Acetic acid, (2,4-dinitrophenoxy)-","25141-25-7","O=C(O)COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4378,null,"NONYLPHENOL (isomer mixture)","25154-52-3",null,"CCCCCCCCCc1c(cccc1)O",null,null,1,0,3,"NO","NO","Eliminate","-",null,"Mixture"]
[4379,null,"DINITROBENZENES","25154-54-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4380,null,"P-I-PROPYLTOLUENE","25155-15-1",null,"Cc1c(cccc1)C(C)C",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4381,3043,"CHLOROPHENOL","25167-80-0","Oc1c(cccc1)Cl","Oc1c(cccc1)Cl",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","751","Checked on PubChem"]
[4382,null,"CHLOROTOLUENE","25168-05-2","Cc1c(cccc1)Cl","ClCc1ccccc1","*Cl","*Cl",0,2,2,"YES","NO","Eliminate","-",null,"Inorganic, Missing/ambiguous"]
[4383,null,"2,4-D, ISOOCTYL ESTER","25168-26-7",null,"CCCCC(CC)COC(=O)COc1c(cc(cc1)Cl)Cl",null,"*C",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4384,null,"HEXENE - Mixture of isomers","25264-93-1",null,"CC=CCCC",null,null,1,0,3,"NO","NO","Eliminate","-",null,"Stereochemistry removed, Mixture"]
[4385,null,"DIPROPYLENE GLYCOL","25265-71-8","CC(O)COC(C)CO","CCC(O)OC(O)CC",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4386,2437,"IODOBUTANE","25267-27-0","CCCCI","CCCCI",null,null,2,0,2,"NO","NO","Mantain","High Reliability","2092","Checked on ChemID, Checked on PubChem"]
[4387,1371,"ISOFENPHOS","25311-71-1","CCOP(=S)(NC(C)C)Oc1c(cccc1)C(=O)OC(C)C","CCOP(=S)(NC(C)C)Oc1c(cccc1)C(=O)OC(C)C","CCOP(=S)(NC(C)C)Oc1c(cccc1)C(=O)OC(C)C","CCOP(=S)(NC(C)C)Oc1c(cccc1)C(=O)OC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4388,601,"Ethyl 2-formamido phenyl acrylate","25315-34-8",null,null,"CCOC(=O)C(=Cc1ccccc1)N=CO","CCOC(=O)C(=Cc1ccccc1)N=CO",2,0,2,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed, Checked on PubChem"]
[4389,null,"Benzenesulfonamide, 4-(mannopyranosylamino)-","25318-84-7","NS(=O)(=O)c1ccc(cc1)NC2C(C(C(C(O2)CO)O)O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[4390,389,"MCPA-thioethyl","25319-90-8","CCSC(=O)COc1c(cc(cc1)Cl)C","CCSC(=O)COc1c(cc(cc1)Cl)C","CCSC(=O)COc1c(cc(cc1)Cl)C","CCSC(=O)COc1c(cc(cc1)Cl)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4391,666,"DIISOPROPYLBENZENE","25321-09-9","CC(C)c1c(cccc1)C(C)C","CC(C)c1c(cccc1)C(C)C",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[4392,null,"DINITROTOLUENE","25321-14-6","Cc1c(c(ccc1)[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4393,null,"DICHLOROBENZENE","25321-22-6","Clc1c(cccc1)Cl","Clc1c(cccc1)Cl",null,null,2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[4394,null,"TETRACHLOROETHANES","25322-20-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4395,null,"TRICHLOROETHANE","25323-89-1","CC(Cl)(Cl)Cl",null,"CC(Cl)(Cl)Cl",null,2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[4396,111,"DIETHYLBENZENE","25340-17-4","CCc1c(cccc1)CC","CCc1c(cccc1)CC",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","1522","Checked on ChemID"]
[4397,null,"1-<hydroxyimino-(seqtrans)>-1-phenyl-acetone","25355-34-4",null,"CC(=O)C(=NO)c1ccccc1",null,"CC(=O)C(=NO)c1ccccc1",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[4398,3099,"THIAZAFLURON","25366-23-8","CNC(=O)N(C)c1sc(nn1)C(F)(F)F","CNC(=O)N(C)c1sc(nn1)C(F)(F)F","CNC(=O)N(C)c1sc(nn1)C(F)(F)F","CNC(=O)N(C)c1sc(nn1)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4399,1901,"1,2-Dibromoethene","25429-23-6","BrC=CBr","BrC=CBr","BrC=CBr",null,3,0,1,"NO","NO","Mantain","Medium Reliability","2283","Stereochemistry removed"]
[4400,null,"HYDROXYCINNAMIC ACID","25429-38-3","O=C(O)C(O)=Cc1ccccc1","O=C(O)C=Cc1cc(ccc1)O","O=C(O)C=Cc1ccc(cc1)O",null,0,3,1,"YES","NO","Eliminate","-",null,"Stereochemistry removed, Missing/ambiguous"]
[4401,244,"Dowanol TPM","25498-49-1","COCC(C)OCC(C)OC(C)CO","COCC(C)OCC(C)OC(C)CO",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4402,912,"Biphenyl, dichloro-","25512-42-9","Clc1c(c(ccc1)-c2ccccc2)Cl","Clc1c(c(ccc1)-c2ccccc2)Cl",null,null,2,0,2,"NO","NO","Mantain","High Reliability","4106","Checked on ChemID, Checked on PubChem"]
[4403,null,"METHYL ETHYL BENZENE","25550-14-5","CCc1c(cccc1)C","CCc1c(cccc1)C",null,null,2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[4404,null,"DINITROPHENOL","25550-58-7","O=[N+]([O-])c1c(c(ccc1)O)[N+](=O)[O-]",null,"O=[N+]([O-])c1cc(c(cc1)O)[N+](=O)[O-]",null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4405,902,"2,3'-DICHLOROBIPHENYL","25569-80-6","Clc1cc(ccc1)-c2c(cccc2)Cl","Clc1cc(ccc1)-c2c(cccc2)Cl","Clc1cc(ccc1)-c2c(cccc2)Cl","Clc1cc(ccc1)-c2c(cccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4406,1946,"DIBROMOETHANE","25620-62-6","CC(Br)Br","CC(Br)Br",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on ChemID"]
[4407,null,"ISOPROPYLBIPHENYL","25640-78-2","CC(C)c1c(cccc1)-c2ccccc2","CC(C)c1ccc(cc1)-c2ccccc2",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4408,null,"Carbonic acid, dithio-, O-benzyl ester, S-ester","25646-09-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4409,null,"TRICHLOROPROPANE","25735-29-9","CCC(Cl)(Cl)Cl","CCC(Cl)(Cl)Cl","ClCC(Cl)CCl",null,2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[4410,2872,"HEXANOL","25917-35-5","CCCCCCO","CCCCCCO",null,null,2,0,2,"NO","NO","Mantain","High Reliability","1213","Checked on ChemID, Checked on PubChem"]
[4411,2185,"FOSAMINE AMMONIUM SALT","25954-13-6","CCOP(=O)(O)C(N)=O","CCOP(=O)(O)C(N)=O","CCOP(=O)(O)C(N)=O","CCOP(=O)(O)C(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4412,1825,"PHENOTHRIN","26002-80-2","CC(C)=CC1C(C1C(=O)OCc2cc(ccc2)Oc3ccccc3)(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(ccc2)Oc3ccccc3)(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(ccc2)Oc3ccccc3)(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(ccc2)Oc3ccccc3)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4413,520,"1,4-Naphthalenedione, 2-(methylthio)-","26037-60-5","CSC=1C(c2c(C(C1)=O)cccc2)=O","CSC=1C(c2c(C(C1)=O)cccc2)=O","CSC=1C(c2c(C(C1)=O)cccc2)=O","CSC=1C(c2c(C(C1)=O)cccc2)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4414,null,"IBP (IPROBENFOS)","26087-47-8",null,"CC(C)OP(=O)(OC(C)C)SCc1ccccc1",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4415,1048,"ETHOFUMESATE","26225-79-6","CCOC1C(c2c(O1)ccc(OS(C)(=O)=O)c2)(C)C","CCOC1C(c2c(O1)ccc(OS(C)(=O)=O)c2)(C)C","CCOC1C(c2c(O1)ccc(OS(C)(=O)=O)c2)(C)C","CCOC1C(c2c(O1)ccc(OS(C)(=O)=O)c2)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4416,null,"DIBROMOBENZENE","26249-12-7","Brc1c(cccc1)Br","Brc1c(cccc1)Br","Brc1ccc(cc1)Br",null,2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[4417,205,"SECBUMETON","26259-45-0","CCNc1nc(nc(n1)NC(C)CC)OC","CCNc1nc(nc(n1)NC(C)CC)OC","CCNc1nc(nc(n1)NC(C)CC)OC","CCNc1nc(nc(n1)NC(C)CC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4418,1166,"PROFLURALIN","26399-36-0","CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4419,3715,"Tirpate","26419-73-8","CNC(=O)ON=CC1(SC(CS1)C)C","CNC(=O)ON=CC1(SC(CS1)C)C","CNC(=O)ON=CC1(SC(CS1)C)C","CNC(=O)ON=CC1(SC(CS1)C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4420,null,"CRESYL DIPHENYL PHOSPHATE","26444-49-5","Cc1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3ccccc3","Cc1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3ccccc3","*C","*C",2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[4421,null,"PHOSPHORIC ACID, BIS(METHYLPHENYL) PHENYL ESTER","26446-73-1","Cc1c(cccc1)OP(=O)(Oc2ccccc2)Oc3c(cccc3)C","Cc1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3c(cccc3)C",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4422,472,"3(2H)-ISOTHIAZOLONE, 2-OCTYL-","26530-20-1","CCCCCCCCn1c(ccs1)=O","CCCCCCCCn1c(ccs1)=O","CCCCCCCCn1c(ccs1)=O","CCCCCCCCn1c(ccs1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4423,788,"HEXACHLOROBIPHENYL","26601-64-9","Clc1c(cccc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4424,3843,"Phosphoric acid, diethyl 2-methylpropyl ester","26628-97-7","CCOP(=O)(OCC)OCC(C)C",null,"CCOP(=O)(OCC)OCC(C)C","CCOP(=O)(OCC)OCC(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4425,null,"DICHLOROPROPANE","26638-19-7","CCC(Cl)Cl",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4426,2050,"ISOFLURANE","26675-46-7","FC(F)OC(Cl)C(F)(F)F","FC(F)OC(Cl)C(F)(F)F","FC(F)OC(Cl)C(F)(F)F","FC(F)OC(Cl)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4427,586,"Pentanoic acid, 4-oxo-3-(phenylmethylene)-","26717-32-8","CC(=O)C(=Cc1ccccc1)CC(=O)O",null,"CC(=O)C(=Cc1ccccc1)CC(=O)O","CC(=O)C(=Cc1ccccc1)CC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4428,3239,"Mevinphos","26718-65-0","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",4,0,0,"NO","NO","Mantain","High Reliability","1688, 3885","Stereochemistry removed"]
[4429,null,"DIPHENYLUREA","26763-63-3","NC(=O)N(c1ccccc1)c2ccccc2","NC(=O)N(c1ccccc1)c2ccccc2","O=C(Nc1ccccc1)Nc2ccccc2",null,2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[4430,null,"Propanedioic acid, aminomethyl-","26767-88-4","NCC(C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4431,285,"4(1H)-Pyrimidinone, 5-bromo-2-phenyl-","26786-28-7","O=c1c(c[nH]c(n1)-c2ccccc2)Br",null,null,"O=c1c(cnc([nH]1)-c2ccccc2)Br",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[4432,2709,"HEXYNE","26856-30-4","C#CCCCC","C#CCCCC",null,null,2,0,2,"NO","NO","Mantain","High Reliability","2314, 2635, 2752","Checked on ChemID, Checked on PubChem"]
[4433,null,"TETRACHLOROBIPHENYL","26914-33-0","Clc1c(c(c(c(c1)-c2ccccc2)Cl)Cl)Cl",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4434,null,"ISOOCTYL ALCOHOL","26952-21-6","CC(C)CCCCCO",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[4435,null,"DICHLOROPROPENE","26952-23-8","CC=C(Cl)Cl",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4436,null,"butanoicacid,1,2-ethanediylbis(oxy-2,1-ethaned","26962-26-5",null,"CCCC(=O)OCCOCCOCCOC(=O)CCC",null,"CCCC(=O)OCCOCCOCCOC(=O)CCC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4437,986,"3-Pyridinecarboxamide, N-[(phenylamino)carbonyl]","26972-01-0","O=C(NC(=O)c1cnccc1)Nc2ccccc2",null,"OC(=Nc1ccccc1)N=C(O)c2cnccc2","OC(=Nc1ccccc1)N=C(O)c2cnccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4438,null,"1h-purine-2,6-dione,3,9-dihydro-1,3,8,9-tetrame","27038-96-6",null,"Cc1n(c2c(n1)c(=O)n(C)c(=O)n2C)C",null,"Cc1n(c2c(n1)c(=O)n(C)c(=O)n2C)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4439,null,"DIPROPYLENE GLYCOL, DIBENZOATE","27138-31-4","CC(O)COC(C)CO","O=C(OCCCOCCCOC(=O)c1ccccc1)c2ccccc2","CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c2ccccc2","CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c2ccccc2",2,2,0,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4440,580,"BENZENAMINE, 2-[(4-AMINOPHENYL)SULFONYL]-","27147-69-9","Nc1ccc(cc1)S(=O)(=O)c2c(cccc2)N",null,"Nc1ccc(cc1)S(=O)(=O)c2c(cccc2)N","Nc1ccc(cc1)S(=O)(=O)c2c(cccc2)N",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4441,null,"HEXACHLOROCYCLOHEXANE","27154-44-5","ClC1(C(C(CCC1)(Cl)Cl)(Cl)Cl)Cl","ClC1C(C(C(C(C1)(Cl)Cl)Cl)Cl)Cl",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4442,1876,"Diisodecyl adipate","27178-16-1","CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C","CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4443,null,"TETRADECANOL","27196-00-5","CCCCCCCCCCCCCCO","CCCCCCCCCCC(O)CCC",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4444,942,"NORFLURAZON","27314-13-2","CNc1c(c(n(nc1)-c2cc(ccc2)C(F)(F)F)=O)Cl","CNc1c(c(n(nc1)-c2cc(ccc2)C(F)(F)F)=O)Cl","CNc1c(c(n(nc1)-c2cc(ccc2)C(F)(F)F)=O)Cl","CNc1c(c(n(nc1)-c2cc(ccc2)C(F)(F)F)=O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4445,null,"Glycerol-.alpha.-nitrate","27321-61-5",null,"O=[N+]([O-])OCC(O)CO",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4446,3850,"tetrachlorophthalide","27355-22-2","O=C1c2c(C(O1)(Cl)Cl)c(c(cc2)Cl)Cl","O=C1c2c(CO1)c(Cl)c(Cl)c(Cl)c2Cl","O=C1c2c(CO1)c(Cl)c(Cl)c(Cl)c2Cl","O=C1c2c(CO1)c(Cl)c(Cl)c(Cl)c2Cl",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[4447,359,"Ethychlozate","27512-72-7","CCOC(=O)Cc1c2c(n[nH]1)ccc(Cl)c2","CCOC(=O)Cc1c2c(n[nH]1)ccc(Cl)c2","CCOC(=O)Cc1c2c(n[nH]1)ccc(Cl)c2","CCOC(=O)Cc1c2c(n[nH]1)ccc(Cl)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4448,833,"Quinonamid","27541-88-4","O=C1c2c(C(C(=C1Cl)NC(=O)C(Cl)Cl)=O)cccc2","O=C1c2c(C(C(=C1Cl)NC(=O)C(Cl)Cl)=O)cccc2","O=C1c2c(C(C(=C1Cl)NC(=O)C(Cl)Cl)=O)cccc2","O=C1c2c(C(C(=C1Cl)NC(=O)C(Cl)Cl)=O)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4449,1849,"DIISOOCTYL PHTHALATE","27554-26-3","CC(C)CCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC(C)C","CC(C)CCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC(C)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4450,3863,"1,2-BENZENEDICARBOXYLIC ACID, 3-CHLORO-","27563-65-1","O=C(O)c1c(c(ccc1)Cl)C(=O)O","O=C(O)c1c(c(ccc1)Cl)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4451,337,"Probenazole","27605-76-1","C=CCOC=1c2c(S(N1)(=O)=O)cccc2","C=CCOC=1c2c(S(N1)(=O)=O)cccc2","C=CCOC=1c2c(S(N1)(=O)=O)cccc2","C=CCOC=1c2c(S(N1)(=O)=O)cccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4452,null,"2-BUTANONE, 3-ETHOXY-1,1-DIHYDROXY-; OR KETHOXAL","27762-78-3",null,"CCOC(C)C(=O)C(O)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Illegal Name"]
[4453,726,"1,1'-Biphenyl, Octabromo-","27858-07-7","Brc1c(c(c(cc1)-c2c(c(c(c(c2Br)Br)Br)Br)Br)Br)Br","Brc1c(c(c(cc1)-c2c(c(c(c(c2Br)Br)Br)Br)Br)Br)Br",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on ChemID"]
[4454,4154,"Pentanedioic acid, 2,4-diethyl-","27899-21-4","CCC(CC(CC)C(=O)O)C(=O)O",null,"CCC(CC(CC)C(=O)O)C(=O)O","CCC(CC(CC)C(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4455,null,"3-Pyrazoline-5-thione, 1,3-dimethyl-2-phenyl-","28022-64-2","Cc1n(n(c(c1)=S)C)-c2ccccc2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4456,null,"ISOPROPYL PHENYL DIPHENYL PHOSPHATE","28108-99-8",null,"CC(C)c1c(cccc1)OP(=O)(Oc2ccccc2)Oc3ccccc3","*C(C)C","*C(C)C",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4457,2605,"2H-Purine-2-thione, 1,3-dihydro-","28128-19-0","S=c1[nH]c2-c(c[nH]1)ncn2","S=c1[nH]c2c(cn1)[nH]cn2","Sc1[nH]c2-c(cn1)ncn2","Sc1[nH]c2-c(cn1)ncn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4458,928,"2,6-Dinitro-biphenyl-3-ol","28174-58-5","O=[N+]([O-])c1c(c(c(cc1)O)[N+](=O)[O-])-c2ccccc2",null,"O=[N+]([O-])c1c(c(c(cc1)O)[N+](=O)[O-])-c2ccccc2","O=[N+]([O-])c1c(c(c(cc1)O)[N+](=O)[O-])-c2ccccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4459,90,"Chloromethiuron","28217-97-2","Cc1c(ccc(c1)Cl)NC(=S)N(C)C","Cc1c(ccc(c1)Cl)NC(=S)N(C)C","Cc1c(ccc(c1)Cl)NC(=S)N(C)C","Cc1c(ccc(c1)Cl)NC(=S)N(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4460,636,"THIOBENCARB","28249-77-6","CCN(CC)C(=O)SCc1ccc(cc1)Cl","CCN(CC)C(=O)SCc1ccc(cc1)Cl","CCN(CC)C(=O)SCc1ccc(cc1)Cl","CCN(CC)C(=O)SCc1ccc(cc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4461,2940,"CHLOROTRINITROBENZENE","28260-61-9","O=[N+]([O-])c1c(c(c(cc1)Cl)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1c(c(c(cc1)Cl)[N+](=O)[O-])[N+](=O)[O-]",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4462,913,"2,6-Dichlorodiphenyl ether","28419-69-4",null,"Clc1c(c(ccc1)Cl)Oc2ccccc2","Clc1c(c(ccc1)Cl)Oc2ccccc2","Clc1c(c(ccc1)Cl)Oc2ccccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4463,1794,"BIORESMETHRIN","28434-01-7","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C",4,0,0,"NO","NO","Mantain","High Reliability","3921","Stereochemistry removed"]
[4464,3146,"1,2-Dithiane-3,6-dicarboxylic acid, cis-","28463-60-7","O=C(O)C1SSC(CC1)C(=O)O",null,"O=C(O)C1SSC(CC1)C(=O)O","O=C(O)C1SSC(CC1)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","4547","Stereochemistry removed"]
[4465,2616,"2,4(1H,3H)-Pyrimidinedione, 1-methyl-5-nitro-","28495-88-7","Cn1c([nH]c(c(c1)[N+](=O)[O-])=O)=O",null,"Cn1c([nH]c(c(c1)[N+](=O)[O-])=O)=O","Cn1c([nH]c(c(c1)[N+](=O)[O-])=O)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4466,null,"DIISONONYL PHTHALATE","28553-12-0","CC(C)CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCC(C)C","CC(C)CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCC(C)C","*C","*C",2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[4467,null,"Cyclobutanecarboxylic acid, 3-acetyl-2,2-dimethy","28587-41-9",{"$nulls":3},"CC(=O)C1C(C(C1)C(=O)O)(C)C",1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[4468,null,"Cyclobutanecarboxylic acid, 3-[1-[(aminocarbonyl","28587-42-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4469,2946,"TRIBROMOBENZENE","28779-08-0","Brc1c(c(ccc1)Br)Br","Brc1c(c(ccc1)Br)Br",null,null,2,0,2,"NO","NO","Mantain","High Reliability","2390","Checked on ChemID, Checked on PubChem"]
[4470,null,"1,2,3-Benzenetricarboxylic acid, 5-chloro-","29016-74-8","O=C(O)c1c(c(cc(c1)Cl)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4471,null,"OCTANOL (isomer mix)","29063-28-3",null,"CCCCCC(O)CC",null,null,1,0,3,"NO","NO","Eliminate","-",null,"Mixture"]
[4472,392,"DINITRAMINE","29091-05-2","CCN(CC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]","CCN(CC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]","CCN(CC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]","CCN(CC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4473,1034,"PRODIAMINE","29091-21-2","CCCN(CCC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]","CCCN(CCC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]","CCCN(CCC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]","CCCN(CCC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4474,null,"BENZOXIMATE","29104-30-1","CCN(OC(=O)c1ccccc1)C(=O)c2c(c(ccc2OC)Cl)OC","CCN(OC(=O)c1ccccc1)C(=O)c2c(c(ccc2OC)Cl)OC","CCON=C(OC(=O)c1ccccc1)c2c(c(ccc2OC)Cl)OC","CCON=C(OC(=O)c1ccccc1)c2c(c(ccc2OC)Cl)OC",2,2,0,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4475,1217,"ATENOLOL","29122-68-7","CC(C)NCC(O)COc1ccc(cc1)CC(N)=O","CC(C)NCC(O)COc1ccc(cc1)CC(N)=O","CC(C)NCC(O)COc1ccc(cc1)CC(N)=O","CC(C)NCC(O)COc1ccc(cc1)CC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4476,3244,"Propanediamide, 2,2-diethyl-","29141-71-7","CCC(CC)(C(N)=O)C(N)=O","CCC(CC)(C(N)=O)C(N)=O","CCC(CC)(C(N)=O)C(N)=O","CCC(CC)(C(N)=O)C(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4477,3253,"Mercarphon [ISO]","29173-31-7","COC(=O)N(C)C(=O)CSP(C)(=S)OC","COC(=O)N(C)C(=O)CSP(C)(=S)OC",null,"COC(=O)N(C)C(=O)CSP(C)(=S)OC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4478,476,"PIRIMIPHOS-METHYL","29232-93-7","CCN(CC)c1nc(cc(n1)C)OP(=S)(OC)OC","CCN(CC)c1nc(cc(n1)C)OP(=S)(OC)OC","CCN(CC)c1nc(cc(n1)C)OP(=S)(OC)OC","CCN(CC)c1nc(cc(n1)C)OP(=S)(OC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4479,1009,"ISOPROPYLNAPHTHALENE","29253-36-9","CC(C)c1c2c(ccc1)cccc2","CC(C)c1c2c(ccc1)cccc2",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4480,null,"HEXADECANOL","29354-98-1","CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCC(O)CCC","CCCCCCCCCCCCCCCCO",null,2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[4481,null,"Benzoic acid, 3-brom-4-hydroxy-, methyl ester","29415-97-2",{"$nulls":3},"COC(=O)c1cc(c(cc1)O)Br",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4482,null,"2,3-DICHLORODIBENZO-P-DIOXIN","29446-15-9","Clc1c(cc2c(c1)Oc3c(O2)cccc3)Cl","O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F","Clc1c(cc2c(c1)Oc3c(O2)cccc3)Cl","Clc1c(cc2c(c1)Oc3c(O2)cccc3)Cl",3,1,0,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[4483,null,"L-Alanine, 3-(phenyldithio)-","29475-97-6","NC(CSSc1ccccc1)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[4484,null,"2-Naphthalenesulfonic acid, 1-[(2-hydroxy-1-naph","29482-83-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4485,null,"1-Naphthalenecarboxamide, N-hydroxy-N-phenyl-","29556-17-0","O=C(c1c2c(ccc1)cccc2)N(O)c3ccccc3",null,"O=C(c1c2c(ccc1)cccc2)N(O)c3ccccc3",null,2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[4486,1472,"Benzamide, N-hydroxy-N-1-naphthalenyl-","29556-18-1","O=C(c1ccccc1)N(O)c2c3c(ccc2)cccc3",null,"O=C(c1ccccc1)N(O)c2c3c(ccc2)cccc3","O=C(c1ccccc1)N(O)c2c3c(ccc2)cccc3",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4487,1095,"Benzamide, 3,5-dinitro-N-phenyl-N-hydroxy-","29556-22-7","O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N(O)c2ccccc2",null,null,"O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N(O)c2ccccc2",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[4488,null,"Isovaline, N-formyl-, DL-","29588-10-1","CCC(C)(NC=O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4489,2106,"Acetic acid, [(aminothioxomethyl)thio]-","29596-83-6","NC(=S)SCC(=O)O",null,"NC(=S)SCC(=O)O","NC(=S)SCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4490,null,"glycine,n-(dithiocarboxy)-,n-esterwithmercap","29677-65-4",null,"O=C(O)CNC(=S)SCC(=O)O",null,"O=C(O)CNC(=S)SCC(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4491,593,"Benzamide, N-[2-(1H-imidazol-4-yl)ethyl]-","29677-71-2","O=C(NCCc1nc[nH]c1)c2ccccc2",null,"OC(=NCCc1[nH]cnc1)c2ccccc2","OC(=NCCc1[nH]cnc1)c2ccccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4492,null,"ISODECYL DIPHENYL PHOSPHATE","29761-21-5","CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2","CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2","*C","*C",2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[4493,4207,"2-Propanol, 1-(1-methyl-2-propoxyethoxy)-","29911-27-1","CCCOCC(C)OCC(C)O","CCCOCC(C)OCC(C)O","CCCOCC(C)OCC(C)O","CCCOCC(C)OCC(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4494,242,"2-Propanol, 1-(2-butoxy-1-methylethoxy)-","29911-28-2","CCCCOCC(C)OCC(C)O","CCCCOCC(C)OCC(C)O","CCCCOCC(C)OCC(C)O","CCCCOCC(C)OCC(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4495,null,"1,3,5-Triazine-2,4-diamine, N,N-diethyl-","29919-17-3","CCN(CC)c1nc(ncn1)N",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4496,436,"ETHIOFENCARB","29973-13-5","CCSCc1c(cccc1)OC(=O)NC","CCSCc1c(cccc1)OC(=O)NC","CCSCc1c(cccc1)OC(=O)NC","CCSCc1c(cccc1)OC(=O)NC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4497,null,"1,2:3,4-DIEPOXYBUTANE (2S,3S)","30031-64-2",null,"C1C(O1)C2OC2",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[4498,3203,"Ethidimuron","30043-49-3","CCS(=O)(=O)c1sc(nn1)N(C)C(=O)NC","CCS(=O)(=O)c1sc(nn1)N(C)C(=O)NC","CCS(=O)(=O)c1sc(nn1)N(C)C(=O)NC","CCS(=O)(=O)c1sc(nn1)N(C)C(=O)NC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4499,null,"Ethane, 1-bromo-2-(ethylsulfonyl)-","30129-83-0","CCS(=O)(=O)CCBr",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[4500,null,"D-Mannitol, 1,2,3,5,6-pentanitrate","30236-28-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4501,null,"propanoicacid,2-(2,4,5-trichlorophenoxy)-,(r)","30365-50-5",null,"CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O",null,"CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[4502,2690,"1,3,5-Triazine-2,4-diamine, N-ethyl-","30368-49-1","CCNc1nc(ncn1)N","CCNc1nc(ncn1)N",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[4503,2691,"1,3,5-Triazine-2,4-diamine, N,N'-dimethyl-","30368-50-4","CNc1nc(ncn1)NC","CNc1nc(ncn1)NC",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[4504,2810,"2-FURANOL, 5-ETHYLTETRAHYDRO-","30414-44-9","CCC1OC(CC1)O",null,"CCC1OC(CC1)O","CCC1OC(CC1)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4505,null,"1,2:3,4-DIEPOXYBUTANE (2R,3R)","30419-67-1",null,"C1C(O1)C2OC2",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[4506,4149,"1,6-DIOXASPIRO[4,4]NONANE, 2,7-DIMETHYL-","30483-86-4","CC1OC2(CC1)OC(CC2)C",null,null,"CC1OC2(CC1)OC(CC2)C",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[4507,93,"THYMIDINE, 3'-AZIDO-3'-DEOXY-","30516-87-1","Cc1c([nH]c(n(c1)C2OC(C(C2)N=[N+]=[N-])CO)=O)=O","Cc1c([nH]c(n(c1)C2OC(C(C2)N=[N+]=[N-])CO)=O)=O","Cc1c([nH]c(n(c1)C2OC(C(C2)N=[N+]=[N-])CO)=O)=O","Cc1c([nH]c(n(c1)C2OC(C(C2)N=[N+]=[N-])CO)=O)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4508,1551,"Etofenamate","30544-47-9","O=C(OCCOCCO)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F","O=C(OCCOCCO)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F","O=C(OCCOCCO)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F","O=C(OCCOCCO)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4509,2223,"ACEPHATE","30560-19-1","COP(=O)(NC(C)=O)SC","COP(=O)(NC(C)=O)SC","COP(=O)(NC(C)=O)SC","COP(=O)(NC(C)=O)SC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4510,3470,"Pteridine, 4-methoxy-","30564-38-6","COc1c2c(ncn1)nccn2",null,"COc1c2c(ncn1)nccn2","COc1c2c(ncn1)nccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4511,null,"ZOLONE","30725-71-4","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2","CCOP(=S)(OCC)SCn1c2c(oc1=O)cccc2","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]",null,0,3,1,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4512,768,"1,2,3,4-TETRACHLORODIBENZO-P-DIOXIN","30746-58-8","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)cccc3)Cl","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)cccc3)Cl","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)cccc3)Cl","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)cccc3)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4513,1464,"BENZO(A)FLUORENE","30777-18-5","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4",null,3,0,1,"NO","NO","Mantain","Medium Reliability","1667"]
[4514,1463,"BENZO(B)FLUORENE","30777-19-6","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3",null,3,0,1,"NO","NO","Mantain","Medium Reliability","1669"]
[4515,3238,"Methacrifos [BSI:ISO]","30864-28-9","COC(=O)C(C)=COP(=S)(OC)OC","COC(=O)C(C)=COP(=S)(OC)OC",null,null,2,0,2,"NO","NO","Mantain","High Reliability","5015","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[4516,457,"Cafaminol","30924-31-3","CN(CCO)c1n(c2c(n1)n(c(n(c2=O)C)=O)C)C","CN(CCO)c1n(c2c(n1)n(c(n(c2=O)C)=O)C)C","CN(CCO)c1n(c2c(n1)n(c(n(c2=O)C)=O)C)C","CN(CCO)c1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4517,null,"Butanedioic acid, 2-hydroxy-2-phenyl-","30952-65-9","O=C(O)CC(O)(C(=O)O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4518,3737,"Isocarbamid","30979-48-7","CC(C)CNC(=O)N1C(NCC1)=O","CC(C)CNC(=O)N1C(NCC1)=O","CC(C)CNC(=O)N1C(NCC1)=O","CC(C)CNC(=O)N1C(NCC1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4519,3119,"3(2H)-Thiazoleacetic acid, 4-methyl-2-thioxo-","31090-12-7","Cc1n(c(sc1)=S)CC(=O)O",null,"Cc1n(c(sc1)=S)CC(=O)O","Cc1n(c(sc1)=S)CC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4520,1564,"METRIZAMIDE","31112-62-6","CC(=O)Nc1c(c(c(c(c1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(C)=O)I","CC(=O)Nc1c(c(c(c(c1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(C)=O)I","CC(=O)Nc1c(c(c(c(c1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(C)=O)I","CC(=O)Nc1c(c(c(c(c1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(C)=O)I",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4521,220,"PROPETAMPHOS","31218-83-4","CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C","CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C","CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C","CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4522,null,"1-Butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-pi","31293-71-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4523,null,"Ethane, [(iodomethyl)sulfonyl]-","31355-01-8","CCS(=O)(=O)CI",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4524,3804,"3-Methyl-2-heptanol","31367-46-1","CCCCC(C)C(C)O","CCCCC(C)C(C)O","CCCCC(C)C(C)O","CCCCC(C)C(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4525,1399,"MEBENDAZOLE","31431-39-7","COC(=O)Nc1[nH]c2c(n1)ccc(C(=O)c3ccccc3)c2","COC(=O)Nc1[nH]c2c(n1)ccc(C(=O)c3ccccc3)c2","COC(=O)Nc1[nH]c2c(n1)cc(C(=O)c3ccccc3)cc2","COC(=O)Nc1[nH]c2c(n1)cc(C(=O)c3ccccc3)cc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4526,null,"2',3,4,4',5'-pcb","31508-00-6",null,"Clc1c(cc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",null,"Clc1c(cc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4527,1728,"BENZO[a]PYRENE, 5-METHYL-","31647-36-6","Cc1c2cc3c(c4ccc5cccc(c1)c5c42)cccc3","Cc1c2cc3c(c4ccc5cccc(c1)c5c42)cccc3","Cc1c2cc3c(c4ccc5cccc(c1)c5c42)cccc3","Cc1c2cc3c(c4ccc5cccc(c1)c5c42)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4528,1069,"Lyral","31906-04-4","CC(C)(O)CCCC=1CCC(CC1)C=O","CC(C)(O)CCCC=1CCC(CC1)C=O",null,"CC(C)(O)CCCC=1CCC(CC1)C=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4529,null,"HEPTACHLORONAPHTHALENE","32241-08-0","Clc1c(c(c2c(c1)c(Cl)c(Cl)c(Cl)c2Cl)Cl)Cl","Clc1c(c2c(c(c1)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4530,2327,"DIVICINE","32267-39-3","NC=1NC(C(C(N1)N)=O)=O","NC=1NC(C(C(N1)N)=O)=O","N=c1[nH]c(c(c(n1)O)O)N","N=c1[nH]c(c(c(n1)O)O)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4531,2703,"2-Furoic acid, 3,4,5-trichloro-","32417-81-5","O=C(O)c1c(c(c(o1)Cl)Cl)Cl",null,"O=C(O)c1c(c(c(o1)Cl)Cl)Cl","O=C(O)c1c(c(c(o1)Cl)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4532,1593,"9-Octadecenoic acid, 12-(sulfooxy)-, (Z)-","32430-00-5","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O",null,"CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[4533,null,"4-quinolinecarboxylicacid,1,2-dihydro-6-methox","32431-29-1",null,"COc1cc2c(cc1)[nH]c(=O)cc2C(=O)O",null,"COc1cc2c(cc1)[nH]c(=O)cc2C(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4534,null,"D-Glucuronic acid, .gamma.-lactone","32449-92-6","O=CC(O)C1C(C(C(O1)=O)O)O","O=CC(O)C1C(C(C(O1)=O)O)O","O=C1C(C2C(O1)C(O)C(O)O2)O","O=C1C(C2C(O1)C(O)C(O)O2)O",2,2,0,"YES","NO","Eliminate","-",null,"Stereochemistry removed, Missing/ambiguous"]
[4535,2584,"2-Furancarboxylic acid, 3,4-dibromo-","32460-04-1","O=C(O)c1c(c(co1)Br)Br",null,"O=C(O)c1c(c(co1)Br)Br","O=C(O)c1c(c(co1)Br)Br",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4536,2314,"2(3H)-Thiazolone, 4-methyl-","32497-10-2","Cc1[nH]c(sc1)=O","Cc1[nH]c(sc1)=O","Cc1[nH]c(sc1)=O","Cc1[nH]c(sc1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4537,2402,"Succinamic acid, 3-amino-2-hydroxy-","32503-98-3","NC(=O)C(N)C(O)C(=O)O",null,"N=C(O)C(N)C(O)C(=O)O","N=C(O)C(N)C(O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4538,3155,"2(1H)-Pyrimidinone, 4-amino-5-ethyl-","32550-24-6","CCc1c(nc([nH]c1)=O)N",null,"CCc1c([nH]c(nc1)O)=N","CCc1c([nH]c(nc1)O)=N",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4539,843,"2,3',4,4'-TETRACHLOROBIPHENYL","32598-10-0","Clc1cc(c(cc1)-c2cc(c(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2cc(c(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2cc(c(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2cc(c(cc2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4540,844,"2,3',4',5-TETRACHLOROBIPHENYL","32598-11-1","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4541,849,"2,4,4',6-Tetrachlorobiphenyl","32598-12-2","Clc1ccc(cc1)-c2c(cc(cc2Cl)Cl)Cl","Clc1ccc(cc1)-c2c(cc(cc2Cl)Cl)Cl","Clc1ccc(cc1)-c2c(cc(cc2Cl)Cl)Cl","Clc1ccc(cc1)-c2c(cc(cc2Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4542,856,"3,3',4,4'-TETRACHLOROBIPHENYL","32598-13-3","Clc1c(cc(cc1)-c2cc(c(cc2)Cl)Cl)Cl","Clc1c(cc(cc1)-c2cc(c(cc2)Cl)Cl)Cl","Clc1c(cc(cc1)-c2cc(c(cc2)Cl)Cl)Cl","Clc1c(cc(cc1)-c2cc(c(cc2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4543,826,"2,3,3',4,4'-PENTACHLORO-1,1'-BIPHENYL","32598-14-4","Clc1c(cc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4544,null,"BENZOIC ACID, 2-(ACETYLOXY)-, (ACETYLOXY)METHYL","32620-68-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4545,null,"BENZOIC ACID, 2-(ACETYLOXY)-, (2,5-DIOXO-1-PYRRO","32620-72-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4546,850,"2,4,4',5-TETRACHLOROBIPHENYL","32690-93-0","Clc1ccc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4547,3146,"1,2-Dithiane-3,6-dicarboxylic acid, trans-","32737-66-9","O=C(O)C1SSC(CC1)C(=O)O",null,"O=C(O)C1SSC(CC1)C(=O)O","O=C(O)C1SSC(CC1)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","4464","Stereochemistry removed"]
[4548,null,"…-D-Glucofuranose, 1,2-O-(1-methylethylidene)-,","32754-29-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4549,null,"3,3',4,4',5,5'-pcb","32774-16-6",null,"Clc1c(c(cc(c1)-c2cc(c(c(c2)Cl)Cl)Cl)Cl)Cl",null,"Clc1c(c(cc(c1)-c2cc(c(c(c2)Cl)Cl)Cl)Cl)Cl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4550,980,"PROCYMIDONE","32809-16-8","CC12C(C1)(C)C(=O)N(c3cc(cc(c3)Cl)Cl)C2=O","CC12C(C1)(C)C(=O)N(c3cc(cc(c3)Cl)Cl)C2=O","CC12C(C1)(C)C(=O)N(c3cc(cc(c3)Cl)Cl)C2=O","CC12C(C1)(C)C(=O)N(c3cc(cc(c3)Cl)Cl)C2=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4551,1088,"CHLOMETHOXYNIL","32861-85-1","COc1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]","COc1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]",null,"COc1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4552,4243,"M-BROMOCINNAMIC ACID","32862-97-8","O=C(O)C=Cc1cc(ccc1)Br","O=C(O)C=Cc1cc(ccc1)Br","O=C(O)C=Cc1cc(ccc1)Br","O=C(O)C=Cc1cc(ccc1)Br",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4553,851,"2,3,4,4'-PCB","33025-41-1",null,"Clc1ccc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4554,1643,"AMITRAZ","33089-61-1","Cc1cc(c(cc1)N=CN(C)C=Nc2c(cc(cc2)C)C)C","Cc1cc(c(cc1)N=CN(C)C=Nc2c(cc(cc2)C)C)C","Cc1cc(c(cc1)N=CN(C)C=Nc2c(cc(cc2)C)C)C","Cc1cc(c(cc1)N=CN(C)C=Nc2c(cc(cc2)C)C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4555,732,"1,1'-Biphenyl, 2,2',3,3',4,4',6,6'-octachloro-","33091-17-7","Clc1c(c(c(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4556,96,"2-ethylacetanilide","33098-65-6","CCCC(=O)Nc1ccccc1","CCc1c(cccc1)NC(C)=O","CCc1c(cccc1)NC(C)=O","CCc1c(cccc1)NC(C)=O",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[4557,905,"2,6-DICHLOROBIPHENYL","33146-45-1","Clc1c(c(ccc1)Cl)-c2ccccc2","Clc1c(c(ccc1)Cl)-c2ccccc2","Clc1c(c(ccc1)Cl)-c2ccccc2","Clc1c(c(ccc1)Cl)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4558,4231,"Endosulfan (beta)","33213-65-9",null,"O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability","1280, 2776","Stereochemistry removed"]
[4559,587,"FLUCHLORALIN","33245-39-5","CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4560,903,"2,4-DICHLOROBIPHENYL","33284-50-3","Clc1cc(c(cc1)-c2ccccc2)Cl","Clc1cc(c(cc1)-c2ccccc2)Cl","Clc1cc(c(cc1)-c2ccccc2)Cl","Clc1cc(c(cc1)-c2ccccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4561,855,"3,3',5,5'-TETRACHLOROBIPHENYL","33284-52-5","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability","3942"]
[4562,null,"2,3,4,5-pcb","33284-53-6",null,"Clc1c(c(c(c(c1)-c2ccccc2)Cl)Cl)Cl",null,"Clc1c(c(c(c(c1)-c2ccccc2)Cl)Cl)Cl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4563,854,"2,3,5,6-TETRACHLOROBIPHENYL","33284-54-7","Clc1c(c(c(c(c1)Cl)Cl)-c2ccccc2)Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2ccccc2)Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2ccccc2)Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2ccccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4564,null,"BARBITURIC ACID, 5-ET,5-PR","33376-25-9",{"$nulls":3},"CCCC1(C(NC(NC1=O)=O)=O)CC",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4565,766,"1,3,6,8-TETRACHLORODIBENZO-P-DIOXIN","33423-92-6","Clc1cc2c(c(c1)Cl)Oc3c(O2)c(Cl)cc(Cl)c3","Clc1cc2c(c(c1)Cl)Oc3c(O2)c(Cl)cc(Cl)c3",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4566,null,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpro","33492-49-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4567,3748,"DL-Alloisoleucine, N-acetyl-","33601-90-0","CCC(C)C(NC(C)=O)C(=O)O","CCC(C)C(NC(C)=O)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","4238, 4895, 4252","Checked on PubChem"]
[4568,1208,"BUTRALIN","33629-47-9","CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]","CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]","CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]","CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4569,207,"TERBUMETON","33693-04-8","CCNc1nc(nc(n1)NC(C)(C)C)OC","CCNc1nc(nc(n1)NC(C)(C)C)OC","CCNc1nc(nc(n1)NC(C)(C)C)OC","CCNc1nc(nc(n1)NC(C)(C)C)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4570,3974,"Ethanone, 1-(3,4,5-trihydroxyphenyl)-","33709-29-4","CC(=O)c1cc(c(c(c1)O)O)O","CC(=O)c1cc(c(c(c1)O)O)O","CC(=O)c1cc(c(c(c1)O)O)O","CC(=O)c1cc(c(c(c1)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4571,null,"3H-Naphtho[2,1-b]pyran-1-acetic acid, 3-oxo-","33739-01-4","O=C(O)Cc1c2c(oc(c1)=O)ccc3c2cccc3",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4572,1363,"ISOPROPALIN","33820-53-0","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4573,830,"2,7-DICHLORODIBENZO-P-DIOXIN","33857-26-0","Clc1cc2c(cc1)Oc3c(O2)ccc(Cl)c3","Clc1cc2c(cc1)Oc3c(O2)ccc(Cl)c3","Clc1cc2c(cc1)Oc3c(O2)ccc(Cl)c3","Clc1cc2c(cc1)Oc3c(O2)ccc(Cl)c3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4574,591,"PHOSPHOROHYDRAZIDIC ACID, DIPHENYL ESTER","33862-44-1","NNP(=O)(Oc1ccccc1)Oc2ccccc2","NNP(=O)(Oc1ccccc1)Oc2ccccc2","NNP(=O)(Oc1ccccc1)Oc2ccccc2","NNP(=O)(Oc1ccccc1)Oc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4575,776,"2,2',4,4',6,6'-PCB","33979-03-2",null,"Clc1cc(c(c(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4576,4148,"TEBUTHIURON","34014-18-1","CNC(=O)N(C)c1sc(nn1)C(C)(C)C","CNC(=O)N(C)c1sc(nn1)C(C)(C)C","CNC(=O)N(C)c1sc(nn1)C(C)(C)C","CNC(=O)N(C)c1sc(nn1)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4577,4051,"Methyl phenylsulfonyl acetate","34097-60-4",null,"COC(=O)CS(=O)(=O)c1ccccc1",null,null,1,0,3,"NO","NO","Mantain","Medium Reliability","","Checked on ChemID, Checked on PubChem"]
[4578,2764,"L-Alanine, N-[(ethylthio)thioxomethyl]-","34101-08-1","CCSC(=S)NC(C)C(=O)O",null,"CCSC(=S)NC(C)C(=O)O","CCSC(=S)NC(C)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[4579,670,"ISOPROTURON","34123-59-6","CC(C)c1ccc(cc1)NC(=O)N(C)C","CC(C)c1ccc(cc1)NC(=O)N(C)C","CC(C)c1ccc(cc1)NC(=O)N(C)C","CC(C)c1ccc(cc1)NC(=O)N(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4580,4226,"1,2,3-Benzenetricarboxylic acid, 5-bromo-","34163-34-3","O=C(O)c1c(c(cc(c1)Br)C(=O)O)C(=O)O",null,"O=C(O)c1c(c(cc(c1)Br)C(=O)O)C(=O)O","O=C(O)c1c(c(cc(c1)Br)C(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4581,null,"Xylose, methyl hemiacetal, pentaacetate, (1R)-D-","34168-73-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4582,1495,"1,1-BIS(P-MEO-PH)-2-NITROPROPANE","34197-26-7",null,"COc1ccc(cc1)C(c2ccc(cc2)OC)C(C)[N+](=O)[O-]","COc1ccc(cc1)C(c2ccc(cc2)OC)C(C)[N+](=O)[O-]","COc1ccc(cc1)C(c2ccc(cc2)OC)C(C)[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4583,1344,"DIMEFURON","34205-21-5","CN(C)C(=O)Nc1cc(c(cc1)-n2c(oc(n2)C(C)(C)C)=O)Cl","CN(C)C(=O)Nc1cc(c(cc1)-n2c(oc(n2)C(C)(C)C)=O)Cl","CN(C)C(O)=Nc1cc(c(cc1)-n2c(oc(n2)C(C)(C)C)=O)Cl","CN(C)C(O)=Nc1cc(c(cc1)-n2c(oc(n2)C(C)(C)C)=O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4584,1200,"ACETOCHLOR","34256-82-1","CCOCN(C(=O)CCl)c1c(cccc1C)CC","CCOCN(C(=O)CCl)c1c(cccc1C)CC","CCOCN(C(=O)CCl)c1c(cccc1C)CC","CCOCN(C(=O)CCl)c1c(cccc1C)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4585,null,"CUMYLPHENYL DIPHENYL PHOSPHATE","34364-42-6","CC(C)(c1ccccc1)c2c(cccc2)OP(=O)(Oc3ccccc3)Oc4ccccc4","CC(C)c1cc(cc(c1)OP(=O)(Oc2ccccc2)Oc3ccccc3)-c4ccccc4",null,null,0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4586,null,"N1-(6-CL-3-PYRIDYL)SULFANILAMIDE","34392-82-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4587,null,"2-propenoicacid,7-bromo-5-chloro-8-quinolinyl","34462-96-9",null,"C=CC(=O)Oc1c2c(c(cc1Br)Cl)cccn2",null,"C=CC(=O)Oc1c2c(c(cc1Br)Cl)cccn2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4588,null,"HEXACHLORODIBENZO-P-DIOXIN","34465-46-8","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4589,null,"n-BUTYL MERCURY CYANIDE","34472-57-6","CCCC[Hg]C#N",{"$nulls":3},1,0,3,"NO","NO","Eliminate","-",null,"Unusual elements"]
[4590,null,"GLYPHOSATE-SODIUM","34494-03-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4591,null,"DIPROPYLENE GLYCOL METHYL ETHER","34590-94-8","COC(C)COC(C)CO","COC(C)COC(C)CO",null,null,2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[4592,637,"ORBENCARB","34622-58-7","CCN(CC)C(=O)SCc1c(cccc1)Cl","CCN(CC)C(=O)SCc1c(cccc1)Cl","CCN(CC)C(=O)SCc1c(cccc1)Cl","CCN(CC)C(=O)SCc1c(cccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4593,425,"PROTHIOPHOS","34643-46-4","CCCSP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl","CCCSP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl","CCCSP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl","CCCSP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4594,3245,"Butocarboxim","34681-10-2","CNC(=O)ON=C(C)C(C)SC","CNC(=O)ON=C(C)C(C)SC","CNC(=O)ON=C(C)C(C)SC","CNC(=O)ON=C(C)C(C)SC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4595,3250,"Butoxycarboxim","34681-23-7","CNC(=O)ON=C(C)C(C)S(C)(=O)=O","CNC(=O)ON=C(C)C(C)S(C)(=O)=O","CNC(=O)ON=C(C)C(C)S(C)(=O)=O","CNC(=O)ON=C(C)C(C)S(C)(=O)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4596,null,"HEPTENOPHOS","34783-40-9","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2","COP(=O)(OC)OC=1C2C(CC1Cl)C=C2","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2",null,2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[4597,null,"Heptanedioic acid, 2,6-diethyl-","34833-00-6","CCC(CCCC(CC)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4598,null,"Butanedioic acid, 2-methyl-3-(1-methylethyl)-","34861-84-2","CC(C)C(C(=O)O)C(C)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4599,null,"3,4-Heptanediol, 3-ethyl-6-methyl-","34866-32-5","CCC(O)(CC)C(O)CC(C)C",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4600,904,"2,5-DICHLOROBIPHENYL","34883-39-1","Clc1cc(c(cc1)Cl)-c2ccccc2","Clc1cc(c(cc1)Cl)-c2ccccc2","Clc1cc(c(cc1)Cl)-c2ccccc2","Clc1cc(c(cc1)Cl)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4601,906,"2,4'-DICHLOROBIPHENYL","34883-43-7","Clc1ccc(cc1)-c2c(cccc2)Cl","Clc1ccc(cc1)-c2c(cccc2)Cl","Clc1ccc(cc1)-c2c(cccc2)Cl","Clc1ccc(cc1)-c2c(cccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4602,null,"Propanoic acid, 2-hydroxy-2-methyl-, 1-methyleth","34900-10-2",{"$nulls":3},"CC(C)OC(=O)C(C)(C)O",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4603,null,"aceticacid,2,2',2''-[methylidynetris(thio)]tri","34914-39-1",null,"O=C(O)CSC(SCC(=O)O)SCC(=O)O",null,"O=C(O)CSC(SCC(=O)O)SCC(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4604,793,"2,4,5,2',4',5'-HEXACHLOROBIPHENYL","35065-27-1","Clc1c(cc(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4605,789,"2,2',3,4,4',5'-HEXACHLOROBIPHENYL","35065-28-2","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4606,761,"2,2',3,4,4',5,5'-HEPTACHLOROBIPHENYL","35065-29-3","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4607,760,"2,2',3,3',4,4',5-HEPTACHLOROBIPHENYL","35065-30-6","Clc1c(c(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4608,4014,"DL-Alanine, N-(2-chlorophenyl)-","35224-54-5","CC(Nc1c(cccc1)Cl)C(=O)O",null,null,"CC(Nc1c(cccc1)Cl)C(=O)O",2,0,2,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed, Checked on PubChem"]
[4609,1364,"Tebutam","35256-85-0","CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C","CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C","CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C","CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4610,402,"Butanoic acid, 4-(benzoylamino)-","35340-63-7","O=C(O)CCCNC(=O)c1ccccc1","O=C(O)CCCNC(=O)c1ccccc1","O=C(O)CCCNC(=O)c1ccccc1","O=C(O)CCCNC(=O)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4611,1258,"DIFLUBENZURON","35367-38-5","O=C(NC(=O)c1c(cccc1F)F)Nc2ccc(cc2)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2ccc(cc2)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2ccc(cc2)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2ccc(cc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4612,3729,"Butanedioic acid, 2,3-diethyl-, (R*,S*)-","35392-80-4","CCC(C(=O)O)C(CC)C(=O)O","CCC(C(=O)O)C(CC)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[4613,678,"SULPROFOS","35400-43-2","CCCSP(=S)(OCC)Oc1ccc(cc1)SC","CCCSP(=S)(OCC)Oc1ccc(cc1)SC","CCCSP(=S)(OCC)Oc1ccc(cc1)SC",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4614,3910,"Benzoic acid, 5-chloro-2-hydroxy-4-methyl-","35458-35-6","Cc1c(cc(c(c1)O)C(=O)O)Cl",null,"Cc1c(cc(c(c1)O)C(=O)O)Cl","Cc1c(cc(c(c1)O)C(=O)O)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4615,1145,"IMAZALIL BASE","35554-44-0",null,"C=CCOC(Cn1cncc1)c2c(cc(cc2)Cl)Cl","C=CCOC(Cn1cncc1)c2c(cc(cc2)Cl)Cl","C=CCOC(Cn1cncc1)c2c(cc(cc2)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4616,493,"Bilanafos","35597-43-4","CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O","CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O","CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O","CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4617,878,"2,4,6-TRICHLOROBIPHENYL","35693-92-6","Clc1cc(c(c(c1)Cl)-c2ccccc2)Cl","Clc1cc(c(c(c1)Cl)-c2ccccc2)Cl","Clc1cc(c(c(c1)Cl)-c2ccccc2)Cl","Clc1cc(c(c(c1)Cl)-c2ccccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4618,834,"2,2',5,5'-TETRACHLOROBIPHENYL","35693-99-3","Clc1cc(c(cc1)Cl)-c2c(ccc(c2)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(ccc(c2)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(ccc(c2)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(ccc(c2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4619,null,"2,2',3,4,4'-pcb","35694-06-5",null,"Clc1cc(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",2,1,1,"NO","NO","Manual Check","Verify Name"]
[4620,739,"2,2',3,3',4,4',5,5'-OCTACHLOROBIPHENYL","35694-08-7","Clc1c(c(c(c(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4621,3780,"Pentanoic acid, 3-hydroxy-2,2,4-trimethyl-","35763-45-2","CC(C)C(O)C(C)(C)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Mantain","Medium Reliability","","Checked on ChemID, Checked on PubChem"]
[4622,null,"Benzenepropanoic acid, .alpha.-ethyl-.beta.-hydr","35781-54-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4623,961,"1,2,3,4,6,7,8-HEPTACHLORODIBENZO-P-DIOXIN","35822-46-9","Clc1c(c(c2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl","Clc1c(c(c2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl","Clc1c(c(c2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl","Clc1c(c(c2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4624,null,"PENTACHLORODIBENZO-P-DIOXIN","36088-22-9",null,null,"Clc1c2c(ccc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl",null,1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[4625,1295,"PIROXICAM","36322-90-4","CN1S(c2c(C(C1=C(O)Nc3ncccc3)=O)cccc2)(=O)=O","CN1S(c2c(C(C1=C(O)Nc3ncccc3)=O)cccc2)(=O)=O","CN1S(c2c(C(=C1C(=O)Nc3ncccc3)O)cccc2)(=O)=O","CN1S(c2c(C(=C1C(=O)Nc3ncccc3)O)cccc2)(=O)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4626,1408,"FENBUFEN","36330-85-5","O=C(O)CCC(=O)c1ccc(cc1)-c2ccccc2","O=C(O)CCC(=O)c1ccc(cc1)-c2ccccc2","O=C(O)CCC(=O)c1ccc(cc1)-c2ccccc2","O=C(O)CCC(=O)c1ccc(cc1)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4627,1063,"BUTAMIFOS","36335-67-8","CCOP(=S)(NC(C)CC)Oc1c(ccc(c1)C)[N+](=O)[O-]","CCOP(=S)(NC(C)CC)Oc1c(ccc(c1)C)[N+](=O)[O-]","CCOP(=S)(NC(C)CC)Oc1c(ccc(c1)C)[N+](=O)[O-]","CCOP(=S)(NC(C)CC)Oc1c(ccc(c1)C)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4628,null,"HEXABROMOBIPHENYL","36355-01-8","Brc1c(cccc1)-c2c(c(c(c(c2Br)Br)Br)Br)Br","Brc1c(c(c(cc1)-c2c(c(c(cc2)Br)Br)Br)Br)Br","*Cl","*Cl",0,2,2,"YES","NO","Eliminate","-",null,"Inorganic, Missing/ambiguous"]
[4629,null,"Benzene, 1,1'-oxybis-, hexabromo deriv.","36483-60-0","Brc1cc(c(c(c1)Br)Oc2c(c(cc(c2)Br)Br)Br)Br","Brc1cc(c(c(c1)Br)Oc2c(c(cc(c2)Br)Br)Br)Br",null,"*c1c(*)c(*)c(Oc2c(*)c(*)c(*)c(*)c2*)c(*)c1*",2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[4630,1112,"Phosdiphen","36519-00-3","CCOP(=O)(Oc1c(cc(cc1)Cl)Cl)Oc2c(cc(cc2)Cl)Cl","CCOP(=O)(Oc1c(cc(cc1)Cl)Cl)Oc2c(cc(cc2)Cl)Cl","CCOP(=O)(Oc1c(cc(cc1)Cl)Cl)Oc2c(cc(cc2)Cl)Cl","CCOP(=O)(Oc1c(cc(cc1)Cl)Cl)Oc2c(cc(cc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4631,839,"2,2',3,4'-TETRACHLOROBIPHENYL","36559-22-5","Clc1cc(c(cc1)-c2c(c(ccc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(ccc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(ccc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(ccc2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4632,null,"2-Methyl-3-hexyne","36566-80-0","CCC#CC(C)C",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[4633,3335,"ISOTHIOATE","36614-38-7","COP(=S)(OC)SCCSC(C)C","COP(=S)(OC)SCCSC(C)C","COP(=S)(OC)SCCSC(C)C","COP(=S)(OC)SCCSC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4634,null,"9-OCTADECENOIC ACID, 12-(SULFOOXY)-","36634-48-7","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O",null,"CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O",null,2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on ChemID, Checked on PubChem"]
[4635,1458,"1-HEXADECANOL","36653-82-4","CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCO",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4636,1006,"ROVRAL (IPRODIONE)","36734-19-7",null,"CC(C)NC(=O)N1C(N(C(C1)=O)c2cc(cc(c2)Cl)Cl)=O","CC(C)NC(=O)N1C(N(C(C1)=O)c2cc(cc(c2)Cl)Cl)=O","CC(C)NC(=O)N1C(N(C(C1)=O)c2cc(cc(c2)Cl)Cl)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4637,1452,"TIOCARBAZIL","36756-79-3","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4638,3436,"BENZAMIDE, 2-AMINO-3,5-DICHLORO-","36765-01-2","NC(=O)c1c(c(cc(c1)Cl)Cl)N","NC(=O)c1c(c(cc(c1)Cl)Cl)N",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4639,3699,"RIBAVIRIN","36791-04-5","NC(=O)c1nn(cn1)C2C(C(C(O2)CO)O)O","NC(=O)c1nn(cn1)C2C(C(C(O2)CO)O)O","NC(=O)c1nn(cn1)C2C(C(C(O2)CO)O)O","NC(=O)c1nn(cn1)C2C(C(C(O2)CO)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4640,1649,"LABETALOL","36894-69-6","CC(CCc1ccccc1)NCC(O)c2cc(c(cc2)O)C(N)=O","CC(CCc1ccccc1)NCC(O)c2cc(c(cc2)O)C(N)=O","CC(CCc1ccccc1)NCC(O)c2cc(c(cc2)O)C(N)=O","CC(CCc1ccccc1)NCC(O)c2cc(c(cc2)O)C(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4641,1450,"BENZOIC ACID, 4-AMINO-, NONYL ESTER","37139-21-2","CCCCCCCCCOC(=O)c1ccc(cc1)N",null,"CCCCCCCCCOC(=O)c1ccc(cc1)N","CCCCCCCCCOC(=O)c1ccc(cc1)N",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4642,1722,"Validamycin","37248-47-8","OCC=1C(C(C(C(C1)NC2C(C(C(C(C2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O","OCC=1C(C(C(C(C1)NC2C(C(C(C(C2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O","OCC=1C(C(C(C(C1)NC2C(C(C(C(C2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O","OCC=1C(C(C(C(C1)NC2C(C(C(C(C2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4643,1374,"METOPROLOL","37350-58-6","COCCc1ccc(cc1)OCC(O)CNC(C)C","COCCc1ccc(cc1)OCC(O)CNC(C)C","COCCc1ccc(cc1)OCC(O)CNC(C)C","COCCc1ccc(cc1)OCC(O)CNC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4644,969,"Benzamide, N-hydroxy-2-iodo-N-phenyl-","37433-80-0","O=C(c1c(cccc1)I)N(O)c2ccccc2",null,"O=C(c1c(cccc1)I)N(O)c2ccccc2","O=C(c1c(cccc1)I)N(O)c2ccccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4645,1815,"AMIKACIN","37517-28-5","NCCC(O)C(=O)NC1C(C(C(C(C1)N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O","NCCC(O)C(=O)NC1C(C(C(C(C1)N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O","NCCC(O)C(=O)NC1C(C(C(C(C1)N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O","NCCC(O)C(=O)NC1C(C(C(C(C1)N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4646,59,"DL-Phenylalanine, N-(aminocarbonyl)-","37534-65-9","NC(=O)NC(Cc1ccccc1)C(=O)O","NC(=O)NC(Cc1ccccc1)C(=O)O",null,"NC(=O)NC(Cc1ccccc1)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[4647,3409,"Pyrido[3,2-d]pyrimidin-4(1H)-one","37538-67-3","O=c1c2c([nH]cn1)cccn2",null,"O=c1c2c([nH]cn1)cccn2","O=c1c2c([nH]cn1)cccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4648,871,"2,2',5-TRICHLOROBIPHENYL","37680-65-2","Clc1cc(c(cc1)Cl)-c2c(cccc2)Cl","Clc1cc(c(cc1)Cl)-c2c(cccc2)Cl","Clc1cc(c(cc1)Cl)-c2c(cccc2)Cl","Clc1cc(c(cc1)Cl)-c2c(cccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4649,870,"2,2',4-TRICHLOROBIPHENYL","37680-66-3","Clc1cc(c(cc1)-c2c(cccc2)Cl)Cl","Clc1cc(c(cc1)-c2c(cccc2)Cl)Cl","Clc1cc(c(cc1)-c2c(cccc2)Cl)Cl","Clc1cc(c(cc1)-c2c(cccc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4650,877,"2',3,5-TRICHLOROBIPHENYL","37680-68-5","Clc1cc(cc(c1)Cl)-c2c(cccc2)Cl","Clc1cc(cc(c1)Cl)-c2c(cccc2)Cl","Clc1cc(cc(c1)Cl)-c2c(cccc2)Cl","Clc1cc(cc(c1)Cl)-c2c(cccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4651,804,"2,4,5,2',5'-PENTACHLOROBIPHENYL","37680-73-2","Clc1cc(c(cc1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4652,3666,"ACETAMIDE, 2,2-DICHLORO-N,N-DI-2-PROPENYL-","37764-25-3","C=CCN(CC=C)C(=O)C(Cl)Cl","C=CCN(CC=C)C(=O)C(Cl)Cl","C=CCN(CC=C)C(=O)C(Cl)Cl","C=CCN(CC=C)C(=O)C(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4653,2121,"1-Chloro-2-nitropropane","37809-02-2","CC(CCl)[N+](=O)[O-]","CC(CCl)[N+](=O)[O-]","CC(CCl)[N+](=O)[O-]","CC(CCl)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4654,1238,"1,2-Bis(2,4,6-tribromophenoxy)ethane","37853-59-1","Brc1cc(c(c(c1)Br)OCCOc2c(cc(cc2Br)Br)Br)Br","Brc1cc(c(c(c1)Br)OCCOc2c(cc(cc2Br)Br)Br)Br","Brc1cc(c(c(c1)Br)OCCOc2c(cc(cc2Br)Br)Br)Br","Brc1cc(c(c(c1)Br)OCCOc2c(cc(cc2Br)Br)Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4655,null,"HEPTACHLORODIBENZO-P-DIOXIN","37871-00-4","Clc1c(c(c2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[4656,null,"Etacelasil","37894-46-5","COCCO[Si](CCCl)(OCCOC)OCCOC","COCCO[Si](CCCl)(OCCOC)OCCOC","COCCO[Si](CCCl)(OCCOC)OCCOC","COCCO[Si](CCCl)(OCCOC)OCCOC",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[4657,1122,"PERFLUIDONE","37924-13-3","Cc1c(ccc(c1)S(=O)(=O)c2ccccc2)NS(=O)(=O)C(F)(F)F","Cc1c(ccc(c1)S(=O)(=O)c2ccccc2)NS(=O)(=O)C(F)(F)F","Cc1c(ccc(c1)S(=O)(=O)c2ccccc2)NS(=O)(=O)C(F)(F)F","Cc1c(ccc(c1)S(=O)(=O)c2ccccc2)NS(=O)(=O)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4658,null,"2-Furancarboxylic acid, 5-bromo-, [3-(5-nitro-2-","37962-15-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4659,null,"5-pyrimidinecarboxylicaicd,1,2,3,4-tetrahydro-","38026-46-9",null,"CCOC(=O)c1c([nH]c([nH]c1)=S)=O",null,"CCOC(=O)c1c([nH]c([nH]c1)=S)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4660,null,"D-Cysteine, L-leucyl-, (2.fwdarw.2')-disulfide","38062-65-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4661,486,"D-Glutamine, N2-L-leucyl-","38062-69-0","CC(C)CC(N)C(=O)NC(CCC(N)=O)C(=O)O",null,"CC(C)CC(N)C(O)=NC(CCC(=N)O)C(=O)O","CC(C)CC(N)C(O)=NC(CCC(=N)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[4662,null,"biocozamycin","38129-37-2",null,"C=C1C2(C(NC(OCC1)(C(N2)=O)C(O)C(C)(O)CO)=O)O",null,"C=C1C2(C(NC(OCC1)(C(N2)=O)C(O)C(C)(O)CO)=O)O",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[4663,22,"Acetic acid, (2-bromo-4,6-dimethylphenoxy)-","38206-98-3","Cc1cc(c(c(c1)C)OCC(=O)O)Br",null,null,"Cc1cc(c(c(c1)C)OCC(=O)O)Br",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[4664,176,"ETRIMFOS","38260-54-7","CCOc1nc(nc(c1)OP(=S)(OC)OC)CC","CCOc1nc(nc(c1)OP(=S)(OC)OC)CC","CCOc1nc(nc(c1)OP(=S)(OC)OC)CC","CCOc1nc(nc(c1)OP(=S)(OC)OC)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4665,4136,"MINOXIDIL","38304-91-5","N=c1n(c(cc(n1)N2CCCCC2)N)O","N=c1n(c(cc(n1)N2CCCCC2)N)O","Nc1[n+](c(nc(c1)N2CCCCC2)N)[O-]","Nc1[n+](c(nc(c1)N2CCCCC2)N)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4666,1585,"PENBUTOLOL","38363-40-5","CC(C)(C)NCC(O)COc1c(cccc1)C2CCCC2","CC(C)(C)NCC(O)COc1c(cccc1)C2CCCC2","CC(C)(C)NCC(O)COc1c(cccc1)C2CCCC2","CC(C)(C)NCC(O)COc1c(cccc1)C2CCCC2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4667,802,"2,2',3,5',6-PENTACHLOROBIPHENYL","38379-99-6","Clc1cc(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4668,800,"2,2',4,4',5-PENTACHLOROBIPHENYL","38380-01-7","Clc1cc(c(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4669,806,"2,2',3,4,5'-PENTACHLOROBIPHENYL","38380-02-8","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4670,813,"2,3,3',4',6-PENTACHLOROBIPHENYL","38380-03-9","Clc1c(cc(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4671,780,"2,2',3,4',5',6-PCB","38380-04-0",null,"Clc1c(cc(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4672,787,"2,2',3,3',4,6'-HEXACHLOROBIPHENYL","38380-05-1","Clc1c(c(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4673,792,"2,2',3,3',4,4'-HEXACHLOROBIPHENYL","38380-07-3","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability","3932"]
[4674,790,"2,3,3',4,4',5-HEXACHLOROBIPHENYL","38380-08-4","Clc1c(cc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4675,774,"2,2',3,3',6,6'-HEXACHLOROBIPHENYL","38411-22-2","Clc1c(c(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4676,752,"2,2',3,3',4,5,6'-HEPTACHLOROBIPHENYL","38411-25-5","Clc1c(c(c(c(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4677,876,"2,2',6-TRICHLOROBIPHENYL","38444-73-4","Clc1c(cccc1)-c2c(cccc2Cl)Cl","Clc1c(cccc1)-c2c(cccc2Cl)Cl","Clc1c(cccc1)-c2c(cccc2Cl)Cl","Clc1c(cccc1)-c2c(cccc2Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4678,875,"2,3',6-Trichlorobiphenyl","38444-76-7","Clc1cc(ccc1)-c2c(cccc2Cl)Cl","Clc1cc(ccc1)-c2c(cccc2Cl)Cl","Clc1cc(ccc1)-c2c(cccc2Cl)Cl","Clc1cc(ccc1)-c2c(cccc2Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4679,880,"2,4',6-TRICHLOROBIPHENYL","38444-77-8","Clc1ccc(cc1)-c2c(cccc2Cl)Cl","Clc1ccc(cc1)-c2c(cccc2Cl)Cl","Clc1ccc(cc1)-c2c(cccc2Cl)Cl","Clc1ccc(cc1)-c2c(cccc2Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4680,867,"2,2',3'-TRICHLOROBIPHENYL","38444-78-9","Clc1c(cccc1)-c2c(c(ccc2)Cl)Cl","Clc1c(cccc1)-c2c(c(ccc2)Cl)Cl","Clc1c(cccc1)-c2c(c(ccc2)Cl)Cl","Clc1c(cccc1)-c2c(c(ccc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4681,872,"2,3',5-TRICHLOROBIPHENYL","38444-81-4","Clc1cc(ccc1)-c2c(ccc(c2)Cl)Cl","Clc1cc(ccc1)-c2c(ccc(c2)Cl)Cl","Clc1cc(ccc1)-c2c(ccc(c2)Cl)Cl","Clc1cc(ccc1)-c2c(ccc(c2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4682,879,"2,3,4'-TRICHLOROBIPHENYL","38444-85-8","Clc1ccc(cc1)-c2c(c(ccc2)Cl)Cl","Clc1ccc(cc1)-c2c(c(ccc2)Cl)Cl","Clc1ccc(cc1)-c2c(c(ccc2)Cl)Cl","Clc1ccc(cc1)-c2c(c(ccc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4683,866,"2',3,4-TRICHLOROBIPHENYL","38444-86-9","Clc1c(cc(cc1)-c2c(cccc2)Cl)Cl","Clc1c(cc(cc1)-c2c(cccc2)Cl)Cl","Clc1c(cc(cc1)-c2c(cccc2)Cl)Cl","Clc1c(cc(cc1)-c2c(cccc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4684,865,"3,4,4'-TRICHLOROBIPHENYL","38444-90-5","Clc1ccc(cc1)-c2cc(c(cc2)Cl)Cl","Clc1ccc(cc1)-c2cc(c(cc2)Cl)Cl","Clc1ccc(cc1)-c2cc(c(cc2)Cl)Cl","Clc1ccc(cc1)-c2cc(c(cc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4685,859,"2,2',3,3'-TETRACHLOROBIPHENYL","38444-93-8","Clc1c(c(ccc1)-c2c(c(ccc2)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(ccc2)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(ccc2)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(ccc2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4686,307,"8-Quinolinol, 2-methyl-5-nitro-","38543-66-7","Cc1nc2c(cc1)c([N+](=O)[O-])ccc2O",null,"Cc1nc2c(cc1)c([N+](=O)[O-])ccc2O","Cc1nc2c(cc1)c([N+](=O)[O-])ccc2O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4687,2245,"Ethane, 1,1-bis(methylsulfonyl)-","38564-69-1","CC(S(C)(=O)=O)S(C)(=O)=O","CC(S(C)(=O)=O)S(C)(=O)=O","CC(S(C)(=O)=O)S(C)(=O)=O","CC(S(C)(=O)=O)S(C)(=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4688,null,"5-Pyrimidineacetic acid, 1,2,3,4-tetrahydro-6-me","38580-22-2",{"$nulls":3},"Cc1c(c([nH]c([nH]1)=O)=O)CC(=O)O",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4689,2478,"Alanine, N-(aminocarbonyl)-2-methyl-","38605-63-9","CC(C)(NC(N)=O)C(=O)O",null,"CC(C)(NC(N)=O)C(=O)O","CC(C)(NC(N)=O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4690,null,"2-Propenoic acid, 3-(2-ethoxyphenyl)-, (Z)-","38624-46-3","CCOc1c(cccc1)C=CC(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[4691,null,"DIISOPROPYLNAPHTHALENE","38640-62-9","CC(C)c1c(c2c(cc1)cccc2)C(C)C",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4692,2186,"Glyphosate isopropylamine salt","38641-94-0","O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O",null,3,0,1,"NO","NO","Mantain","Medium Reliability","2811"]
[4693,1442,"ANTOR","38727-55-8","CCOC(=O)CN(C(=O)CCl)c1c(cccc1CC)CC","CCOC(=O)CN(C(=O)CCl)c1c(cccc1CC)CC","CCOC(=O)CN(C(=O)CCl)c1c(cccc1CC)CC","CCOC(=O)CN(C(=O)CCl)c1c(cccc1CC)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4694,2906,"Propane-2-thiosulfinic acid S-isopropyl ester","38739-06-9","CC(C)SS(=O)C(C)C",null,"CC(C)SS(=O)C(C)C","CC(C)SS(=O)C(C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4695,null,"Benzoic acid, 4-(2,4-diaminophenylazo)-, ethyl e","38753-34-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4696,3661,"2-Cyclohexene-1,2-dicarboxylic acid","38765-78-5","O=C(O)C=1C(CCCC1)C(=O)O",null,"O=C(O)C=1C(CCCC1)C(=O)O","O=C(O)C=1C(CCCC1)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4697,null,"Propanoic acid, 2-hydroxy-2-methyl-, pentyl este","38771-96-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4698,1430,"Cephradine","38821-53-3","CC=1CSC2N(C1C(=O)O)C(=O)C2NC(=O)C(N)C=3CC=CCC3","CC=1CSC2N(C1C(=O)O)C(=O)C2NC(=O)C(N)C=3CC=CCC3","CC=1CSC2N(C1C(=O)O)C(=O)C2NC(=O)C(N)C=3CC=CCC3","CC=1CSC2N(C1C(=O)O)C(=O)C2NC(=O)C(N)C=3CC=CCC3",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Differences in counterions"]
[4699,1434,"2,4-Pentanediol, 2-methyl-4-(1-naphthalenyl)-","38836-20-3","CC(C)(O)CC(C)(O)c1c2c(ccc1)cccc2",null,"CC(C)(O)CC(C)(O)c1c2c(ccc1)cccc2","CC(C)(O)CC(C)(O)c1c2c(ccc1)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4700,831,"2,8-DICHLORODIBENZO-P-DIOXIN","38964-22-6","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)cc3","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)cc3",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4701,null,"3,4,5-Trihydroxy-valeric acid-<N-'-phenyl-hydraz","38996-13-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4702,529,"OCTACHLORODIBENZOFURAN","39001-02-0","Clc1c(c2c(c(c1Cl)Cl)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl","Clc1c(c2c(c(c1Cl)Cl)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl","Clc1c(c2c(c(c1Cl)Cl)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl","Clc1c(c2c(c(c1Cl)Cl)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4703,2049,"3-Bromo-2-iodo-acrylic acid","39121-35-2","O=C(O)C(I)=CBr",null,"O=C(O)C(I)=CBr","O=C(O)C(I)=CBr",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4704,null,"Fosetyl-aluminium","39148-24-8","CCOP(=O)=O","CCOP(=O)=O","CCOP(=O)O","CCOP(=O)O",2,2,0,"YES","NO","Eliminate","-",null,"Organometallic, Organic counterion, Missing/ambiguous"]
[4705,4170,"THIOFANOX","39196-18-4","CNC(=O)ON=C(CSC)C(C)(C)C","CNC(=O)ON=C(CSC)C(C)(C)C","CNC(=O)ON=C(CSC)C(C)(C)C","CNC(=O)ON=C(CSC)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4706,727,"1,2,3,4,7,8-HEXACHLORODIBENZO-P-DIOXIN","39227-28-6","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4707,896,"1-CHLORODIBENZO-P-DIOXIN","39227-53-7","Clc1c2c(ccc1)Oc3c(O2)cccc3","Clc1c2c(ccc1)Oc3c(O2)cccc3","Clc1c2c(ccc1)Oc3c(O2)cccc3","Clc1c2c(ccc1)Oc3c(O2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4708,897,"2-CHLORODIBENZO-P-DIOXIN","39227-54-8","Clc1cc2c(cc1)Oc3c(O2)cccc3","Clc1cc2c(cc1)Oc3c(O2)cccc3","Clc1cc2c(cc1)Oc3c(O2)cccc3","Clc1cc2c(cc1)Oc3c(O2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4709,796,"1,2,4-TRICHLORODIBENZO-P-DIOXIN","39227-58-2","Clc1c(c2c(c(c1)Cl)Oc3c(O2)cccc3)Cl","Clc1c(c2c(c(c1)Cl)Oc3c(O2)cccc3)Cl","Clc1c(c2c(c(c1)Cl)Oc3c(O2)cccc3)Cl","Clc1c(c2c(c(c1)Cl)Oc3c(O2)cccc3)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4710,742,"1,2,3,4,7-PENTACHLORODIBENZO-P-DIOXIN","39227-61-7","Clc1cc2c(cc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl","Clc1cc2c(cc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl","Clc1cc2c(cc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl","Clc1cc2c(cc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4711,null,"DINOCAP","39300-45-3","CC=CC(=O)Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(C)(C)CC(C)(C)C",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[4712,803,"2,2',4,4',6-PENTACHLOROBIPHENYL","39485-83-1","Clc1cc(c(cc1)-c2c(cc(cc2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cc(cc2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cc(cc2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cc(cc2Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4713,1840,"CYPHENOTHRIN","39515-40-7","CC(C)=CC1C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C","CC(C)=CC1C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C","CC(C)=CC1C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C","CC(C)=CC1C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4714,1786,"FENPROPATHRIN","39515-41-8","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C",4,0,0,"NO","NO","Mantain","High Reliability","5036"]
[4715,3723,"Hexanoic acid, 4-ethyl-5-oxo-","39517-97-0","CCC(CCC(=O)O)C(C)=O",null,"CCC(CCC(=O)O)C(C)=O","CCC(CCC(=O)O)C(C)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4716,null,"2-Butenedioic acid, 2-methyl-, 1-methyl ester, (","39529-95-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4717,423,"DIMALONE","39589-98-5","COC(=O)C1C(C2C=CC1C2)C(=O)OC","COC(=O)C1C(C2C=CC1C2)C(=O)OC","COC(=O)C1C(C2C=CC1C2)C(=O)OC",null,3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[4718,null,"acetamide,2-cyano-n-methyl-n-(methylamino)carb","39615-79-7",null,"CNC(=O)N(C)C(=O)CC#N",null,"CNC(=O)N(C)C(=O)CC#N",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4719,759,"1,1'-Biphenyl, 2,3,3',4,4',5,5'-heptachloro-","39635-31-9","Clc1c(c(cc(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4720,null,"Acetamide, 2-(acetylamino)-N-phenyl-","39764-27-7","CC(=O)NCC(=O)Nc1ccccc1",null,"CC(=O)NCC(=O)Nc1ccccc1",null,2,0,2,"NO","NO","Manual Check","VErify correctness of CAS; Search at least one confirmation"]
[4721,1299,"Oxadiargyl","39807-15-3","C#CCOc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl","C#CCOc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl","C#CCOc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl","C#CCOc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4722,null,"1h-purine-2,6-dione,1-ethyl-3,7-dihydro-3,7-dim","39832-36-5",null,"CCn1c(n(c2c(c1=O)n(cn2)C)C)=O",null,"CCn1c(n(c2c(c1=O)n(cn2)C)C)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4723,null,"azinphos-ethyl,o-analog","39923-25-6",null,"CCOP(=O)(OCC)SCn1c(c2c(nn1)cccc2)=O",null,"CCOP(=O)(OCC)SCn1c(c2c(nn1)cccc2)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4724,null,"DL-Alanine, N-(2-furanylcarbonyl)-, ethyl ester","39978-21-7","CCOC(=O)C(C)NC(=O)c1occc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4725,null,"Ethyl 2-formamido-(phenylvinyl)acrylate","40078-42-0","CCOC(=O)C(=CC=Cc1ccccc1)NC=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4726,4132,"TRIS(1,3-DICHLOROPROPYL) PHOSPHATE","40120-74-9","O=P(OC(Cl)CCCl)(OC(Cl)CCCl)OC(Cl)CCCl","O=P(OC(Cl)CCCl)(OC(Cl)CCCl)OC(Cl)CCCl",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4727,748,"1,1'-Biphenyl, 2,2',3,3',4,5',6-heptachloro-","40186-70-7","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4728,733,"2,2',3,3',4,5',6,6'-OCTACHLOROBIPHENYL","40186-71-8","Clc1c(c(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4729,964,"2,2',3,3',4,4',5,5',6-NONACHLOROBIPHENYL","40186-72-9","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability","4875"]
[4730,1204,"D-Glucose, 2,3,4,6-tetraacetate","40437-08-9",null,null,"CC(=O)OCC(O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O","CC(=O)OCC(O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O",2,0,2,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed, Checked on PubChem"]
[4731,null,"GLYPHOSATE-AMMONIUM","40465-66-5",null,"O=C(O)CNCP(=O)(O)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[4732,1053,"PENDIMETHALIN","40487-42-1","CCC(CC)Nc1c(c(c(cc1[N+](=O)[O-])C)C)[N+](=O)[O-]","CCC(CC)Nc1c(c(c(cc1[N+](=O)[O-])C)C)[N+](=O)[O-]","CCC(CC)Nc1c(c(c(cc1[N+](=O)[O-])C)C)[N+](=O)[O-]",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4733,1667,"METHOPRENE","40596-69-8","COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C","COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C","COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C","COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4734,null,"1,3-Benzenedicarboxylic acid, 2-hydroxy-5-methyl","40617-52-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4735,3986,"2-Pteridinamine, N,N-dimethyl-","41047-52-3","CN(C)c1nc2c(cn1)nccn2",null,"CN(C)c1nc2c(cn1)nccn2","CN(C)c1nc2c(cn1)nccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4736,null,"Azocyclotin","41083-11-8",null,null,"c1nn(cn1)[Sn](C2CCCCC2)(C3CCCCC3)C4CCCCC4","c1nn(cn1)[Sn](C2CCCCC2)(C3CCCCC3)C4CCCCC4",2,0,2,"NO","NO","Eliminate","-",null,"Unusual elements"]
[4737,1527,"Hydroprene","41096-46-2","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",4,0,0,"NO","NO","Mantain","High Reliability","4739","Stereochemistry removed"]
[4738,424,"PROFENOFOS","41198-08-7","CCCSP(=O)(OCC)Oc1c(cc(cc1)Br)Cl","CCCSP(=O)(OCC)Oc1c(cc(cc1)Br)Cl","CCCSP(=O)(OCC)Oc1c(cc(cc1)Br)Cl","CCCSP(=O)(OCC)Oc1c(cc(cc1)Br)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4739,1527,"HYDROPRENE","41205-09-8","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",4,0,0,"NO","NO","Mantain","High Reliability","4737","Stereochemistry removed"]
[4740,253,"sparticide","41205-21-4",null,"O=C1N(C(C(=C1Cl)Cl)=O)c2ccc(cc2)F",null,"O=C1N(C(C(=C1Cl)Cl)=O)c2ccc(cc2)F",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[4741,1418,"4-Methoxy-3,3'-dimethylbenzophenone","41295-28-7","COc1c(cc(cc1)C(=O)c2cc(ccc2)C)C","COc1c(cc(cc1)C(=O)c2cc(ccc2)C)C","COc1c(cc(cc1)C(=O)c2cc(ccc2)C)C","COc1c(cc(cc1)C(=O)c2cc(ccc2)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4742,3290,"D-Mannose, (aminocarbonyl)hydrazone","41356-13-2","NC(=O)NN=CC(O)C(O)C(O)C(O)CO",null,"N=C(O)NN=CC(O)C(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)C(O)CO",3,0,1,"NO","NO","Mantain","Medium Reliability","3799, 4350","Stereochemistry removed"]
[4743,10,"Metamitron","41394-05-2","Cc1n(c(c(nn1)-c2ccccc2)=O)N","Cc1n(c(c(nn1)-c2ccccc2)=O)N","Cc1n(c(c(nn1)-c2ccccc2)=O)N","Cc1n(c(c(nn1)-c2ccccc2)=O)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4744,838,"2,2',3,5'-TETRACHLOROBIPHENYL","41464-39-5","Clc1cc(c(cc1)Cl)-c2c(c(ccc2)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(ccc2)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(ccc2)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(ccc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4745,836,"2,2',4,5'-TETRACHLOROBIPHENYL","41464-40-8","Clc1cc(c(cc1)-c2c(ccc(c2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(ccc(c2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(ccc(c2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(ccc(c2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4746,841,"2,2',5,6'-TETRACHLOROBIPHENYL","41464-41-9","Clc1cc(c(cc1)Cl)-c2c(cccc2Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(cccc2Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(cccc2Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(cccc2Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4747,853,"1,1'-Biphenyl, 2,3',4',6-tetrachloro-","41464-46-4","Clc1c(cc(cc1)-c2c(cccc2Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(cccc2Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(cccc2Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(cccc2Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4748,null,"1,1'-Biphenyl, 2,2',3,6'-tetrachloro-","41464-47-5","Clc1c(c(ccc1)-c2c(cccc2Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(cccc2Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(cccc2Cl)Cl)Cl",3,1,0,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[4749,824,"2,2',3',4,5-PENTACHLOROBIPHENYL","41464-51-1","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4750,null,"Decanebis(thioic) acid","41476-09-9",null,null,"O=C(S)CCCCCCCCC(=O)S","O=C(S)CCCCCCCCC(=O)S",2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[4751,1072,"BUPIRIMATE","41483-43-6","CCCCc1c(nc(nc1C)NCC)OS(=O)(=O)N(C)C","CCCCc1c(nc(nc1C)NCC)OS(=O)(=O)N(C)C","CCCCc1c(nc(nc1C)NCC)OS(=O)(=O)N(C)C","CCCCc1c(nc(nc1C)NCC)OS(=O)(=O)N(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4752,3627,"L-Proline, 1-(2-cyanoethyl)-5-oxo-","41563-94-4","N#CCCN1C(CCC1=O)C(=O)O","N#CCCN1C(CCC1=O)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[4753,432,"Acetamide, N-(4-ethoxy-2-methylphenyl)-","41570-59-6","CCOc1cc(c(cc1)NC(C)=O)C",null,"CCOc1cc(c(cc1)N=C(C)O)C","CCOc1cc(c(cc1)N=C(C)O)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4754,4252,"TRICYCLAZOLE","41814-78-2","Cc1c2c(ccc1)sc3n2cnn3","Cc1c2c(ccc1)sc3n2cnn3","Cc1c2c(ccc1)sc3n2cnn3","Cc1c2c(ccc1)sc3n2cnn3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4755,null,"TETRACHLORODIBENZO-P-DIOXINS","41903-57-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4756,4042,"Benzaldehyde, 4-hydroxy-5-methoxy-2-methyl-","42044-81-5","COc1c(cc(c(c1)C=O)C)O",null,"COc1c(cc(c(c1)C=O)C)O","COc1c(cc(c(c1)C=O)C)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4757,1524,"NADOLOL","42200-33-9","CC(C)(C)NCC(O)COc1c2c(ccc1)CC(C(C2)O)O","CC(C)(C)NCC(O)COc1c2c(ccc1)CC(C(C2)O)O","CC(C)(C)NCC(O)COc1c2c(ccc1)CC(C(C2)O)O","CC(C)(C)NCC(O)COc1c2c(ccc1)CC(C(C2)O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4758,3161,"1-METHYL-4-CARBOXY-2-PYRROLIDONE","42346-68-9","CN1C(CC(C1)C(=O)O)=O","CN1C(CC(C1)C(=O)O)=O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4759,1793,"Diltiazem","42399-41-7","COc1ccc(cc1)C2C(C(N(c3c(S2)cccc3)CCN(C)C)=O)OC(C)=O","COc1ccc(cc1)C2C(C(N(c3c(S2)cccc3)CCN(C)C)=O)OC(C)=O","COc1ccc(cc1)C2C(C(N(c3c(S2)cccc3)CCN(C)C)=O)OC(C)=O","COc1ccc(cc1)C2C(C(N(c3c(S2)cccc3)CCN(C)C)=O)OC(C)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4760,4158,"ISAZOFOS","42509-80-8","CCOP(=S)(OCC)Oc1nn(c(n1)Cl)C(C)C","CCOP(=S)(OCC)Oc1nn(c(n1)Cl)C(C)C","CCOP(=S)(OCC)Oc1nn(c(n1)Cl)C(C)C","CCOP(=S)(OCC)Oc1nn(c(n1)Cl)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4761,1254,"BIFENOX","42576-02-3","COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]","COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]","COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]","COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4762,1584,"Kinoprene","42588-37-4","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4763,1498,"Daimuron","42609-52-9","Cc1ccc(cc1)NC(=O)NC(C)(C)c2ccccc2","Cc1ccc(cc1)NC(=O)NC(C)(C)c2ccccc2","Cc1ccc(cc1)NC(O)=NC(C)(C)c2ccccc2","Cc1ccc(cc1)NC(O)=NC(C)(C)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4764,1499,"methyldymron","42609-73-4","Cc1ccc(cc1)N(C)C(=O)NC(C)(C)c2ccccc2","CN(C(=O)NC(C)(C)c1ccccc1)c2ccccc2","CN(C(O)=NC(C)(C)c1ccccc1)c2ccccc2","CN(C(O)=NC(C)(C)c1ccccc1)c2ccccc2",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[4765,738,"2,2',3,3',4,4',5,6'-OCTACHLOROBIPHENYL","42740-50-1","Clc1c(c(c(c(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4766,null,"Propanediamide, 2,2-dihydroxy-N,N'-bis(4-methylp","42793-96-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4767,4017,"Urea, (3-acetylphenyl)-","42865-71-4","CC(=O)c1cc(ccc1)NC(N)=O","CC(=O)c1cc(ccc1)NC(N)=O",null,"CC(=O)c1cc(ccc1)NC(N)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4768,1272,"OXYFLUORFEN","42874-03-3","CCOc1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","CCOc1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","CCOc1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","CCOc1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4769,4206,"2-Propanol, 1,3-dipropoxy-","43015-17-4","CCCOCC(O)COCCC",null,"CCCOCC(O)COCCC","CCCOCC(O)COCCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4770,1162,"TRIADIMEFON","43121-43-3","CC(C)(C)C(=O)C(Oc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(=O)C(Oc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(=O)C(Oc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(=O)C(Oc1ccc(cc1)Cl)n2ncnc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4771,4316,"Propanamide, 2-oxo-N-phenyl-","46114-86-7","CC(=O)C(=O)Nc1ccccc1","CC(=O)C(=O)Nc1ccccc1","CC(=O)C(=O)Nc1ccccc1","CC(=O)C(=O)Nc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4772,662,"Valeric acid, 5-(benzenesulfonyl-methyl-amino)-","46855-40-7","CN(CCCCC(=O)O)S(=O)(=O)c1ccccc1",null,"CN(CCCCC(=O)O)S(=O)(=O)c1ccccc1","CN(CCCCC(=O)O)S(=O)(=O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4773,null,"1,2,3-Cyclopropanetricarboxylic acid","48126-70-1","O=C(O)C1C(C1C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[4774,430,"3-Pyridinecarboxylic acid, pentyl ester","49558-04-5","CCCCCOC(=O)c1cnccc1","CCCCCOC(=O)c1cnccc1","CCCCCOC(=O)c1cnccc1","CCCCCOC(=O)c1cnccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4775,3628,"Phenol, 4-(2-aminoethyl)-2-nitro-","49607-15-0","NCCc1cc(c(cc1)O)[N+](=O)[O-]",null,"NCCc1cc(c(cc1)O)[N+](=O)[O-]","NCCc1cc(c(cc1)O)[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4776,null,"Acetic acid, 2,2',2''-[1,2,3-benzenetriyltris(ox","49629-98-3",{"$nulls":3},"O=C(O)COc1c(c(ccc1)OCC(=O)O)OCC(=O)O",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4777,null,"carbamicacid,(1,3-dioxo-1,3-propanediyl)bis-,","49754-15-6",null,"CCOC(=O)NC(=O)CC(=O)NC(=O)OCC",null,"CCOC(=O)NC(=O)CC(=O)NC(=O)OCC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4778,null,"Octanebis(thioic) acid","49861-19-0",null,null,"O=C(S)CCCCCCC(=O)S","O=C(S)CCCCCCC(=O)S",2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[4779,4020,"2,4(1H,3H)-Pteridinedione, 1,6,7-trimethyl-","50256-21-8","Cc1c(nc2c(n1)c(=O)[nH]c(=O)n2C)C",null,"Cc1c(nc2c(n1)c(O)nc(=O)n2C)C","Cc1c(nc2c(n1)c(O)nc(=O)n2C)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4780,null,"ACETIC ACID, [(4-BROMOPHENYL)SULFONYL]-, METHYL","50397-65-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4781,2074,"1,2,3-THIADIAZOLE, 5-METHYL-","50406-54-7","Cc1snnc1","Cc1snnc1","Cc1snnc1","Cc1snnc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4782,null,"2H-Imidazole-2-thione, 1,3-dihydro-4-(1,2,3,4-te","50453-17-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4783,941,"VINCLOZOLIN","50471-44-8","C=CC1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C","C=CC1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C","C=CC1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C","C=CC1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4784,null,"ipt(isoprothiolane)","50512-35-1",null,"CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1",null,"CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4785,1041,"Dimethachlor","50563-36-5","COCCN(C(=O)CCl)c1c(cccc1C)C","COCCN(C(=O)CCl)c1c(cccc1C)C","COCCN(C(=O)CCl)c1c(cccc1C)C","COCCN(C(=O)CCl)c1c(cccc1C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4786,1237,"ACIFLUORFEN","50594-66-6","O=C(O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","O=C(O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","O=C(O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","O=C(O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4787,2034,"Terfenadine","50679-08-8","CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4","CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4","CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4","CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4788,1376,"Azacyclohexadecan-2-one","50768-64-4","O=C1NCCCCCCCCCCCCCC1",null,"OC=1CCCCCCCCCCCCCCN1","OC=1CCCCCCCCCCCCCCN1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4789,508,"VX","50782-69-9","CCOP(C)(=O)SCCN(C(C)C)C(C)C","CCOP(C)(=O)SCCN(C(C)C)C(C)C","CCOP(C)(=O)SCCN(C(C)C)C(C)C","CCOP(C)(=O)SCCN(C(C)C)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4790,367,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-AMINO-2-OXOETHYL","50785-22-3",null,null,"CC(=O)Oc1c(cccc1)C(=O)OCC(=N)O","CC(=O)Oc1c(cccc1)C(=O)OCC(=N)O",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[4791,null,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-ETHOXY-2-OXOETHY","50785-24-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4792,1228,"Hexanamide, N,N'-1,2-ethanediylbis-","50905-12-9","CCCCCC(=O)NCCNC(=O)CCCCC","CCCCCC(=O)NCCNC(=O)CCCCC",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[4793,4248,"Acetamide, N-(2-chlorophenyl)-2-cyano-","50982-66-6","N#CCC(=O)Nc1c(cccc1)Cl","N#CCC(=O)Nc1c(cccc1)Cl","N#CCC(=O)Nc1c(cccc1)Cl","N#CCC(=O)Nc1c(cccc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4794,null,"BENZENEACETIC ACID, .alpha.-(ACETYLOXY)-, (R)-","51019-43-3","CC(=O)OC(C(=O)O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[4795,null,"GALATITOL, 2,3:4,5-DIANHYDRO-1,6-DIDEOXY-","51065-35-1",null,"CC1C(O1)C2C(O2)C",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4796,363,"1H-Indole-2,3-dicarboxamide, 1-methyl-","51072-90-3","Cn1c2c(c(c1C(N)=O)C(N)=O)cccc2",null,"Cn1c2c(c(c1C(=N)O)C(=N)O)cccc2","Cn1c2c(c(c1C(=N)O)C(=N)O)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4797,null,"N-<2-cyano-ethyl>-alanine","51078-47-8",null,null,"CC(NCCC#N)C(=O)O","CC(NCCC#N)C(=O)O",2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[4798,null,"N-<2-cyano-ethyl>-valine","51078-49-0",{"$nulls":3},"CC(C)C(NCCC#N)C(=O)O",1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[4799,3903,"1,3-Benzenedicarboxylic acid, 4-sulfo-","51084-31-2","O=C(O)c1cc(c(cc1)S(=O)(=O)O)C(=O)O",null,"O=C(O)c1cc(c(cc1)S(=O)(=O)O)C(=O)O","O=C(O)c1cc(c(cc1)S(=O)(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4800,3064,"3-Pyridinecarbothioic acid","51087-03-7","OC(=S)c1cnccc1",null,"O=C(S)c1cnccc1","O=C(S)c1cnccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4801,394,"1H-Pyrazol-5-amine, 3,4-dimethyl-1-phenyl-","51143-42-1","Cc1c(c(n(n1)-c2ccccc2)N)C",null,"Cc1c(c(n(n1)-c2ccccc2)N)C","Cc1c(c(n(n1)-c2ccccc2)N)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4802,null,"Benzenesulfonamide, 4-amino-N-methyl-N-2-thiazol","51203-19-1",{"$nulls":3},"CN(c1sccn1)S(=O)(=O)c2ccc(cc2)N",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4803,764,"2,3,7,8-TETRACHLORODIBENZOFURAN","51207-31-9","Clc1c(cc2c(c1)oc3c2cc(c(c3)Cl)Cl)Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3)Cl)Cl)Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3)Cl)Cl)Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4804,1358,"METOLACHLOR","51218-45-2","CCc1c(c(ccc1)C)N(C(=O)CCl)C(C)COC","CCc1c(c(ccc1)C)N(C(=O)CCl)C(C)COC","CCc1c(c(ccc1)C)N(C(=O)CCl)C(C)COC","CCc1c(c(ccc1)C)N(C(=O)CCl)C(C)COC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4805,1519,"PRETILCHLOR","51218-49-6",null,"CCCOCCN(C(=O)CCl)c1c(cccc1CC)CC","CCCOCCN(C(=O)CCl)c1c(cccc1CC)CC","CCCOCCN(C(=O)CCl)c1c(cccc1CC)CC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4806,680,"HEXAZINONE","51235-04-2","CN(C)c1n(c(n(c(n1)=O)C2CCCCC2)=O)C","CN(C)c1n(c(n(c(n1)=O)C2CCCCC2)=O)C","CN(C)c1n(c(n(c(n1)=O)C2CCCCC2)=O)C",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4807,1598,"Buminafos","51249-05-9","CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC","CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC","CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC","CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4808,null,"1H-Imidazole-4,5-dicarboxylic acid, 2-(1-methyle","51294-23-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4809,1748,"BUTHIOBATE","51308-54-4","CCCCSC(=Nc1cnccc1)SCc2ccc(cc2)C(C)(C)C","CCCCSC(=Nc1cnccc1)SCc2ccc(cc2)C(C)(C)C","CCCCSC(=Nc1cnccc1)SCc2ccc(cc2)C(C)(C)C","CCCCSC(=Nc1cnccc1)SCc2ccc(cc2)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4810,1403,"DICLOFOP-METHYL","51338-27-3","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4811,null,"Propanoic acid, 2-[(ethoxythioxomethyl)thio]-","51440-83-6","CCOC(=S)SC(C)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4812,689,"VEL 3510","51461-71-3","COC(CN(C)C(=O)Nc1sc(nn1)C(C)(C)C)OC","COC(CN(C)C(=O)Nc1sc(nn1)C(C)(C)C)OC","COC(CN(C)C(=O)Nc1sc(nn1)C(C)(C)C)OC","COC(CN(C)C(=O)Nc1sc(nn1)C(C)(C)C)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4813,164,"CIMETIDINE","51481-61-9","CN=C(NC#N)NCCSCc1c([nH]cn1)C","CN=C(NC#N)NCCSCc1c([nH]cn1)C","CNC(=NC#N)NCCSCc1c([nH]cn1)C","CNC(=NC#N)NCCSCc1c([nH]cn1)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4814,410,"Cloethocarb","51487-69-5","CNC(=O)Oc1c(cccc1)OC(CCl)OC","CNC(=O)Oc1c(cccc1)OC(CCl)OC","CNC(=O)Oc1c(cccc1)OC(CCl)OC","CNC(=O)Oc1c(cccc1)OC(CCl)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4815,594,"N1-METHYL-N1-(2-PYRIDYL)SULFANILAMIDE","51543-29-4","CN(c1ncccc1)S(=O)(=O)c2ccc(cc2)N",null,null,"CN(c1ncccc1)S(=O)(=O)c2ccc(cc2)N",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[4816,2033,"milbemectina3","51596-10-2",null,"CC=1CC(C=CC=C2COC3C(C(=CC(C(OC4CC(CC1)OC5(C4)OC(C(CC5)C)C)=O)C32O)C)O)C",null,"CC=1CC(C=CC=C2COC3C(C(=CC(C(OC4CC(CC1)OC5(C4)OC(C(CC5)C)C)=O)C32O)C)O)C",2,0,2,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed, Name verified in PubChem"]
[4817,2035,"Milbemectin A4","51596-11-3",null,"CCC1C(CCC2(O1)OC3CC(C2)OC(C4C=C(C(C5OCC(=CC=CC(CC(=CC3)C)C)C54O)O)C)=O)C","CCC1C(CCC2(O1)OC3CC(C2)OC(C4C=C(C(C5OCC(=CC=CC(CC(=CC3)C)C)C54O)O)C)=O)C","CCC1C(CCC2(O1)OC3CC(C2)OC(C4C=C(C(C5OCC(=CC=CC(CC(=CC3)C)C)C54O)O)C)=O)C",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[4818,1860,"FENVALERATE","51630-58-1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl",null,3,0,1,"NO","NO","Mantain","Medium Reliability","5059"]
[4819,4277,"THIDIAZURON","51707-55-2","O=C(Nc1ccccc1)Nc2snnc2","O=C(Nc1ccccc1)Nc2snnc2","O=C(Nc1ccccc1)Nc2snnc2","O=C(Nc1ccccc1)Nc2snnc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4820,null,"Bicyclo[2.2.1]heptan-2-ol, 3-amino-1,7,7-trimeth","51773-76-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4821,920,"2,4-Dichlorodiphenyl ether","51892-26-3",null,"Clc1cc(c(cc1)Oc2ccccc2)Cl","Clc1cc(c(cc1)Oc2ccccc2)Cl","Clc1cc(c(cc1)Oc2ccccc2)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4822,775,"2,2',3,4',5,5'-HEXACHLOROBIPHENYL","51908-16-8","Clc1cc(c(c(c1)Cl)Cl)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4823,1177,"PIPEMIDIC ACID","51940-44-4","CCn1c2c(c(c(c1)C(=O)O)=O)cnc(N3CCNCC3)n2","CCn1c2c(c(c(c1)C(=O)O)=O)cnc(N3CCNCC3)n2","CCn1c2c(c(c(c1)C(=O)O)=O)cnc(N3CCNCC3)n2","CCn1c2c(c(c(c1)C(=O)O)=O)cnc(N3CCNCC3)n2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4824,null,"Urea, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl","51944-15-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4825,null,"Urea, N-butyl-N'-(2,3-dihydro-1,5-dimethyl-3-oxo","51944-17-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4826,2287,"4(3H)-Pyrimidone","51953-17-4","O=c1[nH]cncc1","O=C1N=CN=CC1",null,null,2,0,2,"NO","NO","Mantain","High Reliability","3509","Checked on ChemID, Checked on PubChem"]
[4827,null,"ac94,377","51971-67-6",null,"NC(=O)C1(CCCCC1)N2C(c3c(C2=O)cccc3Cl)=O",null,"NC(=O)C1(CCCCC1)N2C(c3c(C2=O)cccc3Cl)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4828,null,"3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-1,2-diphe","52128-85-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4829,null,"Heptanedioic acid, 2,6-dimethyl-, (R*,S*)-","52137-33-4","CC(CCCC(C)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[4830,1401,"2-ETHYLANTHRACENE","52251-71-5","CCc1cc2c(cc1)cc3c(cccc3)c2","CCc1cc2c(cc1)cc3c(cccc3)c2","CCc1cc2c(cc1)cc3c(cccc3)c2","CCc1cc2c(cc1)cc3c(cccc3)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4831,1775,"CYPERMETHRIN","52315-07-8","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",null,3,0,1,"NO","NO","Mantain","Medium Reliability","5082"]
[4832,null,"2,5-Pyrrolidinedicarboxylic acid, 1-methyl-, cis","52321-05-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4833,null,"Cyclohexylmercapto-acetic acid","52363-15-2","O=C(O)CSC1CCCCC1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4834,3159,"5-ETHYL-5-METHYL-2,4-OXAZOLIDINEDIONE","52387-52-7","CCC1(C(NC(O1)=O)=O)C","CCC1(C(NC(O1)=O)=O)C",null,"CCC1(C(NC(O1)=O)=O)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4835,null,"N-(ETHYLAMINOMETHYL)BENZAMIDE","52387-57-2","CCNCNC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4836,1627,"Naproanilide","52570-16-8","CC(Oc1cc2c(cc1)cccc2)C(=O)Nc3ccccc3","CC(Oc1cc2c(cc1)cccc2)C(=O)Nc3ccccc3","CC(Oc1cc2c(cc1)cccc2)C(O)=Nc3ccccc3","CC(Oc1cc2c(cc1)cccc2)C(O)=Nc3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4837,1733,"PERMETHRIN","52645-53-1","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2cc(ccc2)Oc3ccccc3)C","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2cc(ccc2)Oc3ccccc3)C","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2cc(ccc2)Oc3ccccc3)C",null,3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[4838,858,"2,2',3,4-TETRACHLOROBIPHENYL","52663-59-9","Clc1c(cccc1)-c2c(c(c(cc2)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(c(cc2)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(c(cc2)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(c(cc2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4839,822,"2,2',3,3',6-PENTACHLOROBIPHENYL","52663-60-2","Clc1c(c(ccc1)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4840,797,"2,2',3,5,5'-PENTACHLOROBIPHENYL","52663-61-3","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4841,null,"2,2',3,4,5-PENTACHLOROBIPHENYL","52663-62-4","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",2,2,0,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4842,771,"2,2',3,5,5',6-HEXACHLOROBIPHENYL","52663-63-5","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4843,743,"2,2',3,3',5,6,6'-HEPTACHLOROBIPHENYL","52663-64-6","Clc1c(c(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4844,744,"1,1'-Biphenyl, 2,2',3,3',4,6,6'-heptachloro-","52663-65-7","Clc1c(c(c(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4845,747,"2,2',3,3',5,5',6-HEPTACHLOROBIPHENYL","52663-67-9","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4846,756,"2,2',3,4',5,5',6-HEPTACHLOROBIPHENYL","52663-68-0","Clc1c(cc(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4847,757,"2,2',3,4,4',5',6-Heptachlorobiphenyl","52663-69-1","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4848,755,"1,1'-Biphenyl, 2,2',3,3',4,5',6'-heptachloro-","52663-70-4","Clc1c(c(c(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4849,754,"2,2',3,3',4,4',6-HEPTACHLOROBIPHENYL","52663-71-5","Clc1c(c(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4850,794,"2,3',4,4',5,5'-HEXACHLOROBIPHENYL","52663-72-6","Clc1c(cc(c(c1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4851,728,"1,1'-Biphenyl, 2,2',3,3',4,5,6,6'-octachloro-","52663-73-7","Clc1c(c(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4852,750,"2,2',3,3',4,5,5'-HEPTACHLOROBIPHENYL","52663-74-8","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4853,735,"2,2',3,3',4,5,5',6'-OCTACHLOROBIPHENYL","52663-75-9","Clc1c(c(c(c(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4854,737,"1,1'-Biphenyl, 2,2',3,4,4',5,5',6-octachloro-","52663-76-0","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4855,963,"2,3,4,5,6,2',3',5',6'-PCB","52663-77-1",null,"Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4856,736,"2,2',3,3',4,4',5,6-OCTACHLOROBIPHENYL","52663-78-2","Clc1c(c(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4857,962,"1,1'-Biphenyl, 2,2',3,3',4,4',5,6,6'-nonachloro-","52663-79-3","Clc1c(c(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4858,785,"2,2',3,3',5,6-HEXACHLOROBIPHENYL","52704-70-8","Clc1c(c(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4859,773,"2,2',3,4,5,5'-HEXACHLOROBIPHENYL","52712-04-6","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4860,746,"2,2',3,4,5,5',6-HEPTACHLOROBIPHENYL","52712-05-7","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4861,777,"2,2',3,3',5,6'-HEXACHLOROBIPHENYL","52744-13-5","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(ccc2Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(ccc2Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(ccc2Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(ccc2Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4862,1630,"FLAMPROP-ISOPROPYL","52756-22-6","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",4,0,0,"NO","NO","Mantain","High Reliability","4952, 5027"]
[4863,1474,"FLAMPROP-METHYL","52756-25-9","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",4,0,0,"NO","NO","Mantain","High Reliability","5026"]
[4864,1212,"PROSULFOCARB","52888-80-9","CCCN(CCC)C(=O)SCc1ccccc1","CCCN(CCC)C(=O)SCc1ccccc1","CCCN(CCC)C(=O)SCc1ccccc1","CCCN(CCC)C(=O)SCc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4865,1773,"DELTAMETHRIN","52918-63-5","CC1(C(C1C=C(Br)Br)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C","CC1(C(C1C=C(Br)Br)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C","CC1(C(C1C=C(Br)Br)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",null,3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[4866,null,"hydrazinecarboxamide,1-(2-hydroxyhexyl)-2-[(5-n","52926-52-0",null,"CCCCC(O)CN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O",null,"CCCCC(O)CN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[4867,null,"TETRANITROANILINE","53014-37-2","O=[N+]([O-])c1cccc(N([N+](=O)[O-])[N+](=O)[O-])c1[N+](=O)[O-]","Nc1c(c(cc(c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","Nc1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,0,3,1,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4868,3079,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)-","53039-86-4","CC(=O)OC1C(NC(NC1=O)=O)=O","CC(=O)OC1C(NC(NC1=O)=O)=O","CC(=O)OC1C(NC(NC1=O)=O)=O","CC(=O)OC1C(NC(NC1=O)=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4869,592,"Pyrimethanil","53112-28-0","Cc1nc(nc(c1)C)Nc2ccccc2","Cc1nc(nc(c1)C)Nc2ccccc2","Cc1nc(nc(c1)C)Nc2ccccc2","Cc1nc(nc(c1)C)Nc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4870,null,"AROCLOR 1242","53469-21-9","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl",null,null,2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[4871,3307,"HEPTANOL","53535-33-4","CCCCCCCO","CCCCCCCO",null,null,2,0,2,"NO","NO","Mantain","High Reliability","1227","Checked on ChemID, Checked on PubChem"]
[4872,257,"1,2,3,5-TETRACHLORONAPHTHALENE","53555-63-8","Clc1c(c(c2c(c1)c(Cl)ccc2)Cl)Cl","Clc1c(c(c2c(c1)c(Cl)ccc2)Cl)Cl","Clc1c(c(c2c(c1)c(Cl)ccc2)Cl)Cl","Clc1c(c(c2c(c1)c(Cl)ccc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4873,255,"1,3,5,7-TETRACHLORONAPHTHALENE","53555-64-9","Clc1cc2c(c(c1)Cl)cc(Cl)cc2Cl","Clc1cc2c(c(c1)Cl)cc(Cl)cc2Cl","Clc1cc2c(c(c1)Cl)cc(Cl)cc2Cl","Clc1cc2c(c(c1)Cl)cc(Cl)cc2Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4874,1057,"Ibuproxam","53648-05-8","CC(C)Cc1ccc(cc1)C(C)C(=O)NO","CC(C)Cc1ccc(cc1)C(C)C(=O)NO",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4875,964,"NONACHLORO-1,1'-BIPHENYL","53742-07-7","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,null,2,0,2,"NO","NO","Mantain","High Reliability","4729","Checked on ChemID, Checked on PubChem"]
[4876,2073,"1H-Imidazole-2-sulfonic acid","53744-47-1","O=S(=O)(O)c1[nH]ccn1",null,"O=S(=O)(O)c1[nH]ccn1","O=S(=O)(O)c1[nH]ccn1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4877,391,"MEFLUIDIDE","53780-34-0","CC(=O)Nc1c(cc(c(c1)NS(=O)(=O)C(F)(F)F)C)C","CC(=O)Nc1c(cc(c(c1)NS(=O)(=O)C(F)(F)F)C)C","CC(=O)Nc1c(cc(c(c1)NS(=O)(=O)C(F)(F)F)C)C","CC(=O)Nc1c(cc(c(c1)NS(=O)(=O)C(F)(F)F)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4878,null,"24nh2pyrimidine,5(35-meo-4-oetome)benzyl","53808-87-0",null,"COCCOc1c(cc(cc1OC)Cc2c(nc(nc2)N)N)OC",null,"COCCOc1c(cc(cc1OC)Cc2c(nc(nc2)N)N)OC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4879,null,"Butane, 1,1',1''-[methylidynetris(sulfonyl)]tris","53893-44-0",null,null,"CCCCS(=O)(=O)C(S(=O)(=O)CCCC)S(=O)(=O)CCCC","CCCCS(=O)(=O)C(S(=O)(=O)CCCC)S(=O)(=O)CCCC",2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[4880,3866,"1(3H)-Isobenzofuranone, 6-iodo-","53910-10-4","O=C1c2c(CO1)ccc(I)c2",null,"O=C1c2c(CO1)ccc(I)c2","O=C1c2c(CO1)ccc(I)c2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4881,null,"2,4,6(1h,3h,5h)-pyrimidinetrione,5-butyl-5-meth","53943-60-5",null,"CCCCC1(C(NC(NC1=O)=O)=O)C",null,"CCCCC1(C(NC(NC1=O)=O)=O)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4882,null,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl-5-(2-","53943-61-6",null,null,"C=CCC1(C(=NC(N=C1O)=O)O)C","CC(C)CC1(C(NC(NC1=O)=O)=O)C",0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4883,null,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-(2-m","53943-64-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4884,null,"2-Butenoic acid, 2-chloro-, (Z)-","53993-41-2","CC=C(Cl)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[4885,null,"cefaclor(panoral)","53994-73-3",null,"NC(C(=O)NC1C2N(C1=O)C(C(=O)O)=C(Cl)CS2)c3ccccc3",null,"NC(C(=O)NC1C2N(C1=O)C(C(=O)O)=C(Cl)CS2)c3ccccc3",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[4886,412,"Benzamide, N-(2-amino-1,1-dimethyl-2-oxoethyl)-","54016-23-8","CC(C)(NC(=O)c1ccccc1)C(N)=O","CC(C)(NC(=O)c1ccccc1)C(N)=O","CC(C)(N=C(O)c1ccccc1)C(=N)O","CC(C)(N=C(O)c1ccccc1)C(=N)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4887,3390,"1,2,3-TRICHLORO-4-METHOXYBENZENE","54135-80-7","COc1c(c(c(cc1)Cl)Cl)Cl","COc1c(c(c(cc1)Cl)Cl)Cl","COc1c(c(c(cc1)Cl)Cl)Cl","COc1c(c(c(cc1)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4888,null,"6-Oxabicyclo[3.2.1]oct-2-ene-8-carboxylic acid,","54345-92-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4889,null,"Benzenamine, 2,6-dibromo-N-nitro-","54381-71-4","O=[N+]([O-])Nc1c(cccc1Br)Br",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4890,1581,"EMPENTHRIN","54406-48-3","C#CC(OC(=O)C1C(C1C=C(C)C)(C)C)C(C)=CCC","C#CC(OC(=O)C1C(C1C=C(C)C)(C)C)C(C)=CCC","C#CC(OC(=O)C1C(C1C=C(C)C)(C)C)C(C)=CCC","C#CC(OC(=O)C1C(C1C=C(C)C)(C)C)C(C)=CCC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4891,null,"4-methyl-trans-crotonic acid nitrile","54496-86-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4892,706,"Pentanamide, N,N'-1,2-ethanediylbis-","54535-60-3","CCCCC(=O)NCCNC(=O)CCCC","CCCCC(=O)NCCNC(=O)CCCC","CCCCC(=O)NCCNC(=O)CCCC","CCCCC(=O)NCCNC(=O)CCCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4893,2751,"CHLORETHOXYFOS","54593-83-8","CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl","CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl","CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl","CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4894,2325,"2-Pyrrolidinone, 1-nitroso-","54634-49-0","O=NN1C(CCC1)=O","O=NN1C(CCC1)=O","O=NN1C(CCC1)=O","O=NN1C(CCC1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4895,3748,"D-Alloisoleucine, N-acetyl-","54831-20-8","CCC(C)C(NC(C)=O)C(=O)O",null,"CCC(C)C(N=C(C)O)C(=O)O","CCC(C)C(N=C(C)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","4238, 4252, 4567","Stereochemistry removed"]
[4896,3574,"1,3-Benzenediol, 5-(methylthio)-","54839-91-7","CSc1cc(cc(c1)O)O",null,"CSc1cc(cc(c1)O)O","CSc1cc(cc(c1)O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4897,141,"1,3-Benzenediol, 5-(butylthio)-","54839-92-8","CCCCSc1cc(cc(c1)O)O",null,"CCCCSc1cc(cc(c1)O)O","CCCCSc1cc(cc(c1)O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4898,3746,"D-Norleucine, N-acetyl-","54896-21-8","CCCCC(NC(C)=O)C(=O)O","CCCCC(NC(C)=O)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","Medium Reliability","3870","Stereochemistry removed, Checked on PubChem"]
[4899,1700,"BITERTANOL","55179-31-2","CC(C)(C)C(O)C(Oc1ccc(cc1)-c2ccccc2)n3ncnc3","CC(C)(C)C(O)C(Oc1ccc(cc1)-c2ccccc2)n3ncnc3","CC(C)(C)C(O)C(Oc1ccc(cc1)-c2ccccc2)n3ncnc3","CC(C)(C)C(O)C(Oc1ccc(cc1)-c2ccccc2)n3ncnc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4900,821,"2,2',3,4,6-PENTACHLOROBIPHENYL","55215-17-3","Clc1c(cccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4901,791,"2,2',3,3',4,5-HEXACHLOROBIPHENYL","55215-18-4","Clc1c(c(ccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4902,1182,"TRIADIMENOL","55219-65-3","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4903,1360,"Propentofylline","55242-55-2","CCCn1c2c(nc1)n(c(n(c2=O)CCCCC(C)=O)=O)C","CCCn1c2c(nc1)n(c(n(c2=O)CCCCC(C)=O)=O)C","CCCn1c2c(nc1)n(c(n(c2=O)CCCCC(C)=O)=O)C","CCCn1c2c(nc1)n(c(n(c2=O)CCCCC(C)=O)=O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4904,1648,"Praziquantel","55268-74-1","O=C(C1CCCCC1)N2CC3N(C(C2)=O)CCc4c3cccc4","O=C(C1CCCCC1)N2CC3N(C(C2)=O)CCc4c3cccc4","O=C(C1CCCCC1)N2CC3N(C(C2)=O)CCc4c3cccc4","O=C(C1CCCCC1)N2CC3N(C(C2)=O)CCc4c3cccc4",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4905,1012,"ETHALFLURALIN","55283-68-6","C=C(C)CN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","C=C(C)CN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","C=C(C)CN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","C=C(C)CN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4906,null,"Carbamic acid, [(dibutylamino)thio]methyl-, 2,3-","55285-14-8",null,"CCCCN(CCCC)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4907,2741,"DIMETHIPIN","55290-64-7","CC=1S(CCS(C1C)(=O)=O)(=O)=O","CC=1S(CCS(C1C)(=O)=O)(=O)=O","CC=1S(CCS(C1C)(=O)=O)(=O)=O","CC=1S(CCS(C1C)(=O)=O)(=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4908,827,"2,2',3,4,5-PENTACHLOROBIPHENYL","55312-69-1","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4909,3841,"Phosphoric acid, ethyl dipropyl ester","55312-81-7","CCCOP(=O)(OCC)OCCC",null,"CCCOP(=O)(OCC)OCCC","CCCOP(=O)(OCC)OCCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4910,105,"Thiomorpholine, 4-phenyl-","55330-78-4","c1ccc(cc1)N2CCSCC2","c1ccc(cc1)N2CCSCC2","c1ccc(cc1)N2CCSCC2","c1ccc(cc1)N2CCSCC2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4911,3360,"TRICLOPYR","55335-06-3","O=C(O)COc1c(cc(c(n1)Cl)Cl)Cl","O=C(O)COc1c(cc(c(n1)Cl)Cl)Cl","O=C(O)COc1c(cc(c(n1)Cl)Cl)Cl","O=C(O)COc1c(cc(c(n1)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4912,161,"BUTHIDAZOLE","55511-98-3","CN1C(N(C(C1)O)c2sc(nn2)C(C)(C)C)=O","CN1C(N(C(C1)O)c2sc(nn2)C(C)(C)C)=O","CN1C(N(C(C1)O)c2sc(nn2)C(C)(C)C)=O","CN1C(N(C(C1)O)c2sc(nn2)C(C)(C)C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4913,1642,"Pyridate","55512-33-9","CCCCCCCCSC(=O)Oc1c(nnc(c1)Cl)-c2ccccc2","CCCCCCCCSC(=O)Oc1c(nnc(c1)Cl)-c2ccccc2","CCCCCCCCSC(=O)Oc1c(nnc(c1)Cl)-c2ccccc2","CCCCCCCCSC(=O)Oc1c(nnc(c1)Cl)-c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4914,914,"3,4-Dichlorodiphenyl ether","55538-69-7",null,"Clc1c(cc(cc1)Oc2ccccc2)Cl","Clc1c(cc(cc1)Oc2ccccc2)Cl","Clc1c(cc(cc1)Oc2ccccc2)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4915,null,"L-Mannitol, 6-deoxy-1,3:2,5-di-O-methylene-","55645-89-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4916,881,"2,3,6-TRICHLOROBIPHENYL","55702-45-9","Clc1c(c(c(cc1)Cl)-c2ccccc2)Cl","Clc1c(c(c(cc1)Cl)-c2ccccc2)Cl","Clc1c(c(c(cc1)Cl)-c2ccccc2)Cl","Clc1c(c(c(cc1)Cl)-c2ccccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4917,869,"2,3,4-TRICHLORO-1,1'-BIPHENYL","55702-46-0","Clc1c(c(c(cc1)-c2ccccc2)Cl)Cl","Clc1c(c(c(cc1)-c2ccccc2)Cl)Cl","Clc1c(c(c(cc1)-c2ccccc2)Cl)Cl","Clc1c(c(c(cc1)-c2ccccc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4918,null,"Benzenamine, N,2-dinitro-","55704-91-1","O=[N+]([O-])Nc1c(cccc1)[N+](=O)[O-]",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4919,259,"1,3,7-TRICHLORONAPHTHALENE","55720-37-1","Clc1cc2c(c(c1)Cl)cc(Cl)cc2","Clc1cc2c(c(c1)Cl)cc(Cl)cc2","Clc1cc2c(c(c1)Cl)cc(Cl)cc2","Clc1cc2c(c(c1)Cl)cc(Cl)cc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4920,260,"2,3,6-TRICHLORONAPHTHALENE","55720-40-6","Clc1cc2c(cc1)cc(Cl)c(Cl)c2","Clc1cc2c(cc1)cc(Cl)c(Cl)c2","Clc1cc2c(cc1)cc(Cl)c(Cl)c2","Clc1cc2c(cc1)cc(Cl)c(Cl)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4921,256,"1,4,6,7-TETRACHLORONAPHTHALENE","55720-43-9","Clc1c(cc2c(c1)c(Cl)ccc2Cl)Cl","Clc1c(cc2c(c1)c(Cl)ccc2Cl)Cl","Clc1c(cc2c(c1)c(Cl)ccc2Cl)Cl","Clc1c(cc2c(c1)c(Cl)ccc2Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4922,null,"3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-phenyl-","55774-20-4","Cc1[nH]n(c(c1)=O)-c2ccccc2",null,"Cc1[nH]n(c(c1)=O)-c2ccccc2",null,2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on ChemID, Checked on PubChem"]
[4923,1491,"MEPRONIL","55814-41-0","Cc1c(cccc1)C(=O)Nc2cc(ccc2)OC(C)C","Cc1c(cccc1)C(=O)Nc2cc(ccc2)OC(C)C","Cc1c(cccc1)C(=O)Nc2cc(ccc2)OC(C)C","Cc1c(cccc1)C(=O)Nc2cc(ccc2)OC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4924,177,"ISOURON","55861-78-4","CN(C)C(=O)Nc1noc(c1)C(C)(C)C","CN(C)C(=O)Nc1noc(c1)C(C)(C)C","CN(C)C(=O)Nc1noc(c1)C(C)(C)C","CN(C)C(=O)Nc1noc(c1)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4925,1809,"SUFENTANIL","56030-54-7","CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3sccc3)COC","CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3sccc3)COC","CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3sccc3)COC","CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3sccc3)COC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4926,770,"2,2',3,4,4',6-Hexachlorobiphenyl","56030-56-9","Clc1cc(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4927,4219,"TERBUFOS SULFONE","56070-16-7","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4928,3807,"2-Heptanol, 4-methyl-","56298-90-9","CCCC(C)CC(C)O","CCCC(C)CC(C)O","CCCC(C)CC(C)O","CCCC(C)CC(C)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4929,null,"1,8,15-Triazacycloheneicosane-2,9,16-trione","56403-08-8","O=C1NCCCCCC(NCCCCCC(NCCCCC1)=O)=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4930,1310,"FLURPRIMIDOL","56425-91-3","CC(C)C(O)(c1ccc(cc1)OC(F)(F)F)c2cncnc2","CC(C)C(O)(c1ccc(cc1)OC(F)(F)F)c2cncnc2","CC(C)C(O)(c1ccc(cc1)OC(F)(F)F)c2cncnc2","CC(C)C(O)(c1ccc(cc1)OC(F)(F)F)c2cncnc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4931,4281,"Benzenepropanal, .alpha.-oxo-","56485-04-2","O=CC(=O)Cc1ccccc1","O=CC(=O)Cc1ccccc1",null,"O=CC(=O)Cc1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4932,808,"2,2',4,6,6'-Pentachlorobiphenyl","56558-16-8","Clc1cc(c(c(c1)Cl)-c2c(cccc2Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(cccc2Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(cccc2Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(cccc2Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4933,819,"2,3',4,4',6-PENTACHLOROBIPHENYL","56558-17-9","Clc1cc(c(c(c1)Cl)-c2cc(c(cc2)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2cc(c(cc2)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2cc(c(cc2)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2cc(c(cc2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4934,810,"1,1'-Biphenyl, 2,3',4,5',6-pentachloro-","56558-18-0","Clc1cc(cc(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4935,515,"1(2H)-PYRIMIDINECARBOXAMIDE, 5-FLUORO-3,4-DICHLO","56563-17-8",null,"O=C(Nc1ccccc1)n2c([nH]c(c(c2)F)=O)=O","O=c1n(cc(c(n1)O)F)C(O)=Nc2ccccc2","O=c1n(cc(c(n1)O)F)C(O)=Nc2ccccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4936,null,"1(2h)-pyrimidinecarboxamide,5-fluoro-3,4-dihydr","56563-18-9",null,"CNC(=O)n1c([nH]c(c(c1)F)=O)=O",null,"CNC(=O)n1c([nH]c(c(c1)F)=O)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4937,null,"T-BUTYLPHENYL DIPHENYL PHOSPHATE","56803-37-3","CC(C)(C)c1c(cccc1)OP(=O)(Oc2ccccc2)Oc3ccccc3","CC(C)(C)c1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3ccccc3",null,"*C(C)(C)C",0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4938,4055,"TOLCLOFOS-METHYL","57018-04-9","COP(=S)(OC)Oc1c(cc(cc1Cl)C)Cl","COP(=S)(OC)Oc1c(cc(cc1Cl)C)Cl","COP(=S)(OC)Oc1c(cc(cc1Cl)C)Cl","COP(=S)(OC)Oc1c(cc(cc1Cl)C)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4939,681,"Isomethiozin","57052-04-7","CSc1n(c(c(nn1)C(C)(C)C)=O)N=CC(C)C","CSc1n(c(c(nn1)C(C)(C)C)=O)N=CC(C)C","CSc1n(c(c(nn1)C(C)(C)C)=O)N=CC(C)C","CSc1n(c(c(nn1)C(C)(C)C)=O)N=CC(C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4940,3394,"3,4,5-TRICHLORO-2-METHOXYPHENOL","57057-83-7","COc1c(c(c(cc1O)Cl)Cl)Cl","COc1c(c(c(cc1O)Cl)Cl)Cl","COc1c(c(c(cc1O)Cl)Cl)Cl","COc1c(c(c(cc1O)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4941,741,"2,3,4,7,8-PENTACHLORODIBENZOFURAN","57117-31-4","Clc1c(cc2c(c1)oc3c2cc(c(c3Cl)Cl)Cl)Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3Cl)Cl)Cl)Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3Cl)Cl)Cl)Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4942,2649,"3-Pyridinesulfonamide, 6-amino-","57187-73-2","Nc1ncc(cc1)S(N)(=O)=O",null,"Nc1ncc(cc1)S(N)(=O)=O","Nc1ncc(cc1)S(N)(=O)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4943,2374,"Butanoic acid, 4-amino-2-hydroxy-4-oxo-, (S)-","57229-74-0","NC(=O)CC(O)C(=O)O",null,null,"NC(=O)CC(O)C(=O)O",2,0,2,"NO","NO","Mantain","Medium Reliability","5065","Stereochemistry removed, Checked on PubChem"]
[4944,3920,"1(3H)-Isobenzofuranone, 6-amino-","57319-65-0","Nc1cc2c(cc1)COC2=O","Nc1cc2c(cc1)COC2=O","Nc1cc2c(cc1)COC2=O","Nc1cc2c(cc1)COC2=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4945,366,"PYROQUILON","57369-32-1","O=C1N2c3c(CC1)cccc3CC2","O=C1N2c3c(CC1)cccc3CC2","O=C1N2c3c(CC1)cccc3CC2","O=C1N2c3c(CC1)cccc3CC2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4946,1639,"Phenisopham","57375-63-0","CCN(C(=O)Oc1cc(ccc1)NC(=O)OC(C)C)c2ccccc2","CCN(C(=O)Oc1cc(ccc1)NC(=O)OC(C)C)c2ccccc2","CCN(C(=O)Oc1cc(ccc1)NC(=O)OC(C)C)c2ccccc2","CCN(C(=O)Oc1cc(ccc1)NC(=O)OC(C)C)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4947,null,"Fluotrimazole","57381-79-0","FC(F)(F)c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4ncnc4",null,"FC(F)(F)c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4ncnc4",null,2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[4948,628,"ACETAMIDE, N-[2-(BENZOYLOXY)ETHYL]-N-METHYL-","57440-16-1","CC(=O)N(C)CCOC(=O)c1ccccc1",null,"CC(=O)N(C)CCOC(=O)c1ccccc1","CC(=O)N(C)CCOC(=O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4949,1494,"FURALAXYL","57646-30-7","COC(=O)C(C)N(C(=O)c1occc1)c2c(cccc2C)C","COC(=O)C(C)N(C(=O)c1occc1)c2c(cccc2C)C","COC(=O)C(C)N(C(=O)c1occc1)c2c(cccc2C)C","COC(=O)C(C)N(C(=O)c1occc1)c2c(cccc2C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4950,1355,"METALAXYL","57837-19-1","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability","5146"]
[4951,3177,"Cymoxanil","57966-95-7","CCNC(=O)NC(=O)C(C#N)=NOC","CCNC(=O)NC(=O)C(C#N)=NOC","CCNC(=O)NC(=O)C(C#N)=NOC","CCNC(=O)NC(=O)C(C#N)=NOC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4952,1630,"Flamprop-M-isopropyl","57973-67-8","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",4,0,0,"NO","NO","Mantain","High Reliability","4862, 5027","Stereochemistry removed"]
[4953,1155,"Benzenamine, 4-methyl-2-[(4-methylphenyl)azo]-","58010-91-6","Cc1ccc(cc1)N=Nc2c(ccc(c2)C)N","Cc1ccc(cc1)N=Nc2c(ccc(c2)C)N",null,"Cc1ccc(cc1)N=Nc2c(ccc(c2)C)N",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[4954,1618,"pyrazolate","58011-68-0","O=C(O)c1n[nH]cc1","Cc1ccc(cc1)S(=O)(=O)Oc2n(nc(c2C(=O)c3c(cc(cc3)Cl)Cl)C)C","Cc1ccc(cc1)S(=O)(=O)Oc2n(nc(c2C(=O)c3c(cc(cc3)Cl)Cl)C)C","Cc1ccc(cc1)S(=O)(=O)Oc2n(nc(c2C(=O)c3c(cc(cc3)Cl)Cl)C)C",3,1,0,"NO","NO","Mantain","High Reliability","","Name verified in PubChem"]
[4955,3706,"2,4(3H,5H)-Pyrimidinedione, 6-amino-5,5-diethyl-","58042-95-8","CCC1(C(=NC(NC1=O)=O)N)CC","CCC1(C(=NC(NC1=O)=O)N)CC","CCC1(C(=NC(NC1=O)=O)N)CC","CCC1(C(=NC(NC1=O)=O)N)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4956,null,"Butanedioic acid, (1-phenylethylidene)-, (E)","58266-38-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4957,null,"Butanedioic acid, (1-phenylethylidene)-, (Z)","58266-39-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4958,4263,"1(3H)-Isobenzofuranone, 3-methyl-6-nitro-","58335-58-3","CC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2",null,"CC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2","CC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4959,1484,"DIS. A. 10","58528-60-2","Cc1c(ccc(c1)N(CCO)CCO)N=Nc2c(cc(cc2Cl)[N+](=O)[O-])Cl","Cc1c(ccc(c1)N(CCO)CCO)N=Nc2c(cc(cc2Cl)[N+](=O)[O-])Cl",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4960,2975,"Benzenesulfonic acid, 3-amino-2,4,6-tribromo-","58585-89-0","Nc1c(c(c(cc1Br)Br)S(=O)(=O)O)Br",null,"Nc1c(c(c(cc1Br)Br)S(=O)(=O)O)Br","Nc1c(c(c(cc1Br)Br)S(=O)(=O)O)Br",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4961,1393,"FLAMPROP","58667-63-3","CC(C(=O)O)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","CC(C(=O)O)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","CC(C(=O)O)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","CC(C(=O)O)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4962,1164,"Ofurace","58810-48-3","Cc1c(c(ccc1)C)N(C(=O)CCl)C2C(OCC2)=O","Cc1c(c(ccc1)C)N(C(=O)CCl)C2C(OCC2)=O","Cc1c(c(ccc1)C)N(C(=O)CCl)C2C(OCC2)=O","Cc1c(c(ccc1)C)N(C(=O)CCl)C2C(OCC2)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4963,4169,"Hexanamide, N-(aminocarbonyl)-2-ethyl-","58850-93-4","CCCCC(CC)C(=O)NC(N)=O","CCCCC(CC)C(=O)NC(N)=O","CCCCC(CC)C(=O)NC(N)=O","CCCCC(CC)C(=O)NC(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4964,null,"Benzenesulfonamide, 4-amino-N-(1-methyl-2(1H)-py","58944-05-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4965,null,"Benzenesulfonamide, 4-amino-N-(3-methyl-2(3H)-th","58944-06-2",{"$nulls":3},"Cn1c(scc1)=NS(=O)(=O)c2ccc(cc2)N",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4966,null,"1H-Imidazole-4,5-dicarboxylic acid, 2-ethyl-","58954-22-6","CCc1[nH]c(c(n1)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4967,3631,"1H-Imidazole-4,5-dicarboxylic acid, 2-propyl-","58954-23-7","CCCc1[nH]c(c(n1)C(=O)O)C(=O)O",null,"CCCc1[nH]c(c(n1)C(=O)O)C(=O)O","CCCc1[nH]c(c(n1)C(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4968,180,"Ranimustine","58994-96-0","COC1C(C(C(C(O1)CNC(=O)N(CCCl)N=O)O)O)O","COC1C(C(C(C(O1)CNC(=O)N(CCCl)N=O)O)O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[4969,884,"2,4,4'-Trichlorodiphenyl ether","59039-21-3",null,"Clc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl","Clc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl","Clc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4970,2581,"Phosphoric acid, dimethyl propyl ester","59259-32-4","CCCOP(=O)(OC)OC",null,"CCCOP(=O)(OC)OC","CCCOP(=O)(OC)OC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4971,3684,"ACYCLOVIR","59277-89-3","Nc1[nH]c2c(c(n1)=O)ncn2COCCO","Nc1[nH]c2c(c(n1)=O)ncn2COCCO","Nc1[nH]c(c2c(n1)n(cn2)COCCO)=O","Nc1[nH]c(c2c(n1)n(cn2)COCCO)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4972,778,"Biphenyl, 2,2',3,4,4',6'-hexachloro-","59291-64-4","Clc1cc(c(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",null,"Clc1cc(c(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4973,3209,"5-Methyl-hex-3-enoic acid","59320-76-2","CC(C)C=CCC(=O)O",null,"CC(C)C=CCC(=O)O","CC(C)C=CCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4974,185,"THIODICARB","59669-26-0","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4975,1611,"FLURIDONE","59756-60-4","Cn1cc(c(c(c1)-c2ccccc2)=O)-c3cc(ccc3)C(F)(F)F","Cn1cc(c(c(c1)-c2ccccc2)=O)-c3cc(ccc3)C(F)(F)F","Cn1cc(c(c(c1)-c2ccccc2)=O)-c3cc(ccc3)C(F)(F)F","Cn1cc(c(c(c1)-c2ccccc2)=O)-c3cc(ccc3)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4976,3189,"1-METHYL-4-METHOXYCARBONYL-2-PYRROLIDONE","59857-86-2","COC(=O)C1CN(C(C1)=O)C","COC(=O)C1CN(C(C1)=O)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[4977,386,"2-Propenoic acid, 3-(2-ethoxyphenyl)-, (E)-","59923-03-4","CCOc1c(cccc1)C=CC(=O)O","CCOc1c(cccc1)C=CC(=O)O",null,"CCOc1c(cccc1)C=CC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[4978,805,"1,1'-Biphenyl, 2,2',4,5',6-pentachloro-","60145-21-3","Clc1cc(c(c(c1)Cl)-c2c(ccc(c2)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(ccc(c2)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(ccc(c2)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(ccc(c2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4979,769,"1,1'-Biphenyl, 2,2',4,4',5,6'-hexachloro-","60145-22-4","Clc1cc(c(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4980,751,"1,1'-Biphenyl, 2,2',3,4,4',5,6'-heptachloro-","60145-23-5","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4981,2571,"Propane, 2,2-bis(methylsulfonyl)-","60154-00-9","CC(C)(S(C)(=O)=O)S(C)(=O)=O","CC(C)(S(C)(=O)=O)S(C)(=O)=O","CC(C)(S(C)(=O)=O)S(C)(=O)=O","CC(C)(S(C)(=O)=O)S(C)(=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4982,3070,"2(1H)-Pyridinone, 5-iodo-1-methyl-","60154-05-4","Cn1c(ccc(c1)I)=O",null,"Cn1c(ccc(c1)I)=O","Cn1c(ccc(c1)I)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4983,1512,"Iopamidol","60166-93-0","CC(O)C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I","CC(O)C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I","CC(O)C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I","CC(O)C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[4984,1465,"FENARIMOL","60168-88-9","OC(c1ccc(cc1)Cl)(c2cncnc2)c3c(cccc3)Cl","OC(c1ccc(cc1)Cl)(c2cncnc2)c3c(cccc3)Cl","OC(c1ccc(cc1)Cl)(c2cncnc2)c3c(cccc3)Cl","OC(c1ccc(cc1)Cl)(c2cncnc2)c3c(cccc3)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4985,553,"AZACONAZOL","60207-31-0",null,"Clc1cc(c(cc1)C2(OCCO2)Cn3ncnc3)Cl","Clc1cc(c(cc1)C2(OCCO2)Cn3ncnc3)Cl","Clc1cc(c(cc1)C2(OCCO2)Cn3ncnc3)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4986,1324,"PROPICONAZOLE","60207-90-1","CCCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl","CCCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl","CCCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl","CCCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4987,null,"1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-","60207-93-4",null,"CCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl",null,"CCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[4988,845,"2,3',4,6-TETRACHLOROBIPHENYL","60233-24-1","Clc1cc(ccc1)-c2c(cc(cc2Cl)Cl)Cl","Clc1cc(ccc1)-c2c(cc(cc2Cl)Cl)Cl","Clc1cc(ccc1)-c2c(cc(cc2Cl)Cl)Cl","Clc1cc(ccc1)-c2c(cc(cc2Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4989,807,"1,1'-Biphenyl, 2,2',3,4',6'-pentachloro-","60233-25-2","Clc1cc(c(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4990,null,"Phosphorothioic acid, O-(dichloro(methylthio)phe","60238-56-4",null,"CCOP(=S)(OCC)Oc1cc(c(c(c1)Cl)Cl)SC",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4991,null,"o-Diselenane-3,6-dicarboxylic acid, trans-(+)-","60295-67-2","O=C(O)C1[Se][Se]C(CC1)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Eliminate","-",null,"Stereochemistry removed, Unusual elements"]
[4992,76,"Benzeneacetic acid, .alpha.-(ethylthio)-","60340-41-2","CCSC(C(=O)O)c1ccccc1",null,"CCSC(C(=O)O)c1ccccc1","CCSC(C(=O)O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[4993,null,"Heptanoic acid, 2,4-dioxo-","60415-20-5","CCCC(=O)CC(=O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4994,null,"Octanoic acid, 2,4-dioxo-","60415-21-6","CCCCC(=O)CC(=O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[4995,1211,"Furmecyclox","60568-05-0","CON(C(=O)c1c(oc(c1)C)C)C2CCCCC2","CON(C(=O)c1c(oc(c1)C)C)C2CCCCC2","CON(C(=O)c1c(oc(c1)C)C)C2CCCCC2","CON(C(=O)c1c(oc(c1)C)C)C2CCCCC2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[4996,null,"Butanoic acid, 4-amino-2,3-dihydroxy-4-oxo-, [R-","60574-00-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[4997,2072,"1H-Imidazole-4-sulfonic acid","60634-74-4","O=S(=O)(O)c1nc[nH]c1",null,null,"O=S(=O)(O)c1[nH]cnc1",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[4998,null,"Ethanol, 2-(2-butoxyethoxy)-, carbamate","60653-87-4","CCCCOCCOCCO",null,"CCCCOCCOCCOC(=N)O","CCCCOCCOCCOC(=N)O",2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[4999,null,"Glycine, N-[N-(2-bromo-1-oxopropyl)glycyl]-, (.+","60662-64-8",null,"CC(Br)C(=O)NCC(=O)NCC(=O)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5000,null,"barbituricacid,5-et,5-heptyl","60784-70-5",null,"CCCCCCCC1(C(NC(NC1=O)=O)=O)CC",null,"CCCCCCCC1(C(NC(NC1=O)=O)=O)CC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5001,null,"Cyclohexanecarboxamide, 4-methyl-, trans-","60940-94-5","CC1CCC(CC1)C(N)=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[5002,533,"FLUROCHLORIDONE","61213-25-0","O=C1N(CC(C1Cl)CCl)c2cc(ccc2)C(F)(F)F","O=C1N(CC(C1Cl)CCl)c2cc(ccc2)C(F)(F)F","O=C1N(CC(C1Cl)CCl)c2cc(ccc2)C(F)(F)F","O=C1N(CC(C1Cl)CCl)c2cc(ccc2)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5003,1943,"Thiourea, cyano-","61296-28-4","N#CNC(N)=S",null,"N#CNC(=N)S","N#CNC(=N)S",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5004,892,"2',3,4-Trichlorodiphenyl ether","61328-44-7",null,"Clc1c(cc(cc1)Oc2c(cccc2)Cl)Cl","Clc1c(cc(cc1)Oc2c(cccc2)Cl)Cl","Clc1c(cc(cc1)Oc2c(cccc2)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5005,3223,"Propanoic acid, 2-(1-oxopropoxy)-, methyl ester","61402-72-0","CCC(=O)OC(C)C(=O)OC",null,"CCC(=O)OC(C)C(=O)OC","CCC(=O)OC(C)C(=O)OC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5006,1356,"Dimepiperate","61432-55-1","CC(C)(SC(=O)N1CCCCC1)c2ccccc2","CC(C)(SC(=O)N1CCCCC1)c2ccccc2","CC(C)(SC(=O)N1CCCCC1)c2ccccc2","CC(C)(SC(=O)N1CCCCC1)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5007,3198,"1H-Imidazole, 2-(2-methylpropyl)-","61491-92-7","CC(C)Cc1[nH]ccn1","CC(C)Cc1[nH]ccn1","CC(C)Cc1[nH]ccn1","CC(C)Cc1[nH]ccn1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5008,613,"Tifatol","61676-87-7","Cc1cc(c(cc1)N=c2n(ccs2)C)C","Cc1cc(c(cc1)N=c2n(ccs2)C)C","Cc1cc(c(cc1)N=c2n(ccs2)C)C","Cc1cc(c(cc1)N=c2n(ccs2)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5009,2549,"Carbamimidothioic acid, trimethyl-, methyl ester","61713-37-9","CN=C(SC)N(C)C",null,null,"CN=C(SC)N(C)C",2,0,2,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed, Checked on PubChem"]
[5010,786,"2,2',3,3',4,6-HEXACHLOROBIPHENYL","61798-70-7","Clc1c(c(ccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5011,4075,"Benzamide, 2,5-dihydroxy-N-(2-hydroxyethyl)-","61969-53-7","O=C(NCCO)c1c(ccc(c1)O)O","O=C(NCCO)c1c(ccc(c1)O)O","O=C(NCCO)c1c(ccc(c1)O)O","O=C(NCCO)c1c(ccc(c1)O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5012,343,"1,3,6-Naphthalenetrisulfonic acid, 4-amino-","61986-93-4","Nc1c2c(c(cc1S(=O)(=O)O)S(=O)(=O)O)ccc(S(=O)(=O)O)c2",null,"Nc1c2c(c(cc1S(=O)(=O)O)S(=O)(=O)O)ccc(S(=O)(=O)O)c2","Nc1c2c(c(cc1S(=O)(=O)O)S(=O)(=O)O)ccc(S(=O)(=O)O)c2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5013,null,"Benzenemethanol, 2,3(or 3,4)-dichloro-, methyl c","62046-37-1",null,"CNC(=O)OCc1c(c(ccc1)Cl)Cl",null,null,1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on ChemID"]
[5014,null,"1,3-Benzodioxole-5-acetic acid, .alpha.-oxo-","62396-98-9","O=C(O)C(=O)c1cc2c(cc1)OCO2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5015,3238,"Methacrifos","62610-77-9","COC(=O)C(C)=COP(=S)(OC)OC","COC(=O)C(C)=COP(=S)(OC)OC","COC(=O)C(C)=COP(=S)(OC)OC","COC(=O)C(C)=COP(=S)(OC)OC",4,0,0,"NO","NO","Mantain","High Reliability","4515","Stereochemistry removed"]
[5016,445,"Urea, N-butyl-N-phenyl","62641-29-6",null,"CCCCN(C(N)=O)c1ccccc1","CCCCN(C(=N)O)c1ccccc1","CCCCN(C(=N)O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5017,842,"2,2',4,6-TETRACHLOROBIPHENYL","62796-65-0","Clc1cc(c(c(c1)Cl)-c2c(cccc2)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(cccc2)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(cccc2)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(cccc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5018,1058,"FENOTHIOCARB","62850-32-2","CN(C)C(=O)SCCCCOc1ccccc1","CN(C)C(=O)SCCCCOc1ccccc1","CN(C)C(=O)SCCCCOc1ccccc1","CN(C)C(=O)SCCCCOc1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5019,513,"Diclomezine","62865-36-5","Cc1c(cc(cc1Cl)-c2n[nH]c(cc2)=O)Cl","Cc1c(cc(cc1Cl)-c2n[nH]c(cc2)=O)Cl","Cc1c(cc(cc1Cl)-c2nnc(cc2)O)Cl","Cc1c(cc(cc1Cl)-c2nnc(cc2)O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5020,1386,"FLUMETRALIN","62924-70-3","CCN(Cc1c(cccc1F)Cl)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCN(Cc1c(cccc1F)Cl)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCN(Cc1c(cccc1F)Cl)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCN(Cc1c(cccc1F)Cl)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5021,null,"Benz[a]anthracene, 8,9,10,11-tetrahydro-7-methyl","63020-38-2",null,null,"Cc1c2c(cc3c1CCCC3)c4c(cc2)cccc4","Cc1c2c(cc3c1CCCC3)c4c(cc2)cccc4",2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[5022,null,"benzeneacetonitrile,alpha-((cyanomethoxy)imino)","63278-33-1",null,"N#CCON=C(C#N)c1ccccc1",null,"N#CCON=C(C#N)c1ccccc1",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[5023,null,"5-pyrimidinemethanol,.alpha.-(2-chlorophenyl)-.","63284-71-9",null,"OC(c1ccc(cc1)F)(c2cncnc2)c3c(cccc3)Cl",null,"OC(c1ccc(cc1)F)(c2cncnc2)c3c(cccc3)Cl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5024,883,"3,4,4'-Trichlorodiphenyl ether","63646-51-5",null,"Clc1ccc(cc1)Oc2cc(c(cc2)Cl)Cl","Clc1ccc(cc1)Oc2cc(c(cc2)Cl)Cl","Clc1ccc(cc1)Oc2cc(c(cc2)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5025,3758,"Pentanamide, 2-bromo-2-propyl-","63718-48-9","CCCC(Br)(CCC)C(N)=O",null,"CCCC(Br)(CCC)C(=N)O","CCCC(Br)(CCC)C(=N)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5026,1474,"Flamprop-M-methyl","63729-98-6","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",4,0,0,"NO","NO","Mantain","High Reliability","4863","Stereochemistry removed"]
[5027,1630,"Flamprop-M-isopropyl","63782-90-1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",4,0,0,"NO","NO","Mantain","High Reliability","4862, 4952","Stereochemistry removed"]
[5028,1560,"DIOFENOLAN","63837-33-2","CCC1OC(CO1)COc2ccc(cc2)Oc3ccccc3","CCC1OC(CO1)COc2ccc(cc2)Oc3ccccc3","CCC1OC(CO1)COc2ccc(cc2)Oc3ccccc3","CCC1OC(CO1)COc2ccc(cc2)Oc3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5029,null,"1h-purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-","63906-63-8",null,"CCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",null,"CCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5030,2390,"Ethanamine, N,2-dichloro-N-(2-chloroethyl)-","63915-60-6","ClCCN(Cl)CCCl","ClCCN(Cl)CCCl","ClCCN(Cl)CCCl","ClCCN(Cl)CCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5031,1867,"CYCLOPROTHRIN","63935-38-6","CCOc1ccc(cc1)C2(C(C2)(Cl)Cl)C(=O)OC(C#N)c3cc(ccc3)Oc4ccccc4","CCOc1ccc(cc1)C2(C(C2)(Cl)Cl)C(=O)OC(C#N)c3cc(ccc3)Oc4ccccc4","CCOc1ccc(cc1)C2(C(C2)(Cl)Cl)C(=O)OC(C#N)c3cc(ccc3)Oc4ccccc4","CCOc1ccc(cc1)C2(C(C2)(Cl)Cl)C(=O)OC(C#N)c3cc(ccc3)Oc4ccccc4",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5032,null,"1-Piperazinecarboxylic acid, 4,4'-methylenebis-,","63981-46-4",null,"CCOC(=O)N1CCN(CC1)CN2CCN(CC2)C(=O)OCC",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5033,null,"1(1H)-ISOBENZOFURANONE-3-I-PROPYL","64002-57-9",{"$nulls":3},"CC(C)C1c2c(C(O1)=O)cccc2",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5034,null,"1(2h)-pyrimidinecarboxamide,n-butyl-5-fluoro-3,","64098-82-4",null,"CCCCNC(=O)n1c([nH]c(c(c1)F)=O)=O",null,"CCCCNC(=O)n1c([nH]c(c(c1)F)=O)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5035,1050,"ANILOFOS","64249-01-0","COP(=S)(OC)SCC(=O)N(c1ccc(cc1)Cl)C(C)C","COP(=S)(OC)SCC(=O)N(c1ccc(cc1)Cl)C(C)C","COP(=S)(OC)SCC(=O)N(c1ccc(cc1)Cl)C(C)C","COP(=S)(OC)SCC(=O)N(c1ccc(cc1)Cl)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5036,1786,"Fenpropathrin","64257-84-7","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C",4,0,0,"NO","NO","Mantain","High Reliability","4714"]
[5037,1874,"GLYCOURSODEOXYCHOLIC ACID","64480-66-6","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",null,null,2,0,2,"NO","NO","Mantain","High Reliability","2607","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[5038,4147,"Ethiozin","64529-56-2","CCSc1n(c(c(nn1)C(C)(C)C)=O)N","CCSc1n(c(c(nn1)C(C)(C)C)=O)N","CCSc1n(c(c(nn1)C(C)(C)C)=O)N","CCSc1n(c(c(nn1)C(C)(C)C)=O)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5039,1265,"Triflumuron","64628-44-0","O=C(NC(=O)c1c(cccc1)Cl)Nc2ccc(cc2)OC(F)(F)F","O=C(NC(=O)c1c(cccc1)Cl)Nc2ccc(cc2)OC(F)(F)F","O=C(NC(=O)c1c(cccc1)Cl)Nc2ccc(cc2)OC(F)(F)F","O=C(NC(=O)c1c(cccc1)Cl)Nc2ccc(cc2)OC(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5040,null,"3,5-Piperidinedicarbonitrile, 4-butyl-4-methyl-2","64635-92-3",null,"CCCCC1(C(C(NC(C1C#N)=O)=O)C#N)C",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5041,4317,"ACETAMIDE, 2-(BENZOYLOXY)-","64649-43-0","NC(=O)COC(=O)c1ccccc1",null,"NC(=O)COC(=O)c1ccccc1","NC(=O)COC(=O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5042,401,"ACETAMIDE, 2-(BENZOYLOXY)-N-ETHYL-","64649-57-6","CCNC(=O)COC(=O)c1ccccc1",null,"CCNC(=O)COC(=O)c1ccccc1","CCNC(=O)COC(=O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5043,1037,"BENZOIC ACID, 2-(DIETHYLAMINO)-2-OXOETHYL ESTER","64649-63-4","CCN(CC)C(=O)COC(=O)c1ccccc1",null,null,"CCN(CC)C(=O)COC(=O)c1ccccc1",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[5044,null,"Benzenesulfonamide, 4-amino-N-(3,5-dimethyl-4-is","64682-95-7",{"$nulls":3},"Cc1c(c(on1)C)NS(=O)(=O)c2ccc(cc2)N",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5045,null,"DL-Alanine, N-ethyl-","64991-30-6","CCNC(C)C(=O)O",null,null,"CCNC(C)C(=O)O",2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Stereochemistry removed"]
[5046,null,"7H-Purine-7-carboxylic acid, 1,2,3,6-tetrahydro-","65029-15-4","O=C(O)n1c2c(nc1)NCNC2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5047,885,"2,4',5-Trichlorodiphenyl ether","65075-00-5",null,null,"Clc1ccc(cc1)Oc2c(ccc(c2)Cl)Cl","Clc1ccc(cc1)Oc2c(ccc(c2)Cl)Cl",2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5048,null,"Spiro[benzofuran-2(3H), 1'-[2]cyclohexene]-3,4'-","65267-24-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5049,null,"Spiro[benzofuran-2(3H), 1'-[3]cyclohexene]-2',3-","65267-25-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5050,null,"Spiro[benzofuran-2(3H), 1'-[2]cyclohexene]-3,4'-","65267-26-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5051,null,"Spiro[benzofuran-2(3H), 1'-[3]cyclohexene]-2',3-","65267-27-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5052,null,"2,4(1h,3h)-pyrimidinedione,5-aminodihydro-1,3-d","65413-42-5",null,"CN1C(N(C(C(C1=O)N)=S)C)=O",null,"CN1C(N(C(C(C1=O)N)=S)C)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5053,798,"2,2',3,4,4'-PENTACHLOROBIPHENYL","65510-45-4","Clc1cc(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5054,3029,"4(1H)-Pteridinethione","65882-61-3","S=c1c2c([nH]cn1)nccn2",null,"S=c1c2c([nH]cn1)nccn2","S=c1c2c([nH]cn1)nccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5055,1576,"FURATHIOCARB","65907-30-4","CCCCOC(=O)N(C)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C","CCCCOC(=O)N(C)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C","CCCCOC(=O)N(C)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C","CCCCOC(=O)N(C)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5056,null,"1,3-Propanediol, 2-nitro-1-phenyl-, diacetate (e","65934-94-3",null,"CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+](=O)[O-]",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5057,1024,"Fenitropan","65934-95-4","CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+](=O)[O-]","CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+](=O)[O-]",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[5058,1635,"PENCYCURON","66063-05-6","O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3","O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3","O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3","O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5059,1860,"ESFENVALERATE","66230-04-4","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl",4,0,0,"NO","NO","Mantain","High Reliability","4818","Stereochemistry removed"]
[5060,1017,"Penconazole","66246-88-6","CCCC(Cn1ncnc1)c2c(cc(cc2)Cl)Cl","CCCC(Cn1ncnc1)c2c(cc(cc2)Cl)Cl","CCCC(Cn1ncnc1)c2c(cc(cc2)Cl)Cl","CCCC(Cn1ncnc1)c2c(cc(cc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5061,null,"2-Butenedioic acid, 2-methyl-, 4-ethyl ester, (E","66261-38-9",{"$nulls":3},"C=C(CC(=O)O)C(=O)OCC",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5062,4073,"Glycine, N-(2-furanylcarbonyl)-, ethyl ester","66318-15-8","CCOC(=O)CNC(=O)c1occc1",null,"CCOC(=O)CNC(=O)c1occc1","CCOC(=O)CNC(=O)c1occc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5063,1479,"Flutolanil","66332-96-5","CC(C)Oc1cc(ccc1)NC(=O)c2c(cccc2)C(F)(F)F","CC(C)Oc1cc(ccc1)NC(=O)c2c(cccc2)C(F)(F)F","CC(C)Oc1cc(ccc1)NC(=O)c2c(cccc2)C(F)(F)F","CC(C)Oc1cc(ccc1)NC(=O)c2c(cccc2)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5064,null,"Benzoic acid, 4-(2,4-diaminophenylazo)-, methyl","66371-02-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5065,2374,"Butanoic acid, 4-amino-2-hydroxy-4-oxo-","66398-52-5","NC(=O)CC(O)C(=O)O","NC(=O)CC(O)C(=O)O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","4943","Checked on ChemID, Checked on PubChem"]
[5066,1549,"Fenoxaprop ethyl","66441-23-4","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",4,0,0,"NO","NO","Mantain","High Reliability","5161, 5274"]
[5067,887,"3,3',4-Trichlorodiphenyl ether","66794-60-3",null,"Clc1cc(ccc1)Oc2cc(c(cc2)Cl)Cl","Clc1cc(ccc1)Oc2cc(c(cc2)Cl)Cl","Clc1cc(ccc1)Oc2cc(c(cc2)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5068,1774,"TRALOMETHRIN","66841-25-6","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C(Br)C(Br)(Br)Br)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C(Br)C(Br)(Br)Br)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C(Br)C(Br)(Br)Br)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C(Br)C(Br)(Br)Br)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5069,2748,"Pentanamide, N-(aminocarbonyl)-2-bromo-","66947-87-3","CCCC(Br)C(=O)NC(N)=O",null,"CCCC(Br)C(O)=NC(=N)O","CCCC(Br)C(O)=NC(=N)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5070,201,"4-Cycloocten-1-amine, N,N-dimethyl-","66950-37-6","CN(C)C1CCCC=CCC1",null,"CN(C)C1CCCC=CCC1","CN(C)C1CCCC=CCC1",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[5071,4077,"Methasulfocarb","66952-49-6","CNC(=O)Sc1ccc(cc1)OS(C)(=O)=O","CNC(=O)Sc1ccc(cc1)OS(C)(=O)=O","CN=C(O)Sc1ccc(cc1)OS(C)(=O)=O","CN=C(O)Sc1ccc(cc1)OS(C)(=O)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5072,3604,"Cyclopentanecarbonitrile, 1-methyl-2-oxo-","66984-18-7","CC1(C(CCC1)=O)C#N",null,"CC1(C(CCC1)=O)C#N","CC1(C(CCC1)=O)C#N",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5073,765,"1,2,3,7-TETRACHLORODIBENZODIOXIN","67028-18-6","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)c(Cl)c3Cl","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)c(Cl)c3Cl","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)c(Cl)c3Cl","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)c(Cl)c3Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5074,null,"2,4,6(1h,3h,5h)-pyrimidinetrione,5-methyl-5-(3-","67051-30-3",null,"CC(C)CCC1(C(NC(NC1=O)=O)=O)C",null,"CC(C)CCC1(C(NC(NC1=O)=O)=O)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5075,1161,"Metazachlor","67129-08-2","Cc1c(c(ccc1)C)N(Cn2nccc2)C(=O)CCl","Cc1c(c(ccc1)C)N(Cn2nccc2)C(=O)CCl","Cc1c(c(ccc1)C)N(Cn2nccc2)C(=O)CCl","Cc1c(c(ccc1)C)N(Cn2nccc2)C(=O)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5076,3799,"Urea, (1,1-diethylpropyl)-","67216-85-7","CCC(CC)(CC)NC(N)=O",null,"CCC(CC)(CC)NC(=N)O","CCC(CC)(CC)NC(=N)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5077,null,"Benzenepropanoic acid, .beta.-[(carboxymethyl)th","67242-91-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5078,null,"1,2-Benzisothiazole, 2,3-dihydro-2-methyl-, 1,1-","67299-16-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5079,1720,"Fenpropimorph","67306-03-0","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C",4,0,0,"NO","NO","Mantain","High Reliability","5085","Stereochemistry removed"]
[5080,null,"Glycine, N-[(2-methyl-5-nitrophenyl)sulfonyl]-","67320-39-2","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)NCC(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5081,null,"L-Alanine, N-[(2-methyl-5-nitrophenyl)sulfonyl]-","67320-40-5","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)NC(C)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[5082,1775,"alpha-Cypermethrin","67375-30-8",null,"CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",3,0,1,"NO","NO","Mantain","Medium Reliability","4831","Stereochemistry removed"]
[5083,1861,"HYDRAMETHYLNON","67485-29-4","CC1(CNC(=NC1)NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F)C","CC1(CNC(=NC1)NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F)C","CC1(CNC(NC1)=NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F)C","CC1(CNC(NC1)=NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5084,960,"DIBENZOFURAN, 1,2,3,4,6,7,8-HEPTACHLORO-","67562-39-4","Clc1c(c(c2c(c1)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl","Clc1c(c(c2c(c1)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl","Clc1c(c(c2c(c1)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl","Clc1c(c(c2c(c1)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5085,1720,"Fenpropimorph","67564-91-4","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C",4,0,0,"NO","NO","Mantain","High Reliability","5079","Stereochemistry removed"]
[5086,762,"Dibenzofuran, 2,3,7,8-tetrabromo-","67733-57-7","Brc1c(cc2c(c1)oc3c2cc(c(c3)Br)Br)Br","Brc1c(cc2c(c1)oc3c2cc(c(c3)Br)Br)Br","Brc1c(cc2c(c1)oc3c2cc(c(c3)Br)Br)Br","Brc1c(cc2c(c1)oc3c2cc(c(c3)Br)Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5087,1314,"PROCHLORAZ","67747-09-5","CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2cncc2","CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2cncc2","CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2cncc2","CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2cncc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5088,1525,"BENZENE, C10-13-ALKYL DERIVS.","67774-74-7","CCCCCCCCCCCc1ccccc1","CCCCCCCCCCCc1ccccc1",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5089,null,"glycine,n-(aminocarbonyl)-n-nitroso-,ethylest","67792-85-2",null,"CCOC(=O)CN(N=O)C(N)=O",null,"CCOC(=O)CN(N=O)C(N)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5090,null,"ethanamine,n-(2,2-diethoxyethyl)-2,2-diethoxy-n","67856-67-1",null,"CCOC(CN(CC(OCC)OCC)N=O)OCC",null,"CCOC(CN(CC(OCC)OCC)N=O)OCC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5091,719,"Ethanamine, N-(2,2-diethoxyethyl)-2,2-diethoxy-","67856-69-3","CCOC(CNCC(OCC)OCC)OCC","CCOC(CNCC(OCC)OCC)OCC","CCOC(CNCC(OCC)OCC)OCC","CCOC(CNCC(OCC)OCC)OCC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5092,795,"2,2',4,5,5'-PENTABROMOBIPHENYL","67888-96-4","Brc1cc(c(cc1)Br)-c2c(cc(c(c2)Br)Br)Br","Brc1cc(c(cc1)Br)-c2c(cc(c(c2)Br)Br)Br","Brc1cc(c(cc1)Br)-c2c(cc(c(c2)Br)Br)Br","Brc1cc(c(cc1)Br)-c2c(cc(c(c2)Br)Br)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5093,null,"1-hexen-3-ol,(.+-.)-","67928-93-2",null,"C=CC(O)CCC",null,"C=CC(O)CCC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5094,3887,"1,7-Naphthyridin-8(7H)-one","67967-11-7","O=c1c2c(cc[nH]1)cccn2",null,"O=c1c2c(cc[nH]1)cccn2","O=c1c2c(cc[nH]1)cccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5095,1293,"AZAFENIDIN","68049-83-2","C#CCOc1c(cc(c(c1)-n2c(n3c(n2)CCCC3)=O)Cl)Cl","C#CCOc1c(cc(c(c1)-n2c(n3c(n2)CCCC3)=O)Cl)Cl","C#CCOc1c(cc(c(c1)-n2c(n3c(n2)CCCC3)=O)Cl)Cl","C#CCOc1c(cc(c(c1)-n2c(n3c(n2)CCCC3)=O)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5096,1820,"CYHALOTHRIN","68085-85-8","CC1(C(C1C=C(Cl)C(F)(F)F)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C","CC1(C(C1C=C(Cl)C(F)(F)F)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",null,"CC1(C(C1C=C(Cl)C(F)(F)F)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[5097,1693,"AZO DYE RA","68133-69-7",null,"CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2sc3c(n2)ccc([N+](=O)[O-])c3","CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2sc3c(n2)ccc([N+](=O)[O-])c3","CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2sc3c(n2)ccc([N+](=O)[O-])c3",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5098,536,"Forchlorfenuron","68157-60-8","O=C(Nc1ccccc1)Nc2cc(ncc2)Cl","O=C(Nc1ccccc1)Nc2cc(ncc2)Cl","O=C(Nc1ccccc1)Nc2cc(ncc2)Cl","O=C(Nc1ccccc1)Nc2cc(ncc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5099,840,"2,2',4,6'-TETRACHLOROBIPHENYL","68194-04-7","Clc1cc(c(cc1)-c2c(cccc2Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cccc2Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cccc2Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cccc2Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5100,799,"2,2',3,4',6-PENTACHLOROBIPHENYL","68194-05-8","Clc1cc(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5101,801,"1,1'-Biphenyl, 2,2',3,4',5-pentachloro-","68194-07-0","Clc1cc(c(cc1)-c2c(c(cc(c2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(cc(c2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(cc(c2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(cc(c2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5102,818,"1,1'-Biphenyl, 2,3,3',5',6-pentachloro-","68194-10-5","Clc1cc(cc(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5103,815,"1,1'-Biphenyl, 2,3,4',5,6-pentachloro-","68194-11-6","Clc1ccc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5104,811,"2,3',4,5,5'-PENTACHLOROBIPHENYL","68194-12-7","Clc1cc(cc(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5105,772,"1,1'-Biphenyl, 2,2',3,4,5',6-hexachloro-","68194-14-9","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5106,782,"2,2',3,4,5,6'-HEXACHLOROBIPHENYL","68194-15-0","Clc1c(c(c(c(c1)-c2c(cccc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(cccc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(cccc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(cccc2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5107,731,"2,2',3,3',4,5,5',6-OCTACHLOROBIPHENYL","68194-17-2","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5108,null,"proglinazineethyl","68228-18-2",null,"CCOC(=O)CNc1nc(nc(n1)Cl)NC(C)C",null,"CCOC(=O)CNc1nc(nc(n1)Cl)NC(C)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5109,1328,"Guanidine, N,N'-bis(4-methoxyphenyl)-","68339-75-3","COc1ccc(cc1)NC(=N)Nc2ccc(cc2)OC",null,"COc1ccc(cc1)NC(=N)Nc2ccc(cc2)OC","COc1ccc(cc1)NC(=N)Nc2ccc(cc2)OC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5110,1771,"CYFLUTHRIN","68359-37-5","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(c(cc2)F)Oc3ccccc3)C","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(c(cc2)F)Oc3ccccc3)C","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(c(cc2)F)Oc3ccccc3)C","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(c(cc2)F)Oc3ccccc3)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5111,656,"BENFURESATE","68505-69-1","CCS(=O)(=O)Oc1cc2c(cc1)OCC2(C)C","CCS(=O)(=O)Oc1cc2c(cc1)OCC2(C)C","CCS(=O)(=O)Oc1cc2c(cc1)OCC2(C)C","CCS(=O)(=O)Oc1cc2c(cc1)OCC2(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5112,null,"ALKYLBENZENE (C10-C15)","68648-87-3",null,"CCCCCCCCCCCCCc1ccccc1",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5113,null,"ACETAMIDE, N-ACETYL-2-(BENZOYLOXY)-","68659-48-3","CC(=O)NC(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5114,1305,"TRIFLUMIZOLE","68694-11-1","CCCOCC(=Nc1c(cc(cc1)Cl)C(F)(F)F)n2cncc2","CCCOCC(=Nc1c(cc(cc1)Cl)C(F)(F)F)n2cncc2","CCCOCC(=Nc1c(cc(cc1)Cl)C(F)(F)F)n2cncc2","CCCOCC(=Nc1c(cc(cc1)Cl)C(F)(F)F)n2cncc2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5115,890,"2,2',4-Trichlorodiphenyl ether","68914-97-6",null,"Clc1cc(c(cc1)Oc2c(cccc2)Cl)Cl","Clc1cc(c(cc1)Oc2c(cccc2)Cl)Cl","Clc1cc(c(cc1)Oc2c(cccc2)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5116,null,"Benzoic acid anilide, 2-ethoxy-N-hydroxy","69079-96-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5117,1449,"Buprofezin","69327-76-0","CC(C)N1C(SCN(C1=O)c2ccccc2)=NC(C)(C)C","CC(C)N1C(SCN(C1=O)c2ccccc2)=NC(C)(C)C","CC(C)N1C(SCN(C1=O)c2ccccc2)=NC(C)(C)C","CC(C)N1C(SCN(C1=O)c2ccccc2)=NC(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5118,null,"Benzenesulfonamide, 2-cyano-N-phenyl-","69360-16-3","N#Cc1c(cccc1)S(=O)(=O)Nc2ccccc2",null,"N#Cc1c(cccc1)S(=O)(=O)Nc2ccccc2",null,2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[5119,3385,"Fluroxypyr","69377-81-7","Nc1c(c(nc(c1Cl)F)OCC(=O)O)Cl","Nc1c(c(nc(c1Cl)F)OCC(=O)O)Cl","Nc1c(c(nc(c1Cl)F)OCC(=O)O)Cl","Nc1c(c(nc(c1Cl)F)OCC(=O)O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5120,1870,"FLUVALINATE","69409-94-5","CC(C)C(Nc1c(cc(cc1)C(F)(F)F)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3","CC(C)C(Nc1c(cc(cc1)C(F)(F)F)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3","CC(C)C(Nc1c(cc(cc1)C(F)(F)F)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3","CC(C)C(Nc1c(cc(cc1)C(F)(F)F)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5121,1928,"Ethanol, 2-bromo-2,2-dichloro-","69497-24-1","OCC(Cl)(Cl)Br",null,"OCC(Cl)(Cl)Br","OCC(Cl)(Cl)Br",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5122,1146,"Cyprofuram","69581-33-5","O=C1C(CCO1)N(C(=O)C2CC2)c3cc(ccc3)Cl","O=C1C(CCO1)N(C(=O)C2CC2)c3cc(ccc3)Cl","O=C1C(CCO1)N(C(=O)C2CC2)c3cc(ccc3)Cl","O=C1C(CCO1)N(C(=O)C2CC2)c3cc(ccc3)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5123,3704,"2,2,4-Pentanetricarboxylic acid","69646-36-2","CC(CC(C)(C(=O)O)C(=O)O)C(=O)O",null,"CC(CC(C)(C(=O)O)C(=O)O)C(=O)O","CC(CC(C)(C(=O)O)C(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5124,null,"Cyclohexanecarboxylic acid, 1-hydroxy-2-methyl-","69687-19-0","CC1C(CCCC1)(O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5125,null,"2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-bis(1-m","69695-04-1",{"$nulls":3},"CC(C)C1OCC2(CO1)COC(OC2)C(C)C",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5126,2585,"2-Furancarboxylic acid, 3,4-dichloro-","69727-40-8","O=C(O)c1c(c(co1)Cl)Cl","O=C(O)c1c(c(co1)Cl)Cl","O=C(O)c1c(c(co1)Cl)Cl","O=C(O)c1c(c(co1)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5127,null,"Benzenamine, 2,4-dichloro-N-nitro-","69732-99-6","O=[N+]([O-])Nc1c(cc(cc1)Cl)Cl",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5128,null,"1,1'-Biphenyl, 2,3,3',4',5,5',6-heptachloro-","69782-91-8","Clc1c(c(cc(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",3,1,0,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[5129,1273,"HALOXYFOP","69806-34-4","CC(Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl)C(=O)O","CC(Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl)C(=O)O","CC(Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl)C(=O)O","CC(Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[5130,1392,"HALOXYFOP-METHYL","69806-40-2","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5131,1631,"fluazifop-butyl","69806-50-4",null,"CCCCOC(=O)C(C)Oc1ccc(cc1)Oc2ncc(cc2)C(F)(F)F",null,"CCCCOC(=O)C(C)Oc1ccc(cc1)Oc2ncc(cc2)C(F)(F)F",2,0,2,"NO","NO","Mantain","Medium Reliability","5252","Name verified in PubChem"]
[5132,null,"benzoicacid,2-[4,5-dihydro-4-methyl-4-(1-methy","69969-22-8",null,"COC(=O)c1c(cc(cc1)C)C=2NC(C(N2)(C)C(C)C)=O",null,"COC(=O)c1c(cc(cc1)C)C=2NC(C(N2)=O)(C)C(C)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5133,null,"benzoicacid,2-[4,5-dihydro-4-methyl-4-(1-methy","69969-62-6",null,"COC(=O)c1c(ccc(c1)C)C=2NC(C(N2)(C)C(C)C)=O",null,"COC(=O)c1c(ccc(c1)C)C=2NC(C(N2)=O)(C)C(C)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5134,1871,"FLUCYTHRINATE","70124-77-5","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)F","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)F","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)F","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)F",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5135,1210,"3-Pyridinecarboxylic acid, octyl ester","70136-02-6","CCCCCCCCOC(=O)c1cnccc1","CCCCCCCCOC(=O)c1cnccc1","CCCCCCCCOC(=O)c1cnccc1","CCCCCCCCOC(=O)c1cnccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5136,null,"L-Cysteine, N-acetyl-S-(2-chlorophenyl)-","70278-03-4","CC(=O)NC(CSc1c(cccc1)Cl)C(=O)O",null,"CC(=O)NC(CSc1c(cccc1)Cl)C(=O)O",null,2,0,2,"NO","NO","Manual Check","VErify correctness of CAS; Search at least one confirmation",null,"Stereochemistry removed"]
[5137,852,"1,1'-Biphenyl, 2,2',3,6-tetrachloro-","70362-45-7","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5138,null,"1,1'-BIPHENYL, 2,2',3,5-TETRACHLORO-","70362-46-8","Clc1cc(c(c(c1)Cl)Cl)-c2c(cccc2)Cl","Clc1cc(c(cc1)Cl)-c2c(c(ccc2)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(cccc2)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(cccc2)Cl",3,1,0,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[5139,857,"2,2'4,5-TETRACHLOROBIPHENYL","70362-47-9","Clc1c(cc(c(c1)Cl)-c2c(cccc2)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(cccc2)Cl)Cl",null,"Clc1c(cc(c(c1)Cl)-c2c(cccc2)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5140,null,"2,3',4',5-Tetrachlorobiphenyl","70362-48-0","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl","Clc1c(cccc1)-c2cc(c(c(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl","Clc1c(cccc1)-c2cc(c(c(c2)Cl)Cl)Cl",2,2,0,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5141,null,"1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-3-methyl","70404-40-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5142,809,"2',3,4,5,5'-Pentachlorobiphenyl","70424-70-3","Clc1cc(c(cc1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5143,1800,"Novantrone","70476-82-3","O=C1c2c(C(c3c1c(O)ccc3O)=O)c(NCCNCCO)ccc2NCCNCCO","O=C1c2c(C(c3c1c(O)ccc3O)=O)c(NCCNCCO)ccc2NCCNCCO","O=C1c2c(C(c3c1c(O)ccc3O)=O)c(NCCNCCO)ccc2NCCNCCO","O=C1c2c(C(c3c1c(O)ccc3O)=O)c(NCCNCCO)ccc2NCCNCCO",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[5144,null,"DL-Alanine, N-[(ethylthio)thioxomethyl]-","70561-60-3","CCSC(=S)NC(C)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5145,null,"Bitertanol stereoisomer A","70585-36-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Isomeric mix, Missing/ambiguous"]
[5146,1355,"Metalaxyl-M","70630-17-0",null,null,"COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC",2,0,2,"NO","NO","Mantain","High Reliability","4950","Stereochemistry removed, Checked on ChemID, Checked on PubChem"]
[5147,null,"1,3,2-Oxazaphosphepin-2(3H)-amine, N,N-bis(2-chl","70772-73-5",null,"O=P1(OCCCCN1)N(CCCl)CCCl",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5148,null,"Acetamide, N-[4-[[(4-methyl-2-thiazolyl)amino]su","71119-13-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5149,null,"Benzenesulfonamide, 4-amino-N-(2,3-dihydro-1,5-d","71119-16-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5150,null,"Benzenesulfonamide, 4-amino-N-(3-ethoxy-2-pyridi","71119-19-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5151,null,"Benzenesulfonamide, 4-amino-N-(5-iodo-2-pyridiny","71119-21-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5152,null,"Benzenesulfonamide, 4-amino-N-[4-(diethylamino)-","71119-24-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5153,null,"Benzenesulfonamide, 4-amino-N-(5-amino-1,3,4-thi","71119-25-0",{"$nulls":3},"Nc1ccc(cc1)S(=O)(=O)Nc2sc(nn2)N",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5154,null,"benzenesulfonamide,4-amino-n-(5-propyl-1,3,4-th","71119-32-9",null,"CCCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",null,"CCCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5155,null,"Benzenesulfonamide, 4-amino-N-(5,6,7,8-tetrahydr","71119-34-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5156,null,"Benzenesulfonamide, 4-amino-N-[5,6,7,8-tetrahydr","71119-36-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5157,null,"Benzenesulfonamide, 4-amino-N-(2-amino-5-pyrimid","71119-38-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5158,null,"Benzenesulfonamide, N,N'-2,5-pyrimidinediylbis[4","71119-39-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5159,null,"benzenesulfonamide,4-amino-n-(4-ethoxy-2-pyrimi","71138-72-2",null,"CCOc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",null,"CCOc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5160,null,"Butanamide, 2-chloro-2-ethyl-","71203-44-6","CCC(Cl)(CC)C(N)=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5161,1549,"Fenoxaprop-ethyl","71283-80-2","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",4,0,0,"NO","NO","Mantain","High Reliability","5066, 5274","Stereochemistry removed"]
[5162,688,"1-HEXYL-4-METHOXYCARBONYL-2-PYRROLIDONE","71548-53-3","CCCCCCN1C(CC(C1)C(=O)OC)=O","CCCCCCN1C(CC(C1)C(=O)OC)=O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5163,1689,"Pyrazoxyfen","71561-11-0","Cc1c(c(n(n1)C)OCC(=O)c2ccccc2)C(=O)c3c(cc(cc3)Cl)Cl","Cc1c(c(n(n1)C)OCC(=O)c2ccccc2)C(=O)c3c(cc(cc3)Cl)Cl","Cc1c(c(n(n1)C)OCC(=O)c2ccccc2)C(=O)c3c(cc(cc3)Cl)Cl","Cc1c(c(n(n1)C)OCC(=O)c2ccccc2)C(=O)c3c(cc(cc3)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5164,1701,"BENALAXYL","71626-11-4","COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(cccc2C)C","COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(cccc2C)C","COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(cccc2C)C","COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(cccc2C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5165,null,"cyclopropanecarboxylicacid,3-(2,2-dichloroethe","71697-59-1",null,"CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",null,"CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[5166,null,"Benzenesulfonamide, 4-amino-N-(6-ethoxy-3-pyridi","71720-65-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5167,null,"Benzenesulfonamide, 4-amino-N-(5,6,7,8-tetrahydr","71720-66-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5168,2100,"Propanediamide, 2-(hydroxyimino)-","71721-66-9","NC(=O)C(=NO)C(N)=O","NC(=O)C(=NO)C(N)=O","NC(=O)C(=NO)C(N)=O","NC(=O)C(=NO)C(N)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5169,2208,"2-Propenoic acid, 2,3,3-tribromo-","71815-46-8","O=C(O)C(Br)=C(Br)Br",null,"O=C(O)C(Br)=C(Br)Br","O=C(O)C(Br)=C(Br)Br",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5170,2207,"2-Propenoic acid, 2,3-dibromo-3-iodo-","71815-47-9","O=C(O)C(Br)=C(Br)I",null,"O=C(O)C(Br)=C(Br)I","O=C(O)C(Br)=C(Br)I",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5171,2263,"Ethanesulfonamide, N-(ethylsulfonyl)-","71954-28-4","CCS(=O)(=O)NS(=O)(=O)CC",null,"CCS(=O)(=O)NS(=O)(=O)CC","CCS(=O)(=O)NS(=O)(=O)CC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5172,1266,"FOMESAFEN","72178-02-0","CS(=O)(=O)NC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","CS(=O)(=O)NC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","CS(=O)(=O)NC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","CS(=O)(=O)NC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability","","Differences in counterions"]
[5173,981,"CHLOZOLINATE","72391-46-9","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",4,0,0,"NO","NO","Mantain","High Reliability","5298"]
[5174,275,"TRIAZOXIDE","72459-58-6","[O-][n+]1c2c(nc(n1)-n3cncc3)ccc(Cl)c2","[O-][n+]1c2c(nc(n1)-n3cncc3)ccc(Cl)c2","O=[n+]1[n-]c(-n2ccnc2)nc2ccc(Cl)cc21","O=[n+]1[n-]c(-n2ccnc2)nc2ccc(Cl)cc21",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5175,1496,"FENOXYCARB","72490-01-8","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability","5251"]
[5176,null,"azodyen5","72828-64-9",null,"CCCCN(CCOC(C)=O)c1cc(c(cc1)N=Nc2c(cc(cc2C#N)[N+](=O)[O-])C#N)C",null,"CCCCN(CCOC(C)=O)c1cc(c(cc1)N=Nc2c(cc(cc2C#N)[N+](=O)[O-])C#N)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5177,895,"Flurazole","72850-64-7","O=C(OCc1ccccc1)c2c(nc(s2)Cl)C(F)(F)F","O=C(OCc1ccccc1)c2c(nc(s2)Cl)C(F)(F)F","O=C(OCc1ccccc1)c2c(nc(s2)Cl)C(F)(F)F","O=C(OCc1ccccc1)c2c(nc(s2)Cl)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5178,null,"2-PROPENOIC ACID, 2-METHYL-, 7,7,9(OR 7,9,9)-TRI","72869-86-4",null,"C=C(C)C(=O)OCCOC(=O)NCCC(C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C",null,null,1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on ChemID"]
[5179,4030,"1,2-Benzenediol, 4-(1-propenyl)-","72898-29-4","CC=Cc1cc(c(cc1)O)O",null,null,"CC=Cc1cc(c(cc1)O)O",2,0,2,"NO","NO","Mantain","Medium Reliability","2846","Checked on PubChem"]
[5180,1513,"Imiprothrin","72963-72-5","C#CCN1C(N(C(C1)=O)COC(=O)C2C(C2C=C(C)C)(C)C)=O","C#CCN1C(N(C(C1)=O)COC(=O)C2C(C2C=C(C)C)(C)C)=O","C#CCN1C(N(C(C1)=O)COC(=O)C2C(C2C=C(C)C)(C)C)=O","C#CCN1C(N(C(C1)=O)COC(=O)C2C(C2C=C(C)C)(C)C)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5181,1405,"MEFENACET","73250-68-7","CN(C(=O)COc1sc2c(n1)cccc2)c3ccccc3","CN(C(=O)COc1sc2c(n1)cccc2)c3ccccc3","CN(C(=O)COc1sc2c(n1)cccc2)c3ccccc3","CN(C(=O)COc1sc2c(n1)cccc2)c3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5182,846,"2,3',4,5-TETRACHLOROBIPHENYL","73575-53-8","Clc1cc(ccc1)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(ccc1)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(ccc1)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(ccc1)-c2c(cc(c(c2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5183,820,"1,1'-Biphenyl, 2,2',3,5,6-pentachloro-","73575-56-1","Clc1c(cccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5184,812,"1,1'-Biphenyl, 2,2',3,4,6'-pentachloro-","73575-57-2","Clc1c(c(c(cc1)-c2c(cccc2Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(cccc2Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(cccc2Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(cccc2Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5185,478,"1,6-DIOXASPIRO[4,4]NONANE, 2,7-DIETHYL-","73727-45-4","CCC1OC2(CC1)OC(CC2)CC",null,null,"CCC1OC2(CC1)OC(CC2)CC",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[5186,null,"Propanoic acid, 2-hydroxy-, 2-(hexyloxy)-1-methy","73747-55-4",null,"CCCCCCOC(=O)C(C)OC(=O)C(C)O",null,null,1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on ChemID"]
[5187,3597,"2-Pyrimidinecarboxamide, 4,6-dimethyl-","73937-25-4","Cc1nc(nc(c1)C)C(N)=O",null,"Cc1nc(nc(c1)C)C(N)=O","Cc1nc(nc(c1)C)C(N)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5188,1781,"Ketanserin","74050-98-9","O=C(c1ccc(cc1)F)C2CCN(CC2)CCn3c(c4c([nH]c3=O)cccc4)=O","O=C(c1ccc(cc1)F)C2CCN(CC2)CCn3c(c4c([nH]c3=O)cccc4)=O","O=C(c1ccc(cc1)F)C2CCN(CC2)CCn3c(c4c([nH]c3=O)cccc4)=O","O=C(c1ccc(cc1)F)C2CCN(CC2)CCn3c(c4c([nH]c3=O)cccc4)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5189,null,"Propanedioic acid, [(methylamino)methyl]-2-prope","74059-43-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5190,944,"ACLONIFEN","74070-46-5","Nc1c(c(ccc1[N+](=O)[O-])Oc2ccccc2)Cl","Nc1c(c(ccc1[N+](=O)[O-])Oc2ccccc2)Cl","Nc1c(c(ccc1[N+](=O)[O-])Oc2ccccc2)Cl","Nc1c(c(ccc1[N+](=O)[O-])Oc2ccccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5191,null,"HYDRAZINECARBOXAMIDE, N-(4-ETHOXYPHENYL)-","74099-07-3","CCOc1ccc(cc1)NC(=O)NN",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5192,1239,"CLOFENTEZINE","74115-24-5","Clc1c(cccc1)-c2nnc(nn2)-c3c(cccc3)Cl","Clc1c(cccc1)-c2nnc(nn2)-c3c(cccc3)Cl","Clc1c(cccc1)-c2nnc(nn2)-c3c(cccc3)Cl",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5193,1319,"SULFOMETURON METHYL","74222-97-2","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)C)C","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)C)C","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)C)C","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5194,847,"1,1'-Biphenyl, 2,3,3',4-tetrachloro-","74338-24-2","Clc1cc(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl","Clc1cc(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl","Clc1cc(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl","Clc1cc(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5195,848,"1,1'-Biphenyl, 2,3,4',5-tetrachloro-","74472-34-7","Clc1ccc(cc1)-c2c(c(cc(c2)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(cc(c2)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(cc(c2)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(cc(c2)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5196,814,"1,1'-Biphenyl, 2,3,3',5,6-pentachloro-","74472-36-9","Clc1cc(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5197,817,"2,3,4,4',5-Pentachlorobiphenyl","74472-37-0","Clc1ccc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5198,816,"1,1'-Biphenyl, 2,3,4,4',6-pentachloro-","74472-38-1","Clc1ccc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5199,784,"2,3,3',4,4',6-Hexachlorobiphenyl","74472-42-7","Clc1c(cc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5200,783,"2,3,3',4',5,6-HEXACHLOROBIPHENYL","74472-44-9","Clc1c(cc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5201,779,"1,1'-Biphenyl, 2,3,3',4',5',6-hexachloro-","74472-45-0","Clc1c(c(cc(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5202,781,"2,3,3',5,5',6-HEXACHLOROBIPHENYL","74472-46-1","Clc1cc(cc(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5203,745,"1,1'-Biphenyl, 2,2',3,4,4',5,6-heptachloro-","74472-47-2","Clc1cc(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5204,758,"1,1'-Biphenyl, 2,3,3',4,4',5',6-heptachloro-","74472-50-7","Clc1c(c(cc(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5205,753,"1,1'-Biphenyl, 2,3,3',4,5,5',6-heptachloro-","74472-51-8","Clc1cc(cc(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5206,730,"1,1'-Biphenyl, 2,2',3,4,4',5,6,6'-octachloro-","74472-52-9","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5207,734,"1,1'-Biphenyl, 2,3,3',4,4',5,5',6-octachloro-","74472-53-0","Clc1c(c(cc(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5208,749,"1,1'-Biphenyl, 2,2',3,4',5,6'-heptachloro-","74487-85-7",null,"Clc1cc(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5209,3350,"2,5-Dibromobenzaldehyde","74553-29-0","O=Cc1c(ccc(c1)Br)Br",null,"O=Cc1c(ccc(c1)Br)Br","O=Cc1c(ccc(c1)Br)Br",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5210,4347,"Methanedisulfonic acid, chloro-","74692-14-1","O=S(=O)(O)C(Cl)S(=O)(=O)O",null,"O=S(=O)(O)C(Cl)S(=O)(=O)O","O=S(=O)(O)C(Cl)S(=O)(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5211,null,"Butanedioic acid, propyl-, (.+-.)-","74708-88-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5212,1357,"BROMOBUTIDE","74712-19-9","CC(C)(NC(=O)C(Br)C(C)(C)C)c1ccccc1","CC(C)(NC(=O)C(Br)C(C)(C)C)c1ccccc1","CC(C)(N=C(O)C(Br)C(C)(C)C)c1ccccc1","CC(C)(N=C(O)C(Br)C(C)(C)C)c1ccccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5213,509,"FENPICLONIL","74738-17-3","N#Cc1c(c[nH]c1)-c2c(c(ccc2)Cl)Cl","N#Cc1c(c[nH]c1)-c2c(c(ccc2)Cl)Cl","N#Cc1c(c[nH]c1)-c2c(c(ccc2)Cl)Cl","N#Cc1c(c[nH]c1)-c2c(c(ccc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5214,null,"4-Octanol, (.+-.)-","74778-22-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5215,null,"OXABETRINIL","74782-23-3","N#CC(=NOCC1OCCO1)c2ccccc2","N#CC(=NOCC1OCCO1)c2ccccc2","C#CC(=NOCC1OCCO1)c2ccccc2","C#CC(=NOCC1OCCO1)c2ccccc2",2,2,0,"YES","NO","Eliminate","-",null,"Stereochemistry removed, Missing/ambiguous"]
[5216,null,"diclobutrazolisomers","75736-33-3",null,"CC(C)(C)C(O)C(Cc1c(cc(cc1)Cl)Cl)n2ncnc2",null,"CC(C)(C)C(O)C(Cc1c(cc(cc1)Cl)Cl)n2ncnc2",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[5217,1714,"Enalapril","75847-73-3","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C(CCC2)C(=O)O","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C(CCC2)C(=O)O","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C(CCC2)C(=O)O","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C(CCC2)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5218,null,"phosphonicacid,[[4-(2-benzothiazolyl)phenyl]me","75889-62-2",null,"CCOP(=O)(Cc1ccc(cc1)-c2sc3c(n2)cccc3)OCC",null,"CCOP(=O)(Cc1ccc(cc1)-c2sc3c(n2)cccc3)OCC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5219,2685,"4H-Imidazol-4-one, 2-amino-1-ethyl-1,5-dihydro-","76146-27-5","CCN1C(=NC(C1)=O)N","CCN1C(=NC(C1)=O)N","CCN1C(=NC(C1)=O)N","CCN1C(=NC(C1)=O)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5220,null,"3-Pyrrolidinecarboxylic acid, 2,2,5,5-tetramethy","76193-99-2",{"$nulls":3},"CC1(NC(C(C1)C(=O)O)(C)C)C",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5221,null,"2-Furancarboxamide, N-[(2-furanylcarbonyl)oxy]-","76199-02-5","O=C(NOC(=O)c1occc1)c2occc2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5222,1235,"Tecloftalam","76280-91-6","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)Nc2c(c(ccc2)Cl)Cl","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)Nc2c(c(ccc2)Cl)Cl","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(O)=Nc2c(c(ccc2)Cl)Cl","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(O)=Nc2c(c(ccc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5223,4348,"Methanetrisulfonic acid, chloro-","76371-36-3","O=S(=O)(O)C(Cl)(S(=O)(=O)O)S(=O)(=O)O",null,"O=S(=O)(O)C(Cl)(S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)C(Cl)(S(=O)(=O)O)S(=O)(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5224,3197,"L-Alanine, N-(chloroacetyl)-, ethyl ester","76385-53-0","CCOC(=O)C(C)NC(=O)CCl",null,"CCOC(=O)C(C)N=C(O)CCl","CCOC(=O)C(C)N=C(O)CCl",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[5225,null,"benzoicacid,2-(acetyloxy)-,(methylthio)methyl","76432-30-9",null,"CSCOC(=O)c1c(cccc1)OC(C)=O",null,"CSCOC(=O)c1c(cccc1)OC(C)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5226,null,"BENZOIC ACID, 2-(ACETYLOXY)-, (METHYLSULFINYL)ME","76432-33-2",null,"CC(=O)Oc1c(cccc1)C(=O)OCS(C)=O",null,null,1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on ChemID"]
[5227,null,"benzoicacid,2-(acetyloxy)-,(methylsulfonyl)me","76432-35-4",null,"CC(=O)Oc1c(cccc1)C(=O)OCS(C)(=O)=O",null,"CC(=O)Oc1c(cccc1)C(=O)OCS(C)(=O)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5228,4301,"2-(2-Chlorophenoxy)propanoic acid","76466-16-5","CC(Oc1c(cccc1)Cl)C(=O)O","CC(Oc1c(cccc1)Cl)C(=O)O","CC(Oc1c(cccc1)Cl)C(=O)O",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5229,1470,"Quizalofop","76578-12-6","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)O","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)O","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)O","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5230,1624,"QUIZALOFOP-ETHYL","76578-14-8","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",4,0,0,"NO","NO","Mantain","High Reliability","5450"]
[5231,1395,"FLUTRIAFOL (PP450)","76674-21-0",null,"OC(Cn1ncnc1)(c2ccc(cc2)F)c3c(cccc3)F","OC(Cn1ncnc1)(c2ccc(cc2)F)c3c(cccc3)F","OC(Cn1ncnc1)(c2ccc(cc2)F)c3c(cccc3)F",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5232,1349,"PACLOBUTRAZOL","76738-62-0","CC(C)(C)C(O)C(Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(Cc1ccc(cc1)Cl)n2ncnc2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Differences in counterions"]
[5233,825,"2',3,3',4,5-Pentachlorobiphenyl","76842-07-4","Clc1c(c(cc(c1)-c2c(c(ccc2)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(ccc2)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(ccc2)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(ccc2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5234,null,"2-Butenedioic acid, 2-methyl-, 4-methyl ester, (","77044-59-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5235,2551,"GLUFOSINATE-AMMONIUM","77182-82-2","CP(=O)(O)CCC(N)C(=O)O","CP(=O)(O)CCC(N)C(=O)O","CP(=O)(O)CCC(N)C(=O)O","CP(=O)(O)CCC(N)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5236,null,"2,4-Hexadienedioic acid, 3-methyl-, 6-methyl est","77186-02-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5237,485,"Glycine, N-(N-L-leucyl-L-alanyl)-","77214-70-1","CC(C)CC(N)C(=O)NC(C)C(=O)NCC(=O)O",null,"CC(C)CC(N)C(O)=NC(C)C(O)=NCC(=O)O","CC(C)CC(N)C(O)=NC(C)C(O)=NCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[5238,2851,"Carbamic acid, ethylmethyl-, ethyl ester","77333-18-7","CCOC(=O)N(C)CC",null,"CCOC(=O)N(C)CC","CCOC(=O)N(C)CC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5239,1181,"Pyraclofos","77458-01-6","CCCSP(=O)(OCC)Oc1cn(nc1)-c2ccc(cc2)Cl","CCCSP(=O)(OCC)Oc1cn(nc1)-c2ccc(cc2)Cl","CCCSP(=O)(OCC)Oc1cn(nc1)-c2ccc(cc2)Cl","CCCSP(=O)(OCC)Oc1cn(nc1)-c2ccc(cc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5240,1613,"LACTOFEN","77501-63-4","CCOC(=O)C(C)OC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","CCOC(=O)C(C)OC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","CCOC(=O)C(C)OC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","CCOC(=O)C(C)OC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5241,null,"fluoroglycofenethyl","77501-90-7",null,"CCOC(=O)COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",null,"CCOC(=O)COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5242,3823,"2-Butanol, 4,4-diethoxy-","77533-80-3","CCOC(CC(C)O)OCC",null,"CCOC(CC(C)O)OCC","CCOC(CC(C)O)OCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5243,3085,"4(1H)-Pteridinone, hydrazone","77632-11-2","NN=c1c2c([nH]cn1)nccn2",null,"NNc1c2c(ncn1)nccn2","NNc1c2c(ncn1)nccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5244,null,"Dodecanedioic acid, 3-methyl-","77633-51-3","CC(CCCCCCCCC(=O)O)CC(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5245,1185,"Oxadixyl","77732-09-3","COCC(=O)N(c1c(cccc1C)C)N2C(OCC2)=O","COCC(=O)N(c1c(cccc1C)C)N2C(OCC2)=O","COCC(=O)N(c1c(cccc1C)C)N2C(OCC2)=O","COCC(=O)N(c1c(cccc1C)C)N2C(OCC2)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5246,null,"Hydrazinecarboxamide, 2-(1-methylethylidene)-N-p","78002-37-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5247,669,"3-Pyridinecarboxamide, N-hexyl-","78114-56-4","CCCCCCNC(=O)c1cnccc1",null,"CCCCCCN=C(O)c1cnccc1","CCCCCCN=C(O)c1cnccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5248,null,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(2,3-dihydro","78183-37-6",null,"CCC1(C(N(C(NC1=O)=O)CC(O)CO)=O)c2ccccc2",null,null,1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on ChemID"]
[5249,1504,"Hexythiazox","78587-05-0","CC1N(C(SC1c2ccc(cc2)Cl)=O)C(=O)NC3CCCCC3","CC1N(C(SC1c2ccc(cc2)Cl)=O)C(=O)NC3CCCCC3","CC1N(C(SC1c2ccc(cc2)Cl)=O)C(=O)NC3CCCCC3","CC1N(C(SC1c2ccc(cc2)Cl)=O)C(=O)NC3CCCCC3",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5250,4321,"Benzoic acid, 3,4-dimethoxy-2-nitro-","79025-28-8","COc1c(c(c(cc1)C(=O)O)[N+](=O)[O-])OC",null,"COc1c(c(c(cc1)C(=O)O)[N+](=O)[O-])OC","COc1c(c(c(cc1)C(=O)O)[N+](=O)[O-])OC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5251,1496,"FENOXYCARB","79127-80-3","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability","5175"]
[5252,1631,"Fluazifop-P-butyl","79241-46-6","CCCCOC(=O)C(C)Oc1ccc(cc1)Oc2ncc(cc2)C(F)(F)F","CCCCOC(=O)C(C)Oc1ccc(cc1)Oc2ncc(cc2)C(F)(F)F","CCCCOC(=O)C(C)Oc1ccc(cc1)Oc2ncc(cc2)C(F)(F)F",null,3,0,1,"NO","NO","Mantain","Medium Reliability","5131","Stereochemistry removed"]
[5253,597,"HARMONY","79277-27-3","COC(=O)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC","COC(=O)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC","COC(=O)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC","COC(=O)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5254,1473,"TETRAFLUTHRIN","79538-32-2","Cc1c(c(c(c(c1F)F)COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)F)F","Cc1c(c(c(c(c1F)F)COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)F)F",null,"Cc1c(c(c(c(c1F)F)COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)F)F",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[5255,1411,"Etobenzanid","79540-50-4",null,null,"CCOCOc1ccc(cc1)C(=O)Nc2c(c(ccc2)Cl)Cl","CCOCOc1ccc(cc1)C(=O)Nc2c(c(ccc2)Cl)Cl",2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5256,231,"Butanamide, N,N,2-triethyl-","79868-38-5","CCC(CC)C(=O)N(CC)CC",null,"CCC(CC)C(=O)N(CC)CC","CCC(CC)C(=O)N(CC)CC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5257,1865,"SIMVASTATIN","79902-63-9","CCC(C)(C)C(=O)OC1C2C(=CC(C1)C)C=CC(C)C2CCC3OC(CC(C3)O)=O","CCC(C)(C)C(=O)OC1C2C(=CC(C1)C)C=CC(C)C2CCC3OC(CC(C3)O)=O","CCC(C)(C)C(=O)OC1C2C(=CC(C1)C)C=CC(C)C2CCC3OC(CC(C3)O)=O","CCC(C)(C)C(=O)OC1C2C(=CC(C1)C)C=CC(C)C2CCC3OC(CC(C3)O)=O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5258,1173,"Hexaconazole","79983-71-4","CCCCC(O)(Cn1ncnc1)c2c(cc(cc2)Cl)Cl","CCCCC(O)(Cn1ncnc1)c2c(cc(cc2)Cl)Cl","CCCCC(O)(Cn1ncnc1)c2c(cc(cc2)Cl)Cl","CCCCC(O)(Cn1ncnc1)c2c(cc(cc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5259,1833,"Diafenthiuron","80060-09-9","CC(C)c1c(c(cc(c1)Oc2ccccc2)C(C)C)NC(=S)NC(C)(C)C","CC(C)c1c(c(cc(c1)Oc2ccccc2)C(C)C)NC(=S)NC(C)(C)C","CC(C)c1c(c(cc(c1)Oc2ccccc2)C(C)C)NC(=S)NC(C)(C)C","CC(C)c1c(c(cc(c1)Oc2ccccc2)C(C)C)NC(=S)NC(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5260,1863,"ETOFENPROX","80844-07-1","CCOc1ccc(cc1)C(C)(C)COCc2cc(ccc2)Oc3ccccc3","CCOc1ccc(cc1)C(C)(C)COCc2cc(ccc2)Oc3ccccc3","CCOc1ccc(cc1)C(C)(C)COCc2cc(ccc2)Oc3ccccc3",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5261,1020,"IMAZAPYR","81334-34-1","CC(C)C1(C(NC(=N1)c2c(cccn2)C(=O)O)=O)C","CC(C)C1(C(NC(=N1)c2c(cccn2)C(=O)O)=O)C","CC(C)C1(C(NC(=N1)c2c(cccn2)C(=O)O)=O)C","CC(C)C1(C(NC(=N1)c2c(cccn2)C(=O)O)=O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5262,1482,"Imazaquin","81335-37-7","CC(C)C1(C(NC(=N1)c2c(cc3c(n2)cccc3)C(=O)O)=O)C","CC(C)C1(C(NC(=N1)c2c(cc3c(n2)cccc3)C(=O)O)=O)C","CC(C)C1(C(NC(=N1)c2c(cc3c(n2)cccc3)C(=O)O)=O)C","CC(C)C1(C(NC(=N1)c2c(cc3c(n2)cccc3)C(=O)O)=O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5263,1345,"Imazethapyr","81335-77-5","CCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O","CCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O","CCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O","CCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5264,null,"Imazamethabenz (isomer mix)","81405-85-8",null,"COC(=O)c1c(cc(cc1)C)C=2NC(C(N2)(C)C(C)C)=O",null,null,1,0,3,"NO","NO","Eliminate","-",null,"Mixture"]
[5265,1351,"Fluroxypyr-meptyl","81406-37-3","CCCCCCC(C)OC(=O)COc1c(c(c(c(n1)F)Cl)N)Cl","CCCCCCC(C)OC(=O)COc1c(c(c(c(n1)F)Cl)N)Cl","CCCCCCC(C)OC(=O)COc1c(c(c(c(n1)F)Cl)N)Cl","CCCCCCC(C)OC(=O)COc1c(c(c(c(n1)F)Cl)N)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5266,1215,"3-Pyridinecarboxamide, N-octyl-","81475-34-5","CCCCCCCCNC(=O)c1cnccc1",null,"CCCCCCCCN=C(O)c1cnccc1","CCCCCCCCN=C(O)c1cnccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5267,1370,"3-Pyridinecarboxamide, N-nonyl-","81475-35-6","CCCCCCCCCNC(=O)c1cnccc1",null,"CCCCCCCCCN=C(O)c1cnccc1","CCCCCCCCCN=C(O)c1cnccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5268,1454,"3-Pyridinecarboxamide, N-decyl-","81475-36-7","CCCCCCCCCCNC(=O)c1cnccc1",null,"CCCCCCCCCCNC(=O)c1cnccc1","CCCCCCCCCCNC(=O)c1cnccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5269,1526,"3-Pyridinecarboxamide, N-undecyl-","81475-37-8","CCCCCCCCCCCNC(=O)c1cnccc1",null,"CCCCCCCCCCCN=C(O)c1cnccc1","CCCCCCCCCCCN=C(O)c1cnccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5270,1586,"3-Pyridinecarboxamide, N-dodecyl-","81475-38-9","CCCCCCCCCCCCNC(=O)c1cnccc1","CCCCCCCCCCCCNC(=O)c1cnccc1","CCCCCCCCCCCCNC(=O)c1cnccc1","CCCCCCCCCCCCNC(=O)c1cnccc1",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5271,606,"CLOMAZONE","81777-89-1","CC1(C(N(OC1)Cc2c(cccc2)Cl)=O)C","CC1(C(N(OC1)Cc2c(cccc2)Cl)=O)C","CC1(C(N(OC1)Cc2c(cccc2)Cl)=O)C","CC1(C(N(OC1)Cc2c(cccc2)Cl)=O)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5272,null,"Benzoic acid amide, 3-(3-aminobenzoylamino)-","81882-67-9","NC(=O)c1cc(ccc1)NC(=O)c2cc(ccc2)N",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5273,1163,"Triasulfuron","82097-50-5","COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c2c(cccc2)OCCCl","COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c2c(cccc2)OCCCl","COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c2c(cccc2)OCCCl","COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c2c(cccc2)OCCCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5274,1549,"FENOXAPROP-ETHYL","82110-72-3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",4,0,0,"NO","NO","Mantain","High Reliability","5066, 5161"]
[5275,4251,"5,8-Quinolinedione, dioxime","82153-77-3","ON=C1c2c(C(C=C1)=NO)nccc2",null,"ON=C1c2c(C(C=C1)=NO)nccc2","ON=C1c2c(C(C=C1)=NO)nccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5276,null,"Triadimenol (diastereoisomer B)","82200-72-4",null,"CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed, Isomeric mix"]
[5277,1614,"Inabenfide","82211-24-3","O=C(Nc1c(cc(cc1)Cl)C(O)c2ccccc2)c3ccncc3","O=C(Nc1c(cc(cc1)Cl)C(O)c2ccccc2)c3ccncc3","O=C(Nc1c(cc(cc1)Cl)C(O)c2ccccc2)c3ccncc3","O=C(Nc1c(cc(cc1)Cl)C(O)c2ccccc2)c3ccncc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5278,null,"Butanoic acid, 4-amino-2-hydroxy-4-oxo-, (R)-","82310-91-6","NC(=O)CC(O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[5279,1574,"Isoxaben","82558-50-7","CCC(C)(CC)c1noc(c1)NC(=O)c2c(cccc2OC)OC","CCC(C)(CC)c1noc(c1)NC(=O)c2c(cccc2OC)OC","CCC(C)(CC)c1noc(c1)NC(=O)c2c(cccc2OC)OC","CCC(C)(CC)c1noc(c1)NC(=O)c2c(cccc2OC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5280,1717,"BENFURACARB","82560-54-1","CCOC(=O)CCN(SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C)C(C)C","CCOC(=O)CCN(SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C)C(C)C","CCOC(=O)CCN(SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C)C(C)C","CCOC(=O)CCN(SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5281,2896,"1-Butanol, 3-ethoxy-","82655-81-0","CCOC(C)CCO",null,"CCOC(C)CCO","CCOC(C)CCO",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5282,1821,"Bifenthrin","82657-04-3","Cc1c(cccc1COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)-c3ccccc3","Cc1c(cccc1COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)-c3ccccc3","Cc1c(cccc1COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)-c3ccccc3","Cc1c(cccc1COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)-c3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5283,1777,"Benzofenap","82692-44-2","Cc1ccc(cc1)C(=O)COc2n(nc(c2C(=O)c3c(c(c(cc3)Cl)C)Cl)C)C","Cc1ccc(cc1)C(=O)COc2n(nc(c2C(=O)c3c(c(c(cc3)Cl)C)Cl)C)C","Cc1ccc(cc1)C(=O)COc2n(nc(c2C(=O)c3c(c(c(cc3)Cl)C)Cl)C)C","Cc1ccc(cc1)C(=O)COc2n(nc(c2C(=O)c3c(c(c(cc3)Cl)C)Cl)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5284,null,"4-Thiazolesulfonic acid","82971-12-8","O=S(=O)(O)c1ncsc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5285,null,"bensulfuron-methyl(ph7)","83055-99-6",null,"COC(=O)c1c(cccc1)CS(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",null,"COC(=O)c1c(cccc1)CS(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5286,1236,"TEFLUBENZURON","83121-18-0","O=C(NC(=O)c1c(cccc1F)F)Nc2c(c(c(c(c2)Cl)F)Cl)F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(c(c(c(c2)Cl)F)Cl)F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(c(c(c(c2)Cl)F)Cl)F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(c(c(c(c2)Cl)F)Cl)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5287,1516,"ALANYCARB","83130-01-2","CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC","CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC","CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC",null,3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[5288,1601,"DIFLUFENICAN","83164-33-4","O=C(Nc1c(cc(cc1)F)F)c2c(nccc2)Oc3cc(ccc3)C(F)(F)F","O=C(Nc1c(cc(cc1)F)F)c2c(nccc2)Oc3cc(ccc3)C(F)(F)F","O=C(Nc1c(cc(cc1)F)F)c2c(nccc2)Oc3cc(ccc3)C(F)(F)F","O=C(Nc1c(cc(cc1)F)F)c2c(nccc2)Oc3cc(ccc3)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5289,2209,"2-Propenoic acid, 3-bromo-2,3-diiodo-","83442-56-2","O=C(O)C(I)=C(Br)I",null,"O=C(O)C(I)=C(Br)I","O=C(O)C(I)=C(Br)I",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5290,null,"1,3,4-Pentanetricarboxylic acid, [R-(R*,S*)]-","83572-31-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5291,1334,"Uniconazole-P","83657-17-4","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2",4,0,0,"NO","NO","Mantain","High Reliability","5292","Stereochemistry removed"]
[5292,1334,"Uniconazole","83657-22-1","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2",4,0,0,"NO","NO","Mantain","High Reliability","5291","Stereochemistry removed"]
[5293,1323,"DINICONAZOLE","83657-24-3","CC(C)(C)C(O)C(=Cc1c(cc(cc1)Cl)Cl)n2ncnc2","CC(C)(C)C(O)C(=Cc1c(cc(cc1)Cl)Cl)n2ncnc2","CC(C)(C)C(O)C(=Cc1c(cc(cc1)Cl)Cl)n2ncnc2","CC(C)(C)C(O)C(=Cc1c(cc(cc1)Cl)Cl)n2ncnc2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5294,1051,"Phosmethylan","83733-82-8","CCCC(=O)N(CSP(=S)(OC)OC)c1c(cccc1)Cl","CCCC(=O)N(CSP(=S)(OC)OC)c1c(cccc1)Cl",null,"CCCC(=O)N(CSP(=S)(OC)OC)c1c(cccc1)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5295,276,"8-Quinolinecarboxylic acid, 5-nitro-","83848-59-3","O=C(O)c1c2c(c(cc1)[N+](=O)[O-])cccn2",null,"O=C(O)c1c2c(c(cc1)[N+](=O)[O-])cccn2","O=C(O)c1c2c(c(cc1)[N+](=O)[O-])cccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5296,935,"2-Dibenzofuransulfonic acid","83863-63-2","O=S(=O)(O)c1cc2c(cc1)oc3c2cccc3","O=S(=O)(O)c1cc2c(cc1)oc3c2cccc3","O=S(=O)(O)c1cc2c(cc1)oc3c2cccc3","O=S(=O)(O)c1cc2c(cc1)oc3c2cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5297,1759,"LISINOPRIL","83915-83-7","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N2C(CCC2)C(=O)O","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N2C(CCC2)C(=O)O","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N2C(CCC2)C(=O)O","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N2C(CCC2)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed, Differences in counterions"]
[5298,981,"Chlozolinate","84332-86-5","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",4,0,0,"NO","NO","Mantain","High Reliability","5173"]
[5299,3683,"ETHANOL, 2-[(2-AMINO-9H-PURIN-9-YL)METHOXY]-","84408-37-7","Nc1nc2c(cn1)ncn2COCCO","Nc1nc2c(cn1)ncn2COCCO",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5300,1410,"CLOMEPROP","84496-56-0","Cc1c(c(ccc1Cl)OC(C)C(=O)Nc2ccccc2)Cl","Cc1c(c(ccc1Cl)OC(C)C(=O)Nc2ccccc2)Cl","Cc1c(c(ccc1Cl)OC(C)C(O)=Nc2ccccc2)Cl","Cc1c(c(ccc1Cl)OC(C)C(O)=Nc2ccccc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5301,246,"1-Pentanesulfinothioic acid, S-pentyl ester","84549-06-4","CCCCCSS(=O)CCCCC",null,"CCCCCSS(=O)CCCCC","CCCCCSS(=O)CCCCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5302,2825,"Pentanal, 5-methoxy-","84629-00-5","COCCCCC=O",null,"COCCCCC=O","COCCCCC=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5303,null,"4-Pyrimidinecarboxylic acid, 1,6-dihydro-6-oxo-2","84659-98-3",{"$nulls":3},"O=C(O)c1[nH]c(nc(c1)=O)-c2ccccc2",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5304,null,"benzenemethanol,2,4-dichloro-,propanoate","85262-94-8","OCc1c(cc(cc1)Cl)Cl","CCC(=O)OCc1c(cc(cc1)Cl)Cl","CCC(=O)OCc1c(cc(cc1)Cl)Cl","CCC(=O)OCc1c(cc(cc1)Cl)Cl",3,1,0,"NO","NO","Manual Check","Verify Name"]
[5305,null,"Flusilazole","85509-19-9","C[Si](Cn1ncnc1)(c2ccc(cc2)F)c3ccc(cc3)F","C[Si](Cn1ncnc1)(c2ccc(cc2)F)c3ccc(cc3)F","C[Si](Cn1ncnc1)(c2ccc(cc2)F)c3ccc(cc3)F","C[Si](Cn1ncnc1)(c2ccc(cc2)F)c3ccc(cc3)F",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[5306,null,"2-Imidazolidinone, 4-hydroperoxy-5-hydroxy-4-met","85576-52-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5307,1485,"CIPROFLOXACIN","85721-33-1","O=C(O)c1c(c2c(n(c1)C3CC3)cc(N4CCNCC4)c(F)c2)=O","O=C(O)c1c(c2c(n(c1)C3CC3)cc(N4CCNCC4)c(F)c2)=O","O=C(O)c1c(c2c(n(c1)C3CC3)cc(N4CCNCC4)c(F)c2)=O","O=C(O)c1c(c2c(n(c1)C3CC3)cc(N4CCNCC4)c(F)c2)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5308,null,"Tridecanoic acid, 2,4-dioxo-","85763-15-1","CCCCCCCCCC(=O)CC(=O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5309,1369,"ESPROCARB","85785-20-2","CCN(C(=O)SCc1ccccc1)C(C)C(C)C","CCN(C(=O)SCc1ccccc1)C(C)C(C)C","CCN(C(=O)SCc1ccccc1)C(C)C(C)C","CCN(C(=O)SCc1ccccc1)C(C)C(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5310,1285,"PRIMISULFURON-METHYL","86209-51-0","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC(F)F)OC(F)F","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC(F)F)OC(F)F","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC(F)F)OC(F)F","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC(F)F)OC(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5311,1459,"HEXAFLUMURON","86479-06-3","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(c(c2)Cl)OC(F)(F)C(F)F)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(c(c2)Cl)OC(F)(F)C(F)F)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(c(c2)Cl)OC(F)(F)C(F)F)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(c(c2)Cl)OC(F)(F)C(F)F)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5312,1467,"Imibenconazole","86598-92-7","Clc1ccc(cc1)CSC(Cn2ncnc2)=Nc3c(cc(cc3)Cl)Cl","Clc1ccc(cc1)CSC(Cn2ncnc2)=Nc3c(cc(cc3)Cl)Cl","Clc1ccc(cc1)CSC(Cn2ncnc2)=Nc3c(cc(cc3)Cl)Cl","Clc1ccc(cc1)CSC(Cn2ncnc2)=Nc3c(cc(cc3)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5313,1359,"Propisochlor","86763-47-5","CCc1c(c(ccc1)C)N(COC(C)C)C(=O)CCl","CCc1c(c(ccc1)C)N(COC(C)C)C(=O)CCl","CCc1c(c(ccc1)C)N(COC(C)C)C(=O)CCl","CCc1c(c(ccc1)C)N(COC(C)C)C(=O)CCl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5314,1669,"FLUAZURON","86811-58-7","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)Cl)Oc3c(cc(cn3)C(F)(F)F)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)Cl)Oc3c(cc(cn3)C(F)(F)F)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)Cl)Oc3c(cc(cn3)C(F)(F)F)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)Cl)Oc3c(cc(cn3)C(F)(F)F)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5315,null,"2,4-Imidazolidinedione, 5-butyl-, (¤)-","87052-64-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5316,null,"carbamicacid,(3,4-diethoxyphenyl)-,1-methylet","87130-20-9",null,"CCOc1c(cc(cc1)NC(=O)OC(C)C)OCC",null,"CCOc1c(cc(cc1)NC(=O)OC(C)C)OCC",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5317,1629,"HALOXYFOP-ETOTYL","87237-48-7","CCOCCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl","CCOCCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl","CCOCCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl","CCOCCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5318,1515,"Butenachlor","87310-56-3","CC=CCOCN(C(=O)CCl)c1c(cccc1CC)CC","CC=CCOCN(C(=O)CCl)c1c(cccc1CC)CC","CC=CCOCN(C(=O)CCl)c1c(cccc1CC)CC","CC=CCOCN(C(=O)CCl)c1c(cccc1CC)CC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5319,1742,"FLUMICLORAC-PENTYL","87546-18-7","CCCCCOC(=O)COc1c(cc(c(c1)N2C(C3=C(C2=O)CCCC3)=O)F)Cl","CCCCCOC(=O)COc1c(cc(c(c1)N2C(C3=C(C2=O)CCCC3)=O)F)Cl","CCCCCOC(=O)COc1c(cc(c(c1)N2C(C3=C(C2=O)CCCC3)=O)F)Cl","CCCCCOC(=O)COc1c(cc(c(c1)N2C(C3=C(C2=O)CCCC3)=O)F)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5320,668,"DIMETHENAMID","87674-68-8","COCC(C)N(C(=O)CCl)c1c(scc1C)C","COCC(C)N(C(=O)CCl)c1c(scc1C)C","COCC(C)N(C(=O)CCl)c1c(scc1C)C","COCC(C)N(C(=O)CCl)c1c(scc1C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5321,1476,"ISOXAPYRIFOP","87757-18-4","CC(Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl)C(=O)N3OCCC3","CC(Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl)C(=O)N3OCCC3","CC(Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl)C(=O)N3OCCC3","CC(Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl)C(=O)N3OCCC3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5322,1579,"CINMETHYLIN","87818-31-3","Cc1c(cccc1)COC2C3(CCC(C2)(O3)C(C)C)C","Cc1c(cccc1)COC2C3(CCC(C2)(O3)C(C)C)C","Cc1c(cccc1)COC2C3(CCC(C2)(O3)C(C)C)C","Cc1c(cccc1)COC2C3(CCC(C2)(O3)C(C)C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5323,null,"9H-PURIN-6-AMINE, 9-[2-O-ACETYL-3,5-BIS-O-[(1,1-","87970-03-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5324,null,"9-(2-O-Butyryl-beta-D- arabinofuranosyl)adenine","87970-05-6","CCCC(=O)OC1C(OC(C1O)CO)n2c3c(nc2)c(N)ncn3",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[5325,null,"9H-PURIN-6-AMINE, 9-[3,5-BIS-O-[(1,1-DIMETHYLETH","87984-85-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5326,null,"Butanedioic acid, (1-methylethenyl)-","87989-21-7","C=C(C)C(CC(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5327,null,"Methylene, (methyleneamino)-","88333-02-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5328,555,"FLUXOFENIM","88485-37-4","FC(F)(F)C(=NOCC1OCCO1)c2ccc(cc2)Cl","FC(F)(F)C(=NOCC1OCCO1)c2ccc(cc2)Cl","FC(F)(F)C(=NOCC1OCCO1)c2ccc(cc2)Cl","FC(F)(F)C(=NOCC1OCCO1)c2ccc(cc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5329,1325,"MYCLOBUTANIL","88671-89-0","CCCCC(C#N)(Cn1ncnc1)c2ccc(cc2)Cl","CCCCC(C#N)(Cn1ncnc1)c2ccc(cc2)Cl","CCCCC(C#N)(Cn1ncnc1)c2ccc(cc2)Cl","CCCCC(C#N)(Cn1ncnc1)c2ccc(cc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5330,1567,"Pyributicarb","88678-67-5","COc1nc(ccc1)N(C)C(=S)Oc2cc(ccc2)C(C)(C)C","COc1nc(ccc1)N(C)C(=S)Oc2cc(ccc2)C(C)(C)C","COc1nc(ccc1)N(C)C(=S)Oc2cc(ccc2)C(C)(C)C","COc1nc(ccc1)N(C)C(=S)Oc2cc(ccc2)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5331,2205,"Acrylic acid, 2,3-dibromo-3-chloro-","88917-04-8","O=C(O)C(Br)=C(Cl)Br",null,"O=C(O)C(Br)=C(Cl)Br","O=C(O)C(Br)=C(Cl)Br",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5332,2206,"Acrylic acid, 3,3-dibromo-2-chloro-","88917-05-9","O=C(O)C(Cl)=C(Br)Br",null,"O=C(O)C(Cl)=C(Br)Br","O=C(O)C(Cl)=C(Br)Br",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5333,null,"PROPANOL 1 (OR 2)-2-METHOXYMETHYL ETHOXY, ACETAT","88917-22-0",null,"CCC(OCCCOC)OC(C)=O",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5334,2130,"2-Propanol, 1,1-dinitro-","89167-84-0","CC(O)C([N+](=O)[O-])[N+](=O)[O-]",null,"CC(O)C([N+](=O)[O-])[N+](=O)[O-]","CC(O)C([N+](=O)[O-])[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5335,1336,"Ferimzone","89269-64-7","CC(=NNc1nc(cc(n1)C)C)c2c(cccc2)C","CC(=NNc1nc(cc(n1)C)C)c2c(cccc2)C","CC(=NNc1nc(cc(n1)C)C)c2c(cccc2)C","CC(=NNc1nc(cc(n1)C)C)c2c(cccc2)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5336,null,"3-Pyridinesulfonamide, 6-hydroxy-","89322-91-8","NS(=O)(=O)c1cnc(cc1)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5337,null,"Lg-Tartaric acid monomethyl ester","89395-25-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5338,3082,"Purine-2,8(3H,9H)-dione, 3-methyl-","89418-24-6","Cn1c2c(cnc1=O)[nH]c(=O)[nH]2",null,"Cn1c2c(cnc1=O)nc(O)[nH]2","Cn1c2c(cnc1=O)nc(O)[nH]2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5339,null,"Triadimenol (diastereoisomer A)","89482-17-7",null,"CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed, Isomeric mix"]
[5340,null,"(+)(R)-6-hydroxy-4-methyl-caproaldehyde","89794-65-0","CC(CCO)CCC=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[5341,3466,"2(3H)-Pteridinone, 3-methyl-","89795-86-8","Cn1c(nc2c(c1)nccn2)=O",null,"Cn1c(nc2c(c1)nccn2)=O","Cn1c(nc2c(c1)nccn2)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5342,null,"Carbamic acid, sulfamoyl-, 2-ethylbutyl ester","89851-12-7","CCC(CC)COC(=O)NS(N)(=O)=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5343,4228,"5-Isobenzofurancarbonitrile, 1,3-dihydro-3-oxo-","89877-62-3","N#Cc1cc2c(cc1)COC2=O",null,"N#Cc1cc2c(cc1)COC2=O","N#Cc1cc2c(cc1)COC2=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5344,null,"2-Butenedioic acid, 2-methyl-, 1-ethyl ester, (E","89966-38-1",{"$nulls":3},"CCOC(=O)C(C)=CC(=O)O",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5345,3330,"1-Propanol, 2,2-bis(ethylsulfonyl)-","89979-51-1","CCS(=O)(=O)C(C)(CO)S(=O)(=O)CC",null,"CCS(=O)(=O)C(C)(CO)S(=O)(=O)CC","CCS(=O)(=O)C(C)(CO)S(=O)(=O)CC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5346,3999,"Benzaldehyde, 2-amino-4-hydroxy-3-methoxy-","89984-23-6","COc1c(c(ccc1O)C=O)N","COc1c(c(ccc1O)C=O)N","COc1c(c(ccc1O)C=O)N","COc1c(c(ccc1O)C=O)N",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5347,4264,"Phthalic acid, 4-nitro-, 1-methyl ester","90072-77-8","COC(=O)c1c(cc(cc1)[N+](=O)[O-])C(=O)O",null,"COC(=O)c1c(cc(cc1)[N+](=O)[O-])C(=O)O","COC(=O)c1c(cc(cc1)[N+](=O)[O-])C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5348,null,"Butyric acid, 2,2'-dithiodi-","90114-01-5","CCC(SSC(CC)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5349,null,"Hexanoic acid, 2,5-dimethyl-","90201-13-1","CC(C)CCC(C)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5350,3697,"Glutamic acid, N-(2-cyanoethyl)-","90243-80-4","N#CCCNC(CCC(=O)O)C(=O)O",null,"N#CCCNC(CCC(=O)O)C(=O)O","N#CCCNC(CCC(=O)O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[5351,null,"Carbamic acid, sulfamoyl-, butyl ester","90324-88-2","CCCCOC(=O)NS(N)(=O)=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5352,3775,"1,4-Cyclohexanediol, 1,4-dimethyl-,","90414-69-0",null,null,"CC1(CCC(CC1)(C)O)O","CC1(CCC(CC1)(C)O)O",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[5353,4095,"Barbituric acid, 5-acetonyl-5-ethyl-","90438-06-5","CCC1(C(NC(NC1=O)=O)=O)CC(C)=O",null,"CCC1(C(=NC(N=C1O)=O)O)CC(C)=O","CCC1(C(=NC(N=C1O)=O)O)CC(C)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5354,4185,"Nonanoic acid, 2,3-dihydroxy-","90677-53-5","CCCCCCC(O)C(O)C(=O)O",null,"CCCCCCC(O)C(O)C(=O)O","CCCCCCC(O)C(O)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5355,514,"Quinmerac","90717-03-6","Cc1cc2c(nc1)c(C(=O)O)c(Cl)cc2","Cc1cc2c(nc1)c(C(=O)O)c(Cl)cc2","Cc1cc2c(nc1)c(C(=O)O)c(Cl)cc2","Cc1cc2c(nc1)c(C(=O)O)c(Cl)cc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5356,null,"Malonamide, 2,2-diethyl-N,N'-dimethyl-","90728-91-9","CCC(CC)(C(=O)NC)C(=O)NC",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5357,null,"Isoleucine, N-(2-cyanoethyl)-","90770-17-5","CCC(C)C(NCCC#N)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Stereochemistry removed"]
[5358,null,"Carbamic acid, sulfamoyl-, 2-ethylhexyl ester","90796-83-1","CCCCC(CC)COC(=O)NS(N)(=O)=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5359,null,"2,4,6-Cycloheptatrien-1-one, 5-bromo-2-hydroxy-4","90841-50-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5360,63,"2-Pteridinol, 6,7-diethyl-","90870-76-1","CCc1c(nc2c(n1)cnc(O)n2)CC",null,"CCc1c(nc2c(n1)cnc(=O)[nH]2)CC","CCc1c(nc2c(n1)cnc(=O)[nH]2)CC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5361,194,"Propanoic acid, 2-(cyclohexyloxy)-2-methyl-","91007-35-1","CC(C)(OC1CCCCC1)C(=O)O","CC(C)(OC1CCCCC1)C(=O)O","CC(C)(OC1CCCCC1)C(=O)O","CC(C)(OC1CCCCC1)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5362,null,"Hydrocinnamic acid, .beta.-methoxy-","91061-49-3","COC(CC(=O)O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5363,null,"Butanoic acid, 2,3-dibromo-2-methyl-","91114-65-7","CC(Br)C(C)(Br)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5364,null,"Succinanilic acid, 3-methyl-","91133-69-6","CC(CC(=O)O)C(=O)Nc1ccccc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5365,null,"2-Furancarboxylic acid, 5-nitro-, [3-(5-nitro-2-","91330-81-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5366,null,"Lactic acid, dimethylthiocarbamate","91499-08-0","CN(C)C(O)=S",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5367,566,"Cyclohexane-1,3-dione, 2-nitro-5-phenyl-","91569-89-0","O=C1C(C(CC(C1)c2ccccc2)=O)[N+](=O)[O-]",null,"O=C1C(C(CC(C1)c2ccccc2)=O)[N+](=O)[O-]","O=C1C(C(CC(C1)c2ccccc2)=O)[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5368,null,"Malonamide, 2,2-dihydroxy-N,N'diphenyl-","91732-73-9","O=C(Nc1ccccc1)C(O)(O)C(=O)Nc2ccccc2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5369,123,"Barbituric acid, 5-(2-butenyl)-1,5-dimethyl-","91761-25-0","CC=CCC1(C(N(C(NC1=O)=O)C)=O)C",null,"CC=CCC1(C(=NC(N(C1=O)C)=O)O)C","CC=CCC1(C(=NC(N(C1=O)C)=O)O)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5370,2726,"2-Hydroxy-but-3-enoic acid ethyl ester","91890-87-8","C=CC(O)C(=O)OCC",null,"C=CC(O)C(=O)OCC","C=CC(O)C(=O)OCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5371,null,"Pyran, 2,2'-oxybis[tetrahydro-6-methyl-","92038-29-4","CC1OC(CCC1)OC2OC(CCC2)C",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5372,null,"Guanidine, N-butyl-N'-sulfanilyl-","92059-15-9","CCCCNC(=N)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5373,null,"2-Furanacrolein, 5-nitro-, 4-phenylsemicarbazone","92150-32-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5374,3337,"Phosphoric acid, methyl dipropyl ester","92347-84-7","CCCOP(=O)(OC)OCCC",null,"CCCOP(=O)(OC)OCCC","CCCOP(=O)(OC)OCCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5375,null,"2,5-Furandipropionic acid, tetrahydro-, diethyl","92371-84-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5376,null,"Propionic acid, 3,3-dimethyl-2,3'-iminodi-","92402-78-3","CC(C)C(NCCC(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5377,null,"pyrimido[5,4-d]pyrimidine-2,4,8(3h)-trione,1,7-","92474-94-7",null,"Cn1c(c2c(nc1)c(=O)n(C)c(=O)n2C)=O",null,"Cn1c(c2c(nc1)c(=O)n(C)c(=O)n2C)=O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5378,null,"Benzoic acid, m-nitro-, (5-nitrofurfurylidene)hy","92695-66-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5379,null,"Glycine, N-naphthalene-2-sulfonyl)-","92740-48-2",null,"O=C(O)CNS(=O)(=O)c1cc2c(cc1)cccc2",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5380,null,"2,5-Pyrrolidinediacetic acid, 1-methyl-, dimethy","92776-66-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5381,null,"Pyrimido[5,4-d]pyrimidine-2,4,6,8(3H,7H)-tetrone","92876-74-9","O=C1NC(C=2C(=N1)C(=O)NC(=O)N2)=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5382,1776,"12-BUTYL-BENZ[A]ANTHRACENE","93037-15-1","CCCCc1c2c(cc3c1cccc3)ccc4c2cccc4",null,"CCCCc1c2c(cc3c1cccc3)ccc4c2cccc4","CCCCc1c2c(cc3c1cccc3)ccc4c2cccc4",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5383,2318,"Butanoic acid, 2,2-dibromo-","93146-89-5","CCC(Br)(Br)C(=O)O",null,"CCC(Br)(Br)C(=O)O","CCC(Br)(Br)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5384,null,"Pyrimido[5,4-d]pyrimidine-2,4,6,8(3H,7H)-tetrone","93506-59-3","O=C1NC(C=2C(=N1)C(=O)NC(=O)N2)=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5385,1189,"Pyrazosulfuron-ethyl","93697-74-6","CCOC(=O)c1c(n(nc1)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC","CCOC(=O)c1c(n(nc1)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC","CCOC(=O)c1c(n(nc1)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC","CCOC(=O)c1c(n(nc1)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5386,1148,"Glycine, N-[N-(2-naphthalenylsulfonyl)glycyl]-","93886-70-5","O=C(O)CNC(=O)CNS(=O)(=O)c1cc2c(cc1)cccc2",null,"O=C(O)CN=C(O)CNS(=O)(=O)c1cc2c(cc1)cccc2","O=C(O)CN=C(O)CNS(=O)(=O)c1cc2c(cc1)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5387,1333,"Cyproconazole","94361-06-5","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl",4,0,0,"NO","NO","Mantain","High Reliability","5388"]
[5388,1333,"Cyproconazole","94361-07-6","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl",null,"CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability","5387","Stereochemistry removed"]
[5389,null,"2,4(1H,3H)-Pteridinedione, 6-acetyl-1,3,7-trimet","94591-19-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5390,1347,"CINOSULFURON","94593-91-6","COCCOc1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OC)OC","COCCOc1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OC)OC","COCCOc1c(cccc1)S(=O)(=O)N=C(O)N=c2nc([nH]c(n2)OC)OC","COCCOc1c(cccc1)S(=O)(=O)N=C(O)N=c2nc([nH]c(n2)OC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5391,null,"Phthalic acid, 3-sulfamoyl-","94617-43-3","NS(=O)(=O)c1c(c(ccc1)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5392,null,"3-Azabicyclo[3.2.1]octane-2,4-dione, 3-hydroxy-1","94626-92-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5393,250,"CADUSAFOS","95465-99-9","CCOP(=O)(SC(C)CC)SC(C)CC","CCOP(=O)(SC(C)CC)SC(C)CC","CCOP(=O)(SC(C)CC)SC(C)CC","CCOP(=O)(SC(C)CC)SC(C)CC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5394,null,"1H-Imidazole-4-carboxylic acid, 2-bromo-5-methyl","95470-42-1",{"$nulls":3},"CCOC(=O)C1C(=NC(=N1)Br)C",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5395,3212,"Acetic acid, (cyclopentyloxy)-","95832-60-3","O=C(O)COC1CCCC1",null,null,"O=C(O)COC1CCCC1",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[5396,null,"Butyrophenone, 4-[4-(p-fluorophenyl)-4-hydroxypi","95948-65-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5397,1070,"TEBUPIRIMFOS","96182-53-5","CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C","CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C","CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C","CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5398,null,"2-Isoindolineacetic acid, .alpha.-ethyl-.alpha.-","96435-08-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5399,null,"ALLOPURINOL, 1-ACETYL-","96448-60-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5400,null,"ALLOPURINOL, 1-(OXOPROPYL)-","96448-61-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5401,null,"ALLOPURINOL, 1-BENZOYL-","96448-63-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5402,null,"ALLOPURINOL, 1-(1-OXOBUTYL)-","96474-05-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5403,1654,"PYRIDABEN","96489-71-3","CC(C)(C)c1ccc(cc1)CSc2c(c(n(nc2)C(C)(C)C)=O)Cl","CC(C)(C)c1ccc(cc1)CSc2c(c(n(nc2)C(C)(C)C)=O)Cl","CC(C)(C)c1ccc(cc1)CSc2c(c(n(nc2)C(C)(C)C)=O)Cl","CC(C)(C)c1ccc(cc1)CSc2c(c(n(nc2)C(C)(C)C)=O)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5404,1422,"Thenylchlor","96491-05-3","COc1c(scc1)CN(C(=O)CCl)c2c(cccc2C)C","COc1c(scc1)CN(C(=O)CCl)c2c(cccc2C)C","COc1c(scc1)CN(C(=O)CCl)c2c(cccc2C)C","COc1c(scc1)CN(C(=O)CCl)c2c(cccc2C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5405,1546,"FLURTAMONE","96525-23-4","CNC=1OC(C(C1c2cc(ccc2)C(F)(F)F)=O)c3ccccc3","CNC=1OC(C(C1c2cc(ccc2)C(F)(F)F)=O)c3ccccc3","CNC=1OC(C(C1c2cc(ccc2)C(F)(F)F)=O)c3ccccc3","CNC=1OC(C(C1c2cc(ccc2)C(F)(F)F)=O)c3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5406,1530,"Propanamide, 2-hydroxy-N-tetradecyl-","96945-44-7","CCCCCCCCCCCCCCNC(=O)C(C)O",null,"CCCCCCCCCCCCCCN=C(O)C(C)O","CCCCCCCCCCCCCCN=C(O)C(C)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5407,null,"methyl(1-phenylsulfonyl)cyclopropanecarboxyla","97383-42-1",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccccc2",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccccc2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5408,117,"dka-24","97454-00-7",null,"C=CCNC(=O)CN(CC=C)C(=O)C(Cl)Cl",null,"C=CCNC(=O)CN(CC=C)C(=O)C(Cl)Cl",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[5409,1338,"ETHAMETSULFURON-METHYL","97780-06-8","CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC","CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC","CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC","CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5410,3163,"2-Propanone, 1-(4,5-dihydro-2-thiazolyl)-","97855-56-6","CC(=O)CC=1SCCN1",null,"CC(=O)CC=1SCCN1","CC(=O)CC=1SCCN1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5411,1316,"Dithiopyr","97886-45-8","CSC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C(=O)SC)CC(C)C","CSC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C(=O)SC)CC(C)C","CSC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C(=O)SC)CC(C)C",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5412,2102,"1,2,4-Thiadiazol-5-amine, 3-methoxy-","98022-43-6","COc1nc(sn1)N",null,"COc1nc(sn1)N","COc1nc(sn1)N",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5413,2368,"1,2,4-Thiadiazole, 5-amino-3-ethoxy-","98022-62-9","CCOc1nc(sn1)N",null,"CCOc1[nH]sc(n1)=N","CCOc1[nH]sc(n1)=N",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5414,null,"ETHYL (ETHYLTHIO) MERCURY","98025-96-8","CCS[Hg]CC",{"$nulls":3},1,0,3,"NO","NO","Eliminate","-",null,"Unusual elements"]
[5415,2506,"1-Propanol, 2,3-dimercapto-, 1-acetate","98070-12-3","CC(=O)OCC(S)CS",null,"CC(=O)OCC(S)CS","CC(=O)OCC(S)CS",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5416,null,"Benzenesulfonic acid, pentabromo-","98137-88-3","O=S(=O)(O)c1c(c(c(c(c1Br)Br)Br)Br)Br",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5417,null,"s-Triazine, 2-(allylamino)-4-amino-","98197-51-4","C=CCNc1nc(ncn1)N",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5418,null,"Purin-2(1H)-one, 3,6-dihydro-3,7-dimethyl-","98335-22-9","CN1c2c(CNC1=O)n(cn2)C",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5419,3742,"Hexanamide, 2-ethylidene-","98552-24-0","CC=C(CCCC)C(N)=O",null,"CC=C(CCCC)C(=N)O","CC=C(CCCC)C(=N)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5420,null,"Pyrazinamide, N-2-pyrimidinyl-","98590-07-9","O=C(Nc1ncccn1)c2nccnc2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5421,357,"BENOXACOR","98730-04-2","CC1N(c2c(OC1)cccc2)C(=O)C(Cl)Cl","CC1N(c2c(OC1)cccc2)C(=O)C(Cl)Cl","CC1N(c2c(OC1)cccc2)C(=O)C(Cl)Cl","CC1N(c2c(OC1)cccc2)C(=O)C(Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5422,null,"Spiro[benzofuran-2(3H), 1'-[2]cyclohexene]-3,4'-","98801-82-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5423,null,"ALLOPURINOL,1,5-BIS(PIVALOYLOXYMETHYL)-","98827-16-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5424,null,"ALLOPURINOL,2,5-BIS(PIVALOYLOXYMETHYL)-","98827-17-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5425,414,"ALLOPURINOL,1-[PIVALOYLOXYMETHYL]-","98827-18-0",null,null,"CC(C)(C)C(=O)OCn1c2c(cn1)c(O)ncn2","CC(C)(C)C(=O)OCn1c2c(cn1)c(O)ncn2",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[5426,null,"ALLOPURINOL, 1,5-BIS(BUTYRYLOXYMETHYL)-","98827-19-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5427,null,"ALLOPURINOL, 2,5-BIS(BUTYRYLOXYMETHYL)-","98827-20-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5428,1196,"ALLOPURINOL,1-[N,N-DIETHYLSUCCINAMYL-OXYMETHYL]-","98827-27-1",null,null,"CCN(CC)C(=O)CCC(=O)OCn1c2c(cn1)c(O)ncn2","CCN(CC)C(=O)CCC(=O)OCn1c2c(cn1)c(O)ncn2",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[5429,1366,"3-Pyridinecarboxylic acid, nonyl ester","98841-58-8","CCCCCCCCCOC(=O)c1cnccc1",null,"CCCCCCCCCOC(=O)c1cnccc1","CCCCCCCCCOC(=O)c1cnccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5430,3944,"ALLOPURINOL, 1-[(ACETYLOXY)METHYL]-","98846-64-1",null,null,"CC(=O)OCn1c2c(cn1)c(O)ncn2","CC(=O)OCn1c2c(cn1)c(O)ncn2",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[5431,975,"ALLOPURINOL, 1-[BENZOYLOXYMETHYL]-","98846-65-2",null,null,"O=C(OCn1c2c(cn1)c(O)ncn2)c3ccccc3","O=C(OCn1c2c(cn1)c(O)ncn2)c3ccccc3",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[5432,953,"ALLOPURINOL, 1-[NICOTINOYLOXYMETHYL]-","98846-66-3",null,null,"O=C(OCn1c2c(cn1)c(O)ncn2)c3cnccc3","O=C(OCn1c2c(cn1)c(O)ncn2)c3cnccc3",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[5433,4173,"Fosthiazate","98886-44-3","CCOP(=O)(SC(C)CC)N1C(SCC1)=O","CCOP(=O)(SC(C)CC)N1C(SCC1)=O","CCOP(=O)(SC(C)CC)N1C(SCC1)=O","CCOP(=O)(SC(C)CC)N1C(SCC1)=O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5434,948,"FLUMETSULAM","98967-40-9","Cc1nc2n(cc1)nc(S(=O)(=O)Nc3c(cccc3F)F)n2","Cc1nc2n(cc1)nc(S(=O)(=O)Nc3c(cccc3F)F)n2","Cc1nc2n(cc1)nc(S(=O)(=O)Nc3c(cccc3F)F)n2","Cc1nc2n(cc1)nc(S(=O)(=O)Nc3c(cccc3F)F)n2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5435,null,"Pyrazinamide, N-(4-methyl-2-pyrimidinyl)-","99057-45-1","Cc1nc(ncc1)NC(=O)c2nccnc2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5436,null,"icia0051(sulcotrione)","99105-77-8",null,"CS(=O)(=O)c1cc(c(cc1)C(=O)C2C(CCCC2=O)=O)Cl",null,"CS(=O)(=O)c1cc(c(cc1)C(=O)C2C(CCCC2=O)=O)Cl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5437,338,"1(3H)-Isobenzofuranone, 3,3-dimethyl-6-nitro-","99185-20-3","CC1(c2c(C(O1)=O)cc([N+](=O)[O-])cc2)C",null,"CC1(c2c(C(O1)=O)cc([N+](=O)[O-])cc2)C","CC1(c2c(C(O1)=O)cc([N+](=O)[O-])cc2)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5438,339,"Phthalide, 3-ethyl-6-nitro-","99185-21-4","CCC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2",null,"CCC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2","CCC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5439,2500,"Butanal, 3-hydroxy-2-methyl-","99506-67-9","CC(O)C(C)C=O",null,"CC(O)C(C)C=O","CC(O)C(C)C=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5440,4271,"8-Quinazolinol, 4-methyl-","99512-70-6","Cc1c2c(ncn1)c(O)ccc2",null,"Cc1c2c(ncn1)c(O)ccc2","Cc1c2c(ncn1)c(O)ccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5441,3942,"7(8H)-Pteridinone, 6,8-dimethyl-","99584-31-3","Cc1c(n(c2c(n1)cncn2)C)=O",null,"Cc1c(n(c2c(n1)cncn2)C)=O","Cc1c(n(c2c(n1)cncn2)C)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5442,1563,"Cloquintocet-mexyl","99607-70-2","CCCCCC(C)OC(=O)COc1c2c(c(cc1)Cl)cccn2","CCCCCC(C)OC(=O)COc1c2c(c(cc1)Cl)cccn2","CCCCCC(C)OC(=O)COc1c2c(c(cc1)Cl)cccn2","CCCCCC(C)OC(=O)COc1c2c(c(cc1)Cl)cccn2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5443,3231,"2,6-Piperidinedicarboxamide","99669-83-7","NC(=O)C1NC(CCC1)C(N)=O",null,"N=C(O)C1NC(CCC1)C(=N)O","N=C(O)C1NC(CCC1)C(=N)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5444,474,"1,2-Cyclohexanedione, 4-tert-pentyl-, dioxime","99991-56-7","CCC(C)(C)C1CC(C(CC1)=NO)=NO",null,"CCC(C)(C)C1CC(C(CC1)=NO)=NO","CCC(C)(C)C1CC(C(CC1)=NO)=NO",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5445,null,"2(1H)-Naphthalenone, octahydro-5,8-dihydroxy-1-m","100053-24-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5446,375,"8-Quinazolinol, 4-propyl-","100060-07-9","CCCc1c2c(ncn1)c(O)ccc2",null,"CCCc1c2c(ncn1)c(O)ccc2","CCCc1c2c(ncn1)c(O)ccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5447,null,"Isonicotinic acid, (3-carboxy-1-methylpropyliden","100128-07-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5448,null,"1-naphthalenepropanoicacid,.beta.-amino-,(¤)","100393-41-7",null,"NC(CC(=O)O)c1c2c(ccc1)cccc2",null,"NC(CC(=O)O)c1c2c(ccc1)cccc2",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[5449,1055,"3-Pyridinecarboxylic acid, heptyl ester","100618-60-8","CCCCCCCOC(=O)c1cnccc1",null,"CCCCCCCOC(=O)c1cnccc1","CCCCCCCOC(=O)c1cnccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5450,1624,"QUIZALOFOP-P-ETHYL","100646-51-3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",null,3,0,1,"NO","NO","Mantain","Medium Reliability","5230","Stereochemistry removed"]
[5451,1018,"HALOSULFURON-METHYL","100784-20-1","COC(=O)c1c(n(nc1Cl)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC","COC(=O)c1c(n(nc1Cl)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC","COC(=O)c1c(n(nc1Cl)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC","COC(=O)c1c(n(nc1Cl)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5452,1014,"Quinoline, 5-acetamido-8-ethoxy-","100795-24-2","CCOc1c2c(c(cc1)NC(C)=O)cccn2",null,"CCOc1c2c(c(cc1)N=C(C)O)cccn2","CCOc1c2c(c(cc1)N=C(C)O)cccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5453,null,"1,2-Cyclohexanedione, 4-(1,1,3,3-tetramethylbuty","100879-19-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5454,1233,"Phosphoric acid, dibutyl 4-ethoxybutyl ester","100888-67-3","CCCCOP(=O)(OCCCC)OCCCCOCC",null,"CCCCOP(=O)(OCCCC)OCCCCOCC","CCCCOP(=O)(OCCCC)OCCCCOCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5455,null,"1,1-Bis-ethanesulfonylpropane","100911-61-3","CCC(S(=O)(=O)CC)S(=O)(=O)CC",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5456,1868,"ACRINATHRIN","101007-06-1","CC1(C(C1C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C","CC1(C(C1C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C","CC1(C(C1C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",null,3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[5457,null,"Benzamide, O-(L-arabinopyranosyloxy)-N,N-dimethy","101116-23-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5458,1329,"Tribenuron-methyl","101200-48-0","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)N(C)c2nc(nc(n2)C)OC","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)N(C)c2nc(nc(n2)C)OC","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)N(C)c2nc(nc(n2)C)OC","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)N(C)c2nc(nc(n2)C)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5459,1523,"Cycloxydim","101205-02-1",null,null,"CCCC(=NOCC)C=1C(CC(CC1O)C2CSCCC2)=O","CCCC(=NOCC)C=1C(CC(CC1O)C2CSCCC2)=O",2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5460,2301,"Butanoic acid, 2,2,4-trichloro-","101256-97-7","O=C(O)C(Cl)(Cl)CCCl",null,"O=C(O)C(Cl)(Cl)CCCl","O=C(O)C(Cl)(Cl)CCCl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5461,null,"1-Piperazinecarboxylic acid, 4,4'-ethylenedi-, d","101433-80-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5462,null,"Carbamic acid, hexamethylenedi-, bis(4-hydroxybu","101443-32-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5463,1726,"Flufenoxuron","101463-69-8","O=C(NC(=O)c1c(cccc1F)F)Nc2c(cc(cc2)Oc3c(cc(cc3)C(F)(F)F)Cl)F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(cc(cc2)Oc3c(cc(cc3)C(F)(F)F)Cl)F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(cc(cc2)Oc3c(cc(cc3)C(F)(F)F)Cl)F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(cc(cc2)Oc3c(cc(cc3)C(F)(F)F)Cl)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5464,null,"[4-(2-ethoxyethylamino)phenyl]-(4-aminophenyl)-s","101586-90-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5465,4265,"Phthalic acid, 4-nitro-, 2-methyl ester","101714-14-1","COC(=O)c1c(ccc(c1)[N+](=O)[O-])C(=O)O",null,"COC(=O)c1c(ccc(c1)[N+](=O)[O-])C(=O)O","COC(=O)c1c(ccc(c1)[N+](=O)[O-])C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5466,null,"7H-Purine-7-carboxylic acid, 1,2,3,6-tetrahydro-","101774-91-8","O=C(O)n1c2c(nc1)NCNC2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5467,1531,"Undecanoic acid, 11-[(6-aminohexyl)amino]-","101791-68-8","NCCCCCCNCCCCCCCCCCC(=O)O",null,"NCCCCCCNCCCCCCCCCCC(=O)O","NCCCCCCNCCCCCCCCCCC(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5468,1589,"1-LAURYL-4-METHOXYCARBONYL-2-PYRROLIDONE","101881-19-0","CCCCCCCCCCCCN1C(CC(C1)C(=O)OC)=O",null,"CCCCCCCCCCCCN1C(CC(C1)C(=O)OC)=O","CCCCCCCCCCCCN1C(CC(C1)C(=O)OC)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5469,1571,"Pefurazoate","101903-30-4","C=CCCCOC(=O)C(CC)N(Cc1occc1)C(=O)n2cncc2","C=CCCCOC(=O)C(CC)N(Cc1occc1)C(=O)n2cncc2","C=CCCCOC(=O)C(CC)N(Cc1occc1)C(=O)n2cncc2","C=CCCCOC(=O)C(CC)N(Cc1occc1)C(=O)n2cncc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5470,null,"Spiro[benzofuran-2(3H), 1'-[3]cyclohexene]-3,4'-","101919-82-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5471,3467,"7(8H)-Pteridinone, 8-methyl-","102169-81-3","Cn1c2c(ncc1=O)cncn2",null,"Cn1c2c(ncc1=O)cncn2","Cn1c2c(ncc1=O)cncn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5472,3469,"Pteridine, 2-methoxy-","102170-44-5","COc1nc2c(cn1)nccn2",null,"COc1nc2c(cn1)nccn2","COc1nc2c(cn1)nccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5473,3468,"2(1H)-Pteridinone, 1-methyl-","102170-45-6","Cn1c2c(cnc1=O)nccn2",null,"Cn1c2c(cnc1=O)nccn2","Cn1c2c(cnc1=O)nccn2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5474,4186,"Hexanamide, 2-ethyl-5-methyl-","102450-10-2","CCC(CCC(C)C)C(N)=O","CCC(CCC(C)C)C(N)=O",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5475,4144,"Hexanamide, N-(aminocarbonyl)-2-ethylidene-","102613-33-2","CC=C(CCCC)C(=O)NC(N)=O","CC=C(CCCC)C(=O)NC(N)=O","CC=C(CCCC)C(O)=NC(=N)O","CC=C(CCCC)C(O)=NC(=N)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5476,2518,"Butane, 2-chloro-3-methoxy-","102671-05-6","COC(C)C(C)Cl",null,"COC(C)C(C)Cl","COC(C)C(C)Cl",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5477,323,"Phthalide, 4-bromo-6,7-dimethoxy-","102877-24-7","COc1c(c2c(c(c1)Br)COC2=O)OC",null,"COc1c(c2c(c(c1)Br)COC2=O)OC","COc1c(c2c(c(c1)Br)COC2=O)OC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5478,64,"4-Pteridinol, 6,7-diethyl-","102943-71-5","CCc1c(nc2c(n1)ncnc2O)CC",null,"CCc1c(nc2c(n1)ncnc2O)CC","CCc1c(nc2c(n1)ncnc2O)CC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5479,921,"FENCHLORAZOLE-ETHYL","103112-35-2","CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)-c2c(cc(cc2)Cl)Cl","CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)-c2c(cc(cc2)Cl)Cl","CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)-c2c(cc(cc2)Cl)Cl","CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)-c2c(cc(cc2)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5480,1616,"Flumioxazin","103361-09-7","C#CCN1c2c(OCC1=O)cc(F)c(N3C(C4=C(C3=O)CCCC4)=O)c2","C#CCN1c2c(OCC1=O)cc(F)c(N3C(C4=C(C3=O)CCCC4)=O)c2","C#CCN1c2c(OCC1=O)cc(F)c(N3C(C4=C(C3=O)CCCC4)=O)c2","C#CCN1c2c(OCC1=O)cc(F)c(N3C(C4=C(C3=O)CCCC4)=O)c2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5481,1555,"Hexanedioic acid, 2,2-diphenyl-","103387-44-6","O=C(O)CCCC(C(=O)O)(c1ccccc1)c2ccccc2",null,"O=C(O)CCCC(C(=O)O)(c1ccccc1)c2ccccc2","O=C(O)CCCC(C(=O)O)(c1ccccc1)c2ccccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5482,null,"BUTANOIC ACID, [2-(AMINOCARBONYL)PHENOXY]METHYL","103951-39-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5483,null,"O-(Pivaloyloxymethyl)salicylamide","103951-40-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5484,null,"4H-1,3-Thiazine-4-carboxylic acid, 2-amino-5,6-d","103983-05-7",{"$nulls":3},"NC=1SCCC(N1)C(=O)O",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5485,null,"ac263,222herbicide","104098-48-8",null,"Cc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O",null,"Cc1cc(c(nc1)C=2NC(C(N2)=O)(C)C(C)C)C(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5486,null,"TRINEXAPAC","104273-73-6",null,null,"O=C1C(C(CC(C1)C(=O)O)=O)=C(O)C2CC2",null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5487,319,"2-Benzofurancarboxylic acid, 3-methoxy-","104315-56-2","COc1c2c(oc1C(=O)O)cccc2",null,"COc1c2c(oc1C(=O)O)cccc2","COc1c2c(oc1C(=O)O)cccc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5488,null,"2-THIOPHENESULFONAMIDE, 5-[(3-HYDROXYPROPYL)THIO","104437-99-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5489,null,"ACETIC ACID, 3-[[5-(AMINOSULFONYL)-2-THIENYL]SUL","104438-04-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5490,1619,"akh-7088","104459-82-7",null,"COCC(=NOCC(=O)OC)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",null,"COCC(=NOCC(=O)OC)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",2,0,2,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed, Name verified in PubChem"]
[5491,null,"Silafluofen","105024-66-6","CCOc1ccc(cc1)[Si](C)(C)CCCc2cc(c(cc2)F)Oc3ccccc3","CCOc1ccc(cc1)[Si](C)(C)CCCc2cc(c(cc2)F)Oc3ccccc3","CCOc1ccc(cc1)[Si](C)(C)CCCc2cc(c(cc2)F)Oc3ccccc3","CCOc1ccc(cc1)[Si](C)(C)CCCc2cc(c(cc2)F)Oc3ccccc3",4,0,0,"NO","NO","Eliminate","-",null,"Unusual elements"]
[5492,1469,"CLODINAFOP-PROPARGYL","105512-06-9","C#CCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)F","C#CCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)F","C#CCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)F","C#CCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)F",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5493,1713,"PYRIMIDIFEN","105779-78-0","CCOCCc1c(c(c(cc1)OCCNc2c(c(ncn2)CC)Cl)C)C","CCOCCc1c(c(c(cc1)OCCNc2c(c(ncn2)CC)Cl)C)C","CCOCCc1c(c(c(cc1)OCCN=c2c(c(nc[nH]2)CC)Cl)C)C","CCOCCc1c(c(c(cc1)OCCN=c2c(c(nc[nH]2)CC)Cl)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5494,633,"Valeric acid, 4-(benzamido)-","105900-63-8","CC(CCC(=O)O)NC(=O)c1ccccc1",null,"CC(CCC(=O)O)N=C(O)c1ccccc1","CC(CCC(=O)O)N=C(O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5495,null,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","105951-31-3",{"$nulls":3},"NS(=O)(=O)c1sc2c(c1)C(CCS2)=O",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5496,null,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","105951-32-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5497,null,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","105951-36-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5498,null,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","105951-71-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5499,2280,"2-BROMO-4-METHYL-5-NITRO-1H-IMIDAZOLE","105983-46-8","Cc1c([nH]c(n1)Br)[N+](=O)[O-]",null,"Cc1c([nH]c(n1)Br)[N+](=O)[O-]","Cc1c([nH]c(n1)Br)[N+](=O)[O-]",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5500,null,"Benzenesulfonamide, o-(3,4-dihydro-4-oxo-2-quina","106038-70-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5501,null,"Purine-7-acetamide, N,N-diethyl-1,2,3,6-tetrahyd","106164-79-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5502,43,"ACETAMIDE, 2-(BENZOYLOXY)-N-METHYL-","106231-50-9","CNC(=O)COC(=O)c1ccccc1",null,"CNC(=O)COC(=O)c1ccccc1","CNC(=O)COC(=O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5503,631,"ACETAMIDE, 2-(BENZOYLOXY)-N-PROPYL-","106231-51-0","CCCNC(=O)COC(=O)c1ccccc1",null,"CCCNC(=O)COC(=O)c1ccccc1","CCCNC(=O)COC(=O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5504,null,"ACETAMIDE, 2-(BENZOYLOXY)-N-(1,1-DIMETHYLETHYL)-","106231-52-1","CC(C)(C)NC(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5505,null,"ACETAMIDE, 2-[[(BENZOYLOXY)ACETYL]AMINO]-","106231-53-2","NC(=O)CNC(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5506,400,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-DIMETHYL-","106231-54-3","CN(C)C(=O)COC(=O)c1ccccc1",null,"CN(C)C(=O)COC(=O)c1ccccc1","CN(C)C(=O)COC(=O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5507,1354,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-DIPROPYL-","106231-55-4","CCCN(CCC)C(=O)COC(=O)c1ccccc1",null,"CCCN(CCC)C(=O)COC(=O)c1ccccc1","CCCN(CCC)C(=O)COC(=O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5508,null,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(1-METHYLETHYL)","106231-56-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5509,1518,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-DIBUTYL-","106231-57-6","CCCCN(CCCC)C(=O)COC(=O)c1ccccc1",null,"CCCCN(CCCC)C(=O)COC(=O)c1ccccc1","CCCCN(CCCC)C(=O)COC(=O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5510,null,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-PROPENYL)-","106231-58-7","C=CCN(CC=C)C(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5511,null,"ACETAMIDE, 2-(BENZOYLOXY)-N-(2-HYDROXYETHYL)-N-M","106231-59-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5512,null,"ACETAMIDE, 2-(BENZOYLOXY)-N-ETHYL-N-(2-HYDROXYET","106231-60-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5513,null,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-HYDROXYETHYL","106231-61-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5514,null,"ACETAMIDE, N-(2-AMINO-2-OXOETHYL)-2-(BENZOYLOXY)","106231-62-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5515,null,"GLYCINE, N-[(BENZOYLOXY)ACETYL]-N-METHYL-, ETHYL","106231-63-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5516,null,"GLYCINE, N-[(BENZOYLOXY)ACETYL]-N-METHYL-","106231-64-5","CN(CC(=O)O)C(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5517,null,"PIPERIDINE, 1-[(BENZOYLOXY)ACETYL]-","106231-67-8","O=C(OCC(=O)N1CCCCC1)c2ccccc2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5518,null,"MORPHOLINE, 4-[(BENZOYLOXY)ACETYL]-","106231-68-9","O=C(OCC(=O)N1CCOCC1)c2ccccc2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5519,null,"L-PROLINAMIDE,N2-[(BENZOYLOXY)ACETYL]-","106231-69-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5520,null,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","106319-38-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5521,null,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","106319-42-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5522,null,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","106319-44-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5523,null,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","106319-45-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5524,null,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","106319-46-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5525,1468,"BAS 480F","106325-08-0",null,null,"Fc1ccc(cc1)C2(C(O2)c3c(cccc3)Cl)Cn4ncnc4","Fc1ccc(cc1)C2(C(O2)c3c(cccc3)Cl)Cn4ncnc4",2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5526,null,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","106335-79-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5527,null,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","106400-04-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5528,null,"Sulfanilamide, N1-(4-isobutyl-2-pyrimidinyl)-","106596-34-3","CC(C)Cc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5529,null,"Acetanilide, 4'-(3-pyridazinylsulfamoyl)-","106840-27-1","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nnccc2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5530,2698,"Butanoic acid, 2-(formylamino)-","106873-99-8","CCC(NC=O)C(=O)O",null,"CCC(N=CO)C(=O)O","CCC(N=CO)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5531,null,"Sulfanilamide, N1-(4-pentyl-2-pyrimidinyl)-","107203-72-5","CCCCCc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5532,1441,"TEBUCONAZOLE","107534-96-3","CC(C)(C)C(O)(CCc1ccc(cc1)Cl)Cn2ncnc2","CC(C)(C)C(O)(CCc1ccc(cc1)Cl)Cn2ncnc2","CC(C)(C)C(O)(CCc1ccc(cc1)Cl)Cn2ncnc2","CC(C)(C)C(O)(CCc1ccc(cc1)Cl)Cn2ncnc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5533,null,"Glucopyranoside, propyl, tetranitrate,  -D-","108018-38-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5534,3690,"BENZENESULFONAMIDE, 4-[(2-HYDROXYETHYL)THIO]-","108966-48-9","NS(=O)(=O)c1ccc(cc1)SCCO",null,"NS(=O)(=O)c1ccc(cc1)SCCO","NS(=O)(=O)c1ccc(cc1)SCCO",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5535,null,"BENZENESULFONAMIDE, 4-[(2-HYDROXYETHYL)SULFONYL]","108966-49-0",{"$nulls":3},"NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCO",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5536,4119,"BENZENESULFONAMIDE, 4-[(3-HYDROXYPROPYL)THIO]-","108966-51-4","NS(=O)(=O)c1ccc(cc1)SCCCO",null,"NS(=O)(=O)c1ccc(cc1)SCCCO","NS(=O)(=O)c1ccc(cc1)SCCCO",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5537,null,"BENZENESULFONAMIDE, 4-[3-HYDROXY-3-METHYLBUTYL)T","108966-53-6",{"$nulls":3},"CC(C)(O)CCSc1ccc(cc1)S(N)(=O)=O",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5538,460,"BENZENESULFONAMIDE, 4-[(5-HYDROXYPENTYL)THIO]-","108966-54-7","NS(=O)(=O)c1ccc(cc1)SCCCCCO",null,"NS(=O)(=O)c1ccc(cc1)SCCCCCO","NS(=O)(=O)c1ccc(cc1)SCCCCCO",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5539,null,"BENZENESULFONAMIDE, 4-[(3-HYDROXYPROPYL)SULFONYL","108966-55-8",{"$nulls":3},"NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCO",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5540,null,"BENZENESULFONAMIDE, 4-[3-HYDROXY-3-METHYLBUTYL)S","108966-56-9",{"$nulls":3},"CC(C)(O)CCS(=O)(=O)c1ccc(cc1)S(N)(=O)=O",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5541,null,"BENZENESULFONAMIDE, 4-[(2-HYDROXYETHYL)THIO]-3-N","108966-58-1",{"$nulls":3},"NS(=O)(=O)c1cc(c(cc1)SCCO)[N+](=O)[O-]",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5542,null,"BENZENESULFONAMIDE, 4-[(3-HYDROXYPROPYL)THIO]-3-","108966-59-2","NS(=O)(=O)c1c(cccc1)SCCCO",null,null,"NS(=O)(=O)c1cc(c(cc1)SCCCO)[N+](=O)[O-]",0,2,2,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5543,null,"BENZOIC ACID, 5-(AMINOSULFONYL)-2-[(3-HYDROXYPRO","108966-66-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5544,null,"BENZOIC ACID, 5-(AMINOSULFONYL)-2-[(3-HYDROXYPRO","108966-67-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5545,null,"BENZENESULFONAMIDE, 3-FLUORO-4-[(2-HYDROXYETHYL)","108966-70-7",{"$nulls":3},"NS(=O)(=O)c1cc(c(cc1)SCCO)F",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5546,null,"BENZENESULFONAMIDE, 3-FLUORO-4-[(3-HYDROXYPROPYL","108966-74-1",{"$nulls":3},"NS(=O)(=O)c1cc(c(cc1)SCCCO)F",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5547,null,"BENZENESULFONAMIDE, 3-FLUORO-4-[(4-HYDROXYBUTYL)","108966-75-2",{"$nulls":3},"NS(=O)(=O)c1cc(c(cc1)SCCCCO)F",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5548,null,"BENZENESULFONAMIDE, 3-FLUORO-4-[(2-HYDROXYETHYL)","108966-76-3",{"$nulls":3},"NS(=O)(=O)c1cc(c(cc1)S(=O)(=O)CCO)F",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5549,null,"BENZENESULFONAMIDE, 3-FLUORO-4-[(3-HYDROXYPROPYL","108966-77-4",{"$nulls":3},"NS(=O)(=O)c1cc(c(cc1)S(=O)(=O)CCCO)F",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5550,null,"Benzenesulfonamide, 3-fluoro-4-[(4-hydroxybutyl)","108966-78-5",{"$nulls":3},"NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCCO",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5551,null,"Hexanedioic acid, 2,5-dihydroxy-2,5-dimethyl-","108967-69-7","CC(O)(CCC(C)(O)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5552,687,"4-Pyrimidinamine, 5-ethyl-2,6-dipropyl-","109217-08-5","CCCc1nc(c(c(n1)N)CC)CCC",null,"CCCc1[nH]c(c(c(n1)CCC)CC)=N","CCCc1[nH]c(c(c(n1)CCC)CC)=N",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5553,null,"bas65400h","109293-97-2",null,"CC(=NNC(=O)Nc1cc(cc(c1)F)F)c2c(cccn2)C(=O)O",null,"CC(=NNC(=O)Nc1cc(cc(c1)F)F)c2c(cccn2)C(=O)O",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[5554,1269,"Benzoic acid, o-phthalidyl-","109407-76-3","O=C(O)c1c(cccc1)C2c3c(C(O2)=O)cccc3",null,"O=C(O)c1c(cccc1)C2c3c(C(O2)=O)cccc3","O=C(O)c1c(cccc1)C2c3c(C(O2)=O)cccc3",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5555,1594,"Azacyclononadecan-2-one","109643-95-0","O=C1NCCCCCCCCCCCCCCCCC1",null,"OC=1CCCCCCCCCCCCCCCCCN1","OC=1CCCCCCCCCCCCCCCCCN1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5556,null,"Glucopyranoside, butyl, tetranitrate,  -D-","110056-75-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5557,null,"ACETAMIDE, N-[6,9-DIHYDRO-9-[(2-HYDROXYETHOXY)ME","110104-37-5",{"$nulls":3},"CC(=O)Nc1[nH]c2c(c(n1)=O)ncn2COCCO",1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on ChemID"]
[5558,1141,"MEPANIPYRIM","110235-47-7","CC#Cc1nc(nc(c1)C)Nc2ccccc2","CC#Cc1nc(nc(c1)C)Nc2ccccc2","CC#Cc1nc(nc(c1)C)Nc2ccccc2","CC#Cc1nc(nc(c1)C)Nc2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5559,1481,"PENTOXAZONE","110956-75-7",null,null,"CC(C)=C1C(N(C(O1)=O)c2c(cc(c(c2)OC3CCCC3)Cl)F)=O","CC(C)=C1C(N(C(O1)=O)c2c(cc(c(c2)OC3CCCC3)Cl)F)=O",2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5560,3691,"(2,4-dimethylphenyl)phosphonic acid","111192-85-9","Cc1cc(c(cc1)P(=O)(O)O)C",null,"Cc1cc(c(cc1)P(=O)(O)O)C","Cc1cc(c(cc1)P(=O)(O)O)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5561,1780,"PROPAQUIZAFOP","111479-05-1","CC(C)=NOCCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3","CC(C)=NOCCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3","CC(C)=NOCCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3","CC(C)=NOCCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5562,1799,"Metobenzuron","111578-32-6",null,null,"CON(C)C(=O)Nc1ccc(cc1)Oc2cc3c(cc2)C(CC(O3)(C)OC)(C)C","CON(C)C(=O)Nc1ccc(cc1)Oc2cc3c(cc2)C(CC(O3)(C)OC)(C)C",2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5563,null,"1-Heptanol, 2-methyl-, (.+-.)-","111675-77-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5564,null,"1-Heptanol, 4-methyl-, (+-)","111692-63-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5565,null,"1-Heptanol, 3-methyl-, (.+-.)-","111767-94-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5566,null,"1-Heptanol, 5-methyl-, (.+-.)-","111767-95-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5567,null,"1-Naphthalenesulfonic acid, 8-(2-hydroxy-1-napht","111797-49-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5568,1842,"Fenpyroximate","111812-58-9","Cc1c(c(n(n1)C)Oc2ccccc2)C=NOCc3ccc(cc3)C(=O)OC(C)(C)C","Cc1c(c(n(n1)C)Oc2ccccc2)C=NOCc3ccc(cc3)C(=O)OC(C)(C)C","Cc1c(c(n(n1)C)Oc2ccccc2)C=NOCc3ccc(cc3)C(=O)OC(C)(C)C","Cc1c(c(n(n1)C)Oc2ccccc2)C=NOCc3ccc(cc3)C(=O)OC(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5569,1839,"Halfenprox","111872-58-3","CC(C)(COCc1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)(F)Br","CC(C)(COCc1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)(F)Br","CC(C)(COCc1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)(F)Br","CC(C)(COCc1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)(F)Br",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5570,1067,"Triazamate","112143-82-5","CCOC(=O)CSc1n(nc(n1)C(C)(C)C)C(=O)N(C)C","CCOC(=O)CSc1n(nc(n1)C(C)(C)C)C(=O)N(C)C","CCOC(=O)CSc1n(nc(n1)C(C)(C)C)C(=O)N(C)C",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5571,1556,"HALOFENOZIDE","112226-61-6","CC(C)(C)N(NC(=O)c1ccc(cc1)Cl)C(=O)c2ccccc2","CC(C)(C)N(NC(=O)c1ccc(cc1)Cl)C(=O)c2ccccc2","CC(C)(C)N(NC(=O)c1ccc(cc1)Cl)C(=O)c2ccccc2","CC(C)(C)N(NC(=O)c1ccc(cc1)Cl)C(=O)c2ccccc2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5572,1797,"TEBUFENOZIDE","112410-23-8","CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C","CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C","CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C","CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5573,null,"Cyclanilide","113136-77-9","O=C(O)C1C(C1)C(=O)Nc2c(cc(cc2)Cl)Cl","O=C(O)C1C(C1)C(=O)Nc2c(cc(cc2)Cl)Cl","O=C(O)C1(CC1)C(=O)Nc2c(cc(cc2)Cl)Cl","O=C(O)C1(CC1)C(=O)Nc2c(cc(cc2)Cl)Cl",2,2,0,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5574,1387,"FENOXAPROP-P","113158-40-0","CC(Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3)C(=O)O","CC(Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3)C(=O)O","CC(Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3)C(=O)O","CC(Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5575,null,"Lumazine, 6,7-diethyl-","113222-29-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5577,null,"Benzenesulfonamide, 3-amino-4-[(4-aminophenyl)su","113597-77-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5578,null,"Benzenesulfonamide, 4-[(4-aminophenyl)sulfonyl]-","113597-78-7","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)S(N)(=O)=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5579,1346,"Imazamox","114311-32-9","COCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O","COCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O","COCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O","COCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5580,1626,"Fenbuconazole","114369-43-6","N#CC(CCc1ccc(cc1)Cl)(Cn2ncnc2)c3ccccc3","N#CC(CCc1ccc(cc1)Cl)(Cn2ncnc2)c3ccccc3","N#CC(CCc1ccc(cc1)Cl)(Cn2ncnc2)c3ccccc3","N#CC(CCc1ccc(cc1)Cl)(Cn2ncnc2)c3ccccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5581,2721,"2-Oxetanone, 3-ethyl-4-methyl-, (3S-trans)-","114592-79-9","CCC1C(OC1=O)C",null,"CCC1C(OC1=O)C","CCC1C(OC1=O)C",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[5582,405,"BENZOIC ACID, 2-HYDROXY-, 2-(DIMETHYLAMINO)-2-OX","114665-08-6",null,null,"CN(C)C(=O)COC(=O)c1c(cccc1)O","CN(C)C(=O)COC(=O)c1c(cccc1)O",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[5583,634,"BENZOIC ACID, 2-HYDROXY-, 2-[(2-HYDROXYETHYL)MET","114665-09-7",null,null,"CN(CCO)C(=O)COC(=O)c1c(cccc1)O","CN(CCO)C(=O)COC(=O)c1c(cccc1)O",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[5584,null,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-HYDROXYPROPY","115178-63-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5585,null,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-METHOXYETHYL","115178-64-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5586,null,"AZETIDINE, 1-[BENZOYLOXY(ACETYL)]-","115178-66-0","O=C(OCC(=O)N1CCC1)c2ccccc2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5587,null,"1H-AZEPINE, HEXAHYDRO-1-[(BENZOYLOXY)ACETYL]-","115178-68-2","O=C(OCC(=O)N1CCCCCC1)c2ccccc2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5588,null,"4-PIPERIDINOL, 1-[(BENZOYLOXY)ACETYL]-","115178-71-7","O=C(OCC(=O)N1CCC(CC1)O)c2ccccc2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5589,null,"2-AZETIDINECARBOXYLIC ACID, 1-[(BENZOYLOXY)ACETY","115178-74-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5590,1159,"L-PROLINE, N-[(BENZOYLOXY)ACETYL]-","115178-75-1","O=C(OCC(=O)N1C(CCC1)C(=O)O)c2ccccc2",null,"O=C(OCC(=O)N1C(CCC1)C(=O)O)c2ccccc2","O=C(OCC(=O)N1C(CCC1)C(=O)O)c2ccccc2",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[5591,1330,"L-PROLINE, N-[(BENZOYLOXY)ACETYL]-, METHYL ESTER","115178-76-2","COC(=O)C1N(CCC1)C(=O)COC(=O)c2ccccc2",null,"COC(=O)C1N(CCC1)C(=O)COC(=O)c2ccccc2","COC(=O)C1N(CCC1)C(=O)COC(=O)c2ccccc2",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[5592,630,"PROPANAMIDE, 3-(BENZOYLOXY)-N,N-DIMETHYL-","115178-77-3","CN(C)C(=O)CCOC(=O)c1ccccc1",null,"CN(C)C(=O)CCOC(=O)c1ccccc1","CN(C)C(=O)CCOC(=O)c1ccccc1",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5593,null,"BUTANAMIDE, 4-(BENZOYLOXY)-N,N-DIMETHYL-","115178-78-4","CN(C)C(=O)CCCOC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5594,null,"PROPANAMIDE, 2-(BENZOYLOXY)-N,N-DIETHYL-, (ñ)-","115178-79-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5595,null,"ACETAMIDE, N-ACETYL-2-(BENZOYLOXY)-N-METHYL-","115178-80-8","CC(=O)N(C)C(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5596,null,"ACETAMIDE, 2-(BENZOYLOXY)-N-(1-METHYLETHYL)-","115193-27-6","CC(C)NC(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5597,null,"ACETAMIDE, 2-(BENZOYLOXY)-N-BUTYL-","115193-28-7","CCCCNC(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5598,null,"ACETAMIDE, 2-(BENZOYLOXY)-N-HEXYL-","115193-29-8","CCCCCCNC(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5599,null,"PROPANAMIDE, 2-[[(BENZOYLOXY)ACETYL]AMINO]-","115193-30-1","CC(NC(=O)COC(=O)c1ccccc1)C(N)=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5600,null,"ACETAMIDE, 2-(BENZOYLOXY)-N-[2-HYDROXY-1,1-BIS(H","115193-31-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5601,null,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-METHYLPROPYL","115193-33-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5602,471,"1-HEXYL-4-CARBOXY-2-PYRROLIDONE","116167-27-2","CCCCCCN1C(CC(C1)C(=O)O)=O",null,null,"CCCCCCN1C(CC(C1)C(=O)O)=O",2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5603,997,"BROMUCONAZOLE","116255-48-2","Clc1cc(c(cc1)C2(OCC(C2)Br)Cn3ncnc3)Cl","Clc1cc(c(cc1)C2(OCC(C2)Br)Cn3ncnc3)Cl","Clc1cc(c(cc1)C2(OCC(C2)Br)Cn3ncnc3)Cl","Clc1cc(c(cc1)C2(OCC(C2)Br)Cn3ncnc3)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5604,null,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(DIETHYLAMINO)-2","116482-56-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5605,null,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(DIPROPYLAMINO)-","116482-75-8","CCCN(CCC)C1(C(C=CC=C1)C(=O)O)OC(C)=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5606,null,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-[BIS(1-METHYLETH","116482-76-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5607,null,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-[(2-ETHOXY-2-OXO","116482-77-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5608,null,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(4-MORPHOLINYL)-","116482-80-5","CC(=O)OC1(C(C=CC=C1)C(=O)O)N2CCOCC2",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5609,1533,"Novaluron","116714-46-6","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)OC(F)(F)C(F)OC(F)(F)F)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)OC(F)(F)C(F)OC(F)(F)F)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)OC(F)(F)C(F)OC(F)(F)F)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)OC(F)(F)C(F)OC(F)(F)F)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5610,2910,"sec-Butyl Ethylamine","116724-10-8","CCNC(C)CC","CCNC(C)CC",null,null,2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5611,1044,"DL-lysine, N2-benzoyl-","116783-33-6","NCCCCC(NC(=O)c1ccccc1)C(=O)O",null,"NCCCCC(N=C(O)c1ccccc1)C(=O)O","NCCCCC(N=C(O)c1ccccc1)C(=O)O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[5612,null,"Malic acid, S-ethyl dithiocarbonate","116977-37-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5613,1306,"Fluthiacet-methyl","117337-19-6","COC(=O)CSc1c(cc(c(c1)N=c2n3n(c(s2)=O)CCCC3)F)Cl","COC(=O)CSc1c(cc(c(c1)N=c2n3n(c(s2)=O)CCCC3)F)Cl","COC(=O)CSc1c(cc(c(c1)N=c2n3n(c(s2)=O)CCCC3)F)Cl","COC(=O)CSc1c(cc(c(c1)N=c2n3n(c(s2)=O)CCCC3)F)Cl",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5614,null,"L-Altraric acid","117468-79-8","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Stereochemistry removed, Checked on PubChem"]
[5615,null,"Glucopyranoside, ethyl, tetranitrate,  -D-","117608-69-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5616,1419,"Thiazopyr","117718-60-2","COC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C=2SCCN2)CC(C)C","COC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C=2SCCN2)CC(C)C","COC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C=2SCCN2)CC(C)C","COC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C=2SCCN2)CC(C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5617,1595,"kwg4168","118134-30-8",null,"CCCN(CC)CC1OC2(OC1)CCC(CC2)C(C)(C)C",null,"CCCN(CC)CC1OC2(OC1)CCC(CC2)C(C)(C)C",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[5618,4002,"Benzeneethanol, 4-hydroxy-3-nitro-","118172-64-8","O=[N+]([O-])c1c(ccc(c1)CCO)O",null,"O=[N+]([O-])c1c(ccc(c1)CCO)O","O=[N+]([O-])c1c(ccc(c1)CCO)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5619,null,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(ETHYLAMINO)-2-O","118247-01-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5620,null,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-[(2-AMINO-2-OXOE","118247-02-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5621,null,"GLYCINE, N-[[[2-(ACETYLOXY)BENZOYL]OXY]ACETYL]-,","118247-03-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5622,null,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(DIMETHYLAMINO)-","118247-04-4","CC(=O)OC1(C(C=CC=C1)C(=O)O)N(C)C",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5623,1172,"BENZOIC ACID, 2-(ACETYLOXY)-, (1-OXOBUTOXY)METHY","118247-07-7",null,null,"CCCC(=O)OCOC(=O)c1c(cccc1)OC(C)=O","CCCC(=O)OCOC(=O)c1c(cccc1)OC(C)=O",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[5624,4315,"1(3H)-Isobenzofuranone, 6-amino-3-methyl-","118343-31-0","CC1c2c(C(O1)=O)cc(N)cc2",null,"CC1c2c(C(O1)=O)cc(N)cc2","CC1c2c(C(O1)=O)cc(N)cc2",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5625,1282,"Transfluthrin","118712-89-3","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2c(c(cc(c2F)F)F)F)C","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2c(c(cc(c2F)F)F)F)C","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2c(c(cc(c2F)F)F)F)C","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2c(c(cc(c2F)F)F)F)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5626,null,"D-Glucose, 1-(carbamoylimino)-1-deoxy-","118923-30-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5627,567,"2-THIOPHENESULFONAMIDE, 4-(4-METHOXYBENZOYL)-","118976-97-9","COc1ccc(cc1)C(=O)c2cc(sc2)S(N)(=O)=O",null,"COc1ccc(cc1)C(=O)c2cc(sc2)S(N)(=O)=O","COc1ccc(cc1)C(=O)c2cc(sc2)S(N)(=O)=O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5628,null,"2-THIOPHENESULFONAMIDE, 4-(4-HYDROXYBENZOYL)-","118993-57-0","NS(=O)(=O)c1scc(c1)C(=O)c2ccc(cc2)O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[5629,null,"2-FURANSULFONAMIDE, 4-(4-METHOXYBENZOYL)-","118993-61-6","COc1ccc(cc1)C(=O)c2cc(oc2)S(N)(=O)=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[5630,null,"2-THIOPHENESULFONAMIDE, 4-(4-METHYLBENZOYL)-","119018-06-3","Cc1ccc(cc1)C(=O)c2cc(sc2)S(N)(=O)=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[5631,1610,"Flupoxam","119126-15-7","NC(=O)c1nn(c(n1)-c2ccccc2)-c3cc(c(cc3)Cl)COCC(F)(F)C(F)(F)F","NC(=O)c1nn(c(n1)-c2ccccc2)-c3cc(c(cc3)Cl)COCC(F)(F)C(F)(F)F","NC(=O)c1nn(c(n1)-c2ccccc2)-c3cc(c(cc3)Cl)COCC(F)(F)C(F)(F)F","NC(=O)c1nn(c(n1)-c2ccccc2)-c3cc(c(cc3)Cl)COCC(F)(F)C(F)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5632,1573,"Tebufenpyrad","119168-77-3","CCc1c(c(n(n1)C)C(=O)NCc2ccc(cc2)C(C)(C)C)Cl","CCc1c(c(n(n1)C)C(=O)NCc2ccc(cc2)C(C)(C)C)Cl","CCc1c(c(n(n1)C)C(=O)NCc2ccc(cc2)C(C)(C)C)Cl","CCc1c(c(n(n1)C)C(=O)NCc2ccc(cc2)C(C)(C)C)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5633,1623,"Difenoconazole","119446-68-3","CC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Oc4ccc(cc4)Cl)Cl","CC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Oc4ccc(cc4)Cl)Cl","CC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Oc4ccc(cc4)Cl)Cl","CC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Oc4ccc(cc4)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5634,null,"2-THIOPHENESULFONAMIDE, 4-[(4-METHOXYPHENYL)SULF","119731-18-9",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5635,1779,"QUIZALOFOP-P-TEFURYL","119738-06-6","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)OCC4OCCC4","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)OCC4OCCC4","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)OCC4OCCC4","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)OCC4OCCC4",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5636,763,"Fipronil","120068-37-3","N#Cc1c(c(n(n1)-c2c(cc(cc2Cl)C(F)(F)F)Cl)N)S(=O)C(F)(F)F","N#Cc1c(c(n(n1)-c2c(cc(cc2Cl)C(F)(F)F)Cl)N)S(=O)C(F)(F)F","N#Cc1c(c(n(n1)-c2c(cc(cc2Cl)C(F)(F)F)Cl)N)S(=O)C(F)(F)F",null,3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5637,1028,"Azimsulfuron","120162-55-2","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n(ncc2-c3nn(nn3)C)C","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n(ncc2-c3nn(nn3)C)C","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n(ncc2-c3nn(nn3)C)C","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n(ncc2-c3nn(nn3)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5638,426,"NITENPYRAM","120738-89-8","CCN(Cc1cnc(cc1)Cl)C(=C[N+](=O)[O-])NC",null,"CCN(Cc1cnc(cc1)Cl)C(=C[N+](=O)[O-])NC","CCN(Cc1cnc(cc1)Cl)C(=C[N+](=O)[O-])NC",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[5639,1696,"FENAZAQUIN","120928-09-8","CC(C)(C)c1ccc(cc1)CCOc2c3c(ncn2)cccc3","CC(C)(C)c1ccc(cc1)CCOc2c3c(ncn2)cccc3","CC(C)(C)c1ccc(cc1)CCOc2c3c(ncn2)cccc3","CC(C)(C)c1ccc(cc1)CCOc2c3c(ncn2)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5640,149,"3-p-anisidino-propane-1,2-diol","121082-77-7","COc1ccc(cc1)NCC(O)CO",null,"COc1ccc(cc1)NCC(O)CO","COc1ccc(cc1)NCC(O)CO",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5641,null,"cga219417(cyprodinil)","121552-61-2",null,"Cc1nc(nc(c1)C2CC2)Nc3ccccc3",null,"Cc1nc(nc(c1)C2CC2)Nc3ccccc3",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5642,388,"Furilazole","121776-33-8",null,"CC1(N(CC(O1)c2occc2)C(=O)C(Cl)Cl)C","CC1(N(CC(O1)c2occc2)C(=O)C(Cl)Cl)C","CC1(N(CC(O1)c2occc2)C(=O)C(Cl)Cl)C",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5644,null,"2H-1,2,3-Triazole-4-carboxylic acid, 5-(2-carbox","122510-85-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5645,1138,"IMAZOSULFURON","122548-33-8","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n3c(nc2Cl)cccc3","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n3c(nc2Cl)cccc3","COc1nc(nc(c1)OC)N=C(O)NS(=O)(=O)c2n3c(nc2Cl)cccc3","COc1nc(nc(c1)OC)N=C(O)NS(=O)(=O)c2n3c(nc2Cl)cccc3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5646,3151,"L-Asparagine, N2-(chloroacetyl)-","122723-93-7","NC(=O)CC(NC(=O)CCl)C(=O)O",null,null,"NC(=O)CC(NC(=O)CCl)C(=O)O",2,0,2,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed, Checked on PubChem"]
[5647,1178,"RIMSULFURON","122931-48-0","CCS(=O)(=O)c1c(nccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC","CCS(=O)(=O)c1c(nccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC","CCS(=O)(=O)c1c(nccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC","CCS(=O)(=O)c1c(nccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5648,627,"4-Piperidinol, benzoate (ester)","123202-89-1",null,null,"O=C(OC1CCNCC1)c2ccccc2","O=C(OC1CCNCC1)c2ccccc2",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[5649,37,"Pymetrozine","123312-89-0","CC=1CN(C(NN1)=O)N=Cc2cnccc2","CC=1CN(C(NN1)=O)N=Cc2cnccc2","CC=1CN(C(NN1)=O)N=Cc2cnccc2","CC=1CN(C(NN1)=O)N=Cc2cnccc2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5650,2824,"Hexanal, 5-hydroxy-, (R)-","123411-56-3","CC(O)CCCC=O",null,"CC(O)CCCC=O","CC(O)CCCC=O",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[5651,1059,"Heptanoic acid, 7-benzenesulfonylamino","123469-53-4",null,null,"O=C(O)CCCCCCNS(=O)(=O)c1ccccc1","O=C(O)CCCCCCNS(=O)(=O)c1ccccc1",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[5652,null,"Phthalic acid, 3,4-dimethoxy-, 2-ethyl ester","123796-70-3","CCOC(=O)c1c(c(c(cc1)OC)OC)C(=O)O",null,null,"CCOC(=O)c1c(c(c(cc1)OC)OC)C(=O)O",2,0,2,"NO","NO","Manual Check","Search at least one confirmation"]
[5653,1381,"Quinoline, 5,7-dichloro-4-(4-fluorophenoxy)-","124495-18-7","Fc1ccc(cc1)Oc2c3c(ncc2)cc(Cl)cc3Cl","Fc1ccc(cc1)Oc2c3c(ncc2)cc(Cl)cc3Cl","Fc1ccc(cc1)Oc2c3c(ncc2)cc(Cl)cc3Cl","Fc1ccc(cc1)Oc2c3c(ncc2)cc(Cl)cc3Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5654,1511,"METCONAZOLE","125116-23-6","CC1(C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C","CC1(C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C","CC1(C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C","CC1(C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5655,1572,"IPCONAZOLE","125225-28-7",null,"CC(C)C1C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3","CC(C)C1C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3","CC(C)C1C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5656,1444,"Cafenstrole","125306-83-4","CCN(CC)C(=O)n1nc(nc1)S(=O)(=O)c2c(cc(cc2C)C)C","CCN(CC)C(=O)n1nc(nc1)S(=O)(=O)c2c(cc(cc2C)C)C","CCN(CC)C(=O)n1nc(nc1)S(=O)(=O)c2c(cc(cc2C)C)C","CCN(CC)C(=O)n1nc(nc1)S(=O)(=O)c2c(cc(cc2C)C)C",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5657,38,"2-Butenamide, N-(4-hydroxyphenyl)-","125349-99-7","CC=CC(=O)Nc1ccc(cc1)O",null,"CC=CC(=O)Nc1ccc(cc1)O","CC=CC(=O)Nc1ccc(cc1)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5658,null,"Spiro[benzofuran-2(3H),1'-[2]cyclhexene-3,4'-dio","125644-63-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5659,3707,"Butanamide, N-(aminocarbonyl)-2-cyano-2-ethyl-","126245-49-6","CCC(C#N)(CC)C(=O)NC(N)=O",null,"CCC(C#N)(CC)C(O)=NC(=N)O","CCC(C#N)(CC)C(O)=NC(=N)O",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5660,1337,"Ethoxysulfuron","126801-58-9","CCOc1c(cccc1)OS(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",null,"CCOc1c(cccc1)OS(=O)(=O)NC(O)=Nc2nc(cc(n2)OC)OC","CCOc1c(cccc1)OS(=O)(=O)NC(O)=Nc2nc(cc(n2)OC)OC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5661,null,"KTU 3616 (BR enantiomer)","127640-90-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5662,null,"2-THIOPHENESULFONAMIDE, 4-[(4-METHYLPHENYL)SULFO","128348-32-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5663,null,"2-FURANSULFONAMIDE, 4-[(4-METHYLPHENYL)SULFONYL]","128348-34-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5664,null,"2-FURANSULFONAMIDE, 4-[(4-METHOXYPHENYL)SULFONYL","128348-35-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5665,null,"2-THIOPHENESULFONAMIDE, 4-[(4-HYDROXYPHENYL)SULF","128348-42-5",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5666,null,"2-THIOPHENESULFONAMIDE, 4-[(3-HYDROXYPHENYL)SULF","128348-43-6",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5667,null,"2-FURANSULFONAMIDE, 4-[(4-HYDROXYPHENYL)SULFONYL","128348-44-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5668,1298,"Carfentrazone-ethyl","128639-02-1","CCOC(=O)C(Cl)Cc1c(cc(c(c1)-n2c(n(c(n2)C)C(F)F)=O)F)Cl","CCOC(=O)C(Cl)Cc1c(cc(c(c1)-n2c(n(c(n2)C)C(F)F)=O)F)Cl","CCOC(=O)C(Cl)Cc1c(cc(c(c1)-n2c(n(c(n2)C)C(F)F)=O)F)Cl","CCOC(=O)C(Cl)Cc1c(cc(c(c1)-n2c(n(c(n2)C)C(F)F)=O)F)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5669,null,"1,2-Benzenedicarboxylic acid, 3,4-dimethoxy-, 2-","128823-80-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5670,982,"Clofencet","129025-54-3","CCc1n(ncc(c1C(=O)O)=O)-c2ccc(cc2)Cl","CCc1n(ncc(c1C(=O)O)=O)-c2ccc(cc2)Cl","CCc1n(ncc(c1C(=O)O)=O)-c2ccc(cc2)Cl","CCc1n(ncc(c1C(=O)O)=O)-c2ccc(cc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5671,null,"N - (2 - CHLOROETHYL) - N - NITROSO - N' - [2 -","129085-57-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5672,null,"[[3-[[[(2-CHLOROETHYL) NITROSOAMINO] CARBONYL] A","129085-58-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5673,null,"SSF-109 FUNGICIDE","129586-32-9",null,"OC1(C(CCCCC1)n2ncnc2)c3ccc(cc3)Cl",null,null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5674,null,"PYRAFLUFEN-ETHYL","129630-17-7","CCOC(=O)COc1c(cc(c(c1)-c2c(c(n(n2)C)OC(F)F)Cl)F)Cl",null,"CCOC(=O)COc1c(cc(c(c1)-c2c(c(n(n2)C)OC(F)F)Cl)F)Cl","Cn1c(c(c(n1)-c2c(cc(c(c2)OCC(=O)O)Cl)F)Cl)OC(F)F",2,1,1,"NO","YES","Eliminate","-",null,"Missing/ambiguous"]
[5675,1082,"Thifluzamide","130000-40-7",null,"Cc1sc(c(n1)C(F)(F)F)C(=O)Nc2c(cc(cc2Br)OC(F)(F)F)Br","Cc1sc(c(n1)C(F)(F)F)C(O)=Nc2c(cc(cc2Br)OC(F)(F)F)Br","Cc1sc(c(n1)C(F)(F)F)C(O)=Nc2c(cc(cc2Br)OC(F)(F)F)Br",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5676,1315,"DIFLUMETORIM","130339-07-0",null,null,"CCC(Nc1c(c(ncn1)C)Cl)c2ccc(cc2)OC(F)F","CCC(Nc1c(c(ncn1)C)Cl)c2ccc(cc2)OC(F)F",2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5677,862,"FLUDIOXONIL","131341-86-1","N#Cc1c(c[nH]c1)-c2c3c(ccc2)OC(O3)(F)F","N#Cc1c(c[nH]c1)-c2c3c(ccc2)OC(O3)(F)F","N#Cc1c(c[nH]c1)-c2c3c(ccc2)OC(O3)(F)F","N#Cc1c(c[nH]c1)-c2c3c(ccc2)OC(O3)(F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5678,1772,"Famoxadone","131807-57-3","CC1(C(N(C(O1)=O)Nc2ccccc2)=O)c3ccc(cc3)Oc4ccccc4","CC1(C(N(C(O1)=O)Nc2ccccc2)=O)c3ccc(cc3)Oc4ccccc4","CC1(C(N(C(O1)=O)Nc2ccccc2)=O)c3ccc(cc3)Oc4ccccc4","CC1(C(N(C(O1)=O)Nc2ccccc2)=O)c3ccc(cc3)Oc4ccccc4",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5679,1770,"Azoxystrobin","131860-33-8","COC=C(C(=O)OC)c1c(cccc1)Oc2ncnc(c2)Oc3c(cccc3)C#N","COC=C(C(=O)OC)c1c(cccc1)Oc2ncnc(c2)Oc3c(cccc3)C#N","COC=C(C(=O)OC)c1c(cccc1)Oc2ncnc(c2)Oc3c(cccc3)C#N","COC=C(C(=O)OC)c1c(cccc1)Oc2ncnc(c2)Oc3c(cccc3)C#N",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5680,1497,"Triticonazole","131983-72-7","CC1(C(C(CC1)=Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C","CC1(C(C(CC1)=Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C","CC1(C(C(CC1)=Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C","CC1(C(C(CC1)=Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5681,1691,"INDANOFAN","133220-30-1",null,null,"CCC1(C(c2c(C1=O)cccc2)=O)CC3(OC3)c4cc(ccc4)Cl","CCC1(C(c2c(C1=O)cccc2)=O)CC3(OC3)c4cc(ccc4)Cl",2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5682,null,"ssf-126","133408-50-1",null,"CNC(=O)C(=NOC)c1c(cccc1)Oc2ccccc2",null,"CN=C(O)C(=NOC)c1c(cccc1)Oc2ccccc2",2,0,2,"NO","NO","Manual Check","Verify Name",null,"Stereochemistry removed"]
[5683,3889,"CGA 245704","135158-54-2","CSC(=O)c1c2c(ccc1)nns2","CSC(=O)c1c2c(ccc1)nns2","CSC(=O)c1c2c(ccc1)nns2","CSC(=O)c1c2c(ccc1)nns2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5684,24,"ACETAMIPRID","135410-20-7","CC(=NC#N)N(C)Cc1cnc(cc1)Cl","CC(=NC#N)N(C)Cc1cnc(cc1)Cl","CC(=NC#N)N(C)Cc1cnc(cc1)Cl","CC(=NC#N)N(C)Cc1cnc(cc1)Cl",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5685,1421,"Mefenpyr-diethyl","135590-91-9","CCOC(=O)C=1CC(N(N1)c2c(cc(cc2)Cl)Cl)(C)C(=O)OCC",null,"CCOC(=O)C=1CC(N(N1)c2c(cc(cc2)Cl)Cl)(C)C(=O)OCC","CCOC(=O)C=1CC(N(N1)c2c(cc(cc2)Cl)Cl)(C)C(=O)OCC",3,0,1,"NO","NO","Mantain","Medium Reliability",""]
[5686,null,"2-THIOPHENESULFONAMIDE, 5-[(4-HYDROXYBUTYL)THIO]","135832-38-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5687,null,"2-THIOPHENESULFONAMIDE, 5-[(4-HYDROXYBUTYL)SULFO","135832-39-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5688,null,"BENZENESULFONAMIDE, 4-[(4-HYDROXYBUTYL)THIO]-","135832-41-6","NS(=O)(=O)c1ccc(cc1)SCCCCO",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[5689,null,"BENZENESULFONAMIDE, 4-[(4-HYDROXYBUTYL)SULFONYL]","135832-42-7",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5690,null,"BENZENESULFONAMIDE, 3-AMINO-4-[(2-HYDROXYETHYL)S","135832-45-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5691,null,"BENZENESULFONAMIDE, 4-(3-HYDROXYPROPYL)-","135832-46-1","NS(=O)(=O)c1ccc(cc1)CCCO",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5692,null,"ACETIC ACID, 3-[4-(AMINOSULFONYL)PHENYL]PROPYL E","135832-47-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5693,null,"BENZENESULFONAMIDE, 4-(4-HYDROXYBUTYL)-","135832-48-3","NS(=O)(=O)c1ccc(cc1)CCCCO",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[5694,null,"BENZENESULFONAMIDE, 4-(5-HYDROXYPENTYL)-","135832-50-7","NS(=O)(=O)c1ccc(cc1)CCCCCO",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least one confirmation",null,"Checked on PubChem"]
[5695,null,"ACETIC ACID, 5-[4-(AMINOSULFONYL)PHENYL]PENTYL E","135832-51-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5696,null,"TRIFLUSULFURON-METHYL","135990-29-3","COC(=O)c1c(c(ccc1)C)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OCC(F)(F)F)N(C)C","Cc1c(c(ccc1)C(=O)O)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OCC(F)(F)F)N(C)C","COC(=O)c1c(c(ccc1)C)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OCC(F)(F)F)N(C)C","Cc1c(c(ccc1)C(=O)O)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OCC(F)(F)F)N(C)C",2,2,0,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5697,1489,"Pyriminobac-methyl","136191-64-5","CON=C(C)c1c(c(ccc1)Oc2nc(cc(n2)OC)OC)C(=O)OC","CON=C(C)c1c(c(ccc1)Oc2nc(cc(n2)OC)OC)C(=O)OC","CON=C(C)c1c(c(ccc1)Oc2nc(cc(n2)OC)OC)C(=O)OC","CON=C(C)c1c(c(ccc1)Oc2nc(cc(n2)OC)OC)C(=O)OC",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5698,1460,"Fluquinconazole","136426-54-5","O=c1n(c(nc2c1cc(F)cc2)-n3ncnc3)-c4c(cc(cc4)Cl)Cl","O=c1n(c(nc2c1cc(F)cc2)-n3ncnc3)-c4c(cc(cc4)Cl)Cl","O=c1n(c(nc2c1cc(F)cc2)-n3ncnc3)-c4c(cc(cc4)Cl)Cl","O=c1n(c(nc2c1cc(F)cc2)-n3ncnc3)-c4c(cc(cc4)Cl)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5699,1490,"Cyclosulfamuron","136849-15-5","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Nc2c(cccc2)C(=O)C3CC3","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Nc2c(cccc2)C(=O)C3CC3","COc1nc(nc(c1)OC)N=C(O)NS(=O)(=O)Nc2c(cccc2)C(=O)C3CC3","COc1nc(nc(c1)OC)N=C(O)NS(=O)(=O)Nc2c(cccc2)C(=O)C3CC3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5700,null,"Ethyl 2-formamido (dioxo-phenyl) acrylate","136986-57-7",null,null,"CCOC(=O)C(=Cc1cc2c(cc1)OCO2)N=CO","CCOC(=O)C(=Cc1cc2c(cc1)OCO2)N=CO",2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Stereochemistry removed"]
[5701,null,"Ethyl 2-formamido (3,4-dimethoxyphenyl) acrylate","136986-58-8",null,null,"CCOC(=O)C(=Cc1cc(c(cc1)OC)OC)N=CO","CCOC(=O)C(=Cc1cc(c(cc1)OC)OC)N=CO",2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Stereochemistry removed"]
[5702,null,"Ethyl 2-formamido (4-methoxyphenyl) acrylate","136986-59-9",null,null,"CCOC(=O)C(=Cc1ccc(cc1)OC)N=CO","CCOC(=O)C(=Cc1ccc(cc1)OC)N=CO",2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Stereochemistry removed"]
[5703,null,"Ethyl 2-formamido (4-nitrophenyl) acrylate","136986-60-2",null,null,"CCOC(=O)C(=Cc1ccc(cc1)[N+](=O)[O-])N=CO","CCOC(=O)C(=Cc1ccc(cc1)[N+](=O)[O-])N=CO",2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Stereochemistry removed"]
[5704,null,"Ethyl 2-formamido (3-nitrophenyl) acrylate","136986-61-3",null,null,"CCOC(=O)C(=Cc1cc(ccc1)[N+](=O)[O-])N=CO","CCOC(=O)C(=Cc1cc(ccc1)[N+](=O)[O-])N=CO",2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Stereochemistry removed"]
[5705,null,"Ethyl 2-formamido (4-chlorophenyl) acrylate","136986-62-4",null,null,"CCOC(=O)C(=Cc1ccc(cc1)Cl)N=CO","CCOC(=O)C(=Cc1ccc(cc1)Cl)N=CO",2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Stereochemistry removed"]
[5706,null,"Isopropyl (4-chlorophenyl)sulfonyl acetate","136991-36-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5707,null,"Ethyl 2-formamido (3-chlorophenyl) acrylate","137013-29-7",null,null,"CCOC(=O)C(=Cc1cc(ccc1)Cl)N=CO","CCOC(=O)C(=Cc1cc(ccc1)Cl)N=CO",2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Stereochemistry removed"]
[5708,4012,"IMIDACLOPRID","138261-41-3","O=[N+]([O-])NC=1N(CCN1)Cc2cnc(cc2)Cl","O=[N+]([O-])NC=1N(CCN1)Cc2cnc(cc2)Cl","O=[N+]([O-])N=C1N(CCN1)Cc2cnc(cc2)Cl","O=[N+]([O-])N=C1N(CCN1)Cc2cnc(cc2)Cl",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5709,1137,"Metosulam","139528-85-1","COc1nc2n(c(c1)OC)nc(S(=O)(=O)Nc3c(c(ccc3Cl)C)Cl)n2","COc1nc2n(c(c1)OC)nc(S(=O)(=O)Nc3c(c(ccc3Cl)C)Cl)n2","COc1nc2n(c(c1)OC)nc(S(=O)(=O)Nc3c(c(ccc3Cl)C)Cl)n2","COc1nc2n(c(c1)OC)nc(S(=O)(=O)Nc3c(c(ccc3Cl)C)Cl)n2",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5710,1284,"Isoxaflutole","141112-29-0","CS(=O)(=O)c1c(ccc(c1)C(F)(F)F)C(=O)c2c(onc2)C3CC3","CS(=O)(=O)c1c(ccc(c1)C(F)(F)F)C(=O)c2c(onc2)C3CC3","CS(=O)(=O)c1c(ccc(c1)C(F)(F)F)C(=O)c2c(onc2)C3CC3","CS(=O)(=O)c1c(ccc(c1)C(F)(F)F)C(=O)c2c(onc2)C3CC3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5711,1425,"SULFOSULFURON","141776-32-1","CCS(=O)(=O)c1c(n2c(n1)cccc2)S(=O)(=O)NC(=O)Nc3nc(cc(n3)OC)OC","CCS(=O)(=O)c1c(n2c(n1)cccc2)S(=O)(=O)NC(=O)Nc3nc(cc(n3)OC)OC","CCS(=O)(=O)c1c(n2c(n1)cccc2)S(=O)(=O)NC(=O)Nc3nc(cc(n3)OC)OC","CCS(=O)(=O)c1c(n2c(n1)cccc2)S(=O)(=O)NC(=O)Nc3nc(cc(n3)OC)OC",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5712,1139,"Fluthiamide","142459-58-3","CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c2ccc(cc2)F","CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c2ccc(cc2)F","CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c2ccc(cc2)F","CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c2ccc(cc2)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5713,1557,"BAS 490F","143390-89-0","CON=C(C(=O)OC)c1c(cccc1)COc2c(cccc2)C","CON=C(C(=O)OC)c1c(cccc1)COc2c(cccc2)C",null,"CON=C(C(=O)OC)c1c(cccc1)COc2c(cccc2)C",3,0,1,"NO","NO","Mantain","Medium Reliability","","Stereochemistry removed"]
[5714,1486,"Oxasulfuron","144651-06-9","Cc1nc(nc(c1)C)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC3COC3","Cc1nc(nc(c1)C)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC3COC3","Cc1nc(nc(c1)C)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC3COC3","Cc1nc(nc(c1)C)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC3COC3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5715,null,"methyl(1-(4-methyl)phenylsulfonyl)cyclopropane","145348-19-2",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5716,null,"ethyl(1-(4-methyl)phenylsulfonyl)cyclopropane","145348-20-5",null,"CCOC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C",null,"CCOC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5717,null,"isopropyl(1-(4-methyl)phenylsulfonyl)cycloprop","145348-21-6",null,"Cc1ccc(cc1)S(=O)(=O)C2(CC2)C(=O)OC(C)C",null,"Cc1ccc(cc1)S(=O)(=O)C2(CC2)C(=O)OC(C)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5718,null,"methyl(1-(4-chloro)phenylsulfonyl)cyclopropane","145348-22-7",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5719,null,"isopropyl(1-(4-chloro)phenylsulfonyl)cycloprop","145348-23-8",null,"CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",null,"CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5720,null,"tert-butyl(1-(4-chloro)phenylsulfonyl)cyclopro","145348-24-9",null,"CC(C)(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",null,"CC(C)(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5721,null,"methyl(1-(4-bromo)phenylsulfonyl)cyclopropane","145348-25-0",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Br",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Br",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5722,null,"methyl(1-(4-nitro)phenylsulfonyl)cyclopropane","145348-26-1",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5723,null,"isopropyl(1-(4-nitro)phenylsulfonyl)cyclopropa","145348-27-2",null,"CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",null,"CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5724,1685,"Trovafloxacin","147059-72-1","NC1C2C1CN(c3c(cc4c(n3)n(cc(c4=O)C(=O)O)-c5c(cc(cc5)F)F)F)C2","NC1C2C1CN(c3c(cc4c(n3)n(cc(c4=O)C(=O)O)-c5c(cc(cc5)F)F)F)C2","NC1C2C1CN(c3c(cc4c(n3)n(cc(c4=O)C(=O)O)-c5c(cc(cc5)F)F)F)C2","NC1C2C1CN(c3c(cc4c(n3)n(cc(c4=O)C(=O)O)-c5c(cc(cc5)F)F)F)C2",4,0,0,"NO","NO","Mantain","High Reliability","","Stereochemistry removed"]
[5725,null,"cloransulam","147150-35-4",null,"CCOc1n2c(cc(n1)F)nc(S(=O)(=O)Nc3c(cccc3Cl)C(=O)OC)n2","CCOc1n2c(cc(n1)F)nc(S(=O)(=O)Nc3c(cccc3Cl)C(=O)O)n2","CCOc1n2c(cc(n1)F)nc(S(=O)(=O)Nc3c(cccc3Cl)C(=O)OC)n2",2,1,1,"NO","NO","Manual Check","Verify Name"]
[5726,null,"d2341(bifenazate)","149877-41-8",null,"COc1c(cc(cc1)-c2ccccc2)NNC(=O)OC(C)C",null,"COc1c(cc(cc1)-c2ccccc2)NNC(=O)OC(C)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5727,1694,"OXAZICLOMEFONE","153197-14-9",null,null,"CC=1OCN(C(C1c2ccccc2)=O)C(C)(C)c3cc(cc(c3)Cl)Cl","CC=1OCN(C(C1c2ccccc2)=O)C(C)(C)c3cc(cc(c3)Cl)Cl",2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5728,1743,"ETOXAZOLE","153233-91-1","CCOc1c(ccc(c1)C(C)(C)C)C2N=C(OC2)c3c(cccc3F)F","CCOc1c(ccc(c1)C(C)(C)C)C2N=C(OC2)c3c(cccc3F)F","CCOc1c(ccc(c1)C(C)(C)C)C2N=C(OC2)c3c(cccc3F)F","CCOc1c(ccc(c1)C(C)(C)C)C2N=C(OC2)c3c(cccc3F)F",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5729,null,"Fluroxypyr-2-butoxy-1-methylethyl","154486-27-8",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing/ambiguous"]
[5730,886,"2,3',4-Trichlorodiphenyl ether","155999-93-2",null,null,"Clc1cc(ccc1)Oc2c(cc(cc2)Cl)Cl","Clc1cc(ccc1)Oc2c(cc(cc2)Cl)Cl",2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5731,888,"2,3,4'-Trichlorodiphenyl ether","157683-71-1",null,null,"Clc1ccc(cc1)Oc2c(c(ccc2)Cl)Cl","Clc1ccc(cc1)Oc2c(c(ccc2)Cl)Cl",2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5732,889,"2,4',6-Trichlorodiphenyl ether","157683-72-2",null,null,"Clc1ccc(cc1)Oc2c(cccc2Cl)Cl","Clc1ccc(cc1)Oc2c(cccc2Cl)Cl",2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5733,1431,"FENTRAZAMIDE","158237-07-1","CCN(C(=O)n1c(n(nn1)-c2c(cccc2)Cl)=O)C3CCCCC3","CCN(C(=O)n1c(n(nn1)-c2c(cccc2)Cl)=O)C3CCCCC3","CCN(C(=O)n1c(n(nn1)-c2c(cccc2)Cl)=O)C3CCCCC3","CCN(C(=O)n1c(n(nn1)-c2c(cccc2)Cl)=O)C3CCCCC3",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5734,null,"isopropyl(1-(4-nitro)phenylsulfonyl)cyclobutan","160790-03-4",null,"CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",null,"CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5735,null,"isopropyl(1-(4-nitro)phenylsulfonyl)cyclohexan","160790-04-5",null,"CC(C)OC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",null,"CC(C)OC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5736,null,"isopropyl(1-(4-nitro)phenylsulfonyl)cyclohepta","160790-05-6",null,"CC(C)OC(=O)C1(CCCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",null,"CC(C)OC(=O)C1(CCCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5737,null,"me(1-(4-bromo)phenylsulfonyl)cyclobutanecarbo","160790-06-7",null,"COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Br",null,"COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Br",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5738,null,"me(1-(4-bromo)phenylsulfonyl)cyclopentanecarb","160790-07-8",null,"COC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Br",null,"COC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Br",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5739,null,"me(1-(4-bromo)phenylsulfonyl)cyclohexanecarbo","160790-08-9",null,"COC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)Br",null,"COC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)Br",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5740,null,"me(1-(4-chloro)phenylsulfonyl)cyclobutanecarb","160790-09-0",null,"COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Cl",null,"COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Cl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5741,null,"isopropyl(1-(4-chloro)phenylsulfonyl)cyclopent","160790-10-3",null,"CC(C)OC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Cl",null,"CC(C)OC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Cl",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5742,null,"isopropyl(1-(4-methyl)phenylsulfonyl)cyclobuta","160790-13-6",null,"CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccccc2",null,"CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccccc2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5743,null,"ethyl(1-(4-methyl)phenylsulfonyl)cyclobutanec","160790-14-7",null,"CCOC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)C",null,"CCOC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)C",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5744,null,"methyl(1-phenylsulfonyl)cyclobutanecarboxylat","160790-17-0",null,"COC(=O)C1(CCC1)S(=O)(=O)c2ccccc2",null,"COC(=O)C1(CCC1)S(=O)(=O)c2ccccc2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5745,null,"methyl(1-phenylsulfonyl)cyclopentanecarboxyla","160790-18-1",null,"COC(=O)C1(CCCC1)S(=O)(=O)c2ccccc2",null,"COC(=O)C1(CCCC1)S(=O)(=O)c2ccccc2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5746,null,"methyl(1-phenylsulfonyl)cyclohexanecarboxylat","160790-19-2",null,"COC(=O)C1(CCCCC1)S(=O)(=O)c2ccccc2",null,"COC(=O)C1(CCCCC1)S(=O)(=O)c2ccccc2",2,0,2,"NO","NO","Manual Check","Verify Name"]
[5747,1869,"ZXI 8901","160791-64-0","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccc(cc2)Br)c3ccc(cc3)OC(F)F",null,null,"CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccc(cc2)Br)c3ccc(cc3)OC(F)F",2,0,2,"NO","NO","Mantain","Medium Reliability","","Checked on PubChem"]
[5748,1798,"rh-2485","161050-58-4",null,"COc1c(c(ccc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C)C",null,"COc1c(c(ccc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C)C",2,0,2,"NO","NO","Mantain","Medium Reliability","","Name verified in PubChem"]
[5749,891,"2,3,5-Trichlorodiphenyl ether","162853-24-9",null,null,"Clc1cc(c(c(c1)Cl)Cl)Oc2ccccc2","Clc1cc(c(c(c1)Cl)Cl)Oc2ccccc2",2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5750,893,"2,3,6-Trichlorodiphenyl ether","162853-25-0",null,null,"Clc1c(c(c(cc1)Cl)Oc2ccccc2)Cl","Clc1c(c(c(cc1)Cl)Oc2ccccc2)Cl",2,0,2,"NO","NO","Mantain","High Reliability","","Checked on ChemID, Checked on PubChem"]
[5751,1281,"ISOPROPAZOL","174514-07-9","CC(C)OC(=O)c1c(cc(c(c1)-c2c(c(n(n2)C)C(F)(F)F)Br)F)Cl","CC(C)OC(=O)c1c(cc(c(c1)-c2c(c(n(n2)C)C(F)(F)F)Br)F)Cl","CC(C)OC(=O)c1c(cc(c(c1)-c2c(c(n(n2)C)C(F)(F)F)Br)F)Cl","CC(C)OC(=O)c1c(cc(c(c1)-c2c(c(n(n2)C)C(F)(F)F)Br)F)Cl",4,0,0,"NO","NO","Mantain","High Reliability",""]
[5752,null,"MB-599","185676-84-0",{"$nulls":3},"CC#CCOC(C)c1cc(c(cc1)OC)OC",1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5753,null,"Ethyl 2-formamido (2-chlorophenyl) acrylate","336111-17-2",null,null,"CCOC(=O)C(=Cc1c(cccc1)Cl)N=CO","CCOC(=O)C(=Cc1c(cccc1)Cl)N=CO",2,0,2,"NO","NO","Manual Check","Search at least one confirmation",null,"Stereochemistry removed"]
[5754,null,"Ethyl 2-formamido-(furan-3-yl)acrylate","336111-18-3","CCOC(=O)C(=Cc1cocc1)NC=O",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations"]
[5755,null,"3-PENTYL NITRATE","SRC002-52-9","CCC(CC)O[N+](=O)[O-]",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Missing CAS"]
[5756,null,"5-Bromo-3-hydroxybenzaldehyde","SRC003-41-9","O=Cc1cc(cc(c1)O)Br",{"$nulls":3},1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Missing CAS"]
[5757,null,"Isopropropyl,4-formylphenoxyl acetate","SRC003-42-0",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing CAS, Missing/ambiguous"]
[5758,null,"1-(4-MePhSO2)-1-(iPrOCO)cyclopentane","SRC003-56-1",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing CAS, Missing/ambiguous"]
[5759,null,"1-(4-MePhSO2)-1-(MeOCO)cyclohexane","SRC003-56-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing CAS, Missing/ambiguous"]
[5760,null,"1,4-diAm-2,3-diPhO-9,10-anthracenedione","SRC003-67-2",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing CAS, Missing/ambiguous"]
[5761,null,"1,4-diCL-2,3-diPhO-9,10-anthracenedione","SRC003-67-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing CAS, Missing/ambiguous"]
[5762,null,"D5-azo Dye","SRC003-67-4",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing CAS, Missing/ambiguous"]
[5763,null,"D6-Anthrquinone Dye","SRC003-67-5",null,null,"Nc1c2c(c(cc1OC3CC=C(C=C3)N4C(CCCCC4)=O)O)C(c5c(C2=O)cccc5)=O",null,1,0,3,"NO","NO","Manual Check","Search at least two confirmations",null,"Missing CAS"]
[5764,null,"Limonene oxide (cis + trans)","SRC003-73-3",{"$nulls":4},0,0,4,"YES","NO","Eliminate","-",null,"Missing CAS, Missing/ambiguous"]

{"sheet":"PubChem&ChemID","index":4,"n_rows":646,"n_cols":16,"rows_kept":646}
["Original ID","CAS_NO","SMILES, ChemID_Name","SMILES Neutralized,ChemID_Name","Counterions, ChemID_Name","SMILES, ChemID_CAS","SMILES Neutralized, ChemID_CAS","Counterions, ChemID_CAS","SMILES, PubChem_Name","SMILES Neutralized, PubChem_Name","Counterions, PubChem_Name","SMILES, PubChem_CAS","SMILES Neutralized, PubChem_CAS","Counterions, PubChem_CAS","Warning (organometallic)","Warning (organic counterion)"]
[9,"50-19-1","CCC(O)(COC(N)=O)c1ccccc1","CCC(O)(COC(N)=O)c1ccccc1","","CCC(O)(COC(N)=O)c1ccccc1","CCC(O)(COC(N)=O)c1ccccc1","","CCC(O)(COC(N)=O)c1ccccc1","CCC(O)(COC(N)=O)c1ccccc1","","CCC(O)(COC(N)=O)c1ccccc1","CCC(O)(COC(N)=O)c1ccccc1",""]
[104,"56-69-9","","","","NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O","NC(Cc1c2c([nH]c1)ccc(O)c2)C(=O)O","","NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O","NC(Cc1c2c([nH]c1)ccc(O)c2)C(=O)O","","NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O","NC(Cc1c2c([nH]c1)ccc(O)c2)C(=O)O",""]
[143,"58-00-4","","","","CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3","CN1C2c3c(CC1)cccc3-c4c(C2)ccc(O)c4O","","CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3","CN1C2c3c(CC1)cccc3-c4c(C2)ccc(O)c4O","","CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3","CN1C2c3c(CC1)cccc3-c4c(C2)ccc(O)c4O",""]
[266,"69-33-0","","","","Nc1ncnc2c1ccn2C1OC(CO)C(O)C1O","Nc1c2c(ncn1)n(cc2)C3C(C(C(O3)CO)O)O","","Nc1ncnc2c1ccn2C1OC(CO)C(O)C1O","Nc1c2c(ncn1)n(cc2)C3C(C(C(O3)CO)O)O","","Nc1ncnc2c1ccn2C1OC(CO)C(O)C1O","Nc1c2c(ncn1)n(cc2)C3C(C(C(O3)CO)O)O",""]
[379,"76-00-6","","","","CC(O)C(Cl)(Cl)Cl","CC(O)C(Cl)(Cl)Cl","","CC(O)C(Cl)(Cl)Cl","CC(O)C(Cl)(Cl)Cl","","CC(O)C(Cl)(Cl)Cl","CC(O)C(Cl)(Cl)Cl",""]
[429,"77-95-2","","","","O=C(O)C1(O)CC(O)C(O)C(O)C1","O=C(O)C1(CC(C(C(C1)O)O)O)O","","O=C(O)C1(O)CC(O)C(O)C(O)C1","O=C(O)C1(CC(C(C(C1)O)O)O)O","","O=C(O)C1(O)CC(O)C(O)C(O)C1","O=C(O)C1(CC(C(C(C1)O)O)O)O",""]
[501,"80-75-1","","","","CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C","CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C","","","","","CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C","CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C",""]
[526,"83-49-8","","","","CC(CCC(=O)O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(C(C3)O)CC(O)CC4)C)CC2)C","","CC(CCC(=O)O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(C(C3)O)CC(O)CC4)C)CC2)C","","CC(CCC(=O)O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(C(C3)O)CC(O)CC4)C)CC2)C",""]
[569,"86-50-0","","","","COP(=S)(OC)SCn1nnc2ccccc2c1=O","COP(=S)(OC)SCn1c(c2c(nn1)cccc2)=O","","COP(=S)(OC)SCn1nnc2ccccc2c1=O","COP(=S)(OC)SCn1c(c2c(nn1)cccc2)=O","","COP(=S)(OC)SCn1nnc2ccccc2c1=O","COP(=S)(OC)SCn1c(c2c(nn1)cccc2)=O",""]
[588,"87-42-3","","","","Clc1ncnc2nc[nH]c12","Clc1c2c(ncn1)nc[nH]2","","Clc1ncnc2nc[nH]c12","Clc1c2c(ncn1)nc[nH]2","","Clc1ncnc2nc[nH]c12","Clc1c2c(ncn1)nc[nH]2",""]
[637,"89-67-8","","","","O=C1OC(C(O)C(O)CO)C(O)C1O","O=C1C(C(C(O1)C(O)C(O)CO)O)O","","O=C1OC(C(O)C(O)CO)C(O)C1O","O=C1C(C(C(O1)C(O)C(O)CO)O)O","","O=C1OC(C(O)C(O)CO)C(O)C1O","O=C1C(C(C(O1)C(O)C(O)CO)O)O",""]
[712,"93-88-9","","","","CNCC(C)c1ccccc1","CNCC(C)c1ccccc1","","","","","CNCC(C)c1ccccc1","CNCC(C)c1ccccc1",""]
[728,"94-63-3","","","","C[n+]1ccccc1C=NO","C[n+]1c(cccc1)C=NO","[I-](1)","CN1C=CC=CC1=C[NH+]=O","CN1C=CC=CC1=C[NH+]=O","[I-](1)","CN1C=CC=CC1=C[NH+]=O","CN1C=CC=CC1=C[NH+]=O","[I-](1)"]
[731,"94-77-9","","","","","","","","","","Oc1ccc(CCc2ccccc2)c(O)c1","Oc1cc(c(cc1)CCc2ccccc2)O",""]
[784,"96-81-1","","","","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C","","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C","","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C",""]
[896,"100-72-1","OCC1CCCCO1","OCC1OCCCC1","","OCC1CCCCO1","OCC1OCCCC1","","OCC1CCCCO1","OCC1OCCCC1","","OCC1CCCCO1","OCC1OCCCC1",""]
[959,"104-80-3","","","","OCC1CCC(CO)O1","OCC1OC(CC1)CO","","OCC1CCC(CO)O1","OCC1OC(CC1)CO","","OCC1CCC(CO)O1","OCC1OC(CC1)CO",""]
[983,"105-72-6","","","","CCCC(=O)OCCOC(=O)CCC","CCCC(=O)OCCOC(=O)CCC","","CCCC(=O)OCCOC(=O)CCC","CCCC(=O)OCCOC(=O)CCC","","CCCC(=O)OCCOC(=O)CCC","CCCC(=O)OCCOC(=O)CCC",""]
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[1530,"136-79-8","CCOc1ccc([N+](=O)[O-])cc1N","CCOc1c(cc(cc1)[N+](=O)[O-])N","","CCOc1ccc([N+](=O)[O-])cc1N","CCOc1c(cc(cc1)[N+](=O)[O-])N","","CCOc1ccc([N+](=O)[O-])cc1N","CCOc1c(cc(cc1)[N+](=O)[O-])N","","CCOc1ccc([N+](=O)[O-])cc1N","CCOc1c(cc(cc1)[N+](=O)[O-])N",""]
[1548,"139-86-6","","","","NC(Cc1cccs1)C(=O)O","NC(Cc1sccc1)C(=O)O","","NC(Cc1cccs1)C(=O)O","NC(Cc1sccc1)C(=O)O","","NC(Cc1cccs1)C(=O)O","NC(Cc1sccc1)C(=O)O",""]
[1606,"144-98-9","COCC(O)C(N)C(=O)O","COCC(O)C(N)C(=O)O","","CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O","","CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O","","CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O",""]
[1666,"230-46-6","","","","c1cnc2c(c1)ccc1ncccc12","c1cc2c(nc1)c3c(cc2)nccc3","","c1cnc2c(c1)ccc1ncccc12","c1cc2c(nc1)c3c(cc2)nccc3","","c1cnc2c(c1)ccc1ncccc12","c1cc2c(nc1)c3c(cc2)nccc3",""]
[1696,"299-39-8","","","","C1CCN2CC3CC(CN4CCCCC34)C2C1","C1CC2N(CC1)CC3C4N(CC2C3)CCCC4","OS(=O)(=O)O(1)","C1CCN2CC3CC(CN4CCCCC34)C2C1","C1CC2N(CC1)CC3C4N(CC2C3)CCCC4","OS(=O)(=O)O(1)","C1CCN2CC3CC(CN4CCCCC34)C2C1","C1CC2N(CC1)CC3C4N(CC2C3)CCCC4","OS(=O)(=O)O(1)"]
[1702,"300-38-9","","","","NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)O","NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O","","NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)O","NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O","","NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)O","NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O",""]
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[1714,"306-23-0","","","","O=C(O)C(O)Cc1ccc(O)cc1","O=C(O)C(O)Cc1ccc(cc1)O","","","","","O=C(O)C(O)Cc1ccc(O)cc1","O=C(O)C(O)Cc1ccc(cc1)O",""]
[1750,"352-97-6","","","","N=C(N)NCC(=O)O","N=C(N)NCC(=O)O","","NC(N)=NCC(=O)O","NC(N)=NCC(=O)O","","NC(N)=NCC(=O)O","NC(N)=NCC(=O)O",""]
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[1758,"368-16-1","Cn1cncc1CC(N)C(=O)O","Cn1c(cnc1)CC(N)C(=O)O","","Cn1cncc1CC(N)C(=O)O","Cn1c(cnc1)CC(N)C(=O)O","","Cn1cncc1CC(N)C(=O)O","Cn1c(cnc1)CC(N)C(=O)O","","Cn1cncc1CC(N)C(=O)O","Cn1c(cnc1)CC(N)C(=O)O",""]
[1770,"382-45-6","CC12CC(=O)C3C(CCC4=CC(=O)CCC43C)C1CCC2=O","CC12C(C3C(C(C1)=O)C4(C(CC3)=CC(=O)CC4)C)CCC2=O","","CC12CC(=O)C3C(CCC4=CC(=O)CCC43C)C1CCC2=O","CC12C(C3C(C(C1)=O)C4(C(CC3)=CC(=O)CC4)C)CCC2=O","","CC12CC(=O)C3C(CCC4=CC(=O)CCC43C)C1CCC2=O","CC12C(C3C(C(C1)=O)C4(C(CC3)=CC(=O)CC4)C)CCC2=O","","CC12CC(=O)C3C(CCC4=CC(=O)CCC43C)C1CCC2=O","CC12C(C3C(C(C1)=O)C4(C(CC3)=CC(=O)CC4)C)CCC2=O",""]
[1773,"405-22-1","NC(=O)N(CCO)N=Cc1ccc([N+](=O)[O-])o1","NC(=O)N(CCO)N=Cc1oc(cc1)[N+](=O)[O-]","","NC(=O)N(CCO)N=Cc1ccc([N+](=O)[O-])o1","NC(=O)N(CCO)N=Cc1oc(cc1)[N+](=O)[O-]","","NC(=O)N(CCO)N=Cc1ccc([N+](=O)[O-])o1","NC(=O)N(CCO)N=Cc1oc(cc1)[N+](=O)[O-]","","NC(=O)N(CCO)N=Cc1ccc([N+](=O)[O-])o1","NC(=O)N(CCO)N=Cc1oc(cc1)[N+](=O)[O-]",""]
[1778,"433-97-6","","","","O=C(O)c1ccccc1C(F)(F)F","O=C(O)c1c(cccc1)C(F)(F)F","","O=C(O)c1ccccc1C(F)(F)F","O=C(O)c1c(cccc1)C(F)(F)F","","O=C(O)c1ccccc1C(F)(F)F","O=C(O)c1c(cccc1)C(F)(F)F",""]
[1782,"436-45-3","","","","CC1=C2C(O)C3C(CC(C)C2CC1=O)OC(=O)C3C","CC=1C(CC2C1C(O)C3C(C(OC3CC2C)=O)C)=O","","","","","","",""]
[1806,"462-02-2","","","","","","","N=c1oc(=N)oc(=N)o1","N=c1oc(oc(o1)=N)=N","","N=c1oc(=N)oc(=N)o1","N=c1oc(oc(o1)=N)=N",""]
[1821,"467-98-1","","","","COc1ccc2c(c1O)C13CCN(C)C(C2)C1C=CC(=O)C3","COc1c(c2c(cc1)CC3N(CCC24C3C=CC(=O)C4)C)O","","COc1ccc2c(c1O)C13CCN(C)C(C2)C1C=CC(=O)C3","COc1c(c2c(cc1)CC3N(CCC24C3C=CC(=O)C4)C)O","","COc1ccc2c(c1O)C13CCN(C)C(C2)C1C=CC(=O)C3","COc1c(c2c(cc1)CC3N(CCC24C3C=CC(=O)C4)C)O",""]
[1832,"473-35-8","","","","CC(C)(C(=O)O)C1CCC(C(=O)O)C1","CC(C)(C(=O)O)C1CC(CC1)C(=O)O","","","","","CC(C)(C(=O)O)C1CCC(C(=O)O)C1","CC(C)(C(=O)O)C1CC(CC1)C(=O)O",""]
[1834,"473-81-4","","","","O=C(O)C(O)CO","O=C(O)C(O)CO","","O=C(O)C(O)CO","O=C(O)C(O)CO","","O=C(O)C(O)CO","O=C(O)C(O)CO",""]
[1846,"479-98-1","","","","OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12","OCC=1C2C(C(C1)O)C=COC2OC3C(C(C(C(O3)CO)O)O)O","","OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12","OCC=1C2C(C(C1)O)C=COC2OC3C(C(C(C(O3)CO)O)O)O","","OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12","OCC=1C2C(C(C1)O)C=COC2OC3C(C(C(C(O3)CO)O)O)O",""]
[1853,"481-37-8","","","","CN1C2CCC1C(C(=O)O)C(O)C2","CN1C2CCC1CC(C2C(=O)O)O","","CN1C2CCC1C(C(=O)O)C(O)C2","CN1C2CCC1CC(C2C(=O)O)O","","CN1C2CCC1C(C(=O)O)C(O)C2","CN1C2CCC1CC(C2C(=O)O)O",""]
[1856,"483-57-8","","","","Cn1c(=O)c2ncnnc2n(C)c1=O","Cn1c(n(c2c(c1=O)ncnn2)C)=O","","Cn1c(=O)c2ncnnc2n(C)c1=O","Cn1c(n(c2c(c1=O)ncnn2)C)=O","","Cn1c(=O)c2ncnnc2n(C)c1=O","Cn1c(n(c2c(c1=O)ncnn2)C)=O",""]
[1863,"486-64-6","","","","O=c1c2ccccc2nc2n1CCC2O","O=c1n2c(nc3c1cccc3)C(CC2)O","","","","","O=c1c2ccccc2nc2n1CCC2O","O=c1n2c(nc3c1cccc3)C(CC2)O",""]
[1869,"488-59-5","","","","OC1C(O)C(O)C(O)C(O)C1O","OC1C(C(C(C(C1O)O)O)O)O","","OC1C(O)C(O)C(O)C(O)C1O","OC1C(C(C(C(C1O)O)O)O)O","","OC1C(O)C(O)C(O)C(O)C1O","OC1C(C(C(C(C1O)O)O)O)O",""]
[1884,"492-70-6","","","","OC(c1ccccc1)C(O)c1ccccc1","OC(c1ccccc1)C(O)c2ccccc2","","OC(c1ccccc1)C(O)c1ccccc1","OC(c1ccccc1)C(O)c2ccccc2","","OC(c1ccccc1)C(O)c1ccccc1","OC(c1ccccc1)C(O)c2ccccc2",""]
[1902,"498-23-7","","","","CC(=CC(=O)O)C(=O)O","CC(=CC(=O)O)C(=O)O","","CC(=CC(=O)O)C(=O)O","CC(=CC(=O)O)C(=O)O","","CC(=CC(=O)O)C(=O)O","CC(=CC(=O)O)C(=O)O",""]
[1904,"498-71-5","","","","CC1=CCC(C(C)(C)O)CC1O","CC=1C(CC(CC1)C(C)(C)O)O","","CC1=CCC(C(C)(C)O)CC1O","CC=1C(CC(CC1)C(C)(C)O)O","","CC1=CCC(C(C)(C)O)CC1O","CC=1C(CC(CC1)C(C)(C)O)O",""]
[1906,"499-74-1","","","","CC(C)C1=CC(=O)C(C)CC1","CC(C)C=1CCC(C(C1)=O)C","","","","","CC(C)C1=CC(=O)C(C)CC1","CC(C)C=1CCC(C(C1)=O)C",""]
[1935,"505-72-6","","","","","","","","","","O=C(O)CCNCC(=O)O","O=C(O)CCNCC(=O)O",""]
[1936,"505-97-5","","","","","","","","","","","",""]
[1953,"512-60-7","CC1(C)C2CC3C(C2)C31C(=O)O","CC1(C2(C3CC1CC32)C(=O)O)C","","CC1(C)C2CC3C(C2)C31C(=O)O","CC1(C2(C3CC1CC32)C(=O)O)C","","","","","CC1(C)C2CC3C(C2)C31C(=O)O","CC1(C2(C3CC1CC32)C(=O)O)C",""]
[1966,"514-17-0","","","","CC12CC(O)C3C(CCC4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(C(C1)O)C4(C(CC3)CC(O)CC4)C)CCC2=O","","","","","CC12CC(O)C3C(CCC4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(C(C1)O)C4(C(CC3)CC(O)CC4)C)CCC2=O",""]
[1973,"516-06-3","","","","CC(C)C(N)C(=O)O","CC(C)C(N)C(=O)O","","CC(C)C(N)C(=O)O","CC(C)C(N)C(=O)O","","","",""]
[1976,"517-40-8","","","","","","","","","","Cc1ccnc(C(=O)O)c1C(=O)O","Cc1c(c(ncc1)C(=O)O)C(=O)O",""]
[1979,"519-05-1","","","","COc1ccc(C=O)c(C(=O)O)c1OC","COc1c(c(c(cc1)C=O)C(=O)O)OC","","COc1ccc(C=O)c(C(=O)O)c1OC","COc1c(c(c(cc1)C=O)C(=O)O)OC","","COc1ccc(C=O)c(C(=O)O)c1OC","COc1c(c(c(cc1)C=O)C(=O)O)OC",""]
[1990,"526-30-7","","","","NC(Cc1n[nH]c2ccccc12)C(=O)O","NC(Cc1c2c([nH]n1)cccc2)C(=O)O","","NC(Cc1[nH]nc2ccccc12)C(=O)O","NC(Cc1c2c(n[nH]1)cccc2)C(=O)O","","NC(Cc1[nH]nc2ccccc12)C(=O)O","NC(Cc1c2c(n[nH]1)cccc2)C(=O)O",""]
[1996,"527-00-4","Nc1ncnc2c1ncn2C1OC(COC2C(CO)OC(OC(C(=O)O)C(O)C(OP(=O)(O)O)C(O)C(=O)O)C(O)C2O)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COC4C(C(C(OC4CO)OC(C(=O)O)C(O)C(OP(=O)(O)O)C(O)C(=O)O)O)O)O)O","","","","","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","","","",""]
[1997,"527-06-0","","","","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO","","","","","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",""]
[2010,"528-92-7","","","","C=CCC(C(=O)NC(N)=O)C(C)C","C=CCC(C(=O)NC(N)=O)C(C)C","","","","","C=CCC(C(=O)NC(N)=O)C(C)C","C=CCC(C(=O)NC(N)=O)C(C)C",""]
[2012,"529-64-6","","","","O=C(O)C(CO)c1ccccc1","O=C(O)C(CO)c1ccccc1","","O=C(O)C(CO)c1ccccc1","O=C(O)C(CO)c1ccccc1","","O=C(O)C(CO)c1ccccc1","O=C(O)C(CO)c1ccccc1",""]
[2014,"530-14-3","CC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1","CC(=O)c1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O","","CC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1","CC(=O)c1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O","","CC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1","CC(=O)c1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O","","CC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1","CC(=O)c1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O",""]
[2033,"534-59-8","","","","CCCCC(C(=O)O)C(=O)O","CCCCC(C(=O)O)C(=O)O","","","","","CCCCC(C(=O)O)C(=O)O","CCCCC(C(=O)O)C(=O)O",""]
[2039,"536-08-3","","","","O=C(O)c1cc(O)c(O)c(C(=O)Oc2cc(O)c(O)c(O)c2)c1","O=C(O)c1cc(c(c(c1)O)O)C(=O)Oc2cc(c(c(c2)O)O)O","","O=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1","O=C(O)c1cc(c(c(c1)O)O)OC(=O)c2cc(c(c(c2)O)O)O","","","",""]
[2045,"537-26-8","","","","CN1C2CCC1CC(OC(=O)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)c3ccccc3","","CN1C2CCC1CC(OC(=O)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)c3ccccc3","","CN1C2CCC1CC(OC(=O)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)c3ccccc3",""]
[2086,"541-89-9","","","","","","","","","","","",""]
[2103,"543-86-2","","","","CC(C)CCOC(N)=O","CC(C)CCOC(N)=O","","","","","CC(C)CCOC(N)=O","CC(C)CCOC(N)=O",""]
[2113,"547-52-4","","","","Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)S(N)(=O)=O","","","","","Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)S(N)(=O)=O",""]
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[2118,"548-37-8","","","","COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12","COC(=O)C=1C2C(C(OC1)OC3C(C(C(C(O3)CO)O)O)O)C(C)CC2=O","","","","","COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12","COC(=O)C=1C2C(C(OC1)OC3C(C(C(C(O3)CO)O)O)O)C(C)CC2=O",""]
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[2133,"552-70-5","","","","CN1C2CCCC1CC(=O)C2","CN1C2CCCC1CC(C2)=O","","CN1C2CCCC1CC(=O)C2","CN1C2CCCC1CC(C2)=O","","CN1C2CCCC1CC(=O)C2","CN1C2CCCC1CC(C2)=O",""]
[2154,"556-03-6","","","","NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O","","NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O","","NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",""]
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[2190,"565-60-6","CCC(C)C(C)O","CCC(C)C(C)O","","CCC(C)C(C)O","CCC(C)C(C)O","","CCC(C)C(C)O","CCC(C)C(C)O","","CCC(C)C(C)O","CCC(C)C(C)O",""]
[2192,"565-67-3","","","","CCC(O)C(C)C","CCC(O)C(C)C","","CCC(O)C(C)C","CCC(O)C(C)C","","CCC(O)C(C)C","CCC(O)C(C)C",""]
[2194,"565-71-9","NCC(O)C(=O)O","NCC(O)C(=O)O","","NCC(O)C(=O)O","NCC(O)C(=O)O","","NCC(O)C(=O)O","NCC(O)C(=O)O","","NCC(O)C(=O)O","NCC(O)C(=O)O",""]
[2217,"578-67-6","","","","Oc1cccc2ncccc12","Oc1c2c(ccc1)nccc2","","O=c1cccc2[nH]cccc1-2","O=c1c2-c(ccc1)[nH]ccc2","","","",""]
[2220,"579-43-1","OC(c1ccccc1)C(O)c1ccccc1","OC(c1ccccc1)C(O)c2ccccc2","","OC(c1ccccc1)C(O)c1ccccc1","OC(c1ccccc1)C(O)c2ccccc2","","OC(c1ccccc1)C(O)c1ccccc1","OC(c1ccccc1)C(O)c2ccccc2","","OC(c1ccccc1)C(O)c1ccccc1","OC(c1ccccc1)C(O)c2ccccc2",""]
[2232,"581-49-7","","","","C1=CCC(c2cccnc2)NC1","C=1CNC(CC1)c2cnccc2","","C1=CCC(c2cccnc2)NC1","C=1CNC(CC1)c2cnccc2","","C1=CCC(c2cccnc2)NC1","C=1CNC(CC1)c2cnccc2",""]
[2247,"585-04-6","","","","","","","CC(NC(N)=O)C(=O)O","CC(NC(N)=O)C(=O)O","","","",""]
[2255,"585-99-9","","","","O=CC(O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1O","O=CC(O)C(O)C(O)C(O)COC1C(C(C(C(O1)CO)O)O)O","","OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O","","","",""]
[2283,"590-11-4","BrC=CBr","BrC=CBr","","BrC=CBr","BrC=CBr","","BrC=CBr","BrC=CBr","","BrC=CBr","BrC=CBr",""]
[2285,"590-26-1","","","","IC=CI","IC=CI","","","","","IC=CI","IC=CI",""]
[2286,"590-27-2","","","","IC=CI","IC=CI","","","","","IC=CI","IC=CI",""]
[2308,"591-86-6","","","","","","","CC=NNC(N)=O","CC=NNC(N)=O","","CC=NNC(N)=O","CC=NNC(N)=O",""]
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[2331,"595-41-5","CCC(C)(O)C(C)C","CCC(C)(O)C(C)C","","CCC(C)(O)C(C)C","CCC(C)(O)C(C)C","","CCC(C)(O)C(C)C","CCC(C)(O)C(C)C","","CCC(C)(O)C(C)C","CCC(C)(O)C(C)C",""]
[2337,"597-35-3","","","","CCS(=O)(=O)CC","CCS(=O)(=O)CC","","CCS(=O)(=O)CC","CCS(=O)(=O)CC","","CCS(=O)(=O)CC","CCS(=O)(=O)CC",""]
[2344,"598-06-1","","","","CCCCC(C)(O)CC","CCCCC(C)(O)CC","","CCCCC(C)(O)CC","CCCCC(C)(O)CC","","CCCCC(C)(O)CC","CCCCC(C)(O)CC",""]
[2345,"598-09-4","CC1(CCl)CO1","CC1(OC1)CCl","","CC1(CCl)CO1","CC1(OC1)CCl","","","","","CC1(CCl)CO1","CC1(OC1)CCl",""]
[2357,"599-82-6","","","","","","","","","","Nc1ccc(S(=O)(=O)Nc2ccncn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ncncc2",""]
[2361,"600-13-5","","","","CC=C(Cl)C(=O)O","CC=C(Cl)C(=O)O","","","","","CC=C(Cl)C(=O)O","CC=C(Cl)C(=O)O",""]
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[2390,"608-21-9","","","","Brc1cccc(Br)c1Br","Brc1c(c(ccc1)Br)Br","","Brc1cccc(Br)c1Br","Brc1c(c(ccc1)Br)Br","","Brc1cccc(Br)c1Br","Brc1c(c(ccc1)Br)Br",""]
[2392,"608-36-6","","","","O=C(O)C(Br)C(Br)C(=O)O","O=C(O)C(Br)C(Br)C(=O)O","","O=C(O)C(Br)C(Br)C(=O)O","O=C(O)C(Br)C(Br)C(=O)O","","O=C(O)C(Br)C(Br)C(=O)O","O=C(O)C(Br)C(Br)C(=O)O",""]
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[2395,"608-60-6","","","","","","","","","","","",""]
[2403,"609-97-2","","","","","","","","","","Nc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]","Nc1c(cc(cc1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]",""]
[2411,"610-93-5","","","","O=C1OCc2ccc([N+](=O)[O-])cc21","O=C1c2c(CO1)ccc([N+](=O)[O-])c2","","O=C1OCc2ccc([N+](=O)[O-])cc21","O=C1c2c(CO1)ccc([N+](=O)[O-])c2","","O=C1OCc2ccc([N+](=O)[O-])cc21","O=C1c2c(CO1)ccc([N+](=O)[O-])c2",""]
[2414,"611-41-6","","","","","","","","","","CCOc1ccc(N2C(=O)CCC2=O)cc1","CCOc1ccc(cc1)N2C(CCC2=O)=O",""]
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[2456,"617-53-8","COC(=O)C=C(C)C(=O)OC","COC(=O)C=C(C)C(=O)OC","","","","","","","","COC(=O)C=C(C)C(=O)OC","COC(=O)C=C(C)C(=O)OC",""]
[2466,"618-67-7","O=C(O)C=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O","O=C(O)C=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O","","O=C(O)C=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O","O=C(O)C=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O","","O=C(O)C=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O","O=C(O)C=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O","","O=C(O)C=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O","O=C(O)C=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",""]
[2475,"619-82-9","","","","O=C(O)C1CCC(C(=O)O)CC1","O=C(O)C1CCC(CC1)C(=O)O","","O=C(O)C1CCC(C(=O)O)CC1","O=C(O)C1CCC(CC1)C(=O)O","","O=C(O)C1CCC(C(=O)O)CC1","O=C(O)C1CCC(CC1)C(=O)O",""]
[2499,"623-87-0","O=[N+]([O-])OCC(O)CO[N+](=O)[O-]","O=[N+]([O-])OCC(O)CO[N+](=O)[O-]","","O=[N+]([O-])OCC(O)CO[N+](=O)[O-]","O=[N+]([O-])OCC(O)CO[N+](=O)[O-]","","","","","O=[N+]([O-])OCC(O)CO[N+](=O)[O-]","O=[N+]([O-])OCC(O)CO[N+](=O)[O-]",""]
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[2536,"626-98-2","","","","CCC=CC(=O)O","CCC=CC(=O)O","","CCC=CC(=O)O","CCC=CC(=O)O","","CCC=CC(=O)O","CCC=CC(=O)O",""]
[2546,"627-59-8","","","","CC(C)CCC(C)O","CC(C)CCC(C)O","","CC(C)CCC(C)O","CC(C)CCC(C)O","","CC(C)CCC(C)O","CC(C)CCC(C)O",""]
[2548,"627-72-5","","","","NC(CSC(Cl)=CCl)C(=O)O","NC(CSC(Cl)=CCl)C(=O)O","","","","","NC(CSC(Cl)=CCl)C(=O)O","NC(CSC(Cl)=CCl)C(=O)O",""]
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[2579,"632-12-2","","","","","","","NCC(O)C(=O)O","NCC(O)C(=O)O","","NCC(O)C(=O)O","NCC(O)C(=O)O",""]
[2583,"632-95-1","","","","","","","O=C(O)c1ccnc(C(=O)O)c1C(=O)O","O=C(O)c1c(c(ncc1)C(=O)O)C(=O)O","","O=C(O)c1ccnc(C(=O)O)c1C(=O)O","O=C(O)c1c(c(ncc1)C(=O)O)C(=O)O",""]
[2593,"636-46-4","","","","O=C(O)c1ccc(O)c(C(=O)O)c1","O=C(O)c1cc(c(cc1)O)C(=O)O","","","","","O=C(O)c1ccc(O)c(C(=O)O)c1","O=C(O)c1cc(c(cc1)O)C(=O)O",""]
[2601,"638-17-5","","","","CC1NC(C)SC(C)S1","CC1SC(SC(N1)C)C","","","","","CC1NC(C)SC(C)S1","CC1SC(SC(N1)C)C",""]
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[2629,"683-68-1","ClC(Br)C(Cl)Br","ClC(Br)C(Cl)Br","","ClC(Br)C(Cl)Br","ClC(Br)C(Cl)Br","","ClC(Br)C(Cl)Br","ClC(Br)C(Cl)Br","","ClC(Br)C(Cl)Br","ClC(Br)C(Cl)Br",""]
[2652,"709-16-0","CCOC(=O)C(N)Cc1cc([N+](=O)[O-])ccc1O","CCOC(=O)C(N)Cc1c(ccc(c1)[N+](=O)[O-])O","","","","","NC(Cc1ccccc1O)C(=O)O","NC(Cc1c(cccc1)O)C(=O)O","","NC(Cc1ccccc1O)C(=O)O","NC(Cc1c(cccc1)O)C(=O)O",""]
[2656,"721-71-1","","","","NC(=O)NN=CC=Cc1ccc([N+](=O)[O-])o1","NC(=O)NN=CC=Cc1oc(cc1)[N+](=O)[O-]","","","","","NC(=O)NN=CC=Cc1ccc([N+](=O)[O-])o1","NC(=O)NN=CC=Cc1oc(cc1)[N+](=O)[O-]",""]
[2658,"723-47-7","","","","","","","","","","Cc1nc(NS(=O)(=O)c2ccc(N)cc2)no1","Cc1onc(n1)NS(=O)(=O)c2ccc(cc2)N",""]
[2669,"757-58-4","CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC","CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC","","CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC","CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC","","CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC","CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC","","CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC","CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC",""]
[2725,"872-55-9","CCc1cccs1","CCc1sccc1","","CCc1cccs1","CCc1sccc1","","CCc1cccs1","CCc1sccc1","","CCc1cccs1","CCc1sccc1",""]
[2742,"923-06-8","","","","O=C(O)CC(Br)C(=O)O","O=C(O)CC(Br)C(=O)O","","O=C(O)CC(Br)C(=O)O","O=C(O)CC(Br)C(=O)O","","O=C(O)CC(Br)C(=O)O","O=C(O)CC(Br)C(=O)O",""]
[2810,"1069-00-7","","","","","","","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO","","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",""]
[2811,"1071-83-6","","","","O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O","","O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O","","O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O",""]
[2818,"1079-02-3","[2H]c1c([2H])c([2H])c(C(=O)O)c([2H])c1[2H]","[2H]c1c(c(c(c(c1[2H])[2H])C(=O)O)[2H])[2H]","","[2H]c1c([2H])c([2H])c(C(=O)O)c([2H])c1[2H]","[2H]c1c(c(c(c(c1[2H])[2H])C(=O)O)[2H])[2H]","","O=C(O)c1ccccc1","O=C(O)c1ccccc1","","O=C(O)c1ccccc1","O=C(O)c1ccccc1",""]
[2828,"1115-61-3","","","","","","","CSc1nc2ccccc2n1C1OC(CO)C(O)C1O","CSc1n(c2c(n1)cccc2)C3C(C(C(O3)CO)O)O","","","",""]
[2829,"1115-90-8","","","","","","","","","","CCCCCC(N)C(=O)O","CCCCCC(N)C(=O)O",""]
[2843,"1125-78-6","","","","Oc1ccc2c(c1)CCCC2","Oc1cc2c(cc1)CCCC2","","Oc1ccc2c(c1)CCCC2","Oc1cc2c(cc1)CCCC2","","Oc1ccc2c(c1)CCCC2","Oc1cc2c(cc1)CCCC2",""]
[2860,"1186-79-4","","","","","","","","","","CCC(C(=O)O)C(CC)C(=O)O","CCC(C(=O)O)C(CC)C(=O)O",""]
[2863,"1187-50-4","","","","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O","","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O","","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O",""]
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[2884,"1300-73-8","","","","","","","","","","Cc1ccc(N)c(C)c1","Cc1cc(c(cc1)N)C","Cc1cc(c(cc1)C)N(2), Cc1c(c(ccc1)N)C(2), Cc1cc(cc(c1)N)C(1)",null,"Organic counterion"]
[2886,"1321-16-0","","","","O=CC1CC=CCC1","O=CC1CCC=CC1","","O=CC1CC=CCC1","O=CC1CCC=CC1","","O=CC1=CCCCC1","O=CC=1CCCCC1",""]
[2890,"1330-78-5","","","","","","","","","","","",""]
[2893,"1333-38-6","","","","CC1C=CC(=O)O1","CC1OC(C=C1)=O","","CC1C=CC(=O)O1","CC1OC(C=C1)=O","","","",""]
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[2918,"1509-92-8","","","","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O","","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O","","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",""]
[2933,"1578-72-9","","","","","","","","","","O=C(O)C(Br)=CBr","O=C(O)C(Br)=CBr",""]
[2967,"1703-58-8","","","","O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O","O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O","","","","","O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O","O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O",""]
[3017,"1904-64-9","","","","","","","","","","C1=NCc2ccccc2N1","C=1Nc2c(CN1)cccc2",""]
[3036,"1929-29-9","","","","COc1ccc(CCC(=O)O)cc1","COc1ccc(cc1)CCC(=O)O","","","","","COc1ccc(CCC(=O)O)cc1","COc1ccc(cc1)CCC(=O)O",""]
[3054,"1972-03-8","","","","CC12CCC(C(=O)NC1=O)C2(C)C","CC12C(NC(C(CC1)C2(C)C)=O)=O","","","","","CC12CCC(C(=O)NC1=O)C2(C)C","CC12C(NC(C(CC1)C2(C)C)=O)=O",""]
[3061,"2000-40-0","NC(=O)NC(O)C(Cl)(Cl)Cl","NC(=O)NC(O)C(Cl)(Cl)Cl","","NC(=O)NC(O)C(Cl)(Cl)Cl","NC(=O)NC(O)C(Cl)(Cl)Cl","","NC(=O)NC(O)C(Cl)(Cl)Cl","NC(=O)NC(O)C(Cl)(Cl)Cl","","NC(=O)NC(O)C(Cl)(Cl)Cl","NC(=O)NC(O)C(Cl)(Cl)Cl",""]
[3073,"2043-43-8","","","","CC(O)C(N)=O","CC(O)C(N)=O","","CC(O)C(N)=O","CC(O)C(N)=O","","","",""]
[3074,"2044-88-4","","","","CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","CNc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","","CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","CNc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","","CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","CNc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",""]
[3089,"2076-53-1","","","","","","","","","","COC(C)C(N)C(=O)O","COC(C)C(N)C(=O)O",""]
[3090,"2076-57-5","","","","","","","","","","COC(C)C(N)C(=O)O","COC(C)C(N)C(=O)O",""]
[3093,"2085-15-6","","","","","","","","","","CCCCC(CC)(C(=O)O)C(=O)O","CCCCC(CC)(C(=O)O)C(=O)O",""]
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[3095,"2103-31-3","","","","","","","","","","CCC(C(=O)O)C(C)(C)C(=O)O","CCC(C(=O)O)C(C)(C)C(=O)O",""]
[3098,"2107-75-7","","","","","","","","","","Cc1cc(=O)oc2c1ccc1ccccc12","Cc1c2c(oc(c1)=O)c3c(cc2)cccc3",""]
[3120,"2181-22-8","","","","","","","","","","CC1(C)CC(=O)C(CC2C(=O)CC(C)(C)CC2=O)C(=O)C1","CC1(CC(C(C(C1)=O)CC2C(CC(CC2=O)(C)C)=O)=O)C",""]
[3126,"2207-04-7","CC1CCC(C)CC1","CC1CCC(CC1)C","","CC1CCC(C)CC1","CC1CCC(CC1)C","","CC1CCC(C)CC1","CC1CCC(CC1)C","","CC1CCC(C)CC1","CC1CCC(CC1)C",""]
[3127,"2211-67-8","","","","CC(Cl)C(C)Cl","CC(Cl)C(C)Cl","","","","","CC(Cl)C(C)Cl","CC(Cl)C(C)Cl",""]
[3155,"2276-96-2","","","","","","","","","","","",""]
[3180,"2373-80-0","","","","O=C(O)C=Cc1ccc2c(c1)OCO2","O=C(O)C=Cc1cc2c(cc1)OCO2","","O=C(O)C=Cc1ccc2c(c1)OCO2","O=C(O)C=Cc1cc2c(cc1)OCO2","","O=C(O)C=Cc1ccc2c(c1)OCO2","O=C(O)C=Cc1cc2c(cc1)OCO2",""]
[3185,"2382-80-1","","","","CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O","CCOC(=O)C(Cc1c2c([nH]c1)cccc2)NC(C)=O","","","","","CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O","CCOC(=O)C(Cc1c2c([nH]c1)cccc2)NC(C)=O",""]
[3187,"2385-74-2","","","","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O","","","","","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O",""]
[3197,"2421-02-5","","","","CCC(O)CN(CC(O)CC)CC(O)CC","CCC(O)CN(CC(O)CC)CC(O)CC","","","","","CCC(O)CN(CC(O)CC)CC(O)CC","CCC(O)CN(CC(O)CC)CC(O)CC",""]
[3214,"2451-01-6","","","","CC1(O)CCC(C(C)(C)O)CC1","CC1(CCC(CC1)C(C)(C)O)O","O(1)","","","","CC1(O)CCC(C(C)(C)O)CC1","CC1(CCC(CC1)C(C)(C)O)O","O(1)"]
[3243,"2582-07-2","","","","N=C(N)Nc1nc2ccccc2s1","N=C(N)Nc1sc2c(n1)cccc2","","NC(N)=Nc1nc2ccccc2s1","NC(N)=Nc1sc2c(n1)cccc2","","NC(N)=Nc1nc2ccccc2s1","NC(N)=Nc1sc2c(n1)cccc2",""]
[3301,"2948-89-2","","","","C=CCOP(=O)(OCC=C)c1ccccc1","C=CCOP(=O)(OCC=C)c1ccccc1","","","","","C=CCOP(=O)(OCC=C)c1ccccc1","C=CCOP(=O)(OCC=C)c1ccccc1",""]
[3319,"3058-01-3","","","","CC(CCC(=O)O)CC(=O)O","CC(CCC(=O)O)CC(=O)O","","","","","CC(CCC(=O)O)CC(=O)O","CC(CCC(=O)O)CC(=O)O",""]
[3320,"3060-46-6","","","","CNC(CC(C)C)C(=O)O","CNC(CC(C)C)C(=O)O","","CNC(CC(C)C)C(=O)O","CNC(CC(C)C)C(=O)O","","CNC(CC(C)C)C(=O)O","CNC(CC(C)C)C(=O)O",""]
[3322,"3067-19-4","","","","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C","","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C","","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C",""]
[3328,"3107-04-8","","","","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O","","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O","","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",""]
[3329,"3109-12-4","","","","O=C(CCCN1CCC(O)(c2ccccc2)CC1)c1ccc(F)cc1","O=C(CCCN1CCC(CC1)(O)c2ccccc2)c3ccc(cc3)F","","","","","O=C(CCCN1CCC(O)(c2ccccc2)CC1)c1ccc(F)cc1","O=C(CCCN1CCC(CC1)(O)c2ccccc2)c3ccc(cc3)F",""]
[3335,"3146-41-6","","","","","","","","","","","",""]
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[3344,"3192-10-7","","","","","","","","","","C=CS(=O)(=O)Nc1ccccc1","C=CS(=O)(=O)Nc1ccccc1",""]
[3346,"3196-84-7","","","","","","","","","","","",""]
[3349,"3209-15-2","","","","","","","","","","Cc1cc(O)c(C(=O)O)cc1O","Cc1c(cc(c(c1)O)C(=O)O)O",""]
[3365,"3299-82-9","","","","","","","O=C(O)C1=CCc2ccccc2C1","O=C(O)C=1Cc2c(CC1)cccc2","","O=C(O)C1=CCc2ccccc2C1","O=C(O)C=1Cc2c(CC1)cccc2",""]
[3367,"3318-78-3","O=C1OCCN1N=CC=Cc1ccc([N+](=O)[O-])o1","O=C1N(CCO1)N=CC=Cc2oc(cc2)[N+](=O)[O-]","","O=C1OCCN1N=CC=Cc1ccc([N+](=O)[O-])o1","O=C1N(CCO1)N=CC=Cc2oc(cc2)[N+](=O)[O-]","","","","","O=C1OCCN1N=CC=Cc1ccc([N+](=O)[O-])o1","O=C1N(CCO1)N=CC=Cc2oc(cc2)[N+](=O)[O-]",""]
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[3376,"3387-87-9","NC(Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O","","","","","","","","NC(Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O",""]
[3379,"3408-30-8","O=C(O)C1C=Cc2ccccc2C1","O=C(O)C1Cc2c(C=C1)cccc2","","O=C(O)C1C=Cc2ccccc2C1","O=C(O)C1Cc2c(C=C1)cccc2","","O=C(O)C1C=Cc2ccccc2C1","O=C(O)C1Cc2c(C=C1)cccc2","","O=C(O)C1C=Cc2ccccc2C1","O=C(O)C1Cc2c(C=C1)cccc2",""]
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[3399,"3572-43-8","","","","CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1","CN(Cc1c(c(cc(c1)Br)Br)N)C2CCCCC2","","","","","CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1","CN(Cc1c(c(cc(c1)Br)Br)N)C2CCCCC2",""]
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[3432,"3771-38-8","","","","Cc1cc(N(CCO)CCO)ccc1N=Nc1ccccc1","Cc1c(ccc(c1)N(CCO)CCO)N=Nc2ccccc2","[2H]IS(1)","CC(C)=C1CC2(C)C(C)CCCC2CC1=O","CC(C)=C1C(CC2C(C1)(C)C(C)CCC2)=O","[2H]IS(1)","Cc1cc(N(CCO)CCO)ccc1N=Nc1ccccc1","Cc1c(ccc(c1)N(CCO)CCO)N=Nc2ccccc2","[2H]IS(1)"]
[3451,"3972-40-5","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O","","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O","","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O","","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O",""]
[3461,"4111-60-8","","","","","","","","","","CCC(CC)(C(=O)O)C(CC)(CC)C(=O)O","CCC(CC)(C(=O)O)C(CC)(CC)C(=O)O",""]
[3470,"4198-33-8","","","","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O","","","","","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O",""]
[3473,"4226-18-0","","","","CNC(CC(=O)O)C(=O)O","CNC(CC(=O)O)C(=O)O","","CNC(CC(=O)O)C(=O)O","CNC(CC(=O)O)C(=O)O","","CNC(CC(=O)O)C(=O)O","CNC(CC(=O)O)C(=O)O",""]
[3480,"4340-77-6","Clc1ccc(N=Nc2ccccc2)cc1","Clc1ccc(cc1)N=Nc2ccccc2","","Clc1ccc(N=Nc2ccccc2)cc1","Clc1ccc(cc1)N=Nc2ccccc2","","Clc1ccc(N=Nc2ccccc2)cc1","Clc1ccc(cc1)N=Nc2ccccc2","","Clc1ccc(N=Nc2ccccc2)cc1","Clc1ccc(cc1)N=Nc2ccccc2",""]
[3481,"4341-15-5","","","","","","","","","","O=C1OCCCN1N=Cc1ccc([N+](=O)[O-])o1","O=C1N(CCCO1)N=Cc2oc(cc2)[N+](=O)[O-]",""]
[3490,"4396-01-4","","","","CC(=O)CC1CCCCN1","CC(=O)CC1NCCCC1","","CC(=O)CC1CCCCN1","CC(=O)CC1NCCCC1","","CC(=O)CC1CCCCN1","CC(=O)CC1NCCCC1",""]
[3502,"4454-18-6","CC(CCC(C)C(=O)O)C(=O)O","CC(CCC(C)C(=O)O)C(=O)O","","CC(CCC(C)C(=O)O)C(=O)O","CC(CCC(C)C(=O)O)C(=O)O","","CC(CCC(C)C(=O)O)C(=O)O","CC(CCC(C)C(=O)O)C(=O)O","","CC(CCC(C)C(=O)O)C(=O)O","CC(CCC(C)C(=O)O)C(=O)O",""]
[3517,"4636-40-2","","","","","","","","","","O=c1ccc(Br)cc(Br)c1O","O=c1c(c(cc(cc1)Br)Br)O",""]
[3525,"4720-09-6","","","","CC(=O)OC1C2CCC3C(C)(O)C4CC(O)C(C)(C)C4(O)C(O)CC13CC2(C)O","CC(=O)OC1C23C(CCC1C(C2)(C)O)C(C)(O)C4C(C(C(C4)O)(C)C)(O)C(O)C3","","CC(=O)OC1C2CCC3C(C)(O)C4CC(O)C(C)(C)C4(O)C(O)CC13CC2(C)O","CC(=O)OC1C23C(CCC1C(C2)(C)O)C(C)(O)C4C(C(C(C4)O)(C)C)(O)C(O)C3","","CC(=O)OC1C2CCC3C(C)(O)C4CC(O)C(C)(C)C4(O)C(O)CC13CC2(C)O","CC(=O)OC1C23C(CCC1C(C2)(C)O)C(C)(O)C4C(C(C(C4)O)(C)C)(O)C(O)C3",""]
[3526,"4724-01-0","","","","","","","NCCCNc1ccccc1","NCCCNc1ccccc1","","","",""]
[3531,"4746-61-6","","","","CC(=O)Nc1ccccc1O","CC(=O)Nc1c(cccc1)O","","NC(=O)C(O)c1ccccc1","NC(=O)C(O)c1ccccc1","","O=C(CO)Nc1ccccc1","O=C(CO)Nc1ccccc1",""]
[3532,"4770-31-4","","","","","","","","","","CCC1(CC)OC(=O)c2ccccc21","CCC1(c2c(C(O1)=O)cccc2)CC",""]
[3543,"4825-95-0","CCOC(=O)c1cc(=O)oc2ccccc12","CCOC(=O)c1c2c(oc(c1)=O)cccc2","","","","","","","","CCOC(=O)c1cc(=O)oc2ccccc12","CCOC(=O)c1c2c(oc(c1)=O)cccc2",""]
[3544,"4825-96-1","","","","","","","","","","","",""]
[3559,"5065-18-9","","","","","","","","","","O=C(O)CSCCCSCC(=O)O","O=C(O)CSCCCSCC(=O)O",""]
[3576,"5226-98-2","","","","CN1C2CCC1CC(OC(=O)C(COS(=O)(=O)O)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(COS(=O)(=O)O)c3ccccc3","","","","","CN1C2CCC1CC(OC(=O)C(COS(=O)(=O)O)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(COS(=O)(=O)O)c3ccccc3",""]
[3590,"5341-95-7","","","","CC(O)C(C)O","CC(O)C(C)O","","CC(O)C(C)O","CC(O)C(C)O","","CC(O)C(C)O","CC(O)C(C)O",""]
[3594,"5370-08-1","","","","","","","","","","","",""]
[3597,"5394-83-2","","","","CC1(C(=O)O)CCC(C(=O)O)C1(C)C","CC1(C(C(CC1)C(=O)O)(C)C)C(=O)O","","","","","CC1(C(=O)O)CCC(C(=O)O)C1(C)C","CC1(C(C(CC1)C(=O)O)(C)C)C(=O)O",""]
[3602,"5409-83-6","","","","Clc1ccc2oc3ccc(Cl)cc3c2c1","Clc1cc2c(cc1)oc3c2cc(cc3)Cl","","Clc1ccc2oc3ccc(Cl)cc3c2c1","Clc1cc2c(cc1)oc3c2cc(cc3)Cl","","","",""]
[3613,"5445-04-5","","","","","","","","","","NC(CS(=O)(=O)c1ccc(Cl)cc1)C(=O)O","NC(CS(=O)(=O)c1ccc(cc1)Cl)C(=O)O",""]
[3619,"5464-31-3","","","","","","","CSCCC(NCCC#N)C(=O)O","CSCCC(NCCC#N)C(=O)O","","CSCCC(NCCC#N)C(=O)O","CSCCC(NCCC#N)C(=O)O",""]
[3620,"5464-34-6","","","","","","","","","","CC(C(=O)O)N(CCC#N)CCC#N","CC(C(=O)O)N(CCC#N)CCC#N",""]
[3622,"5464-40-4","","","","","","","","","","CSCCC(C(=O)O)N(CCC#N)CCC#N","CSCCC(C(=O)O)N(CCC#N)CCC#N",""]
[3624,"5466-36-4","","","","","","","","","","","",""]
[3633,"5582-82-1","","","","CCCCC(C)(O)CC","CCCCC(C)(O)CC","","CCCCC(C)(O)CC","CCCCC(C)(O)CC","","CCCCC(C)(O)CC","CCCCC(C)(O)CC",""]
[3639,"5614-53-9","","","","","","","","","","Cn1c(=O)c2c(ncn2CC=O)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)CC=O)C)=O",""]
[3641,"5625-46-7","CC1NC(=O)C(C)NC1=O","CC1C(NC(C(N1)=O)C)=O","","CC1NC(=O)C(C)NC1=O","CC1C(NC(C(N1)=O)C)=O","","CC1NC(=O)C(C)NC1=O","CC1C(NC(C(N1)=O)C)=O","","CC1NC(=O)C(C)NC1=O","CC1C(NC(C(N1)=O)C)=O",""]
[3642,"5625-49-0","","","","","","","","","","","",""]
[3643,"5626-54-0","","","","","","","O=C1CCC(C(=O)Nc2ccccc2)N1","O=C1NC(CC1)C(=O)Nc2ccccc2","","O=C1CCC(C(=O)Nc2ccccc2)N1","O=C1NC(CC1)C(=O)Nc2ccccc2",""]
[3646,"5648-29-3","","","","","","","","","","CCOCOCOCC","CCOCOCOCC",""]
[3647,"5651-01-4","","","","","","","","","","O=C(O)C(=O)Nc1ccccc1C(=O)O","O=C(O)C(=O)Nc1c(cccc1)C(=O)O",""]
[3652,"5664-51-7","","","","","","","","","","","",""]
[3653,"5666-23-9","","","","","","","","","","","",""]
[3657,"5707-59-5","","","","","","","","","","CC=C(Cc1ccccc1)C(=O)O","CC=C(Cc1ccccc1)C(=O)O",""]
[3658,"5739-18-4","","","","","","","","","","CC(O)(CCC(C)(O)C(=O)O)C(=O)O","CC(O)(CCC(C)(O)C(=O)O)C(=O)O",""]
[3659,"5756-69-4","","","","CN(O)N=Nc1ccccc1","CN(O)N=Nc1ccccc1","","","","","CN(O)N=Nc1ccccc1","CN(O)N=Nc1ccccc1",""]
[3690,"6009-81-0","","","","CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","O(1)","","","","CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","O(1)"]
[3698,"6054-99-5","O=C([O-])c1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1O","O=C(O)c1c(ccc(c1)N=Nc2ccc(cc2)S(=O)(=O)O)O","C.I(1), [Na+](2)","O=C([O-])c1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1O","O=C(O)c1c(ccc(c1)N=Nc2ccc(cc2)S(=O)(=O)O)O","C.I(1), [Na+](2)","O=C([O-])C1=CC(=NNc2ccc(S(=O)(=O)[O-])cc2)C=CC1=O","O=C(O)C=1C(C=CC(C1)=NNc2ccc(cc2)S(=O)(=O)O)=O","C.I(1), [Na+](2)","O=C([O-])C1=CC(=NNc2ccc(S(=O)(=O)[O-])cc2)C=CC1=O","O=C(O)C=1C(C=CC(C1)=NNc2ccc(cc2)S(=O)(=O)O)=O","C.I(1), [Na+](2)",null,"Organic counterion"]
[3700,"6093-30-7","","","","","","","","","","O=C(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])c1ccccc1C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=C(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])c1c(cccc1)C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",""]
[3701,"6111-61-1","","","","","","","","","","CCC(O)C(Cl)(Cl)Cl","CCC(O)C(Cl)(Cl)Cl",""]
[3703,"6119-53-5","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","OP=O(1)","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","OP=O(1)","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","O[PH+]=O(1)","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","O[PH+]=O(1)"]
[3705,"6138-01-8","","","","","","","","","","Nc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2sc3c(n2)cccc3",""]
[3708,"6159-60-0","","","","","","","","","","","",""]
[3715,"6214-28-4","","","","CC(Cl)=CC(=O)O","CC(Cl)=CC(=O)O","","CC(Cl)=CC(=O)O","CC(Cl)=CC(=O)O","","CC(Cl)=CC(=O)O","CC(Cl)=CC(=O)O",""]
[3719,"6245-33-6","","","","","","","","","","","",""]
[3743,"6328-87-6","","","","","","","","","","CC(C)CC(NCCC#N)C(=O)O","CC(C)CC(NCCC#N)C(=O)O",""]
[3752,"6409-48-9","","","","","","","","","","Nc1cc(S(=O)(=O)O)c(N)c(S(=O)(=O)O)c1","Nc1cc(c(c(c1)S(=O)(=O)O)N)S(=O)(=O)O",""]
[3766,"6566-40-1","","","","","","","","","","O=C1CC(C(=O)O)Cc2ccccc21","O=C1c2c(CC(C1)C(=O)O)cccc2",""]
[3769,"6620-95-7","","","","NC(CO)C(=O)NC(CO)C(=O)O","NC(CO)C(=O)NC(CO)C(=O)O","","","","","NC(CO)C(=O)NC(CO)C(=O)O","NC(CO)C(=O)NC(CO)C(=O)O",""]
[3771,"6635-29-6","","","","","","","","","","O=NC1=C(NO)CCC1","O=NC=1CCCC1NO",""]
[3779,"6744-92-9","","","","","","","","","","","",""]
[3781,"6795-87-5","CCC(C)OC","CCC(C)OC","","CCC(C)OC","CCC(C)OC","","CCC(C)OC","CCC(C)OC","","","",""]
[3782,"6806-76-4","C=CCOC(CO)CO","C=CCOC(CO)CO","","C=CCOC(CO)CO","C=CCOC(CO)CO","","C=CCOC(CO)CO","C=CCOC(CO)CO","","C=CCOC(CO)CO","C=CCOC(CO)CO",""]
[3787,"6842-62-2","Clc1ccc(Oc2cccc(Cl)c2)cc1","Clc1ccc(cc1)Oc2cc(ccc2)Cl","","Clc1ccc(Oc2cccc(Cl)c2)cc1","Clc1ccc(cc1)Oc2cc(ccc2)Cl","","Clc1ccc(Oc2cccc(Cl)c2)cc1","Clc1ccc(cc1)Oc2cc(ccc2)Cl","","Clc1ccc(Oc2cccc(Cl)c2)cc1","Clc1ccc(cc1)Oc2cc(ccc2)Cl",""]
[3798,"6936-40-9","","","","COc1c(Cl)c(Cl)cc(Cl)c1Cl","COc1c(c(cc(c1Cl)Cl)Cl)Cl","","COc1c(Cl)c(Cl)cc(Cl)c1Cl","COc1c(c(cc(c1Cl)Cl)Cl)Cl","","COc1c(Cl)c(Cl)cc(Cl)c1Cl","COc1c(c(cc(c1Cl)Cl)Cl)Cl",""]
[3815,"7100-92-7","","","","","","","CCCCP(=O)(CCCC)OCC","CCCCP(=O)(CCCC)OCC","","CCCCP(=O)(CCCC)OCC","CCCCP(=O)(CCCC)OCC",""]
[3823,"7251-85-6","OC(CCl)C(O)C(O)C(O)CCl","OC(CCl)C(O)C(O)C(O)CCl","","OC(CCl)C(O)C(O)C(O)CCl","OC(CCl)C(O)C(O)C(O)CCl","","OC(CCl)C(O)C(O)C(O)CCl","OC(CCl)C(O)C(O)C(O)CCl","","OC(CCl)C(O)C(O)C(O)CCl","OC(CCl)C(O)C(O)C(O)CCl",""]
[3831,"7345-19-9","","","","","","","","","","","",""]
[3832,"7352-07-0","","","","","","","O=C(NC(C(=O)O)c1ccccc1)c1ccccc1","O=C(NC(C(=O)O)c1ccccc1)c2ccccc2","","O=C(NC(C(=O)O)c1ccccc1)c1ccccc1","O=C(NC(C(=O)O)c1ccccc1)c2ccccc2",""]
[3837,"7402-93-9","","","","","","","","","","O=P(O)(O)c1cccc2ccccc12","O=P(O)(O)c1c2c(ccc1)cccc2",""]
[3847,"7475-29-8","","","","","","","","","","O=C(O)c1ccc2c(c1C(=O)O)C(=O)c1ccccc1C2=O","O=C(O)c1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)C(=O)O",""]
[3855,"7525-08-8","O=P(O)(O)c1ccccc1N=Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccccc3P(=O)(O)O)c(O)c2c1O","O=P(O)(O)c1c(cccc1)N=Nc2c(c3c(cc2S(=O)(=O)O)cc(S(=O)(=O)O)c(N=Nc4c(cccc4)P(=O)(O)O)c3O)O","[Na+](2)","","","","","","","","",""]
[3859,"7559-55-9","","","","","","","","","","CCCCSS(=O)CCCC","CCCCSS(=O)CCCC",""]
[3869,"7681-93-8","","","","CC1CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)O","CC1OC(C=CC2C(CC(CC3(OC(CC(C=CC=CC=CC=CC1)OC4C(C(C(C(O4)C)O)N)O)C(C(C3)O)C(=O)O)O)O)O2)=O","","","","","CC1CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)O","CC1OC(C=CC2C(CC(CC3(OC(CC(C=CC=CC=CC=CC1)OC4C(C(C(C(O4)C)O)N)O)C(C(C3)O)C(=O)O)O)O)O2)=O",""]
[3870,"7682-16-8","","","","","","","","","","CCCCC(NC(C)=O)C(=O)O","CCCCC(NC(C)=O)C(=O)O",""]
[3888,"8000-97-3","","","","CCOP(=O)(OCC)SCCSCC","CCOP(=O)(OCC)SCCSCC","P(=S)(OCC)(OCC)OCCSCC(1)","CCOP(=O)(OCC)SCCSCC","CCOP(=O)(OCC)SCCSCC","CCOP(=S)(OCC)OCCSCC(1)","CCOP(=O)(OCC)SCCSCC","CCOP(=O)(OCC)SCCSCC","CCOP(=S)(OCC)OCCSCC(1)",null,"Organic counterion"]
[3889,"8048-52-0","","","","C[n+]1c2cc(N)ccc2cc2ccc(N)cc21","C[n+]1c2c(cc3c1cc(N)cc3)ccc(N)c2","c1cc(cc2c1cc3ccc(cc3n2)N)N(1), [Cl-](1)","C[n+]1c2cc(N)ccc2cc2ccc(N)cc21","C[n+]1c2c(cc3c1cc(N)cc3)ccc(N)c2","c1cc(cc2nc3c(ccc(c3)N)cc12)N(1), [Cl-](1)","","","",null,"Organic counterion"]
[3890,"8065-36-9","CCCC(C)c1cccc(OC(=O)NC)c1","CCCC(C)c1cc(ccc1)OC(=O)NC","CCCC(C)c1cccc(OC(=O)NC)c1(2), CCC(CC)c1cccc(OC(=O)NC)c1(1)","CCCC(C)c1cccc(OC(=O)NC)c1","CCCC(C)c1cc(ccc1)OC(=O)NC","CCCC(C)c1cccc(OC(=O)NC)c1(2), CCC(CC)c1cccc(OC(=O)NC)c1(1)","CCCC(C)c1cccc(OC(=O)NC)c1","CCCC(C)c1cc(ccc1)OC(=O)NC","CCC(CC)c1cc(ccc1)OC(=O)NC(1)","CCCC(C)c1cccc(OC(=O)NC)c1","CCCC(C)c1cc(ccc1)OC(=O)NC","CCC(CC)c1cc(ccc1)OC(=O)NC(1)",null,"Organic counterion"]
[3897,"10054-21-4","CCCCCCCCCCCCN1CC(C(=O)O)CC1=O","CCCCCCCCCCCCN1C(CC(C1)C(=O)O)=O","","CCCCCCCCCCCCN1CC(C(=O)O)CC1=O","CCCCCCCCCCCCN1C(CC(C1)C(=O)O)=O","","CCCCCCCCCCCCN1CC(C(=O)O)CC1=O","CCCCCCCCCCCCN1C(CC(C1)C(=O)O)=O","","CCCCCCCCCCCCN1CC(C(=O)O)CC1=O","CCCCCCCCCCCCN1C(CC(C1)C(=O)O)=O",""]
[3902,"10118-90-8","","","","CN(C)c1ccc(O)c2c1CC1CC3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C1C2=O","CN(C)c1c2c(c(cc1)O)C(C=3C(C2)CC4C(C(C(=C(C4N(C)C)O)C(N)=O)=O)(O)C3O)=O","","CN(C)c1ccc(O)c2c1CC1CC3C(N(C)C)C(=O)C(C(N)=O)=C(O)C3(O)C(=O)C1=C2O","CN(C)c1c2c(c(cc1)O)C(=C3C(C2)CC4C(C(=C(C(C4N(C)C)=O)C(N)=O)O)(O)C3=O)O","","CN(C)c1ccc(O)c2c1CC1CC3C(N(C)C)C(=O)C(C(N)=O)=C(O)C3(O)C(=O)C1=C2O","CN(C)c1c2c(c(cc1)O)C(=C3C(C2)CC4C(C(=C(C(C4N(C)C)=O)C(N)=O)O)(O)C3=O)O",""]
[3916,"10373-81-6","CC12CCC(C(O)C1=O)C2(C)C","CC12C(C(C(CC1)C2(C)C)O)=O","","","","","","","","CC12CCC(C(O)C1=O)C2(C)C","CC12C(C(C(CC1)C2(C)C)O)=O",""]
[3932,"11096-82-5","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl","","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl","","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl","","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl",""]
[3933,"11097-69-1","Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","","Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","","Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","","Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",""]
[3937,"11672-87-0","","","","","","","O=P(O)(O)CCCl","O=P(O)(O)CCCl","","","",""]
[3938,"12002-48-1","","","","","","","Clc1cccc(Cl)c1Cl","Clc1c(c(ccc1)Cl)Cl","","Clc1cccc(Cl)c1Cl","Clc1c(c(ccc1)Cl)Cl",""]
[3941,"12407-86-2","","","","CNC(=O)Oc1cc(C)cc(C)c1C","CNC(=O)Oc1c(c(cc(c1)C)C)C","","CNC(=O)Oc1cc(C)cc(C)c1C","CNC(=O)Oc1c(c(cc(c1)C)C)C","","CNC(=O)Oc1cc(C)cc(C)c1C","CNC(=O)Oc1c(c(cc(c1)C)C)C",""]
[3942,"12672-29-6","Clc1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl","","Clc1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl","","","","","Clc1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl",""]
[3943,"12674-11-2","Clc1cccc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(ccc1)-c2cc(cc(c2)Cl)Cl","","Clc1cccc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(ccc1)-c2cc(cc(c2)Cl)Cl","","Clc1cccc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(ccc1)-c2cc(cc(c2)Cl)Cl","","Clc1cccc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(ccc1)-c2cc(cc(c2)Cl)Cl",""]
[3947,"13021-58-4","","","","","","","","","","","",""]
[3955,"13137-64-9","","","","COC1CC(OC2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1O","COC1C(C(OC(C1)OC2CC3(C(CC2)(C)C4C(C5(C(CC4)(C)C(C=6COC(C6)=O)CC5)O)CC3)O)C)OC7C(C(C(C(O7)CO)O)O)O","","COC1CC(OC2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1O","COC1C(C(OC(C1)OC2CC3(C(CC2)(C)C4C(C5(C(CC4)(C)C(C=6COC(C6)=O)CC5)O)CC3)O)C)OC7C(C(C(C(O7)CO)O)O)O","","COC1CC(OC2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1O","COC1C(C(OC(C1)OC2CC3(C(CC2)(C)C4C(C5(C(CC4)(C)C(C=6COC(C6)=O)CC5)O)CC3)O)C)OC7C(C(C(C(O7)CO)O)O)O",""]
[3956,"13148-94-2","","","","","","","","","","CC1=C(C(=O)O)CCCC1","CC=1CCCCC1C(=O)O",""]
[3963,"13230-97-2","","","","","","","O=c1[nH]c2c[nH+]cnc2[nH]1","O=c1[nH]c2c([nH]1)cncn2","","O=c1[nH]c2cncnc2[nH]1","O=c1[nH]c2c([nH]1)cncn2",""]
[3965,"13261-53-5","","","","","","","NC(N)=NC(N)=Nc1cccc2ccccc12","NC(N)=NC(N)=Nc1c2c(ccc1)cccc2","","NC(N)=NC(N)=Nc1cccc2ccccc12","NC(N)=NC(N)=Nc1c2c(ccc1)cccc2",""]
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[4517,"30952-65-9","","","","","","","","","","","",""]
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[4571,"33739-01-4","","","","","","","","","","","",""]
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[4588,"34465-46-8","","","","","","","","","","","",""]
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[4629,"36483-60-0","","","","","","","","","","","",""]
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[4690,"38624-46-3","","","","","","","","","","","",""]
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[4711,"39300-45-3","","","","","","","","","","","",""]
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[4725,"40078-42-0","","","","","","","","","","","",""]
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[4750,"41476-09-9","","","","","","","","","","","",""]
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[4778,"49861-19-0","","","","","","","","","","","",""]
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[4811,"51440-83-6","","","","","","","","","","","",""]
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[4829,"52137-33-4","","","","","","","","","","","",""]
[4833,"52363-15-2","","","","","","","","","","O=C(O)CSC1CCCCC1","O=C(O)CSC1CCCCC1",""]
[4835,"52387-57-2","","","","","","","","","","","",""]
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[4879,"53893-44-0","","","","","","","","","","","",""]
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[5435,"99057-45-1","","","","","","","","","","","",""]
[5455,"100911-61-3","","","","","","","","","","","",""]
[5459,"101205-02-1","","","","CCCC(=NOCC)C1=C(O)CC(C2CCCSC2)CC1=O","CCCC(=NOCC)C=1C(CC(CC1O)C2CSCCC2)=O","","CCCC(NOCC)=C1C(=O)CC(C2CCCSC2)CC1=O","CCCC(NOCC)=C1C(CC(CC1=O)C2CSCCC2)=O","","CCCC(NOCC)=C1C(=O)CC(C2CCCSC2)CC1=O","CCCC(NOCC)=C1C(CC(CC1=O)C2CSCCC2)=O",""]
[5466,"101774-91-8","","","","","","","","","","","",""]
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[5484,"103983-05-7","","","","","","","","","","","",""]
[5486,"104273-73-6","","","","O=C1CC(C(=O)O)CC(=O)C1=C(O)C1CC1","O=C1C(C(CC(C1)C(=O)O)=O)=C(O)C2CC2","","O=C1CC(C(=O)O)CC(=O)C1=C(O)C1CC1","O=C1C(C(CC(C1)C(=O)O)=O)=C(O)C2CC2","","","",""]
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[5504,"106231-52-1","","","","","","","","","","CC(C)(C)NC(=O)COC(=O)c1ccccc1","CC(C)(C)NC(=O)COC(=O)c1ccccc1",""]
[5505,"106231-53-2","","","","","","","","","","","",""]
[5510,"106231-58-7","","","","","","","","","","C=CCN(CC=C)C(=O)COC(=O)c1ccccc1","C=CCN(CC=C)C(=O)COC(=O)c1ccccc1",""]
[5516,"106231-64-5","","","","","","","","","","CN(CC(=O)O)C(=O)COC(=O)c1ccccc1","CN(CC(=O)O)C(=O)COC(=O)c1ccccc1",""]
[5517,"106231-67-8","","","","","","","","","","O=C(OCC(=O)N1CCCCC1)c1ccccc1","O=C(OCC(=O)N1CCCCC1)c2ccccc2",""]
[5518,"106231-68-9","","","","","","","","","","O=C(OCC(=O)N1CCOCC1)c1ccccc1","O=C(OCC(=O)N1CCOCC1)c2ccccc2",""]
[5525,"106325-08-0","Fc1ccc(C2(Cn3cncn3)OC2c2ccccc2Cl)cc1","Fc1ccc(cc1)C2(C(O2)c3c(cccc3)Cl)Cn4ncnc4","","Fc1ccc(C2(Cn3cncn3)OC2c2ccccc2Cl)cc1","Fc1ccc(cc1)C2(C(O2)c3c(cccc3)Cl)Cn4ncnc4","","Fc1ccc(C2(Cn3cncn3)OC2c2ccccc2Cl)cc1","Fc1ccc(cc1)C2(C(O2)c3c(cccc3)Cl)Cn4ncnc4","","Fc1ccc(C2(Cn3cncn3)OC2c2ccccc2Cl)cc1","Fc1ccc(cc1)C2(C(O2)c3c(cccc3)Cl)Cn4ncnc4",""]
[5528,"106596-34-3","","","","","","","","","","","",""]
[5529,"106840-27-1","","","","","","","","","","","",""]
[5531,"107203-72-5","","","","","","","","","","","",""]
[5535,"108966-49-0","","","","","","","","","","NS(=O)(=O)c1ccc(S(=O)(=O)CCO)cc1","NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCO",""]
[5537,"108966-53-6","","","","","","","","","","CC(C)(O)CCSc1ccc(S(N)(=O)=O)cc1","CC(C)(O)CCSc1ccc(cc1)S(N)(=O)=O",""]
[5539,"108966-55-8","","","","","","","","","","NS(=O)(=O)c1ccc(S(=O)(=O)CCCO)cc1","NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCO",""]
[5540,"108966-56-9","","","","","","","","","","CC(C)(O)CCS(=O)(=O)c1ccc(S(N)(=O)=O)cc1","CC(C)(O)CCS(=O)(=O)c1ccc(cc1)S(N)(=O)=O",""]
[5541,"108966-58-1","","","","","","","","","","NS(=O)(=O)c1ccc(SCCO)c([N+](=O)[O-])c1","NS(=O)(=O)c1cc(c(cc1)SCCO)[N+](=O)[O-]",""]
[5545,"108966-70-7","","","","","","","","","","NS(=O)(=O)c1ccc(SCCO)c(F)c1","NS(=O)(=O)c1cc(c(cc1)SCCO)F",""]
[5546,"108966-74-1","","","","","","","","","","NS(=O)(=O)c1ccc(SCCCO)c(F)c1","NS(=O)(=O)c1cc(c(cc1)SCCCO)F",""]
[5547,"108966-75-2","","","","","","","","","","NS(=O)(=O)c1ccc(SCCCCO)c(F)c1","NS(=O)(=O)c1cc(c(cc1)SCCCCO)F",""]
[5548,"108966-76-3","","","","","","","","","","NS(=O)(=O)c1ccc(S(=O)(=O)CCO)c(F)c1","NS(=O)(=O)c1cc(c(cc1)S(=O)(=O)CCO)F",""]
[5549,"108966-77-4","","","","","","","","","","NS(=O)(=O)c1ccc(S(=O)(=O)CCCO)c(F)c1","NS(=O)(=O)c1cc(c(cc1)S(=O)(=O)CCCO)F",""]
[5550,"108966-78-5","","","","","","","","","","NS(=O)(=O)c1ccc(S(=O)(=O)CCCCO)cc1","NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCCO",""]
[5551,"108967-69-7","","","","","","","","","","CC(O)(CCC(C)(O)C(=O)O)C(=O)O","CC(O)(CCC(C)(O)C(=O)O)C(=O)O",""]
[5557,"110104-37-5","CC(=O)Nc1nc2c(ncn2COCCO)c(=O)[nH]1","CC(=O)Nc1[nH]c(c2c(n1)n(cn2)COCCO)=O","","CC(=O)Nc1nc2c(ncn2COCCO)c(=O)[nH]1","CC(=O)Nc1[nH]c(c2c(n1)n(cn2)COCCO)=O","","","","","CC(=O)Nc1nc(=O)c2ncn(COCCO)c2[nH]1","CC(=O)Nc1[nH]c2c(c(n1)=O)ncn2COCCO",""]
[5559,"110956-75-7","CC(C)=C1OC(=O)N(c2cc(OC3CCCC3)c(Cl)cc2F)C1=O","CC(C)=C1C(N(C(O1)=O)c2c(cc(c(c2)OC3CCCC3)Cl)F)=O","","CC(C)=C1OC(=O)N(c2cc(OC3CCCC3)c(Cl)cc2F)C1=O","CC(C)=C1C(N(C(O1)=O)c2c(cc(c(c2)OC3CCCC3)Cl)F)=O","","CC(C)=C1OC(=O)N(c2cc(OC3CCCC3)c(Cl)cc2F)C1=O","CC(C)=C1C(N(C(O1)=O)c2c(cc(c(c2)OC3CCCC3)Cl)F)=O","","","",""]
[5562,"111578-32-6","CON(C)C(=O)Nc1ccc(Oc2ccc3c(c2)OC(C)(OC)CC3(C)C)cc1","CON(C)C(=O)Nc1ccc(cc1)Oc2cc3c(cc2)C(CC(O3)(C)OC)(C)C","","CON(C)C(=O)Nc1ccc(Oc2ccc3c(c2)OC(C)(OC)CC3(C)C)cc1","CON(C)C(=O)Nc1ccc(cc1)Oc2cc3c(cc2)C(CC(O3)(C)OC)(C)C","","CON(C)C(=O)Nc1ccc(Oc2ccc3c(c2)OC(C)(OC)CC3(C)C)cc1","CON(C)C(=O)Nc1ccc(cc1)Oc2cc3c(cc2)C(CC(O3)(C)OC)(C)C","","CON(C)C(=O)Nc1ccc(Oc2ccc3c(c2)OC(C)(OC)CC3(C)C)cc1","CON(C)C(=O)Nc1ccc(cc1)Oc2cc3c(cc2)C(CC(O3)(C)OC)(C)C",""]
[5578,"113597-78-7","","","","","","","","","","Nc1ccc(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1","Nc1ccc(cc1)S(=O)(=O)c2c(cc(cc2)S(N)(=O)=O)[N+](=O)[O-]",""]
[5582,"114665-08-6","","","","","","","","","","CN(C)C(=O)COC(=O)c1ccccc1O","CN(C)C(=O)COC(=O)c1c(cccc1)O",""]
[5583,"114665-09-7","","","","","","","","","","CN(CCO)C(=O)COC(=O)c1ccccc1O","CN(CCO)C(=O)COC(=O)c1c(cccc1)O",""]
[5586,"115178-66-0","","","","","","","","","","O=C(OCC(=O)N1CCC1)c1ccccc1","O=C(OCC(=O)N1CCC1)c2ccccc2",""]
[5587,"115178-68-2","","","","","","","","","","O=C(OCC(=O)N1CCCCCC1)c1ccccc1","O=C(OCC(=O)N1CCCCCC1)c2ccccc2",""]
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[5593,"115178-78-4","","","","","","","","","","CN(C)C(=O)CCCOC(=O)c1ccccc1","CN(C)C(=O)CCCOC(=O)c1ccccc1",""]
[5595,"115178-80-8","","","","","","","","","","CC(=O)N(C)C(=O)COC(=O)c1ccccc1","CC(=O)N(C)C(=O)COC(=O)c1ccccc1",""]
[5596,"115193-27-6","","","","","","","","","","CC(C)NC(=O)COC(=O)c1ccccc1","CC(C)NC(=O)COC(=O)c1ccccc1",""]
[5597,"115193-28-7","","","","","","","","","","CCCCNC(=O)COC(=O)c1ccccc1","CCCCNC(=O)COC(=O)c1ccccc1",""]
[5598,"115193-29-8","","","","","","","","","","CCCCCCNC(=O)COC(=O)c1ccccc1","CCCCCCNC(=O)COC(=O)c1ccccc1",""]
[5599,"115193-30-1","","","","","","","","","","CC(NC(=O)COC(=O)c1ccccc1)C(N)=O","CC(NC(=O)COC(=O)c1ccccc1)C(N)=O",""]
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[5605,"116482-75-8","","","","","","","","","","CCCN(CCC)C(=O)COC(=O)c1ccccc1OC(C)=O","CCCN(CCC)C(=O)COC(=O)c1c(cccc1)OC(C)=O",""]
[5608,"116482-80-5","","","","","","","","","","CC(=O)Oc1ccccc1C(=O)OCC(=O)N1CCOCC1","CC(=O)Oc1c(cccc1)C(=O)OCC(=O)N2CCOCC2",""]
[5610,"116724-10-8","","","","CCNC(C)CC","CCNC(C)CC","","CCNC(C)CC","CCNC(C)CC","","CCNC(C)CC","CCNC(C)CC",""]
[5614,"117468-79-8","","","","","","","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",""]
[5622,"118247-04-4","","","","","","","","","","CC(=O)Oc1ccccc1C(=O)OCC(=O)N(C)C","CC(=O)Oc1c(cccc1)C(=O)OCC(=O)N(C)C",""]
[5623,"118247-07-7","","","","","","","","","","CCCC(=O)OCOC(=O)c1ccccc1OC(C)=O","CCCC(=O)OCOC(=O)c1c(cccc1)OC(C)=O",""]
[5628,"118993-57-0","","","","","","","NS(=O)(=O)c1cc(C(=O)c2ccc(O)cc2)cs1","NS(=O)(=O)c1scc(c1)C(=O)c2ccc(cc2)O","","NS(=O)(=O)c1cc(C(=O)c2ccc(O)cc2)cs1","NS(=O)(=O)c1scc(c1)C(=O)c2ccc(cc2)O",""]
[5629,"118993-61-6","","","","","","","COc1ccc(C(=O)c2coc(S(N)(=O)=O)c2)cc1","COc1ccc(cc1)C(=O)c2cc(oc2)S(N)(=O)=O","","COc1ccc(C(=O)c2coc(S(N)(=O)=O)c2)cc1","COc1ccc(cc1)C(=O)c2cc(oc2)S(N)(=O)=O",""]
[5630,"119018-06-3","","","","","","","Cc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1","Cc1ccc(cc1)C(=O)c2cc(sc2)S(N)(=O)=O","","Cc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1","Cc1ccc(cc1)C(=O)c2cc(sc2)S(N)(=O)=O",""]
[5646,"122723-93-7","","","","","","","","","","NC(=O)CC(NC(=O)CCl)C(=O)O","NC(=O)CC(NC(=O)CCl)C(=O)O",""]
[5648,"123202-89-1","","","","","","","","","","O=C(OC1CCNCC1)c1ccccc1","O=C(OC1CCNCC1)c2ccccc2",""]
[5651,"123469-53-4","","","","","","","","","","O=C(O)CCCCCCNS(=O)(=O)c1ccccc1","O=C(O)CCCCCCNS(=O)(=O)c1ccccc1",""]
[5652,"123796-70-3","","","","","","","","","","","",""]
[5673,"129586-32-9","","","","OC1(c2ccc(Cl)cc2)CCCCCC1n1cncn1","OC1(C(CCCCC1)n2ncnc2)c3ccc(cc3)Cl","","","","","OC1(c2ccc(Cl)cc2)CCCCCC1n1cncn1","OC1(C(CCCCC1)n2ncnc2)c3ccc(cc3)Cl",""]
[5676,"130339-07-0","CCC(Nc1ncnc(C)c1Cl)c1ccc(OC(F)F)cc1","CCC(Nc1c(c(ncn1)C)Cl)c2ccc(cc2)OC(F)F","","CCC(Nc1ncnc(C)c1Cl)c1ccc(OC(F)F)cc1","CCC(Nc1c(c(ncn1)C)Cl)c2ccc(cc2)OC(F)F","","CCC(Nc1ncnc(C)c1Cl)c1ccc(OC(F)F)cc1","CCC(Nc1c(c(ncn1)C)Cl)c2ccc(cc2)OC(F)F","","CCC(Nc1ncnc(C)c1Cl)c1ccc(OC(F)F)cc1","CCC(Nc1c(c(ncn1)C)Cl)c2ccc(cc2)OC(F)F",""]
[5681,"133220-30-1","CCC1(CC2(c3cccc(Cl)c3)CO2)C(=O)c2ccccc2C1=O","CCC1(C(c2c(C1=O)cccc2)=O)CC3(OC3)c4cc(ccc4)Cl","","CCC1(CC2(c3cccc(Cl)c3)CO2)C(=O)c2ccccc2C1=O","CCC1(C(c2c(C1=O)cccc2)=O)CC3(OC3)c4cc(ccc4)Cl","","CCC1(CC2(c3cccc(Cl)c3)CO2)C(=O)c2ccccc2C1=O","CCC1(C(c2c(C1=O)cccc2)=O)CC3(OC3)c4cc(ccc4)Cl","","CCC1(CC2(c3cccc(Cl)c3)CO2)C(=O)c2ccccc2C1=O","CCC1(C(c2c(C1=O)cccc2)=O)CC3(OC3)c4cc(ccc4)Cl",""]
[5688,"135832-41-6","","","","","","","NS(=O)(=O)c1ccc(SCCCCO)cc1","NS(=O)(=O)c1ccc(cc1)SCCCCO","","NS(=O)(=O)c1ccc(SCCCCO)cc1","NS(=O)(=O)c1ccc(cc1)SCCCCO",""]
[5691,"135832-46-1","","","","","","","","","","NS(=O)(=O)c1ccc(CCCO)cc1","NS(=O)(=O)c1ccc(cc1)CCCO",""]
[5693,"135832-48-3","","","","","","","NS(=O)(=O)c1ccc(CCCCO)cc1","NS(=O)(=O)c1ccc(cc1)CCCCO","","NS(=O)(=O)c1ccc(CCCCO)cc1","NS(=O)(=O)c1ccc(cc1)CCCCO",""]
[5694,"135832-50-7","","","","","","","NS(=O)(=O)c1ccc(CCCCCO)cc1","NS(=O)(=O)c1ccc(cc1)CCCCCO","","NS(=O)(=O)c1ccc(CCCCCO)cc1","NS(=O)(=O)c1ccc(cc1)CCCCCO",""]
[5700,"136986-57-7","","","","","","","","","","","",""]
[5701,"136986-58-8","","","","","","","","","","","",""]
[5702,"136986-59-9","","","","","","","","","","","",""]
[5703,"136986-60-2","","","","","","","","","","","",""]
[5704,"136986-61-3","","","","","","","","","","","",""]
[5705,"136986-62-4","","","","","","","","","","","",""]
[5707,"137013-29-7","","","","","","","","","","","",""]
[5727,"153197-14-9","CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)CO1","CC=1OCN(C(C1c2ccccc2)=O)C(C)(C)c3cc(cc(c3)Cl)Cl","","CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)CO1","CC=1OCN(C(C1c2ccccc2)=O)C(C)(C)c3cc(cc(c3)Cl)Cl","","CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)CO1","CC=1OCN(C(C1c2ccccc2)=O)C(C)(C)c3cc(cc(c3)Cl)Cl","","CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)CO1","CC=1OCN(C(C1c2ccccc2)=O)C(C)(C)c3cc(cc(c3)Cl)Cl",""]
[5730,"155999-93-2","Clc1cccc(Oc2ccc(Cl)cc2Cl)c1","Clc1cc(ccc1)Oc2c(cc(cc2)Cl)Cl","","Clc1cccc(Oc2ccc(Cl)cc2Cl)c1","Clc1cc(ccc1)Oc2c(cc(cc2)Cl)Cl","","Clc1cccc(Oc2ccc(Cl)cc2Cl)c1","Clc1cc(ccc1)Oc2c(cc(cc2)Cl)Cl","","Clc1cccc(Oc2ccc(Cl)cc2Cl)c1","Clc1cc(ccc1)Oc2c(cc(cc2)Cl)Cl",""]
[5731,"157683-71-1","Clc1ccc(Oc2cccc(Cl)c2Cl)cc1","Clc1ccc(cc1)Oc2c(c(ccc2)Cl)Cl","","Clc1ccc(Oc2cccc(Cl)c2Cl)cc1","Clc1ccc(cc1)Oc2c(c(ccc2)Cl)Cl","","Clc1ccc(Oc2cccc(Cl)c2Cl)cc1","Clc1ccc(cc1)Oc2c(c(ccc2)Cl)Cl","","","",""]
[5732,"157683-72-2","Clc1ccc(Oc2c(Cl)cccc2Cl)cc1","Clc1ccc(cc1)Oc2c(cccc2Cl)Cl","","Clc1ccc(Oc2c(Cl)cccc2Cl)cc1","Clc1ccc(cc1)Oc2c(cccc2Cl)Cl","","Clc1ccc(Oc2c(Cl)cccc2Cl)cc1","Clc1ccc(cc1)Oc2c(cccc2Cl)Cl","","Clc1ccc(Oc2c(Cl)cccc2Cl)cc1","Clc1ccc(cc1)Oc2c(cccc2Cl)Cl",""]
[5747,"160791-64-0","","","","","","","CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccc(Br)cc2)c1)c1ccc(OC(F)F)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccc(cc2)Br)c3ccc(cc3)OC(F)F","","CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccc(Br)cc2)c1)c1ccc(OC(F)F)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccc(cc2)Br)c3ccc(cc3)OC(F)F",""]
[5749,"162853-24-9","Clc1cc(Cl)c(Cl)c(Oc2ccccc2)c1","Clc1cc(c(c(c1)Cl)Cl)Oc2ccccc2","","Clc1cc(Cl)c(Cl)c(Oc2ccccc2)c1","Clc1cc(c(c(c1)Cl)Cl)Oc2ccccc2","","Clc1cc(Cl)c(Cl)c(Oc2ccccc2)c1","Clc1cc(c(c(c1)Cl)Cl)Oc2ccccc2","","Clc1cc(Cl)c(Cl)c(Oc2ccccc2)c1","Clc1cc(c(c(c1)Cl)Cl)Oc2ccccc2",""]
[5750,"162853-25-0","Clc1ccc(Cl)c(Oc2ccccc2)c1Cl","Clc1c(c(c(cc1)Cl)Oc2ccccc2)Cl","","Clc1ccc(Cl)c(Oc2ccccc2)c1Cl","Clc1c(c(c(cc1)Cl)Oc2ccccc2)Cl","","Clc1ccc(Cl)c(Oc2ccccc2)c1Cl","Clc1c(c(c(cc1)Cl)Oc2ccccc2)Cl","","Clc1ccc(Cl)c(Oc2ccccc2)c1Cl","Clc1c(c(c(cc1)Cl)Oc2ccccc2)Cl",""]
[5752,"185676-84-0","","","","","","","","","","CC#CCOC(C)c1ccc(OC)c(OC)c1","CC#CCOC(C)c1cc(c(cc1)OC)OC",""]
[5753,"336111-17-2","","","","","","","","","","","",""]
[5754,"336111-18-3","","","","","","","","","","CCOC(=O)C(=Cc1ccoc1)NC=O","CCOC(=O)C(=Cc1cocc1)NC=O",""]
[5755,"SRC002-52-9","","","","","","","CCC(CC)O[N+](=O)[O-]","CCC(CC)O[N+](=O)[O-]","","","",""]
[5756,"SRC003-41-9","","","","","","","O=Cc1cc(O)cc(Br)c1","O=Cc1cc(cc(c1)O)Br","","","",""]
[5763,"SRC003-67-5","","","","","","","","","","","",""]

{"sheet":"Summary","index":5,"n_rows":10,"n_cols":2,"rows_kept":10}
["row ID","Count"]
["Maintain (w/ duplicates) (H reliability)",3723]
["Maintain (w/ duplicates) (M reliability)",912]
["Maintain (w/o duplicates) (H reliability)",3536]
["Maintain (w/o duplicates) (M reliability)",850]
["Manual check",639]
["Rejected (all)",487]
["Rejected (inorganic or unusual elements)",96]
["Rejected (mixtures)",9]
["Rejected (missing/ambiguous)",395]

{"sheet":"Neutalized_and_Counter...","index":6,"n_rows":5762,"n_cols":16,"rows_kept":5762}
["Original ID","CAS_NO","SMILES, CIR_Name","SMILES Neutralized, CIR_Name","Counterions, CIR_Name","SMILES, CIR_CAS","SMILES Neutralized, CIR_CAS","Counterions, CIR_CAS","SMILES, CompTox_Name","SMILES Neutralized, CompTox_Name","Counterions, CompTox_Name","SMILES, CompTox_CAS","SMILES Neutralized, CompTox_CAS","Counterions, CompTox_CAS","Warning (organometallic)","Warning (organic counterion)"]
[1,"50-00-0","C=O","C=O",null,"C=O","C=O",null,"C=O","C=O"]
[2,"50-02-2","CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",null,"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",null,"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",null,"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO"]
[3,"50-03-3","CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O",null,"CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O",null,"CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O",null,"CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O"]
[4,"50-04-4","CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(=O)C2)C)O",null,"CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(=O)C2)C)O",null,"CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(=O)C2)C)O"]
[5,"50-06-6","CCC1(c2ccccc2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)c2ccccc2",null,"CCC1(c2ccccc2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)c2ccccc2",null,"CCC1(c2ccccc2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)c2ccccc2"]
[6,"50-11-3","CCC1(CC)C(=O)NC(=O)N(C)C1=O","CCC1(C(N(C(NC1=O)=O)C)=O)CC",null,"CCC1(CC)C(=O)NC(=O)N(C)C1=O","CCC1(C(N(C(NC1=O)=O)C)=O)CC",null,"CCC1(CC)C(=O)NC(=O)N(C)C1=O","CCC1(C(N(C(NC1=O)=O)C)=O)CC",null,"CCC1(CC)C(=O)NC(=O)N(C)C1=O","CCC1(C(N(C(NC1=O)=O)C)=O)CC"]
[7,"50-13-5","CCOC(=O)C1(c2ccccc2)CCN(C)CC1","CCOC(=O)C1(CCN(CC1)C)c2ccccc2",null,"CCOC(=O)C1(c2ccccc2)CCN(C)CC1","CCOC(=O)C1(CCN(CC1)C)c2ccccc2","[Cl-](1), [H+](1)","CCOC(=O)C1(c2ccccc2)CCN(C)CC1","CCOC(=O)C1(CCN(CC1)C)c2ccccc2"]
[8,"50-18-0","O=P1(N(CCCl)CCCl)NCCCO1","O=P1(OCCCN1)N(CCCl)CCCl",null,"O=P1(N(CCCl)CCCl)NCCCO1","O=P1(OCCCN1)N(CCCl)CCCl",null,"O=P1(N(CCCl)CCCl)NCCCO1","O=P1(OCCCN1)N(CCCl)CCCl",null,"O=P1(N(CCCl)CCCl)NCCCO1","O=P1(OCCCN1)N(CCCl)CCCl"]
[9,"50-19-1","CCC(O)(COC(N)=O)c1ccccc1","CCC(O)(COC(N)=O)c1ccccc1",null,"CCC(O)(COC(N)=O)c1ccccc1","CCC(O)(COC(N)=O)c1ccccc1"]
[10,"50-21-5","CC(O)C(=O)O","CC(O)C(=O)O",null,"CC(O)C(=O)O","CC(O)C(=O)O",null,"CC(O)C(=O)O","CC(O)C(=O)O",null,"CC(O)C(=O)O","CC(O)C(=O)O"]
[11,"50-22-6","CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C)C(C(=O)CO)CC4",null,"CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C)C(C(=O)CO)CC4",null,"CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C)C(C(=O)CO)CC4",null,"CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C)C(C(=O)CO)CC4"]
[12,"50-23-7","CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C",null,"CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C",null,"CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C",null,"CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C"]
[13,"50-24-8","CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(C=C1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C",null,"CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(C=C1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C",null,"CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(C=C1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C",null,"CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(C=C1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C"]
[14,"50-28-2","CC12CCC3c4ccc(O)cc4CCC3C1CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O",null,"CC12CCC3c4ccc(O)cc4CCC3C1CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O",null,"CC12CCC3c4ccc(O)cc4CCC3C1CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O",null,"CC12CCC3c4ccc(O)cc4CCC3C1CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O"]
[15,"50-29-3","Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl",null,"Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl",null,"Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl"]
[16,"50-30-6","O=C(O)c1c(Cl)cccc1Cl","O=C(O)c1c(cccc1Cl)Cl",null,"O=C(O)c1c(Cl)cccc1Cl","O=C(O)c1c(cccc1Cl)Cl",null,"O=C(O)c1c(Cl)cccc1Cl","O=C(O)c1c(cccc1Cl)Cl",null,"O=C(O)c1c(Cl)cccc1Cl","O=C(O)c1c(cccc1Cl)Cl"]
[17,"50-31-7","O=C(O)c1c(Cl)ccc(Cl)c1Cl","O=C(O)c1c(c(ccc1Cl)Cl)Cl",null,"O=C(O)c1c(Cl)ccc(Cl)c1Cl","O=C(O)c1c(c(ccc1Cl)Cl)Cl",null,"O=C(O)c1c(Cl)ccc(Cl)c1Cl","O=C(O)c1c(c(ccc1Cl)Cl)Cl",null,"O=C(O)c1c(Cl)ccc(Cl)c1Cl","O=C(O)c1c(c(ccc1Cl)Cl)Cl"]
[18,"50-32-8","c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34","c1cc2c(cc1)c3ccc4cccc5ccc(c2)c3c54",null,"c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34","c1cc2c(cc1)c3ccc4cccc5ccc(c2)c3c54",null,"c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34","c1cc2c(cc1)c3ccc4cccc5ccc(c2)c3c54",null,"c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34","c1cc2c(cc1)c3ccc4cccc5ccc(c2)c3c54"]
[19,"50-33-9","CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O",null,"CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O",null,"CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O",null,"CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O"]
[20,"50-35-1","O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1","O=C1NC(C(CC1)N2C(c3c(C2=O)cccc3)=O)=O",null,"O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1","O=C1NC(C(CC1)N2C(c3c(C2=O)cccc3)=O)=O",null,"O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1","O=C1NC(C(CC1)N2C(c3c(C2=O)cccc3)=O)=O",null,"O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1","O=C1NC(C(CC1)N2C(c3c(C2=O)cccc3)=O)=O"]
[21,"50-36-2","COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C","COC(=O)C1C2CCC(CC1OC(=O)c3ccccc3)N2C",{"$nulls":4},"COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C","COC(=O)C1C2CCC(CC1OC(=O)c3ccccc3)N2C",null,"COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C","COC(=O)C1C2CCC(CC1OC(=O)c3ccccc3)N2C"]
[22,"50-44-2","Sc1ncnc2nc[nH]c12","Sc1c2c(ncn1)nc[nH]2","O(1)","S=c1nc[nH]c2nc[nH]c12","S=c1c2c([nH]cn1)nc[nH]2",{"$nulls":4},"S=c1[nH]cnc2[nH]cnc12","S=c1c2c(nc[nH]1)[nH]cn2"]
[23,"50-47-5","CNCCCN1c2ccccc2CCc2ccccc21","CNCCCN1c2c(CCc3c1cccc3)cccc2",null,"CNCCCN1c2ccccc2CCc2ccccc21","CNCCCN1c2c(CCc3c1cccc3)cccc2",null,"CNCCCN1c2ccccc2CCc2ccccc21","CNCCCN1c2c(CCc3c1cccc3)cccc2",null,"CNCCCN1c2ccccc2CCc2ccccc21","CNCCCN1c2c(CCc3c1cccc3)cccc2"]
[24,"50-48-6",{"$nulls":3},"CN(C)CCC=C1c2ccccc2CCc2ccccc21","CN(C)CCC=C1c2c(CCc3c1cccc3)cccc2",{"$nulls":4},"CN(C)CCC=C1c2ccccc2CCc2ccccc21","CN(C)CCC=C1c2c(CCc3c1cccc3)cccc2"]
[25,"50-49-7","CN(C)CCCN1c2ccccc2CCc2ccccc21","CN(C)CCCN1c2c(CCc3c1cccc3)cccc2",null,"CN(C)CCCN1c2ccccc2CCc2ccccc21","CN(C)CCCN1c2c(CCc3c1cccc3)cccc2",null,"CN(C)CCCN1c2ccccc2CCc2ccccc21","CN(C)CCCN1c2c(CCc3c1cccc3)cccc2",null,"CN(C)CCCN1c2ccccc2CCc2ccccc21","CN(C)CCCN1c2c(CCc3c1cccc3)cccc2"]
[26,"50-53-3","CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21","CN(C)CCCN1c2c(Sc3c1cccc3)ccc(Cl)c2",null,"CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21","CN(C)CCCN1c2c(Sc3c1cccc3)ccc(Cl)c2",null,"CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21","CN(C)CCCN1c2c(Sc3c1cccc3)ccc(Cl)c2",null,"CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21","CN(C)CCCN1c2c(Sc3c1cccc3)ccc(Cl)c2"]
[27,"50-55-5","COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC","COC(=O)C1C(C(CC2C1CC3N(CCc4c3[nH]c5c4ccc(c5)OC)C2)OC(=O)c6cc(c(c(c6)OC)OC)OC)OC",null,"COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC","COC(=O)C1C(C(CC2C1CC3N(CCc4c3[nH]c5c4ccc(c5)OC)C2)OC(=O)c6cc(c(c(c6)OC)OC)OC)OC",null,"COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC","COC(=O)C1C(C(CC2C1CC3N(CCc4c3[nH]c5c4ccc(c5)OC)C2)OC(=O)c6cc(c(c(c6)OC)OC)OC)OC",null,"COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC","COC(=O)C1C(C(CC2C1CC3N(CCc4c3[nH]c5c4ccc(c5)OC)C2)OC(=O)c6cc(c(c(c6)OC)OC)OC)OC"]
[28,"50-65-7","O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O",null,"O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O",null,"O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O",null,"O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O"]
[29,"50-67-9","NCCc1c[nH]c2ccc(O)cc12","NCCc1c2c([nH]c1)ccc(O)c2",null,"NCCc1c[nH]c2ccc(O)cc12","NCCc1c2c([nH]c1)ccc(O)c2",null,"NCCc1c[nH]c2ccc(O)cc12","NCCc1c2c([nH]c1)ccc(O)c2",null,"NCCc1c[nH]c2ccc(O)cc12","NCCc1c2c([nH]c1)ccc(O)c2"]
[30,"50-70-4","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",null,"OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",null,"OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",null,"OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO"]
[31,"50-78-2","CC(=O)Oc1ccccc1C(=O)O","CC(=O)Oc1c(cccc1)C(=O)O",null,"CC(=O)Oc1ccccc1C(=O)O","CC(=O)Oc1c(cccc1)C(=O)O",null,"CC(=O)Oc1ccccc1C(=O)O","CC(=O)Oc1c(cccc1)C(=O)O",null,"CC(=O)Oc1ccccc1C(=O)O","CC(=O)Oc1c(cccc1)C(=O)O"]
[32,"50-79-3","O=C(O)c1cc(Cl)ccc1Cl","O=C(O)c1c(ccc(c1)Cl)Cl",null,"O=C(O)c1cc(Cl)ccc1Cl","O=C(O)c1c(ccc(c1)Cl)Cl",null,"O=C(O)c1cc(Cl)ccc1Cl","O=C(O)c1c(ccc(c1)Cl)Cl",null,"O=C(O)c1cc(Cl)ccc1Cl","O=C(O)c1c(ccc(c1)Cl)Cl"]
[33,"50-81-7","O=C1C(O)=C(O)OC1C(O)CO","O=C1C(OC(=C1O)O)C(O)CO",null,"O=C1C(O)=C(O)OC1C(O)CO","O=C1C(OC(=C1O)O)C(O)CO",null,"O=C1OC(C(O)CO)C(O)=C1O","O=C1C(=C(C(O1)C(O)CO)O)O",null,"O=C1OC(C(O)CO)C(O)=C1O","O=C1C(=C(C(O1)C(O)CO)O)O"]
[34,"50-82-8","O=C(O)c1cc(Cl)c(Cl)cc1Cl","O=C(O)c1c(cc(c(c1)Cl)Cl)Cl",null,"O=C(O)c1cc(Cl)c(Cl)cc1Cl","O=C(O)c1c(cc(c(c1)Cl)Cl)Cl",null,"O=C(O)c1cc(Cl)c(Cl)cc1Cl","O=C(O)c1c(cc(c(c1)Cl)Cl)Cl",null,"O=C(O)c1cc(Cl)c(Cl)cc1Cl","O=C(O)c1c(cc(c(c1)Cl)Cl)Cl"]
[35,"50-84-0","O=C(O)c1ccc(Cl)cc1Cl","O=C(O)c1c(cc(cc1)Cl)Cl",null,"O=C(O)c1ccc(Cl)cc1Cl","O=C(O)c1c(cc(cc1)Cl)Cl",null,"O=C(O)c1ccc(Cl)cc1Cl","O=C(O)c1c(cc(cc1)Cl)Cl",null,"O=C(O)c1ccc(Cl)cc1Cl","O=C(O)c1c(cc(cc1)Cl)Cl"]
[36,"50-85-1","Cc1ccc(C(=O)O)c(O)c1","Cc1cc(c(cc1)C(=O)O)O",null,"Cc1ccc(C(=O)O)c(O)c1","Cc1cc(c(cc1)C(=O)O)O",null,"Cc1ccc(C(=O)O)c(O)c1","Cc1cc(c(cc1)C(=O)O)O",null,"Cc1ccc(C(=O)O)c(O)c1","Cc1cc(c(cc1)C(=O)O)O"]
[37,"50-99-7","O=CC(O)C(O)C(O)C(O)CO","O=CC(O)C(O)C(O)C(O)CO",null,"OCC1OC(O)C(O)C(O)C1O","OCC1C(C(C(C(O1)O)O)O)O",null,"O=CC(O)C(O)C(O)C(O)CO","O=CC(O)C(O)C(O)C(O)CO",null,"O=CC(O)C(O)C(O)C(O)CO","O=CC(O)C(O)C(O)C(O)CO"]
[38,"51-03-6","[O-]CCCCCc1ccc2c(c1)OCO2","OCCCCCc1cc2c(cc1)OCO2",null,"CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2","CCCCOCCOCCOCc1c(cc2c(c1)OCO2)CCC",null,"CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2","CCCCOCCOCCOCc1c(cc2c(c1)OCO2)CCC",null,"CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2","CCCCOCCOCCOCc1c(cc2c(c1)OCO2)CCC"]
[39,"51-17-2","c1ccc2[nH]cnc2c1","c1cc2c(cc1)[nH]cn2",null,"c1ccc2[nH]cnc2c1","c1cc2c(cc1)[nH]cn2",null,"c1ccc2[nH]cnc2c1","c1cc2c(cc1)[nH]cn2",null,"c1ccc2[nH]cnc2c1","c1cc2c(cc1)[nH]cn2"]
[40,"51-20-7","O=c1[nH]cc(Br)c(=O)[nH]1","O=c1[nH]c(c(c[nH]1)Br)=O",null,"O=c1[nH]cc(Br)c(=O)[nH]1","O=c1[nH]c(c(c[nH]1)Br)=O",null,"O=c1[nH]cc(Br)c(=O)[nH]1","O=c1[nH]c(c(c[nH]1)Br)=O",null,"O=c1[nH]cc(Br)c(=O)[nH]1","O=c1[nH]c(c(c[nH]1)Br)=O"]
[41,"51-21-8","O=c1[nH]cc(F)c(=O)[nH]1","O=c1[nH]c(c(c[nH]1)F)=O",null,"O=c1[nH]cc(F)c(=O)[nH]1","O=c1[nH]c(c(c[nH]1)F)=O",null,"O=c1[nH]cc(F)c(=O)[nH]1","O=c1[nH]c(c(c[nH]1)F)=O",null,"O=c1[nH]cc(F)c(=O)[nH]1","O=c1[nH]c(c(c[nH]1)F)=O"]
[42,"51-28-5","O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)O)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)O)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)O)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)O)[N+](=O)[O-]"]
[43,"51-34-3","CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12","CN1C2CC(CC1C3C2O3)OC(=O)C(CO)c4ccccc4",null,"CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12","CN1C2CC(CC1C3C2O3)OC(=O)C(CO)c4ccccc4",null,"CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12","CN1C2CC(CC1C3C2O3)OC(=O)C(CO)c4ccccc4",null,"CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12","CN1C2CC(CC1C3C2O3)OC(=O)C(CO)c4ccccc4"]
[44,"51-35-4","O=C(O)C1CC(O)CN1","O=C(O)C1NCC(C1)O",null,"O=C(O)C1CC(O)CN1","O=C(O)C1NCC(C1)O",{"$nulls":4},"O=C(O)C1CC(O)CN1","O=C(O)C1NCC(C1)O"]
[45,"51-36-5","O=C(O)c1cc(Cl)cc(Cl)c1","O=C(O)c1cc(cc(c1)Cl)Cl",null,"O=C(O)c1cc(Cl)cc(Cl)c1","O=C(O)c1cc(cc(c1)Cl)Cl",null,"O=C(O)c1cc(Cl)cc(Cl)c1","O=C(O)c1cc(cc(c1)Cl)Cl",null,"O=C(O)c1cc(Cl)cc(Cl)c1","O=C(O)c1cc(cc(c1)Cl)Cl"]
[46,"51-42-3","CNCC(O)c1ccc(O)c(O)c1","CNCC(O)c1cc(c(cc1)O)O","OC(C(O)C(O)=O)C(O)=O(1)","CNCC(O)c1ccc(O)c(O)c1","CNCC(O)c1cc(c(cc1)O)O","OC(C(O)C(O)=O)C(O)=O(1)",{"$nulls":3},"CNCC(O)c1ccc(O)c(O)c1","CNCC(O)c1cc(c(cc1)O)O","OC(C(O)C(O)=O)C(O)=O(1)"]
[47,"51-43-4","CNCC(O)c1ccc(O)c(O)c1","CNCC(O)c1cc(c(cc1)O)O",null,"CNCC(O)c1ccc(O)c(O)c1","CNCC(O)c1cc(c(cc1)O)O",null,"CNCC(O)c1ccc(O)c(O)c1","CNCC(O)c1cc(c(cc1)O)O",null,"CNCC(O)c1ccc(O)c(O)c1","CNCC(O)c1cc(c(cc1)O)O"]
[48,"51-44-5","O=C(O)c1ccc(Cl)c(Cl)c1","O=C(O)c1cc(c(cc1)Cl)Cl",null,"O=C(O)c1ccc(Cl)c(Cl)c1","O=C(O)c1cc(c(cc1)Cl)Cl",null,"O=C(O)c1ccc(Cl)c(Cl)c1","O=C(O)c1cc(c(cc1)Cl)Cl",null,"O=C(O)c1ccc(Cl)c(Cl)c1","O=C(O)c1cc(c(cc1)Cl)Cl"]
[49,"51-52-5","CCCn1c(=O)cc[nH]c1=S","CCCn1c([nH]ccc1=O)=S",null,"CCCc1cc(=O)[nH]c(=S)[nH]1","CCCc1[nH]c([nH]c(c1)=O)=S",null,"CCCc1cc(=O)[nH]c(=S)[nH]1","CCCc1[nH]c([nH]c(c1)=O)=S",null,"CCCc1cc(=O)[nH]c(=S)[nH]1","CCCc1[nH]c([nH]c(c1)=O)=S"]
[50,"51-55-8","CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3",null,"CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3",null,"CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3",null,"CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3"]
[51,"51-66-1","COc1ccc(NC(C)=O)cc1","COc1ccc(cc1)NC(C)=O",null,"COc1ccc(NC(C)=O)cc1","COc1ccc(cc1)NC(C)=O",null,"COc1ccc(NC(C)=O)cc1","COc1ccc(cc1)NC(C)=O",null,"COc1ccc(NC(C)=O)cc1","COc1ccc(cc1)NC(C)=O"]
[52,"51-67-2","NCCc1ccc(O)cc1","NCCc1ccc(cc1)O",null,"NCCc1ccc(O)cc1","NCCc1ccc(cc1)O",null,"NCCc1ccc(O)cc1","NCCc1ccc(cc1)O",null,"NCCc1ccc(O)cc1","NCCc1ccc(cc1)O"]
[53,"51-75-2","CN(CCCl)CCCl","CN(CCCl)CCCl",null,"CN(CCCl)CCCl","CN(CCCl)CCCl",null,"CN(CCCl)CCCl","CN(CCCl)CCCl",null,"CN(CCCl)CCCl","CN(CCCl)CCCl"]
[54,"51-79-6","CCOC(N)=O","CCOC(N)=O","CCOC(N)=O(1)","CCOC(N)=O","CCOC(N)=O",null,"CCOC(N)=O","CCOC(N)=O"]
[55,"51-98-9","C#CC1(OC(C)=O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)OC(C)=O",null,"C#CC1(OC(C)=O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)OC(C)=O",null,"C#CC1(OC(C)=O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)OC(C)=O",null,"C#CC1(OC(C)=O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)OC(C)=O"]
[56,"52-01-7","CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12","CC(=O)SC1C2C(C3(C(C1)=CC(=O)CC3)C)CCC4(C5(CCC42)OC(CC5)=O)C",null,"CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12","CC(=O)SC1C2C(C3(C(C1)=CC(=O)CC3)C)CCC4(C5(CCC42)OC(CC5)=O)C",null,"CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12","CC(=O)SC1C2C(C3(C(C1)=CC(=O)CC3)C)CCC4(C5(CCC42)OC(CC5)=O)C",null,"CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12","CC(=O)SC1C2C(C3(C(C1)=CC(=O)CC3)C)CCC4(C5(CCC42)OC(CC5)=O)C"]
[57,"52-21-1","CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O",null,"CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O",null,"CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O",null,"CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O"]
[58,"52-24-4","S=P(N1CC1)(N1CC1)N1CC1","S=P(N1CC1)(N2CC2)N3CC3",null,"S=P(N1CC1)(N1CC1)N1CC1","S=P(N1CC1)(N2CC2)N3CC3",null,"S=P(N1CC1)(N1CC1)N1CC1","S=P(N1CC1)(N2CC2)N3CC3",null,"S=P(N1CC1)(N1CC1)N1CC1","S=P(N1CC1)(N2CC2)N3CC3"]
[59,"52-31-3","CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCC2",null,"CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCC2",null,"CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCC2",null,"CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCC2"]
[60,"52-39-1","CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C=O)C(C(=O)CO)CC4",null,"CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C=O)C(C(=O)CO)CC4",null,"CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C=O)C(C(=O)CO)CC4",null,"CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C=O)C(C(=O)CO)CC4"]
[61,"52-43-7","C=CCC1(CC=C)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CC=C",null,"C=CCC1(CC=C)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CC=C",null,"C=CCC1(CC=C)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CC=C",null,"C=CCC1(CC=C)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CC=C"]
[62,"52-51-7","O=[N+]([O-])C(Br)(CO)CO","O=[N+]([O-])C(Br)(CO)CO",null,"O=[N+]([O-])C(Br)(CO)CO","O=[N+]([O-])C(Br)(CO)CO",null,"O=[N+]([O-])C(Br)(CO)CO","O=[N+]([O-])C(Br)(CO)CO",null,"O=[N+]([O-])C(Br)(CO)CO","O=[N+]([O-])C(Br)(CO)CO"]
[63,"52-52-8","NC1(C(=O)O)CCCC1","NC1(CCCC1)C(=O)O",null,"NC1(C(=O)O)CCCC1","NC1(CCCC1)C(=O)O",null,"NC1(C(=O)O)CCCC1","NC1(CCCC1)C(=O)O",null,"NC1(C(=O)O)CCCC1","NC1(CCCC1)C(=O)O"]
[64,"52-67-5",{"$nulls":3},"CC(C)(S)C(N)C(=O)O","CC(C)(S)C(N)C(=O)O",{"$nulls":4},"CC(C)(S)C(N)C(=O)O","CC(C)(S)C(N)C(=O)O"]
[65,"52-68-6","COP(=O)(OC)C(O)C(Cl)(Cl)Cl","COP(=O)(OC)C(O)C(Cl)(Cl)Cl",null,"COP(=O)(OC)C(O)C(Cl)(Cl)Cl","COP(=O)(OC)C(O)C(Cl)(Cl)Cl",null,"COP(=O)(OC)C(O)C(Cl)(Cl)Cl","COP(=O)(OC)C(O)C(Cl)(Cl)Cl"]
[66,"52-86-8","O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Cl)c3ccc(cc3)F",null,"O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Cl)c3ccc(cc3)F",null,"O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Cl)c3ccc(cc3)F",null,"O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Cl)c3ccc(cc3)F"]
[67,"52-90-4","NC(CS)C(=O)O","NC(CS)C(=O)O",null,"NC(CS)C(=O)O","NC(CS)C(=O)O",null,"NC(CS)C(=O)O","NC(CS)C(=O)O",null,"NC(CS)C(=O)O","NC(CS)C(=O)O"]
[68,"53-06-5","CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)=O)(C(CC4)(O)C(=O)CO)C",null,"CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)=O)(C(CC4)(O)C(=O)CO)C",null,"CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)=O)(C(CC4)(O)C(=O)CO)C",null,"CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)=O)(C(CC4)(O)C(=O)CO)C"]
[69,"53-16-7","CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2=O",null,"CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2=O",null,"CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2=O",null,"CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2=O"]
[70,"53-19-0","Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)Cl",null,"Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)Cl",null,"Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)Cl",null,"Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)Cl"]
[71,"53-41-8","CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O",null,"CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O",null,"CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O",null,"CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O"]
[72,"53-43-0","CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(=CC3)CC(O)CC4)C)CCC2=O",null,"CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(=CC3)CC(O)CC4)C)CCC2=O",null,"CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(=CC3)CC(O)CC4)C)CCC2=O",null,"CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(=CC3)CC(O)CC4)C)CCC2=O"]
[73,"53-70-3","c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12","c1cc2c(cc1)c3c(cc2)cc4c5c(ccc4c3)cccc5",null,"c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12","c1cc2c(cc1)c3c(cc2)cc4c5c(ccc4c3)cccc5",null,"c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12","c1cc2c(cc1)c3c(cc2)cc4c5c(ccc4c3)cccc5",null,"c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12","c1cc2c(cc1)c3c(cc2)cc4c5c(ccc4c3)cccc5"]
[74,"53-86-1","COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)c3ccc(cc3)Cl",null,"COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)c3ccc(cc3)Cl",null,"COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)c3ccc(cc3)Cl",null,"COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)c3ccc(cc3)Cl"]
[75,"54-11-5","CN1CCCC1c1cccnc1","CN1C(CCC1)c2cnccc2",null,"CN1CCCC1c1cccnc1","CN1C(CCC1)c2cnccc2",null,"CN1CCCC1c1cccnc1","CN1C(CCC1)c2cnccc2",null,"CN1CCCC1c1cccnc1","CN1C(CCC1)c2cnccc2"]
[76,"54-21-7","O=C([O-])c1ccccc1O","O=C(O)c1c(cccc1)O","[Na+](1)","O=C([O-])c1ccccc1O","O=C(O)c1c(cccc1)O","[Na+](1)","O=C([O-])c1ccccc1O","O=C(O)c1c(cccc1)O","[Na+](1)","O=C([O-])c1ccccc1O","O=C(O)c1c(cccc1)O","[Na+](1)"]
[77,"54-31-9","NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl","NS(=O)(=O)c1c(cc(c(c1)C(=O)O)NCc2occc2)Cl",null,"NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl","NS(=O)(=O)c1c(cc(c(c1)C(=O)O)NCc2occc2)Cl",null,"NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl","NS(=O)(=O)c1c(cc(c(c1)C(=O)O)NCc2occc2)Cl",null,"NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl","NS(=O)(=O)c1c(cc(c(c1)C(=O)O)NCc2occc2)Cl"]
[78,"54-42-2","O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1I","O=c1c(cn(c([nH]1)=O)C2OC(C(C2)O)CO)I",null,"O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1I","O=c1c(cn(c([nH]1)=O)C2OC(C(C2)O)CO)I",null,"O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1I","O=c1c(cn(c([nH]1)=O)C2OC(C(C2)O)CO)I",null,"O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1I","O=c1c(cn(c([nH]1)=O)C2OC(C(C2)O)CO)I"]
[79,"54-85-3","NNC(=O)c1ccncc1","NNC(=O)c1ccncc1",null,"NNC(=O)c1ccncc1","NNC(=O)c1ccncc1",null,"NNC(=O)c1ccncc1","NNC(=O)c1ccncc1",null,"NNC(=O)c1ccncc1","NNC(=O)c1ccncc1"]
[80,"55-18-5","CCN(CC)N=O","CCN(CC)N=O",null,"CCN(CC)N=O","CCN(CC)N=O",{"$nulls":4},"CCN(CC)N=O","CCN(CC)N=O"]
[81,"55-21-0","NC(=O)c1ccccc1","NC(=O)c1ccccc1",null,"NC(=O)c1ccccc1","NC(=O)c1ccccc1",null,"NC(=O)c1ccccc1","NC(=O)c1ccccc1",null,"NC(=O)c1ccccc1","NC(=O)c1ccccc1"]
[82,"55-22-1",null,null,"OC(=O)c1ccncc1(1)",null,null,"OC(=O)c1ccncc1(1)",null,null,"OC(=O)c1ccncc1(1)",null,null,"OC(=O)c1ccncc1(1)",null,"Organic counterion"]
[83,"55-38-9","COP(=S)(OC)Oc1ccc(SC)c(C)c1","COP(=S)(OC)Oc1cc(c(cc1)SC)C",null,"COP(=S)(OC)Oc1ccc(SC)c(C)c1","COP(=S)(OC)Oc1cc(c(cc1)SC)C",null,"COP(=S)(OC)Oc1ccc(SC)c(C)c1","COP(=S)(OC)Oc1cc(c(cc1)SC)C",null,"COP(=S)(OC)Oc1ccc(SC)c(C)c1","COP(=S)(OC)Oc1cc(c(cc1)SC)C"]
[84,"55-56-1","NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1)N=C(N)Nc1ccc(Cl)cc1","NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(cc1)Cl)N=C(N)Nc2ccc(cc2)Cl",null,"NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1)N=C(N)Nc1ccc(Cl)cc1","NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(cc1)Cl)N=C(N)Nc2ccc(cc2)Cl",null,"N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1","N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl)NC(=N)Nc2ccc(cc2)Cl",null,"N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1","N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl)NC(=N)Nc2ccc(cc2)Cl"]
[85,"55-63-0","OCC(O)CO","OCC(O)CO","O[N+]([O-])=O(3)","O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]","O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]",null,"O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]","O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]",null,"O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]","O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]"]
[86,"55-80-1","Cc1cccc(N=Nc2ccc(N(C)C)cc2)c1","Cc1cc(ccc1)N=Nc2ccc(cc2)N(C)C",null,"Cc1cccc(N=Nc2ccc(N(C)C)cc2)c1","Cc1cc(ccc1)N=Nc2ccc(cc2)N(C)C",null,"Cc1cccc(N=Nc2ccc(N(C)C)cc2)c1","Cc1cc(ccc1)N=Nc2ccc(cc2)N(C)C",null,"Cc1cccc(N=Nc2ccc(N(C)C)cc2)c1","Cc1cc(ccc1)N=Nc2ccc(cc2)N(C)C"]
[87,"55-91-4","CC(C)OP(=O)(F)OC(C)C","CC(C)OP(=O)(F)OC(C)C",null,"CC(C)OP(=O)(F)OC(C)C","CC(C)OP(=O)(F)OC(C)C",null,"CC(C)OP(=O)(F)OC(C)C","CC(C)OP(=O)(F)OC(C)C",null,"CC(C)OP(=O)(F)OC(C)C","CC(C)OP(=O)(F)OC(C)C"]
[88,"56-04-2","Cc1cc(=O)[nH]c(=S)[nH]1","Cc1[nH]c([nH]c(c1)=O)=S",null,"Cc1cc(=O)[nH]c(=S)[nH]1","Cc1[nH]c([nH]c(c1)=O)=S",null,"Cc1cc(=O)[nH]c(=S)[nH]1","Cc1[nH]c([nH]c(c1)=O)=S",null,"Cc1cc(=O)[nH]c(=S)[nH]1","Cc1[nH]c([nH]c(c1)=O)=S"]
[89,"56-12-2","NCCCC(=O)O","NCCCC(=O)O",null,"NCCCC(=O)O","NCCCC(=O)O",null,"NCCCC(=O)O","NCCCC(=O)O",null,"NCCCC(=O)O","NCCCC(=O)O"]
[90,"56-23-5","ClC(Cl)(Cl)Cl","ClC(Cl)(Cl)Cl",null,"ClC(Cl)(Cl)Cl","ClC(Cl)(Cl)Cl",null,"ClC(Cl)(Cl)Cl","ClC(Cl)(Cl)Cl",null,"ClC(Cl)(Cl)Cl","ClC(Cl)(Cl)Cl"]
[91,"56-25-7","CC12C(=O)OC(=O)C1(C)C1CCC2O1","CC12C(C(OC1=O)=O)(C)C3OC2CC3",null,"CC12C(=O)OC(=O)C1(C)C1CCC2O1","CC12C(C(OC1=O)=O)(C)C3OC2CC3",null,"CC12C(=O)OC(=O)C1(C)C1CCC2O1","CC12C(C(OC1=O)=O)(C)C3OC2CC3",null,"CC12C(=O)OC(=O)C1(C)C1CCC2O1","CC12C(C(OC1=O)=O)(C)C3OC2CC3"]
[92,"56-29-1",{"$nulls":3},"CN1C(=O)NC(=O)C(C)(C2=CCCCC2)C1=O","CN1C(C(C(NC1=O)=O)(C)C=2CCCCC2)=O",{"$nulls":4},"CN1C(=O)C(C)(C2=CCCCC2)C(=O)N=C1O","CN1C(=NC(C(C1=O)(C)C=2CCCCC2)=O)O"]
[93,"56-36-0","CCCC[Sn+](CCCC)CCCC","CCCC[Sn+](CCCC)CCCC","CC([O-])=O(1)",{"$nulls":3},"CCCC[Sn](CCCC)(CCCC)OC(C)=O","CCCC[Sn](CCCC)(CCCC)OC(C)=O",null,"CCCC[Sn](CCCC)(CCCC)OC(C)=O","CCCC[Sn](CCCC)(CCCC)OC(C)=O"]
[94,"56-38-2","CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1","CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-]",null,"CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1","CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-]",null,"CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1","CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-]",null,"CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1","CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-]"]
[95,"56-40-6","NCC(=O)O","NCC(=O)O",null,"NCC(=O)O","NCC(=O)O",null,"NCC(=O)O","NCC(=O)O",null,"NCC(=O)O","NCC(=O)O"]
[96,"56-41-7","CC(N)C(=O)O","CC(N)C(=O)O",null,"CC(N)C(=O)O","CC(N)C(=O)O",null,"CC(N)C(=O)O","CC(N)C(=O)O",null,"CC(N)C(=O)O","CC(N)C(=O)O"]
[97,"56-45-1","NC(CO)C(=O)O","NC(CO)C(=O)O",null,"NC(CO)C(=O)O","NC(CO)C(=O)O",null,"NC(CO)C(=O)O","NC(CO)C(=O)O",null,"NC(CO)C(=O)O","NC(CO)C(=O)O"]
[98,"56-47-3","CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CC(=O)OCC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",null,"CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CC(=O)OCC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",null,"CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CC(=O)OCC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",null,"CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CC(=O)OCC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C"]
[99,"56-49-5","Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3","Cc1c2c3c(cc1)cc4c5c(ccc4c3CC2)cccc5",null,"Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3","Cc1c2c3c(cc1)cc4c5c(ccc4c3CC2)cccc5",null,"Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3","Cc1c2c3c(cc1)cc4c5c(ccc4c3CC2)cccc5",null,"Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3","Cc1c2c3c(cc1)cc4c5c(ccc4c3CC2)cccc5"]
[100,"56-53-1","CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1","CCC(=C(CC)c1ccc(cc1)O)c2ccc(cc2)O",null,"CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1","CCC(=C(CC)c1ccc(cc1)O)c2ccc(cc2)O",null,"CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1","CCC(=C(CC)c1ccc(cc1)O)c2ccc(cc2)O",null,"CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1","CCC(=C(CC)c1ccc(cc1)O)c2ccc(cc2)O"]
[101,"56-54-2","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",null,"C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",null,"C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",null,"C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4"]
[102,"56-55-3","c1ccc2cc3c(ccc4ccccc43)cc2c1","c1cc2c(cc1)cc3c4c(ccc3c2)cccc4",null,"c1ccc2cc3c(ccc4ccccc43)cc2c1","c1cc2c(cc1)cc3c4c(ccc3c2)cccc4",null,"c1ccc2cc3c(ccc4ccccc43)cc2c1","c1cc2c(cc1)cc3c4c(ccc3c2)cccc4",null,"c1ccc2cc3c(ccc4ccccc43)cc2c1","c1cc2c(cc1)cc3c4c(ccc3c2)cccc4"]
[103,"56-65-5","Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O",null,"Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O",null,"Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O",null,"Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O"]
[104,"56-69-9","NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O","NC(Cc1c2c([nH]c1)ccc(O)c2)C(=O)O",null,"NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O","NC(Cc1c2c([nH]c1)ccc(O)c2)C(=O)O"]
[105,"56-72-4","CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1","CCOP(=S)(OCC)Oc1cc2c(cc1)c(C)c(Cl)c(=O)o2",null,"CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1","CCOP(=S)(OCC)Oc1cc2c(cc1)c(C)c(Cl)c(=O)o2",null,"CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1","CCOP(=S)(OCC)Oc1cc2c(cc1)c(C)c(Cl)c(=O)o2",null,"CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1","CCOP(=S)(OCC)Oc1cc2c(cc1)c(C)c(Cl)c(=O)o2"]
[106,"56-75-7","O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl","O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)Cl",null,"O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl","O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)Cl",null,"O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl","O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)Cl",null,"O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl","O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)Cl"]
[107,"56-81-5","OCC(O)CO","OCC(O)CO",null,"OCC(O)CO","OCC(O)CO",null,"OCC(O)CO","OCC(O)CO",null,"OCC(O)CO","OCC(O)CO"]
[108,"56-82-6",{"$nulls":3},"O=CC(O)CO","O=CC(O)CO",{"$nulls":4},"O=CC(O)CO","O=CC(O)CO"]
[109,"56-84-8","NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O",null,"NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O",null,"NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O",null,"NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O"]
[110,"56-85-9","NC(=O)CCC(N)C(=O)O","NC(=O)CCC(N)C(=O)O",null,"NC(=O)CCC(N)C(=O)O","NC(=O)CCC(N)C(=O)O",{"$nulls":4},"NC(=O)CCC(N)C(=O)O","NC(=O)CCC(N)C(=O)O"]
[111,"56-86-0","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",null,"NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",{"$nulls":4},"NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O"]
[112,"56-87-1","NCCCCC(N)C(=O)O","NCCCCC(N)C(=O)O",null,"NCCCCC(N)C(=O)O","NCCCCC(N)C(=O)O",null,"NCCCCC(N)C(=O)O","NCCCCC(N)C(=O)O",null,"NCCCCC(N)C(=O)O","NCCCCC(N)C(=O)O"]
[113,"56-89-3","NC(CSSCC(N)C(=O)O)C(=O)O","NC(CSSCC(N)C(=O)O)C(=O)O",null,"NC(CSSCC(N)C(=O)O)C(=O)O","NC(CSSCC(N)C(=O)O)C(=O)O",{"$nulls":4},"NC(CSSCC(N)C(=O)O)C(=O)O","NC(CSSCC(N)C(=O)O)C(=O)O"]
[114,"57-00-1","CN(CC(=O)O)C(=N)N","CN(CC(=O)O)C(=N)N",null,"CN(CC(=O)O)C(=N)N","CN(CC(=O)O)C(=N)N",null,"CN(CC(=O)O)C(=N)N","CN(CC(=O)O)C(=N)N",null,"CN(CC(=O)O)C(=N)N","CN(CC(=O)O)C(=N)N"]
[115,"57-03-4","O=P(O)(O)OCC(O)CO","O=P(O)(O)OCC(O)CO",null,"O=P(O)(O)OCC(O)CO","O=P(O)(O)OCC(O)CO",null,"O=P(O)(O)OCC(O)CO","O=P(O)(O)OCC(O)CO",null,"O=P(O)(O)OCC(O)CO","O=P(O)(O)OCC(O)CO"]
[116,"57-06-7","C=CCN=C=S","C=CCN=C=S",null,"C=CCN=C=S","C=CCN=C=S",null,"C=CCN=C=S","C=CCN=C=S",null,"C=CCN=C=S","C=CCN=C=S"]
[117,"57-10-3","CCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCC(=O)O",null,"CCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCC(=O)O",null,"CCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCC(=O)O",null,"CCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCC(=O)O"]
[118,"57-11-4","CCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCC(=O)O",null,"CCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCC(=O)O",null,"CCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCC(=O)O",null,"CCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCC(=O)O"]
[119,"57-13-6","NC(N)=O","NC(N)=O",null,"NC(N)=O","NC(N)=O",null,"NC(N)=O","NC(N)=O",null,"NC(N)=O","NC(N)=O"]
[120,"57-14-7","CN(C)N","CN(C)N",null,"CN(C)N","CN(C)N",null,"CN(C)N","CN(C)N",null,"CN(C)N","CN(C)N"]
[121,"57-15-8",{"$nulls":3},"CC(C)(O)C(Cl)(Cl)Cl","CC(C)(O)C(Cl)(Cl)Cl",null,"CC(C)(O)C(Cl)(Cl)Cl","CC(C)(O)C(Cl)(Cl)Cl",null,"CC(C)(O)C(Cl)(Cl)Cl","CC(C)(O)C(Cl)(Cl)Cl"]
[122,"57-24-9","O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46","O=C1N2c3c(C45CCN6CC7=CCOC(C1)C(C42)C7CC65)cccc3",null,"O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46","O=C1N2c3c(C45CCN6CC7=CCOC(C1)C(C42)C7CC65)cccc3",null,"O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46","O=C1N2c3c(C45CCN6CC7=CCOC(C1)C(C42)C7CC65)cccc3",null,"O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46","O=C1N2c3c(C45CCN6CC7=CCOC(C1)C(C42)C7CC65)cccc3"]
[123,"57-27-2","CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3",null,"CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","OS(O)(=O)=O(1), O(4)","CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3",null,"CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3"]
[124,"57-41-0","O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1","O=C1NC(C(N1)=O)(c2ccccc2)c3ccccc3",null,"O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1","O=C1NC(C(N1)=O)(c2ccccc2)c3ccccc3",null,"O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1","O=C1NC(C(N1)=O)(c2ccccc2)c3ccccc3",null,"O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1","O=C1NC(C(N1)=O)(c2ccccc2)c3ccccc3"]
[125,"57-42-1","CCOC(=O)C1(c2ccccc2)CCN(C)CC1","CCOC(=O)C1(CCN(CC1)C)c2ccccc2","[Cl-](1), [H+](1)","CCOC(=O)C1(c2ccccc2)CCN(C)CC1","CCOC(=O)C1(CCN(CC1)C)c2ccccc2",null,"CCOC(=O)C1(c2ccccc2)CCN(C)CC1","CCOC(=O)C1(CCN(CC1)C)c2ccccc2",null,"CCOC(=O)C1(c2ccccc2)CCN(C)CC1","CCOC(=O)C1(CCN(CC1)C)c2ccccc2"]
[126,"57-43-2","CCC1(CCC(C)C)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)CCC(C)C",null,"CCC1(CCC(C)C)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)CCC(C)C",null,"CCC1(CCC(C)C)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)CCC(C)C",null,"CCC1(CCC(C)C)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)CCC(C)C"]
[127,"57-44-3","CCC1(CC)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)CC",null,"CCC1(CC)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)CC",null,"CCC1(CC)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)CC",null,"CCC1(CC)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)CC"]
[128,"57-48-7","O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO",null,"O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO",null,"OCC1OC(O)(CO)C(O)C1O","OCC1C(C(C(O1)(O)CO)O)O",null,"OCC1OC(O)(CO)C(O)C1O","OCC1C(C(C(O1)(O)CO)O)O"]
[129,"57-50-1","OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O",null,"OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O",null,"OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O",null,"OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O"]
[130,"57-53-4","CCCC(C)(COC(N)=O)COC(N)=O","CCCC(C)(COC(N)=O)COC(N)=O",null,"CCCC(C)(COC(N)=O)COC(N)=O","CCCC(C)(COC(N)=O)COC(N)=O",null,"CCCC(C)(COC(N)=O)COC(N)=O","CCCC(C)(COC(N)=O)COC(N)=O",null,"CCCC(C)(COC(N)=O)COC(N)=O","CCCC(C)(COC(N)=O)COC(N)=O"]
[131,"57-55-6","CC(O)CO","CC(O)CO",null,"CC(O)CO","CC(O)CO",null,"CC(O)CO","CC(O)CO",null,"CC(O)CO","CC(O)CO"]
[132,"57-57-8","O=C1CCO1","O=C1OCC1",null,"O=C1CCO1","O=C1OCC1",null,"O=C1CCO1","O=C1OCC1",null,"O=C1CCO1","O=C1OCC1"]
[133,"57-62-5","CN(C)C1C(=O)C(=C(N)O)C(=O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4Cl)(C)O)C2","[Cl-](1), [H+](1)","CN(C)C1C(=O)C(=C(N)O)C(=O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4Cl)(C)O)C2","[Cl-](1), [H+](1)","CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12","CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4Cl)(C)O)C2",null,"CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12","CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4Cl)(C)O)C2"]
[134,"57-63-6","C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C","C#CC1(C2(C(CC1)C3C(c4c(CC3)cc(O)cc4)CC2)C)O",null,"C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C","C#CC1(C2(C(CC1)C3C(c4c(CC3)cc(O)cc4)CC2)C)O",null,"C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C","C#CC1(C2(C(CC1)C3C(c4c(CC3)cc(O)cc4)CC2)C)O",null,"C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C","C#CC1(C2(C(CC1)C3C(c4c(CC3)cc(O)cc4)CC2)C)O"]
[135,"57-67-0",{"$nulls":3},"NC(N)=NS(=O)(=O)c1ccc(N)cc1","NC(N)=NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},"N=C(N)NS(=O)(=O)c1ccc(N)cc1","N=C(N)NS(=O)(=O)c1ccc(cc1)N"]
[136,"57-68-1","Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(nc(c1)C)NS(=O)(=O)c2ccc(cc2)N",null,"Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(nc(c1)C)NS(=O)(=O)c2ccc(cc2)N",null,"Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(nc(c1)C)NS(=O)(=O)c2ccc(cc2)N",null,"Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(nc(c1)C)NS(=O)(=O)c2ccc(cc2)N"]
[137,"57-74-9","ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl",null,"ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl",null,"ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl",null,"ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl"]
[138,"57-83-0","CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",null,"CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",null,"CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",null,"CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C"]
[139,"57-85-2","CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CCC(=O)OC1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",null,"CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CCC(=O)OC1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",null,"CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CCC(=O)OC1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",null,"CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CCC(=O)OC1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C"]
[140,"57-88-5","CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C","CC(C)CCCC(C)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C",null,"CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C","CC(C)CCCC(C)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C",{"$nulls":4},"CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C","CC(C)CCCC(C)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C"]
[141,"57-91-0",{"$nulls":3},"CC12CCC3c4ccc(O)cc4CCC3C1CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O",null,"CC12CCC3c4ccc(O)cc4CCC3C1CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O",null,"CC12CCC3c4ccc(O)cc4CCC3C1CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O"]
[142,"57-97-6",{"$nulls":3},"Cc1c2ccccc2c(C)c2c1ccc1ccccc12","Cc1c2c(c(c3c1cccc3)C)c4c(cc2)cccc4",{"$nulls":4},"Cc1c2ccccc2c(C)c2c1ccc1ccccc12","Cc1c2c(c(c3c1cccc3)C)c4c(cc2)cccc4"]
[143,"58-00-4","CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3","CN1C2c3c(CC1)cccc3-c4c(C2)ccc(O)c4O",{"$nulls":7},"CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3","CN1C2c3c(CC1)cccc3-c4c(C2)ccc(O)c4O"]
[144,"58-08-2","Cn1c(=O)c2c(ncn2C)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)C)C)=O",null,"Cn1c(=O)c2c(ncn2C)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)C)C)=O",null,"Cn1c(=O)c2c(ncn2C)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)C)C)=O",null,"Cn1c(=O)c2c(ncn2C)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)C)C)=O"]
[145,"58-15-1","Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1N(C)C)=O)-c2ccccc2)C",null,"Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1N(C)C)=O)-c2ccccc2)C",null,"Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1N(C)C)=O)-c2ccccc2)C",null,"Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1N(C)C)=O)-c2ccccc2)C"]
[146,"58-18-4",{"$nulls":3},"CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(C)O","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C(CC4)(C)O)C",{"$nulls":4},"CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(C)O","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C(CC4)(C)O)C"]
[147,"58-22-0","CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(O)CC4",null,"CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(O)CC4",null,"CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(O)CC4",null,"CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(O)CC4"]
[148,"58-25-3","CN=C1CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1","CN=C1N=c2c(=C(N(C1)O)c3ccccc3)cc(Cl)cc2","[Cl-](1), [H+](1)","CN=C1CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1","CN=C1N=c2c(=C(N(C1)O)c3ccccc3)cc(Cl)cc2",null,"CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1","CNC=1C[N+](=C(c2c(N1)ccc(Cl)c2)c3ccccc3)[O-]","Cl(1)","CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1","CNC=1C[N+](=C(c2c(N1)ccc(Cl)c2)c3ccccc3)[O-]"]
[149,"58-27-5","CC1=CC(=O)c2ccccc2C1=O","CC=1C(c2c(C(C1)=O)cccc2)=O",null,"CC1=CC(=O)c2ccccc2C1=O","CC=1C(c2c(C(C1)=O)cccc2)=O",null,"CC1=CC(=O)c2ccccc2C1=O","CC=1C(c2c(C(C1)=O)cccc2)=O",null,"CC1=CC(=O)c2ccccc2C1=O","CC=1C(c2c(C(C1)=O)cccc2)=O"]
[150,"58-38-8",{"$nulls":3},"CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1","CN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",{"$nulls":4},"CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1","CN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3"]
[151,"58-39-9","OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",null,"OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",null,"OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",null,"OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3"]
[152,"58-40-2","CN(C)CCCN1c2ccccc2Sc2ccccc21","CN(C)CCCN1c2c(Sc3c1cccc3)cccc2",null,"CN(C)CCCN1c2ccccc2Sc2ccccc21","CN(C)CCCN1c2c(Sc3c1cccc3)cccc2",null,"CN(C)CCCN1c2ccccc2Sc2ccccc21","CN(C)CCCN1c2c(Sc3c1cccc3)cccc2",null,"CN(C)CCCN1c2ccccc2Sc2ccccc21","CN(C)CCCN1c2c(Sc3c1cccc3)cccc2"]
[153,"58-55-9","Cn1c(=O)c2[nH]cnc2n(C)c1=O","Cn1c(n(c2c(c1=O)[nH]cn2)C)=O",null,"Cn1c(=O)c2[nH]cnc2n(C)c1=O","Cn1c(n(c2c(c1=O)[nH]cn2)C)=O",null,"Cn1c(=O)c2[nH]cnc2n(C)c1=O","Cn1c(n(c2c(c1=O)[nH]cn2)C)=O",null,"Cn1c(=O)c2[nH]cnc2n(C)c1=O","Cn1c(n(c2c(c1=O)[nH]cn2)C)=O"]
[154,"58-56-0","Cc1ncc(CO)c(CO)c1O","Cc1c(c(c(cn1)CO)CO)O","[Cl-](1), [H+](1)","Cc1ncc(CO)c(CO)c1O","Cc1c(c(c(cn1)CO)CO)O","[Cl-](1), [H+](1)","Cc1ncc(CO)c(CO)c1O","Cc1c(c(c(cn1)CO)CO)O","Cl(1)","Cc1ncc(CO)c(CO)c1O","Cc1c(c(c(cn1)CO)CO)O","Cl(1)"]
[155,"58-63-9","OCC1OC(n2cnc3c(O)ncnc32)C(O)C1O","OCC1C(C(C(O1)n2c3c(nc2)c(O)ncn3)O)O",null,"O=c1nc[nH]c2c1ncn2C1OC(CO)C(O)C1O","O=c1c2c([nH]cn1)n(cn2)C3C(C(C(O3)CO)O)O",null,"OCC1OC(n2cnc3c(O)ncnc32)C(O)C1O","OCC1C(C(C(O1)n2c3c(nc2)c(O)ncn3)O)O",null,"OCC1OC(n2cnc3c(O)ncnc32)C(O)C1O","OCC1C(C(C(O1)n2c3c(nc2)c(O)ncn3)O)O"]
[156,"58-73-1","CN(C)CCOC(c1ccccc1)c1ccccc1","CN(C)CCOC(c1ccccc1)c2ccccc2",null,"CN(C)CCOC(c1ccccc1)c1ccccc1","CN(C)CCOC(c1ccccc1)c2ccccc2",null,"CN(C)CCOC(c1ccccc1)c1ccccc1","CN(C)CCOC(c1ccccc1)c2ccccc2",null,"CN(C)CCOC(c1ccccc1)c1ccccc1","CN(C)CCOC(c1ccccc1)c2ccccc2"]
[157,"58-74-2","COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC","COc1c(cc(cc1)Cc2c3c(ccn2)cc(OC)c(OC)c3)OC",null,"COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC","COc1c(cc(cc1)Cc2c3c(ccn2)cc(OC)c(OC)c3)OC",null,"COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC","COc1c(cc(cc1)Cc2c3c(ccn2)cc(OC)c(OC)c3)OC",null,"COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC","COc1c(cc(cc1)Cc2c3c(ccn2)cc(OC)c(OC)c3)OC"]
[158,"58-86-6","O=CC(O)C(O)C(O)CO","O=CC(O)C(O)C(O)CO",null,"OC1COC(O)C(O)C1O","OC1C(C(C(OC1)O)O)O",null,"OC1COC(O)C(O)C1O","OC1C(C(C(OC1)O)O)O",null,"OC1COC(O)C(O)C1O","OC1C(C(C(OC1)O)O)O"]
[159,"58-89-9","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",null,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",null,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",null,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl"]
[160,"58-90-2","Oc1c(Cl)cc(Cl)c(Cl)c1Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cl",null,"Oc1c(Cl)cc(Cl)c(Cl)c1Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cl",null,"Oc1c(Cl)cc(Cl)c(Cl)c1Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cl",null,"Oc1c(Cl)cc(Cl)c(Cl)c1Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cl"]
[161,"58-93-5","NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)Cl",null,"NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)Cl",null,"NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)Cl",null,"NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)Cl"]
[162,"58-94-6","NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)Cl",null,"NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)Cl",null,"NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NC=N2)(=O)=O)Cl",null,"NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NC=N2)(=O)=O)Cl"]
[163,"59-23-4","O=CC(O)C(O)C(O)C(O)CO","O=CC(O)C(O)C(O)C(O)CO",null,"OCC1OC(O)C(O)C(O)C1O","OCC1C(C(C(C(O1)O)O)O)O",null,"OCC1OC(O)C(O)C(O)C1O","OCC1C(C(C(C(O1)O)O)O)O",null,"OCC1OC(O)C(O)C(O)C1O","OCC1C(C(C(C(O1)O)O)O)O"]
[164,"59-26-7","CCN(CC)C(=O)c1cccnc1","CCN(CC)C(=O)c1cnccc1",null,"CCN(CC)C(=O)c1cccnc1","CCN(CC)C(=O)c1cnccc1",null,"CCN(CC)C(=O)c1cccnc1","CCN(CC)C(=O)c1cnccc1",null,"CCN(CC)C(=O)c1cccnc1","CCN(CC)C(=O)c1cnccc1"]
[165,"59-31-4","O=c1ccc2ccccc2[nH]1","O=c1[nH]c2c(cc1)cccc2",null,"O=c1ccc2ccccc2[nH]1","O=c1[nH]c2c(cc1)cccc2",{"$nulls":4},"O=c1ccc2ccccc2[nH]1","O=c1[nH]c2c(cc1)cccc2"]
[166,"59-40-5","Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nc3c(nc2)cccc3",null,"Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nc3c(nc2)cccc3",null,"Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nc3c(nc2)cccc3",null,"Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nc3c(nc2)cccc3"]
[167,"59-43-8","Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1","Cc1nc(c(cn1)C[n+]2c(c(sc2)CCO)C)N","[Cl-](1)","Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1","Cc1nc(c(cn1)C[n+]2c(c(sc2)CCO)C)N","[Cl-](1)","Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1","Cc1nc(c(cn1)C[n+]2c(c(sc2)CCO)C)N","[Cl-](1)","Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1","Cc1nc(c(cn1)C[n+]2c(c(sc2)CCO)C)N","[Cl-](1)"]
[168,"59-46-1","CCN(CC)CCOC(=O)c1ccc(N)cc1","CCN(CC)CCOC(=O)c1ccc(cc1)N",null,"CCN(CC)CCOC(=O)c1ccc(N)cc1","CCN(CC)CCOC(=O)c1ccc(cc1)N",null,"CCN(CC)CCOC(=O)c1ccc(N)cc1","CCN(CC)CCOC(=O)c1ccc(cc1)N",null,"CCN(CC)CCOC(=O)c1ccc(N)cc1","CCN(CC)CCOC(=O)c1ccc(cc1)N"]
[169,"59-47-2",{"$nulls":3},"Cc1ccccc1OCC(O)CO","Cc1c(cccc1)OCC(O)CO",{"$nulls":4},"Cc1ccccc1OCC(O)CO","Cc1c(cccc1)OCC(O)CO"]
[170,"59-50-7","Cc1cc(O)ccc1Cl","Cc1c(ccc(c1)O)Cl",null,"Cc1cc(O)ccc1Cl","Cc1c(ccc(c1)O)Cl",null,"Cc1cc(O)ccc1Cl","Cc1c(ccc(c1)O)Cl",null,"Cc1cc(O)ccc1Cl","Cc1c(ccc(c1)O)Cl"]
[171,"59-51-8","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O",null,"CSCCC(N)C(=O)O","CSCCC(N)C(=O)O",null,"CSCCC(N)C(=O)O","CSCCC(N)C(=O)O",null,"CSCCC(N)C(=O)O","CSCCC(N)C(=O)O"]
[172,"59-52-9","OCC(S)CS","OCC(S)CS",null,"OCC(S)CS","OCC(S)CS",null,"OCC(S)CS","OCC(S)CS",null,"OCC(S)CS","OCC(S)CS"]
[173,"59-56-3",{"$nulls":3},"O=P(O)(O)OC1OC(CO)C(O)C(O)C1O","O=P(O)(O)OC1C(C(C(C(O1)CO)O)O)O",{"$nulls":4},"O=P(O)(O)OC1OC(CO)C(O)C(O)C1O","O=P(O)(O)OC1C(C(C(C(O1)CO)O)O)O"]
[174,"59-66-5","CC(=O)Nc1nnc(S(N)(=O)=O)s1","CC(=O)Nc1sc(nn1)S(N)(=O)=O",null,"CC(=O)Nc1nnc(S(N)(=O)=O)s1","CC(=O)Nc1sc(nn1)S(N)(=O)=O",{"$nulls":4},"CC(=O)Nc1nnc(S(N)(=O)=O)s1","CC(=O)Nc1sc(nn1)S(N)(=O)=O"]
[175,"59-67-6",null,null,"OC(=O)c1cccnc1(1)",null,null,"OC(=O)c1cccnc1(1)",null,null,"OC(=O)c1cccnc1(1)",null,null,"OC(=O)c1cccnc1(1)",null,"Organic counterion"]
[176,"59-89-2","O=NN1CCOCC1","O=NN1CCOCC1",null,"O=NN1CCOCC1","O=NN1CCOCC1",null,"O=NN1CCOCC1","O=NN1CCOCC1",null,"O=NN1CCOCC1","O=NN1CCOCC1"]
[177,"59-92-7","NC(Cc1ccc(O)c(O)c1)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O",null,"NC(Cc1ccc(O)c(O)c1)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O",null,"NC(Cc1ccc(O)c(O)c1)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O",null,"NC(Cc1ccc(O)c(O)c1)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O"]
[178,"60-00-4","NCCN","NCCN","CC(O)=O(4)","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O",null,"O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O",null,"O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O"]
[179,"60-01-5","CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC","CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC",null,"CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC","CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC",null,"CCCC(=O)OC(OC(=O)CCC)OC(=O)CCC","CCCC(=O)OC(OC(=O)CCC)OC(=O)CCC",null,"CCCC(=O)OC(OC(=O)CCC)OC(=O)CCC","CCCC(=O)OC(OC(=O)CCC)OC(=O)CCC"]
[180,"60-09-3","Nc1ccc(N=Nc2ccccc2)cc1","Nc1ccc(cc1)N=Nc2ccccc2",null,"Nc1ccc(N=Nc2ccccc2)cc1","Nc1ccc(cc1)N=Nc2ccccc2",null,"Nc1ccc(N=Nc2ccccc2)cc1","Nc1ccc(cc1)N=Nc2ccccc2",null,"Nc1ccc(N=Nc2ccccc2)cc1","Nc1ccc(cc1)N=Nc2ccccc2"]
[181,"60-11-7","CN(C)c1ccc(N=Nc2ccccc2)cc1","CN(C)c1ccc(cc1)N=Nc2ccccc2",null,"CN(C)c1ccc(N=Nc2ccccc2)cc1","CN(C)c1ccc(cc1)N=Nc2ccccc2",null,"CN(C)c1ccc(N=Nc2ccccc2)cc1","CN(C)c1ccc(cc1)N=Nc2ccccc2",null,"CN(C)c1ccc(N=Nc2ccccc2)cc1","CN(C)c1ccc(cc1)N=Nc2ccccc2"]
[182,"60-12-8","OCCc1ccccc1","OCCc1ccccc1",null,"OCCc1ccccc1","OCCc1ccccc1",null,"OCCc1ccccc1","OCCc1ccccc1",null,"OCCc1ccccc1","OCCc1ccccc1"]
[183,"60-18-4","NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",null,"NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",{"$nulls":4},"NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O"]
[184,"60-24-2","OCCS","OCCS",null,"OCCS","OCCS",null,"OCCS","OCCS",null,"OCCS","OCCS"]
[185,"60-27-5","CN1CC(=O)N=C1N","CN1C(=NC(C1)=O)N",null,"CN1CC(=O)N=C1N","CN1C(=NC(C1)=O)N",null,"CN1CC(=O)NC1=N","CN1C(NC(C1)=O)=N",null,"CN1CC(=O)NC1=N","CN1C(NC(C1)=O)=N"]
[186,"60-29-7","CCOCC","CCOCC",null,"CCOCC","CCOCC",null,"CCOCC","CCOCC",null,"CCOCC","CCOCC"]
[187,"60-32-2","NCCCCCC(=O)O","NCCCCCC(=O)O",null,"NCCCCCC(=O)O","NCCCCCC(=O)O",null,"NCCCCCC(=O)O","NCCCCCC(=O)O",null,"NCCCCCC(=O)O","NCCCCCC(=O)O"]
[188,"60-34-4","CNN","CNN",null,"CNN","CNN",null,"CNN","CNN",null,"CNN","CNN"]
[189,"60-35-5","CC(N)=O","CC(N)=O",null,"CC(N)=O","CC(N)=O",null,"CC(N)=O","CC(N)=O",null,"CC(N)=O","CC(N)=O"]
[190,"60-51-5","CNC(=O)CSP(=S)(OC)OC","CNC(=O)CSP(=S)(OC)OC",null,"CNC(=O)CSP(=S)(OC)OC","CNC(=O)CSP(=S)(OC)OC",null,"CNC(=O)CSP(=S)(OC)OC","CNC(=O)CSP(=S)(OC)OC",null,"CNC(=O)CSP(=S)(OC)OC","CNC(=O)CSP(=S)(OC)OC"]
[191,"60-54-8","CN(C)C1C(=O)C(=C(N)O)C(=O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3CC12","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4)(C)O)C2",null,"CN(C)C1C(=O)C(=C(N)O)C(=O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3CC12","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4)(C)O)C2",null,"CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12","CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4)(C)O)C2",null,"CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12","CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4)(C)O)C2"]
[192,"60-57-1","ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl",null,"ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl",null,"ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl",null,"ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl"]
[193,"60-80-0","Cc1cc(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1)=O)-c2ccccc2)C",null,"Cc1cc(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1)=O)-c2ccccc2)C",null,"Cc1cc(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1)=O)-c2ccccc2)C",null,"Cc1cc(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1)=O)-c2ccccc2)C"]
[194,"60-82-2","O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O","O=C(CCc1ccc(cc1)O)c2c(cc(cc2O)O)O",null,"O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O","O=C(CCc1ccc(cc1)O)c2c(cc(cc2O)O)O",null,"O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O","O=C(CCc1ccc(cc1)O)c2c(cc(cc2O)O)O",null,"O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O","O=C(CCc1ccc(cc1)O)c2c(cc(cc2O)O)O"]
[195,"60-87-7","CC(CN1c2ccccc2Sc2ccccc21)N(C)C","CC(CN1c2c(Sc3c1cccc3)cccc2)N(C)C",null,"CC(CN1c2ccccc2Sc2ccccc21)N(C)C","CC(CN1c2c(Sc3c1cccc3)cccc2)N(C)C",null,"CC(CN1c2ccccc2Sc2ccccc21)N(C)C","CC(CN1c2c(Sc3c1cccc3)cccc2)N(C)C",null,"CC(CN1c2ccccc2Sc2ccccc21)N(C)C","CC(CN1c2c(Sc3c1cccc3)cccc2)N(C)C"]
[196,"60-89-9","CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1","CN1CC(CCC1)CN2c3c(Sc4c2cccc4)cccc3",null,"CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1","CN1CC(CCC1)CN2c3c(Sc4c2cccc4)cccc3","[Cl-](1), [H+](1)",{"$nulls":3},"CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1","CN1CC(CCC1)CN2c3c(Sc4c2cccc4)cccc3"]
[197,"60-99-1","COc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2","COc1cc2c(cc1)Sc3c(N2CC(C)CN(C)C)cccc3",null,"COc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2","COc1cc2c(cc1)Sc3c(N2CC(C)CN(C)C)cccc3",null,"COc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2","COc1cc2c(cc1)Sc3c(N2CC(C)CN(C)C)cccc3",null,"COc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2","COc1cc2c(cc1)Sc3c(N2CC(C)CN(C)C)cccc3"]
[198,"61-19-8","Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O",null,"Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O",null,"Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O",null,"Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O"]
[199,"61-57-4","O=C1NCCN1c1ncc([N+](=O)[O-])s1","O=C1N(CCN1)c2sc(cn2)[N+](=O)[O-]",null,"O=C1NCCN1c1ncc([N+](=O)[O-])s1","O=C1N(CCN1)c2sc(cn2)[N+](=O)[O-]",null,"O=C1NCCN1c1ncc([N+](=O)[O-])s1","O=C1N(CCN1)c2sc(cn2)[N+](=O)[O-]",null,"O=C1NCCN1c1ncc([N+](=O)[O-])s1","O=C1N(CCN1)c2sc(cn2)[N+](=O)[O-]"]
[200,"61-68-7","Cc1cccc(Nc2ccccc2C(=O)O)c1C","Cc1c(c(ccc1)Nc2c(cccc2)C(=O)O)C",null,"Cc1cccc(Nc2ccccc2C(=O)O)c1C","Cc1c(c(ccc1)Nc2c(cccc2)C(=O)O)C",null,"Cc1cccc(Nc2ccccc2C(=O)O)c1C","Cc1c(c(ccc1)Nc2c(cccc2)C(=O)O)C",null,"Cc1cccc(Nc2ccccc2C(=O)O)c1C","Cc1c(c(ccc1)Nc2c(cccc2)C(=O)O)C"]
[201,"61-73-4","CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1","CN(C)c1cc2c(cc1)nc3c(cc(cc3)N(C)C)[s+]2","[Cl-](1)","CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1","CN(C)c1cc2c(cc1)nc3c(cc(cc3)N(C)C)[s+]2","[Cl-](1)","CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1","CN(C)c1cc2c(cc1)nc3c(cc(cc3)N(C)C)[s+]2","[Cl-](1)","CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1","CN(C)c1cc2c(cc1)nc3c(cc(cc3)N(C)C)[s+]2","[Cl-](1)"]
[202,"61-82-5","Nc1ncn[nH]1","Nc1[nH]ncn1",null,"Nc1ncn[nH]1","Nc1[nH]ncn1",null,"Nc1nc[nH]n1","Nc1n[nH]cn1"]
[203,"61-90-5","CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O",null,"CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O",null,"CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O",null,"CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O"]
[204,"62-23-7","O=C(O)c1ccc([N+](=O)[O-])cc1","O=C(O)c1ccc(cc1)[N+](=O)[O-]",null,"O=C(O)c1ccc([N+](=O)[O-])cc1","O=C(O)c1ccc(cc1)[N+](=O)[O-]",null,"O=C(O)c1ccc([N+](=O)[O-])cc1","O=C(O)c1ccc(cc1)[N+](=O)[O-]",null,"O=C(O)c1ccc([N+](=O)[O-])cc1","O=C(O)c1ccc(cc1)[N+](=O)[O-]"]
[205,"62-37-3","COC(C[Hg+])CNC(N)=O","COC(C[Hg+])CNC(N)=O","[Cl-](1)","COC(C[Hg+])CNC(N)=O","COC(C[Hg+])CNC(N)=O","[Cl-](1)"]
[206,"62-38-4","CC(=O)O[Hg]c1ccccc1","CC(=O)O[Hg]c1ccccc1",null,"CC(=O)O[Hg]c1ccccc1","CC(=O)O[Hg]c1ccccc1",null,"CC(=O)O[Hg]c1ccccc1","CC(=O)O[Hg]c1ccccc1",null,"CC(=O)O[Hg]c1ccccc1","CC(=O)O[Hg]c1ccccc1"]
[207,"62-44-2",{"$nulls":3},"CCOc1ccc(NC(C)=O)cc1","CCOc1ccc(cc1)NC(C)=O",null,"CCOc1ccc(NC(C)=O)cc1","CCOc1ccc(cc1)NC(C)=O",null,"CCOc1ccc(NC(C)=O)cc1","CCOc1ccc(cc1)NC(C)=O"]
[208,"62-53-3","Nc1ccccc1","Nc1ccccc1",null,"Nc1ccccc1","Nc1ccccc1",null,"Nc1ccccc1","Nc1ccccc1",null,"Nc1ccccc1","Nc1ccccc1"]
[209,"62-55-5","CC(N)=S","CC(N)=S",null,"CC(N)=S","CC(N)=S",null,"CC(N)=S","CC(N)=S",null,"CC(N)=S","CC(N)=S"]
[210,"62-56-6","NC(N)=S","NC(N)=S",null,"NC(N)=S","NC(N)=S",null,"NC(N)=S","NC(N)=S",null,"NC(N)=S","NC(N)=S"]
[211,"62-57-7","CC(C)(N)C(=O)O","CC(C)(N)C(=O)O",null,"CC(C)(N)C(=O)O","CC(C)(N)C(=O)O",null,"CC(C)(N)C(=O)O","CC(C)(N)C(=O)O",null,"CC(C)(N)C(=O)O","CC(C)(N)C(=O)O"]
[212,"62-59-9","CC=C(C)C(=O)OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(C)O)C5(O)CC42OC13O","CC=C(C)C(=O)OC1C2(C3C(CC1)(C4(C(CC3)C5(C(C6C(C(C5)O)(C(C7N(C6)CC(C)CC7)(C)O)O)(O)C4)O)O2)C)O",null,"CC=C(C)C(=O)OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(C)O)C5(O)CC42OC13O","CC=C(C)C(=O)OC1C2(C3C(CC1)(C4(C(CC3)C5(C(C6C(C(C5)O)(C(C7N(C6)CC(C)CC7)(C)O)O)(O)C4)O)O2)C)O",null,"CC=C(C)C(=O)OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(C)O)C5(O)CC42OC13O","CC=C(C)C(=O)OC1C2(C3C(CC1)(C4(C(CC3)C5(C(C6C(C(C5)O)(C(C7N(C6)CC(C)CC7)(C)O)O)(O)C4)O)O2)C)O",null,"CC=C(C)C(=O)OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(C)O)C5(O)CC42OC13O","CC=C(C)C(=O)OC1C2(C3C(CC1)(C4(C(CC3)C5(C(C6C(C(C5)O)(C(C7N(C6)CC(C)CC7)(C)O)O)(O)C4)O)O2)C)O"]
[213,"62-73-7","COP(=O)(OC)OC=C(Cl)Cl","COP(=O)(OC)OC=C(Cl)Cl",null,"COP(=O)(OC)OC=C(Cl)Cl","COP(=O)(OC)OC=C(Cl)Cl",null,"COP(=O)(OC)OC=C(Cl)Cl","COP(=O)(OC)OC=C(Cl)Cl"]
[214,"62-74-8","O=C([O-])CF","O=C(O)CF","[Na+](1)","O=C([O-])CF","O=C(O)CF","[Na+](1)","O=C([O-])CF","O=C(O)CF","[Na+](1)","O=C([O-])CF","O=C(O)CF","[Na+](1)"]
[215,"62-75-9","CN(C)N=O","CN(C)N=O",null,"CN(C)N=O","CN(C)N=O",null,"CN(C)N=O","CN(C)N=O",null,"CN(C)N=O","CN(C)N=O"]
[216,"63-05-8","CC12CCC3C(CCC4=CC(=O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)=CC(=O)CC4)C)CCC2=O",null,"CC12CCC3C(CCC4=CC(=O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)=CC(=O)CC4)C)CCC2=O",null,"CC12CCC3C(CCC4=CC(=O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)=CC(=O)CC4)C)CCC2=O",null,"CC12CCC3C(CCC4=CC(=O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)=CC(=O)CC4)C)CCC2=O"]
[217,"63-25-2","CNC(=O)Oc1cccc2ccccc12","CNC(=O)Oc1c2c(ccc1)cccc2",null,"CNC(=O)Oc1cccc2ccccc12","CNC(=O)Oc1c2c(ccc1)cccc2",null,"CNC(=O)Oc1cccc2ccccc12","CNC(=O)Oc1c2c(ccc1)cccc2"]
[218,"63-42-3","OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",null,"OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",null,"OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",null,"OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O"]
[219,"63-68-3","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O",null,"CSCCC(N)C(=O)O","CSCCC(N)C(=O)O",null,"CSCCC(N)C(=O)O","CSCCC(N)C(=O)O",null,"CSCCC(N)C(=O)O","CSCCC(N)C(=O)O"]
[220,"63-74-1","Nc1ccc(S(N)(=O)=O)cc1","Nc1ccc(cc1)S(N)(=O)=O",null,"Nc1ccc(S(N)(=O)=O)cc1","Nc1ccc(cc1)S(N)(=O)=O",null,"Nc1ccc(S(N)(=O)=O)cc1","Nc1ccc(cc1)S(N)(=O)=O",null,"Nc1ccc(S(N)(=O)=O)cc1","Nc1ccc(cc1)S(N)(=O)=O"]
[221,"63-75-2","COC(=O)C1=CCCN(C)C1","COC(=O)C=1CN(CCC1)C",null,"COC(=O)C1=CCCN(C)C1","COC(=O)C=1CN(CCC1)C",null,"COC(=O)C1=CCCN(C)C1","COC(=O)C=1CN(CCC1)C",null,"COC(=O)C1=CCCN(C)C1","COC(=O)C=1CN(CCC1)C"]
[222,"63-91-2","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",null,"NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",null,"NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",null,"NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O"]
[223,"64-00-6",{"$nulls":3},"CNC(=O)Oc1cccc(C(C)C)c1","CNC(=O)Oc1cc(ccc1)C(C)C",{"$nulls":4},"CNC(=O)Oc1cccc(C(C)C)c1","CNC(=O)Oc1cc(ccc1)C(C)C"]
[224,"64-02-8",{"$nulls":3},"O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O","[Na+](4)","O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O","[Na+](4)","O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O","[Na+](4)"]
[225,"64-17-5","CCO","CCO",null,"CCO","CCO",null,"CCO","CCO"]
[226,"64-18-6","O=CO","O=CO",null,"O=CO","O=CO",null,"O=CO","O=CO",null,"O=CO","O=CO"]
[227,"64-19-7","CC(=O)O","CC(=O)O",null,"CC(=O)O","CC(=O)O",null,"CC(=O)O","CC(=O)O",null,"CC(=O)O","CC(=O)O"]
[228,"64-31-3","CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","OS(O)(=O)=O(1)","C[NH+]1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","C[NH+]1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35(1), [O-]S([O-])(=O)=O(1)","CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","CN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35(1), OS(O)(=O)=O(1)","CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","CN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35(1), OS(O)(=O)=O(1)",null,"Organic counterion"]
[229,"64-55-1","CCC(C)C(C)(COC(N)=O)COC(N)=O","CCC(C)C(C)(COC(N)=O)COC(N)=O",null,"CCC(C)C(C)(COC(N)=O)COC(N)=O","CCC(C)C(C)(COC(N)=O)COC(N)=O",null,"CCC(C)C(C)(COC(N)=O)COC(N)=O","CCC(C)C(C)(COC(N)=O)COC(N)=O",null,"CCC(C)C(C)(COC(N)=O)COC(N)=O","CCC(C)C(C)(COC(N)=O)COC(N)=O"]
[230,"64-67-5","CCOS(=O)(=O)OCC","CCOS(=O)(=O)OCC",null,"CCOS(=O)(=O)OCC","CCOS(=O)(=O)OCC",null,"CCOS(=O)(=O)OCC","CCOS(=O)(=O)OCC",null,"CCOS(=O)(=O)OCC","CCOS(=O)(=O)OCC"]
[231,"64-77-7","CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C",null,"CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C",null,"CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C",null,"CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C"]
[232,"64-85-7","CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(C(=O)CO)CC4",null,"CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(C(=O)CO)CC4",null,"CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(C(=O)CO)CC4",null,"CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(C(=O)CO)CC4"]
[233,"64-86-8","COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2","COc1c(c(c-2c(c1)CCC(c3c2ccc(OC)c(=O)c3)NC(C)=O)OC)OC",null,"COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2","COc1c(c(c-2c(c1)CCC(c3c2ccc(OC)c(=O)c3)NC(C)=O)OC)OC",null,"COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2","COc1c(c(c-2c(c1)CCC(c3c2ccc(OC)c(=O)c3)NC(C)=O)OC)OC",null,"COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2","COc1c(c(c-2c(c1)CCC(c3c2ccc(OC)c(=O)c3)NC(C)=O)OC)OC"]
[234,"65-22-5","Cc1ncc(CO)c(C=O)c1O","Cc1c(c(c(cn1)CO)C=O)O","[Cl-](1), [H+](1)","Cc1ncc(CO)c(C=O)c1O","Cc1c(c(c(cn1)CO)C=O)O","[Cl-](1), [H+](1)","Cc1ncc(CO)c(C=O)c1O","Cc1c(c(c(cn1)CO)C=O)O","Cl(1)","Cc1ncc(CO)c(C=O)c1O","Cc1c(c(c(cn1)CO)C=O)O","Cl(1)"]
[235,"65-45-2","NC(=O)c1ccccc1O","NC(=O)c1c(cccc1)O",null,"NC(=O)c1ccccc1O","NC(=O)c1c(cccc1)O",null,"NC(=O)c1ccccc1O","NC(=O)c1c(cccc1)O",null,"NC(=O)c1ccccc1O","NC(=O)c1c(cccc1)O"]
[236,"65-49-6","Nc1ccc(C(=O)O)c(O)c1","Nc1cc(c(cc1)C(=O)O)O",null,"Nc1ccc(C(=O)O)c(O)c1","Nc1cc(c(cc1)C(=O)O)O",null,"Nc1ccc(C(=O)O)c(O)c1","Nc1cc(c(cc1)C(=O)O)O",null,"Nc1ccc(C(=O)O)c(O)c1","Nc1cc(c(cc1)C(=O)O)O"]
[237,"65-71-4","Cc1c[nH]c(=O)[nH]c1=O","Cc1c([nH]c([nH]c1)=O)=O",null,"Cc1c[nH]c(=O)[nH]c1=O","Cc1c([nH]c([nH]c1)=O)=O",null,"Cc1c[nH]c(=O)[nH]c1=O","Cc1c([nH]c([nH]c1)=O)=O",null,"Cc1c[nH]c(=O)[nH]c1=O","Cc1c([nH]c([nH]c1)=O)=O"]
[238,"65-82-7","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",null,"CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",null,"CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",null,"CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O"]
[239,"65-85-0","O=C(O)c1ccccc1","O=C(O)c1ccccc1",null,"O=C(O)c1ccccc1","O=C(O)c1ccccc1",null,"O=C(O)c1ccccc1","O=C(O)c1ccccc1",null,"O=C(O)c1ccccc1","O=C(O)c1ccccc1"]
[240,"65-86-1","O=C(O)c1cc(=O)[nH]c(=O)[nH]1","O=C(O)c1[nH]c([nH]c(c1)=O)=O",null,"O=C(O)c1cc(=O)[nH]c(=O)[nH]1","O=C(O)c1[nH]c([nH]c(c1)=O)=O",null,"O=C(O)c1cc(O)nc(O)n1","O=C(O)c1nc(nc(c1)O)O",null,"O=C(O)c1cc(O)nc(O)n1","O=C(O)c1nc(nc(c1)O)O"]
[241,"66-02-4","NC(Cc1cc(I)c(O)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O",null,"NC(Cc1cc(I)c(O)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O",null,"NC(Cc1cc(I)c(O)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O",null,"NC(Cc1cc(I)c(O)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O"]
[242,"66-22-8","O=c1cc[nH]c(=O)[nH]1","O=c1[nH]c([nH]cc1)=O",null,"O=c1cc[nH]c(=O)[nH]1","O=c1[nH]c([nH]cc1)=O",null,"O=c1cc[nH]c(=O)[nH]1","O=c1[nH]c([nH]cc1)=O",null,"O=c1cc[nH]c(=O)[nH]1","O=c1[nH]c([nH]cc1)=O"]
[243,"66-25-1","CCCCCC=O","CCCCCC=O",null,"CCCCCC=O","CCCCCC=O",null,"CCCCCC=O","CCCCCC=O",null,"CCCCCC=O","CCCCCC=O"]
[244,"66-71-7","c1cnc2c(c1)ccc1cccnc12","c1cc2c(nc1)c3c(cc2)cccn3",null,"c1cnc2c(c1)ccc1cccnc12","c1cc2c(nc1)c3c(cc2)cccn3",null,"c1cnc2c(c1)ccc1cccnc12","c1cc2c(nc1)c3c(cc2)cccn3",null,"c1cnc2c(c1)ccc1cccnc12","c1cc2c(nc1)c3c(cc2)cccn3"]
[245,"66-72-8","Cc1ncc(CO)c(C=O)c1O","Cc1c(c(c(cn1)CO)C=O)O",null,"Cc1ncc(CO)c(C=O)c1O","Cc1c(c(c(cn1)CO)C=O)O",null,"Cc1ncc(CO)c(C=O)c1O","Cc1c(c(c(cn1)CO)C=O)O",null,"Cc1ncc(CO)c(C=O)c1O","Cc1c(c(c(cn1)CO)C=O)O"]
[246,"66-81-9","CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1","CC1CC(C(C(C1)C)=O)C(O)CC2CC(NC(C2)=O)=O",null,"CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1","CC1CC(C(C(C1)C)=O)C(O)CC2CC(NC(C2)=O)=O",null,"CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1","CC1CC(C(C(C1)C)=O)C(O)CC2CC(NC(C2)=O)=O",null,"CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1","CC1CC(C(C(C1)C)=O)C(O)CC2CC(NC(C2)=O)=O"]
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[248,"67-20-9","O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1","O=C1NC(N(C1)N=Cc2oc(cc2)[N+](=O)[O-])=O",null,"O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1","O=C1NC(N(C1)N=Cc2oc(cc2)[N+](=O)[O-])=O",null,"O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1","O=C1NC(N(C1)N=Cc2oc(cc2)[N+](=O)[O-])=O",null,"O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1","O=C1NC(N(C1)N=Cc2oc(cc2)[N+](=O)[O-])=O"]
[249,"67-28-7","CC(=O)NN=Cc1ccc([N+](=O)[O-])o1","CC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]",null,"CC(=O)NN=Cc1ccc([N+](=O)[O-])o1","CC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]",null,"CC(=O)NN=Cc1ccc([N+](=O)[O-])o1","CC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]",null,"CC(=O)NN=Cc1ccc([N+](=O)[O-])o1","CC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]"]
[250,"67-56-1","CO","CO",null,"CO","CO",null,"CO","CO",null,"CO","CO"]
[251,"67-63-0","CC(C)O","CC(C)O",null,"CC(C)O","CC(C)O",null,"CC(C)O","CC(C)O",null,"CC(C)O","CC(C)O"]
[252,"67-64-1","CC(C)=O","CC(C)=O",null,"CC(C)=O","CC(C)=O",null,"CC(C)=O","CC(C)=O",null,"CC(C)=O","CC(C)=O"]
[253,"67-66-3","ClC(Cl)Cl","ClC(Cl)Cl",null,"ClC(Cl)Cl","ClC(Cl)Cl",null,"ClC(Cl)Cl","ClC(Cl)Cl",null,"ClC(Cl)Cl","ClC(Cl)Cl"]
[254,"67-68-5","CS(C)=O","CS(C)=O",null,"CS(C)=O","CS(C)=O",null,"CS(C)=O","CS(C)=O",null,"CS(C)=O","CS(C)=O"]
[255,"67-72-1","ClC(Cl)(Cl)C(Cl)(Cl)Cl","ClC(Cl)(Cl)C(Cl)(Cl)Cl",null,"ClC(Cl)(Cl)C(Cl)(Cl)Cl","ClC(Cl)(Cl)C(Cl)(Cl)Cl",null,"ClC(Cl)(Cl)C(Cl)(Cl)Cl","ClC(Cl)(Cl)C(Cl)(Cl)Cl",null,"ClC(Cl)(Cl)C(Cl)(Cl)Cl","ClC(Cl)(Cl)C(Cl)(Cl)Cl"]
[256,"67-78-7","CC(=O)OCC(=O)C1(O)C(OC(C)=O)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1OC(C)=O)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O",null,"CC(=O)OCC(=O)C1(O)C(OC(C)=O)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1OC(C)=O)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O",null,"CC(=O)OCC(=O)C1(O)C(OC(C)=O)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1OC(C)=O)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O",null,"CC(=O)OCC(=O)C1(O)C(OC(C)=O)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1OC(C)=O)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O"]
[257,"67-99-2","CN1C(=O)C23CC4=CC=CC(O)C4N2C(=O)C1(CO)SS3","CN1C2(C(N3C(C1=O)(SS2)CC=4C3C(C=CC4)O)=O)CO",null,"CN1C(=O)C23CC4=CC=CC(O)C4N2C(=O)C1(CO)SS3","CN1C2(C(N3C(C1=O)(SS2)CC=4C3C(C=CC4)O)=O)CO",null,"CN1C(=O)C23CC4=CC=CC(O)C4N2C(=O)C1(CO)SS3","CN1C2(C(N3C(C1=O)(SS2)CC=4C3C(C=CC4)O)=O)CO",null,"CN1C(=O)C23CC4=CC=CC(O)C4N2C(=O)C1(CO)SS3","CN1C2(C(N3C(C1=O)(SS2)CC=4C3C(C=CC4)O)=O)CO"]
[258,"68-11-1","O=C(O)CS","O=C(O)CS",null,"O=C(O)CS","O=C(O)CS",null,"O=C(O)CS","O=C(O)CS",null,"O=C(O)CS","O=C(O)CS"]
[259,"68-12-2",{"$nulls":3},"CN(C)C=O","CN(C)C=O",null,"CN(C)C=O","CN(C)C=O",null,"CN(C)C=O","CN(C)C=O"]
[260,"68-19-9",{"$nulls":9},"CC1=C2N=C(C=C3N=C(C(C)=C4C(CCC(N)=O)C(C)(CC(N)=O)C(C)(C5N=C1C(C)(CCC(=O)NCC(C)OP(=O)([O-])OC1C(CO)OC(n6cnc7cc(C)c(C)cc76)C1O)C5CC(N)=O)N4[Co+]C#N)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C2CCC(N)=O","CC1=C2N=C(C=C3N=C(C(C)=C4C(CCC(N)=O)C(C)(CC(N)=O)C(C)(C5N=C1C(C)(CCC(=O)NCC(C)OP(=O)([O-])OC1C(CO)OC(n6cnc7cc(C)c(C)cc76)C1O)C5CC(N)=O)N4[Co+]C#N)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C2CCC(N)=O"]
[261,"68-22-4","C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)O",null,"C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)O",null,"C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)O",null,"C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)O"]
[262,"68-35-9","Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",null,"Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",null,"Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",null,"Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2"]
[263,"68-94-0","O=c1[nH]cnc2nc[nH]c12","O=c1c2c(nc[nH]1)nc[nH]2",null,"O=c1nc[nH]c2nc[nH]c12","O=c1c2c([nH]cn1)nc[nH]2",null,"O=c1[nH]cnc2nc[nH]c12","O=c1c2c(nc[nH]1)nc[nH]2",null,"O=c1[nH]cnc2nc[nH]c12","O=c1c2c(nc[nH]1)nc[nH]2"]
[264,"68-96-2","CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O",null,"CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O",null,"CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O",null,"CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O"]
[265,"69-23-8","OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3",null,"OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3",null,"OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3",null,"OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3"]
[266,"69-33-0","Nc1ncnc2c1ccn2C1OC(CO)C(O)C1O","Nc1c2c(ncn1)n(cc2)C3C(C(C(O3)CO)O)O",null,"Nc1ncnc2c1ccn2C1OC(CO)C(O)C1O","Nc1c2c(ncn1)n(cc2)C3C(C(C(O3)CO)O)O"]
[267,"69-53-4","CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O","CC1(C(N2C(S1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O)C",null,"CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O","CC1(C(N2C(S1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O)C",null,"CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O","CC1(C(N2C(S1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O)C",null,"CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O","CC1(C(N2C(S1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O)C"]
[268,"69-65-8","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",null,"OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",null,"OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",null,"OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO"]
[269,"69-72-7","O=C(O)c1ccccc1O","O=C(O)c1c(cccc1)O",null,"O=C(O)c1ccccc1O","O=C(O)c1c(cccc1)O",null,"O=C(O)c1ccccc1O","O=C(O)c1c(cccc1)O",null,"O=C(O)c1ccccc1O","O=C(O)c1c(cccc1)O"]
[270,"69-79-4","OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",null,"OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",null,"OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",null,"OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O"]
[271,"69-89-6","O=c1[nH]c(=O)c2[nH]cnc2[nH]1","O=c1[nH]c2c(c([nH]1)=O)[nH]cn2",null,"O=c1[nH]c(=O)c2[nH]cnc2[nH]1","O=c1[nH]c2c(c([nH]1)=O)[nH]cn2",null,"O=c1[nH]c(=O)c2[nH]cnc2[nH]1","O=c1[nH]c2c(c([nH]1)=O)[nH]cn2",null,"O=c1[nH]c(=O)c2[nH]cnc2[nH]1","O=c1[nH]c2c(c([nH]1)=O)[nH]cn2"]
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[273,"70-30-4","Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cc2c(c(cc(c2O)Cl)Cl)Cl",null,"Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cc2c(c(cc(c2O)Cl)Cl)Cl",null,"Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cc2c(c(cc(c2O)Cl)Cl)Cl",null,"Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cc2c(c(cc(c2O)Cl)Cl)Cl"]
[274,"70-34-8","O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)F)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)F)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)F)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)F)[N+](=O)[O-]"]
[275,"70-47-3","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O",null,"NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O",null,"NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O",null,"NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O"]
[276,"70-49-5","O=C(O)CC(S)C(=O)O","O=C(O)CC(S)C(=O)O",null,"O=C(O)CC(S)C(=O)O","O=C(O)CC(S)C(=O)O",null,"O=C(O)CC(S)C(=O)O","O=C(O)CC(S)C(=O)O",null,"O=C(O)CC(S)C(=O)O","O=C(O)CC(S)C(=O)O"]
[277,"70-51-9","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN",null,"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN",null,"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN",null,"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN"]
[278,"70-55-3","Cc1ccc(S(N)(=O)=O)cc1","Cc1ccc(cc1)S(N)(=O)=O",null,"Cc1ccc(S(N)(=O)=O)cc1","Cc1ccc(cc1)S(N)(=O)=O",null,"Cc1ccc(S(N)(=O)=O)cc1","Cc1ccc(cc1)S(N)(=O)=O",null,"Cc1ccc(S(N)(=O)=O)cc1","Cc1ccc(cc1)S(N)(=O)=O"]
[279,"70-69-9","CCC(=O)c1ccc(N)cc1","CCC(=O)c1ccc(cc1)N",null,"CCC(=O)c1ccc(N)cc1","CCC(=O)c1ccc(cc1)N",null,"CCC(=O)c1ccc(N)cc1","CCC(=O)c1ccc(cc1)N",null,"CCC(=O)c1ccc(N)cc1","CCC(=O)c1ccc(cc1)N"]
[280,"70-70-2","CCC(=O)c1ccc(O)cc1","CCC(=O)c1ccc(cc1)O",null,"CCC(=O)c1ccc(O)cc1","CCC(=O)c1ccc(cc1)O",null,"CCC(=O)c1ccc(O)cc1","CCC(=O)c1ccc(cc1)O",null,"CCC(=O)c1ccc(O)cc1","CCC(=O)c1ccc(cc1)O"]
[281,"71-00-1","NC(Cc1c[nH]cn1)C(=O)O","NC(Cc1nc[nH]c1)C(=O)O",null,"NC(Cc1cnc[nH]1)C(=O)O","NC(Cc1[nH]cnc1)C(=O)O",null,"NC(Cc1cnc[nH]1)C(=O)O","NC(Cc1[nH]cnc1)C(=O)O",null,"NC(Cc1cnc[nH]1)C(=O)O","NC(Cc1[nH]cnc1)C(=O)O"]
[282,"71-23-8","CCCO","CCCO",null,"CCCO","CCCO",null,"CCCO","CCCO",null,"CCCO","CCCO"]
[283,"71-30-7","Nc1cc[nH]c(=O)n1","Nc1nc([nH]cc1)=O",null,"Nc1ccnc(=O)[nH]1","Nc1[nH]c(ncc1)=O",null,"Nc1cc[nH]c(=O)n1","Nc1nc([nH]cc1)=O",null,"Nc1cc[nH]c(=O)n1","Nc1nc([nH]cc1)=O"]
[284,"71-36-3","CCCCO","CCCCO",null,"CCCCO","CCCCO",null,"CCCCO","CCCCO",null,"CCCCO","CCCCO"]
[285,"71-41-0","CCCCCO","CCCCCO",null,"CCCCCO","CCCCCO",null,"CCCCCO","CCCCCO",null,"CCCCCO","CCCCCO"]
[286,"71-43-2","c1ccccc1","c1ccccc1",null,"c1ccccc1","c1ccccc1",null,"c1ccccc1","c1ccccc1",null,"c1ccccc1","c1ccccc1"]
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[314,"74-89-5","CN","CN",null,"CN","CN",null,"CN","CN",null,"CN","CN"]
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[321,"74-99-7","C#CC","C#CC",null,"C#CC","C#CC",null,"C#CC","C#CC",null,"C#CC","C#CC"]
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[324,"75-03-6","CCI","CCI",null,"CCI","CCI",null,"CCI","CCI",null,"CCI","CCI"]
[325,"75-04-7","CCN","CCN",null,"CCN","CCN",null,"CCN","CCN",null,"CCN","CCN"]
[326,"75-05-8","CC#N","CC#N",null,"CC#N","CC#N",null,"CC#N","CC#N",null,"CC#N","CC#N"]
[327,"75-07-0","CC=O","CC=O",null,"CC=O","CC=O",null,"CC=O","CC=O",null,"CC=O","CC=O"]
[328,"75-08-1","CCS","CCS",null,"CCS","CCS",null,"CCS","CCS",null,"CCS","CCS"]
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[330,"75-11-6","ICI","ICI",null,"ICI","ICI",null,"ICI","ICI",null,"ICI","ICI"]
[331,"75-12-7","NC=O","NC=O",null,"NC=O","NC=O",null,"NC=O","NC=O",null,"NC=O","NC=O"]
[332,"75-15-0","S=C=S","S=C=S",null,"S=C=S","S=C=S",null,"S=C=S","S=C=S",null,"S=C=S","S=C=S"]
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[354,"75-55-8","CC1CN1","CC1NC1",null,"CC1CN1","CC1NC1",null,"CC1CN1","CC1NC1",null,"CC1CN1","CC1NC1"]
[355,"75-56-9","CC1CO1","CC1OC1",null,"CC1CO1","CC1OC1",null,"CC1CO1","CC1OC1",null,"CC1CO1","CC1OC1"]
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[369,"75-84-3","CC(C)(C)CO","CC(C)(C)CO",null,"CC(C)(C)CO","CC(C)(C)CO",null,"CC(C)(C)CO","CC(C)(C)CO",null,"CC(C)(C)CO","CC(C)(C)CO"]
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[371,"75-86-5","CC(C)(O)C#N","CC(C)(O)C#N",null,"CC(C)(O)C#N","CC(C)(O)C#N",null,"CC(C)(O)C#N","CC(C)(O)C#N",null,"CC(C)(O)C#N","CC(C)(O)C#N"]
[372,"75-87-6","O=CC(Cl)(Cl)Cl","O=CC(Cl)(Cl)Cl",null,"O=CC(Cl)(Cl)Cl","O=CC(Cl)(Cl)Cl",null,"O=CC(Cl)(Cl)Cl","O=CC(Cl)(Cl)Cl",null,"O=CC(Cl)(Cl)Cl","O=CC(Cl)(Cl)Cl"]
[373,"75-88-7","FC(F)(F)CCl","FC(F)(F)CCl",null,"FC(F)(F)CCl","FC(F)(F)CCl",null,"FC(F)(F)CCl","FC(F)(F)CCl",null,"FC(F)(F)CCl","FC(F)(F)CCl"]
[374,"75-89-8","OCC(F)(F)F","OCC(F)(F)F",null,"OCC(F)(F)F","OCC(F)(F)F",null,"OCC(F)(F)F","OCC(F)(F)F",null,"OCC(F)(F)F","OCC(F)(F)F"]
[375,"75-96-7","O=C(O)C(Br)(Br)Br","O=C(O)C(Br)(Br)Br",null,"O=C([O-])C(Br)(Br)Br","O=C(O)C(Br)(Br)Br",null,"O=C(O)C(Br)(Br)Br","O=C(O)C(Br)(Br)Br",null,"O=C(O)C(Br)(Br)Br","O=C(O)C(Br)(Br)Br"]
[376,"75-97-8","CC(=O)C(C)(C)C","CC(=O)C(C)(C)C",null,"CC(=O)C(C)(C)C","CC(=O)C(C)(C)C",null,"CC(=O)C(C)(C)C","CC(=O)C(C)(C)C",null,"CC(=O)C(C)(C)C","CC(=O)C(C)(C)C"]
[377,"75-98-9","CC(C)(C)C(=O)O","CC(C)(C)C(=O)O",null,"CC(C)(C)C(=O)O","CC(C)(C)C(=O)O",null,"CC(C)(C)C(=O)O","CC(C)(C)C(=O)O",null,"CC(C)(C)C(=O)O","CC(C)(C)C(=O)O"]
[378,"75-99-0","CC(Cl)(Cl)C(=O)O","CC(Cl)(Cl)C(=O)O",null,"CC(Cl)(Cl)C(=O)O","CC(Cl)(Cl)C(=O)O",null,"CC(Cl)(Cl)C(=O)O","CC(Cl)(Cl)C(=O)O",null,"CC(Cl)(Cl)C(=O)O","CC(Cl)(Cl)C(=O)O"]
[379,"76-00-6","CC(O)C(Cl)(Cl)Cl","CC(O)C(Cl)(Cl)Cl",null,"CC(O)C(Cl)(Cl)Cl","CC(O)C(Cl)(Cl)Cl"]
[380,"76-01-7","ClC(Cl)C(Cl)(Cl)Cl","ClC(Cl)C(Cl)(Cl)Cl",null,"ClC(Cl)C(Cl)(Cl)Cl","ClC(Cl)C(Cl)(Cl)Cl",null,"ClC(Cl)C(Cl)(Cl)Cl","ClC(Cl)C(Cl)(Cl)Cl",null,"ClC(Cl)C(Cl)(Cl)Cl","ClC(Cl)C(Cl)(Cl)Cl"]
[381,"76-03-9","O=C(O)C(Cl)(Cl)Cl","O=C(O)C(Cl)(Cl)Cl",null,"O=C(O)C(Cl)(Cl)Cl","O=C(O)C(Cl)(Cl)Cl",null,"O=C(O)C(Cl)(Cl)Cl","O=C(O)C(Cl)(Cl)Cl",null,"O=C(O)C(Cl)(Cl)Cl","O=C(O)C(Cl)(Cl)Cl"]
[382,"76-04-0","O=C(O)C(F)(F)Cl","O=C(O)C(F)(F)Cl",null,"O=C(O)C(F)(F)Cl","O=C(O)C(F)(F)Cl",null,"O=C(O)C(F)(F)Cl","O=C(O)C(F)(F)Cl",null,"O=C(O)C(F)(F)Cl","O=C(O)C(F)(F)Cl"]
[383,"76-05-1","O=C(O)C(F)(F)F","O=C(O)C(F)(F)F",null,"O=C(O)C(F)(F)F","O=C(O)C(F)(F)F",null,"O=C(O)C(F)(F)F","O=C(O)C(F)(F)F",null,"O=C(O)C(F)(F)F","O=C(O)C(F)(F)F"]
[384,"76-06-2","O=[N+]([O-])C(Cl)(Cl)Cl","O=[N+]([O-])C(Cl)(Cl)Cl",null,"O=[N+]([O-])C(Cl)(Cl)Cl","O=[N+]([O-])C(Cl)(Cl)Cl",null,"O=[N+]([O-])C(Cl)(Cl)Cl","O=[N+]([O-])C(Cl)(Cl)Cl",null,"O=[N+]([O-])C(Cl)(Cl)Cl","O=[N+]([O-])C(Cl)(Cl)Cl"]
[385,"76-11-9","FC(F)(Cl)C(Cl)(Cl)Cl","FC(F)(Cl)C(Cl)(Cl)Cl",null,"FC(F)(Cl)C(Cl)(Cl)Cl","FC(F)(Cl)C(Cl)(Cl)Cl",null,"FC(F)(Cl)C(Cl)(Cl)Cl","FC(F)(Cl)C(Cl)(Cl)Cl",null,"FC(F)(Cl)C(Cl)(Cl)Cl","FC(F)(Cl)C(Cl)(Cl)Cl"]
[386,"76-12-0",{"$nulls":3},"FC(Cl)(Cl)C(F)(Cl)Cl","FC(Cl)(Cl)C(F)(Cl)Cl",null,"FC(Cl)(Cl)C(F)(Cl)Cl","FC(Cl)(Cl)C(F)(Cl)Cl",null,"FC(Cl)(Cl)C(F)(Cl)Cl","FC(Cl)(Cl)C(F)(Cl)Cl"]
[387,"76-13-1","FC(F)(Cl)C(F)(Cl)Cl","FC(F)(Cl)C(F)(Cl)Cl",null,"FC(F)(Cl)C(F)(Cl)Cl","FC(F)(Cl)C(F)(Cl)Cl",null,"FC(F)(Cl)C(F)(Cl)Cl","FC(F)(Cl)C(F)(Cl)Cl",null,"FC(F)(Cl)C(F)(Cl)Cl","FC(F)(Cl)C(F)(Cl)Cl"]
[388,"76-14-2","FC(F)(Cl)C(F)(F)Cl","FC(F)(Cl)C(F)(F)Cl",null,"FC(F)(Cl)C(F)(F)Cl","FC(F)(Cl)C(F)(F)Cl",null,"FC(F)(Cl)C(F)(F)Cl","FC(F)(Cl)C(F)(F)Cl",null,"FC(F)(Cl)C(F)(F)Cl","FC(F)(Cl)C(F)(F)Cl"]
[389,"76-15-3","FC(F)(F)C(F)(F)Cl","FC(F)(F)C(F)(F)Cl",null,"FC(F)(F)C(F)(F)Cl","FC(F)(F)C(F)(F)Cl",null,"FC(F)(F)C(F)(F)Cl","FC(F)(F)C(F)(F)Cl",null,"FC(F)(F)C(F)(F)Cl","FC(F)(F)C(F)(F)Cl"]
[390,"76-16-4","FC(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)F",null,"FC(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)F",null,"FC(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)F",null,"FC(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)F"]
[391,"76-19-7","FC(F)(F)C(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)C(F)(F)F",null,"FC(F)(F)C(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)C(F)(F)F",null,"FC(F)(F)C(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)C(F)(F)F",null,"FC(F)(F)C(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)C(F)(F)F"]
[392,"76-20-0","CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC",null,"CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC",null,"CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC",null,"CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC"]
[393,"76-22-2","CC12CCC(CC1=O)C2(C)C","CC12C(CC(CC1)C2(C)C)=O",null,"CC12CCC(CC1=O)C2(C)C","CC12C(CC(CC1)C2(C)C)=O",null,"CC12CCC(CC1=O)C2(C)C","CC12C(CC(CC1)C2(C)C)=O",null,"CC12CCC(CC1=O)C2(C)C","CC12C(CC(CC1)C2(C)C)=O"]
[394,"76-24-4","O=C1NC(=O)C(O)(C2(O)C(=O)NC(=O)NC2=O)C(=O)N1","O=C1NC(C(C(N1)=O)(O)C2(C(NC(NC2=O)=O)=O)O)=O",null,"O=C1NC(=O)C(O)(C2(O)C(=O)NC(=O)NC2=O)C(=O)N1","O=C1NC(C(C(N1)=O)(O)C2(C(NC(NC2=O)=O)=O)O)=O",null,"NC(=O)NC1NC(=O)NC1=O","NC(=O)NC1C(NC(N1)=O)=O",null,"O=C1NC(=O)C(O)(C2(O)C(=O)NC(=O)NC2=O)C(=O)N1","O=C1NC(C(C(N1)=O)(O)C2(C(NC(NC2=O)=O)=O)O)=O"]
[395,"76-25-5","CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1","CC1(OC2(C(O1)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C)C(=O)CO)C",null,"CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1","CC1(OC2(C(O1)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C)C(=O)CO)C",null,"CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1","CC1(OC2(C(O1)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C)C(=O)CO)C",null,"CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1","CC1(OC2(C(O1)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C)C(=O)CO)C"]
[396,"76-38-0","COC(F)(F)C(Cl)Cl","COC(F)(F)C(Cl)Cl",null,"COC(F)(F)C(Cl)Cl","COC(F)(F)C(Cl)Cl",null,"COC(F)(F)C(Cl)Cl","COC(F)(F)C(Cl)Cl",null,"COC(F)(F)C(Cl)Cl","COC(F)(F)C(Cl)Cl"]
[397,"76-39-1","CC(C)(CO)[N+](=O)[O-]","CC(C)(CO)[N+](=O)[O-]",null,"CC(C)(CO)[N+](=O)[O-]","CC(C)(CO)[N+](=O)[O-]",null,"CC(C)(CO)[N+](=O)[O-]","CC(C)(CO)[N+](=O)[O-]",null,"CC(C)(CO)[N+](=O)[O-]","CC(C)(CO)[N+](=O)[O-]"]
[398,"76-40-4","CC(Cl)C(Cl)(Cl)C(O)O","CC(Cl)C(Cl)(Cl)C(O)O",null,"CC(Cl)C(Cl)(Cl)C(O)O","CC(Cl)C(Cl)(Cl)C(O)O",null,"CC(Cl)C(Cl)(Cl)C(O)O","CC(Cl)C(Cl)(Cl)C(O)O",null,"CC(Cl)C(Cl)(Cl)C(O)O","CC(Cl)C(Cl)(Cl)C(O)O"]
[399,"76-44-8","ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C=C3)Cl",null,"ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C=C3)Cl",null,"ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C=C3)Cl",null,"ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C=C3)Cl"]
[400,"76-57-3","COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341","COc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O",null,"COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341","COc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O",null,"COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341","COc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O",null,"COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341","COc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O"]
[401,"76-58-4","CCOc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341","CCOc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O",null,"CCOc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341","CCOc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O",null,"CCOc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341","CCOc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O",null,"CCOc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341","CCOc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O"]
[402,"76-74-4","CCCC(C)C1(CC)C(=O)NC(=O)NC1=O","CCCC(C)C1(C(NC(NC1=O)=O)=O)CC",null,"CCCC(C)C1(CC)C(=O)NC(=O)NC1=O","CCCC(C)C1(C(NC(NC1=O)=O)=O)CC",null,"CCCC(C)C1(CC)C(=O)N=C(O)NC1=O","CCCC(C)C1(C(NC(=NC1=O)O)=O)CC",null,"CCCC(C)C1(CC)C(=O)N=C(O)NC1=O","CCCC(C)C1(C(NC(=NC1=O)O)=O)CC"]
[403,"76-76-6","CCC1(C(C)C)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C(C)C",null,"CCC1(C(C)C)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C(C)C",null,"CCC1(C(C)C)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C(C)C",null,"CCC1(C(C)C)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C(C)C"]
[404,"76-82-4",{"$nulls":3},"Cc1cc(C(O)(c2ccc(N)cc2)c2ccc(N)cc2)ccc1N","Cc1c(ccc(c1)C(O)(c2ccc(cc2)N)c3ccc(cc3)N)N",{"$nulls":4},"Cc1cc(C(O)(c2ccc(N)cc2)c2ccc(N)cc2)ccc1N","Cc1c(ccc(c1)C(O)(c2ccc(cc2)N)c3ccc(cc3)N)N"]
[405,"76-84-6","OC(c1ccccc1)(c1ccccc1)c1ccccc1","OC(c1ccccc1)(c2ccccc2)c3ccccc3",null,"OC(c1ccccc1)(c1ccccc1)c1ccccc1","OC(c1ccccc1)(c2ccccc2)c3ccccc3",null,"OC(c1ccccc1)(c1ccccc1)c1ccccc1","OC(c1ccccc1)(c2ccccc2)c3ccccc3",null,"OC(c1ccccc1)(c1ccccc1)c1ccccc1","OC(c1ccccc1)(c2ccccc2)c3ccccc3"]
[406,"76-87-9","c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1","c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1","[OH-](1)",{"$nulls":3},"O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1","O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3",null,"O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1","O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3"]
[407,"76-93-7","O=C(O)C(O)(c1ccccc1)c1ccccc1","O=C(O)C(O)(c1ccccc1)c2ccccc2",null,"O=C(O)C(O)(c1ccccc1)c1ccccc1","O=C(O)C(O)(c1ccccc1)c2ccccc2",null,"O=C(O)C(O)(c1ccccc1)c1ccccc1","O=C(O)C(O)(c1ccccc1)c2ccccc2",null,"O=C(O)C(O)(c1ccccc1)c1ccccc1","O=C(O)C(O)(c1ccccc1)c2ccccc2"]
[408,"76-94-8",{"$nulls":3},"CC1(c2ccccc2)C(=O)NC(=O)NC1=O","CC1(C(NC(NC1=O)=O)=O)c2ccccc2",{"$nulls":4},"CC1(c2ccccc2)C(=O)NC(=O)NC1=O","CC1(C(NC(NC1=O)=O)=O)c2ccccc2"]
[409,"77-02-1","C=CCC1(C(C)C)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)C(C)C",null,"C=CCC1(C(C)C)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)C(C)C",null,"C=CCC1(C(C)C)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)C(C)C",null,"C=CCC1(C(C)C)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)C(C)C"]
[410,"77-06-5","C=C1CC23CC1(O)CCC2C12C=CC(O)C(C)(C(=O)O1)C2C3C(=O)O","C=C1C2(CC3(C1)C(CC2)C45OC(C(C(C=C4)O)(C)C5C3C(=O)O)=O)O",null,"C=C1CC23CC1(O)CCC2C12C=CC(O)C(C)(C(=O)O1)C2C3C(=O)O","C=C1C2(CC3(C1)C(CC2)C45OC(C(C(C=C4)O)(C)C5C3C(=O)O)=O)O",null,"C=C1CC23CC1(O)CCC2C12C=CC(O)C(C)(C(=O)O1)C2C3C(=O)O","C=C1C2(CC3(C1)C(CC2)C45OC(C(C(C=C4)O)(C)C5C3C(=O)O)=O)O",null,"C=C1CC23CC1(O)CCC2C12C=CC(O)C(C)(C(=O)O1)C2C3C(=O)O","C=C1C2(CC3(C1)C(CC2)C45OC(C(C(C=C4)O)(C)C5C3C(=O)O)=O)O"]
[411,"77-09-8","O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21","O=C1c2c(C(O1)(c3ccc(cc3)O)c4ccc(cc4)O)cccc2",null,"O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21","O=C1c2c(C(O1)(c3ccc(cc3)O)c4ccc(cc4)O)cccc2",null,"O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21","O=C1c2c(C(O1)(c3ccc(cc3)O)c4ccc(cc4)O)cccc2",null,"O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21","O=C1c2c(C(O1)(c3ccc(cc3)O)c4ccc(cc4)O)cccc2"]
[412,"77-21-4",{"$nulls":3},"CCC1(c2ccccc2)CCC(=O)NC1=O","CCC1(C(NC(CC1)=O)=O)c2ccccc2",{"$nulls":4},"CCC1(c2ccccc2)CCC(=O)NC1=O","CCC1(C(NC(CC1)=O)=O)c2ccccc2"]
[413,"77-26-9","C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CC(C)C",null,"C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CC(C)C",null,"C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CC(C)C",null,"C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CC(C)C"]
[414,"77-27-0","C=CCC1(C(C)CCC)C(=O)NC(=S)NC1=O","C=CCC1(C(NC(NC1=O)=S)=O)C(C)CCC",null,"C=CCC1(C(C)CCC)C(=O)NC(=S)NC1=O","C=CCC1(C(NC(NC1=O)=S)=O)C(C)CCC",null,"C=CCC1(C(C)CCC)C(=O)NC(=S)NC1=O","C=CCC1(C(NC(NC1=O)=S)=O)C(C)CCC",null,"C=CCC1(C(C)CCC)C(=O)NC(=S)NC1=O","C=CCC1(C(NC(NC1=O)=S)=O)C(C)CCC"]
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[481,"79-83-4","CC(C)(CO)C(O)C(=O)NCCC(=O)O","CC(C)(CO)C(O)C(=O)NCCC(=O)O",null,"CC(C)(CO)C(O)C(=O)NCCC(=O)O","CC(C)(CO)C(O)C(=O)NCCC(=O)O",null,"CC(C)(CO)C(O)C(=O)NCCC(=O)O","CC(C)(CO)C(O)C(=O)NCCC(=O)O",null,"CC(C)(CO)C(O)C(=O)NCCC(=O)O","CC(C)(CO)C(O)C(=O)NCCC(=O)O"]
[482,"79-91-4","CC1(C)OCCC1C(=O)O","CC1(C(CCO1)C(=O)O)C",null,"CC1(C)OC(=O)CC1C(=O)[O-]","CC1(C(CC(O1)=O)C(=O)O)C"]
[483,"79-92-5","C=C1C2CCC(C2)C1(C)C","C=C1C(C2CCC1C2)(C)C",null,"C=C1C2CCC(C2)C1(C)C","C=C1C(C2CCC1C2)(C)C",null,"C=C1C2CCC(C2)C1(C)C","C=C1C(C2CCC1C2)(C)C",null,"C=C1C2CCC(C2)C1(C)C","C=C1C(C2CCC1C2)(C)C"]
[484,"80-02-4","CC(O)Nc1ccccc1S(=O)(=O)c1ccc(N)cc1","CC(O)Nc1c(cccc1)S(=O)(=O)c2ccc(cc2)N",null,"Nc1ccc(S(=O)(=O)c2ccc(NCCO)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)NCCO",null,"Nc1ccc(S(=O)(=O)c2ccc(NCCO)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)NCCO",null,"Nc1ccc(S(=O)(=O)c2ccc(NCCO)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)NCCO"]
[485,"80-05-7","CC(C)(c1ccc(O)cc1)c1ccc(O)cc1","CC(C)(c1ccc(cc1)O)c2ccc(cc2)O",null,"CC(C)(c1ccc(O)cc1)c1ccc(O)cc1","CC(C)(c1ccc(cc1)O)c2ccc(cc2)O",null,"CC(C)(c1ccc(O)cc1)c1ccc(O)cc1","CC(C)(c1ccc(cc1)O)c2ccc(cc2)O",null,"CC(C)(c1ccc(O)cc1)c1ccc(O)cc1","CC(C)(c1ccc(cc1)O)c2ccc(cc2)O"]
[486,"80-08-0",{"$nulls":3},"Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N",{"$nulls":4},"Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N"]
[487,"80-15-9","CC(C)c1ccccc1","CC(C)c1ccccc1","O[O-](1)","CC(C)(OO)c1ccccc1","CC(C)(OO)c1ccccc1",null,"CC(C)(OO)c1ccccc1","CC(C)(OO)c1ccccc1",null,"CC(C)(OO)c1ccccc1","CC(C)(OO)c1ccccc1"]
[488,"80-18-2","COS(=O)(=O)c1ccccc1","COS(=O)(=O)c1ccccc1",null,"COS(=O)(=O)c1ccccc1","COS(=O)(=O)c1ccccc1",null,"COS(=O)(=O)c1ccccc1","COS(=O)(=O)c1ccccc1",null,"COS(=O)(=O)c1ccccc1","COS(=O)(=O)c1ccccc1"]
[489,"80-32-0","Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nnc(cc2)Cl",null,"Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nnc(cc2)Cl",null,"Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nnc(cc2)Cl",null,"Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nnc(cc2)Cl"]
[490,"80-34-2",{"$nulls":3},"CC(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CC(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},"CC(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CC(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N"]
[491,"80-35-3","COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1","COc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",null,"COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1","COc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",null,"COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1","COc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",null,"COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1","COc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N"]
[492,"80-43-3","CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1","CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2",null,"CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1","CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2",null,"CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1","CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2",null,"CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1","CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2"]
[493,"80-46-6","CCC(C)(C)c1ccc(O)cc1","CCC(C)(C)c1ccc(cc1)O",null,"CCC(C)(C)c1ccc(O)cc1","CCC(C)(C)c1ccc(cc1)O",null,"CCC(C)(C)c1ccc(O)cc1","CCC(C)(C)c1ccc(cc1)O",null,"CCC(C)(C)c1ccc(O)cc1","CCC(C)(C)c1ccc(cc1)O"]
[494,"80-53-5","CC1(O)CCC(C(C)(C)O)CC1","CC1(CCC(CC1)C(C)(C)O)O",null,"CC1(O)CCC(C(C)(C)O)CC1","CC1(CCC(CC1)C(C)(C)O)O",null,"CC1(O)CCC(C(C)(C)O)CC1","CC1(CCC(CC1)C(C)(C)O)O",null,"CC1(O)CCC(C(C)(C)O)CC1","CC1(CCC(CC1)C(C)(C)O)O"]
[495,"80-56-8","CC1=CCC2CC1C2(C)C","CC=1C2CC(CC1)C2(C)C",null,"CC1=CCC2CC1C2(C)C","CC=1C2CC(CC1)C2(C)C",null,"CC1=CCC2CC1C2(C)C","CC=1C2CC(CC1)C2(C)C",null,"CC1=CCC2CC1C2(C)C","CC=1C2CC(CC1)C2(C)C"]
[496,"80-58-0",{"$nulls":3},"CCC(Br)C(=O)O","CCC(Br)C(=O)O",{"$nulls":4},"CCC(Br)C(=O)O","CCC(Br)C(=O)O"]
[497,"80-60-4","CCC(N)C(=O)O","CCC(N)C(=O)O",null,"CCC(N)C(=O)O","CCC(N)C(=O)O",{"$nulls":4},"CCC(N)C(=O)O","CCC(N)C(=O)O"]
[498,"80-62-6","C=C(C)C(=O)OC","C=C(C)C(=O)OC",null,"C=C(C)C(=O)OC","C=C(C)C(=O)OC",null,"C=C(C)C(=O)OC","C=C(C)C(=O)OC",null,"C=C(C)C(=O)OC","C=C(C)C(=O)OC"]
[499,"80-68-2","CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O",null,"CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O",null,"CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O",null,"CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O"]
[500,"80-74-0","CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1","CC(=O)N(c1c(c(no1)C)C)S(=O)(=O)c2ccc(cc2)N",null,"CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1","CC(=O)N(c1c(c(no1)C)C)S(=O)(=O)c2ccc(cc2)N",{"$nulls":4},"CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1","CC(=O)N(c1c(c(no1)C)C)S(=O)(=O)c2ccc(cc2)N"]
[501,"80-75-1",{"$nulls":3},"CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C","CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C"]
[502,"80-77-3","CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1","CN1C(S(CCC1=O)(=O)=O)c2ccc(cc2)Cl",null,"CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1","CN1C(S(CCC1=O)(=O)=O)c2ccc(cc2)Cl",null,"CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1","CN1C(S(CCC1=O)(=O)=O)c2ccc(cc2)Cl",null,"CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1","CN1C(S(CCC1=O)(=O)=O)c2ccc(cc2)Cl"]
[503,"81-07-2",{"$nulls":3},"O=C1NS(=O)(=O)c2ccccc21","O=C1c2c(S(N1)(=O)=O)cccc2",null,"O=C1NS(=O)(=O)c2ccccc21","O=C1c2c(S(N1)(=O)=O)cccc2",null,"O=C1NS(=O)(=O)c2ccccc21","O=C1c2c(S(N1)(=O)=O)cccc2"]
[504,"81-13-0","CC(C)(CO)C(O)C(=O)NCCCO","CC(C)(CO)C(O)C(=O)NCCCO",null,"CC(C)(CO)C(O)C(=O)NCCCO","CC(C)(CO)C(O)C(=O)NCCCO",null,"CC(C)(CO)C(O)C(=O)NCCCO","CC(C)(CO)C(O)C(=O)NCCCO",null,"CC(C)(CO)C(O)C(=O)NCCCO","CC(C)(CO)C(O)C(=O)NCCCO"]
[505,"81-14-1","CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C","CC(=O)c1c(c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C",null,"CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C","CC(=O)c1c(c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C",null,"CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C","CC(=O)c1c(c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C",null,"CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C","CC(=O)c1c(c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C"]
[506,"81-23-2","CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3=O)CC(=O)CC4)C)CC2=O)C",null,"CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3=O)CC(=O)CC4)C)CC2=O)C",null,"CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3=O)CC(=O)CC4)C)CC2=O)C",null,"CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3=O)CC(=O)CC4)C)CC2=O)C"]
[507,"81-25-4","CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C",null,"CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C",null,"CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C",null,"CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C"]
[508,"81-54-9","O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21","O=C1c2c(C(c3c1cccc3)=O)c(O)c(O)cc2O",null,"O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21","O=C1c2c(C(c3c1cccc3)=O)c(O)c(O)cc2O",null,"O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21","O=C1c2c(C(c3c1cccc3)=O)c(O)c(O)cc2O",null,"O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21","O=C1c2c(C(c3c1cccc3)=O)c(O)c(O)cc2O"]
[509,"81-81-2","CC(=O)CC(c1ccccc1)c1c(O)oc2ccccc2c1=O","CC(=O)CC(c1ccccc1)c2c(c3c(oc2O)cccc3)=O",null,"CC(=O)CC(c1ccccc1)c1c(O)oc2ccccc2c1=O","CC(=O)CC(c1ccccc1)c2c(c3c(oc2O)cccc3)=O",null,"CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O","CC(=O)CC(c1ccccc1)c2c(oc3c(c2O)cccc3)=O",null,"CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O","CC(=O)CC(c1ccccc1)c2c(oc3c(c2O)cccc3)=O"]
[510,"81-82-3","CC(=O)CC(c1ccc(Cl)cc1)c1c(O)oc2ccccc2c1=O","CC(=O)CC(c1ccc(cc1)Cl)c2c(c3c(oc2O)cccc3)=O",null,"CC(=O)CC(c1ccc(Cl)cc1)c1c(O)oc2ccccc2c1=O","CC(=O)CC(c1ccc(cc1)Cl)c2c(c3c(oc2O)cccc3)=O",null,"CC(=O)CC(c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O","CC(=O)CC(c1ccc(cc1)Cl)c2c(oc3c(c2O)cccc3)=O",null,"CC(=O)CC(c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O","CC(=O)CC(c1ccc(cc1)Cl)c2c(oc3c(c2O)cccc3)=O"]
[511,"81-90-3",{"$nulls":3},"O=C(O)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1","O=C(O)c1c(cccc1)C(c2ccc(cc2)O)c3ccc(cc3)O",null,"O=C(O)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1","O=C(O)c1c(cccc1)C(c2ccc(cc2)O)c3ccc(cc3)O",null,"O=C(O)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1","O=C(O)c1c(cccc1)C(c2ccc(cc2)O)c3ccc(cc3)O"]
[512,"82-02-0","COc1c2occc2c(OC)c2c(=O)cc(C)oc12","COc1c2c(c(c3c1occ3)OC)c(=O)cc(C)o2",null,"COc1c2occc2c(OC)c2c(=O)cc(C)oc12","COc1c2c(c(c3c1occ3)OC)c(=O)cc(C)o2",null,"COc1c2occc2c(OC)c2c(=O)cc(C)oc12","COc1c2c(c(c3c1occ3)OC)c(=O)cc(C)o2",null,"COc1c2occc2c(OC)c2c(=O)cc(C)oc12","COc1c2c(c(c3c1occ3)OC)c(=O)cc(C)o2"]
[513,"82-28-0","Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O","Cc1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)N",null,"Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O","Cc1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)N",null,"Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O","Cc1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)N",null,"Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O","Cc1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)N"]
[514,"82-48-4","O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2c1cccc2S(=O)(=O)O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)c(ccc2)S(=O)(=O)O",null,"O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2c1cccc2S(=O)(=O)O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)c(ccc2)S(=O)(=O)O",null,"O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2c1cccc2S(=O)(=O)O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)c(ccc2)S(=O)(=O)O",null,"O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2c1cccc2S(=O)(=O)O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)c(ccc2)S(=O)(=O)O"]
[515,"82-66-6","O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccccc4",null,"O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccccc4","[Na+](1)","O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccccc4",null,"O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccccc4"]
[516,"82-68-8","O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",null,"O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",null,"O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",null,"O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl"]
[517,"82-71-3","O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O","O=[N+]([O-])c1c(c(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])O",null,"O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O","O=[N+]([O-])c1c(c(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])O",null,"O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O","O=[N+]([O-])c1c(c(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])O",null,"O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O","O=[N+]([O-])c1c(c(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])O"]
[518,"82-92-8","CN1CCN(C(c2ccccc2)c2ccccc2)CC1","CN1CCN(CC1)C(c2ccccc2)c3ccccc3",null,"CN1CCN(C(c2ccccc2)c2ccccc2)CC1","CN1CCN(CC1)C(c2ccccc2)c3ccccc3",null,"CN1CCN(C(c2ccccc2)c2ccccc2)CC1","CN1CCN(CC1)C(c2ccccc2)c3ccccc3",null,"CN1CCN(C(c2ccccc2)c2ccccc2)CC1","CN1CCN(CC1)C(c2ccccc2)c3ccccc3"]
[519,"83-07-8","Cc1c(N)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1N)=O)-c2ccccc2)C",null,"Cc1c(N)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1N)=O)-c2ccccc2)C",null,"Cc1c(N)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1N)=O)-c2ccccc2)C"]
[520,"83-26-1","CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O","CC(C)(C)C(=O)C1C(c2c(C1=O)cccc2)=O",null,"CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O","CC(C)(C)C(=O)C1C(c2c(C1=O)cccc2)=O",null,"CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O","CC(C)(C)C(=O)C1C(c2c(C1=O)cccc2)=O",null,"CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O","CC(C)(C)C(=O)C1C(c2c(C1=O)cccc2)=O"]
[521,"83-32-9","c1cc2c3c(cccc3c1)CC2","c1cc2c3c(c1)CCc3ccc2",null,"c1cc2c3c(cccc3c1)CC2","c1cc2c3c(c1)CCc3ccc2",null,"c1cc2c3c(cccc3c1)CC2","c1cc2c3c(c1)CCc3ccc2",null,"c1cc2c3c(cccc3c1)CC2","c1cc2c3c(c1)CCc3ccc2"]
[522,"83-34-1","Cc1c[nH]c2ccccc12","Cc1c2c([nH]c1)cccc2",null,"Cc1c[nH]c2ccccc12","Cc1c2c([nH]c1)cccc2",null,"Cc1c[nH]c2ccccc12","Cc1c2c([nH]c1)cccc2",null,"Cc1c[nH]c2ccccc12","Cc1c2c([nH]c1)cccc2"]
[523,"83-40-9","Cc1cccc(C(=O)O)c1O","Cc1c(c(ccc1)C(=O)O)O",null,"Cc1cccc(C(=O)O)c1O","Cc1c(c(ccc1)C(=O)O)O",null,"Cc1cccc(C(=O)O)c1O","Cc1c(c(ccc1)C(=O)O)O",null,"Cc1cccc(C(=O)O)c1O","Cc1c(c(ccc1)C(=O)O)O"]
[524,"83-43-2","CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12","CC1C=2C(C3C(C1)C4C(CC3O)(C(CC4)(O)C(=O)CO)C)(C)C=CC(=O)C2",null,"CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12","CC1C=2C(C3C(C1)C4C(CC3O)(C(CC4)(O)C(=O)CO)C)(C)C=CC(=O)C2",null,"CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12","CC1C=2C(C3C(C1)C4C(CC3O)(C(CC4)(O)C(=O)CO)C)(C)C=CC(=O)C2",null,"CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12","CC1C=2C(C3C(C1)C4C(CC3O)(C(CC4)(O)C(=O)CO)C)(C)C=CC(=O)C2"]
[525,"83-44-3","CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C",null,"CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C",null,"CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C",null,"CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C"]
[526,"83-49-8","CC(CCC(=O)O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(C(C3)O)CC(O)CC4)C)CC2)C",null,"CC(CCC(=O)[O-])C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(C(C3)O)CC(O)CC4)C)CC2)C","[Na+](1)"]
[527,"83-54-5","Cn1ccc(=O)c2ccccc21","Cn1c2c(c(cc1)=O)cccc2",null,"Cn1ccc(=O)c2ccccc21","Cn1c2c(c(cc1)=O)cccc2",null,"Cn1ccc(=O)c2ccccc21","Cn1c2c(c(cc1)=O)cccc2",null,"Cn1ccc(=O)c2ccccc21","Cn1c2c(c(cc1)=O)cccc2"]
[528,"83-56-7","Oc1cccc2c(O)cccc12","Oc1c2c(ccc1)c(O)ccc2",null,"Oc1cccc2c(O)cccc12","Oc1c2c(ccc1)c(O)ccc2",null,"Oc1cccc2c(O)cccc12","Oc1c2c(ccc1)c(O)ccc2",null,"Oc1cccc2c(O)cccc12","Oc1c2c(ccc1)c(O)ccc2"]
[529,"83-67-0","Cn1cnc2c1c(=O)[nH]c(=O)n2C","Cn1c2c(nc1)n(c([nH]c2=O)=O)C",null,"Cn1cnc2c1c(=O)[nH]c(=O)n2C","Cn1c2c(nc1)n(c([nH]c2=O)=O)C",null,"Cn1cnc2c1c(=O)[nH]c(=O)n2C","Cn1c2c(nc1)n(c([nH]c2=O)=O)C",null,"Cn1cnc2c1c(=O)[nH]c(=O)n2C","Cn1c2c(nc1)n(c([nH]c2=O)=O)C"]
[530,"83-79-4","C=C(C)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1","C=C(C)C1Oc2c(C1)c3c(cc2)C(C4C(O3)COc5c4cc(c(c5)OC)OC)=O",null,"C=C(C)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1","C=C(C)C1Oc2c(C1)c3c(cc2)C(C4C(O3)COc5c4cc(c(c5)OC)OC)=O",null,"C=C(C)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1","C=C(C)C1Oc2c(C1)c3c(cc2)C(C4C(O3)COc5c4cc(c(c5)OC)OC)=O",null,"C=C(C)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1","C=C(C)C1Oc2c(C1)c3c(cc2)C(C4C(O3)COc5c4cc(c(c5)OC)OC)=O"]
[531,"83-86-3","O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O","O=P(O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O",null,"O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O","O=P(O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O",null,"O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O","O=P(O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O",null,"O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O","O=P(O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O"]
[532,"83-88-5","Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C","Cc1c(cc2c(c1)nc3-c(nc([nH]c3=O)=O)n2CC(O)C(O)C(O)CO)C",null,"Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C","Cc1c(cc2c(c1)nc3-c(nc([nH]c3=O)=O)n2CC(O)C(O)C(O)CO)C",null,"Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C","Cc1c(cc2c(c1)nc3-c(nc([nH]c3=O)=O)n2CC(O)C(O)C(O)CO)C",null,"Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C","Cc1c(cc2c(c1)nc3-c(nc([nH]c3=O)=O)n2CC(O)C(O)C(O)CO)C"]
[533,"84-06-0","CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1","CC(=O)OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",null,"CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1","CC(=O)OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3","[Cl-](2), [H+](2)","CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1","CC(=O)OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",null,"CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1","CC(=O)OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3"]
[534,"84-11-7","O=C1C(=O)c2ccccc2-c2ccccc21","O=C1c2c(-c3c(C1=O)cccc3)cccc2",null,"O=C1C(=O)c2ccccc2-c2ccccc21","O=C1c2c(-c3c(C1=O)cccc3)cccc2",null,"O=C1C(=O)c2ccccc2-c2ccccc21","O=C1c2c(-c3c(C1=O)cccc3)cccc2",null,"O=C1C(=O)c2ccccc2-c2ccccc21","O=C1c2c(-c3c(C1=O)cccc3)cccc2"]
[535,"84-15-1","c1ccc(-c2ccccc2-c2ccccc2)cc1","c1ccc(cc1)-c2c(cccc2)-c3ccccc3",null,"c1ccc(-c2ccccc2-c2ccccc2)cc1","c1ccc(cc1)-c2c(cccc2)-c3ccccc3",null,"c1ccc(-c2ccccc2-c2ccccc2)cc1","c1ccc(cc1)-c2c(cccc2)-c3ccccc3",null,"c1ccc(-c2ccccc2-c2ccccc2)cc1","c1ccc(cc1)-c2c(cccc2)-c3ccccc3"]
[536,"84-16-2","CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1","CCC(c1ccc(cc1)O)C(CC)c2ccc(cc2)O",null,"CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1","CCC(c1ccc(cc1)O)C(CC)c2ccc(cc2)O",null,"CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1","CCC(c1ccc(cc1)O)C(CC)c2ccc(cc2)O",null,"CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1","CCC(c1ccc(cc1)O)C(CC)c2ccc(cc2)O"]
[537,"84-17-3","CC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1","CC=C(C(=CC)c1ccc(cc1)O)c2ccc(cc2)O",null,"CC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1","CC=C(C(=CC)c1ccc(cc1)O)c2ccc(cc2)O",null,"CC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1","CC=C(C(=CC)c1ccc(cc1)O)c2ccc(cc2)O",null,"CC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1","CC=C(C(=CC)c1ccc(cc1)O)c2ccc(cc2)O"]
[538,"84-21-9","Nc1ncnc2c1ncn2C1OC(CO)C(OP(=O)(O)O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O",null,"Nc1ncnc2c1ncn2C1OC(CO)C(OP(=O)(O)O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O",null,"Nc1ncnc2c1ncn2C1OC(CO)C(OP(=O)(O)O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O",null,"Nc1ncnc2c1ncn2C1OC(CO)C(OP(=O)(O)O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O"]
[539,"84-31-1","C=CC1CN2CCC1CC2C(=O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(=O)c3c4c(ncc3)ccc(OC)c4",null,"C=CC1CN2CCC1CC2C(=O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(=O)c3c4c(ncc3)ccc(OC)c4",null,"C=CC1CN2CCC1CC2C(=O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(=O)c3c4c(ncc3)ccc(OC)c4"]
[540,"84-60-6","O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21","O=C1c2c(C(c3c1ccc(O)c3)=O)ccc(O)c2",null,"O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21","O=C1c2c(C(c3c1ccc(O)c3)=O)ccc(O)c2",{"$nulls":4},"O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21","O=C1c2c(C(c3c1ccc(O)c3)=O)ccc(O)c2"]
[541,"84-61-7","O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1","O=C(OC1CCCCC1)c2c(cccc2)C(=O)OC3CCCCC3",null,"O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1","O=C(OC1CCCCC1)c2c(cccc2)C(=O)OC3CCCCC3",null,"O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1","O=C(OC1CCCCC1)c2c(cccc2)C(=O)OC3CCCCC3",null,"O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1","O=C(OC1CCCCC1)c2c(cccc2)C(=O)OC3CCCCC3"]
[542,"84-62-8","O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1","O=C(Oc1ccccc1)c2c(cccc2)C(=O)Oc3ccccc3",null,"O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1","O=C(Oc1ccccc1)c2c(cccc2)C(=O)Oc3ccccc3",null,"O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1","O=C(Oc1ccccc1)c2c(cccc2)C(=O)Oc3ccccc3",null,"O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1","O=C(Oc1ccccc1)c2c(cccc2)C(=O)Oc3ccccc3"]
[543,"84-65-1","O=C1c2ccccc2C(=O)c2ccccc21","O=C1c2c(C(c3c1cccc3)=O)cccc2",null,"O=C1c2ccccc2C(=O)c2ccccc21","O=C1c2c(C(c3c1cccc3)=O)cccc2",null,"O=C1c2ccccc2C(=O)c2ccccc21","O=C1c2c(C(c3c1cccc3)=O)cccc2",null,"O=C1c2ccccc2C(=O)c2ccccc21","O=C1c2c(C(c3c1cccc3)=O)cccc2"]
[544,"84-66-2","CCOC(=O)c1ccccc1C(=O)OCC","CCOC(=O)c1c(cccc1)C(=O)OCC",null,"CCOC(=O)c1ccccc1C(=O)OCC","CCOC(=O)c1c(cccc1)C(=O)OCC",null,"CCOC(=O)c1ccccc1C(=O)OCC","CCOC(=O)c1c(cccc1)C(=O)OCC",null,"CCOC(=O)c1ccccc1C(=O)OCC","CCOC(=O)c1c(cccc1)C(=O)OCC"]
[545,"84-69-5","CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C","CC(C)COC(=O)c1c(cccc1)C(=O)OCC(C)C",null,"CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C","CC(C)COC(=O)c1c(cccc1)C(=O)OCC(C)C",null,"CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C","CC(C)COC(=O)c1c(cccc1)C(=O)OCC(C)C",null,"CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C","CC(C)COC(=O)c1c(cccc1)C(=O)OCC(C)C"]
[546,"84-74-2","CCCCOC(=O)c1ccccc1C(=O)OCCCC","CCCCOC(=O)c1c(cccc1)C(=O)OCCCC",null,"CCCCOC(=O)c1ccccc1C(=O)OCCCC","CCCCOC(=O)c1c(cccc1)C(=O)OCCCC",null,"CCCCOC(=O)c1ccccc1C(=O)OCCCC","CCCCOC(=O)c1c(cccc1)C(=O)OCCCC",null,"CCCCOC(=O)c1ccccc1C(=O)OCCCC","CCCCOC(=O)c1c(cccc1)C(=O)OCCCC"]
[547,"84-75-3","CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC","CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC",null,"CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC","CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC",null,"CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC","CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC",null,"CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC","CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC"]
[548,"84-77-5","CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC","CCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCCCC",null,"CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC","CCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCCCC",null,"CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC","CCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCCCC",null,"CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC","CCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCCCC"]
[549,"84-99-1","COc1c2c(cc3oc(=O)ccc13)OC(C)(C)C=C2","COc1c2c(cc3c1C=CC(O3)(C)C)oc(=O)cc2",null,"COc1c2c(cc3oc(=O)ccc13)OC(C)(C)C=C2","COc1c2c(cc3c1C=CC(O3)(C)C)oc(=O)cc2",null,"COc1c2c(cc3oc(=O)ccc13)OC(C)(C)C=C2","COc1c2c(cc3c1C=CC(O3)(C)C)oc(=O)cc2",null,"COc1c2c(cc3oc(=O)ccc13)OC(C)(C)C=C2","COc1c2c(cc3c1C=CC(O3)(C)C)oc(=O)cc2"]
[550,"85-00-7","c1cc[n+]2c(c1)-c1cccc[n+]1CC2","c1cc-2[n+](cc1)CC[n+]3c2cccc3","[Br-](2)","c1cc[n+]2c(c1)-c1cccc[n+]1CC2","c1cc-2[n+](cc1)CC[n+]3c2cccc3","[Br-](2)","c1cc[n+]2c(c1)-c1cccc[n+]1CC2","c1cc-2[n+](cc1)CC[n+]3c2cccc3","[Br-](2)","c1cc[n+]2c(c1)-c1cccc[n+]1CC2","c1cc-2[n+](cc1)CC[n+]3c2cccc3","[Br-](2)"]
[551,"85-01-8","c1ccc2c(c1)ccc1ccccc12","c1cc2c(cc1)c3c(cc2)cccc3",null,"c1ccc2c(c1)ccc1ccccc12","c1cc2c(cc1)c3c(cc2)cccc3",null,"c1ccc2c(c1)ccc1ccccc12","c1cc2c(cc1)c3c(cc2)cccc3",null,"c1ccc2c(c1)ccc1ccccc12","c1cc2c(cc1)c3c(cc2)cccc3"]
[552,"85-02-9","c1ccc2c(c1)ccc1ncccc12","c1cc2c(cc1)c3c(cc2)nccc3",null,"c1ccc2c(c1)ccc1ncccc12","c1cc2c(cc1)c3c(cc2)nccc3",null,"c1ccc2c(c1)ccc1ncccc12","c1cc2c(cc1)c3c(cc2)nccc3",null,"c1ccc2c(c1)ccc1ncccc12","c1cc2c(cc1)c3c(cc2)nccc3"]
[553,"85-18-7","Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O","Cn1c(n(c2c(c1=O)[nH]c(Cl)n2)C)=O",null,"Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O","Cn1c(n(c2c(c1=O)[nH]c(Cl)n2)C)=O",null,"Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O","Cn1c(n(c2c(c1=O)[nH]c(Cl)n2)C)=O",null,"Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O","Cn1c(n(c2c(c1=O)[nH]c(Cl)n2)C)=O"]
[554,"85-34-7","O=C(O)Cc1c(Cl)ccc(Cl)c1Cl","O=C(O)Cc1c(c(ccc1Cl)Cl)Cl",null,"O=C([O-])Cc1c(Cl)ccc(Cl)c1Cl","O=C(O)Cc1c(c(ccc1Cl)Cl)Cl","[Na+](1)","O=C(O)Cc1c(Cl)ccc(Cl)c1Cl","O=C(O)Cc1c(c(ccc1Cl)Cl)Cl",null,"O=C(O)Cc1c(Cl)ccc(Cl)c1Cl","O=C(O)Cc1c(c(ccc1Cl)Cl)Cl"]
[555,"85-38-1","O=C(O)c1ccc([N+](=O)[O-])cc1O","O=C(O)c1c(cc(cc1)[N+](=O)[O-])O",null,"O=C(O)c1cccc([N+](=O)[O-])c1O","O=C(O)c1c(c(ccc1)[N+](=O)[O-])O",null,"O=C(O)c1ccc([N+](=O)[O-])cc1O","O=C(O)c1c(cc(cc1)[N+](=O)[O-])O",null,"O=C(O)c1cccc([N+](=O)[O-])c1O","O=C(O)c1c(c(ccc1)[N+](=O)[O-])O"]
[556,"85-41-6","O=C1NC(=O)c2ccccc21","O=C1c2c(C(N1)=O)cccc2",null,"O=C1NC(=O)c2ccccc21","O=C1c2c(C(N1)=O)cccc2",null,"O=C1NC(=O)c2ccccc21","O=C1c2c(C(N1)=O)cccc2",null,"O=C1NC(=O)c2ccccc21","O=C1c2c(C(N1)=O)cccc2"]
[557,"85-44-9","O=C1OC(=O)c2ccccc21","O=C1c2c(C(O1)=O)cccc2",null,"O=C1OC(=O)c2ccccc21","O=C1c2c(C(O1)=O)cccc2",null,"O=C1OC(=O)c2ccccc21","O=C1c2c(C(O1)=O)cccc2",null,"O=C1OC(=O)c2ccccc21","O=C1c2c(C(O1)=O)cccc2"]
[558,"85-56-3","O=C(O)c1ccccc1C(=O)c1ccc(Cl)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Cl",null,"O=C(O)c1ccccc1C(=O)c1ccc(Cl)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Cl",null,"O=C(O)c1ccccc1C(=O)c1ccc(Cl)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Cl",null,"O=C(O)c1ccccc1C(=O)c1ccc(Cl)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Cl"]
[559,"85-57-4","O=C(O)c1ccccc1C(=O)c1ccc(O)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)O",null,"O=C(O)c1ccccc1C(=O)c1ccc(O)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)O",null,"O=C(O)c1ccccc1C(=O)c1ccc(O)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)O",null,"O=C(O)c1ccccc1C(=O)c1ccc(O)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)O"]
[560,"85-68-7","CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1","CCCCOC(=O)c1c(cccc1)C(=O)OCc2ccccc2",null,"CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1","CCCCOC(=O)c1c(cccc1)C(=O)OCc2ccccc2",null,"CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1","CCCCOC(=O)c1c(cccc1)C(=O)OCc2ccccc2",null,"CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1","CCCCOC(=O)c1c(cccc1)C(=O)OCc2ccccc2"]
[561,"85-72-3","Cc1cccc(NC(=O)c2ccccc2C(=O)O)c1","Cc1cc(ccc1)NC(=O)c2c(cccc2)C(=O)O",null,"Cc1cccc(NC(=O)c2ccccc2C(=O)O)c1","Cc1cc(ccc1)NC(=O)c2c(cccc2)C(=O)O",null,"Cc1cccc(NC(=O)c2ccccc2C(=O)O)c1","Cc1cc(ccc1)NC(=O)c2c(cccc2)C(=O)O",null,"Cc1cccc(NC(=O)c2ccccc2C(=O)O)c1","Cc1cc(ccc1)NC(=O)c2c(cccc2)C(=O)O"]
[562,"85-73-4","O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1","O=C(O)c1c(cccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3sccn3",null,"O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1","O=C(O)c1c(cccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3sccn3",null,"O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1","O=C(O)c1c(cccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3sccn3",null,"O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1","O=C(O)c1c(cccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3sccn3"]
[563,"85-74-5","Nc1c(S(=O)(=O)O)ccc2ccc(S(=O)(=O)O)cc12","Nc1c2c(ccc1S(=O)(=O)O)ccc(S(=O)(=O)O)c2",null,"Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)ccc12","Nc1c2c(c(cc1)S(=O)(=O)O)cc(S(=O)(=O)O)cc2",null,"Nc1c(S(=O)(=O)O)ccc2ccc(S(=O)(=O)O)cc12","Nc1c2c(ccc1S(=O)(=O)O)ccc(S(=O)(=O)O)c2",null,"Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)ccc12","Nc1c2c(c(cc1)S(=O)(=O)O)cc(S(=O)(=O)O)cc2"]
[564,"85-75-6","Nc1ccc(S(=O)(=O)O)c2ccc(S(=O)(=O)O)cc12","Nc1c2c(c(cc1)S(=O)(=O)O)ccc(S(=O)(=O)O)c2",null,"Nc1ccc(S(=O)(=O)O)c2ccc(S(=O)(=O)O)cc12","Nc1c2c(c(cc1)S(=O)(=O)O)ccc(S(=O)(=O)O)c2",null,"Nc1ccc(S(=O)(=O)O)c2ccc(S(=O)(=O)O)cc12","Nc1c2c(c(cc1)S(=O)(=O)O)ccc(S(=O)(=O)O)c2",null,"Nc1ccc(S(=O)(=O)O)c2ccc(S(=O)(=O)O)cc12","Nc1c2c(c(cc1)S(=O)(=O)O)ccc(S(=O)(=O)O)c2"]
[565,"85-79-0","CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1","CCCCOc1nc2c(c(c1)C(=O)NCCN(CC)CC)cccc2",null,"CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1","CCCCOc1nc2c(c(c1)C(=O)NCCN(CC)CC)cccc2",null,"CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1","CCCCOc1nc2c(c(c1)C(=O)NCCN(CC)CC)cccc2",null,"CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1","CCCCOc1nc2c(c(c1)C(=O)NCCN(CC)CC)cccc2"]
[566,"85-84-7","Nc1ccc2ccccc2c1N=Nc1ccccc1","Nc1c(c2c(cc1)cccc2)N=Nc3ccccc3",null,"Nc1ccc2ccccc2c1N=Nc1ccccc1","Nc1c(c2c(cc1)cccc2)N=Nc3ccccc3",{"$nulls":4},"Nc1ccc2ccccc2c1N=Nc1ccccc1","Nc1c(c2c(cc1)cccc2)N=Nc3ccccc3"]
[567,"86-29-3","N#CC(c1ccccc1)c1ccccc1","N#CC(c1ccccc1)c2ccccc2",null,"N#CC(c1ccccc1)c1ccccc1","N#CC(c1ccccc1)c2ccccc2",null,"N#CC(c1ccccc1)c1ccccc1","N#CC(c1ccccc1)c2ccccc2",null,"N#CC(c1ccccc1)c1ccccc1","N#CC(c1ccccc1)c2ccccc2"]
[568,"86-30-6","O=NN(c1ccccc1)c1ccccc1","O=NN(c1ccccc1)c2ccccc2",null,"O=NN(c1ccccc1)c1ccccc1","O=NN(c1ccccc1)c2ccccc2",null,"O=NN(c1ccccc1)c1ccccc1","O=NN(c1ccccc1)c2ccccc2",null,"O=NN(c1ccccc1)c1ccccc1","O=NN(c1ccccc1)c2ccccc2"]
[569,"86-50-0",{"$nulls":3},"COP(=S)(OC)SCn1nnc2ccccc2c1=O","COP(=S)(OC)SCn1c(c2c(nn1)cccc2)=O"]
[570,"86-55-5",{"$nulls":3},"O=C(O)c1cccc2ccccc12","O=C(O)c1c2c(ccc1)cccc2",null,"O=C(O)c1cccc2ccccc12","O=C(O)c1c2c(ccc1)cccc2",null,"O=C(O)c1cccc2ccccc12","O=C(O)c1c2c(ccc1)cccc2"]
[571,"86-57-7","O=[N+]([O-])c1cccc2ccccc12","O=[N+]([O-])c1c2c(ccc1)cccc2",null,"O=[N+]([O-])c1cccc2ccccc12","O=[N+]([O-])c1c2c(ccc1)cccc2",null,"O=[N+]([O-])c1cccc2ccccc12","O=[N+]([O-])c1c2c(ccc1)cccc2",null,"O=[N+]([O-])c1cccc2ccccc12","O=[N+]([O-])c1c2c(ccc1)cccc2"]
[572,"86-59-9","O=C(O)c1cccc2cccnc12","O=C(O)c1c2c(ccc1)cccn2",null,"O=C(O)c1cccc2cccnc12","O=C(O)c1c2c(ccc1)cccn2",null,"O=C(O)c1cccc2cccnc12","O=C(O)c1c2c(ccc1)cccn2",null,"O=C(O)c1cccc2cccnc12","O=C(O)c1c2c(ccc1)cccn2"]
[573,"86-65-7","Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1","Nc1cc2c(cc1)cc(S(=O)(=O)O)cc2S(=O)(=O)O",{"$nulls":4},"Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1","Nc1cc2c(cc1)cc(S(=O)(=O)O)cc2S(=O)(=O)O",null,"Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1","Nc1cc2c(cc1)cc(S(=O)(=O)O)cc2S(=O)(=O)O"]
[574,"86-73-7","c1ccc2c(c1)Cc1ccccc1-2","c1cc2c(cc1)-c3c(C2)cccc3",null,"c1ccc2c(c1)Cc1ccccc1-2","c1cc2c(cc1)-c3c(C2)cccc3",null,"c1ccc2c(c1)Cc1ccccc1-2","c1cc2c(cc1)-c3c(C2)cccc3",null,"c1ccc2c(c1)Cc1ccccc1-2","c1cc2c(cc1)-c3c(C2)cccc3"]
[575,"86-74-8","c1ccc2c(c1)[nH]c1ccccc12","c1cc2c(cc1)c3c([nH]2)cccc3",null,"c1ccc2c(c1)[nH]c1ccccc12","c1cc2c(cc1)c3c([nH]2)cccc3",null,"c1ccc2c(c1)[nH]c1ccccc12","c1cc2c(cc1)c3c([nH]2)cccc3",null,"c1ccc2c(c1)[nH]c1ccccc12","c1cc2c(cc1)c3c([nH]2)cccc3"]
[576,"86-81-7","COc1cc(C=O)cc(OC)c1OC","COc1c(c(cc(c1)C=O)OC)OC",null,"COc1cc(C=O)cc(OC)c1OC","COc1c(c(cc(c1)C=O)OC)OC",null,"COc1cc(C=O)cc(OC)c1OC","COc1c(c(cc(c1)C=O)OC)OC",null,"COc1cc(C=O)cc(OC)c1OC","COc1c(c(cc(c1)C=O)OC)OC"]
[577,"86-86-2","NC(=O)Cc1cccc2ccccc12","NC(=O)Cc1c2c(ccc1)cccc2",null,"NC(=O)Cc1cccc2ccccc12","NC(=O)Cc1c2c(ccc1)cccc2",null,"NC(=O)Cc1cccc2ccccc12","NC(=O)Cc1c2c(ccc1)cccc2",null,"NC(=O)Cc1cccc2ccccc12","NC(=O)Cc1c2c(ccc1)cccc2"]
[578,"86-87-3","O=C(O)Cc1cccc2ccccc12","O=C(O)Cc1c2c(ccc1)cccc2",null,"O=C(O)Cc1cccc2ccccc12","O=C(O)Cc1c2c(ccc1)cccc2",null,"O=C(O)Cc1cccc2ccccc12","O=C(O)Cc1c2c(ccc1)cccc2",null,"O=C(O)Cc1cccc2ccccc12","O=C(O)Cc1c2c(ccc1)cccc2"]
[579,"86-88-4",{"$nulls":3},"NC(=S)Nc1cccc2ccccc12","NC(=S)Nc1c2c(ccc1)cccc2",{"$nulls":4},"NC(=S)Nc1cccc2ccccc12","NC(=S)Nc1c2c(ccc1)cccc2"]
[580,"86-96-4","Cc1ccc2c(=O)[nH]c(=O)[nH]c2c1","Cc1cc2c(cc1)c(=O)[nH]c(=O)[nH]2",null,"O=c1[nH]c(=O)c2ccccc2[nH]1","O=c1[nH]c2c(c([nH]1)=O)cccc2",{"$nulls":4},"O=c1[nH]c(=O)c2ccccc2[nH]1","O=c1[nH]c2c(c([nH]1)=O)cccc2"]
[581,"87-00-3","CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3",null,"CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3",null,"CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3",null,"CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3"]
[582,"87-17-2","O=C(Nc1ccccc1)c1ccccc1O","O=C(Nc1ccccc1)c2c(cccc2)O",null,"O=C(Nc1ccccc1)c1ccccc1O","O=C(Nc1ccccc1)c2c(cccc2)O",null,"O=C(Nc1ccccc1)c1ccccc1O","O=C(Nc1ccccc1)c2c(cccc2)O",null,"O=C(Nc1ccccc1)c1ccccc1O","O=C(Nc1ccccc1)c2c(cccc2)O"]
[583,"87-20-7","CC(C)CCOC(=O)c1ccccc1O","CC(C)CCOC(=O)c1c(cccc1)O",null,"CC(C)CCOC(=O)c1ccccc1O","CC(C)CCOC(=O)c1c(cccc1)O",null,"CC(C)CCOC(=O)c1ccccc1O","CC(C)CCOC(=O)c1c(cccc1)O",null,"CC(C)CCOC(=O)c1ccccc1O","CC(C)CCOC(=O)c1c(cccc1)O"]
[584,"87-28-5","O=C(OCCO)c1ccccc1O","O=C(OCCO)c1c(cccc1)O",null,"O=C(OCCO)c1ccccc1O","O=C(OCCO)c1c(cccc1)O",null,"O=C(OCCO)c1ccccc1O","O=C(OCCO)c1c(cccc1)O",null,"O=C(OCCO)c1ccccc1O","O=C(OCCO)c1c(cccc1)O"]
[585,"87-32-1","CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O","CC(=O)NC(Cc1c2c([nH]c1)cccc2)C(=O)O",null,"CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-]","CC(=O)NC(Cc1c2c([nH]c1)cccc2)C(=O)O",{"$nulls":4},"CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O","CC(=O)NC(Cc1c2c([nH]c1)cccc2)C(=O)O"]
[586,"87-33-2","O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12","O=[N+]([O-])OC1C2C(OC1)C(O[N+](=O)[O-])CO2",null,"O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12","O=[N+]([O-])OC1C2C(OC1)C(O[N+](=O)[O-])CO2",null,"O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12","O=[N+]([O-])OC1C2C(OC1)C(O[N+](=O)[O-])CO2",null,"O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12","O=[N+]([O-])OC1C2C(OC1)C(O[N+](=O)[O-])CO2"]
[587,"87-40-1","COc1c(Cl)cc(Cl)cc1Cl","COc1c(cc(cc1Cl)Cl)Cl",null,"COc1c(Cl)cc(Cl)cc1Cl","COc1c(cc(cc1Cl)Cl)Cl",null,"COc1c(Cl)cc(Cl)cc1Cl","COc1c(cc(cc1Cl)Cl)Cl",null,"COc1c(Cl)cc(Cl)cc1Cl","COc1c(cc(cc1Cl)Cl)Cl"]
[588,"87-42-3","Clc1ncnc2nc[nH]c12","Clc1c2c(ncn1)nc[nH]2",null,"Clc1ncnc2nc[nH]c12","Clc1c2c(ncn1)nc[nH]2"]
[589,"87-47-8","Cc1cc(OC(=O)N(C)C)n(-c2ccccc2)n1","Cc1nn(c(c1)OC(=O)N(C)C)-c2ccccc2",null,"Cc1cc(OC(=O)N(C)C)n(-c2ccccc2)n1","Cc1nn(c(c1)OC(=O)N(C)C)-c2ccccc2",null,"Cc1cc(OC(=O)N(C)C)n(-c2ccccc2)n1","Cc1nn(c(c1)OC(=O)N(C)C)-c2ccccc2",null,"Cc1cc(OC(=O)N(C)C)n(-c2ccccc2)n1","Cc1nn(c(c1)OC(=O)N(C)C)-c2ccccc2"]
[590,"87-51-4","O=C(O)Cc1c[nH]c2ccccc12","O=C(O)Cc1c2c([nH]c1)cccc2",null,"O=C(O)Cc1c[nH]c2ccccc12","O=C(O)Cc1c2c([nH]c1)cccc2",null,"O=C(O)Cc1c[nH]c2ccccc12","O=C(O)Cc1c2c([nH]c1)cccc2",null,"O=C(O)Cc1c[nH]c2ccccc12","O=C(O)Cc1c2c([nH]c1)cccc2"]
[591,"87-61-6","Clc1cccc(Cl)c1Cl","Clc1c(c(ccc1)Cl)Cl",null,"Clc1cccc(Cl)c1Cl","Clc1c(c(ccc1)Cl)Cl",null,"Clc1cccc(Cl)c1Cl","Clc1c(c(ccc1)Cl)Cl",null,"Clc1cccc(Cl)c1Cl","Clc1c(c(ccc1)Cl)Cl"]
[592,"87-62-7","Cc1cccc(C)c1N","Cc1c(c(ccc1)C)N",null,"Cc1cccc(C)c1N","Cc1c(c(ccc1)C)N",null,"Cc1cccc(C)c1N","Cc1c(c(ccc1)C)N",null,"Cc1cccc(C)c1N","Cc1c(c(ccc1)C)N"]
[593,"87-64-9","Cc1cccc(Cl)c1O","Cc1c(c(ccc1)Cl)O",null,"Cc1cccc(Cl)c1O","Cc1c(c(ccc1)Cl)O",null,"Cc1cccc(Cl)c1O","Cc1c(c(ccc1)Cl)O",null,"Cc1cccc(Cl)c1O","Cc1c(c(ccc1)Cl)O"]
[594,"87-65-0","Oc1c(Cl)cccc1Cl","Oc1c(cccc1Cl)Cl",null,"Oc1c(Cl)cccc1Cl","Oc1c(cccc1Cl)Cl",null,"Oc1c(Cl)cccc1Cl","Oc1c(cccc1Cl)Cl",null,"Oc1c(Cl)cccc1Cl","Oc1c(cccc1Cl)Cl"]
[595,"87-66-1","Oc1cccc(O)c1O","Oc1c(c(ccc1)O)O",null,"Oc1cccc(O)c1O","Oc1c(c(ccc1)O)O",null,"Oc1cccc(O)c1O","Oc1c(c(ccc1)O)O",null,"Oc1cccc(O)c1O","Oc1c(c(ccc1)O)O"]
[596,"87-68-3","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl",null,"ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl",null,"ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl",null,"ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl"]
[597,"87-69-4","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",null,"O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",null,"O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",null,"O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O"]
[598,"87-79-6","O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO",null,"O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO",null,"O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO",null,"O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO"]
[599,"87-82-1","Brc1c(Br)c(Br)c(Br)c(Br)c1Br","Brc1c(c(c(c(c1Br)Br)Br)Br)Br",null,"Brc1c(Br)c(Br)c(Br)c(Br)c1Br","Brc1c(c(c(c(c1Br)Br)Br)Br)Br",null,"Brc1c(Br)c(Br)c(Br)c(Br)c1Br","Brc1c(c(c(c(c1Br)Br)Br)Br)Br",null,"Brc1c(Br)c(Br)c(Br)c(Br)c1Br","Brc1c(c(c(c(c1Br)Br)Br)Br)Br"]
[600,"87-85-4","Cc1c(C)c(C)c(C)c(C)c1C","Cc1c(c(c(c(c1C)C)C)C)C",null,"Cc1c(C)c(C)c(C)c(C)c1C","Cc1c(c(c(c(c1C)C)C)C)C",null,"Cc1c(C)c(C)c(C)c(C)c1C","Cc1c(c(c(c(c1C)C)C)C)C",null,"Cc1c(C)c(C)c(C)c(C)c1C","Cc1c(c(c(c(c1C)C)C)C)C"]
[601,"87-86-5","Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",null,"Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",null,"Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl"]
[602,"87-88-7","O=C1C(O)=C(Cl)C(=O)C(O)=C1Cl","O=C1C(=C(C(C(=C1O)Cl)=O)O)Cl",null,"O=C1C(O)=C(Cl)C(=O)C(O)=C1Cl","O=C1C(=C(C(C(=C1O)Cl)=O)O)Cl",null,"O=C1C(O)=C(Cl)C(=O)C(O)=C1Cl","O=C1C(=C(C(C(=C1O)Cl)=O)O)Cl",null,"O=C1C(O)=C(Cl)C(=O)C(O)=C1Cl","O=C1C(=C(C(C(=C1O)Cl)=O)O)Cl"]
[603,"87-89-8","OC1C(O)C(O)C(O)C(O)C1O","OC1C(C(C(C(C1O)O)O)O)O",null,"OC1C(O)C(O)C(O)C(O)C1O","OC1C(C(C(C(C1O)O)O)O)O",null,"OC1C(O)C(O)C(O)C(O)C1O","OC1C(C(C(C(C1O)O)O)O)O",null,"OC1C(O)C(O)C(O)C(O)C1O","OC1C(C(C(C(C1O)O)O)O)O"]
[604,"87-90-1","O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl","O=c1n(c(n(c(n1Cl)=O)Cl)=O)Cl",null,"O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl","O=c1n(c(n(c(n1Cl)=O)Cl)=O)Cl",null,"O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl","O=c1n(c(n(c(n1Cl)=O)Cl)=O)Cl",null,"O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl","O=c1n(c(n(c(n1Cl)=O)Cl)=O)Cl"]
[605,"87-99-0","OCC(O)C(O)C(O)CO","OCC(O)C(O)C(O)CO",null,"OCC(O)C(O)C(O)CO","OCC(O)C(O)C(O)CO",null,"OCC(O)C(O)C(O)CO","OCC(O)C(O)C(O)CO",null,"OCC(O)C(O)C(O)CO","OCC(O)C(O)C(O)CO"]
[606,"88-04-0","Cc1cc(O)cc(C)c1Cl","Cc1c(c(cc(c1)O)C)Cl",null,"Cc1cc(O)cc(C)c1Cl","Cc1c(c(cc(c1)O)C)Cl",null,"Cc1cc(O)cc(C)c1Cl","Cc1c(c(cc(c1)O)C)Cl",null,"Cc1cc(O)cc(C)c1Cl","Cc1c(c(cc(c1)O)C)Cl"]
[607,"88-06-2","Oc1c(Cl)cc(Cl)cc1Cl","Oc1c(cc(cc1Cl)Cl)Cl",null,"Oc1c(Cl)cc(Cl)cc1Cl","Oc1c(cc(cc1Cl)Cl)Cl",null,"Oc1c(Cl)cc(Cl)cc1Cl","Oc1c(cc(cc1Cl)Cl)Cl",null,"Oc1c(Cl)cc(Cl)cc1Cl","Oc1c(cc(cc1Cl)Cl)Cl"]
[608,"88-09-5","CCC(CC)C(=O)O","CCC(CC)C(=O)O",null,"CCC(CC)C(=O)O","CCC(CC)C(=O)O",null,"CCC(CC)C(=O)O","CCC(CC)C(=O)O",null,"CCC(CC)C(=O)O","CCC(CC)C(=O)O"]
[609,"88-13-1","O=C(O)c1ccsc1","O=C(O)c1cscc1",null,"O=C(O)c1ccsc1","O=C(O)c1cscc1",null,"O=C(O)c1ccsc1","O=C(O)c1cscc1",null,"O=C(O)c1ccsc1","O=C(O)c1cscc1"]
[610,"88-14-2","O=C(O)c1ccco1","O=C(O)c1occc1",null,"O=C(O)c1ccco1","O=C(O)c1occc1",null,"O=C(O)c1ccco1","O=C(O)c1occc1",null,"O=C(O)c1ccco1","O=C(O)c1occc1"]
[611,"88-15-3","CC(=O)c1cccs1","CC(=O)c1sccc1",null,"CC(=O)c1cccs1","CC(=O)c1sccc1",null,"CC(=O)c1cccs1","CC(=O)c1sccc1",null,"CC(=O)c1cccs1","CC(=O)c1sccc1"]
[612,"88-18-6","CC(C)(C)Oc1ccccc1","CC(C)(C)Oc1ccccc1",null,"CC(C)(C)c1ccccc1O","CC(C)(C)c1c(cccc1)O",null,"CC(C)(C)c1ccccc1O","CC(C)(C)c1c(cccc1)O",null,"CC(C)(C)c1ccccc1O","CC(C)(C)c1c(cccc1)O"]
[613,"88-19-7","Cc1ccccc1S(N)(=O)=O","Cc1c(cccc1)S(N)(=O)=O",null,"Cc1ccccc1S(N)(=O)=O","Cc1c(cccc1)S(N)(=O)=O",null,"Cc1ccccc1S(N)(=O)=O","Cc1c(cccc1)S(N)(=O)=O",null,"Cc1ccccc1S(N)(=O)=O","Cc1c(cccc1)S(N)(=O)=O"]
[614,"88-30-2","O=[N+]([O-])c1ccc(O)cc1C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)O)C(F)(F)F",null,"O=[N+]([O-])c1ccc(O)cc1C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)O)C(F)(F)F",null,"O=[N+]([O-])c1ccc(O)cc1C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)O)C(F)(F)F"]
[615,"88-44-8","Cc1ccc(N)c(S(=O)(=O)O)c1","Cc1cc(c(cc1)N)S(=O)(=O)O",null,"Cc1ccc(N)c(S(=O)(=O)O)c1","Cc1cc(c(cc1)N)S(=O)(=O)O",null,"Cc1ccc(N)c(S(=O)(=O)O)c1","Cc1cc(c(cc1)N)S(=O)(=O)O",null,"Cc1ccc(N)c(S(=O)(=O)O)c1","Cc1cc(c(cc1)N)S(=O)(=O)O"]
[616,"88-65-3","O=C(OBr)c1ccccc1","O=C(OBr)c1ccccc1",null,"O=C(O)c1ccccc1Br","O=C(O)c1c(cccc1)Br",null,"O=C(O)c1ccccc1Br","O=C(O)c1c(cccc1)Br",null,"O=C(O)c1ccccc1Br","O=C(O)c1c(cccc1)Br"]
[617,"88-67-5","O=C(O)c1ccccc1I","O=C(O)c1c(cccc1)I",null,"O=C(O)c1ccccc1I","O=C(O)c1c(cccc1)I",null,"O=C(O)c1ccccc1I","O=C(O)c1c(cccc1)I",null,"O=C(O)c1ccccc1I","O=C(O)c1c(cccc1)I"]
[618,"88-72-2","Cc1ccccc1[N+](=O)[O-]","Cc1c(cccc1)[N+](=O)[O-]",null,"Cc1ccccc1[N+](=O)[O-]","Cc1c(cccc1)[N+](=O)[O-]",null,"Cc1ccccc1[N+](=O)[O-]","Cc1c(cccc1)[N+](=O)[O-]",null,"Cc1ccccc1[N+](=O)[O-]","Cc1c(cccc1)[N+](=O)[O-]"]
[619,"88-73-3","O=[N+]([O-])c1ccccc1Cl","O=[N+]([O-])c1c(cccc1)Cl",null,"O=[N+]([O-])c1ccccc1Cl","O=[N+]([O-])c1c(cccc1)Cl",null,"O=[N+]([O-])c1ccccc1Cl","O=[N+]([O-])c1c(cccc1)Cl",null,"O=[N+]([O-])c1ccccc1Cl","O=[N+]([O-])c1c(cccc1)Cl"]
[620,"88-74-4","Nc1ccccc1[N+](=O)[O-]","Nc1c(cccc1)[N+](=O)[O-]",null,"Nc1ccccc1[N+](=O)[O-]","Nc1c(cccc1)[N+](=O)[O-]",null,"Nc1ccccc1[N+](=O)[O-]","Nc1c(cccc1)[N+](=O)[O-]",null,"Nc1ccccc1[N+](=O)[O-]","Nc1c(cccc1)[N+](=O)[O-]"]
[621,"88-75-5","O=[N+]([O-])c1ccccc1O","O=[N+]([O-])c1c(cccc1)O",null,"O=[N+]([O-])c1ccccc1O","O=[N+]([O-])c1c(cccc1)O",null,"O=[N+]([O-])c1ccccc1O","O=[N+]([O-])c1c(cccc1)O",null,"O=[N+]([O-])c1ccccc1O","O=[N+]([O-])c1c(cccc1)O"]
[622,"88-85-7","CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",null,"CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",null,"CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",null,"CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O"]
[623,"88-88-0","O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]",null,"O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]",null,"O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]",null,"O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]"]
[624,"88-89-1","O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]",null,"O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]",null,"O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]",null,"O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]"]
[625,"88-96-0","NC(=O)c1ccccc1C(N)=O","NC(=O)c1c(cccc1)C(N)=O",null,"NC(=O)c1ccccc1C(N)=O","NC(=O)c1c(cccc1)C(N)=O",null,"NC(=O)c1ccccc1C(N)=O","NC(=O)c1c(cccc1)C(N)=O",null,"NC(=O)c1ccccc1C(N)=O","NC(=O)c1c(cccc1)C(N)=O"]
[626,"88-99-3","O=C(O)c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(=O)O",null,"O=C(O)c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(=O)O",null,"O=C(O)c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(=O)O",null,"O=C(O)c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(=O)O"]
[627,"89-00-9","O=C(O)c1cccnc1C(=O)O","O=C(O)c1c(nccc1)C(=O)O",null,"O=C(O)c1cccnc1C(=O)O","O=C(O)c1c(nccc1)C(=O)O",null,"O=C(O)c1cccnc1C(=O)O","O=C(O)c1c(nccc1)C(=O)O",null,"O=C(O)c1cccnc1C(=O)O","O=C(O)c1c(nccc1)C(=O)O"]
[628,"89-05-4","O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O","O=C(O)c1c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O",null,"O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O","O=C(O)c1c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O",null,"O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O","O=C(O)c1c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O",null,"O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O","O=C(O)c1c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O"]
[629,"89-38-3","Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)cnc2[nH]1","Nc1[nH]c2c(c(n1)=O)nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cn2",null,"Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)cnc2[nH]1","Nc1[nH]c2c(c(n1)=O)nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cn2",null,"Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)cnc2[nH]1","Nc1[nH]c2c(c(n1)=O)nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cn2"]
[630,"89-39-4","COc1ccc(OC)c([N+](=O)[O-])c1","COc1cc(c(cc1)OC)[N+](=O)[O-]",null,"COc1ccc(OC)c([N+](=O)[O-])c1","COc1cc(c(cc1)OC)[N+](=O)[O-]",null,"COc1ccc(OC)c([N+](=O)[O-])c1","COc1cc(c(cc1)OC)[N+](=O)[O-]",null,"COc1ccc(OC)c([N+](=O)[O-])c1","COc1cc(c(cc1)OC)[N+](=O)[O-]"]
[631,"89-51-0","O=C(O)Cc1ccccc1C(=O)O","O=C(O)Cc1c(cccc1)C(=O)O",null,"O=C(O)Cc1ccccc1C(=O)O","O=C(O)Cc1c(cccc1)C(=O)O",null,"O=C(O)Cc1ccccc1C(=O)O","O=C(O)Cc1c(cccc1)C(=O)O",null,"O=C(O)Cc1ccccc1C(=O)O","O=C(O)Cc1c(cccc1)C(=O)O"]
[632,"89-56-5","Cc1ccc(O)c(C(=O)O)c1","Cc1cc(c(cc1)O)C(=O)O",null,"Cc1ccc(O)c(C(=O)O)c1","Cc1cc(c(cc1)O)C(=O)O",null,"Cc1ccc(O)c(C(=O)O)c1","Cc1cc(c(cc1)O)C(=O)O",null,"Cc1ccc(O)c(C(=O)O)c1","Cc1cc(c(cc1)O)C(=O)O"]
[633,"89-61-2","O=[N+]([O-])c1cc(Cl)ccc1Cl","O=[N+]([O-])c1c(ccc(c1)Cl)Cl",null,"O=[N+]([O-])c1cc(Cl)ccc1Cl","O=[N+]([O-])c1c(ccc(c1)Cl)Cl",null,"O=[N+]([O-])c1cc(Cl)ccc1Cl","O=[N+]([O-])c1c(ccc(c1)Cl)Cl",null,"O=[N+]([O-])c1cc(Cl)ccc1Cl","O=[N+]([O-])c1c(ccc(c1)Cl)Cl"]
[634,"89-63-4","Nc1ccc(Cl)cc1[N+](=O)[O-]","Nc1c(cc(cc1)Cl)[N+](=O)[O-]",null,"Nc1ccc(Cl)cc1[N+](=O)[O-]","Nc1c(cc(cc1)Cl)[N+](=O)[O-]",null,"Nc1ccc(Cl)cc1[N+](=O)[O-]","Nc1c(cc(cc1)Cl)[N+](=O)[O-]",null,"Nc1ccc(Cl)cc1[N+](=O)[O-]","Nc1c(cc(cc1)Cl)[N+](=O)[O-]"]
[635,"89-64-5","O=[N+]([O-])c1cc(Cl)ccc1O","O=[N+]([O-])c1c(ccc(c1)Cl)O",null,"O=[N+]([O-])c1cc(Cl)ccc1O","O=[N+]([O-])c1c(ccc(c1)Cl)O",null,"O=[N+]([O-])c1cc(Cl)ccc1O","O=[N+]([O-])c1c(ccc(c1)Cl)O",null,"O=[N+]([O-])c1cc(Cl)ccc1O","O=[N+]([O-])c1c(ccc(c1)Cl)O"]
[636,"89-65-6","O=C1C(O)=C(O)OC1C(O)CO","O=C1C(OC(=C1O)O)C(O)CO",null,"O=C1OC(C(O)CO)C(=O)[C-]1O","O=C1C(C(C(O1)C(O)CO)=O)O","[Na+](1)","O=C1OC(C(O)CO)C(O)=C1O","O=C1C(=C(C(O1)C(O)CO)O)O",null,"O=C1OC(C(O)CO)C(O)=C1O","O=C1C(=C(C(O1)C(O)CO)O)O"]
[637,"89-67-8","O=C1OC(C(O)C(O)CO)C(O)C1O","O=C1C(C(C(O1)C(O)C(O)CO)O)O",null,"O=C1OC(C(O)C(O)CO)C(O)C1O","O=C1C(C(C(O1)C(O)C(O)CO)O)O"]
[638,"89-68-9","Cc1ccc(C(C)C)c(O)c1Cl","Cc1c(c(c(cc1)C(C)C)O)Cl",null,"Cc1cc(O)c(C(C)C)cc1Cl","Cc1c(cc(c(c1)O)C(C)C)Cl",null,"Cc1cc(O)c(C(C)C)cc1Cl","Cc1c(cc(c(c1)O)C(C)C)Cl",null,"Cc1cc(O)c(C(C)C)cc1Cl","Cc1c(cc(c(c1)O)C(C)C)Cl"]
[639,"89-69-0","O=[N+]([O-])c1cc(Cl)c(Cl)cc1Cl","O=[N+]([O-])c1c(cc(c(c1)Cl)Cl)Cl",null,"O=[N+]([O-])c1cc(Cl)c(Cl)cc1Cl","O=[N+]([O-])c1c(cc(c(c1)Cl)Cl)Cl",null,"O=[N+]([O-])c1cc(Cl)c(Cl)cc1Cl","O=[N+]([O-])c1c(cc(c(c1)Cl)Cl)Cl",null,"O=[N+]([O-])c1cc(Cl)c(Cl)cc1Cl","O=[N+]([O-])c1c(cc(c(c1)Cl)Cl)Cl"]
[640,"89-78-1","CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O",null,"CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O",null,"CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O",null,"CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O"]
[641,"89-80-5",{"$nulls":3},"CC1CCC(C(C)C)C(=O)C1","CC1CC(C(CC1)C(C)C)=O",{"$nulls":4},"CC1CCC(C(C)C)C(=O)C1","CC1CC(C(CC1)C(C)C)=O"]
[642,"89-83-8","Cc1ccc(C(C)C)c(O)c1","Cc1cc(c(cc1)C(C)C)O",null,"Cc1ccc(C(C)C)c(O)c1","Cc1cc(c(cc1)C(C)C)O",null,"Cc1ccc(C(C)C)c(O)c1","Cc1cc(c(cc1)C(C)C)O",null,"Cc1ccc(C(C)C)c(O)c1","Cc1cc(c(cc1)C(C)C)O"]
[643,"89-86-1","O=C(O)c1ccc(O)cc1O","O=C(O)c1c(cc(cc1)O)O",null,"O=C(O)c1ccc(O)cc1O","O=C(O)c1c(cc(cc1)O)O",null,"O=C(O)c1ccc(O)cc1O","O=C(O)c1c(cc(cc1)O)O",null,"O=C(O)c1ccc(O)cc1O","O=C(O)c1c(cc(cc1)O)O"]
[644,"90-00-6","CCOc1ccccc1","CCOc1ccccc1",null,"CCc1ccccc1O","CCc1c(cccc1)O",null,"CCc1ccccc1O","CCc1c(cccc1)O",null,"CCc1ccccc1O","CCc1c(cccc1)O"]
[645,"90-01-7","OCc1ccccc1O","OCc1c(cccc1)O",null,"OCc1ccccc1O","OCc1c(cccc1)O",null,"OCc1ccccc1O","OCc1c(cccc1)O",null,"OCc1ccccc1O","OCc1c(cccc1)O"]
[646,"90-02-8","O=Cc1ccccc1O","O=Cc1c(cccc1)O",null,"O=Cc1ccccc1O","O=Cc1c(cccc1)O",null,"O=Cc1ccccc1O","O=Cc1c(cccc1)O",null,"O=Cc1ccccc1O","O=Cc1c(cccc1)O"]
[647,"90-04-0","COc1ccccc1N","COc1c(cccc1)N",null,"COc1ccccc1N","COc1c(cccc1)N",null,"COc1ccccc1N","COc1c(cccc1)N",null,"COc1ccccc1N","COc1c(cccc1)N"]
[648,"90-05-1","COc1ccccc1O","COc1c(cccc1)O",null,"COc1ccccc1O","COc1c(cccc1)O",null,"COc1ccccc1O","COc1c(cccc1)O",null,"COc1ccccc1O","COc1c(cccc1)O"]
[649,"90-11-9","Brc1cccc2ccccc12","Brc1c2c(ccc1)cccc2",null,"Brc1cccc2ccccc12","Brc1c2c(ccc1)cccc2",null,"Brc1cccc2ccccc12","Brc1c2c(ccc1)cccc2",null,"Brc1cccc2ccccc12","Brc1c2c(ccc1)cccc2"]
[650,"90-12-0","Cc1cccc2ccccc12","Cc1c2c(ccc1)cccc2",null,"Cc1cccc2ccccc12","Cc1c2c(ccc1)cccc2",null,"Cc1cccc2ccccc12","Cc1c2c(ccc1)cccc2",null,"Cc1cccc2ccccc12","Cc1c2c(ccc1)cccc2"]
[651,"90-13-1","Clc1cccc2ccccc12","Clc1c2c(ccc1)cccc2",null,"Clc1cccc2ccccc12","Clc1c2c(ccc1)cccc2",null,"Clc1cccc2ccccc12","Clc1c2c(ccc1)cccc2",null,"Clc1cccc2ccccc12","Clc1c2c(ccc1)cccc2"]
[652,"90-14-2","Ic1cccc2ccccc12","Ic1c2c(ccc1)cccc2",null,"Ic1cccc2ccccc12","Ic1c2c(ccc1)cccc2",null,"Ic1cccc2ccccc12","Ic1c2c(ccc1)cccc2",null,"Ic1cccc2ccccc12","Ic1c2c(ccc1)cccc2"]
[653,"90-15-3","Oc1cccc2ccccc12","Oc1c2c(ccc1)cccc2",null,"Oc1cccc2ccccc12","Oc1c2c(ccc1)cccc2",null,"Oc1cccc2ccccc12","Oc1c2c(ccc1)cccc2",null,"Oc1cccc2ccccc12","Oc1c2c(ccc1)cccc2"]
[654,"90-30-2","c1ccc(Nc2cccc3ccccc23)cc1","c1ccc(cc1)Nc2c3c(ccc2)cccc3",null,"c1ccc(Nc2cccc3ccccc23)cc1","c1ccc(cc1)Nc2c3c(ccc2)cccc3",null,"c1ccc(Nc2cccc3ccccc23)cc1","c1ccc(cc1)Nc2c3c(ccc2)cccc3",null,"c1ccc(Nc2cccc3ccccc23)cc1","c1ccc(cc1)Nc2c3c(ccc2)cccc3"]
[655,"90-39-1","C1CCN2CC3CC(CN4CCCCC34)C2C1","C1CC2N(CC1)CC3C4N(CC2C3)CCCC4",null,"C1CCN2CC3CC(CN4CCCCC34)C2C1","C1CC2N(CC1)CC3C4N(CC2C3)CCCC4",null,"C1CCN2CC3CC(CC2C1)N1CCCCC31","C1CC2N(CC1)CC3C4N(C(C3)C2)CCCC4",null,"C1CCN2CC3CC(CC2C1)N1CCCCC31","C1CC2N(CC1)CC3C4N(C(C3)C2)CCCC4"]
[656,"90-43-7","Oc1ccccc1-c1ccccc1","Oc1c(cccc1)-c2ccccc2",null,"Oc1ccccc1-c1ccccc1","Oc1c(cccc1)-c2ccccc2",null,"Oc1ccccc1-c1ccccc1","Oc1c(cccc1)-c2ccccc2",null,"Oc1ccccc1-c1ccccc1","Oc1c(cccc1)-c2ccccc2"]
[657,"90-64-2",{"$nulls":3},"O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",null,"O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",null,"O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1"]
[658,"90-65-3","C=C(C)C(=O)C(=CC(=O)O)OC","C=C(C)C(=O)C(=CC(=O)O)OC",{"$nulls":4},"C=C(C)C(=O)C(=CC(=O)O)OC","C=C(C)C(=O)C(=CC(=O)O)OC",null,"C=C(C)C(=O)C(=CC(=O)O)OC","C=C(C)C(=O)C(=CC(=O)O)OC"]
[659,"90-80-2","O=C1OC(CO)C(O)C(O)C1O","O=C1C(C(C(C(O1)CO)O)O)O",null,"O=C1OC(CO)C(O)C(O)C1O","O=C1C(C(C(C(O1)CO)O)O)O",null,"O=C1OC(CO)C(O)C(O)C1O","O=C1C(C(C(C(O1)CO)O)O)O",null,"O=C1OC(CO)C(O)C(O)C1O","O=C1C(C(C(C(O1)CO)O)O)O"]
[660,"90-94-8","CN(C)C1(N(C)C)C=CC(C(=O)c2ccccc2)=CC1","CN(C)C1(CC=C(C=C1)C(=O)c2ccccc2)N(C)C",null,"CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1","CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C",{"$nulls":4},"CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1","CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C"]
[661,"91-01-0","OC(c1ccccc1)c1ccccc1","OC(c1ccccc1)c2ccccc2",null,"OC(c1ccccc1)c1ccccc1","OC(c1ccccc1)c2ccccc2",null,"OC(c1ccccc1)c1ccccc1","OC(c1ccccc1)c2ccccc2",null,"OC(c1ccccc1)c1ccccc1","OC(c1ccccc1)c2ccccc2"]
[662,"91-10-1","COc1cccc(OC)c1O","COc1c(c(ccc1)OC)O",null,"COc1cccc(OC)c1O","COc1c(c(ccc1)OC)O",null,"COc1cccc(OC)c1O","COc1c(c(ccc1)OC)O",null,"COc1cccc(OC)c1O","COc1c(c(ccc1)OC)O"]
[663,"91-15-6","N#Cc1ccccc1C#N","N#Cc1c(cccc1)C#N",null,"N#Cc1ccccc1C#N","N#Cc1c(cccc1)C#N",null,"N#Cc1ccccc1C#N","N#Cc1c(cccc1)C#N",null,"N#Cc1ccccc1C#N","N#Cc1c(cccc1)C#N"]
[664,"91-17-8","C1CCC2CCCCC2C1","C1CC2C(CC1)CCCC2",null,"C1CCC2CCCCC2C1","C1CC2C(CC1)CCCC2",null,"C1CCC2CCCCC2C1","C1CC2C(CC1)CCCC2",null,"C1CCC2CCCCC2C1","C1CC2C(CC1)CCCC2"]
[665,"91-18-9","c1cnc2ncncc2n1","c1nc2c(nc1)ncnc2",null,"c1cnc2ncncc2n1","c1nc2c(nc1)ncnc2",null,"c1cnc2ncncc2n1","c1nc2c(nc1)ncnc2",null,"c1cnc2ncncc2n1","c1nc2c(nc1)ncnc2"]
[666,"91-19-0","c1ccc2nccnc2c1","c1cc2c(cc1)nccn2",null,"c1ccc2nccnc2c1","c1cc2c(cc1)nccn2",null,"c1ccc2nccnc2c1","c1cc2c(cc1)nccn2",null,"c1ccc2nccnc2c1","c1cc2c(cc1)nccn2"]
[667,"91-20-3","c1ccc2ccccc2c1","c1cc2c(cc1)cccc2",null,"c1ccc2ccccc2c1","c1cc2c(cc1)cccc2",null,"c1ccc2ccccc2c1","c1cc2c(cc1)cccc2",null,"c1ccc2ccccc2c1","c1cc2c(cc1)cccc2"]
[668,"91-22-5","c1ccc2ncccc2c1","c1cc2c(cc1)nccc2",null,"c1ccc2ncccc2c1","c1cc2c(cc1)nccc2",null,"c1ccc2ncccc2c1","c1cc2c(cc1)nccc2",null,"c1ccc2ncccc2c1","c1cc2c(cc1)nccc2"]
[669,"91-23-6","COc1ccccc1[N+](=O)[O-]","COc1c(cccc1)[N+](=O)[O-]",null,"COc1ccccc1[N+](=O)[O-]","COc1c(cccc1)[N+](=O)[O-]",null,"COc1ccccc1[N+](=O)[O-]","COc1c(cccc1)[N+](=O)[O-]",null,"COc1ccccc1[N+](=O)[O-]","COc1c(cccc1)[N+](=O)[O-]"]
[670,"91-57-6","Cc1ccc2ccccc2c1","Cc1cc2c(cc1)cccc2",null,"Cc1ccc2ccccc2c1","Cc1cc2c(cc1)cccc2",null,"Cc1ccc2ccccc2c1","Cc1cc2c(cc1)cccc2",null,"Cc1ccc2ccccc2c1","Cc1cc2c(cc1)cccc2"]
[671,"91-58-7","Clc1ccc2ccccc2c1","Clc1cc2c(cc1)cccc2",null,"Clc1ccc2ccccc2c1","Clc1cc2c(cc1)cccc2",null,"Clc1ccc2ccccc2c1","Clc1cc2c(cc1)cccc2",null,"Clc1ccc2ccccc2c1","Clc1cc2c(cc1)cccc2"]
[672,"91-59-8","Nc1ccc2ccccc2c1","Nc1cc2c(cc1)cccc2",null,"Nc1ccc2ccccc2c1","Nc1cc2c(cc1)cccc2",null,"Nc1ccc2ccccc2c1","Nc1cc2c(cc1)cccc2",null,"Nc1ccc2ccccc2c1","Nc1cc2c(cc1)cccc2"]
[673,"91-64-5","O=c1ccc2ccccc2o1","O=c1oc2c(cc1)cccc2",null,"O=c1ccc2ccccc2o1","O=c1oc2c(cc1)cccc2",null,"O=c1ccc2ccccc2o1","O=c1oc2c(cc1)cccc2",null,"O=c1ccc2ccccc2o1","O=c1oc2c(cc1)cccc2"]
[674,"91-66-7","CCN(CC)c1ccccc1","CCN(CC)c1ccccc1",null,"CCN(CC)c1ccccc1","CCN(CC)c1ccccc1",null,"CCN(CC)c1ccccc1","CCN(CC)c1ccccc1",null,"CCN(CC)c1ccccc1","CCN(CC)c1ccccc1"]
[675,"91-75-8","c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1","c1ccc(cc1)CN(CC=2NCCN2)c3ccccc3",null,"c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1","c1ccc(cc1)CN(CC=2NCCN2)c3ccccc3","[Cl-](1), [H+](1)","c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1","c1ccc(cc1)CN(CC=2NCCN2)c3ccccc3",null,"c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1","c1ccc(cc1)CN(CC=2NCCN2)c3ccccc3"]
[676,"91-76-9","Nc1nc(N)nc(-c2ccccc2)n1","Nc1nc(nc(n1)N)-c2ccccc2",null,"Nc1nc(N)nc(-c2ccccc2)n1","Nc1nc(nc(n1)N)-c2ccccc2",null,"Nc1nc(N)nc(-c2ccccc2)n1","Nc1nc(nc(n1)N)-c2ccccc2",null,"Nc1nc(N)nc(-c2ccccc2)n1","Nc1nc(nc(n1)N)-c2ccccc2"]
[677,"91-79-2","CN(C)CCN(Cc1ccsc1)c1ccccn1","CN(C)CCN(Cc1cscc1)c2ncccc2",null,"CN(C)CCN(Cc1ccsc1)c1ccccn1","CN(C)CCN(Cc1cscc1)c2ncccc2",null,"CN(C)CCN(Cc1ccsc1)c1ccccn1","CN(C)CCN(Cc1cscc1)c2ncccc2",null,"CN(C)CCN(Cc1ccsc1)c1ccccn1","CN(C)CCN(Cc1cscc1)c2ncccc2"]
[678,"91-80-5","CN(C)CCN(Cc1cccs1)c1ccccn1","CN(C)CCN(Cc1sccc1)c2ncccc2",null,"CN(C)CCN(Cc1cccs1)c1ccccn1","CN(C)CCN(Cc1sccc1)c2ncccc2",null,"CN(C)CCN(Cc1cccs1)c1ccccn1","CN(C)CCN(Cc1sccc1)c2ncccc2",null,"CN(C)CCN(Cc1cccs1)c1ccccn1","CN(C)CCN(Cc1sccc1)c2ncccc2"]
[679,"91-81-6","CN(C)CCN(Cc1ccccc1)c1ccccn1","CN(C)CCN(Cc1ccccc1)c2ncccc2",null,"CN(C)CCN(Cc1ccccc1)c1ccccn1","CN(C)CCN(Cc1ccccc1)c2ncccc2","[Cl-](1), [H+](1)","CN(C)CCN(Cc1ccccc1)c1ccccn1","CN(C)CCN(Cc1ccccc1)c2ncccc2",null,"CN(C)CCN(Cc1ccccc1)c1ccccn1","CN(C)CCN(Cc1ccccc1)c2ncccc2"]
[680,"91-94-1","Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl","Nc1c(cc(cc1)-c2cc(c(cc2)N)Cl)Cl",null,"Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl","Nc1c(cc(cc1)-c2cc(c(cc2)N)Cl)Cl",null,"Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl","Nc1c(cc(cc1)-c2cc(c(cc2)N)Cl)Cl",null,"Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl","Nc1c(cc(cc1)-c2cc(c(cc2)N)Cl)Cl"]
[681,"92-05-7","Oc1ccc(-c2ccccc2)cc1O","Oc1c(cc(cc1)-c2ccccc2)O",null,"Oc1ccc(-c2ccccc2)cc1O","Oc1c(cc(cc1)-c2ccccc2)O",null,"Oc1ccc(-c2ccccc2)cc1O","Oc1c(cc(cc1)-c2ccccc2)O",null,"Oc1ccc(-c2ccccc2)cc1O","Oc1c(cc(cc1)-c2ccccc2)O"]
[682,"92-06-8","c1ccc(-c2cccc(-c3ccccc3)c2)cc1","c1ccc(cc1)-c2cc(ccc2)-c3ccccc3",null,"c1ccc(-c2cccc(-c3ccccc3)c2)cc1","c1ccc(cc1)-c2cc(ccc2)-c3ccccc3",null,"c1ccc(-c2cccc(-c3ccccc3)c2)cc1","c1ccc(cc1)-c2cc(ccc2)-c3ccccc3",null,"c1ccc(-c2cccc(-c3ccccc3)c2)cc1","c1ccc(cc1)-c2cc(ccc2)-c3ccccc3"]
[683,"92-24-0","c1ccc2cc3cc4ccccc4cc3cc2c1","c1cc2c(cc1)cc3c(cc4c(c3)cccc4)c2",null,"c1ccc2cc3cc4ccccc4cc3cc2c1","c1cc2c(cc1)cc3c(cc4c(c3)cccc4)c2",null,"c1ccc2cc3cc4ccccc4cc3cc2c1","c1cc2c(cc1)cc3c(cc4c(c3)cccc4)c2",null,"c1ccc2cc3cc4ccccc4cc3cc2c1","c1cc2c(cc1)cc3c(cc4c(c3)cccc4)c2"]
[684,"92-31-9","Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N","Cc1c(cc2c(c1)nc3c(cc(cc3)N(C)C)[s+]2)N","[Cl-](1)","Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N","Cc1c(cc2c(c1)nc3c(cc(cc3)N(C)C)[s+]2)N","[Cl-](1)","Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N","Cc1c(cc2c(c1)nc3c(cc(cc3)N(C)C)[s+]2)N","[Cl-](1)","Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N","Cc1c(cc2c(c1)nc3c(cc(cc3)N(C)C)[s+]2)N","[Cl-](1)"]
[685,"92-44-4","Oc1cc2ccccc2cc1O","Oc1c(cc2c(c1)cccc2)O",null,"Oc1cc2ccccc2cc1O","Oc1c(cc2c(c1)cccc2)O",null,"Oc1cc2ccccc2cc1O","Oc1c(cc2c(c1)cccc2)O",null,"Oc1cc2ccccc2cc1O","Oc1c(cc2c(c1)cccc2)O"]
[686,"92-50-2","CCN(CCO)c1ccccc1","CCN(CCO)c1ccccc1",null,"CCN(CCO)c1ccccc1","CCN(CCO)c1ccccc1",null,"CCN(CCO)c1ccccc1","CCN(CCO)c1ccccc1",null,"CCN(CCO)c1ccccc1","CCN(CCO)c1ccccc1"]
[687,"92-52-4","c1ccc(-c2ccccc2)cc1","c1ccc(cc1)-c2ccccc2",null,"c1ccc(-c2ccccc2)cc1","c1ccc(cc1)-c2ccccc2",null,"c1ccc(-c2ccccc2)cc1","c1ccc(cc1)-c2ccccc2",null,"c1ccc(-c2ccccc2)cc1","c1ccc(cc1)-c2ccccc2"]
[688,"92-62-6","Nc1ccc2cc3ccc(N)cc3nc2c1","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2",null,"Nc1ccc2cc3ccc(N)cc3nc2c1","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2",null,"Nc1ccc2cc3ccc(N)cc3nc2c1","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2",null,"Nc1ccc2cc3ccc(N)cc3nc2c1","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2"]
[689,"92-66-0","Brc1ccc(-c2ccccc2)cc1","Brc1ccc(cc1)-c2ccccc2",null,"Brc1ccc(-c2ccccc2)cc1","Brc1ccc(cc1)-c2ccccc2",null,"Brc1ccc(-c2ccccc2)cc1","Brc1ccc(cc1)-c2ccccc2",null,"Brc1ccc(-c2ccccc2)cc1","Brc1ccc(cc1)-c2ccccc2"]
[690,"92-69-3","Oc1ccc(-c2ccccc2)cc1","Oc1ccc(cc1)-c2ccccc2",null,"Oc1ccc(-c2ccccc2)cc1","Oc1ccc(cc1)-c2ccccc2",null,"Oc1ccc(-c2ccccc2)cc1","Oc1ccc(cc1)-c2ccccc2",null,"Oc1ccc(-c2ccccc2)cc1","Oc1ccc(cc1)-c2ccccc2"]
[691,"92-84-2","c1ccc2c(c1)Nc1ccccc1S2","c1cc2c(cc1)Sc3c(N2)cccc3",null,"c1ccc2c(c1)Nc1ccccc1S2","c1cc2c(cc1)Sc3c(N2)cccc3",null,"c1ccc2c(c1)Nc1ccccc1S2","c1cc2c(cc1)Sc3c(N2)cccc3",null,"c1ccc2c(c1)Nc1ccccc1S2","c1cc2c(cc1)Sc3c(N2)cccc3"]
[692,"92-87-5","Nc1ccc(-c2ccc(N)cc2)cc1","Nc1ccc(cc1)-c2ccc(cc2)N",null,"Nc1ccc(-c2ccc(N)cc2)cc1","Nc1ccc(cc1)-c2ccc(cc2)N",null,"Nc1ccc(-c2ccc(N)cc2)cc1","Nc1ccc(cc1)-c2ccc(cc2)N",null,"Nc1ccc(-c2ccc(N)cc2)cc1","Nc1ccc(cc1)-c2ccc(cc2)N"]
[693,"92-91-1","CC(=O)c1ccc(-c2ccccc2)cc1","CC(=O)c1ccc(cc1)-c2ccccc2",null,"CC(=O)c1ccc(-c2ccccc2)cc1","CC(=O)c1ccc(cc1)-c2ccccc2",null,"CC(=O)c1ccc(-c2ccccc2)cc1","CC(=O)c1ccc(cc1)-c2ccccc2",null,"CC(=O)c1ccc(-c2ccccc2)cc1","CC(=O)c1ccc(cc1)-c2ccccc2"]
[694,"92-93-3","O=[N+]([O-])c1ccc(-c2ccccc2)cc1","O=[N+]([O-])c1ccc(cc1)-c2ccccc2",null,"O=[N+]([O-])c1ccc(-c2ccccc2)cc1","O=[N+]([O-])c1ccc(cc1)-c2ccccc2",null,"O=[N+]([O-])c1ccc(-c2ccccc2)cc1","O=[N+]([O-])c1ccc(cc1)-c2ccccc2",null,"O=[N+]([O-])c1ccc(-c2ccccc2)cc1","O=[N+]([O-])c1ccc(cc1)-c2ccccc2"]
[695,"92-94-4","c1ccc(-c2ccc(-c3ccccc3)cc2)cc1","c1ccc(cc1)-c2ccc(cc2)-c3ccccc3",null,"c1ccc(-c2ccc(-c3ccccc3)cc2)cc1","c1ccc(cc1)-c2ccc(cc2)-c3ccccc3",null,"c1ccc(-c2ccc(-c3ccccc3)cc2)cc1","c1ccc(cc1)-c2ccc(cc2)-c3ccccc3",null,"c1ccc(-c2ccc(-c3ccccc3)cc2)cc1","c1ccc(cc1)-c2ccc(cc2)-c3ccccc3"]
[696,"93-02-7","COc1ccc(OC)c(C=O)c1","COc1cc(c(cc1)OC)C=O",null,"COc1ccc(OC)c(C=O)c1","COc1cc(c(cc1)OC)C=O",null,"COc1ccc(OC)c(C=O)c1","COc1cc(c(cc1)OC)C=O",null,"COc1ccc(OC)c(C=O)c1","COc1cc(c(cc1)OC)C=O"]
[697,"93-07-2","COc1ccc(C(=O)O)cc1OC","COc1c(cc(cc1)C(=O)O)OC",null,"COc1ccc(C(=O)O)cc1OC","COc1c(cc(cc1)C(=O)O)OC",null,"COc1ccc(C(=O)O)cc1OC","COc1c(cc(cc1)C(=O)O)OC",null,"COc1ccc(C(=O)O)cc1OC","COc1c(cc(cc1)C(=O)O)OC"]
[698,"93-08-3","CC(=O)c1ccc2ccccc2c1","CC(=O)c1cc2c(cc1)cccc2",null,"CC(=O)c1ccc2ccccc2c1","CC(=O)c1cc2c(cc1)cccc2",null,"CC(=O)c1ccc2ccccc2c1","CC(=O)c1cc2c(cc1)cccc2",null,"CC(=O)c1ccc2ccccc2c1","CC(=O)c1cc2c(cc1)cccc2"]
[699,"93-09-4","O=C(O)c1ccc2ccccc2c1","O=C(O)c1cc2c(cc1)cccc2",null,"O=C(O)c1ccc2ccccc2c1","O=C(O)c1cc2c(cc1)cccc2",null,"O=C(O)c1ccc2ccccc2c1","O=C(O)c1cc2c(cc1)cccc2",null,"O=C(O)c1ccc2ccccc2c1","O=C(O)c1cc2c(cc1)cccc2"]
[700,"93-10-7","O=C(O)c1ccc2ccccc2n1","O=C(O)c1nc2c(cc1)cccc2",null,"O=C(O)c1ccc2ccccc2n1","O=C(O)c1nc2c(cc1)cccc2",null,"O=C(O)c1ccc2ccccc2n1","O=C(O)c1nc2c(cc1)cccc2",null,"O=C(O)c1ccc2ccccc2n1","O=C(O)c1nc2c(cc1)cccc2"]
[701,"93-14-1","COc1ccccc1OCC(O)CO","COc1c(cccc1)OCC(O)CO",null,"COc1ccccc1OCC(O)CO","COc1c(cccc1)OCC(O)CO",null,"COc1ccccc1OCC(O)CO","COc1c(cccc1)OCC(O)CO",null,"COc1ccccc1OCC(O)CO","COc1c(cccc1)OCC(O)CO"]
[702,"93-15-2","C=CCc1ccc(OC)c(OC)c1","C=CCc1cc(c(cc1)OC)OC",null,"C=CCc1ccc(OC)c(OC)c1","C=CCc1cc(c(cc1)OC)OC",null,"C=CCc1ccc(OC)c(OC)c1","C=CCc1cc(c(cc1)OC)OC",null,"C=CCc1ccc(OC)c(OC)c1","C=CCc1cc(c(cc1)OC)OC"]
[703,"93-37-8","Cc1ccc2ccc(C)nc2c1","Cc1cc2c(cc1)ccc(C)n2",null,"Cc1ccc2ccc(C)nc2c1","Cc1cc2c(cc1)ccc(C)n2",null,"Cc1ccc2ccc(C)nc2c1","Cc1cc2c(cc1)ccc(C)n2",null,"Cc1ccc2ccc(C)nc2c1","Cc1cc2c(cc1)ccc(C)n2"]
[704,"93-55-0","CCC(=O)c1ccccc1","CCC(=O)c1ccccc1",null,"CCC(=O)c1ccccc1","CCC(=O)c1ccccc1",null,"CCC(=O)c1ccccc1","CCC(=O)c1ccccc1",null,"CCC(=O)c1ccccc1","CCC(=O)c1ccccc1"]
[705,"93-58-3","COC(=O)c1ccccc1","COC(=O)c1ccccc1",null,"COC(=O)c1ccccc1","COC(=O)c1ccccc1",null,"COC(=O)c1ccccc1","COC(=O)c1ccccc1",null,"COC(=O)c1ccccc1","COC(=O)c1ccccc1"]
[706,"93-60-7",null,null,"COC(=O)c1cccnc1(1)",null,null,"COC(=O)c1cccnc1(1)",null,null,"COC(=O)c1cnccc1(1)",null,null,"COC(=O)c1cnccc1(1)",null,"Organic counterion"]
[707,"93-65-2","Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",null,"Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",null,"Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",null,"Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O"]
[708,"93-71-0","C=CCN(CC=C)C(=O)CCl","C=CCN(CC=C)C(=O)CCl",null,"C=CCN(CC=C)C(=O)CCl","C=CCN(CC=C)C(=O)CCl",null,"C=CCN(CC=C)C(=O)CCl","C=CCN(CC=C)C(=O)CCl",null,"C=CCN(CC=C)C(=O)CCl","C=CCN(CC=C)C(=O)CCl"]
[709,"93-72-1","CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O",null,"CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O",null,"CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O",null,"CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O"]
[710,"93-76-5","O=C(O)COc1cc(Cl)c(Cl)cc1Cl","O=C(O)COc1c(cc(c(c1)Cl)Cl)Cl",null,"O=C(O)COc1cc(Cl)c(Cl)cc1Cl","O=C(O)COc1c(cc(c(c1)Cl)Cl)Cl",null,"O=C(O)COc1cc(Cl)c(Cl)cc1Cl","O=C(O)COc1c(cc(c(c1)Cl)Cl)Cl",null,"O=C(O)COc1cc(Cl)c(Cl)cc1Cl","O=C(O)COc1c(cc(c(c1)Cl)Cl)Cl"]
[711,"93-80-1","O=C(O)CCCOc1cc(Cl)c(Cl)cc1Cl","O=C(O)CCCOc1c(cc(c(c1)Cl)Cl)Cl",null,"O=C(O)CCCOc1cc(Cl)c(Cl)cc1Cl","O=C(O)CCCOc1c(cc(c(c1)Cl)Cl)Cl",null,"O=C(O)CCCOc1cc(Cl)c(Cl)cc1Cl","O=C(O)CCCOc1c(cc(c(c1)Cl)Cl)Cl",null,"O=C(O)CCCOc1cc(Cl)c(Cl)cc1Cl","O=C(O)CCCOc1c(cc(c(c1)Cl)Cl)Cl"]
[712,"93-88-9",{"$nulls":3},"CNCC(C)c1ccccc1","CNCC(C)c1ccccc1"]
[713,"93-89-0","CCOC(=O)c1ccccc1","CCOC(=O)c1ccccc1",null,"CCOC(=O)c1ccccc1","CCOC(=O)c1ccccc1",null,"CCOC(=O)c1ccccc1","CCOC(=O)c1ccccc1",null,"CCOC(=O)c1ccccc1","CCOC(=O)c1ccccc1"]
[714,"93-91-4","CC(=O)CC(=O)c1ccccc1","CC(=O)CC(=O)c1ccccc1",null,"CC(=O)CC(=O)c1ccccc1","CC(=O)CC(=O)c1ccccc1",null,"CC(=O)CC(=O)c1ccccc1","CC(=O)CC(=O)c1ccccc1",null,"CC(=O)CC(=O)c1ccccc1","CC(=O)CC(=O)c1ccccc1"]
[715,"93-97-0","O=C(OC(=O)c1ccccc1)c1ccccc1","O=C(OC(=O)c1ccccc1)c2ccccc2",null,"O=C(OC(=O)c1ccccc1)c1ccccc1","O=C(OC(=O)c1ccccc1)c2ccccc2",null,"O=C(OC(=O)c1ccccc1)c1ccccc1","O=C(OC(=O)c1ccccc1)c2ccccc2",null,"O=C(OC(=O)c1ccccc1)c1ccccc1","O=C(OC(=O)c1ccccc1)c2ccccc2"]
[716,"94-09-7","CCOC(=O)c1ccc(N)cc1","CCOC(=O)c1ccc(cc1)N",null,"CCOC(=O)c1ccc(N)cc1","CCOC(=O)c1ccc(cc1)N",null,"CCOC(=O)c1ccc(N)cc1","CCOC(=O)c1ccc(cc1)N",null,"CCOC(=O)c1ccc(N)cc1","CCOC(=O)c1ccc(cc1)N"]
[717,"94-11-1","CC(C)OC(=O)COc1ccc(Cl)cc1Cl","CC(C)OC(=O)COc1c(cc(cc1)Cl)Cl",null,"CC(C)OC(=O)COc1ccc(Cl)cc1Cl","CC(C)OC(=O)COc1c(cc(cc1)Cl)Cl",null,"CC(C)OC(=O)COc1ccc(Cl)cc1Cl","CC(C)OC(=O)COc1c(cc(cc1)Cl)Cl",null,"CC(C)OC(=O)COc1ccc(Cl)cc1Cl","CC(C)OC(=O)COc1c(cc(cc1)Cl)Cl"]
[718,"94-12-2","CCCOC(=O)c1ccc(N)cc1","CCCOC(=O)c1ccc(cc1)N",null,"CCCOC(=O)c1ccc(N)cc1","CCCOC(=O)c1ccc(cc1)N",{"$nulls":4},"CCCOC(=O)c1ccc(N)cc1","CCCOC(=O)c1ccc(cc1)N"]
[719,"94-13-3",{"$nulls":3},"CCCOC(=O)c1ccc(O)cc1","CCCOC(=O)c1ccc(cc1)O",{"$nulls":4},"CCCOC(=O)c1ccc(O)cc1","CCCOC(=O)c1ccc(cc1)O"]
[720,"94-14-4","CC(C)COC(=O)c1ccc(N)cc1","CC(C)COC(=O)c1ccc(cc1)N",null,"CC(C)COC(=O)c1ccc(N)cc1","CC(C)COC(=O)c1ccc(cc1)N",null,"CC(C)COC(=O)c1ccc(N)cc1","CC(C)COC(=O)c1ccc(cc1)N",null,"CC(C)COC(=O)c1ccc(N)cc1","CC(C)COC(=O)c1ccc(cc1)N"]
[721,"94-19-9","CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",null,"CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","[Na+](1), [H-](1)","CCOc1nc(C(Cl)(Cl)Cl)ns1","CCOc1snc(n1)C(Cl)(Cl)Cl",null,"CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N"]
[722,"94-20-2","CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1","CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl",null,"CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1","CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl",null,"CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1","CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl",null,"CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1","CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl"]
[723,"94-23-5","CCOc1ccc(C(=O)OCCN(CC)CC)cc1","CCOc1ccc(cc1)C(=O)OCCN(CC)CC",null,"CCOc1ccc(C(=O)OCCN(CC)CC)cc1","CCOc1ccc(cc1)C(=O)OCCN(CC)CC",null,"CCOc1ccc(C(=O)OCCN(CC)CC)cc1","CCOc1ccc(cc1)C(=O)OCCN(CC)CC",null,"CCOc1ccc(C(=O)OCCN(CC)CC)cc1","CCOc1ccc(cc1)C(=O)OCCN(CC)CC"]
[724,"94-25-7",{"$nulls":3},"CCCCOC(=O)c1ccc(N)cc1","CCCCOC(=O)c1ccc(cc1)N",{"$nulls":4},"CCCCOC(=O)c1ccc(N)cc1","CCCCOC(=O)c1ccc(cc1)N"]
[725,"94-26-8",{"$nulls":3},"CCCCOC(=O)c1ccc(O)cc1","CCCCOC(=O)c1ccc(cc1)O",{"$nulls":4},"CCCCOC(=O)c1ccc(O)cc1","CCCCOC(=O)c1ccc(cc1)O"]
[726,"94-36-0","O=C(OOC(=O)c1ccccc1)c1ccccc1","O=C(OOC(=O)c1ccccc1)c2ccccc2",null,"O=C(OOC(=O)c1ccccc1)c1ccccc1","O=C(OOC(=O)c1ccccc1)c2ccccc2",null,"O=C(OOC(=O)c1ccccc1)c1ccccc1","O=C(OOC(=O)c1ccccc1)c2ccccc2",null,"O=C(OOC(=O)c1ccccc1)c1ccccc1","O=C(OOC(=O)c1ccccc1)c2ccccc2"]
[727,"94-62-2","O=C(C=CC=Cc1ccc2c(c1)OCO2)N1CCCCC1","O=C(C=CC=Cc1cc2c(cc1)OCO2)N3CCCCC3",null,"O=C(C=CC=Cc1ccc2c(c1)OCO2)N1CCCCC1","O=C(C=CC=Cc1cc2c(cc1)OCO2)N3CCCCC3",{"$nulls":4},"O=C(C=CC=Cc1ccc2c(c1)OCO2)N1CCCCC1","O=C(C=CC=Cc1cc2c(cc1)OCO2)N3CCCCC3"]
[728,"94-63-3","CN1C=CC=CC1=C[NH+]=O","CN1C=CC=CC1=C[NH+]=O","[I-](1)","CN1C=CC=CC1=C[NH+]=O","CN1C=CC=CC1=C[NH+]=O","[I-](1)"]
[729,"94-74-6","Cc1cc(Cl)ccc1OCC(=O)O","Cc1c(ccc(c1)Cl)OCC(=O)O",null,"Cc1cc(Cl)ccc1OCC(=O)O","Cc1c(ccc(c1)Cl)OCC(=O)O",null,"Cc1cc(Cl)ccc1OCC(=O)O","Cc1c(ccc(c1)Cl)OCC(=O)O",null,"Cc1cc(Cl)ccc1OCC(=O)O","Cc1c(ccc(c1)Cl)OCC(=O)O"]
[730,"94-75-7","O=C(O)COc1ccc(Cl)cc1Cl","O=C(O)COc1c(cc(cc1)Cl)Cl",null,"O=C(O)COc1ccc(Cl)cc1Cl","O=C(O)COc1c(cc(cc1)Cl)Cl",null,"O=C(O)COc1ccc(Cl)cc1Cl","O=C(O)COc1c(cc(cc1)Cl)Cl",null,"O=C(O)COc1ccc(Cl)cc1Cl","O=C(O)COc1c(cc(cc1)Cl)Cl"]
[731,"94-77-9","Oc1ccc(CCc2ccccc2)c(O)c1","Oc1cc(c(cc1)CCc2ccccc2)O"]
[732,"94-80-4",{"$nulls":3},"CCCCOC(=O)COc1ccc(Cl)cc1Cl","CCCCOC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},"CCCCOC(=O)COc1ccc(Cl)cc1Cl","CCCCOC(=O)COc1c(cc(cc1)Cl)Cl"]
[733,"94-81-5","Cc1cc(Cl)ccc1OCCCC(=O)O","Cc1c(ccc(c1)Cl)OCCCC(=O)O",null,"Cc1cc(Cl)ccc1OCCCC(=O)O","Cc1c(ccc(c1)Cl)OCCCC(=O)O",null,"Cc1cc(Cl)ccc1OCCCC(=O)O","Cc1c(ccc(c1)Cl)OCCCC(=O)O",null,"Cc1cc(Cl)ccc1OCCCC(=O)O","Cc1c(ccc(c1)Cl)OCCCC(=O)O"]
[734,"94-82-6","O=C(O)CCCOc1ccc(Cl)cc1Cl","O=C(O)CCCOc1c(cc(cc1)Cl)Cl",null,"O=C(O)CCCOc1ccc(Cl)cc1Cl","O=C(O)CCCOc1c(cc(cc1)Cl)Cl",null,"O=C(O)CCCOc1ccc(Cl)cc1Cl","O=C(O)CCCOc1c(cc(cc1)Cl)Cl",null,"O=C(O)CCCOc1ccc(Cl)cc1Cl","O=C(O)CCCOc1c(cc(cc1)Cl)Cl"]
[735,"94-83-7","O=C(OCCOc1ccc(Cl)cc1Cl)c1ccccc1","O=C(OCCOc1c(cc(cc1)Cl)Cl)c2ccccc2",null,"O=C(OCCOc1ccc(Cl)cc1Cl)c1ccccc1","O=C(OCCOc1c(cc(cc1)Cl)Cl)c2ccccc2",{"$nulls":4},"O=C(OCCOc1ccc(Cl)cc1Cl)c1ccccc1","O=C(OCCOc1c(cc(cc1)Cl)Cl)c2ccccc2"]
[736,"94-96-2","CCCC(O)C(CC)CO","CCCC(O)C(CC)CO",null,"CCCC(O)C(CC)CO","CCCC(O)C(CC)CO",null,"CCCC(O)C(CC)CO","CCCC(O)C(CC)CO",null,"CCCC(O)C(CC)CO","CCCC(O)C(CC)CO"]
[737,"95-06-7","C=C(Cl)CSC(=S)N(CC)CC","C=C(Cl)CSC(=S)N(CC)CC",null,"C=C(Cl)CSC(=S)N(CC)CC","C=C(Cl)CSC(=S)N(CC)CC",null,"C=C(Cl)CSC(=S)N(CC)CC","C=C(Cl)CSC(=S)N(CC)CC",null,"C=C(Cl)CSC(=S)N(CC)CC","C=C(Cl)CSC(=S)N(CC)CC"]
[738,"95-08-9","OCCOCCOCCO","OCCOCCOCCO","CCC(CC)C(O)=O(2)","CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC","CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC",null,"CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC","CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC",null,"CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC","CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC"]
[739,"95-14-7","c1ccc2[nH]nnc2c1","c1cc2c(cc1)[nH]nn2",null,"c1ccc2n[nH]nc2c1","c1cc2c(cc1)n[nH]n2",null,"c1ccc2[nH]nnc2c1","c1cc2c(cc1)[nH]nn2",null,"c1ccc2[nH]nnc2c1","c1cc2c(cc1)[nH]nn2"]
[740,"95-15-8","c1ccc2sccc2c1","c1cc2c(cc1)scc2",null,"c1ccc2sccc2c1","c1cc2c(cc1)scc2",null,"c1ccc2sccc2c1","c1cc2c(cc1)scc2",null,"c1ccc2sccc2c1","c1cc2c(cc1)scc2"]
[741,"95-16-9","c1ccc2scnc2c1","c1cc2c(cc1)scn2",null,"c1ccc2scnc2c1","c1cc2c(cc1)scn2",null,"c1ccc2scnc2c1","c1cc2c(cc1)scn2",null,"c1ccc2scnc2c1","c1cc2c(cc1)scn2"]
[742,"95-45-4","CON=C(C)C=NO","CON=C(C)C=NO",null,"CC(N=O)=C(C)NO","CC(N=O)=C(C)NO",{"$nulls":4},"CC(=NO)C(C)=NO","CC(=NO)C(C)=NO"]
[743,"95-47-6","Cc1ccccc1C","Cc1c(cccc1)C",null,"Cc1ccccc1C","Cc1c(cccc1)C",null,"Cc1ccccc1C","Cc1c(cccc1)C",null,"Cc1ccccc1C","Cc1c(cccc1)C"]
[744,"95-48-7","Cc1ccccc1O","Cc1c(cccc1)O",null,"Cc1ccccc1O","Cc1c(cccc1)O",null,"Cc1ccccc1O","Cc1c(cccc1)O",null,"Cc1ccccc1O","Cc1c(cccc1)O"]
[745,"95-49-8","Cc1ccccc1Cl","Cc1c(cccc1)Cl",null,"Cc1ccccc1Cl","Cc1c(cccc1)Cl",null,"Cc1ccccc1Cl","Cc1c(cccc1)Cl",null,"Cc1ccccc1Cl","Cc1c(cccc1)Cl"]
[746,"95-50-1","Clc1ccccc1Cl","Clc1c(cccc1)Cl",null,"Clc1ccccc1Cl","Clc1c(cccc1)Cl",null,"Clc1ccccc1Cl","Clc1c(cccc1)Cl",null,"Clc1ccccc1Cl","Clc1c(cccc1)Cl"]
[747,"95-51-2","Nc1ccccc1Cl","Nc1c(cccc1)Cl",null,"Nc1ccccc1Cl","Nc1c(cccc1)Cl",null,"Nc1ccccc1Cl","Nc1c(cccc1)Cl",null,"Nc1ccccc1Cl","Nc1c(cccc1)Cl"]
[748,"95-53-4","Cc1ccccc1N","Cc1c(cccc1)N",null,"Cc1ccccc1N","Cc1c(cccc1)N",null,"Cc1ccccc1N","Cc1c(cccc1)N",null,"Cc1ccccc1N","Cc1c(cccc1)N"]
[749,"95-54-5","Nc1ccccc1N","Nc1c(cccc1)N",null,"Nc1ccccc1N","Nc1c(cccc1)N",null,"Nc1ccccc1N","Nc1c(cccc1)N",null,"Nc1ccccc1N","Nc1c(cccc1)N"]
[750,"95-55-6","NOc1ccccc1","NOc1ccccc1",null,"Nc1ccccc1O","Nc1c(cccc1)O",null,"Nc1ccccc1O","Nc1c(cccc1)O",null,"Nc1ccccc1O","Nc1c(cccc1)O"]
[751,"95-57-8","Oc1ccccc1Cl","Oc1c(cccc1)Cl",null,"Oc1ccccc1Cl","Oc1c(cccc1)Cl",null,"Oc1ccccc1Cl","Oc1c(cccc1)Cl",null,"Oc1ccccc1Cl","Oc1c(cccc1)Cl"]
[752,"95-63-6","Cc1ccc(C)c(C)c1","Cc1cc(c(cc1)C)C",null,"Cc1ccc(C)c(C)c1","Cc1cc(c(cc1)C)C",null,"Cc1ccc(C)c(C)c1","Cc1cc(c(cc1)C)C",null,"Cc1ccc(C)c(C)c1","Cc1cc(c(cc1)C)C"]
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[755,"95-75-0","Cc1ccc(Cl)c(Cl)c1","Cc1cc(c(cc1)Cl)Cl",null,"Cc1ccc(Cl)c(Cl)c1","Cc1cc(c(cc1)Cl)Cl",null,"Cc1ccc(Cl)c(Cl)c1","Cc1cc(c(cc1)Cl)Cl",null,"Cc1ccc(Cl)c(Cl)c1","Cc1cc(c(cc1)Cl)Cl"]
[756,"95-76-1","Nc1ccc(Cl)c(Cl)c1","Nc1cc(c(cc1)Cl)Cl",null,"Nc1ccc(Cl)c(Cl)c1","Nc1cc(c(cc1)Cl)Cl",null,"Nc1ccc(Cl)c(Cl)c1","Nc1cc(c(cc1)Cl)Cl",null,"Nc1ccc(Cl)c(Cl)c1","Nc1cc(c(cc1)Cl)Cl"]
[757,"95-77-2","Oc1ccc(Cl)c(Cl)c1","Oc1cc(c(cc1)Cl)Cl",null,"Oc1ccc(Cl)c(Cl)c1","Oc1cc(c(cc1)Cl)Cl",null,"Oc1ccc(Cl)c(Cl)c1","Oc1cc(c(cc1)Cl)Cl",null,"Oc1ccc(Cl)c(Cl)c1","Oc1cc(c(cc1)Cl)Cl"]
[758,"95-78-3","Cc1ccc(C)c(N)c1","Cc1cc(c(cc1)C)N",null,"Cc1ccc(C)c(N)c1","Cc1cc(c(cc1)C)N",null,"Cc1ccc(C)c(N)c1","Cc1cc(c(cc1)C)N",null,"Cc1ccc(C)c(N)c1","Cc1cc(c(cc1)C)N"]
[759,"95-87-4","Cc1ccc(C)c(O)c1","Cc1cc(c(cc1)C)O",null,"Cc1ccc(C)c(O)c1","Cc1cc(c(cc1)C)O",null,"Cc1ccc(C)c(O)c1","Cc1cc(c(cc1)C)O",null,"Cc1ccc(C)c(O)c1","Cc1cc(c(cc1)C)O"]
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[761,"95-93-2","Cc1cc(C)c(C)cc1C","Cc1c(cc(c(c1)C)C)C",null,"Cc1cc(C)c(C)cc1C","Cc1c(cc(c(c1)C)C)C",null,"Cc1cc(C)c(C)cc1C","Cc1c(cc(c(c1)C)C)C",null,"Cc1cc(C)c(C)cc1C","Cc1c(cc(c(c1)C)C)C"]
[762,"95-94-3","Clc1cc(Cl)c(Cl)cc1Cl","Clc1c(cc(c(c1)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)cc1Cl","Clc1c(cc(c(c1)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)cc1Cl","Clc1c(cc(c(c1)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)cc1Cl","Clc1c(cc(c(c1)Cl)Cl)Cl"]
[763,"95-95-4","Oc1cc(Cl)c(Cl)cc1Cl","Oc1c(cc(c(c1)Cl)Cl)Cl",null,"Oc1cc(Cl)c(Cl)cc1Cl","Oc1c(cc(c(c1)Cl)Cl)Cl",null,"Oc1cc(Cl)c(Cl)cc1Cl","Oc1c(cc(c(c1)Cl)Cl)Cl",null,"Oc1cc(Cl)c(Cl)cc1Cl","Oc1c(cc(c(c1)Cl)Cl)Cl"]
[764,"96-09-3","c1ccc(C2CO2)cc1","c1ccc(cc1)C2OC2",null,"c1ccc(C2CO2)cc1","c1ccc(cc1)C2OC2",null,"c1ccc(C2CO2)cc1","c1ccc(cc1)C2OC2",null,"c1ccc(C2CO2)cc1","c1ccc(cc1)C2OC2"]
[765,"96-12-8","ClCC(Br)CBr","ClCC(Br)CBr",null,"ClCC(Br)CBr","ClCC(Br)CBr",null,"ClCC(Br)CBr","ClCC(Br)CBr",null,"ClCC(Br)CBr","ClCC(Br)CBr"]
[766,"96-13-9","OCC(Br)CBr","OCC(Br)CBr",null,"OCC(Br)CBr","OCC(Br)CBr",null,"OCC(Br)CBr","OCC(Br)CBr",null,"OCC(Br)CBr","OCC(Br)CBr"]
[767,"96-14-0","CCC(C)CC","CCC(C)CC",null,"CCC(C)CC","CCC(C)CC",null,"CCC(C)CC","CCC(C)CC",null,"CCC(C)CC","CCC(C)CC"]
[768,"96-18-4","ClCC(Cl)CCl","ClCC(Cl)CCl",null,"ClCC(Cl)CCl","ClCC(Cl)CCl",null,"ClCC(Cl)CCl","ClCC(Cl)CCl",null,"ClCC(Cl)CCl","ClCC(Cl)CCl"]
[769,"96-20-8","CCC(N)CO","CCC(N)CO",null,"CCC(N)CO","CCC(N)CO",null,"CCC(N)CO","CCC(N)CO",null,"CCC(N)CO","CCC(N)CO"]
[770,"96-22-0","CCC(=O)CC","CCC(=O)CC",null,"CCC(=O)CC","CCC(=O)CC",null,"CCC(=O)CC","CCC(=O)CC",null,"CCC(=O)CC","CCC(=O)CC"]
[771,"96-23-1","OC(CCl)CCl","OC(CCl)CCl",null,"OC(CCl)CCl","OC(CCl)CCl",null,"OC(CCl)CCl","OC(CCl)CCl",null,"OC(CCl)CCl","OC(CCl)CCl"]
[772,"96-24-2","OCC(O)CCl","OCC(O)CCl",null,"OCC(O)CCl","OCC(O)CCl",null,"OCC(O)CCl","OCC(O)CCl",null,"OCC(O)CCl","OCC(O)CCl"]
[773,"96-29-7","CCC(C)=NO","CCC(C)=NO",null,"CCC(C)=NO","CCC(C)=NO",null,"CCC(C)=NO","CCC(C)=NO",null,"CCC(C)=NO","CCC(C)=NO"]
[774,"96-33-3","C=CC(=O)OC","C=CC(=O)OC",null,"C=CC(=O)OC","C=CC(=O)OC",null,"C=CC(=O)OC","C=CC(=O)OC"]
[775,"96-34-4","COC(=O)CCl","COC(=O)CCl",null,"COC(=O)CCl","COC(=O)CCl",null,"COC(=O)CCl","COC(=O)CCl",null,"COC(=O)CCl","COC(=O)CCl"]
[776,"96-37-7","CC1CCCC1","CC1CCCC1",null,"CC1CCCC1","CC1CCCC1",null,"CC1CCCC1","CC1CCCC1",null,"CC1CCCC1","CC1CCCC1"]
[777,"96-45-7","S=C1NCCN1","S=C1NCCN1",null,"S=C1NCCN1","S=C1NCCN1",null,"S=C1NCCN1","S=C1NCCN1",null,"S=C1NCCN1","S=C1NCCN1"]
[778,"96-47-9","CC1CCCO1","CC1OCCC1",null,"CC1CCCO1","CC1OCCC1",null,"CC1CCCO1","CC1OCCC1",null,"CC1CCCO1","CC1OCCC1"]
[779,"96-48-0","O=C1CCCO1","O=C1OCCC1",null,"O=C1CCCO1","O=C1OCCC1",null,"O=C1CCCO1","O=C1OCCC1",null,"O=C1CCCO1","O=C1OCCC1"]
[780,"96-49-1","O=C1OCCO1","O=C1OCCO1",null,"O=C1OCCO1","O=C1OCCO1",null,"O=C1OCCO1","O=C1OCCO1",null,"O=C1OCCO1","O=C1OCCO1"]
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[783,"96-80-0","CC(C)N(CCO)C(C)C","CC(C)N(CCO)C(C)C",null,"CC(C)N(CCO)C(C)C","CC(C)N(CCO)C(C)C",null,"CC(C)N(CCO)C(C)C","CC(C)N(CCO)C(C)C",null,"CC(C)N(CCO)C(C)C","CC(C)N(CCO)C(C)C"]
[784,"96-81-1","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C",null,"CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C"]
[785,"96-83-3","CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O","CCC(Cc1c(c(c(cc1I)I)N)I)C(=O)O",null,"CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O","CCC(Cc1c(c(c(cc1I)I)N)I)C(=O)O",null,"CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O","CCC(Cc1c(c(c(cc1I)I)N)I)C(=O)O",null,"CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O","CCC(Cc1c(c(c(cc1I)I)N)I)C(=O)O"]
[786,"96-88-8","Cc1cccc(C)c1NC(=O)C1CCCCN1","Cc1c(c(ccc1)C)NC(=O)C2NCCCC2",null,"Cc1cccc(C)c1NC(=O)C1CCCCN1C","Cc1c(c(ccc1)C)NC(=O)C2N(CCCC2)C",{"$nulls":4},"Cc1cccc(C)c1NC(=O)C1CCCCN1C","Cc1c(c(ccc1)C)NC(=O)C2N(CCCC2)C"]
[787,"96-91-3","Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","Nc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",null,"Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","Nc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",null,"Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","Nc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",null,"Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","Nc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O"]
[788,"96-96-8","COc1ccc(N)c([N+](=O)[O-])c1","COc1cc(c(cc1)N)[N+](=O)[O-]",null,"COc1ccc(N)c([N+](=O)[O-])c1","COc1cc(c(cc1)N)[N+](=O)[O-]",null,"COc1ccc(N)c([N+](=O)[O-])c1","COc1cc(c(cc1)N)[N+](=O)[O-]",null,"COc1ccc(N)c([N+](=O)[O-])c1","COc1cc(c(cc1)N)[N+](=O)[O-]"]
[789,"96-97-9","O=C(O)c1cc([N+](=O)[O-])ccc1O","O=C(O)c1c(ccc(c1)[N+](=O)[O-])O",null,"O=C(O)c1cc([N+](=O)[O-])ccc1O","O=C(O)c1c(ccc(c1)[N+](=O)[O-])O",null,"O=C(O)c1cc([N+](=O)[O-])ccc1O","O=C(O)c1c(ccc(c1)[N+](=O)[O-])O"]
[790,"97-00-7","O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)Cl)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)Cl)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)Cl)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)Cl)[N+](=O)[O-]"]
[791,"97-17-6","CCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl","CCOP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl",null,"CCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl","CCOP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl",null,"CCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl","CCOP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl",null,"CCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl","CCOP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl"]
[792,"97-18-7",{"$nulls":3},"Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O","Oc1c(cc(cc1Cl)Cl)Sc2c(c(cc(c2)Cl)Cl)O",{"$nulls":4},"Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O","Oc1c(cc(cc1Cl)Cl)Sc2c(c(cc(c2)Cl)Cl)O"]
[793,"97-23-4",{"$nulls":3},"Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O","Oc1c(cc(cc1)Cl)Cc2c(ccc(c2)Cl)O",{"$nulls":4},"Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O","Oc1c(cc(cc1)Cl)Cc2c(ccc(c2)Cl)O"]
[794,"97-30-3","COC1OC(CO)C(O)C(O)C1O","COC1C(C(C(C(O1)CO)O)O)O",null,"COC1OC(CO)C(O)C(O)C1O","COC1C(C(C(C(O1)CO)O)O)O",{"$nulls":4},"COC1OC(CO)C(O)C(O)C1O","COC1C(C(C(C(O1)CO)O)O)O"]
[795,"97-53-0","C=CCc1ccc(O)c(OC)c1","C=CCc1cc(c(cc1)O)OC",null,"C=CCc1ccc(O)c(OC)c1","C=CCc1cc(c(cc1)O)OC",null,"C=CCc1ccc(O)c(OC)c1","C=CCc1cc(c(cc1)O)OC",null,"C=CCc1ccc(O)c(OC)c1","C=CCc1cc(c(cc1)O)OC"]
[796,"97-56-3","Cc1ccccc1N=NC1(N)C=CC=CC1C","Cc1c(cccc1)N=NC2(C(C=CC=C2)C)N",null,"Cc1cc(N=Nc2ccccc2C)ccc1N","Cc1c(ccc(c1)N=Nc2c(cccc2)C)N",null,"Cc1cc(N=Nc2ccccc2C)ccc1N","Cc1c(ccc(c1)N=Nc2c(cccc2)C)N",null,"Cc1cc(N=Nc2ccccc2C)ccc1N","Cc1c(ccc(c1)N=Nc2c(cccc2)C)N"]
[797,"97-59-6","NC(=O)NC1NC(=O)NC1=O","NC(=O)NC1C(NC(N1)=O)=O",null,"NC(=O)NC1NC(=O)NC1=O","NC(=O)NC1C(NC(N1)=O)=O",null,"NC(=O)NC1NC(=O)NC1=O","NC(=O)NC1C(NC(N1)=O)=O",null,"NC(=O)NC1NC(=O)NC1=O","NC(=O)NC1C(NC(N1)=O)=O"]
[798,"97-61-0","CCCC(C)C(=O)O","CCCC(C)C(=O)O",null,"CCCC(C)C(=O)O","CCCC(C)C(=O)O",null,"CCCC(C)C(=O)O","CCCC(C)C(=O)O",null,"CCCC(C)C(=O)O","CCCC(C)C(=O)O"]
[799,"97-63-2","C=C(C)C(=O)OCC","C=C(C)C(=O)OCC",null,"C=C(C)C(=O)OCC","C=C(C)C(=O)OCC",null,"C=C(C)C(=O)OCC","C=C(C)C(=O)OCC",null,"C=C(C)C(=O)OCC","C=C(C)C(=O)OCC"]
[800,"97-64-3","CCOC(=O)C(C)O","CCOC(=O)C(C)O",null,"CCOC(=O)C(C)O","CCOC(=O)C(C)O",null,"CCOC(=O)C(C)O","CCOC(=O)C(C)O",null,"CCOC(=O)C(C)O","CCOC(=O)C(C)O"]
[801,"97-65-4","C=C(CC(=O)O)C(=O)O","C=C(CC(=O)O)C(=O)O",null,"C=C(CC(=O)O)C(=O)O","C=C(CC(=O)O)C(=O)O",null,"C=C(CC(=O)O)C(=O)O","C=C(CC(=O)O)C(=O)O",null,"C=C(CC(=O)O)C(=O)O","C=C(CC(=O)O)C(=O)O"]
[802,"97-85-8","CC(C)COC(=O)C(C)C","CC(C)COC(=O)C(C)C",null,"CC(C)COC(=O)C(C)C","CC(C)COC(=O)C(C)C",null,"CC(C)COC(=O)C(C)C","CC(C)COC(=O)C(C)C",null,"CC(C)COC(=O)C(C)C","CC(C)COC(=O)C(C)C"]
[803,"97-86-9",{"$nulls":3},"C=C(C)C(=O)OCC(C)C","C=C(C)C(=O)OCC(C)C",null,"C=C(C)C(=O)OCC(C)C","C=C(C)C(=O)OCC(C)C",null,"C=C(C)C(=O)OCC(C)C","C=C(C)C(=O)OCC(C)C"]
[804,"97-88-1",{"$nulls":3},"C=C(C)C(=O)OCCCC","C=C(C)C(=O)OCCCC",null,"C=C(C)C(=O)OCCCC","C=C(C)C(=O)OCCCC",null,"C=C(C)C(=O)OCCCC","C=C(C)C(=O)OCCCC"]
[805,"97-95-0","CCC(CC)CO","CCC(CC)CO",null,"CCC(CC)CO","CCC(CC)CO",null,"CCC(CC)CO","CCC(CC)CO",null,"CCC(CC)CO","CCC(CC)CO"]
[806,"97-99-4","OCC1CCCO1","OCC1OCCC1",null,"OCC1CCCO1","OCC1OCCC1",null,"OCC1CCCO1","OCC1OCCC1",null,"OCC1CCCO1","OCC1OCCC1"]
[807,"98-00-0","OCc1ccco1","OCc1occc1",null,"OCc1ccco1","OCc1occc1",null,"OCc1ccco1","OCc1occc1",null,"OCc1ccco1","OCc1occc1"]
[808,"98-01-1",{"$nulls":3},"O=Cc1ccco1","O=Cc1occc1",null,"O=Cc1ccco1","O=Cc1occc1",null,"O=Cc1ccco1","O=Cc1occc1"]
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[810,"98-07-7","ClC(Cl)(Cl)c1ccccc1","ClC(Cl)(Cl)c1ccccc1",null,"ClC(Cl)(Cl)c1ccccc1","ClC(Cl)(Cl)c1ccccc1",null,"ClC(Cl)(Cl)c1ccccc1","ClC(Cl)(Cl)c1ccccc1",null,"ClC(Cl)(Cl)c1ccccc1","ClC(Cl)(Cl)c1ccccc1"]
[811,"98-08-8","FC(F)(F)c1ccccc1","FC(F)(F)c1ccccc1",null,"FC(F)(F)c1ccccc1","FC(F)(F)c1ccccc1",null,"FC(F)(F)c1ccccc1","FC(F)(F)c1ccccc1",null,"FC(F)(F)c1ccccc1","FC(F)(F)c1ccccc1"]
[812,"98-10-2","NS(=O)(=O)c1ccccc1","NS(=O)(=O)c1ccccc1",null,"NS(=O)(=O)c1ccccc1","NS(=O)(=O)c1ccccc1",null,"NS(=O)(=O)c1ccccc1","NS(=O)(=O)c1ccccc1",null,"NS(=O)(=O)c1ccccc1","NS(=O)(=O)c1ccccc1"]
[813,"98-16-8","Nc1cccc(C(F)(F)F)c1","Nc1cc(ccc1)C(F)(F)F",null,"Nc1cccc(C(F)(F)F)c1","Nc1cc(ccc1)C(F)(F)F",null,"Nc1cccc(C(F)(F)F)c1","Nc1cc(ccc1)C(F)(F)F",null,"Nc1cccc(C(F)(F)F)c1","Nc1cc(ccc1)C(F)(F)F"]
[814,"98-29-3","CC(C)(C)c1ccc(O)c(O)c1","CC(C)(C)c1cc(c(cc1)O)O",null,"CC(C)(C)c1ccc(O)c(O)c1","CC(C)(C)c1cc(c(cc1)O)O",null,"CC(C)(C)c1ccc(O)c(O)c1","CC(C)(C)c1cc(c(cc1)O)O",null,"CC(C)(C)c1ccc(O)c(O)c1","CC(C)(C)c1cc(c(cc1)O)O"]
[815,"98-37-3","Nc1cc(S(=O)(=O)O)ccc1O","Nc1c(ccc(c1)S(=O)(=O)O)O",null,"Nc1cc(S(=O)(=O)O)ccc1O","Nc1c(ccc(c1)S(=O)(=O)O)O",null,"Nc1cc(S(=O)(=O)O)ccc1O","Nc1c(ccc(c1)S(=O)(=O)O)O",null,"Nc1cc(S(=O)(=O)O)ccc1O","Nc1c(ccc(c1)S(=O)(=O)O)O"]
[816,"98-42-0","COc1ccc(S(=O)(=O)O)cc1N","COc1c(cc(cc1)S(=O)(=O)O)N",null,"COc1ccc(S(=O)(=O)O)cc1N","COc1c(cc(cc1)S(=O)(=O)O)N",null,"COc1ccc(S(=O)(=O)O)cc1N","COc1c(cc(cc1)S(=O)(=O)O)N",null,"COc1ccc(S(=O)(=O)O)cc1N","COc1c(cc(cc1)S(=O)(=O)O)N"]
[817,"98-43-1","Nc1cc(S(=O)(=O)O)ccc1C(=O)O","Nc1c(ccc(c1)S(=O)(=O)O)C(=O)O",null,"Nc1cc(S(=O)(=O)O)ccc1C(=O)O","Nc1c(ccc(c1)S(=O)(=O)O)C(=O)O",null,"Nc1cc(S(=O)(=O)O)ccc1C(=O)O","Nc1c(ccc(c1)S(=O)(=O)O)C(=O)O",null,"Nc1cc(S(=O)(=O)O)ccc1C(=O)O","Nc1c(ccc(c1)S(=O)(=O)O)C(=O)O"]
[818,"98-52-2","CC(C)(C)C1CCC(O)CC1","CC(C)(C)C1CCC(CC1)O",null,"CC(C)(C)C1CCC(O)CC1","CC(C)(C)C1CCC(CC1)O",null,"CC(C)(C)C1CCC(O)CC1","CC(C)(C)C1CCC(CC1)O",null,"CC(C)(C)C1CCC(O)CC1","CC(C)(C)C1CCC(CC1)O"]
[819,"98-54-4",{"$nulls":3},"CC(C)(C)c1ccc(O)cc1","CC(C)(C)c1ccc(cc1)O",null,"CC(C)(C)c1ccc(O)cc1","CC(C)(C)c1ccc(cc1)O",null,"CC(C)(C)c1ccc(O)cc1","CC(C)(C)c1ccc(cc1)O"]
[820,"98-55-5","CC1=CCC(C(C)(C)O)CC1","CC=1CCC(CC1)C(C)(C)O",null,"CC1=CCC(C(C)(C)O)CC1","CC=1CCC(CC1)C(C)(C)O",null,"CC1=CCC(C(C)(C)O)CC1","CC=1CCC(CC1)C(C)(C)O",null,"CC1=CCC(C(C)(C)O)CC1","CC=1CCC(CC1)C(C)(C)O"]
[821,"98-61-3","O=S(=O)(Cl)c1ccc(I)cc1","O=S(=O)(Cl)c1ccc(cc1)I",null,"O=S(=O)(Cl)c1ccc(I)cc1","O=S(=O)(Cl)c1ccc(cc1)I",null,"O=S(=O)(Cl)c1ccc(I)cc1","O=S(=O)(Cl)c1ccc(cc1)I",null,"O=S(=O)(Cl)c1ccc(I)cc1","O=S(=O)(Cl)c1ccc(cc1)I"]
[822,"98-73-7","CC(C)(C)c1ccc(C(=O)O)cc1","CC(C)(C)c1ccc(cc1)C(=O)O",null,"CC(C)(C)c1ccc(C(=O)O)cc1","CC(C)(C)c1ccc(cc1)C(=O)O",null,"CC(C)(C)c1ccc(C(=O)O)cc1","CC(C)(C)c1ccc(cc1)C(=O)O",null,"CC(C)(C)c1ccc(C(=O)O)cc1","CC(C)(C)c1ccc(cc1)C(=O)O"]
[823,"98-79-3","O=C1CCC(C(=O)O)N1","O=C1NC(CC1)C(=O)O",null,"O=C1CCC(C(=O)O)N1","O=C1NC(CC1)C(=O)O",null,"O=C1CCC(C(=O)O)N1","O=C1NC(CC1)C(=O)O",null,"O=C1CCC(C(=O)O)N1","O=C1NC(CC1)C(=O)O"]
[824,"98-82-8","CC(C)c1ccccc1","CC(C)c1ccccc1",null,"CC(C)c1ccccc1","CC(C)c1ccccc1",null,"CC(C)c1ccccc1","CC(C)c1ccccc1",null,"CC(C)c1ccccc1","CC(C)c1ccccc1"]
[825,"98-83-9","C=C(C)c1ccccc1","C=C(C)c1ccccc1",null,"C=C(C)c1ccccc1","C=C(C)c1ccccc1",null,"C=C(C)c1ccccc1","C=C(C)c1ccccc1",null,"C=C(C)c1ccccc1","C=C(C)c1ccccc1"]
[826,"98-84-0","CC(N)c1ccccc1","CC(N)c1ccccc1",null,"CC(N)c1ccccc1","CC(N)c1ccccc1",null,"CC(N)c1ccccc1","CC(N)c1ccccc1",null,"CC(N)c1ccccc1","CC(N)c1ccccc1"]
[827,"98-85-1","CC(O)c1ccccc1","CC(O)c1ccccc1",null,"CC(O)c1ccccc1","CC(O)c1ccccc1",null,"CC(O)c1ccccc1","CC(O)c1ccccc1",null,"CC(O)c1ccccc1","CC(O)c1ccccc1"]
[828,"98-86-2","CC(=O)c1ccccc1","CC(=O)c1ccccc1",null,"CC(=O)c1ccccc1","CC(=O)c1ccccc1",null,"CC(=O)c1ccccc1","CC(=O)c1ccccc1",null,"CC(=O)c1ccccc1","CC(=O)c1ccccc1"]
[829,"98-87-3","ClC(Cl)c1ccccc1","ClC(Cl)c1ccccc1",null,"ClC(Cl)c1ccccc1","ClC(Cl)c1ccccc1",null,"ClC(Cl)c1ccccc1","ClC(Cl)c1ccccc1",null,"ClC(Cl)c1ccccc1","ClC(Cl)c1ccccc1"]
[830,"98-89-5","O=C(O)C1CCCCC1","O=C(O)C1CCCCC1",null,"O=C(O)C1CCCCC1","O=C(O)C1CCCCC1",null,"O=C(O)C1CCCCC1","O=C(O)C1CCCCC1",null,"O=C(O)C1CCCCC1","O=C(O)C1CCCCC1"]
[831,"98-92-0","NC(=O)c1cccnc1","NC(=O)c1cnccc1",null,"NC(=O)c1cccnc1","NC(=O)c1cnccc1",null,"NC(=O)c1cccnc1","NC(=O)c1cnccc1",null,"NC(=O)c1cccnc1","NC(=O)c1cnccc1"]
[832,"98-95-3","O=[N+]([O-])c1ccccc1","O=[N+]([O-])c1ccccc1",null,"O=[N+]([O-])c1ccccc1","O=[N+]([O-])c1ccccc1",null,"O=[N+]([O-])c1ccccc1","O=[N+]([O-])c1ccccc1"]
[833,"98-96-4","NC(=O)c1cnccn1","NC(=O)c1nccnc1",null,"NC(=O)c1cnccn1","NC(=O)c1nccnc1",null,"NC(=O)c1cnccn1","NC(=O)c1nccnc1",null,"NC(=O)c1cnccn1","NC(=O)c1nccnc1"]
[834,"98-98-6","O=C(O)c1ccccn1","O=C(O)c1ncccc1",null,"O=C(O)c1ccccn1","O=C(O)c1ncccc1",null,"O=C(O)c1ccccn1","O=C(O)c1ncccc1",null,"O=C(O)c1ccccn1","O=C(O)c1ncccc1"]
[835,"99-04-7","Cc1cccc(C(=O)O)c1","Cc1cc(ccc1)C(=O)O",null,"Cc1cccc(C(=O)O)c1","Cc1cc(ccc1)C(=O)O",null,"Cc1cccc(C(=O)O)c1","Cc1cc(ccc1)C(=O)O",null,"Cc1cccc(C(=O)O)c1","Cc1cc(ccc1)C(=O)O"]
[836,"99-05-8","Nc1cccc(C(=O)O)c1","Nc1cc(ccc1)C(=O)O",null,"Nc1cccc(C(=O)O)c1","Nc1cc(ccc1)C(=O)O",null,"Nc1cccc(C(=O)O)c1","Nc1cc(ccc1)C(=O)O",null,"Nc1cccc(C(=O)O)c1","Nc1cc(ccc1)C(=O)O"]
[837,"99-06-9","O=C(O)c1cccc(O)c1","O=C(O)c1cc(ccc1)O",null,"O=C(O)c1cccc(O)c1","O=C(O)c1cc(ccc1)O",null,"O=C(O)c1cccc(O)c1","O=C(O)c1cc(ccc1)O",null,"O=C(O)c1cccc(O)c1","O=C(O)c1cc(ccc1)O"]
[838,"99-08-1","Cc1cccc([N+](=O)[O-])c1","Cc1cc(ccc1)[N+](=O)[O-]",null,"Cc1cccc([N+](=O)[O-])c1","Cc1cc(ccc1)[N+](=O)[O-]",null,"Cc1cccc([N+](=O)[O-])c1","Cc1cc(ccc1)[N+](=O)[O-]",null,"Cc1cccc([N+](=O)[O-])c1","Cc1cc(ccc1)[N+](=O)[O-]"]
[839,"99-09-2","Nc1cccc([N+](=O)[O-])c1","Nc1cc(ccc1)[N+](=O)[O-]",null,"Nc1cccc([N+](=O)[O-])c1","Nc1cc(ccc1)[N+](=O)[O-]",null,"Nc1cccc([N+](=O)[O-])c1","Nc1cc(ccc1)[N+](=O)[O-]",null,"Nc1cccc([N+](=O)[O-])c1","Nc1cc(ccc1)[N+](=O)[O-]"]
[840,"99-14-9","O=C(O)CC(CC(=O)O)C(=O)O","O=C(O)CC(CC(=O)O)C(=O)O",null,"O=C(O)CC(CC(=O)O)C(=O)O","O=C(O)CC(CC(=O)O)C(=O)O",null,"O=C(O)CC(CC(=O)O)C(=O)O","O=C(O)CC(CC(=O)O)C(=O)O",null,"O=C(O)CC(CC(=O)O)C(=O)O","O=C(O)CC(CC(=O)O)C(=O)O"]
[841,"99-17-2","O=C(OCC1OC(Oc2ccccc2CO)C(O)C(O)C1O)c1ccccc1","O=C(OCC1C(C(C(C(O1)Oc2c(cccc2)CO)O)O)O)c3ccccc3",null,"O=C(OCC1OC(Oc2ccccc2CO)C(O)C(O)C1O)c1ccccc1","O=C(OCC1C(C(C(C(O1)Oc2c(cccc2)CO)O)O)O)c3ccccc3",null,"O=C(OCC1OC(Oc2ccccc2CO)C(O)C(O)C1O)c1ccccc1","O=C(OCC1C(C(C(C(O1)Oc2c(cccc2)CO)O)O)O)c3ccccc3",null,"O=C(OCC1OC(Oc2ccccc2CO)C(O)C(O)C1O)c1ccccc1","O=C(OCC1C(C(C(C(O1)Oc2c(cccc2)CO)O)O)O)c3ccccc3"]
[842,"99-24-1","COC(=O)c1cc(O)c(O)c(O)c1","COC(=O)c1cc(c(c(c1)O)O)O",null,"COC(=O)c1cc(O)c(O)c(O)c1","COC(=O)c1cc(c(c(c1)O)O)O",null,"COC(=O)c1cc(O)c(O)c(O)c1","COC(=O)c1cc(c(c(c1)O)O)O",null,"COC(=O)c1cc(O)c(O)c(O)c1","COC(=O)c1cc(c(c(c1)O)O)O"]
[843,"99-30-9","Nc1c(Cl)cc([N+](=O)[O-])cc1Cl","Nc1c(cc(cc1Cl)[N+](=O)[O-])Cl",null,"Nc1c(Cl)cc([N+](=O)[O-])cc1Cl","Nc1c(cc(cc1Cl)[N+](=O)[O-])Cl",null,"Nc1c(Cl)cc([N+](=O)[O-])cc1Cl","Nc1c(cc(cc1Cl)[N+](=O)[O-])Cl",null,"Nc1c(Cl)cc([N+](=O)[O-])cc1Cl","Nc1c(cc(cc1Cl)[N+](=O)[O-])Cl"]
[844,"99-32-1","O=C(O)c1cc(=O)cc(C(=O)O)o1","O=C(O)c1oc(cc(c1)=O)C(=O)O",null,"O=C(O)c1cc(=O)cc(C(=O)O)o1","O=C(O)c1oc(cc(c1)=O)C(=O)O",null,"O=C(O)c1cc(=O)cc(C(=O)O)o1","O=C(O)c1oc(cc(c1)=O)C(=O)O",null,"O=C(O)c1cc(=O)cc(C(=O)O)o1","O=C(O)c1oc(cc(c1)=O)C(=O)O"]
[845,"99-34-3","O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1","O=C(O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]",null,"O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1","O=C(O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]",null,"O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1","O=C(O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]",null,"O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1","O=C(O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]"]
[846,"99-35-4","O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1","O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]",null,"O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1","O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]",null,"O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1","O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]",null,"O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1","O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]"]
[847,"99-49-0","C=C(C)C1CC=C(C)C(=O)C1","C=C(C)C1CC(C(=CC1)C)=O",null,"C=C(C)C1CC=C(C)C(=O)C1","C=C(C)C1CC(C(=CC1)C)=O",null,"C=C(C)C1CC=C(C)C(=O)C1","C=C(C)C1CC(C(=CC1)C)=O",null,"C=C(C)C1CC=C(C)C(=O)C1","C=C(C)C1CC(C(=CC1)C)=O"]
[848,"99-50-3","O=C(O)c1ccc(O)c(O)c1","O=C(O)c1cc(c(cc1)O)O",null,"O=C(O)c1ccc(O)c(O)c1","O=C(O)c1cc(c(cc1)O)O",null,"O=C(O)c1ccc(O)c(O)c1","O=C(O)c1cc(c(cc1)O)O",null,"O=C(O)c1ccc(O)c(O)c1","O=C(O)c1cc(c(cc1)O)O"]
[849,"99-54-7","O=[N+]([O-])c1ccc(Cl)c(Cl)c1","O=[N+]([O-])c1cc(c(cc1)Cl)Cl",null,"O=[N+]([O-])c1ccc(Cl)c(Cl)c1","O=[N+]([O-])c1cc(c(cc1)Cl)Cl",null,"O=[N+]([O-])c1ccc(Cl)c(Cl)c1","O=[N+]([O-])c1cc(c(cc1)Cl)Cl",null,"O=[N+]([O-])c1ccc(Cl)c(Cl)c1","O=[N+]([O-])c1cc(c(cc1)Cl)Cl"]
[850,"99-57-0","Nc1cc([N+](=O)[O-])ccc1O","Nc1c(ccc(c1)[N+](=O)[O-])O",null,"Nc1cc([N+](=O)[O-])ccc1O","Nc1c(ccc(c1)[N+](=O)[O-])O",null,"Nc1cc([N+](=O)[O-])ccc1O","Nc1c(ccc(c1)[N+](=O)[O-])O",null,"Nc1cc([N+](=O)[O-])ccc1O","Nc1c(ccc(c1)[N+](=O)[O-])O"]
[851,"99-59-2","COc1ccc([N+](=O)[O-])cc1N","COc1c(cc(cc1)[N+](=O)[O-])N",null,"COc1ccc([N+](=O)[O-])cc1N","COc1c(cc(cc1)[N+](=O)[O-])N",null,"COc1ccc([N+](=O)[O-])cc1N","COc1c(cc(cc1)[N+](=O)[O-])N",null,"COc1ccc([N+](=O)[O-])cc1N","COc1c(cc(cc1)[N+](=O)[O-])N"]
[852,"99-61-6","O=Cc1cccc([N+](=O)[O-])c1","O=Cc1cc(ccc1)[N+](=O)[O-]",null,"O=Cc1cccc([N+](=O)[O-])c1","O=Cc1cc(ccc1)[N+](=O)[O-]",null,"O=Cc1cccc([N+](=O)[O-])c1","O=Cc1cc(ccc1)[N+](=O)[O-]",null,"O=Cc1cccc([N+](=O)[O-])c1","O=Cc1cc(ccc1)[N+](=O)[O-]"]
[853,"99-65-0","O=[N+]([O-])c1cccc([N+](=O)[O-])c1","O=[N+]([O-])c1cc(ccc1)[N+](=O)[O-]",null,"O=[N+]([O-])c1cccc([N+](=O)[O-])c1","O=[N+]([O-])c1cc(ccc1)[N+](=O)[O-]",null,"O=[N+]([O-])c1cccc([N+](=O)[O-])c1","O=[N+]([O-])c1cc(ccc1)[N+](=O)[O-]",null,"O=[N+]([O-])c1cccc([N+](=O)[O-])c1","O=[N+]([O-])c1cc(ccc1)[N+](=O)[O-]"]
[854,"99-66-1","CCCC(CCC)C(=O)O","CCCC(CCC)C(=O)O",null,"CCCC(CCC)C(=O)O","CCCC(CCC)C(=O)O",null,"CCCC(CCC)C(=O)O","CCCC(CCC)C(=O)O",null,"CCCC(CCC)C(=O)O","CCCC(CCC)C(=O)O"]
[855,"99-71-8","CCC(C)c1ccc(O)cc1","CCC(C)c1ccc(cc1)O",null,"CCC(C)c1ccc(O)cc1","CCC(C)c1ccc(cc1)O",null,"CCC(C)c1ccc(O)cc1","CCC(C)c1ccc(cc1)O",null,"CCC(C)c1ccc(O)cc1","CCC(C)c1ccc(cc1)O"]
[856,"99-76-3",{"$nulls":3},"COC(=O)c1ccc(O)cc1","COC(=O)c1ccc(cc1)O",{"$nulls":4},"COC(=O)c1ccc(O)cc1","COC(=O)c1ccc(cc1)O"]
[857,"99-82-1","CC1CCC(C(C)C)CC1","CC1CCC(CC1)C(C)C",null,"CC1CCC(C(C)C)CC1","CC1CCC(CC1)C(C)C",null,"CC1CCC(C(C)C)CC1","CC1CCC(CC1)C(C)C",null,"CC1CCC(C(C)C)CC1","CC1CCC(CC1)C(C)C"]
[858,"99-85-4","CC1=CCC(C(C)C)=CC1","CC=1CC=C(CC1)C(C)C",null,"CC1=CCC(C(C)C)=CC1","CC=1CC=C(CC1)C(C)C",null,"CC1=CCC(C(C)C)=CC1","CC=1CC=C(CC1)C(C)C",null,"CC1=CCC(C(C)C)=CC1","CC=1CC=C(CC1)C(C)C"]
[859,"99-87-6","Cc1ccc(C(C)C)cc1","Cc1ccc(cc1)C(C)C",null,"Cc1ccc(C(C)C)cc1","Cc1ccc(cc1)C(C)C",null,"Cc1ccc(C(C)C)cc1","Cc1ccc(cc1)C(C)C",null,"Cc1ccc(C(C)C)cc1","Cc1ccc(cc1)C(C)C"]
[860,"99-92-3","CC(=O)c1ccc(N)cc1","CC(=O)c1ccc(cc1)N",null,"CC(=O)c1ccc(N)cc1","CC(=O)c1ccc(cc1)N",null,"CC(=O)c1ccc(N)cc1","CC(=O)c1ccc(cc1)N",null,"CC(=O)c1ccc(N)cc1","CC(=O)c1ccc(cc1)N"]
[861,"99-93-4","CC(=O)c1ccc(O)cc1","CC(=O)c1ccc(cc1)O",null,"CC(=O)c1ccc(O)cc1","CC(=O)c1ccc(cc1)O",null,"CC(=O)c1ccc(O)cc1","CC(=O)c1ccc(cc1)O",null,"CC(=O)c1ccc(O)cc1","CC(=O)c1ccc(cc1)O"]
[862,"99-94-5","Cc1ccc(C(=O)O)cc1","Cc1ccc(cc1)C(=O)O",null,"Cc1ccc(C(=O)O)cc1","Cc1ccc(cc1)C(=O)O",null,"Cc1ccc(C(=O)O)cc1","Cc1ccc(cc1)C(=O)O",null,"Cc1ccc(C(=O)O)cc1","Cc1ccc(cc1)C(=O)O"]
[863,"99-96-7","O=C(O)c1ccc(O)cc1","O=C(O)c1ccc(cc1)O",null,"O=C(O)c1ccc(O)cc1","O=C(O)c1ccc(cc1)O",null,"O=C(O)c1ccc(O)cc1","O=C(O)c1ccc(cc1)O",null,"O=C(O)c1ccc(O)cc1","O=C(O)c1ccc(cc1)O"]
[864,"99-97-8","Cc1ccc(N(C)C)cc1","Cc1ccc(cc1)N(C)C",null,"Cc1ccc(N(C)C)cc1","Cc1ccc(cc1)N(C)C",null,"Cc1ccc(N(C)C)cc1","Cc1ccc(cc1)N(C)C",null,"Cc1ccc(N(C)C)cc1","Cc1ccc(cc1)N(C)C"]
[865,"99-99-0","Cc1ccc([N+](=O)[O-])cc1","Cc1ccc(cc1)[N+](=O)[O-]",null,"Cc1ccc([N+](=O)[O-])cc1","Cc1ccc(cc1)[N+](=O)[O-]",null,"Cc1ccc([N+](=O)[O-])cc1","Cc1ccc(cc1)[N+](=O)[O-]",null,"Cc1ccc([N+](=O)[O-])cc1","Cc1ccc(cc1)[N+](=O)[O-]"]
[866,"100-00-5","O=[N+]([O-])c1ccc(Cl)cc1","O=[N+]([O-])c1ccc(cc1)Cl",null,"O=[N+]([O-])c1ccc(Cl)cc1","O=[N+]([O-])c1ccc(cc1)Cl",null,"O=[N+]([O-])c1ccc(Cl)cc1","O=[N+]([O-])c1ccc(cc1)Cl",null,"O=[N+]([O-])c1ccc(Cl)cc1","O=[N+]([O-])c1ccc(cc1)Cl"]
[867,"100-01-6","Nc1ccc([N+](=O)[O-])cc1","Nc1ccc(cc1)[N+](=O)[O-]",null,"Nc1ccc([N+](=O)[O-])cc1","Nc1ccc(cc1)[N+](=O)[O-]",null,"Nc1ccc([N+](=O)[O-])cc1","Nc1ccc(cc1)[N+](=O)[O-]",null,"Nc1ccc([N+](=O)[O-])cc1","Nc1ccc(cc1)[N+](=O)[O-]"]
[868,"100-02-7","O=[N+]([O-])c1ccc(O)cc1","O=[N+]([O-])c1ccc(cc1)O",null,"O=[N+]([O-])c1ccc(O)cc1","O=[N+]([O-])c1ccc(cc1)O",null,"O=[N+]([O-])c1ccc(O)cc1","O=[N+]([O-])c1ccc(cc1)O",null,"O=[N+]([O-])c1ccc(O)cc1","O=[N+]([O-])c1ccc(cc1)O"]
[869,"100-09-4","COc1ccc(C(=O)O)cc1","COc1ccc(cc1)C(=O)O",null,"COc1ccc(C(=O)O)cc1","COc1ccc(cc1)C(=O)O",null,"COc1ccc(C(=O)O)cc1","COc1ccc(cc1)C(=O)O",null,"COc1ccc(C(=O)O)cc1","COc1ccc(cc1)C(=O)O"]
[870,"100-17-4","COc1ccc([N+](=O)[O-])cc1","COc1ccc(cc1)[N+](=O)[O-]",null,"COc1ccc([N+](=O)[O-])cc1","COc1ccc(cc1)[N+](=O)[O-]",null,"COc1ccc([N+](=O)[O-])cc1","COc1ccc(cc1)[N+](=O)[O-]",null,"COc1ccc([N+](=O)[O-])cc1","COc1ccc(cc1)[N+](=O)[O-]"]
[871,"100-21-0","O=C(O)c1ccc(C(=O)O)cc1","O=C(O)c1ccc(cc1)C(=O)O",null,"O=C(O)c1ccc(C(=O)O)cc1","O=C(O)c1ccc(cc1)C(=O)O",null,"O=C(O)c1ccc(C(=O)O)cc1","O=C(O)c1ccc(cc1)C(=O)O",null,"O=C(O)c1ccc(C(=O)O)cc1","O=C(O)c1ccc(cc1)C(=O)O"]
[872,"100-25-4","O=[N+]([O-])c1ccc([N+](=O)[O-])cc1","O=[N+]([O-])c1ccc(cc1)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc([N+](=O)[O-])cc1","O=[N+]([O-])c1ccc(cc1)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc([N+](=O)[O-])cc1","O=[N+]([O-])c1ccc(cc1)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc([N+](=O)[O-])cc1","O=[N+]([O-])c1ccc(cc1)[N+](=O)[O-]"]
[873,"100-26-5","O=C(O)c1ccc(C(=O)O)nc1","O=C(O)c1cnc(cc1)C(=O)O",null,"O=C(O)c1ccc(C(=O)O)nc1","O=C(O)c1cnc(cc1)C(=O)O",null,"O=C(O)c1ccc(C(=O)O)nc1","O=C(O)c1cnc(cc1)C(=O)O",null,"O=C(O)c1ccc(C(=O)O)nc1","O=C(O)c1cnc(cc1)C(=O)O"]
[874,"100-37-8","CCN(CC)CCO","CCN(CC)CCO",null,"CCN(CC)CCO","CCN(CC)CCO",null,"CCN(CC)CCO","CCN(CC)CCO",null,"CCN(CC)CCO","CCN(CC)CCO"]
[875,"100-40-3","C=CC1CC=CCC1","C=CC1CCC=CC1",null,"C=CC1CC=CCC1","C=CC1CCC=CC1",null,"C=CC1CC=CCC1","C=CC1CCC=CC1",null,"C=CC1CC=CCC1","C=CC1CCC=CC1"]
[876,"100-41-4","CCc1ccccc1","CCc1ccccc1",null,"CCc1ccccc1","CCc1ccccc1",null,"CCc1ccccc1","CCc1ccccc1",null,"CCc1ccccc1","CCc1ccccc1"]
[877,"100-42-5","C=Cc1ccccc1","C=Cc1ccccc1",null,"C=Cc1ccccc1","C=Cc1ccccc1",null,"C=Cc1ccccc1","C=Cc1ccccc1",null,"C=Cc1ccccc1","C=Cc1ccccc1"]
[878,"100-43-6","C=Cc1ccncc1","C=Cc1ccncc1",null,"C=Cc1ccncc1","C=Cc1ccncc1",null,"C=Cc1ccncc1","C=Cc1ccncc1",null,"C=Cc1ccncc1","C=Cc1ccncc1"]
[879,"100-44-7","ClCc1ccccc1","ClCc1ccccc1",null,"ClCc1ccccc1","ClCc1ccccc1",null,"ClCc1ccccc1","ClCc1ccccc1",null,"ClCc1ccccc1","ClCc1ccccc1"]
[880,"100-46-9","NCc1ccccc1","NCc1ccccc1",null,"NCc1ccccc1","NCc1ccccc1",null,"NCc1ccccc1","NCc1ccccc1",null,"NCc1ccccc1","NCc1ccccc1"]
[881,"100-47-0","N#Cc1ccccc1","N#Cc1ccccc1",null,"N#Cc1ccccc1","N#Cc1ccccc1",null,"N#Cc1ccccc1","N#Cc1ccccc1",null,"N#Cc1ccccc1","N#Cc1ccccc1"]
[882,"100-48-1","N#Cc1ccncc1","N#Cc1ccncc1",null,"N#Cc1ccncc1","N#Cc1ccncc1",null,"N#Cc1ccncc1","N#Cc1ccncc1",null,"N#Cc1ccncc1","N#Cc1ccncc1"]
[883,"100-51-6","OCc1ccccc1","OCc1ccccc1",null,"OCc1ccccc1","OCc1ccccc1",null,"OCc1ccccc1","OCc1ccccc1",null,"OCc1ccccc1","OCc1ccccc1"]
[884,"100-52-7","O=Cc1ccccc1","O=Cc1ccccc1",null,"O=Cc1ccccc1","O=Cc1ccccc1",null,"O=Cc1ccccc1","O=Cc1ccccc1",null,"O=Cc1ccccc1","O=Cc1ccccc1"]
[885,"100-54-9","N#Cc1cccnc1","N#Cc1cnccc1",null,"N#Cc1cccnc1","N#Cc1cnccc1",null,"N#Cc1cccnc1","N#Cc1cnccc1",null,"N#Cc1cccnc1","N#Cc1cnccc1"]
[886,"100-55-0","OCc1cccnc1","OCc1cnccc1",null,"OCc1cccnc1","OCc1cnccc1",null,"OCc1cccnc1","OCc1cnccc1",null,"OCc1cccnc1","OCc1cnccc1"]
[887,"100-57-2",{"$nulls":6},"O[Hg]c1ccccc1","O[Hg]c1ccccc1",null,"O[Hg]c1ccccc1","O[Hg]c1ccccc1"]
[888,"100-61-8","CNc1ccccc1","CNc1ccccc1",null,"CNc1ccccc1","CNc1ccccc1",null,"CNc1ccccc1","CNc1ccccc1",null,"CNc1ccccc1","CNc1ccccc1"]
[889,"100-63-0","NNc1ccccc1","NNc1ccccc1",null,"NNc1ccccc1","NNc1ccccc1","[Cl-](1), [H+](1)","NNc1ccccc1","NNc1ccccc1",null,"NNc1ccccc1","NNc1ccccc1"]
[890,"100-64-1","ON=C1CCCCC1","ON=C1CCCCC1",null,"ON=C1CCCCC1","ON=C1CCCCC1",null,"ON=C1CCCCC1","ON=C1CCCCC1",null,"ON=C1CCCCC1","ON=C1CCCCC1"]
[891,"100-65-2","ONc1ccccc1","ONc1ccccc1",null,"ONc1ccccc1","ONc1ccccc1",null,"ONc1ccccc1","ONc1ccccc1",null,"ONc1ccccc1","ONc1ccccc1"]
[892,"100-66-3","COc1ccccc1","COc1ccccc1",null,"COc1ccccc1","COc1ccccc1",null,"COc1ccccc1","COc1ccccc1",null,"COc1ccccc1","COc1ccccc1"]
[893,"100-68-5","CSc1ccccc1","CSc1ccccc1",null,"CSc1ccccc1","CSc1ccccc1",null,"CSc1ccccc1","CSc1ccccc1",null,"CSc1ccccc1","CSc1ccccc1"]
[894,"100-69-6","C=Cc1ccccn1","C=Cc1ncccc1",null,"C=Cc1ccccn1","C=Cc1ncccc1",null,"C=Cc1ccccn1","C=Cc1ncccc1",null,"C=Cc1ccccn1","C=Cc1ncccc1"]
[895,"100-71-0","CCc1ccccn1","CCc1ncccc1",null,"CCc1ccccn1","CCc1ncccc1",null,"CCc1ccccn1","CCc1ncccc1",null,"CCc1ccccn1","CCc1ncccc1"]
[896,"100-72-1","OCC1CCCCO1","OCC1OCCCC1",null,"OCC1CCCCO1","OCC1OCCCC1"]
[897,"100-74-3","CCN1CCOCC1","CCN1CCOCC1",null,"CCN1CCOCC1","CCN1CCOCC1",null,"CCN1CCOCC1","CCN1CCOCC1",null,"CCN1CCOCC1","CCN1CCOCC1"]
[898,"100-75-4","O=NN1CCCCC1","O=NN1CCCCC1",null,"O=NN1CCCCC1","O=NN1CCCCC1",null,"O=NN1CCCCC1","O=NN1CCCCC1",null,"O=NN1CCCCC1","O=NN1CCCCC1"]
[899,"100-80-1","C=Cc1cccc(C)c1","C=Cc1cc(ccc1)C",null,"C=Cc1cccc(C)c1","C=Cc1cc(ccc1)C",null,"C=Cc1cccc(C)c1","C=Cc1cc(ccc1)C",null,"C=Cc1cccc(C)c1","C=Cc1cc(ccc1)C"]
[900,"100-83-4","O=Cc1cccc(O)c1","O=Cc1cc(ccc1)O",null,"O=Cc1cccc(O)c1","O=Cc1cc(ccc1)O",null,"O=Cc1cccc(O)c1","O=Cc1cc(ccc1)O",null,"O=Cc1cccc(O)c1","O=Cc1cc(ccc1)O"]
[901,"100-90-3",{"$nulls":3},"CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(cc(n2)C)C",{"$nulls":4},"CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(cc(n2)C)C"]
[902,"100-97-0","C1N2CN3CN1CN(C2)C3","C1N2CN3CN1CN(C2)C3",null,"C1N2CN3CN1CN(C2)C3","C1N2CN3CN1CN(C2)C3",null,"C1N2CN3CN1CN(C2)C3","C1N2CN3CN1CN(C2)C3",null,"C1N2CN3CN1CN(C2)C3","C1N2CN3CN1CN(C2)C3"]
[903,"101-05-3","Clc1nc(Cl)nc(Nc2ccccc2Cl)n1","Clc1nc(nc(n1)Cl)Nc2c(cccc2)Cl",null,"Clc1nc(Cl)nc(Nc2ccccc2Cl)n1","Clc1nc(nc(n1)Cl)Nc2c(cccc2)Cl",null,"Clc1nc(Cl)nc(Nc2ccccc2Cl)n1","Clc1nc(nc(n1)Cl)Nc2c(cccc2)Cl"]
[904,"101-10-0","CC(Oc1cccc(Cl)c1)C(=O)O","CC(Oc1cc(ccc1)Cl)C(=O)O",null,"CC(Oc1cccc(Cl)c1)C(=O)O","CC(Oc1cc(ccc1)Cl)C(=O)O",null,"CC(Oc1cccc(Cl)c1)C(=O)O","CC(Oc1cc(ccc1)Cl)C(=O)O",null,"CC(Oc1cccc(Cl)c1)C(=O)O","CC(Oc1cc(ccc1)Cl)C(=O)O"]
[905,"101-14-4","Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl","Nc1c(cc(cc1)Cc2cc(c(cc2)N)Cl)Cl",null,"Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl","Nc1c(cc(cc1)Cc2cc(c(cc2)N)Cl)Cl",null,"Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl","Nc1c(cc(cc1)Cc2cc(c(cc2)N)Cl)Cl",null,"Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl","Nc1c(cc(cc1)Cc2cc(c(cc2)N)Cl)Cl"]
[906,"101-21-3","CC(C)OC(=O)Nc1cccc(Cl)c1","CC(C)OC(=O)Nc1cc(ccc1)Cl",null,"CC(C)OC(=O)Nc1cccc(Cl)c1","CC(C)OC(=O)Nc1cc(ccc1)Cl",null,"CC(C)OC(=O)Nc1cccc(Cl)c1","CC(C)OC(=O)Nc1cc(ccc1)Cl",null,"CC(C)OC(=O)Nc1cccc(Cl)c1","CC(C)OC(=O)Nc1cc(ccc1)Cl"]
[907,"101-27-9","O=C(Nc1cccc(Cl)c1)OCC#CCCl","O=C(Nc1cc(ccc1)Cl)OCC#CCCl",null,"O=C(Nc1cccc(Cl)c1)OCC#CCCl","O=C(Nc1cc(ccc1)Cl)OCC#CCCl",null,"O=C(Nc1cccc(Cl)c1)OCC#CCCl","O=C(Nc1cc(ccc1)Cl)OCC#CCCl",null,"O=C(Nc1cccc(Cl)c1)OCC#CCCl","O=C(Nc1cc(ccc1)Cl)OCC#CCCl"]
[908,"101-31-5","CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3",null,"CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3",{"$nulls":4},"CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3"]
[909,"101-42-8","CN(C)C(=O)Nc1ccccc1","CN(C)C(=O)Nc1ccccc1",null,"CN(C)C(=O)Nc1ccccc1","CN(C)C(=O)Nc1ccccc1",null,"CN(C)C(=O)Nc1ccccc1","CN(C)C(=O)Nc1ccccc1",null,"CN(C)C(=O)Nc1ccccc1","CN(C)C(=O)Nc1ccccc1"]
[910,"101-53-1","Oc1ccc(Cc2ccccc2)cc1","Oc1ccc(cc1)Cc2ccccc2",null,"Oc1ccc(Cc2ccccc2)cc1","Oc1ccc(cc1)Cc2ccccc2",null,"Oc1ccc(Cc2ccccc2)cc1","Oc1ccc(cc1)Cc2ccccc2",null,"Oc1ccc(Cc2ccccc2)cc1","Oc1ccc(cc1)Cc2ccccc2"]
[911,"101-77-9",{"$nulls":3},"Nc1ccc(Cc2ccc(N)cc2)cc1","Nc1ccc(cc1)Cc2ccc(cc2)N",null,"Nc1ccc(Cc2ccc(N)cc2)cc1","Nc1ccc(cc1)Cc2ccc(cc2)N",null,"Nc1ccc(Cc2ccc(N)cc2)cc1","Nc1ccc(cc1)Cc2ccc(cc2)N"]
[912,"101-81-5","c1ccc(Cc2ccccc2)cc1","c1ccc(cc1)Cc2ccccc2",null,"c1ccc(Cc2ccccc2)cc1","c1ccc(cc1)Cc2ccccc2",null,"c1ccc(Cc2ccccc2)cc1","c1ccc(cc1)Cc2ccccc2",null,"c1ccc(Cc2ccccc2)cc1","c1ccc(cc1)Cc2ccccc2"]
[913,"101-84-8","c1ccc(Oc2ccccc2)cc1","c1ccc(cc1)Oc2ccccc2",null,"c1ccc(Oc2ccccc2)cc1","c1ccc(cc1)Oc2ccccc2",null,"c1ccc(Oc2ccccc2)cc1","c1ccc(cc1)Oc2ccccc2",null,"c1ccc(Oc2ccccc2)cc1","c1ccc(cc1)Oc2ccccc2"]
[914,"102-06-7","N=C(Nc1ccccc1)Nc1ccccc1","N=C(Nc1ccccc1)Nc2ccccc2",null,"NC(=Nc1ccccc1)Nc1ccccc1","NC(=Nc1ccccc1)Nc2ccccc2",null,"N=C(Nc1ccccc1)Nc1ccccc1","N=C(Nc1ccccc1)Nc2ccccc2",null,"N=C(Nc1ccccc1)Nc1ccccc1","N=C(Nc1ccccc1)Nc2ccccc2"]
[915,"102-07-8",{"$nulls":3},"O=C(Nc1ccccc1)Nc1ccccc1","O=C(Nc1ccccc1)Nc2ccccc2",null,"O=C(Nc1ccccc1)Nc1ccccc1","O=C(Nc1ccccc1)Nc2ccccc2",null,"O=C(Nc1ccccc1)Nc1ccccc1","O=C(Nc1ccccc1)Nc2ccccc2"]
[916,"102-25-0","CCc1cc(CC)cc(CC)c1","CCc1cc(cc(c1)CC)CC",null,"CCc1cc(CC)cc(CC)c1","CCc1cc(cc(c1)CC)CC",null,"CCC1=CC(CC)CC(CC)=C1","CCC=1C=C(CC(C1)CC)CC",null,"CCC1=CC(CC)CC(CC)=C1","CCC=1C=C(CC(C1)CC)CC"]
[917,"102-53-4","CCN(CC)CN(CC)CC","CCN(CC)CN(CC)CC",null,"CCN(CC)CN(CC)CC","CCN(CC)CN(CC)CC",null,"CCN(CC)CN(CC)CC","CCN(CC)CN(CC)CC",null,"CCN(CC)CN(CC)CC","CCN(CC)CN(CC)CC"]
[918,"102-60-3","CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O","CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O",null,"CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O","CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O",null,"CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O","CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O",null,"CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O","CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O"]
[919,"102-66-9",{"$nulls":3},"O=C([O-])CCNC(=O)Nc1ccc([N+](=O)[O-])cc1","O=C(O)CCNC(=O)Nc1ccc(cc1)[N+](=O)[O-]","[Na+](1)",{"$nulls":3},"O=C(O)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1","O=C(O)CCNC(=O)Nc1ccc(cc1)[N+](=O)[O-]"]
[920,"102-69-2","CCCN(CCC)CCC","CCCN(CCC)CCC",null,"CCCN(CCC)CCC","CCCN(CCC)CCC",null,"CCCN(CCC)CCC","CCCN(CCC)CCC",null,"CCCN(CCC)CCC","CCCN(CCC)CCC"]
[921,"102-70-5","C=CCN(CC=C)CC=C","C=CCN(CC=C)CC=C",null,"C=CCN(CC=C)CC=C","C=CCN(CC=C)CC=C",null,"C=CCN(CC=C)CC=C","C=CCN(CC=C)CC=C",null,"C=CCN(CC=C)CC=C","C=CCN(CC=C)CC=C"]
[922,"102-71-6","OCCN(CCO)CCO","OCCN(CCO)CCO",null,"OCCN(CCO)CCO","OCCN(CCO)CCO",null,"OCCN(CCO)CCO","OCCN(CCO)CCO",null,"OCCN(CCO)CCO","OCCN(CCO)CCO"]
[923,"102-76-1","CC(=O)OCC(COC(C)=O)OC(C)=O","CC(=O)OCC(COC(C)=O)OC(C)=O",null,"CC(=O)OCC(COC(C)=O)OC(C)=O","CC(=O)OCC(COC(C)=O)OC(C)=O",null,"CC(=O)OCC(COC(C)=O)OC(C)=O","CC(=O)OCC(COC(C)=O)OC(C)=O",null,"CC(=O)OCC(COC(C)=O)OC(C)=O","CC(=O)OCC(COC(C)=O)OC(C)=O"]
[924,"102-81-8","CCCCN(CCO)CCCC","CCCCN(CCO)CCCC",null,"CCCCN(CCO)CCCC","CCCCN(CCO)CCCC",null,"CCCCN(CCO)CCCC","CCCCN(CCO)CCCC",null,"CCCCN(CCO)CCCC","CCCCN(CCO)CCCC"]
[925,"102-82-9",{"$nulls":3},"CCCCN(CCCC)CCCC","CCCCN(CCCC)CCCC",null,"CCCCN(CCCC)CCCC","CCCCN(CCCC)CCCC",null,"CCCCN(CCCC)CCCC","CCCCN(CCCC)CCCC"]
[926,"103-11-7","C=CC(=O)OCC(CC)CCCC","C=CC(=O)OCC(CC)CCCC",null,"C=CC(=O)OCC(CC)CCCC","C=CC(=O)OCC(CC)CCCC",null,"C=CC(=O)OCC(CC)CCCC","C=CC(=O)OCC(CC)CCCC",null,"C=CC(=O)OCC(CC)CCCC","C=CC(=O)OCC(CC)CCCC"]
[927,"103-23-1","CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC",null,"CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC",null,"CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC",null,"CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC"]
[928,"103-29-7","c1ccc(CCc2ccccc2)cc1","c1ccc(cc1)CCc2ccccc2",null,"c1ccc(CCc2ccccc2)cc1","c1ccc(cc1)CCc2ccccc2",null,"c1ccc(CCc2ccccc2)cc1","c1ccc(cc1)CCc2ccccc2",null,"c1ccc(CCc2ccccc2)cc1","c1ccc(cc1)CCc2ccccc2"]
[929,"103-30-0",{"$nulls":3},"C(=Cc1ccccc1)c1ccccc1","C(=Cc1ccccc1)c2ccccc2",null,"C(=Cc1ccccc1)c1ccccc1","C(=Cc1ccccc1)c2ccccc2",null,"C(=Cc1ccccc1)c1ccccc1","C(=Cc1ccccc1)c2ccccc2"]
[930,"103-33-3","c1ccc(N=Nc2ccccc2)cc1","c1ccc(cc1)N=Nc2ccccc2",null,"c1ccc(N=Nc2ccccc2)cc1","c1ccc(cc1)N=Nc2ccccc2",null,"c1ccc(N=Nc2ccccc2)cc1","c1ccc(cc1)N=Nc2ccccc2",null,"c1ccc(N=Nc2ccccc2)cc1","c1ccc(cc1)N=Nc2ccccc2"]
[931,"103-36-6","CCOC(=O)C=Cc1ccccc1","CCOC(=O)C=Cc1ccccc1",null,"CCOC(=O)C=Cc1ccccc1","CCOC(=O)C=Cc1ccccc1",null,"CCOC(=O)C=Cc1ccccc1","CCOC(=O)C=Cc1ccccc1",null,"CCOC(=O)C=Cc1ccccc1","CCOC(=O)C=Cc1ccccc1"]
[932,"103-50-4","c1ccc(COCc2ccccc2)cc1","c1ccc(cc1)COCc2ccccc2",null,"c1ccc(COCc2ccccc2)cc1","c1ccc(cc1)COCc2ccccc2",null,"c1ccc(COCc2ccccc2)cc1","c1ccc(cc1)COCc2ccccc2",null,"c1ccc(COCc2ccccc2)cc1","c1ccc(cc1)COCc2ccccc2"]
[933,"103-63-9","BrCCc1ccccc1","BrCCc1ccccc1",null,"BrCCc1ccccc1","BrCCc1ccccc1",null,"BrCCc1ccccc1","BrCCc1ccccc1",null,"BrCCc1ccccc1","BrCCc1ccccc1"]
[934,"103-65-1","CCCc1ccccc1","CCCc1ccccc1",null,"CCCc1ccccc1","CCCc1ccccc1",null,"CCCc1ccccc1","CCCc1ccccc1",null,"CCCc1ccccc1","CCCc1ccccc1"]
[935,"103-67-3","CNCc1ccccc1","CNCc1ccccc1",null,"CNCc1ccccc1","CNCc1ccccc1",null,"CNCc1ccccc1","CNCc1ccccc1",null,"CNCc1ccccc1","CNCc1ccccc1"]
[936,"103-69-5","CCNc1ccccc1","CCNc1ccccc1",null,"CCNc1ccccc1","CCNc1ccccc1",null,"CCNc1ccccc1","CCNc1ccccc1",null,"CCNc1ccccc1","CCNc1ccccc1"]
[937,"103-70-8","O=CNc1ccccc1","O=CNc1ccccc1",null,"O=CNc1ccccc1","O=CNc1ccccc1",null,"O=CNc1ccccc1","O=CNc1ccccc1",null,"O=CNc1ccccc1","O=CNc1ccccc1"]
[938,"103-72-0","S=C=Nc1ccccc1","S=C=Nc1ccccc1",null,"S=C=Nc1ccccc1","S=C=Nc1ccccc1",null,"S=C=Nc1ccccc1","S=C=Nc1ccccc1",null,"S=C=Nc1ccccc1","S=C=Nc1ccccc1"]
[939,"103-73-1","CCOc1ccccc1","CCOc1ccccc1",null,"CCOc1ccccc1","CCOc1ccccc1",null,"CCOc1ccccc1","CCOc1ccccc1",null,"CCOc1ccccc1","CCOc1ccccc1"]
[940,"103-82-2","O=C(O)Cc1ccccc1","O=C(O)Cc1ccccc1",null,"O=C(O)Cc1ccccc1","O=C(O)Cc1ccccc1",null,"O=C(O)Cc1ccccc1","O=C(O)Cc1ccccc1",null,"O=C(O)Cc1ccccc1","O=C(O)Cc1ccccc1"]
[941,"103-83-3","CN(C)Cc1ccccc1","CN(C)Cc1ccccc1",null,"CN(C)Cc1ccccc1","CN(C)Cc1ccccc1",null,"CN(C)Cc1ccccc1","CN(C)Cc1ccccc1",null,"CN(C)Cc1ccccc1","CN(C)Cc1ccccc1"]
[942,"103-84-4","CC(=O)Nc1ccccc1","CC(=O)Nc1ccccc1",null,"CC(=O)Nc1ccccc1","CC(=O)Nc1ccccc1",null,"CC(=O)Nc1ccccc1","CC(=O)Nc1ccccc1",null,"CC(=O)Nc1ccccc1","CC(=O)Nc1ccccc1"]
[943,"103-85-5","NC(=S)Nc1ccccc1","NC(=S)Nc1ccccc1",null,"NC(=S)Nc1ccccc1","NC(=S)Nc1ccccc1",null,"NC(=S)Nc1ccccc1","NC(=S)Nc1ccccc1",null,"NC(=S)Nc1ccccc1","NC(=S)Nc1ccccc1"]
[944,"103-89-9","CC(=O)Nc1ccc(C)cc1","CC(=O)Nc1ccc(cc1)C",null,"CC(=O)Nc1ccc(C)cc1","CC(=O)Nc1ccc(cc1)C",null,"CC(=O)Nc1ccc(C)cc1","CC(=O)Nc1ccc(cc1)C",null,"CC(=O)Nc1ccc(C)cc1","CC(=O)Nc1ccc(cc1)C"]
[945,"103-90-2","CC(=O)Nc1ccc(O)cc1","CC(=O)Nc1ccc(cc1)O",null,"CC(=O)Nc1ccc(O)cc1","CC(=O)Nc1ccc(cc1)O",null,"CC(=O)Nc1ccc(O)cc1","CC(=O)Nc1ccc(cc1)O",null,"CC(=O)Nc1ccc(O)cc1","CC(=O)Nc1ccc(cc1)O"]
[946,"104-04-1","CC(=O)Nc1ccc([N+](=O)[O-])cc1","CC(=O)Nc1ccc(cc1)[N+](=O)[O-]",null,"CC(=O)Nc1ccc([N+](=O)[O-])cc1","CC(=O)Nc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},"CC(=O)Nc1ccc([N+](=O)[O-])cc1","CC(=O)Nc1ccc(cc1)[N+](=O)[O-]"]
[947,"104-06-3","CC(=O)Nc1ccc(C=NNC(N)=S)cc1","CC(=O)Nc1ccc(cc1)C=NNC(N)=S",null,"CC(=O)Nc1ccc(C=NNC(N)=S)cc1","CC(=O)Nc1ccc(cc1)C=NNC(N)=S",{"$nulls":4},"CC(=O)Nc1ccc(C=NNC(N)=S)cc1","CC(=O)Nc1ccc(cc1)C=NNC(N)=S"]
[948,"104-15-4","Cc1ccc(S(=O)(=O)O)cc1","Cc1ccc(cc1)S(=O)(=O)O",null,"Cc1ccc(S(=O)(=O)O)cc1","Cc1ccc(cc1)S(=O)(=O)O",null,"Cc1ccc(S(=O)(=O)O)cc1","Cc1ccc(cc1)S(=O)(=O)O",null,"Cc1ccc(S(=O)(=O)O)cc1","Cc1ccc(cc1)S(=O)(=O)O"]
[949,"104-22-3","NS(=O)(=O)c1ccc(NCc2ccccc2)cc1","NS(=O)(=O)c1ccc(cc1)NCc2ccccc2",null,"Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1","Nc1ccc(cc1)S(=O)(=O)NCc2ccccc2",{"$nulls":4},"Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1","Nc1ccc(cc1)S(=O)(=O)NCc2ccccc2"]
[950,"104-28-9",{"$nulls":3},"CCOCCOC(=O)C=Cc1ccc(OC)cc1","CCOCCOC(=O)C=Cc1ccc(cc1)OC",{"$nulls":4},"CCOCCOC(=O)C=Cc1ccc(OC)cc1","CCOCCOC(=O)C=Cc1ccc(cc1)OC"]
[951,"104-29-0","OCC(O)COc1ccc(Cl)cc1","OCC(O)COc1ccc(cc1)Cl",null,"OCC(O)COc1ccc(Cl)cc1","OCC(O)COc1ccc(cc1)Cl",null,"OCC(O)COc1ccc(Cl)cc1","OCC(O)COc1ccc(cc1)Cl",null,"OCC(O)COc1ccc(Cl)cc1","OCC(O)COc1ccc(cc1)Cl"]
[952,"104-40-5","CCCCCCCCCc1ccc(O)cc1","CCCCCCCCCc1ccc(cc1)O",null,"CCCCCCCCCc1ccc(O)cc1","CCCCCCCCCc1ccc(cc1)O",null,"CCCCCCCCCc1ccc(O)cc1","CCCCCCCCCc1ccc(cc1)O"]
[953,"104-46-1","CC=Cc1ccc(OC)cc1","CC=Cc1ccc(cc1)OC",null,"CC=Cc1ccc(OC)cc1","CC=Cc1ccc(cc1)OC",null,"CC=Cc1ccc(OC)cc1","CC=Cc1ccc(cc1)OC",null,"CC=Cc1ccc(OC)cc1","CC=Cc1ccc(cc1)OC"]
[954,"104-51-8","CCCCc1ccccc1","CCCCc1ccccc1",null,"CCCCc1ccccc1","CCCCc1ccccc1",null,"CCCCc1ccccc1","CCCCc1ccccc1",null,"CCCCc1ccccc1","CCCCc1ccccc1"]
[955,"104-55-2","O=CC=Cc1ccccc1","O=CC=Cc1ccccc1",null,"O=CC=Cc1ccccc1","O=CC=Cc1ccccc1",null,"O=CC=Cc1ccccc1","O=CC=Cc1ccccc1",null,"O=CC=Cc1ccccc1","O=CC=Cc1ccccc1"]
[956,"104-72-3","CCCCCCCCCCc1ccccc1","CCCCCCCCCCc1ccccc1",null,"CCCCCCCCCCc1ccccc1","CCCCCCCCCCc1ccccc1",null,"CCCCCCCCCCc1ccccc1","CCCCCCCCCCc1ccccc1",null,"CCCCCCCCCCc1ccccc1","CCCCCCCCCCc1ccccc1"]
[957,"104-75-6","CCCCC(CC)CN","CCCCC(CC)CN",null,"CCCCC(CC)CN","CCCCC(CC)CN",null,"CCCCC(CC)CN","CCCCC(CC)CN",null,"CCCCC(CC)CN","CCCCC(CC)CN"]
[958,"104-76-7","CCCCC(CC)CO","CCCCC(CC)CO",null,"CCCCC(CC)CO","CCCCC(CC)CO",{"$nulls":4},"CCCCC(CC)CO","CCCCC(CC)CO"]
[959,"104-80-3","OCC1CCC(CO)O1","OCC1OC(CC1)CO",null,"OCC1CCC(CO)O1","OCC1OC(CC1)CO"]
[960,"104-87-0","Cc1ccc(C=O)cc1","Cc1ccc(cc1)C=O",null,"Cc1ccc(C=O)cc1","Cc1ccc(cc1)C=O",null,"Cc1ccc(C=O)cc1","Cc1ccc(cc1)C=O",null,"Cc1ccc(C=O)cc1","Cc1ccc(cc1)C=O"]
[961,"104-90-5","CCc1ccc(C)nc1","CCc1cnc(cc1)C",null,"CCc1ccc(C)nc1","CCc1cnc(cc1)C",null,"CCc1ccc(C)nc1","CCc1cnc(cc1)C",null,"CCc1ccc(C)nc1","CCc1cnc(cc1)C"]
[962,"104-94-9","COc1ccc(N)cc1","COc1ccc(cc1)N",null,"COc1ccc(N)cc1","COc1ccc(cc1)N",null,"COc1ccc(N)cc1","COc1ccc(cc1)N",null,"COc1ccc(N)cc1","COc1ccc(cc1)N"]
[963,"104-98-3","O=C(O)C=Cc1c[nH]cn1","O=C(O)C=Cc1nc[nH]c1",null,"O=C(O)C=Cc1cnc[nH]1","O=C(O)C=Cc1[nH]cnc1",{"$nulls":4},"O=C(O)C=Cc1c[nH]cn1","O=C(O)C=Cc1nc[nH]c1"]
[964,"105-05-5","CCc1ccc(CC)cc1","CCc1ccc(cc1)CC",null,"CCc1ccc(CC)cc1","CCc1ccc(cc1)CC",null,"CCc1ccc(CC)cc1","CCc1ccc(cc1)CC",null,"CCc1ccc(CC)cc1","CCc1ccc(cc1)CC"]
[965,"105-13-5","COc1ccc(CO)cc1","COc1ccc(cc1)CO",null,"COc1ccc(CO)cc1","COc1ccc(cc1)CO",null,"COc1ccc(CO)cc1","COc1ccc(cc1)CO",null,"COc1ccc(CO)cc1","COc1ccc(cc1)CO"]
[966,"105-30-6","CCCC(C)CO","CCCC(C)CO",null,"CCCC(C)CO","CCCC(C)CO",null,"CCCC(C)CO","CCCC(C)CO",null,"CCCC(C)CO","CCCC(C)CO"]
[967,"105-31-7","C#CC(O)CCC","C#CC(O)CCC",null,"C#CC(O)CCC","C#CC(O)CCC",null,"C#CC(O)CCC","C#CC(O)CCC",null,"C#CC(O)CCC","C#CC(O)CCC"]
[968,"105-37-3","CCOC(=O)CC","CCOC(=O)CC",null,"CCOC(=O)CC","CCOC(=O)CC",null,"CCOC(=O)CC","CCOC(=O)CC",null,"CCOC(=O)CC","CCOC(=O)CC"]
[969,"105-39-5","CCOC(=O)CCl","CCOC(=O)CCl",null,"CCOC(=O)CCl","CCOC(=O)CCl",null,"CCOC(=O)CCl","CCOC(=O)CCl",null,"CCOC(=O)CCl","CCOC(=O)CCl"]
[970,"105-40-8",{"$nulls":3},"CCOC(=O)NC","CCOC(=O)NC",null,"CCOC(=O)NC","CCOC(=O)NC",null,"CCOC(=O)NC","CCOC(=O)NC"]
[971,"105-45-3","COC(=O)CC(C)=O","COC(=O)CC(C)=O",null,"COC(=O)CC(C)=O","COC(=O)CC(C)=O",null,"COC(=O)CC(C)=O","COC(=O)CC(C)=O",null,"COC(=O)CC(C)=O","COC(=O)CC(C)=O"]
[972,"105-46-4",{"$nulls":3},"CCC(C)OC(C)=O","CCC(C)OC(C)=O",null,"CCC(C)OC(C)=O","CCC(C)OC(C)=O",null,"CCC(C)OC(C)=O","CCC(C)OC(C)=O"]
[973,"105-53-3","CCOC(=O)CC(=O)OCC","CCOC(=O)CC(=O)OCC",null,"CCOC(=O)CC(=O)OCC","CCOC(=O)CC(=O)OCC",null,"CCOC(=O)CC(=O)OCC","CCOC(=O)CC(=O)OCC",null,"CCOC(=O)CC(=O)OCC","CCOC(=O)CC(=O)OCC"]
[974,"105-54-4","CCCC(=O)OCC","CCCC(=O)OCC",null,"CCCC(=O)OCC","CCCC(=O)OCC",null,"CCCC(=O)OCC","CCCC(=O)OCC",null,"CCCC(=O)OCC","CCCC(=O)OCC"]
[975,"105-55-5","CCN(CC)C(N)=S","CCN(CC)C(N)=S",null,"CCNC(=S)NCC","CCNC(=S)NCC",{"$nulls":4},"CCNC(=S)NCC","CCNC(=S)NCC"]
[976,"105-56-6","CCOC(=O)CC#N","CCOC(=O)CC#N",null,"CCOC(=O)CC#N","CCOC(=O)CC#N",null,"CCOC(=O)CC#N","CCOC(=O)CC#N",null,"CCOC(=O)CC#N","CCOC(=O)CC#N"]
[977,"105-57-7","CCOC(C)OCC","CCOC(C)OCC",null,"CCOC(C)OCC","CCOC(C)OCC",null,"CCOC(C)OCC","CCOC(C)OCC",null,"CCOC(C)OCC","CCOC(C)OCC"]
[978,"105-58-8","CCOC(=O)OCC","CCOC(=O)OCC",null,"CCOC(=O)OCC","CCOC(=O)OCC",null,"CCOC(=O)OCC","CCOC(=O)OCC",null,"CCOC(=O)OCC","CCOC(=O)OCC"]
[979,"105-59-9","CN(CCO)CCO","CN(CCO)CCO",null,"CN(CCO)CCO","CN(CCO)CCO",null,"CN(CCO)CCO","CN(CCO)CCO",null,"CN(CCO)CCO","CN(CCO)CCO"]
[980,"105-60-2","O=C1CCCCCN1","O=C1NCCCCC1",null,"O=C1CCCCCN1","O=C1NCCCCC1",null,"O=C1CCCCCN1","O=C1NCCCCC1",null,"O=C1CCCCCN1","O=C1NCCCCC1"]
[981,"105-66-8",{"$nulls":3},"CCCOC(=O)CCC","CCCOC(=O)CCC",null,"CCCOC(=O)CCC","CCCOC(=O)CCC",null,"CCCOC(=O)CCC","CCCOC(=O)CCC"]
[982,"105-67-9","Cc1ccc(O)c(C)c1","Cc1cc(c(cc1)O)C",null,"Cc1ccc(O)c(C)c1","Cc1cc(c(cc1)O)C",null,"Cc1ccc(O)c(C)c1","Cc1cc(c(cc1)O)C",null,"Cc1ccc(O)c(C)c1","Cc1cc(c(cc1)O)C"]
[983,"105-72-6","CCCC(=O)OCCOC(=O)CCC","CCCC(=O)OCCOC(=O)CCC",null,"CCCC(=O)OCCOC(=O)CCC","CCCC(=O)OCCOC(=O)CCC"]
[984,"105-76-0","CCCCOC(=O)C=CC(=O)OCCCC","CCCCOC(=O)C=CC(=O)OCCCC",null,"CCCCOC(=O)C=CC(=O)OCCCC","CCCCOC(=O)C=CC(=O)OCCCC",null,"CCCCOC(=O)C=CC(=O)OCCCC","CCCCOC(=O)C=CC(=O)OCCCC",null,"CCCCOC(=O)C=CC(=O)OCCCC","CCCCOC(=O)C=CC(=O)OCCCC"]
[985,"106-00-3","COCCOC(=O)CCCCC(=O)OCCOC","COCCOC(=O)CCCCC(=O)OCCOC",null,"COCCOC(=O)CCCCC(=O)OCCOC","COCCOC(=O)CCCCC(=O)OCCOC",null,"COCCOC(=O)CCCCC(=O)OCCOC","COCCOC(=O)CCCCC(=O)OCCOC",null,"COCCOC(=O)CCCCC(=O)OCCOC","COCCOC(=O)CCCCC(=O)OCCOC"]
[986,"106-24-1","CC(C)=CCCC(C)=CCO","CC(C)=CCCC(C)=CCO",null,"CC(C)=CCCC(C)=CCO","CC(C)=CCCC(C)=CCO",{"$nulls":4},"CC(C)=CCCC(C)=CCO","CC(C)=CCCC(C)=CCO"]
[987,"106-25-2","CC(C)=CCCC(C)=CCO","CC(C)=CCCC(C)=CCO",null,"CC(C)=CCCC(C)=CCO","CC(C)=CCCC(C)=CCO",null,"CC(C)=CCCC(C)=CCO","CC(C)=CCCC(C)=CCO",null,"CC(C)=CCCC(C)=CCO","CC(C)=CCCC(C)=CCO"]
[988,"106-30-9","CCCCCCC(=O)OCC","CCCCCCC(=O)OCC",null,"CCCCCCC(=O)OCC","CCCCCCC(=O)OCC",null,"CCCCCCC(=O)OCC","CCCCCCC(=O)OCC",null,"CCCCCCC(=O)OCC","CCCCCCC(=O)OCC"]
[989,"106-32-1","CCCCCCCC(=O)OCC","CCCCCCCC(=O)OCC",null,"CCCCCCCC(=O)OCC","CCCCCCCC(=O)OCC",null,"CCCCCCCC(=O)OCC","CCCCCCCC(=O)OCC",null,"CCCCCCCC(=O)OCC","CCCCCCCC(=O)OCC"]
[990,"106-34-3","Oc1ccc(O)cc1","Oc1ccc(cc1)O","O=C1C=CC(=O)C=C1(1)","Oc1ccc(O)cc1","Oc1ccc(cc1)O","O=C1C=CC(=O)C=C1(1)","Oc1ccc(O)cc1","Oc1ccc(cc1)O","O=C1C=CC(=O)C=C1(1)","Oc1ccc(O)cc1","Oc1ccc(cc1)O","O=C1C=CC(=O)C=C1(1)",null,"Organic counterion"]
[991,"106-35-4","CCCCC(=O)CC","CCCCC(=O)CC",null,"CCCCC(=O)CC","CCCCC(=O)CC",null,"CCCCC(=O)CC","CCCCC(=O)CC",null,"CCCCC(=O)CC","CCCCC(=O)CC"]
[992,"106-36-5",{"$nulls":3},"CCCOC(=O)CC","CCCOC(=O)CC",null,"CCCOC(=O)CC","CCCOC(=O)CC",null,"CCCOC(=O)CC","CCCOC(=O)CC"]
[993,"106-37-6","Brc1ccc(Br)cc1","Brc1ccc(cc1)Br",null,"Brc1ccc(Br)cc1","Brc1ccc(cc1)Br",null,"Brc1ccc(Br)cc1","Brc1ccc(cc1)Br",null,"Brc1ccc(Br)cc1","Brc1ccc(cc1)Br"]
[994,"106-38-7","Cc1ccc(Br)cc1","Cc1ccc(cc1)Br",null,"Cc1ccc(Br)cc1","Cc1ccc(cc1)Br",null,"Cc1ccc(Br)cc1","Cc1ccc(cc1)Br",null,"Cc1ccc(Br)cc1","Cc1ccc(cc1)Br"]
[995,"106-39-8","Clc1ccc(Br)cc1","Clc1ccc(cc1)Br",null,"Clc1ccc(Br)cc1","Clc1ccc(cc1)Br",null,"Clc1ccc(Br)cc1","Clc1ccc(cc1)Br",null,"Clc1ccc(Br)cc1","Clc1ccc(cc1)Br"]
[996,"106-41-2","Oc1ccc(Br)cc1","Oc1ccc(cc1)Br",null,"Oc1ccc(Br)cc1","Oc1ccc(cc1)Br",null,"Oc1ccc(Br)cc1","Oc1ccc(cc1)Br",null,"Oc1ccc(Br)cc1","Oc1ccc(cc1)Br"]
[997,"106-42-3","Cc1ccc(C)cc1","Cc1ccc(cc1)C",null,"Cc1ccc(C)cc1","Cc1ccc(cc1)C",null,"Cc1ccc(C)cc1","Cc1ccc(cc1)C",null,"Cc1ccc(C)cc1","Cc1ccc(cc1)C"]
[998,"106-43-4","Cc1ccc(Cl)cc1","Cc1ccc(cc1)Cl",null,"Cc1ccc(Cl)cc1","Cc1ccc(cc1)Cl",null,"Cc1ccc(Cl)cc1","Cc1ccc(cc1)Cl",null,"Cc1ccc(Cl)cc1","Cc1ccc(cc1)Cl"]
[999,"106-44-5","Cc1ccc(O)cc1","Cc1ccc(cc1)O",null,"Cc1ccc(O)cc1","Cc1ccc(cc1)O",null,"Cc1ccc(O)cc1","Cc1ccc(cc1)O",null,"Cc1ccc(O)cc1","Cc1ccc(cc1)O"]
[1000,"106-46-7","Clc1ccc(Cl)cc1","Clc1ccc(cc1)Cl",null,"Clc1ccc(Cl)cc1","Clc1ccc(cc1)Cl",null,"Clc1ccc(Cl)cc1","Clc1ccc(cc1)Cl",null,"Clc1ccc(Cl)cc1","Clc1ccc(cc1)Cl"]
[1001,"106-47-8","Nc1ccc(Cl)cc1","Nc1ccc(cc1)Cl",null,"Nc1ccc(Cl)cc1","Nc1ccc(cc1)Cl",null,"Nc1ccc(Cl)cc1","Nc1ccc(cc1)Cl",null,"Nc1ccc(Cl)cc1","Nc1ccc(cc1)Cl"]
[1002,"106-48-9","Oc1ccc(Cl)cc1","Oc1ccc(cc1)Cl",null,"Oc1ccc(Cl)cc1","Oc1ccc(cc1)Cl",null,"Oc1ccc(Cl)cc1","Oc1ccc(cc1)Cl",null,"Oc1ccc(Cl)cc1","Oc1ccc(cc1)Cl"]
[1003,"106-49-0","Cc1ccc(N)cc1","Cc1ccc(cc1)N",null,"Cc1ccc(N)cc1","Cc1ccc(cc1)N",null,"Cc1ccc(N)cc1","Cc1ccc(cc1)N",null,"Cc1ccc(N)cc1","Cc1ccc(cc1)N"]
[1004,"106-50-3","Nc1ccc(N)cc1","Nc1ccc(cc1)N",null,"Nc1ccc(N)cc1","Nc1ccc(cc1)N",null,"Nc1ccc(N)cc1","Nc1ccc(cc1)N",null,"Nc1ccc(N)cc1","Nc1ccc(cc1)N"]
[1005,"106-51-4","O=C1C=CC(=O)C=C1","O=C1C=CC(C=C1)=O",null,"O=C1C=CC(=O)C=C1","O=C1C=CC(C=C1)=O",null,"O=C1C=CC(=O)C=C1","O=C1C=CC(C=C1)=O",null,"O=C1C=CC(=O)C=C1","O=C1C=CC(C=C1)=O"]
[1006,"106-57-0","O=C1CNC(=O)CN1","O=C1NCC(NC1)=O",null,"O=C1CNC(=O)CN1","O=C1NCC(NC1)=O",null,"O=C1CNC(=O)CN1","O=C1NCC(NC1)=O",null,"O=C1CNC(=O)CN1","O=C1NCC(NC1)=O"]
[1007,"106-62-7","CC(O)COC(C)CO","CC(O)COC(C)CO",null,"CC(O)COC(C)CO","CC(O)COC(C)CO",null,"CC(O)COC(C)CO","CC(O)COC(C)CO",null,"CC(O)COC(C)CO","CC(O)COC(C)CO"]
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[1281,"115-32-2","OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl","OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C(Cl)(Cl)Cl",null,"OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl","OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C(Cl)(Cl)Cl",null,"OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl","OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C(Cl)(Cl)Cl",null,"OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl","OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C(Cl)(Cl)Cl"]
[1282,"115-37-7","COC1=CC=C2C3Cc4ccc(OC)c5c4C2(CCN3C)C1O5","COC=1C2C34C(=CC1)C(N(CC3)C)Cc5c4c(c(cc5)OC)O2",null,"COC1=CC=C2C3Cc4ccc(OC)c5c4C2(CCN3C)C1O5","COC=1C2C34C(=CC1)C(N(CC3)C)Cc5c4c(c(cc5)OC)O2",null,"COC1=CC=C2C3Cc4ccc(OC)c5c4C2(CCN3C)C1O5","COC=1C2C34C(=CC1)C(N(CC3)C)Cc5c4c(c(cc5)OC)O2",null,"COC1=CC=C2C3Cc4ccc(OC)c5c4C2(CCN3C)C1O5","COC=1C2C34C(=CC1)C(N(CC3)C)Cc5c4c(c(cc5)OC)O2"]
[1283,"115-43-5","C=CCC1(c2ccccc2)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)c2ccccc2",null,"C=CCC1(c2ccccc2)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)c2ccccc2",null,"C=CCC1(c2ccccc2)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)c2ccccc2",null,"C=CCC1(c2ccccc2)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)c2ccccc2"]
[1284,"115-58-2",{"$nulls":3},"CCCCCC1(CC)C(=O)NC(=O)NC1=O","CCCCCC1(C(NC(NC1=O)=O)=O)CC",{"$nulls":4},"CCCCCC1(CC)C(=O)NC(=O)NC1=O","CCCCCC1(C(NC(NC1=O)=O)=O)CC"]
[1285,"115-69-5","CC(C)(N)C(O)O","CC(C)(N)C(O)O",null,"CC(N)(CO)CO","CC(N)(CO)CO",null,"CC(N)(CO)CO","CC(N)(CO)CO",null,"CC(N)(CO)CO","CC(N)(CO)CO"]
[1286,"115-70-8","CCC(N)(CO)CO","CCC(N)(CO)CO",null,"CCC(N)(CO)CO","CCC(N)(CO)CO",null,"CCC(N)(CO)CO","CCC(N)(CO)CO",null,"CCC(N)(CO)CO","CCC(N)(CO)CO"]
[1287,"115-76-4","CCC(CC)(CO)CO","CCC(CC)(CO)CO",null,"CCC(CC)(CO)CO","CCC(CC)(CO)CO",null,"CCC(CC)(CO)CO","CCC(CC)(CO)CO",null,"CCC(CC)(CO)CO","CCC(CC)(CO)CO"]
[1288,"115-77-5","OCC(CO)(CO)CO","OCC(CO)(CO)CO",null,"OCC(CO)(CO)CO","OCC(CO)(CO)CO",null,"OCC(CO)(CO)CO","OCC(CO)(CO)CO",null,"OCC(CO)(CO)CO","OCC(CO)(CO)CO"]
[1289,"115-86-6","O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3",null,"O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3",null,"O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3",null,"O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3"]
[1290,"115-88-8",{"$nulls":3},"CCCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1","CCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2",{"$nulls":4},"CCCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1","CCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2"]
[1291,"115-89-9","O=P([O-])([O-])OC(c1ccccc1)c1ccccc1","O=P(O)(O)OC(c1ccccc1)c2ccccc2",null,"COP(=O)(Oc1ccccc1)Oc1ccccc1","COP(=O)(Oc1ccccc1)Oc2ccccc2",{"$nulls":4},"COP(=O)(Oc1ccccc1)Oc1ccccc1","COP(=O)(Oc1ccccc1)Oc2ccccc2"]
[1292,"115-90-2","CCOP(=S)(OCC)Oc1ccc(S(C)=O)cc1","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O",null,"CCOP(=S)(OCC)Oc1ccc(S(C)=O)cc1","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O",null,"CCOP(=S)(OCC)Oc1ccc(S(C)=O)cc1","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O",null,"CCOP(=S)(OCC)Oc1ccc(S(C)=O)cc1","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O"]
[1293,"115-96-8",{"$nulls":3},"O=P(OCCCl)(OCCCl)OCCCl","O=P(OCCCl)(OCCCl)OCCCl",null,"O=P(OCCCl)(OCCCl)OCCCl","O=P(OCCCl)(OCCCl)OCCCl",null,"O=P(OCCCl)(OCCCl)OCCCl","O=P(OCCCl)(OCCCl)OCCCl"]
[1294,"116-01-8","CCNC(=O)CSP(=S)(OC)OC","CCNC(=O)CSP(=S)(OC)OC",null,"CCNC(=O)CSP(=S)(OC)OC","CCNC(=O)CSP(=S)(OC)OC",null,"CCNC(=O)CSP(=S)(OC)OC","CCNC(=O)CSP(=S)(OC)OC",null,"CCNC(=O)CSP(=S)(OC)OC","CCNC(=O)CSP(=S)(OC)OC"]
[1295,"116-06-3","CNC(=O)ON=CC(C)(C)SC","CNC(=O)ON=CC(C)(C)SC",null,"CNC(=O)ON=CC(C)(C)SC","CNC(=O)ON=CC(C)(C)SC",null,"CNC(=O)ON=CC(C)(C)SC","CNC(=O)ON=CC(C)(C)SC",null,"CNC(=O)ON=CC(C)(C)SC","CNC(=O)ON=CC(C)(C)SC"]
[1296,"116-09-6","CC(=O)CO","CC(=O)CO",null,"CC(=O)CO","CC(=O)CO",null,"CC(=O)CO","CC(=O)CO",null,"CC(=O)CO","CC(=O)CO"]
[1297,"116-11-0","C=C(C)OC","C=C(C)OC",null,"C=C(C)OC","C=C(C)OC",null,"C=C(C)OC","C=C(C)OC",null,"C=C(C)OC","C=C(C)OC"]
[1298,"116-14-3","FC(F)=C(F)F","FC(F)=C(F)F",null,"FC(F)=C(F)F","FC(F)=C(F)F",null,"FC(F)=C(F)F","FC(F)=C(F)F",null,"FC(F)=C(F)F","FC(F)=C(F)F"]
[1299,"116-25-6","CC1(C)C(=O)NC(=O)N1CO","CC1(N(C(NC1=O)=O)CO)C",null,"CC1(C)C(=O)NC(=O)N1CO","CC1(N(C(NC1=O)=O)CO)C",null,"CC1(C)C(=O)NC(=O)N1CO","CC1(N(C(NC1=O)=O)CO)C",null,"CC1(C)C(=O)NC(=O)N1CO","CC1(N(C(NC1=O)=O)CO)C"]
[1300,"116-29-0","O=S(=O)(c1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl","O=S(=O)(c1ccc(cc1)Cl)c2c(cc(c(c2)Cl)Cl)Cl",null,"O=S(=O)(c1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl","O=S(=O)(c1ccc(cc1)Cl)c2c(cc(c(c2)Cl)Cl)Cl",null,"O=S(=O)(c1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl","O=S(=O)(c1ccc(cc1)Cl)c2c(cc(c(c2)Cl)Cl)Cl",null,"O=S(=O)(c1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl","O=S(=O)(c1ccc(cc1)Cl)c2c(cc(c(c2)Cl)Cl)Cl"]
[1301,"116-44-9","Nc1ccc(S(=O)(=O)Nc2cnccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nccnc2",null,"Nc1ccc(S(=O)(=O)Nc2cnccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nccnc2",null,"Nc1ccc(S(=O)(=O)Nc2cnccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nccnc2",null,"Nc1ccc(S(=O)(=O)Nc2cnccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nccnc2"]
[1302,"116-47-2","N#CNS(=O)(=O)c1ccc(N)cc1","N#CNS(=O)(=O)c1ccc(cc1)N",null,"N#CNS(=O)(=O)c1ccc(N)cc1","N#CNS(=O)(=O)c1ccc(cc1)N",null,"N#CNS(=O)(=O)c1ccc(N)cc1","N#CNS(=O)(=O)c1ccc(cc1)N",null,"N#CNS(=O)(=O)c1ccc(N)cc1","N#CNS(=O)(=O)c1ccc(cc1)N"]
[1303,"116-53-0","CCC(C)C(=O)O","CCC(C)C(=O)O",null,"CCC(C)C(=O)O","CCC(C)C(=O)O",null,"CCC(C)C(=O)O","CCC(C)C(=O)O",null,"CCC(C)C(=O)O","CCC(C)C(=O)O"]
[1304,"116-85-8","Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O","Nc1c2c(c(cc1)O)C(c3c(C2=O)cccc3)=O",null,"Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O","Nc1c2c(c(cc1)O)C(c3c(C2=O)cccc3)=O",null,"Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O","Nc1c2c(c(cc1)O)C(c3c(C2=O)cccc3)=O",null,"Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O","Nc1c2c(c(cc1)O)C(c3c(C2=O)cccc3)=O"]
[1305,"117-14-6","O=C1C=CC=c2cc3c(cc21)=CC(S(=O)(=O)O)=C(S(=O)(=O)O)C3=O","O=C1c2c(=CC=C1)cc3C(C(=C(C=c3c2)S(=O)(=O)O)S(=O)(=O)O)=O",null,"O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2cccc(S(=O)(=O)O)c21","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)cccc2S(=O)(=O)O",null,"O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2cccc(S(=O)(=O)O)c21","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)cccc2S(=O)(=O)O",null,"O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2cccc(S(=O)(=O)O)c21","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)cccc2S(=O)(=O)O"]
[1306,"117-18-0","O=[N+]([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl","O=[N+]([O-])c1c(c(cc(c1Cl)Cl)Cl)Cl",null,"O=[N+]([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl","O=[N+]([O-])c1c(c(cc(c1Cl)Cl)Cl)Cl",null,"O=[N+]([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl","O=[N+]([O-])c1c(c(cc(c1Cl)Cl)Cl)Cl",null,"O=[N+]([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl","O=[N+]([O-])c1c(c(cc(c1Cl)Cl)Cl)Cl"]
[1307,"117-34-0","O=C(O)C(c1ccccc1)c1ccccc1","O=C(O)C(c1ccccc1)c2ccccc2",null,"O=C(O)C(c1ccccc1)c1ccccc1","O=C(O)C(c1ccccc1)c2ccccc2",null,"O=C(O)C(c1ccccc1)c1ccccc1","O=C(O)C(c1ccccc1)c2ccccc2",null,"O=C(O)C(c1ccccc1)c1ccccc1","O=C(O)C(c1ccccc1)c2ccccc2"]
[1308,"117-39-5","O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12","O=c1c2c(oc(c1O)-c3cc(c(cc3)O)O)cc(O)cc2O",null,"O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12","O=c1c2c(oc(c1O)-c3cc(c(cc3)O)O)cc(O)cc2O",null,"O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12","O=c1c2c(oc(c1O)-c3cc(c(cc3)O)O)cc(O)cc2O",null,"O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12","O=c1c2c(oc(c1O)-c3cc(c(cc3)O)O)cc(O)cc2O"]
[1309,"117-79-3","Nc1ccc2c(c1)C(=O)c1ccccc1C2=O","Nc1cc2c(cc1)C(c3c(C2=O)cccc3)=O",null,"Nc1ccc2c(c1)C(=O)c1ccccc1C2=O","Nc1cc2c(cc1)C(c3c(C2=O)cccc3)=O",null,"Nc1ccc2c(c1)C(=O)c1ccccc1C2=O","Nc1cc2c(cc1)C(c3c(C2=O)cccc3)=O",null,"Nc1ccc2c(c1)C(=O)c1ccccc1C2=O","Nc1cc2c(cc1)C(c3c(C2=O)cccc3)=O"]
[1310,"117-80-6","O=C1C(Cl)=C(Cl)C(=O)c2ccccc21","O=C1c2c(C(C(=C1Cl)Cl)=O)cccc2",null,"O=C1C(Cl)=C(Cl)C(=O)c2ccccc21","O=C1c2c(C(C(=C1Cl)Cl)=O)cccc2",null,"O=C1C(Cl)=C(Cl)C(=O)c2ccccc21","O=C1c2c(C(C(=C1Cl)Cl)=O)cccc2",null,"O=C1C(Cl)=C(Cl)C(=O)c2ccccc21","O=C1c2c(C(C(=C1Cl)Cl)=O)cccc2"]
[1311,"117-81-7","CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC",null,"CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC",null,"CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC"]
[1312,"117-82-8","COC(C)OC(=O)c1ccccc1C(=O)OC(C)OC","COC(C)OC(=O)c1c(cccc1)C(=O)OC(C)OC",null,"COCCOC(=O)c1ccccc1C(=O)OCCOC","COCCOC(=O)c1c(cccc1)C(=O)OCCOC",null,"COCCOC(=O)c1ccccc1C(=O)OCCOC","COCCOC(=O)c1c(cccc1)C(=O)OCCOC",null,"COCCOC(=O)c1ccccc1C(=O)OCCOC","COCCOC(=O)c1c(cccc1)C(=O)OCCOC"]
[1313,"117-84-0","CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC","CCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC",null,"CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC","CCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC",null,"CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC",null,"CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC","CCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC"]
[1314,"117-89-5",{"$nulls":3},"CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1","CN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3",{"$nulls":4},"CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1","CN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3"]
[1315,"118-00-3","Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1","Nc1[nH]c(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)=O",null,"Nc1nc(=O)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1","Nc1[nH]c2c(c(n1)=O)ncn2C3C(C(C(O3)CO)O)O",null,"Nc1nc(=O)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1","Nc1[nH]c2c(c(n1)=O)ncn2C3C(C(C(O3)CO)O)O",null,"Nc1nc(=O)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1","Nc1[nH]c2c(c(n1)=O)ncn2C3C(C(C(O3)CO)O)O"]
[1316,"118-08-1","COc1ccc2c(c1OC)C(=O)OC2C1c2cc3c(cc2CCN1C)OCO3","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3cc5OCOc5c4)C)OC",null,"COc1ccc2c(c1OC)C(=O)OC2C1c2cc3c(cc2CCN1C)OCO3","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3cc5OCOc5c4)C)OC",null,"COc1ccc2c(c1OC)C(=O)OC2C1c2cc3c(cc2CCN1C)OCO3","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3cc5OCOc5c4)C)OC",null,"COc1ccc2c(c1OC)C(=O)OC2C1c2cc3c(cc2CCN1C)OCO3","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3cc5OCOc5c4)C)OC"]
[1317,"118-10-5","C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",null,"C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",null,"C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",null,"C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4"]
[1318,"118-33-2","Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1","Nc1cc2c(cc1)c(S(=O)(=O)O)cc(S(=O)(=O)O)c2",null,"Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1","Nc1cc2c(cc1)c(S(=O)(=O)O)cc(S(=O)(=O)O)c2",null,"Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1","Nc1cc2c(cc1)c(S(=O)(=O)O)cc(S(=O)(=O)O)c2",null,"Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1","Nc1cc2c(cc1)c(S(=O)(=O)O)cc(S(=O)(=O)O)c2"]
[1319,"118-44-5","CCNc1cccc2ccccc12","CCNc1c2c(ccc1)cccc2",null,"CCNc1cccc2ccccc12","CCNc1c2c(ccc1)cccc2",null,"CCNc1cccc2ccccc12","CCNc1c2c(ccc1)cccc2",null,"CCNc1cccc2ccccc12","CCNc1c2c(ccc1)cccc2"]
[1320,"118-52-5","CC1(C)C(=O)N(Cl)C(=O)N1Cl","CC1(N(C(N(C1=O)Cl)=O)Cl)C",null,"CC1(C)C(=O)N(Cl)C(=O)N1Cl","CC1(N(C(N(C1=O)Cl)=O)Cl)C",null,"CC1(C)C(=O)N(Cl)C(=O)N1Cl","CC1(N(C(N(C1=O)Cl)=O)Cl)C",null,"CC1(C)C(=O)N(Cl)C(=O)N1Cl","CC1(N(C(N(C1=O)Cl)=O)Cl)C"]
[1321,"118-55-8","O=C(Oc1ccccc1)c1ccccc1O","O=C(Oc1ccccc1)c2c(cccc2)O",null,"O=C(Oc1ccccc1)c1ccccc1O","O=C(Oc1ccccc1)c2c(cccc2)O",null,"O=C(Oc1ccccc1)c1ccccc1O","O=C(Oc1ccccc1)c2c(cccc2)O",null,"O=C(Oc1ccccc1)c1ccccc1O","O=C(Oc1ccccc1)c2c(cccc2)O"]
[1322,"118-71-8","Cc1occc(=O)c1O","Cc1c(c(cco1)=O)O",null,"Cc1occc(=O)c1O","Cc1c(c(cco1)=O)O",null,"Cc1occc(=O)c1O","Cc1c(c(cco1)=O)O",null,"Cc1occc(=O)c1O","Cc1c(c(cco1)=O)O"]
[1323,"118-74-1","Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",null,"Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",null,"Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",null,"Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl"]
[1324,"118-75-2","O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl","O=C1C(=C(C(C(=C1Cl)Cl)=O)Cl)Cl",null,"O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl","O=C1C(=C(C(C(=C1Cl)Cl)=O)Cl)Cl",null,"O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl","O=C1C(=C(C(C(=C1Cl)Cl)=O)Cl)Cl",null,"O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl","O=C1C(=C(C(C(=C1Cl)Cl)=O)Cl)Cl"]
[1325,"118-79-6","Oc1c(Br)cc(Br)cc1Br","Oc1c(cc(cc1Br)Br)Br",null,"Oc1c(Br)cc(Br)cc1Br","Oc1c(cc(cc1Br)Br)Br",null,"Oc1c(Br)cc(Br)cc1Br","Oc1c(cc(cc1Br)Br)Br",null,"Oc1c(Br)cc(Br)cc1Br","Oc1c(cc(cc1Br)Br)Br"]
[1326,"118-83-2","O=[N+]([O-])c1ccc(Cl)cc1C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)Cl)C(F)(F)F",null,"O=[N+]([O-])c1ccc(Cl)cc1C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)Cl)C(F)(F)F",null,"O=[N+]([O-])c1ccc(Cl)cc1C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)Cl)C(F)(F)F",null,"O=[N+]([O-])c1ccc(Cl)cc1C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)Cl)C(F)(F)F"]
[1327,"118-90-1","Cc1ccccc1C(=O)O","Cc1c(cccc1)C(=O)O",null,"Cc1ccccc1C(=O)O","Cc1c(cccc1)C(=O)O",null,"Cc1ccccc1C(=O)O","Cc1c(cccc1)C(=O)O",null,"Cc1ccccc1C(=O)O","Cc1c(cccc1)C(=O)O"]
[1328,"118-91-2","O=C(O)c1ccccc1Cl","O=C(O)c1c(cccc1)Cl",null,"O=C(O)c1ccccc1Cl","O=C(O)c1c(cccc1)Cl",null,"O=C(O)c1ccccc1Cl","O=C(O)c1c(cccc1)Cl",null,"O=C(O)c1ccccc1Cl","O=C(O)c1c(cccc1)Cl"]
[1329,"118-92-3","Nc1ccccc1C(=O)O","Nc1c(cccc1)C(=O)O",null,"Nc1ccccc1C(=O)O","Nc1c(cccc1)C(=O)O",null,"Nc1ccccc1C(=O)O","Nc1c(cccc1)C(=O)O",null,"Nc1ccccc1C(=O)O","Nc1c(cccc1)C(=O)O"]
[1330,"118-96-7","Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"]
[1331,"119-12-0","CCOP(=S)(OCC)Oc1ccc(=O)n(-c2ccccc2)n1","CCOP(=S)(OCC)Oc1nn(c(cc1)=O)-c2ccccc2",null,"CCOP(=S)(OCC)Oc1ccc(=O)n(-c2ccccc2)n1","CCOP(=S)(OCC)Oc1nn(c(cc1)=O)-c2ccccc2",null,"CCOP(=S)(OCC)Oc1ccc(=O)n(-c2ccccc2)n1","CCOP(=S)(OCC)Oc1nn(c(cc1)=O)-c2ccccc2",null,"CCOP(=S)(OCC)Oc1ccc(=O)n(-c2ccccc2)n1","CCOP(=S)(OCC)Oc1nn(c(cc1)=O)-c2ccccc2"]
[1332,"119-15-3","O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)Nc2ccc(cc2)O)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)Nc2ccc(cc2)O)[N+](=O)[O-]",{"$nulls":4},"O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)Nc2ccc(cc2)O)[N+](=O)[O-]"]
[1333,"119-19-7",{"$nulls":3},"O=S(=O)(O)c1cc(O)c2cc(Nc3ccccc3)ccc2c1","O=S(=O)(O)c1cc2c(c(c1)O)cc(Nc3ccccc3)cc2",{"$nulls":4},"O=S(=O)(O)c1cc(O)c2cc(Nc3ccccc3)ccc2c1","O=S(=O)(O)c1cc2c(c(c1)O)cc(Nc3ccccc3)cc2"]
[1334,"119-27-7","COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,"COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,"COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,"COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]"]
[1335,"119-33-5","Cc1ccc(O)c([N+](=O)[O-])c1","Cc1cc(c(cc1)O)[N+](=O)[O-]",null,"Cc1ccc(O)c([N+](=O)[O-])c1","Cc1cc(c(cc1)O)[N+](=O)[O-]",null,"Cc1ccc(O)c([N+](=O)[O-])c1","Cc1cc(c(cc1)O)[N+](=O)[O-]",null,"Cc1ccc(O)c([N+](=O)[O-])c1","Cc1cc(c(cc1)O)[N+](=O)[O-]"]
[1336,"119-36-8","COC(=O)c1ccccc1O","COC(=O)c1c(cccc1)O",null,"COC(=O)c1ccccc1O","COC(=O)c1c(cccc1)O",null,"COC(=O)c1ccccc1O","COC(=O)c1c(cccc1)O",null,"COC(=O)c1ccccc1O","COC(=O)c1c(cccc1)O"]
[1337,"119-38-0","Cc1cc(OC(=O)N(C)C)n(C(C)C)n1","Cc1nn(c(c1)OC(=O)N(C)C)C(C)C",null,"Cc1cc(OC(=O)N(C)C)n(C(C)C)n1","Cc1nn(c(c1)OC(=O)N(C)C)C(C)C",null,"Cc1cc(OC(=O)N(C)C)n(C(C)C)n1","Cc1nn(c(c1)OC(=O)N(C)C)C(C)C",null,"Cc1cc(OC(=O)N(C)C)n(C(C)C)n1","Cc1nn(c(c1)OC(=O)N(C)C)C(C)C"]
[1338,"119-47-1",{"$nulls":3},"Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1","Cc1cc(c(c(c1)Cc2c(c(cc(c2)C)C(C)(C)C)O)O)C(C)(C)C","BIS(1)","Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1","Cc1cc(c(c(c1)Cc2c(c(cc(c2)C)C(C)(C)C)O)O)C(C)(C)C","BIS(1)","Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1","Cc1cc(c(c(c1)Cc2c(c(cc(c2)C)C(C)(C)C)O)O)C(C)(C)C","BIS(1)"]
[1339,"119-48-2","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2",null,"CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2",null,"CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2",null,"CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2"]
[1340,"119-53-9","O=C(c1ccccc1)C(O)c1ccccc1","O=C(c1ccccc1)C(O)c2ccccc2",null,"O=C(c1ccccc1)C(O)c1ccccc1","O=C(c1ccccc1)C(O)c2ccccc2",null,"O=C(c1ccccc1)C(O)c1ccccc1","O=C(c1ccccc1)C(O)c2ccccc2",null,"O=C(c1ccccc1)C(O)c1ccccc1","O=C(c1ccccc1)C(O)c2ccccc2"]
[1341,"119-56-2","OC(c1ccccc1)c1ccc(Cl)cc1","OC(c1ccccc1)c2ccc(cc2)Cl",null,"OC(c1ccccc1)c1ccc(Cl)cc1","OC(c1ccccc1)c2ccc(cc2)Cl",null,"OC(c1ccccc1)c1ccc(Cl)cc1","OC(c1ccccc1)c2ccc(cc2)Cl",null,"OC(c1ccccc1)c1ccc(Cl)cc1","OC(c1ccccc1)c2ccc(cc2)Cl"]
[1342,"119-61-9","O=C(c1ccccc1)c1ccccc1","O=C(c1ccccc1)c2ccccc2",null,"O=C(c1ccccc1)c1ccccc1","O=C(c1ccccc1)c2ccccc2",null,"O=C(c1ccccc1)c1ccccc1","O=C(c1ccccc1)c2ccccc2",null,"O=C(c1ccccc1)c1ccccc1","O=C(c1ccccc1)c2ccccc2"]
[1343,"119-64-2","c1ccc2c(c1)CCCC2","c1cc2c(cc1)CCCC2",null,"c1ccc2c(c1)CCCC2","c1cc2c(cc1)CCCC2",null,"c1ccc2c(c1)CCCC2","c1cc2c(cc1)CCCC2",null,"c1ccc2c(c1)CCCC2","c1cc2c(cc1)CCCC2"]
[1344,"119-65-3","c1ccc2cnccc2c1","c1cc2c(cc1)cncc2",null,"c1ccc2cnccc2c1","c1cc2c(cc1)cncc2",null,"c1ccc2cnccc2c1","c1cc2c(cc1)cncc2",null,"c1ccc2cnccc2c1","c1cc2c(cc1)cncc2"]
[1345,"119-68-6","CNc1ccccc1C(=O)O","CNc1c(cccc1)C(=O)O",null,"CNc1ccccc1C(=O)O","CNc1c(cccc1)C(=O)O",null,"CNc1ccccc1C(=O)O","CNc1c(cccc1)C(=O)O",null,"CNc1ccccc1C(=O)O","CNc1c(cccc1)C(=O)O"]
[1346,"119-84-6","O=C1CCc2ccccc2O1","O=C1Oc2c(CC1)cccc2",null,"O=C1CCc2ccccc2O1","O=C1Oc2c(CC1)cccc2",null,"O=C1CCc2ccccc2O1","O=C1Oc2c(CC1)cccc2",null,"O=C1CCc2ccccc2O1","O=C1Oc2c(CC1)cccc2"]
[1347,"119-90-4","COc1cc(-c2ccc(N)c(OC)c2)ccc1N","COc1c(ccc(c1)-c2cc(c(cc2)N)OC)N",null,"COc1cc(-c2ccc(N)c(OC)c2)ccc1N","COc1c(ccc(c1)-c2cc(c(cc2)N)OC)N",null,"COc1cc(-c2ccc(N)c(OC)c2)ccc1N","COc1c(ccc(c1)-c2cc(c(cc2)N)OC)N",null,"COc1cc(-c2ccc(N)c(OC)c2)ccc1N","COc1c(ccc(c1)-c2cc(c(cc2)N)OC)N"]
[1348,"119-91-5","c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1","c1cc2c(cc1)nc(-c3nc4c(cc3)cccc4)cc2",null,"c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1","c1cc2c(cc1)nc(-c3nc4c(cc3)cccc4)cc2",null,"c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1","c1cc2c(cc1)nc(-c3nc4c(cc3)cccc4)cc2",null,"c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1","c1cc2c(cc1)nc(-c3nc4c(cc3)cccc4)cc2"]
[1349,"119-93-7","Nc1ccc(OCCOc2ccc(N)cc2)cc1","Nc1ccc(cc1)OCCOc2ccc(cc2)N",null,"Cc1cc(-c2ccc(N)c(C)c2)ccc1N","Cc1c(ccc(c1)-c2cc(c(cc2)N)C)N",null,"Cc1cc(-c2ccc(N)c(C)c2)ccc1N","Cc1c(ccc(c1)-c2cc(c(cc2)N)C)N",null,"Cc1cc(-c2ccc(N)c(C)c2)ccc1N","Cc1c(ccc(c1)-c2cc(c(cc2)N)C)N"]
[1350,"120-07-0","OCCN(CCO)c1ccccc1","OCCN(CCO)c1ccccc1",null,"OCCN(CCO)c1ccccc1","OCCN(CCO)c1ccccc1",null,"OCCN(CCO)c1ccccc1","OCCN(CCO)c1ccccc1",null,"OCCN(CCO)c1ccccc1","OCCN(CCO)c1ccccc1"]
[1351,"120-12-7","c1ccc2cc3ccccc3cc2c1","c1cc2c(cc1)cc3c(cccc3)c2",null,"c1ccc2cc3ccccc3cc2c1","c1cc2c(cc1)cc3c(cccc3)c2",{"$nulls":4},"c1ccc2cc3ccccc3cc2c1","c1cc2c(cc1)cc3c(cccc3)c2"]
[1352,"120-14-9","COc1ccc(C=O)cc1OC","COc1c(cc(cc1)C=O)OC",null,"COc1ccc(C=O)cc1OC","COc1c(cc(cc1)C=O)OC",null,"COc1ccc(C=O)cc1OC","COc1c(cc(cc1)C=O)OC",null,"COc1ccc(C=O)cc1OC","COc1c(cc(cc1)C=O)OC"]
[1353,"120-18-3","O=S(=O)(O)c1ccc2ccccc2c1","O=S(=O)(O)c1cc2c(cc1)cccc2",null,"O=S(=O)(O)c1ccc2ccccc2c1","O=S(=O)(O)c1cc2c(cc1)cccc2",null,"O=S(=O)(O)c1ccc2ccccc2c1","O=S(=O)(O)c1cc2c(cc1)cccc2",null,"O=S(=O)(O)c1ccc2ccccc2c1","O=S(=O)(O)c1cc2c(cc1)cccc2"]
[1354,"120-25-2","CCOc1ccc(C=O)cc1OC","CCOc1c(cc(cc1)C=O)OC",null,"CCOc1ccc(C=O)cc1OC","CCOc1c(cc(cc1)C=O)OC",null,"CCOc1ccc(C=O)cc1OC","CCOc1c(cc(cc1)C=O)OC",null,"CCOc1ccc(C=O)cc1OC","CCOc1c(cc(cc1)C=O)OC"]
[1355,"120-32-1","Oc1ccc(Cl)cc1Cc1ccccc1","Oc1c(cc(cc1)Cl)Cc2ccccc2",null,"Oc1ccc(Cl)cc1Cc1ccccc1","Oc1c(cc(cc1)Cl)Cc2ccccc2",null,"Oc1ccc(Cl)cc1Cc1ccccc1","Oc1c(cc(cc1)Cl)Cc2ccccc2",null,"Oc1ccc(Cl)cc1Cc1ccccc1","Oc1c(cc(cc1)Cl)Cc2ccccc2"]
[1356,"120-36-5","CC(Oc1ccc(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O",null,"CC(Oc1ccc(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O",null,"CC(Oc1ccc(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O",null,"CC(Oc1ccc(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O"]
[1357,"120-47-8",{"$nulls":3},"CCOC(=O)c1ccc(O)cc1","CCOC(=O)c1ccc(cc1)O",null,"CCOC(=O)c1ccc(O)cc1","CCOC(=O)c1ccc(cc1)O",null,"CCOC(=O)c1ccc(O)cc1","CCOC(=O)c1ccc(cc1)O"]
[1358,"120-57-0","O=Cc1ccc2c(c1)OCO2","O=Cc1cc2c(cc1)OCO2",null,"O=Cc1ccc2c(c1)OCO2","O=Cc1cc2c(cc1)OCO2",null,"O=Cc1ccc2c(c1)OCO2","O=Cc1cc2c(cc1)OCO2",null,"O=Cc1ccc2c(c1)OCO2","O=Cc1cc2c(cc1)OCO2"]
[1359,"120-61-6","COC(=O)c1ccc(C(=O)OC)cc1","COC(=O)c1ccc(cc1)C(=O)OC",null,"COC(=O)c1ccc(C(=O)OC)cc1","COC(=O)c1ccc(cc1)C(=O)OC",null,"COC(=O)c1ccc(C(=O)OC)cc1","COC(=O)c1ccc(cc1)C(=O)OC",null,"COC(=O)c1ccc(C(=O)OC)cc1","COC(=O)c1ccc(cc1)C(=O)OC"]
[1360,"120-72-9","c1ccc2[nH]ccc2c1","c1cc2c(cc1)[nH]cc2",null,"c1ccc2[nH]ccc2c1","c1cc2c(cc1)[nH]cc2",null,"c1ccc2[nH]ccc2c1","c1cc2c(cc1)[nH]cc2",null,"c1ccc2[nH]ccc2c1","c1cc2c(cc1)[nH]cc2"]
[1361,"120-73-0","c1nc2c[nH]cnc-2n1","c1nc2-c(n1)c[nH]cn2",null,"c1ncc2[nH]cnc2n1","c1nc2c(cn1)[nH]cn2",null,"c1ncc2nc[nH]c2n1","c1nc2c(cn1)nc[nH]2",null,"c1ncc2nc[nH]c2n1","c1nc2c(cn1)nc[nH]2"]
[1362,"120-78-5","c1ccc2sc(SSc3nc4ccccc4s3)nc2c1","c1cc2c(cc1)sc(SSc3sc4c(n3)cccc4)n2",null,"c1ccc2sc(SSc3nc4ccccc4s3)nc2c1","c1cc2c(cc1)sc(SSc3sc4c(n3)cccc4)n2",null,"c1ccc2sc(SSc3nc4ccccc4s3)nc2c1","c1cc2c(cc1)sc(SSc3sc4c(n3)cccc4)n2",null,"c1ccc2sc(SSc3nc4ccccc4s3)nc2c1","c1cc2c(cc1)sc(SSc3sc4c(n3)cccc4)n2"]
[1363,"120-80-9","Oc1ccccc1O","Oc1c(cccc1)O",null,"Oc1ccccc1O","Oc1c(cccc1)O",null,"Oc1ccccc1O","Oc1c(cccc1)O",null,"Oc1ccccc1O","Oc1c(cccc1)O"]
[1364,"120-82-1","Clc1ccc(Cl)c(Cl)c1","Clc1cc(c(cc1)Cl)Cl",null,"Clc1ccc(Cl)c(Cl)c1","Clc1cc(c(cc1)Cl)Cl",null,"Clc1ccc(Cl)c(Cl)c1","Clc1cc(c(cc1)Cl)Cl",null,"Clc1ccc(Cl)c(Cl)c1","Clc1cc(c(cc1)Cl)Cl"]
[1365,"120-83-2","Oc1ccc(Cl)cc1Cl","Oc1c(cc(cc1)Cl)Cl",null,"Oc1ccc(Cl)cc1Cl","Oc1c(cc(cc1)Cl)Cl",null,"Oc1ccc(Cl)cc1Cl","Oc1c(cc(cc1)Cl)Cl",null,"Oc1ccc(Cl)cc1Cl","Oc1c(cc(cc1)Cl)Cl"]
[1366,"120-89-8","O=C1NC(=O)C(=O)N1","O=C1NC(C(N1)=O)=O",null,"O=C1NC(=O)C(=O)N1","O=C1NC(C(N1)=O)=O",null,"O=C1NC(=O)C(=O)N1","O=C1NC(C(N1)=O)=O",null,"O=C1NC(=O)C(=O)N1","O=C1NC(C(N1)=O)=O"]
[1367,"121-03-9","Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)O",null,"Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)O",null,"Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)O",null,"Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)O"]
[1368,"121-14-2","Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,"Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,"Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,"Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]"]
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[1398,"122-97-4","OCCCc1ccccc1","OCCCc1ccccc1",null,"OCCCc1ccccc1","OCCCc1ccccc1",null,"OCCCc1ccccc1","OCCCc1ccccc1",null,"OCCCc1ccccc1","OCCCc1ccccc1"]
[1399,"122-98-5","OCCNc1ccccc1","OCCNc1ccccc1",null,"OCCNc1ccccc1","OCCNc1ccccc1",null,"OCCNc1ccccc1","OCCNc1ccccc1",null,"OCCNc1ccccc1","OCCNc1ccccc1"]
[1400,"122-99-6","OCCOc1ccccc1","OCCOc1ccccc1",null,"OCCOc1ccccc1","OCCOc1ccccc1",null,"OCCOc1ccccc1","OCCOc1ccccc1",null,"OCCOc1ccccc1","OCCOc1ccccc1"]
[1401,"123-04-6","CCCCC(CC)CCl","CCCCC(CC)CCl",null,"CCCCC(CC)CCl","CCCCC(CC)CCl",null,"CCCCC(CC)CCl","CCCCC(CC)CCl",null,"CCCCC(CC)CCl","CCCCC(CC)CCl"]
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[1404,"123-08-0","O=Cc1ccc(O)cc1","O=Cc1ccc(cc1)O",null,"O=Cc1ccc(O)cc1","O=Cc1ccc(cc1)O",null,"O=Cc1ccc(O)cc1","O=Cc1ccc(cc1)O",null,"O=Cc1ccc(O)cc1","O=Cc1ccc(cc1)O"]
[1405,"123-11-5","COc1ccc(C=O)cc1","COc1ccc(cc1)C=O",null,"COc1ccc(C=O)cc1","COc1ccc(cc1)C=O",null,"COc1ccc(C=O)cc1","COc1ccc(cc1)C=O",null,"COc1ccc(C=O)cc1","COc1ccc(cc1)C=O"]
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[1407,"123-19-3","CCCC(=O)CCC","CCCC(=O)CCC",null,"CCCC(=O)CCC","CCCC(=O)CCC",null,"CCCC(=O)CCC","CCCC(=O)CCC",null,"CCCC(=O)CCC","CCCC(=O)CCC"]
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[1410,"123-29-5","CCCCCCCCC(=O)OCC","CCCCCCCCC(=O)OCC",null,"CCCCCCCCC(=O)OCC","CCCCCCCCC(=O)OCC",null,"CCCCCCCCC(=O)OCC","CCCCCCCCC(=O)OCC",null,"CCCCCCCCC(=O)OCC","CCCCCCCCC(=O)OCC"]
[1411,"123-30-8","Nc1ccc(O)cc1","Nc1ccc(cc1)O",null,"Nc1ccc(O)cc1","Nc1ccc(cc1)O",null,"Nc1ccc(O)cc1","Nc1ccc(cc1)O",null,"Nc1ccc(O)cc1","Nc1ccc(cc1)O"]
[1412,"123-31-9","Oc1ccc(O)cc1","Oc1ccc(cc1)O",null,"Oc1ccc(O)cc1","Oc1ccc(cc1)O",null,"Oc1ccc(O)cc1","Oc1ccc(cc1)O",null,"Oc1ccc(O)cc1","Oc1ccc(cc1)O"]
[1413,"123-33-1","NNC(=O)C=CC(=O)O","NNC(=O)C=CC(=O)O",null,"O=c1ccc(=O)[nH][nH]1","O=c1[nH][nH]c(cc1)=O",null,"O=c1ccc(=O)[nH][nH]1","O=c1[nH][nH]c(cc1)=O",null,"O=c1ccc(=O)[nH][nH]1","O=c1[nH][nH]c(cc1)=O"]
[1414,"123-35-3",{"$nulls":3},"C=CC(=C)CCC=C(C)C","C=CC(=C)CCC=C(C)C",null,"C=CC(=C)CCC=C(C)C","C=CC(=C)CCC=C(C)C",null,"C=CC(=C)CCC=C(C)C","C=CC(=C)CCC=C(C)C"]
[1415,"123-38-6","CCC=O","CCC=O",null,"CCC=O","CCC=O",null,"CCC=O","CCC=O",null,"CCC=O","CCC=O"]
[1416,"123-39-7","CNC=O","CNC=O",null,"CNC=O","CNC=O",null,"CNC=O","CNC=O",null,"CNC=O","CNC=O"]
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[1418,"123-51-3","CC(C)CCO","CC(C)CCO",null,"CC(C)CCO","CC(C)CCO",null,"CC(C)CCO","CC(C)CCO",null,"CC(C)CCO","CC(C)CCO"]
[1419,"123-54-6","CC(=O)CC(C)=O","CC(=O)CC(C)=O",null,"CC(=O)CC(C)=O","CC(=O)CC(C)=O",null,"CC(=O)CC(C)=O","CC(=O)CC(C)=O",null,"CC(=O)CC(C)=O","CC(=O)CC(C)=O"]
[1420,"123-56-8","O=C1CCC(=O)N1","O=C1NC(CC1)=O",null,"O=C1CCC(=O)N1","O=C1NC(CC1)=O",null,"O=C1CCC(=O)N1","O=C1NC(CC1)=O",null,"O=C1CCC(=O)N1","O=C1NC(CC1)=O"]
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[1423,"123-72-8","CCCC=O","CCCC=O",null,"CCCC=O","CCCC=O",null,"CCCC=O","CCCC=O",null,"CCCC=O","CCCC=O"]
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[1435,"124-02-7","C=CCNCC=C","C=CCNCC=C",null,"C=CCNCC=C","C=CCNCC=C",null,"C=CCNCC=C","C=CCNCC=C",null,"C=CCNCC=C","C=CCNCC=C"]
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[1438,"124-09-4","NCCCCCCN","NCCCCCCN",null,"NCCCCCCN","NCCCCCCN",null,"NCCCCCCN","NCCCCCCN",null,"NCCCCCCN","NCCCCCCN"]
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[1480,"127-76-4",{"$nulls":3},"CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2sccn2",{"$nulls":4},"CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2sccn2"]
[1481,"127-79-7","Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",null,"Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",null,"Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",null,"Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N"]
[1482,"128-00-7","[Ag+]","[Ag+]","CC(O)C([O-])=O(1)","[Ag+]","[Ag+]","CC([O-])C(O)=O(1)","[Ag+]","[Ag+]","CC(O)C([O-])=O(1)","[Ag+]","[Ag+]","CC(O)C([O-])=O(1)",null,"Organic counterion"]
[1483,"128-08-5","O=C1CCC(=O)N1Br","O=C1N(C(CC1)=O)Br",null,"O=C1CCC(=O)N1Br","O=C1N(C(CC1)=O)Br",null,"O=C1CCC(=O)N1Br","O=C1N(C(CC1)=O)Br",null,"O=C1CCC(=O)N1Br","O=C1N(C(CC1)=O)Br"]
[1484,"128-09-6","O=C1CCC(=O)N1Cl","O=C1N(C(CC1)=O)Cl",null,"O=C1CCC(=O)N1Cl","O=C1N(C(CC1)=O)Cl",null,"O=C1CCC(=O)N1Cl","O=C1N(C(CC1)=O)Cl",null,"O=C1CCC(=O)N1Cl","O=C1N(C(CC1)=O)Cl"]
[1485,"128-13-2","CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",null,"CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",null,"CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",null,"CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C"]
[1486,"128-37-0",{"$nulls":3},"Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1","Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C",null,"Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1","Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C",null,"Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1","Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C"]
[1487,"128-39-2","CC(C)(C)c1cccc(C(C)(C)C)c1O","CC(C)(C)c1c(c(ccc1)C(C)(C)C)O",null,"CC(C)(C)c1cccc(C(C)(C)C)c1O","CC(C)(C)c1c(c(ccc1)C(C)(C)C)O",null,"CC(C)(C)c1cccc(C(C)(C)C)c1O","CC(C)(C)c1c(c(ccc1)C(C)(C)C)O",null,"CC(C)(C)c1cccc(C(C)(C)C)c1O","CC(C)(C)c1c(c(ccc1)C(C)(C)C)O"]
[1488,"128-62-1","COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC",null,"COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC",null,"COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC",null,"COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC"]
[1489,"129-00-0","c1cc2ccc3cccc4ccc(c1)c2c34","c1cc2ccc3cccc4ccc(c1)c2c43",null,"c1cc2ccc3cccc4ccc(c1)c2c34","c1cc2ccc3cccc4ccc(c1)c2c43",null,"c1cc2ccc3cccc4ccc(c1)c2c34","c1cc2ccc3cccc4ccc(c1)c2c43",null,"c1cc2ccc3cccc4ccc(c1)c2c34","c1cc2ccc3cccc4ccc(c1)c2c43"]
[1490,"129-20-4","CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccc(cc3)O)=O",null,"CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccc(cc3)O)=O",null,"CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccc(cc3)O)=O",null,"CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccc(cc3)O)=O"]
[1491,"129-43-1","O=C1c2ccccc2C(=O)c2c(O)cccc21","O=C1c2c(C(c3c1cccc3)=O)c(O)ccc2",null,"O=C1c2ccccc2C(=O)c2c(O)cccc21","O=C1c2c(C(c3c1cccc3)=O)c(O)ccc2",null,"O=C1c2ccccc2C(=O)c2c(O)cccc21","O=C1c2c(C(c3c1cccc3)=O)c(O)ccc2",null,"O=C1c2ccccc2C(=O)c2c(O)cccc21","O=C1c2c(C(c3c1cccc3)=O)c(O)ccc2"]
[1492,"129-66-8","O=C(O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"O=C(O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"]
[1493,"129-81-7","Cc1c(I)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1I)=O)-c2ccccc2)C",null,"Cc1c(I)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1I)=O)-c2ccccc2)C",null,"Cc1c(I)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1I)=O)-c2ccccc2)C",null,"Cc1c(I)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1I)=O)-c2ccccc2)C"]
[1494,"130-16-5",{"$nulls":3},"Oc1ccc(Cl)c2cccnc12","Oc1c2c(c(cc1)Cl)cccn2",{"$nulls":4},"Oc1ccc(Cl)c2cccnc12","Oc1c2c(c(cc1)Cl)cccn2"]
[1495,"130-95-0","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",{"$nulls":4},"C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",null,"C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4"]
[1496,"131-11-3","COC(=O)c1ccccc1C(=O)OC","COC(=O)c1c(cccc1)C(=O)OC",null,"COC(=O)c1ccccc1C(=O)OC","COC(=O)c1c(cccc1)C(=O)OC",null,"COC(=O)c1ccccc1C(=O)OC","COC(=O)c1c(cccc1)C(=O)OC",null,"COC(=O)c1ccccc1C(=O)OC","COC(=O)c1c(cccc1)C(=O)OC"]
[1497,"131-16-8","CCCOC(=O)c1ccccc1C(=O)OCCC","CCCOC(=O)c1c(cccc1)C(=O)OCCC",null,"CCCOC(=O)c1ccccc1C(=O)OCCC","CCCOC(=O)c1c(cccc1)C(=O)OCCC",null,"CCCOC(=O)c1ccccc1C(=O)OCCC","CCCOC(=O)c1c(cccc1)C(=O)OCCC",null,"CCCOC(=O)c1ccccc1C(=O)OCCC","CCCOC(=O)c1c(cccc1)C(=O)OCCC"]
[1498,"131-17-9","C=CCOC(=O)c1ccccc1C(=O)OCC=C","C=CCOC(=O)c1c(cccc1)C(=O)OCC=C",null,"C=CCOC(=O)c1ccccc1C(=O)OCC=C","C=CCOC(=O)c1c(cccc1)C(=O)OCC=C",{"$nulls":4},"C=CCOC(=O)c1ccccc1C(=O)OCC=C","C=CCOC(=O)c1c(cccc1)C(=O)OCC=C"]
[1499,"131-28-2","COc1ccc(C(=O)Cc2c(CCN(C)C)cc3c(c2OC)OCO3)c(C(=O)O)c1OC","COc1c(c(c(cc1)C(=O)Cc2c(c3c(cc2CCN(C)C)OCO3)OC)C(=O)O)OC",null,"COc1ccc(C(=O)Cc2c(CCN(C)C)cc3c(c2OC)OCO3)c(C(=O)O)c1OC","COc1c(c(c(cc1)C(=O)Cc2c(c3c(cc2CCN(C)C)OCO3)OC)C(=O)O)OC",null,"COc1ccc(C(=O)Cc2c(CCN(C)C)cc3c(c2OC)OCO3)c(C(=O)O)c1OC","COc1c(c(c(cc1)C(=O)Cc2c(c3c(cc2CCN(C)C)OCO3)OC)C(=O)O)OC",null,"COc1ccc(C(=O)Cc2c(CCN(C)C)cc3c(c2OC)OCO3)c(C(=O)O)c1OC","COc1c(c(c(cc1)C(=O)Cc2c(c3c(cc2CCN(C)C)OCO3)OC)C(=O)O)OC"]
[1500,"131-89-5","O=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)C2CCCCC2)O)[N+](=O)[O-]",null,"O=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)C2CCCCC2)O)[N+](=O)[O-]",null,"O=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)C2CCCCC2)O)[N+](=O)[O-]",null,"O=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)C2CCCCC2)O)[N+](=O)[O-]"]
[1501,"131-91-9","O=Nc1c(O)ccc2ccccc12","O=Nc1c2c(ccc1O)cccc2",null,"O=Nc1c(O)ccc2ccccc12","O=Nc1c2c(ccc1O)cccc2",null,"O=Nc1c(O)ccc2ccccc12","O=Nc1c2c(ccc1O)cccc2",null,"O=Nc1c(O)ccc2ccccc12","O=Nc1c2c(ccc1O)cccc2"]
[1502,"132-22-9","CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1","CN(C)CCC(c1ccc(cc1)Cl)c2ncccc2","OC(=O)C=CC(O)=O(1)","CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1","CN(C)CCC(c1ccc(cc1)Cl)c2ncccc2",null,"CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1","CN(C)CCC(c1ccc(cc1)Cl)c2ncccc2",null,"CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1","CN(C)CCC(c1ccc(cc1)Cl)c2ncccc2"]
[1503,"132-53-6","O=Nc1ccc2ccccc2c1O","O=Nc1c(c2c(cc1)cccc2)O",null,"O=Nc1ccc2ccccc2c1O","O=Nc1c(c2c(cc1)cccc2)O",null,"O=Nc1ccc2ccccc2c1O","O=Nc1c(c2c(cc1)cccc2)O",null,"O=Nc1ccc2ccccc2c1O","O=Nc1c(c2c(cc1)cccc2)O"]
[1504,"132-60-5","O=C(O)c1cc(-c2ccccc2)nc2ccccc12","O=C(O)c1c2c(nc(c1)-c3ccccc3)cccc2",null,"O=C(O)c1cc(-c2ccccc2)nc2ccccc12","O=C(O)c1c2c(nc(c1)-c3ccccc3)cccc2",{"$nulls":4},"O=C(O)c1cc(-c2ccccc2)nc2ccccc12","O=C(O)c1c2c(nc(c1)-c3ccccc3)cccc2"]
[1505,"132-64-9","c1ccc2c(c1)oc1ccccc12","c1cc2c(cc1)c3c(o2)cccc3",null,"c1ccc2c(c1)oc1ccccc12","c1cc2c(cc1)c3c(o2)cccc3",null,"c1ccc2c(c1)oc1ccccc12","c1cc2c(cc1)c3c(o2)cccc3",null,"c1ccc2c(c1)oc1ccccc12","c1cc2c(cc1)c3c(o2)cccc3"]
[1506,"132-65-0","c1ccc2c(c1)sc1ccccc12","c1cc2c(cc1)c3c(s2)cccc3",null,"c1ccc2c(c1)sc1ccccc12","c1cc2c(cc1)c3c(s2)cccc3",null,"c1ccc2c(c1)sc1ccccc12","c1cc2c(cc1)c3c(s2)cccc3",null,"c1ccc2c(c1)sc1ccccc12","c1cc2c(cc1)c3c(s2)cccc3"]
[1507,"132-66-1",{"$nulls":3},"O=C(O)c1ccccc1C(=O)Nc1cccc2ccccc12","O=C(O)c1c(cccc1)C(=O)Nc2c3c(ccc2)cccc3",{"$nulls":4},"O=C(O)c1ccccc1C(=O)Nc1cccc2ccccc12","O=C(O)c1c(cccc1)C(=O)Nc2c3c(ccc2)cccc3"]
[1508,"132-86-5","Oc1cc(O)c2ccccc2c1","Oc1cc2c(c(c1)O)cccc2",null,"Oc1cc(O)c2ccccc2c1","Oc1cc2c(c(c1)O)cccc2",null,"Oc1cc(O)c2ccccc2c1","Oc1cc2c(c(c1)O)cccc2",null,"Oc1cc(O)c2ccccc2c1","Oc1cc2c(c(c1)O)cccc2"]
[1509,"133-06-2","O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)Cl",null,"O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)Cl",null,"O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)Cl",null,"O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)Cl"]
[1510,"133-07-3","O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl","O=C1N(C(c2c1cccc2)=O)SC(Cl)(Cl)Cl",null,"O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl","O=C1N(C(c2c1cccc2)=O)SC(Cl)(Cl)Cl",null,"O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl","O=C1N(C(c2c1cccc2)=O)SC(Cl)(Cl)Cl",null,"O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl","O=C1N(C(c2c1cccc2)=O)SC(Cl)(Cl)Cl"]
[1511,"133-11-9","Nc1ccc(C(=O)Oc2ccccc2)c(O)c1","Nc1cc(c(cc1)C(=O)Oc2ccccc2)O",null,"Nc1ccc(C(=O)Oc2ccccc2)c(O)c1","Nc1cc(c(cc1)C(=O)Oc2ccccc2)O",{"$nulls":4},"Nc1ccc(C(=O)Oc2ccccc2)c(O)c1","Nc1cc(c(cc1)C(=O)Oc2ccccc2)O"]
[1512,"133-32-4","O=C(O)CCCc1c[nH]c2ccccc12","O=C(O)CCCc1c2c([nH]c1)cccc2",null,"O=C(O)CCCc1c[nH]c2ccccc12","O=C(O)CCCc1c2c([nH]c1)cccc2",null,"O=C(O)CCCc1c[nH]c2ccccc12","O=C(O)CCCc1c2c([nH]c1)cccc2",null,"O=C(O)CCCc1c[nH]c2ccccc12","O=C(O)CCCc1c2c([nH]c1)cccc2"]
[1513,"133-37-9","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",null,"O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",null,"O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",null,"O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O"]
[1514,"133-38-0","O=C(O)C(O)=C(O)C(=O)O","O=C(O)C(O)=C(O)C(=O)O",null,"O=C(O)C(=O)C(O)=C(O)O","O=C(O)C(=O)C(O)=C(O)O"]
[1515,"133-53-9","Cc1cc(O)c(Cl)c(C)c1Cl","Cc1c(c(c(c(c1)O)Cl)C)Cl",null,"Cc1cc(O)c(Cl)c(C)c1Cl","Cc1c(c(c(c(c1)O)Cl)C)Cl",null,"Cc1cc(O)c(Cl)c(C)c1Cl","Cc1c(c(c(c(c1)O)Cl)C)Cl",null,"Cc1cc(O)c(Cl)c(C)c1Cl","Cc1c(c(c(c(c1)O)Cl)C)Cl"]
[1516,"133-67-5","NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)C(Cl)Cl)(=O)=O)Cl",null,"NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)C(Cl)Cl)(=O)=O)Cl",null,"NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)C(Cl)Cl)(=O)=O)Cl",null,"NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)C(Cl)Cl)(=O)=O)Cl"]
[1517,"133-90-4","Nc1cc(Cl)cc(C(=O)O)c1Cl","Nc1c(c(cc(c1)Cl)C(=O)O)Cl",null,"Nc1cc(Cl)cc(C(=O)O)c1Cl","Nc1c(c(cc(c1)Cl)C(=O)O)Cl",null,"Nc1cc(Cl)cc(C(=O)O)c1Cl","Nc1c(c(cc(c1)Cl)C(=O)O)Cl",null,"Nc1cc(Cl)cc(C(=O)O)c1Cl","Nc1c(c(cc(c1)Cl)C(=O)O)Cl"]
[1518,"133-91-5","O=C(O)c1cc(I)cc(I)c1O","O=C(O)c1c(c(cc(c1)I)I)O",null,"O=C(O)c1cc(I)cc(I)c1O","O=C(O)c1c(c(cc(c1)I)I)O",null,"O=C(O)c1cc(I)cc(I)c1O","O=C(O)c1c(c(cc(c1)I)I)O",null,"O=C(O)c1cc(I)cc(I)c1O","O=C(O)c1c(c(cc(c1)I)I)O"]
[1519,"134-20-3","COC(=O)c1ccccc1N","COC(=O)c1c(cccc1)N",null,"COC(=O)c1ccccc1N","COC(=O)c1c(cccc1)N",null,"COC(=O)c1ccccc1N","COC(=O)c1c(cccc1)N",null,"COC(=O)c1ccccc1N","COC(=O)c1c(cccc1)N"]
[1520,"134-32-7","Nc1cccc2ccccc12","Nc1c2c(ccc1)cccc2",null,"Nc1cccc2ccccc12","Nc1c2c(ccc1)cccc2",null,"Nc1cccc2ccccc12","Nc1c2c(ccc1)cccc2",null,"Nc1cccc2ccccc12","Nc1c2c(ccc1)cccc2"]
[1521,"134-55-4","CC(=O)Oc1ccccc1C(=O)Oc1ccccc1","CC(=O)Oc1c(cccc1)C(=O)Oc2ccccc2",null,"CC(=O)Oc1ccccc1C(=O)Oc1ccccc1","CC(=O)Oc1c(cccc1)C(=O)Oc2ccccc2"]
[1522,"135-01-3","CCc1ccccc1CC","CCc1c(cccc1)CC",null,"CCc1ccccc1CC","CCc1c(cccc1)CC",null,"CCc1ccccc1CC","CCc1c(cccc1)CC",null,"CCc1ccccc1CC","CCc1c(cccc1)CC"]
[1523,"135-09-1","NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)C(F)(F)F",null,"NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)C(F)(F)F",null,"NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)C(F)(F)F",null,"NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)C(F)(F)F"]
[1524,"135-19-3","Oc1ccc2ccccc2c1","Oc1cc2c(cc1)cccc2",null,"Oc1ccc2ccccc2c1","Oc1cc2c(cc1)cccc2",null,"Oc1ccc2ccccc2c1","Oc1cc2c(cc1)cccc2",null,"Oc1ccc2ccccc2c1","Oc1cc2c(cc1)cccc2"]
[1525,"135-68-2","Nc1ccc(-c2ccc(Cl)cc2)cc1","Nc1ccc(cc1)-c2ccc(cc2)Cl",null,"Nc1ccc(-c2ccc(Cl)cc2)cc1","Nc1ccc(cc1)-c2ccc(cc2)Cl",{"$nulls":4},"Nc1ccc(-c2ccc(Cl)cc2)cc1","Nc1ccc(cc1)-c2ccc(cc2)Cl"]
[1526,"135-98-8","CCC(C)c1ccccc1","CCC(C)c1ccccc1",null,"CCC(C)c1ccccc1","CCC(C)c1ccccc1",null,"CCC(C)c1ccccc1","CCC(C)c1ccccc1",null,"CCC(C)c1ccccc1","CCC(C)c1ccccc1"]
[1527,"136-35-6","c1ccc(N=NNc2ccccc2)cc1","c1ccc(cc1)N=NNc2ccccc2",null,"c1ccc(N=NNc2ccccc2)cc1","c1ccc(cc1)N=NNc2ccccc2",null,"c1ccc(N=NNc2ccccc2)cc1","c1ccc(cc1)N=NNc2ccccc2",null,"c1ccc(N=NNc2ccccc2)cc1","c1ccc(cc1)N=NNc2ccccc2"]
[1528,"136-60-7","CCCCOC(=O)c1ccccc1","CCCCOC(=O)c1ccccc1",null,"CCCCOC(=O)c1ccccc1","CCCCOC(=O)c1ccccc1",null,"CCCCOC(=O)c1ccccc1","CCCCOC(=O)c1ccccc1",null,"CCCCOC(=O)c1ccccc1","CCCCOC(=O)c1ccccc1"]
[1529,"136-77-6","CCCCCCc1ccc(O)cc1O","CCCCCCc1c(cc(cc1)O)O",null,"CCCCCCc1ccc(O)cc1O","CCCCCCc1c(cc(cc1)O)O",null,"CCCCCCc1ccc(O)cc1O","CCCCCCc1c(cc(cc1)O)O",null,"CCCCCCc1ccc(O)cc1O","CCCCCCc1c(cc(cc1)O)O"]
[1530,"136-79-8","CCOc1ccc([N+](=O)[O-])cc1N","CCOc1c(cc(cc1)[N+](=O)[O-])N",null,"CCOc1ccc([N+](=O)[O-])cc1N","CCOc1c(cc(cc1)[N+](=O)[O-])N"]
[1531,"137-17-7","Cc1cc(C)c(N)cc1C","Cc1c(cc(c(c1)C)N)C",null,"Cc1cc(C)c(N)cc1C","Cc1c(cc(c(c1)C)N)C",null,"Cc1cc(C)c(N)cc1C","Cc1c(cc(c(c1)C)N)C",null,"Cc1cc(C)c(N)cc1C","Cc1c(cc(c(c1)C)N)C"]
[1532,"137-32-6","CCC(C)CO","CCC(C)CO",null,"CCC(C)CO","CCC(C)CO",null,"CCC(C)CO","CCC(C)CO",null,"CCC(C)CO","CCC(C)CO"]
[1533,"137-40-6","CCC(=O)[O-]","CCC(=O)O","[Na+](1)","CCC(=O)[O-]","CCC(=O)O","[Na+](1)","CCC(=O)[O-]","CCC(=O)O","[Na+](1)","CCC(=O)[O-]","CCC(=O)O","[Na+](1)"]
[1534,"137-42-8",{"$nulls":3},"CNC(=S)[S-]","CNC(=S)S","[Na+](1)",{"$nulls":3},"CNC(=S)[S-]","CNC(=S)S","[Na+](1)"]
[1535,"137-58-6","CCN(CC)CC(=O)Nc1c(C)cccc1C","CCN(CC)CC(=O)Nc1c(cccc1C)C",null,"CCN(CC)CC(=O)Nc1c(C)cccc1C","CCN(CC)CC(=O)Nc1c(cccc1C)C",null,"CCN(CC)CC(=O)Nc1c(C)cccc1C","CCN(CC)CC(=O)Nc1c(cccc1C)C",null,"CCN(CC)CC(=O)Nc1c(C)cccc1C","CCN(CC)CC(=O)Nc1c(cccc1C)C"]
[1536,"138-15-8","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","Cl(1)","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","[Cl-](1), [H+](1)","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","Cl(1)","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","Cl(1)"]
[1537,"138-22-7","CCCCOC(=O)C(C)O","CCCCOC(=O)C(C)O",null,"CCCCOC(=O)C(C)O","CCCCOC(=O)C(C)O",null,"CCCCOC(=O)C(C)O","CCCCOC(=O)C(C)O",null,"CCCCOC(=O)C(C)O","CCCCOC(=O)C(C)O"]
[1538,"138-30-7","NNc1cccc(S(=O)(=O)O)c1","NNc1cc(ccc1)S(=O)(=O)O",null,"NNc1cccc(S(=O)(=O)O)c1","NNc1cc(ccc1)S(=O)(=O)O",null,"NNc1cccc(S(=O)(=O)O)c1","NNc1cc(ccc1)S(=O)(=O)O",null,"NNc1cccc(S(=O)(=O)O)c1","NNc1cc(ccc1)S(=O)(=O)O"]
[1539,"138-39-6","NCc1ccc(S(N)(=O)=O)cc1","NCc1ccc(cc1)S(N)(=O)=O",null,"NCc1ccc(S(N)(=O)=O)cc1","NCc1ccc(cc1)S(N)(=O)=O",null,"NCc1ccc(S(N)(=O)=O)cc1","NCc1ccc(cc1)S(N)(=O)=O",null,"NCc1ccc(S(N)(=O)=O)cc1","NCc1ccc(cc1)S(N)(=O)=O"]
[1540,"138-52-3","OCc1ccccc1OC1OC(CO)C(O)C(O)C1O","OCc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",null,"OCc1ccccc1OC1OC(CO)C(O)C(O)C1O","OCc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",null,"OCc1ccccc1OC1OC(CO)C(O)C(O)C1O","OCc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",null,"OCc1ccccc1OC1OC(CO)C(O)C(O)C1O","OCc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O"]
[1541,"138-59-0","O=C(O)C1=CC(O)C(O)C(O)C1","O=C(O)C=1CC(C(C(C1)O)O)O",null,"O=C(O)C1=CC(O)C(O)C(O)C1","O=C(O)C=1CC(C(C(C1)O)O)O",null,"O=C(O)C1=CC(O)C(O)C(O)C1","O=C(O)C=1CC(C(C(C1)O)O)O",null,"O=C(O)C1=CC(O)C(O)C(O)C1","O=C(O)C=1CC(C(C(C1)O)O)O"]
[1542,"138-86-3","C=C(C)C1CC=C(C)CC1","C=C(C)C1CCC(=CC1)C",null,"C=C(C)C1CC=C(C)CC1","C=C(C)C1CCC(=CC1)C",null,"C=C(C)C1CC=C(C)CC1","C=C(C)C1CCC(=CC1)C",null,"C=C(C)C1CC=C(C)CC1","C=C(C)C1CCC(=CC1)C"]
[1543,"138-87-4","COc1cc(C=CCO)cc(OC)c1OC1OC(CO)C(O)C(O)C1O","COc1c(c(cc(c1)C=CCO)OC)OC2C(C(C(C(O2)CO)O)O)O",null,"C=C(C)C1CCC(C)(O)CC1","C=C(C)C1CCC(CC1)(C)O",null,"C=C(C)C1CCC(C)(O)CC1","C=C(C)C1CCC(CC1)(C)O",null,"C=C(C)C1CCC(C)(O)CC1","C=C(C)C1CCC(CC1)(C)O"]
[1544,"139-13-9","O=C(O)CN(CC(=O)O)CC(=O)O","O=C(O)CN(CC(=O)O)CC(=O)O",null,"O=C(O)CN(CC(=O)O)CC(=O)O","O=C(O)CN(CC(=O)O)CC(=O)O",null,"O=C(O)CN(CC(=O)O)CC(=O)O","O=C(O)CN(CC(=O)O)CC(=O)O",null,"O=C(O)CN(CC(=O)O)CC(=O)O","O=C(O)CN(CC(=O)O)CC(=O)O"]
[1545,"139-40-2","CC(C)Nc1nc(Cl)nc(NC(C)C)n1","CC(C)Nc1nc(nc(n1)Cl)NC(C)C",null,"CC(C)Nc1nc(Cl)nc(NC(C)C)n1","CC(C)Nc1nc(nc(n1)Cl)NC(C)C",null,"CC(C)Nc1nc(Cl)nc(NC(C)C)n1","CC(C)Nc1nc(nc(n1)Cl)NC(C)C",null,"CC(C)Nc1nc(Cl)nc(NC(C)C)n1","CC(C)Nc1nc(nc(n1)Cl)NC(C)C"]
[1546,"139-45-7","CCC(=O)OCC(COC(=O)CC)OC(=O)CC","CCC(=O)OCC(COC(=O)CC)OC(=O)CC",null,"CCC(=O)OCC(COC(=O)CC)OC(=O)CC","CCC(=O)OCC(COC(=O)CC)OC(=O)CC",null,"CCC(=O)OCC(COC(=O)CC)OC(=O)CC","CCC(=O)OCC(COC(=O)CC)OC(=O)CC",null,"CCC(=O)OCC(COC(=O)CC)OC(=O)CC","CCC(=O)OCC(COC(=O)CC)OC(=O)CC"]
[1547,"139-85-5","O=Cc1ccc(O)c(O)c1","O=Cc1cc(c(cc1)O)O",null,"O=Cc1ccc(O)c(O)c1","O=Cc1cc(c(cc1)O)O",null,"O=Cc1ccc(O)c(O)c1","O=Cc1cc(c(cc1)O)O",null,"O=Cc1ccc(O)c(O)c1","O=Cc1cc(c(cc1)O)O"]
[1548,"139-86-6","NC(Cc1cccs1)C(=O)O","NC(Cc1sccc1)C(=O)O",null,"NC(Cc1cccs1)C(=O)O","NC(Cc1sccc1)C(=O)O"]
[1549,"139-87-7","CCN(CCO)CCO","CCN(CCO)CCO",null,"CC[NH+](CCO)CCO","CCN(CCO)CCO",null,"CCN(CCO)CCO","CCN(CCO)CCO",null,"CCN(CCO)CCO","CCN(CCO)CCO"]
[1550,"139-91-3","O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1","O=C1N(CC(O1)CN2CCOCC2)N=Cc3oc(cc3)[N+](=O)[O-]",null,"O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1","O=C1N(CC(O1)CN2CCOCC2)N=Cc3oc(cc3)[N+](=O)[O-]",null,"O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1","O=C1N(CC(O1)CN2CCOCC2)N=Cc3oc(cc3)[N+](=O)[O-]",null,"O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1","O=C1N(CC(O1)CN2CCOCC2)N=Cc3oc(cc3)[N+](=O)[O-]"]
[1551,"139-94-6","CCNC(=O)Nc1ncc([N+](=O)[O-])s1","CCNC(=O)Nc1sc(cn1)[N+](=O)[O-]",null,"CCNC(=O)Nc1ncc([N+](=O)[O-])s1","CCNC(=O)Nc1sc(cn1)[N+](=O)[O-]",null,"CCNC(=O)Nc1ncc([N+](=O)[O-])s1","CCNC(=O)Nc1sc(cn1)[N+](=O)[O-]",null,"CCNC(=O)Nc1ncc([N+](=O)[O-])s1","CCNC(=O)Nc1sc(cn1)[N+](=O)[O-]"]
[1552,"140-10-3","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1",null,"O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1",null,"O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1",null,"O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1"]
[1553,"140-11-4","CC(=O)OCc1ccccc1","CC(=O)OCc1ccccc1",null,"CC(=O)OCc1ccccc1","CC(=O)OCc1ccccc1",null,"CC(=O)OCc1ccccc1","CC(=O)OCc1ccccc1",null,"CC(=O)OCc1ccccc1","CC(=O)OCc1ccccc1"]
[1554,"140-28-3","c1ccc(CNCCNCc2ccccc2)cc1","c1ccc(cc1)CNCCNCc2ccccc2",null,"c1ccc(CNCCNCc2ccccc2)cc1","c1ccc(cc1)CNCCNCc2ccccc2",null,"c1ccc(CNCCNCc2ccccc2)cc1","c1ccc(cc1)CNCCNCc2ccccc2",null,"c1ccc(CNCCNCc2ccccc2)cc1","c1ccc(cc1)CNCCNCc2ccccc2"]
[1555,"140-29-4","N#CCc1ccccc1","N#CCc1ccccc1",null,"N#CCc1ccccc1","N#CCc1ccccc1",null,"N#CCc1ccccc1","N#CCc1ccccc1",null,"N#CCc1ccccc1","N#CCc1ccccc1"]
[1556,"140-56-7","CN(C)c1ccc(N=NS(=O)(=O)[O-])cc1","CN(C)c1ccc(cc1)N=NS(=O)(=O)O","[Na+](1)","CN(C)c1ccc(N=NS(=O)(=O)[O-])cc1","CN(C)c1ccc(cc1)N=NS(=O)(=O)O","[Na+](1)","CN(C)c1ccc(N=NS(=O)(=O)[O-])cc1","CN(C)c1ccc(cc1)N=NS(=O)(=O)O","[Na+](1)","CN(C)c1ccc(N=NS(=O)(=O)[O-])cc1","CN(C)c1ccc(cc1)N=NS(=O)(=O)O","[Na+](1)"]
[1557,"140-67-0","C=CCc1ccc(OC)cc1","C=CCc1ccc(cc1)OC",null,"C=CCc1ccc(OC)cc1","C=CCc1ccc(cc1)OC",null,"C=CCc1ccc(OC)cc1","C=CCc1ccc(cc1)OC",null,"C=CCc1ccc(OC)cc1","C=CCc1ccc(cc1)OC"]
[1558,"140-77-2","O=C(O)CCC1CCCC1","O=C(O)CCC1CCCC1",null,"O=C(O)CCC1CCCC1","O=C(O)CCC1CCCC1",{"$nulls":4},"O=C(O)CCC1CCCC1","O=C(O)CCC1CCCC1"]
[1559,"140-88-5","C=CC(=O)OCC","C=CC(=O)OCC",null,"C=CC(=O)OCC","C=CC(=O)OCC",null,"C=CC(=O)OCC","C=CC(=O)OCC",null,"C=CC(=O)OCC","C=CC(=O)OCC"]
[1560,"141-02-6","CCCCC(CC)COC(=O)C=CC(=O)[O-]","CCCCC(CC)COC(=O)C=CC(=O)O",null,"CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC",null,"CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC",null,"CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC"]
[1561,"141-03-7","CCCCOC(=O)CCC(=O)OCCCC","CCCCOC(=O)CCC(=O)OCCCC",null,"CCCCOC(=O)CCC(=O)OCCCC","CCCCOC(=O)CCC(=O)OCCCC",null,"CCCCOC(=O)CCC(=O)OCCCC","CCCCOC(=O)CCC(=O)OCCCC",null,"CCCCOC(=O)CCC(=O)OCCCC","CCCCOC(=O)CCC(=O)OCCCC"]
[1562,"141-05-9","CCOC(=O)C=CC(=O)OCC","CCOC(=O)C=CC(=O)OCC",null,"CCOC(=O)C=CC(=O)OCC","CCOC(=O)C=CC(=O)OCC",null,"CCOC(=O)C=CC(=O)OCC","CCOC(=O)C=CC(=O)OCC",null,"CCOC(=O)C=CC(=O)OCC","CCOC(=O)C=CC(=O)OCC"]
[1563,"141-28-6","CCOC(=O)CCCCC(=O)OCC","CCOC(=O)CCCCC(=O)OCC",null,"CCOC(=O)CCCCC(=O)OCC","CCOC(=O)CCCCC(=O)OCC",null,"CCOC(=O)CCCCC(=O)OCC","CCOC(=O)CCCCC(=O)OCC",null,"CCOC(=O)CCCCC(=O)OCC","CCOC(=O)CCCCC(=O)OCC"]
[1564,"141-32-2","C=CC(=O)OCCCC","C=CC(=O)OCCCC",null,"C=CC(=O)OCCCC","C=CC(=O)OCCCC",null,"C=CC(=O)OCCCC","C=CC(=O)OCCCC",null,"C=CC(=O)OCCCC","C=CC(=O)OCCCC"]
[1565,"141-43-5","NCCO","NCCO",null,"NCCO","NCCO",null,"NCCO","NCCO",null,"NCCO","NCCO"]
[1566,"141-53-7","O=C[O-]","O=CO","[Na+](1)","O=C[O-]","O=CO","[Na+](1)","O=C[O-]","O=CO","[Na+](1)","O=C[O-]","O=CO","[Na+](1)"]
[1567,"141-62-8","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C",null,"C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C",null,"C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C",null,"C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C"]
[1568,"141-66-2","COP(=O)(OC)OC(C)=CC(=O)N(C)C","COP(=O)(OC)OC(C)=CC(=O)N(C)C",null,"COP(=O)(OC)OC(C)=CC(=O)N(C)C","COP(=O)(OC)OC(C)=CC(=O)N(C)C",null,"COP(=O)(OC)OC(C)=CC(=O)N(C)C","COP(=O)(OC)OC(C)=CC(=O)N(C)C",null,"COP(=O)(OC)OC(C)=CC(=O)N(C)C","COP(=O)(OC)OC(C)=CC(=O)N(C)C"]
[1569,"141-76-4","O=C(O)CCI","O=C(O)CCI",null,"O=C(O)CCI","O=C(O)CCI",{"$nulls":4},"O=C(O)CCI","O=C(O)CCI"]
[1570,"141-78-6","CCOC(C)=O","CCOC(C)=O",null,"CCOC(C)=O","CCOC(C)=O",null,"CCOC(C)=O","CCOC(C)=O",null,"CCOC(C)=O","CCOC(C)=O"]
[1571,"141-79-7","CC(=O)C=C(C)C","CC(=O)C=C(C)C",null,"CC(=O)C=C(C)C","CC(=O)C=C(C)C",null,"CC(=O)C=C(C)C","CC(=O)C=C(C)C",null,"CC(=O)C=C(C)C","CC(=O)C=C(C)C"]
[1572,"141-82-2","O=C(O)CC(=O)O","O=C(O)CC(=O)O",null,"O=C(O)CC(=O)O","O=C(O)CC(=O)O",null,"O=C(O)CC(=O)O","O=C(O)CC(=O)O",null,"O=C(O)CC(=O)O","O=C(O)CC(=O)O"]
[1573,"141-84-4","O=C1CSC(=S)N1","O=C1NC(SC1)=S",null,"O=C1CSC(=S)N1","O=C1NC(SC1)=S",null,"O=C1CSC(=S)N1","O=C1NC(SC1)=S",null,"O=C1CSC(=S)N1","O=C1NC(SC1)=S"]
[1574,"141-90-2","O=c1cc[nH]c(=S)[nH]1","O=c1[nH]c([nH]cc1)=S",null,"O=c1cc[nH]c(=S)[nH]1","O=c1[nH]c([nH]cc1)=S",null,"O=c1cc[nH]c(=S)[nH]1","O=c1[nH]c([nH]cc1)=S",null,"O=c1cc[nH]c(=S)[nH]1","O=c1[nH]c([nH]cc1)=S"]
[1575,"141-93-5","CCc1cccc(CC)c1","CCc1cc(ccc1)CC",null,"CCc1cccc(CC)c1","CCc1cc(ccc1)CC",null,"CCc1cccc(CC)c1","CCc1cc(ccc1)CC",null,"CCc1cccc(CC)c1","CCc1cc(ccc1)CC"]
[1576,"141-97-9","CCOC(=O)CC(C)=O","CCOC(=O)CC(C)=O",null,"CCOC(=O)CC(C)=O","CCOC(=O)CC(C)=O",null,"CCOC(=O)CC(C)=O","CCOC(=O)CC(C)=O",null,"CCOC(=O)CC(C)=O","CCOC(=O)CC(C)=O"]
[1577,"142-08-5","Oc1ccccn1","Oc1ncccc1",null,"O=c1cccc[nH]1","O=c1[nH]cccc1",null,"O=c1cccc[nH]1","O=c1[nH]cccc1",null,"O=c1cccc[nH]1","O=c1[nH]cccc1"]
[1578,"142-26-7","CC(=O)NCCO","CC(=O)NCCO",null,"CC(=O)NCCO","CC(=O)NCCO",null,"CC(=O)NCCO","CC(=O)NCCO",null,"CC(=O)NCCO","CC(=O)NCCO"]
[1579,"142-28-9","ClCCCCl","ClCCCCl",null,"ClCCCCl","ClCCCCl",null,"ClCCCCl","ClCCCCl",null,"ClCCCCl","ClCCCCl"]
[1580,"142-29-0","C1=CCCC1","C=1CCCC1",null,"C1=CCCC1","C=1CCCC1",null,"C1=CCCC1","C=1CCCC1",null,"C1=CCCC1","C=1CCCC1"]
[1581,"142-46-1",{"$nulls":3},"NC(=S)NNC(N)=S","NC(=S)NNC(N)=S",{"$nulls":4},"NC(=S)NNC(N)=S","NC(=S)NNC(N)=S"]
[1582,"142-47-2","NC(CCC(=O)O)C(=O)[O-]","NC(CCC(=O)O)C(=O)O","[Na+](1)","NC(CCC(=O)O)C(=O)[O-]","NC(CCC(=O)O)C(=O)O","[Na+](1)","NC(CCC(=O)O)C(=O)[O-]","NC(CCC(=O)O)C(=O)O","[Na+](1)","NC(CCC(=O)O)C(=O)[O-]","NC(CCC(=O)O)C(=O)O","[Na+](1)"]
[1583,"142-59-6","S=C([S-])NCCNC(=S)[S-]","S=C(S)NCCNC(=S)S","[Na+](2)","S=C([S-])NCCNC(=S)[S-]","S=C(S)NCCNC(=S)S","[Na+](2)","S=C([S-])NCCNC(=S)[S-]","S=C(S)NCCNC(=S)S","[Na+](2)","S=C([S-])NCCNC(=S)[S-]","S=C(S)NCCNC(=S)S","[Na+](2)"]
[1584,"142-62-1","CCCCCC(=O)O","CCCCCC(=O)O",null,"CCCCCC(=O)O","CCCCCC(=O)O",null,"CCCCCC(=O)O","CCCCCC(=O)O",null,"CCCCCC(=O)O","CCCCCC(=O)O"]
[1585,"142-64-3","C1CNCCN1","C1NCCNC1","Cl(1)","C1CNCCN1","C1NCCNC1","[Cl-](2), [H+](2)",{"$nulls":3},"C1CNCCN1","C1NCCNC1","Cl(2)"]
[1586,"142-68-7","C1CCOCC1","C1CCOCC1",null,"C1CCOCC1","C1CCOCC1",null,"C1CCOCC1","C1CCOCC1",null,"C1CCOCC1","C1CCOCC1"]
[1587,"142-73-4","O=C(O)CNCC(=O)O","O=C(O)CNCC(=O)O",null,"O=C(O)CNCC(=O)O","O=C(O)CNCC(=O)O",null,"O=C(O)CNCC(=O)O","O=C(O)CNCC(=O)O",null,"O=C(O)CNCC(=O)O","O=C(O)CNCC(=O)O"]
[1588,"142-82-5","CCCCCCC","CCCCCCC",null,"CCCCCCC","CCCCCCC",null,"CCCCCCC","CCCCCCC",null,"CCCCCCC","CCCCCCC"]
[1589,"142-84-7","CCCNCCC","CCCNCCC",null,"CCCNCCC","CCCNCCC",null,"CCCNCCC","CCCNCCC",null,"CCCNCCC","CCCNCCC"]
[1590,"142-92-7","CCCCCCOC(C)=O","CCCCCCOC(C)=O",null,"CCCCCCOC(C)=O","CCCCCCOC(C)=O",null,"CCCCCCOC(C)=O","CCCCCCOC(C)=O",null,"CCCCCCOC(C)=O","CCCCCCOC(C)=O"]
[1591,"142-96-1","CCCCOCCCC","CCCCOCCCC",null,"CCCCOCCCC","CCCCOCCCC",null,"CCCCOCCCC","CCCCOCCCC",null,"CCCCOCCCC","CCCCOCCCC"]
[1592,"143-07-7","CCCCCCCCCCCC(=O)O","CCCCCCCCCCCC(=O)O",null,"CCCCCCCCCCCC(=O)O","CCCCCCCCCCCC(=O)O",null,"CCCCCCCCCCCC(=O)O","CCCCCCCCCCCC(=O)O",null,"CCCCCCCCCCCC(=O)O","CCCCCCCCCCCC(=O)O"]
[1593,"143-08-8","CCCCCCCCCO","CCCCCCCCCO",null,"CCCCCCCCCO","CCCCCCCCCO",null,"CCCCCCCCCO","CCCCCCCCCO",null,"CCCCCCCCCO","CCCCCCCCCO"]
[1594,"143-16-8","CCCCCCNCCCCCC","CCCCCCNCCCCCC",null,"CCCCCCNCCCCCC","CCCCCCNCCCCCC",null,"CCCCCCNCCCCCC","CCCCCCNCCCCCC",null,"CCCCCCNCCCCCC","CCCCCCNCCCCCC"]
[1595,"143-22-6","CCCCOCCOCCOCCO","CCCCOCCOCCOCCO",null,"CCCCOCCOCCOCCO","CCCCOCCOCCOCCO",null,"CCCCOCCOCCOCCO","CCCCOCCOCCOCCO",null,"CCCCOCCOCCOCCO","CCCCOCCOCCOCCO"]
[1596,"143-50-0","O=C1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","O=C1C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"O=C1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","O=C1C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"O=C1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","O=C1C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"O=C1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","O=C1C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl"]
[1597,"143-81-7","CCC(C)C1(CC)C(=O)[N-]C(=O)NC1=O","CCC(C)C1(C(NC(NC1=O)=O)=O)CC","[Na+](1)","CCC(C)C1(CC)C(=O)[N-]C(=O)NC1=O","CCC(C)C1(C(NC(NC1=O)=O)=O)CC","[Na+](1)","CCC(C)C1(CC)C([O-])=NC(=O)N=C1O","CCC(C)C1(C(=NC(N=C1O)=O)O)CC","[Na+](1)","CCC(C)C1(CC)C([O-])=NC(=O)N=C1O","CCC(C)C1(C(=NC(N=C1O)=O)O)CC","[Na+](1)"]
[1598,"144-16-1","O=C(O)CC1(CC(=O)O)OCOC1=O","O=C(O)CC1(C(OCO1)=O)CC(=O)O",null,"O=C(O)CC1(CC(=O)O)OCOC1=O","O=C(O)CC1(C(OCO1)=O)CC(=O)O",null,"O=C(O)CC1(CC(=O)O)OCOC1=O","O=C(O)CC1(C(OCO1)=O)CC(=O)O",null,"O=C(O)CC1(CC(=O)O)OCOC1=O","O=C(O)CC1(C(OCO1)=O)CC(=O)O"]
[1599,"144-19-4","CC(C)C(O)C(C)(C)CO","CC(C)C(O)C(C)(C)CO",null,"CC(C)C(O)C(C)(C)CO","CC(C)C(O)C(C)(C)CO",null,"CC(C)C(O)C(C)(C)CO","CC(C)C(O)C(C)(C)CO",null,"CC(C)C(O)C(C)(C)CO","CC(C)C(O)C(C)(C)CO"]
[1600,"144-21-8","C[As](=O)([O-])[O-]","C[As](=O)(O)O","[Na+](2)","C[As](=O)([O-])[O-]","C[As](=O)(O)O","[Na+](2)","C[As](=O)([O-])[O-]","C[As](=O)(O)O","[Na+](2)","C[As](=O)([O-])[O-]","C[As](=O)(O)O","[Na+](2)"]
[1601,"144-49-0","O=C(O)CF","O=C(O)CF",null,"O=C(O)CF","O=C(O)CF",{"$nulls":4},"O=C(O)CF","O=C(O)CF"]
[1602,"144-62-7","O=C(O)C(=O)O","O=C(O)C(=O)O",null,"O=C(O)C(=O)O","O=C(O)C(=O)O",null,"O=C(O)C(=O)O","O=C(O)C(=O)O",null,"O=C(O)C(=O)O","O=C(O)C(=O)O"]
[1603,"144-80-9","CC(=O)NS(=O)(=O)c1ccc(N)cc1","CC(=O)NS(=O)(=O)c1ccc(cc1)N",null,"CC(=O)NS(=O)(=O)c1ccc(N)cc1","CC(=O)NS(=O)(=O)c1ccc(cc1)N",null,"CC(=O)NS(=O)(=O)c1ccc(N)cc1","CC(=O)NS(=O)(=O)c1ccc(cc1)N",null,"CC(=O)NS(=O)(=O)c1ccc(N)cc1","CC(=O)NS(=O)(=O)c1ccc(cc1)N"]
[1604,"144-82-1","Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",null,"Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",null,"Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",null,"Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N"]
[1605,"144-83-2","Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2",null,"Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2",null,"Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2",null,"Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2"]
[1606,"144-98-9","CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O",null,"CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O"]
[1607,"145-13-1","CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C","CC(=O)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C",null,"CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C","CC(=O)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C",null,"CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C","CC(=O)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C",null,"CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C","CC(=O)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C"]
[1608,"145-73-3","O=C(O)C1C2CCC(O2)C1C(=O)O","O=C(O)C1C(C2CCC1O2)C(=O)O",null,"O=C([O-])C1C2CCC(O2)C1C(=O)[O-]","O=C(O)C1C(C2CCC1O2)C(=O)O","[Na+](2)","O=C(O)C1C2CCC(O2)C1C(=O)O","O=C(O)C1C(C2CCC1O2)C(=O)O",null,"O=C(O)C1C2CCC(O2)C1C(=O)O","O=C(O)C1C(C2CCC1O2)C(=O)O"]
[1609,"147-71-7","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",null,"O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",null,"O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",null,"O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O"]
[1610,"147-73-9","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",null,"O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",{"$nulls":4},"O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O"]
[1611,"147-81-9","O=CC(O)C(O)C(O)CO","O=CC(O)C(O)C(O)CO",null,"OC1COC(O)C(O)C1O","OC1C(C(C(OC1)O)O)O",null,"O=CC(O)C(O)C(O)CO","O=CC(O)C(O)C(O)CO",null,"O=CC(O)C(O)C(O)CO","O=CC(O)C(O)C(O)CO"]
[1612,"147-85-3","O=C(O)C1CCCN1","O=C(O)C1NCCC1",null,"O=C(O)C1CCCN1","O=C(O)C1NCCC1",null,"O=C(O)C1CCCN1","O=C(O)C1NCCC1",null,"O=C(O)C1CCCN1","O=C(O)C1NCCC1"]
[1613,"148-01-6","Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1C(N)=O)[N+](=O)[O-])[N+](=O)[O-]",null,"Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1C(N)=O)[N+](=O)[O-])[N+](=O)[O-]",null,"Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1C(N)=O)[N+](=O)[O-])[N+](=O)[O-]",null,"Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1C(N)=O)[N+](=O)[O-])[N+](=O)[O-]"]
[1614,"148-24-3","Oc1cccc2cccnc12","Oc1c2c(ccc1)cccn2",null,"Oc1cccc2cccnc12","Oc1c2c(ccc1)cccn2",null,"Oc1cccc2cccnc12","Oc1c2c(ccc1)cccn2",null,"Oc1cccc2cccnc12","Oc1c2c(ccc1)cccn2"]
[1615,"148-56-1","NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC=NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)C(F)(F)F",null,"NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC=NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)C(F)(F)F",{"$nulls":4},"NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC=NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)C(F)(F)F"]
[1616,"148-65-2","CN(C)CCN(Cc1ccc(Cl)s1)c1ccccn1","CN(C)CCN(Cc1sc(cc1)Cl)c2ncccc2",null,"CN(C)CCN(Cc1ccc(Cl)s1)c1ccccn1","CN(C)CCN(Cc1sc(cc1)Cl)c2ncccc2","OC(=O)CC(O)(CC(O)=O)C(O)=O(1)","CN(C)CCN(Cc1ccc(Cl)s1)c1ccccn1","CN(C)CCN(Cc1sc(cc1)Cl)c2ncccc2",null,"CN(C)CCN(Cc1ccc(Cl)s1)c1ccccn1","CN(C)CCN(Cc1sc(cc1)Cl)c2ncccc2"]
[1617,"148-79-8","c1ccc2[nH]c(-c3cscn3)nc2c1","c1cc2c(cc1)[nH]c(-c3ncsc3)n2",null,"c1ccc2[nH]c(-c3cscn3)nc2c1","c1cc2c(cc1)[nH]c(-c3ncsc3)n2",null,"c1ccc2[nH]c(-c3cscn3)nc2c1","c1cc2c(cc1)[nH]c(-c3ncsc3)n2",null,"c1ccc2[nH]c(-c3cscn3)nc2c1","c1cc2c(cc1)[nH]c(-c3ncsc3)n2"]
[1618,"149-26-8",{"$nulls":3},"O=S(=O)(O)OCCOc1ccc(Cl)cc1Cl","O=S(=O)(O)OCCOc1c(cc(cc1)Cl)Cl",null,"O=S(=O)(O)OCCOc1ccc(Cl)cc1Cl","O=S(=O)(O)OCCOc1c(cc(cc1)Cl)Cl",null,"O=S(=O)(O)OCCOc1ccc(Cl)cc1Cl","O=S(=O)(O)OCCOc1c(cc(cc1)Cl)Cl"]
[1619,"149-30-4","Sc1nc2ccccc2s1","Sc1sc2c(n1)cccc2",null,"S=c1[nH]c2ccccc2s1","S=c1sc2c([nH]1)cccc2",null,"Sc1nc2ccccc2s1","Sc1sc2c(n1)cccc2",null,"Sc1nc2ccccc2s1","Sc1sc2c(n1)cccc2"]
[1620,"149-32-6","OCC(O)C(O)CO","OCC(O)C(O)CO",null,"OCC(O)C(O)CO","OCC(O)C(O)CO",null,"OCC(O)C(O)CO","OCC(O)C(O)CO",null,"OCC(O)C(O)CO","OCC(O)C(O)CO"]
[1621,"149-57-5","CCCCC(CC)C(=O)O","CCCCC(CC)C(=O)O",null,"CCCCC(CC)C(=O)O","CCCCC(CC)C(=O)O",null,"CCCCC(CC)C(=O)O","CCCCC(CC)C(=O)O",null,"CCCCC(CC)C(=O)O","CCCCC(CC)C(=O)O"]
[1622,"149-91-7","O=C(O)c1cc(O)c(O)c(O)c1","O=C(O)c1cc(c(c(c1)O)O)O",null,"O=C(O)c1cc(O)c(O)c(O)c1","O=C(O)c1cc(c(c(c1)O)O)O",null,"O=C(O)c1cc(O)c(O)c(O)c1","O=C(O)c1cc(c(c(c1)O)O)O",null,"O=C(O)c1cc(O)c(O)c(O)c1","O=C(O)c1cc(c(c(c1)O)O)O"]
[1623,"150-13-0","Nc1ccc(C(=O)O)cc1","Nc1ccc(cc1)C(=O)O",null,"Nc1ccc(C(=O)O)cc1","Nc1ccc(cc1)C(=O)O",null,"Nc1ccc(C(=O)O)cc1","Nc1ccc(cc1)C(=O)O",null,"Nc1ccc(C(=O)O)cc1","Nc1ccc(cc1)C(=O)O"]
[1624,"150-19-6","COc1cccc(O)c1","COc1cc(ccc1)O",null,"COc1cccc(O)c1","COc1cc(ccc1)O",null,"COc1cccc(O)c1","COc1cc(ccc1)O",null,"COc1cccc(O)c1","COc1cc(ccc1)O"]
[1625,"150-30-1","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",null,"NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",null,"NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",null,"NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O"]
[1626,"150-68-5","CN(C)C(=O)Nc1ccc(Cl)cc1","CN(C)C(=O)Nc1ccc(cc1)Cl",null,"CN(C)C(=O)Nc1ccc(Cl)cc1","CN(C)C(=O)Nc1ccc(cc1)Cl",null,"CN(C)C(=O)Nc1ccc(Cl)cc1","CN(C)C(=O)Nc1ccc(cc1)Cl",null,"CN(C)C(=O)Nc1ccc(Cl)cc1","CN(C)C(=O)Nc1ccc(cc1)Cl"]
[1627,"150-69-6","CCOc1ccc(NC(N)=O)cc1","CCOc1ccc(cc1)NC(N)=O",null,"CCOc1ccc(NC(N)=O)cc1","CCOc1ccc(cc1)NC(N)=O",null,"CCOc1ccc(NC(N)=O)cc1","CCOc1ccc(cc1)NC(N)=O",null,"CCOc1ccc(NC(N)=O)cc1","CCOc1ccc(cc1)NC(N)=O"]
[1628,"150-76-5","COc1ccc(O)cc1","COc1ccc(cc1)O",null,"COc1ccc(O)cc1","COc1ccc(cc1)O",null,"COc1ccc(O)cc1","COc1ccc(cc1)O",null,"COc1ccc(O)cc1","COc1ccc(cc1)O"]
[1629,"150-90-3","O=C([O-])CCC(=O)[O-]","O=C(O)CCC(=O)O","[Na+](2)","O=C([O-])CCC(=O)[O-]","O=C(O)CCC(=O)O","[Na+](2)","O=C([O-])CCC(=O)[O-]","O=C(O)CCC(=O)O","[Na+](2)","O=C([O-])CCC(=O)[O-]","O=C(O)CCC(=O)O","[Na+](2)"]
[1630,"151-50-8","[K+]","[K+]","[C-]#N(1)","[K+]","[K+]","[C-]#N(1)","[K+]","[K+]","[C-]#N(1)","[K+]","[K+]","[C-]#N(1)",null,"Organic counterion"]
[1631,"151-56-4","C1CN1","C1NC1",null,"C1CN1","C1NC1",null,"C1CN1","C1NC1",null,"C1CN1","C1NC1"]
[1632,"151-67-7","FC(F)(F)C(Cl)Br","FC(F)(F)C(Cl)Br",null,"FC(F)(F)C(Cl)Br","FC(F)(F)C(Cl)Br",null,"FC(F)(F)C(Cl)Br","FC(F)(F)C(Cl)Br",null,"FC(F)(F)C(Cl)Br","FC(F)(F)C(Cl)Br"]
[1633,"152-16-9","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C",null,"CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C",null,"CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C",null,"CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C"]
[1634,"152-93-2","Nc1nc(=O)c(OC2OC(CO)C(O)C(O)C2O)c(N)[nH]1","Nc1[nH]c(c(c(n1)=O)OC2C(C(C(C(O2)CO)O)O)O)N",null,"Nc1nc(=O)c(OC2OC(CO)C(O)C(O)C2O)c(N)[nH]1","Nc1[nH]c(c(c(n1)=O)OC2C(C(C(C(O2)CO)O)O)O)N",null,"N=c1nc(O)c(OC2OC(CO)C(O)C(O)C2O)c(N)[nH]1","N=c1[nH]c(c(c(n1)O)OC2C(C(C(C(O2)CO)O)O)O)N",null,"N=c1nc(O)c(OC2OC(CO)C(O)C(O)C2O)c(N)[nH]1","N=c1[nH]c(c(c(n1)O)OC2C(C(C(C(O2)CO)O)O)O)N"]
[1635,"152-97-6","CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)C(O)C2)C)C(=O)CO",null,"CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)C(O)C2)C)C(=O)CO",null,"CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)C(O)C2)C)C(=O)CO",null,"CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)C(O)C2)C)C(=O)CO"]
[1636,"154-93-8",{"$nulls":3},"O=NN(CCCl)C(=O)NCCCl","O=NN(CCCl)C(=O)NCCCl",{"$nulls":4},"O=NN(CCCl)C(=O)NCCCl","O=NN(CCCl)C(=O)NCCCl"]
[1637,"156-38-7","O=C(O)Cc1ccc(O)cc1","O=C(O)Cc1ccc(cc1)O",null,"O=C(O)Cc1ccc(O)cc1","O=C(O)Cc1ccc(cc1)O",null,"O=C(O)Cc1ccc(O)cc1","O=C(O)Cc1ccc(cc1)O",null,"O=C(O)Cc1ccc(O)cc1","O=C(O)Cc1ccc(cc1)O"]
[1638,"156-59-2",{"$nulls":3},"ClC=CCl","ClC=CCl",null,"ClC=CCl","ClC=CCl",null,"ClC=CCl","ClC=CCl"]
[1639,"156-60-5",{"$nulls":3},"ClC=CCl","ClC=CCl",null,"ClC=CCl","ClC=CCl",null,"ClC=CCl","ClC=CCl"]
[1640,"176-25-0","C1COC2(C1)CCCO2","C1CC2(OC1)OCCC2",null,"C1COC2(C1)CCCO2","C1CC2(OC1)OCCC2",{"$nulls":4},"C1COC2(C1)CCCO2","C1CC2(OC1)OCCC2"]
[1641,"191-07-1","c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61","c1c2ccc3ccc4ccc5ccc6ccc(c1)c7c2c3c4c5c67",null,"c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61","c1c2ccc3ccc4ccc5ccc6ccc(c1)c7c2c3c4c5c67",null,"c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61","c1c2ccc3ccc4ccc5ccc6ccc(c1)c7c2c3c4c5c67",null,"c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61","c1c2ccc3ccc4ccc5ccc6ccc(c1)c7c2c3c4c5c67"]
[1642,"191-24-2","c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56","c1cc2c3cccc4ccc5ccc6ccc(c1)c2c6c5c43",null,"c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56","c1cc2c3cccc4ccc5ccc6ccc(c1)c2c6c5c43",null,"c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56","c1cc2c3cccc4ccc5ccc6ccc(c1)c2c6c5c43",null,"c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56","c1cc2c3cccc4ccc5ccc6ccc(c1)c2c6c5c43"]
[1643,"192-97-2","c1ccc2c(c1)c1cccc3ccc4cccc2c4c31","c1cc2c(cc1)c3cccc4ccc5cccc2c5c43",null,"c1ccc2c(c1)c1cccc3ccc4cccc2c4c31","c1cc2c(cc1)c3cccc4ccc5cccc2c5c43",null,"c1ccc2c(c1)c1cccc3ccc4cccc2c4c31","c1cc2c(cc1)c3cccc4ccc5cccc2c5c43",null,"c1ccc2c(c1)c1cccc3ccc4cccc2c4c31","c1cc2c(cc1)c3cccc4ccc5cccc2c5c43"]
[1644,"193-39-5","c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45","c1cc-2c(cc1)-c3cc4cccc5ccc6ccc2c3c6c54",null,"c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45","c1cc-2c(cc1)-c3cc4cccc5ccc6ccc2c3c6c54",null,"c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45","c1cc-2c(cc1)-c3cc4cccc5ccc6ccc2c3c6c54",null,"c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45","c1cc-2c(cc1)-c3cc4cccc5ccc6ccc2c3c6c54"]
[1645,"194-59-2","c1ccc2c(c1)ccc1[nH]c3ccc4ccccc4c3c12","c1cc2c(cc1)c3c(cc2)[nH]c4c3c5c(cc4)cccc5",null,"c1ccc2c(c1)ccc1[nH]c3ccc4ccccc4c3c12","c1cc2c(cc1)c3c(cc2)[nH]c4c3c5c(cc4)cccc5",null,"c1ccc2c(c1)ccc1[nH]c3ccc4ccccc4c3c12","c1cc2c(cc1)c3c(cc2)[nH]c4c3c5c(cc4)cccc5",null,"c1ccc2c(c1)ccc1[nH]c3ccc4ccccc4c3c12","c1cc2c(cc1)c3c(cc2)[nH]c4c3c5c(cc4)cccc5"]
[1646,"195-19-7","c1ccc2c(c1)ccc1ccc3ccccc3c12","c1cc2c(cc1)c3c(cc2)ccc4c3cccc4",null,"c1ccc2c(c1)ccc1ccc3ccccc3c12","c1cc2c(cc1)c3c(cc2)ccc4c3cccc4",null,"c1ccc2c(c1)ccc1ccc3ccccc3c12","c1cc2c(cc1)c3c(cc2)ccc4c3cccc4",null,"c1ccc2c(c1)ccc1ccc3ccccc3c12","c1cc2c(cc1)c3c(cc2)ccc4c3cccc4"]
[1647,"198-55-0","c1cc2cccc3c4cccc5cccc(c(c1)c23)c54","c1cc2c3cccc4cccc(c5cccc(c1)c52)c43",null,"c1cc2cccc3c4cccc5cccc(c(c1)c23)c54","c1cc2c3cccc4cccc(c5cccc(c1)c52)c43",null,"c1cc2cccc3c4cccc5cccc(c(c1)c23)c54","c1cc2c3cccc4cccc(c5cccc(c1)c52)c43",null,"c1cc2cccc3c4cccc5cccc(c(c1)c23)c54","c1cc2c3cccc4cccc(c5cccc(c1)c52)c43"]
[1648,"203-20-3",{"$nulls":3},"c1ccc2c(c1)-c1cccc3cc4c(ccc5ccccc54)c-2c13","c1cc-2c(cc1)-c3c4c(cc5cccc2c53)c6c(cc4)cccc6",{"$nulls":4},"c1ccc2c(c1)-c1cccc3cc4c(ccc5ccccc54)c-2c13","c1cc-2c(cc1)-c3c4c(cc5cccc2c53)c6c(cc4)cccc6"]
[1649,"203-64-5","c1cc2c3c(c1)ccc1cccc(c13)C2","c1cc2c3c(c1)Cc4cccc(cc2)c34",null,"c1cc2c3c(c1)ccc1cccc(c13)C2","c1cc2c3c(c1)Cc4cccc(cc2)c34",null,"c1cc2c3c(c1)ccc1cccc(c13)C2","c1cc2c3c(c1)Cc4cccc(cc2)c34",null,"c1cc2c3c(c1)ccc1cccc(c13)C2","c1cc2c3c(c1)Cc4cccc(cc2)c34"]
[1650,"205-82-3","c1ccc2c3c(ccc2c1)-c1cccc2cccc-3c12","c1cc2c(cc1)c3-c4cccc5cccc(-c3cc2)c54",null,"c1ccc2c3c(ccc2c1)-c1cccc2cccc-3c12","c1cc2c(cc1)c3-c4cccc5cccc(-c3cc2)c54",null,"c1ccc2c3c(ccc2c1)-c1cccc2cccc-3c12","c1cc2c(cc1)c3-c4cccc5cccc(-c3cc2)c54",null,"c1ccc2c3c(ccc2c1)-c1cccc2cccc-3c12","c1cc2c(cc1)c3-c4cccc5cccc(-c3cc2)c54"]
[1651,"205-99-2","c1ccc2c(c1)-c1cccc3c1c-2cc1ccccc13","c1cc-2c(cc1)-c3c4c2cccc4c5c(c3)cccc5",null,"c1ccc2c(c1)-c1cccc3c1c-2cc1ccccc13","c1cc-2c(cc1)-c3c4c2cccc4c5c(c3)cccc5",null,"c1ccc2c(c1)-c1cccc3c1c-2cc1ccccc13","c1cc-2c(cc1)-c3c4c2cccc4c5c(c3)cccc5",null,"c1ccc2c(c1)-c1cccc3c1c-2cc1ccccc13","c1cc-2c(cc1)-c3c4c2cccc4c5c(c3)cccc5"]
[1652,"206-44-0","c1ccc2c(c1)-c1cccc3cccc-2c13","c1cc-2c(cc1)-c3cccc4cccc2c43",null,"c1ccc2c(c1)-c1cccc3cccc-2c13","c1cc-2c(cc1)-c3cccc4cccc2c43",null,"c1ccc2c(c1)-c1cccc3cccc-2c13","c1cc-2c(cc1)-c3cccc4cccc2c43",null,"c1ccc2c(c1)-c1cccc3cccc-2c13","c1cc-2c(cc1)-c3cccc4cccc2c43"]
[1653,"207-08-9","c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12","c1cc2c(cc1)cc3-c4cccc5cccc(-c3c2)c54",null,"c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12","c1cc2c(cc1)cc3-c4cccc5cccc(-c3c2)c54",null,"c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12","c1cc2c(cc1)cc3-c4cccc5cccc(-c3c2)c54",null,"c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12","c1cc2c(cc1)cc3-c4cccc5cccc(-c3c2)c54"]
[1654,"208-96-8","C1=Cc2cccc3cccc1c23","C=1c2cccc3cccc(C1)c32",null,"C1=Cc2cccc3cccc1c23","C=1c2cccc3cccc(C1)c32",null,"C1=Cc2cccc3cccc1c23","C=1c2cccc3cccc(C1)c32",null,"C1=Cc2cccc3cccc1c23","C=1c2cccc3cccc(C1)c32"]
[1655,"213-46-7","c1ccc2c(c1)ccc1c2ccc2c3ccccc3ccc21","c1cc2c(cc1)c3c(cc2)c4c(cc3)c5c(cccc5)cc4",null,"c1ccc2c(c1)ccc1c2ccc2c3ccccc3ccc21","c1cc2c(cc1)c3c(cc2)c4c(cc3)c5c(cccc5)cc4",null,"c1ccc2c(c1)ccc1c2ccc2c3ccccc3ccc21","c1cc2c(cc1)c3c(cc2)c4c(cc3)c5c(cccc5)cc4",null,"c1ccc2c(c1)ccc1c2ccc2c3ccccc3ccc21","c1cc2c(cc1)c3c(cc2)c4c(cc3)c5c(cccc5)cc4"]
[1656,"215-58-7","c1ccc2cc3c4ccccc4c4ccccc4c3cc2c1","c1cc2c(cc1)cc3c(c4c(c5c3cccc5)cccc4)c2",null,"c1ccc2cc3c4ccccc4c4ccccc4c3cc2c1","c1cc2c(cc1)cc3c(c4c(c5c3cccc5)cccc4)c2",null,"c1ccc2cc3c4ccccc4c4ccccc4c3cc2c1","c1cc2c(cc1)cc3c(c4c(c5c3cccc5)cccc4)c2",null,"c1ccc2cc3c4ccccc4c4ccccc4c3cc2c1","c1cc2c(cc1)cc3c(c4c(c5c3cccc5)cccc4)c2"]
[1657,"217-59-4","c1ccc2c(c1)c1ccccc1c1ccccc21","c1cc2c(cc1)c3c(c4c2cccc4)cccc3",null,"c1ccc2c(c1)c1ccccc1c1ccccc21","c1cc2c(cc1)c3c(c4c2cccc4)cccc3",null,"c1ccc2c(c1)c1ccccc1c1ccccc21","c1cc2c(cc1)c3c(c4c2cccc4)cccc3",null,"c1ccc2c(c1)c1ccccc1c1ccccc21","c1cc2c(cc1)c3c(c4c2cccc4)cccc3"]
[1658,"218-01-9","c1ccc2c(c1)ccc1c3ccccc3ccc21","c1cc2c(cc1)c3c(cc2)c4c(cccc4)cc3",null,"c1ccc2c(c1)ccc1c3ccccc3ccc21","c1cc2c(cc1)c3c(cc2)c4c(cccc4)cc3",null,"c1ccc2c(c1)ccc1c3ccccc3ccc21","c1cc2c(cc1)c3c(cc2)c4c(cccc4)cc3",null,"c1ccc2c(c1)ccc1c3ccccc3ccc21","c1cc2c(cc1)c3c(cc2)c4c(cccc4)cc3"]
[1659,"224-41-9","c1ccc2c(c1)ccc1cc3ccc4ccccc4c3cc12","c1cc2c(cc1)c3c(cc2)cc4c(c5c(cc4)cccc5)c3",null,"c1ccc2c(c1)ccc1cc3ccc4ccccc4c3cc12","c1cc2c(cc1)c3c(cc2)cc4c(c5c(cc4)cccc5)c3",null,"c1ccc2c(c1)ccc1cc3ccc4ccccc4c3cc12","c1cc2c(cc1)c3c(cc2)cc4c(c5c(cc4)cccc5)c3",null,"c1ccc2c(c1)ccc1cc3ccc4ccccc4c3cc12","c1cc2c(cc1)c3c(cc2)cc4c(c5c(cc4)cccc5)c3"]
[1660,"224-62-4","c1ccc2c3c(ccc2c1)Sc1ccc2ccccc2c1N3","c1cc2c(cc1)c3Nc4c(Sc3cc2)ccc5c4cccc5",null,"c1ccc2c3c(ccc2c1)Sc1ccc2ccccc2c1N3","c1cc2c(cc1)c3Nc4c(Sc3cc2)ccc5c4cccc5",null,"c1ccc2c3c(ccc2c1)Sc1ccc2ccccc2c1N3","c1cc2c(cc1)c3Nc4c(Sc3cc2)ccc5c4cccc5",null,"c1ccc2c3c(ccc2c1)Sc1ccc2ccccc2c1N3","c1cc2c(cc1)c3Nc4c(Sc3cc2)ccc5c4cccc5"]
[1661,"224-72-6","c1ccc2c3c(ccc2c1)Nc1ccc2ccccc2c1S3","c1cc2c(cc1)c3Sc4c(Nc3cc2)ccc5c4cccc5",null,"c1ccc2c3c(ccc2c1)Nc1ccc2ccccc2c1S3","c1cc2c(cc1)c3Sc4c(Nc3cc2)ccc5c4cccc5",null,"c1ccc2c3c(ccc2c1)Nc1ccc2ccccc2c1S3","c1cc2c(cc1)c3Sc4c(Nc3cc2)ccc5c4cccc5",null,"c1ccc2c3c(ccc2c1)Nc1ccc2ccccc2c1S3","c1cc2c(cc1)c3Sc4c(Nc3cc2)ccc5c4cccc5"]
[1662,"225-83-2","c1ccc2c(c1)Nc1ccc3ccccc3c1S2","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4",null,"c1ccc2c(c1)Nc1c(ccc3ccccc13)S2","c1cc2c(cc1)Sc3c(N2)c4c(cc3)cccc4",{"$nulls":4},"c1ccc2c(c1)Nc1c(ccc3ccccc13)S2","c1cc2c(cc1)Sc3c(N2)c4c(cc3)cccc4"]
[1663,"226-06-2","c1ccc2c(c1)Nc1ccc3ccccc3c1S2","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4",null,"c1ccc2c(c1)Nc1ccc3ccccc3c1S2","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4",null,"c1ccc2c(c1)Nc1ccc3ccccc3c1S2","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4",null,"c1ccc2c(c1)Nc1ccc3ccccc3c1S2","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4"]
[1664,"226-36-8","c1ccc2c(c1)ccc1nc3c(ccc4ccccc43)cc12","c1cc2c(cc1)c3c(cc2)nc4c5c(ccc4c3)cccc5",null,"c1ccc2c(c1)ccc1nc3c(ccc4ccccc43)cc12","c1cc2c(cc1)c3c(cc2)nc4c5c(ccc4c3)cccc5",null,"c1ccc2c(c1)ccc1nc3ccc4ccccc4c3cc12","c1cc2c(cc1)c3c(cc2)nc4c(c5c(cc4)cccc5)c3",null,"c1ccc2c(c1)ccc1nc3c(ccc4ccccc43)cc12","c1cc2c(cc1)c3c(cc2)nc4c5c(ccc4c3)cccc5"]
[1665,"229-87-8","c1ccc2c(c1)cnc1ccccc12","c1cc2c(cc1)c3c(nc2)cccc3",null,"c1ccc2c(c1)cnc1ccccc12","c1cc2c(cc1)c3c(nc2)cccc3",null,"c1ccc2c(c1)cnc1ccccc12","c1cc2c(cc1)c3c(nc2)cccc3",null,"c1ccc2c(c1)cnc1ccccc12","c1cc2c(cc1)c3c(nc2)cccc3"]
[1666,"230-46-6","c1cnc2c(c1)ccc1ncccc12","c1cc2c(nc1)c3c(cc2)nccc3",null,"c1cnc2c(c1)ccc1ncccc12","c1cc2c(nc1)c3c(cc2)nccc3"]
[1667,"238-84-6","c1ccc2c(c1)Cc1c-2ccc2ccccc12","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4",null,"c1ccc2c(c1)Cc1c-2ccc2ccccc12","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4",null,"c1ccc2c(c1)Cc1c-2ccc2ccccc12","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4",null,"c1ccc2c(c1)Cc1c-2ccc2ccccc12","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4"]
[1668,"239-64-5","c1ccc2c(c1)ccc1c3ccc4ccccc4c3[nH]c21","c1cc2c(cc1)c3c(cc2)c4c(c5c(cc4)cccc5)[nH]3",null,"c1ccc2c(c1)ccc1c3ccc4ccccc4c3[nH]c21","c1cc2c(cc1)c3c(cc2)c4c(c5c(cc4)cccc5)[nH]3",{"$nulls":4},"c1ccc2c(c1)ccc1c3ccc4ccccc4c3[nH]c21","c1cc2c(cc1)c3c(cc2)c4c(c5c(cc4)cccc5)[nH]3"]
[1669,"243-17-4","c1ccc2c(c1)Cc1cc3ccccc3cc1-2","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3",null,"c1ccc2c(c1)Cc1cc3ccccc3cc1-2","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3",null,"c1ccc2c(c1)Cc1cc3ccccc3cc1-2","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3",null,"c1ccc2c(c1)Cc1cc3ccccc3cc1-2","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3"]
[1670,"253-52-1","c1ccc2cnncc2c1","c1cc2c(cc1)cnnc2",null,"c1ccc2cnncc2c1","c1cc2c(cc1)cnnc2",null,"c1ccc2cnncc2c1","c1cc2c(cc1)cnnc2"]
[1671,"260-94-6","c1ccc2nc3ccccc3cc2c1","c1cc2c(cc1)nc3c(cccc3)c2",null,"c1ccc2nc3ccccc3cc2c1","c1cc2c(cc1)nc3c(cccc3)c2",null,"c1ccc2nc3ccccc3cc2c1","c1cc2c(cc1)nc3c(cccc3)c2",null,"c1ccc2nc3ccccc3cc2c1","c1cc2c(cc1)nc3c(cccc3)c2"]
[1672,"262-12-4","c1ccc2c(c1)Oc1ccccc1O2","c1cc2c(cc1)Oc3c(O2)cccc3",null,"c1ccc2c(c1)Oc1ccccc1O2","c1cc2c(cc1)Oc3c(O2)cccc3",null,"c1ccc2c(c1)Oc1ccccc1O2","c1cc2c(cc1)Oc3c(O2)cccc3",null,"c1ccc2c(c1)Oc1ccccc1O2","c1cc2c(cc1)Oc3c(O2)cccc3"]
[1673,"271-44-3","c1ccc2[nH]ncc2c1","c1cc2c(cc1)[nH]nc2",null,"c1ccc2[nH]ncc2c1","c1cc2c(cc1)[nH]nc2",null,"c1ccc2[nH]ncc2c1","c1cc2c(cc1)[nH]nc2",null,"c1ccc2[nH]ncc2c1","c1cc2c(cc1)[nH]nc2"]
[1674,"273-40-5","c1ncc2[nH]nnc2n1","c1nc2c(cn1)[nH]nn2",null,"c1ncc2n[nH]nc2n1","c1nc2c(cn1)n[nH]n2",{"$nulls":4},"c1ncc2n[nH]nc2n1","c1nc2c(cn1)n[nH]n2"]
[1675,"273-53-0","c1ccc2ocnc2c1","c1cc2c(cc1)ocn2",null,"c1ccc2ocnc2c1","c1cc2c(cc1)ocn2",null,"c1ccc2ocnc2c1","c1cc2c(cc1)ocn2",null,"c1ccc2ocnc2c1","c1cc2c(cc1)ocn2"]
[1676,"280-57-9",{"$nulls":3},"C1CN2CCN1CC2","C1N2CCN(C1)CC2",null,"C1CN2CCN1CC2","C1N2CCN(C1)CC2",null,"C1CN2CCN1CC2","C1N2CCN(C1)CC2"]
[1677,"287-92-3","C1CCCC1","C1CCCC1",null,"C1CCCC1","C1CCCC1",null,"C1CCCC1","C1CCCC1",null,"C1CCCC1","C1CCCC1"]
[1678,"288-13-1","c1cn[nH]c1","c1c[nH]nc1",null,"c1cn[nH]c1","c1c[nH]nc1",null,"c1cn[nH]c1","c1c[nH]nc1",null,"c1cn[nH]c1","c1c[nH]nc1"]
[1679,"288-14-2",{"$nulls":3},"c1cnoc1","c1conc1",null,"c1cnoc1","c1conc1",null,"c1cnoc1","c1conc1"]
[1680,"288-48-2","c1csnn1","c1nnsc1",null,"c1csnn1","c1nnsc1",null,"c1csnn1","c1nnsc1",null,"c1csnn1","c1nnsc1"]
[1681,"289-80-5","c1ccnnc1","c1cnncc1",null,"c1ccnnc1","c1cnncc1",null,"c1ccnnc1","c1cnncc1",null,"c1ccnnc1","c1cnncc1"]
[1682,"289-95-2","c1cncnc1","c1cncnc1",null,"c1cncnc1","c1cncnc1",null,"c1cncnc1","c1cncnc1",null,"c1cncnc1","c1cncnc1"]
[1683,"291-64-5","C1CCCCCC1","C1CCCCCC1",null,"C1CCCCCC1","C1CCCCCC1",null,"C1CCCCCC1","C1CCCCCC1",null,"C1CCCCCC1","C1CCCCCC1"]
[1684,"292-64-8","C1CCCCCCC1","C1CCCCCCC1",null,"C1CCCCCCC1","C1CCCCCCC1",null,"C1CCCCCCC1","C1CCCCCCC1",null,"C1CCCCCCC1","C1CCCCCCC1"]
[1685,"297-97-2","CCOP(=S)(OCC)Oc1cnccn1","CCOP(=S)(OCC)Oc1nccnc1",null,"CCOP(=S)(OCC)Oc1cnccn1","CCOP(=S)(OCC)Oc1nccnc1",null,"CCOP(=S)(OCC)Oc1cnccn1","CCOP(=S)(OCC)Oc1nccnc1",null,"CCOP(=S)(OCC)Oc1cnccn1","CCOP(=S)(OCC)Oc1nccnc1"]
[1686,"297-99-4","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC",null,"CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC",null,"CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC",null,"CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC"]
[1687,"298-00-0","COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1","COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]",null,"COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1","COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]",null,"COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1","COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]"]
[1688,"298-01-1","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",null,"COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",{"$nulls":4},"COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC"]
[1689,"298-02-2","CCOP(=S)(OCC)SCSCC","CCOP(=S)(OCC)SCSCC",null,"CCOP(=S)(OCC)SCSCC","CCOP(=S)(OCC)SCSCC",null,"CCOP(=S)(OCC)SCSCC","CCOP(=S)(OCC)SCSCC",null,"CCOP(=S)(OCC)SCSCC","CCOP(=S)(OCC)SCSCC"]
[1690,"298-03-3","CCOP(=S)(OCC)OCCSCC","CCOP(=S)(OCC)OCCSCC",null,"CCOP(=S)(OCC)OCCSCC","CCOP(=S)(OCC)OCCSCC",null,"CCOP(=S)(OCC)OCCSCC","CCOP(=S)(OCC)OCCSCC",null,"CCOP(=S)(OCC)OCCSCC","CCOP(=S)(OCC)OCCSCC"]
[1691,"298-04-4","CCOP(=S)(OCC)SCCSCC","CCOP(=S)(OCC)SCCSCC",null,"CCOP(=S)(OCC)SCCSCC","CCOP(=S)(OCC)SCCSCC",null,"CCOP(=S)(OCC)SCCSCC","CCOP(=S)(OCC)SCCSCC",null,"CCOP(=S)(OCC)SCCSCC","CCOP(=S)(OCC)SCCSCC"]
[1692,"298-18-0","C1OC1C1CO1","C1C(O1)C2OC2",null,"C1OC1C1CO1","C1C(O1)C2OC2",null,"C1OC1C1CO1","C1C(O1)C2OC2",null,"C1OC1C1CO1","C1C(O1)C2OC2"]
[1693,"298-46-4","NC(=O)N1c2ccccc2C=Cc2ccccc21","NC(=O)N1c2c(C=Cc3c1cccc3)cccc2",null,"NC(=O)N1c2ccccc2C=Cc2ccccc21","NC(=O)N1c2c(C=Cc3c1cccc3)cccc2",null,"NC(=O)N1c2ccccc2C=Cc2ccccc21","NC(=O)N1c2c(C=Cc3c1cccc3)cccc2",null,"NC(=O)N1c2ccccc2C=Cc2ccccc21","NC(=O)N1c2c(C=Cc3c1cccc3)cccc2"]
[1694,"298-57-7","C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1","C(=Cc1ccccc1)CN2CCN(CC2)C(c3ccccc3)c4ccccc4",null,"C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1","C(=Cc1ccccc1)CN2CCN(CC2)C(c3ccccc3)c4ccccc4",null,"C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1","C(=Cc1ccccc1)CN2CCN(CC2)C(c3ccccc3)c4ccccc4",null,"C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1","C(=Cc1ccccc1)CN2CCN(CC2)C(c3ccccc3)c4ccccc4"]
[1695,"298-81-7","COc1c2occc2cc2ccc(=O)oc12","COc1c2c(cc3c1occ3)ccc(=O)o2",null,"COc1c2occc2cc2ccc(=O)oc12","COc1c2c(cc3c1occ3)ccc(=O)o2",null,"COc1c2occc2cc2ccc(=O)oc12","COc1c2c(cc3c1occ3)ccc(=O)o2",null,"COc1c2occc2cc2ccc(=O)oc12","COc1c2c(cc3c1occ3)ccc(=O)o2"]
[1696,"299-39-8","C1CCN2CC3CC(CN4CCCCC34)C2C1","C1CC2N(CC1)CC3C4N(CC2C3)CCCC4","OS(O)(=O)=O(1)","C1CCN2CC3CC(CN4CCCCC34)C2C1","C1CC2N(CC1)CC3C4N(CC2C3)CCCC4","OS(O)(=O)=O(1)"]
[1697,"299-42-3",{"$nulls":3},"CNC(C)C(O)c1ccccc1","CNC(C)C(O)c1ccccc1",null,"CNC(C)C(O)c1ccccc1","CNC(C)C(O)c1ccccc1",null,"CNC(C)C(O)c1ccccc1","CNC(C)C(O)c1ccccc1"]
[1698,"299-84-3","COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Cl)Cl",null,"COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Cl)Cl",null,"COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Cl)Cl",null,"COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Cl)Cl"]
[1699,"299-85-4","CC(=O)OC1(C(C)=O)CCC2C3CC(C)C4=CC(=O)CCC4(C)C3CCC21C","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(C3)C)=CC(=O)CC4)C)CC2)C)C(C)=O",null,"COP(=S)(NC(C)C)Oc1ccc(Cl)cc1Cl","COP(=S)(NC(C)C)Oc1c(cc(cc1)Cl)Cl",null,"COP(=S)(NC(C)C)Oc1ccc(Cl)cc1Cl","COP(=S)(NC(C)C)Oc1c(cc(cc1)Cl)Cl",null,"COP(=S)(NC(C)C)Oc1ccc(Cl)cc1Cl","COP(=S)(NC(C)C)Oc1c(cc(cc1)Cl)Cl"]
[1700,"299-86-5","CNP(=O)(OC)Oc1ccc(C(C)(C)C)cc1Cl","CNP(=O)(OC)Oc1c(cc(cc1)C(C)(C)C)Cl",null,"CNP(=O)(OC)Oc1ccc(C(C)(C)C)cc1Cl","CNP(=O)(OC)Oc1c(cc(cc1)C(C)(C)C)Cl",null,"CNP(=O)(OC)Oc1ccc(C(C)(C)C)cc1Cl","CNP(=O)(OC)Oc1c(cc(cc1)C(C)(C)C)Cl",null,"CNP(=O)(OC)Oc1ccc(C(C)(C)C)cc1Cl","CNP(=O)(OC)Oc1c(cc(cc1)C(C)(C)C)Cl"]
[1701,"300-37-8","O=C([O-])Cn1cc(I)c(=O)c(I)c1","O=C(O)Cn1cc(c(c(c1)I)=O)I","OCC[NH2+]CCO(1)","O=C([O-])Cn1cc(I)c(=O)c(I)c1","O=C(O)Cn1cc(c(c(c1)I)=O)I","OCC[NH2+]CCO(1)","O=C(O)Cn1cc(I)c(=O)c(I)c1","O=C(O)Cn1cc(c(c(c1)I)=O)I","OCCNCCO(1)","O=C(O)Cn1cc(I)c(=O)c(I)c1","O=C(O)Cn1cc(c(c(c1)I)=O)I","OCCNCCO(1)",null,"Organic counterion"]
[1702,"300-38-9","NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)O","NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O",null,"NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)O","NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O"]
[1703,"300-39-0","NC(Cc1cc(I)c(O)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O",null,"NC(Cc1cc(I)c(O)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O",null,"NC(Cc1cc(I)c(O)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O",null,"NC(Cc1cc(I)c(O)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O"]
[1704,"300-76-5","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br",null,"COP(=O)(OC)OC(Br)C(Cl)(Cl)Br","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br",null,"COP(=O)(OC)OC(Br)C(Cl)(Cl)Br","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br",null,"COP(=O)(OC)OC(Br)C(Cl)(Cl)Br","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br"]
[1705,"301-12-2","CCS(=O)CCSP(=O)(OC)OC","CCS(=O)CCSP(=O)(OC)OC",null,"CCS(=O)CCSP(=O)(OC)OC","CCS(=O)CCSP(=O)(OC)OC",null,"CCS(=O)CCSP(=O)(OC)OC","CCS(=O)CCSP(=O)(OC)OC",null,"CCS(=O)CCSP(=O)(OC)OC","CCS(=O)CCSP(=O)(OC)OC"]
[1706,"302-01-2","NN","NN",null,"NN","NN",null,"NN","NN",null,"NN","NN"]
[1707,"302-17-0",{"$nulls":3},"OC(O)C(Cl)(Cl)Cl","OC(O)C(Cl)(Cl)Cl",null,"OC(O)C(Cl)(Cl)Cl","OC(O)C(Cl)(Cl)Cl",null,"OC(O)C(Cl)(Cl)Cl","OC(O)C(Cl)(Cl)Cl"]
[1708,"302-27-2","CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14","CCN1C2C34C(CC(C(C1)(C3C(C2C5(C(C(C6(CC4C5C6OC(=O)c7ccccc7)O)OC)O)OC(C)=O)OC)COC)O)OC",null,"CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14","CCN1C2C34C(CC(C(C1)(C3C(C2C5(C(C(C6(CC4C5C6OC(=O)c7ccccc7)O)OC)O)OC(C)=O)OC)COC)O)OC",null,"CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14","CCN1C2C34C(CC(C(C1)(C3C(C2C5(C(C(C6(CC4C5C6OC(=O)c7ccccc7)O)OC)O)OC(C)=O)OC)COC)O)OC",null,"CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14","CCN1C2C34C(CC(C(C1)(C3C(C2C5(C(C(C6(CC4C5C6OC(=O)c7ccccc7)O)OC)O)OC(C)=O)OC)COC)O)OC"]
[1709,"302-66-9","C#CC(C)(CC)OC(N)=O","C#CC(C)(CC)OC(N)=O",null,"C#CC(C)(CC)OC(N)=O","C#CC(C)(CC)OC(N)=O"]
[1710,"302-72-7","CC(N)C(=O)O","CC(N)C(=O)O",null,"CC(N)C(=O)O","CC(N)C(=O)O",null,"CC(N)C(=O)O","CC(N)C(=O)O",null,"CC(N)C(=O)O","CC(N)C(=O)O"]
[1711,"302-84-1","NC(CO)C(=O)O","NC(CO)C(=O)O",null,"NC(CO)C(=O)O","NC(CO)C(=O)O",null,"NC(CO)C(=O)O","NC(CO)C(=O)O",null,"NC(CO)C(=O)O","NC(CO)C(=O)O"]
[1712,"303-07-1","O=C(O)c1c(O)cccc1O","O=C(O)c1c(cccc1O)O",null,"O=C(O)c1c(O)cccc1O","O=C(O)c1c(cccc1O)O",null,"O=C(O)c1c(O)cccc1O","O=C(O)c1c(cccc1O)O",null,"O=C(O)c1c(O)cccc1O","O=C(O)c1c(cccc1O)O"]
[1713,"304-59-6","O=C([O-])C(O)C(O)C(=O)[O-]","O=C(O)C(O)C(O)C(=O)O","[K+](2)","O=C([O-])C(O)C(O)C(=O)[O-]","O=C(O)C(O)C(O)C(=O)O","[K+](2)","O=C([O-])C(O)C(O)C(=O)[O-]","O=C(O)C(O)C(O)C(=O)O","[K+](2)","O=C([O-])C(O)C(O)C(=O)[O-]","O=C(O)C(O)C(O)C(=O)O","[K+](2)"]
[1714,"306-23-0",{"$nulls":3},"O=C(O)C(O)Cc1ccc(O)cc1","O=C(O)C(O)Cc1ccc(cc1)O"]
[1715,"306-83-2","FC(F)(F)C(Cl)Cl","FC(F)(F)C(Cl)Cl",null,"FC(F)(F)C(Cl)Cl","FC(F)(F)C(Cl)Cl",null,"FC(F)(F)C(Cl)Cl","FC(F)(F)C(Cl)Cl",null,"FC(F)(F)C(Cl)Cl","FC(F)(F)C(Cl)Cl"]
[1716,"309-00-2","ClC1=C(Cl)C2(Cl)C3C4C=CC(C4)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4CC3C=C4)Cl",null,"ClC1=C(Cl)C2(Cl)C3C4C=CC(C4)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4CC3C=C4)Cl",null,"ClC1=C(Cl)C2(Cl)C3C4C=CC(C4)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4CC3C=C4)Cl",null,"ClC1=C(Cl)C2(Cl)C3C4C=CC(C4)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4CC3C=C4)Cl"]
[1717,"311-45-5","CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1","CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]",null,"CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1","CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]",null,"CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1","CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]",null,"CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1","CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]"]
[1718,"311-47-7","CCOP(=O)(OC=CCl)OCC","CCOP(=O)(OC=CCl)OCC",null,"CCOP(=O)(OC=CCl)OCC","CCOP(=O)(OC=CCl)OCC",null,"CCOP(=O)(OC=CCl)OCC","CCOP(=O)(OC=CCl)OCC",null,"CCOP(=O)(OC=CCl)OCC","CCOP(=O)(OC=CCl)OCC"]
[1719,"312-84-5","NC(CO)C(=O)O","NC(CO)C(=O)O",null,"NC(CO)C(=O)O","NC(CO)C(=O)O",null,"NC(CO)C(=O)O","NC(CO)C(=O)O",null,"NC(CO)C(=O)O","NC(CO)C(=O)O"]
[1720,"314-40-9","CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O","CCC(C)n1c(c(c([nH]c1=O)C)Br)=O",null,"CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O","CCC(C)n1c(c(c([nH]c1=O)C)Br)=O",null,"CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O","CCC(C)n1c(c(c([nH]c1=O)C)Br)=O",null,"CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O","CCC(C)n1c(c(c([nH]c1=O)C)Br)=O"]
[1721,"314-42-1","Cc1[nH]c(=O)n(C(C)C)c(=O)c1Br","Cc1c(c(n(c([nH]1)=O)C(C)C)=O)Br",null,"Cc1[nH]c(=O)n(C(C)C)c(=O)c1Br","Cc1c(c(n(c([nH]1)=O)C(C)C)=O)Br",null,"Cc1[nH]c(=O)n(C(C)C)c(=O)c1Br","Cc1c(c(n(c([nH]1)=O)C(C)C)=O)Br",null,"Cc1[nH]c(=O)n(C(C)C)c(=O)c1Br","Cc1c(c(n(c([nH]1)=O)C(C)C)=O)Br"]
[1722,"315-18-4","CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1","CNC(=O)Oc1cc(c(c(c1)C)N(C)C)C",null,"CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1","CNC(=O)Oc1cc(c(c(c1)C)N(C)C)C",null,"CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1","CNC(=O)Oc1cc(c(c(c1)C)N(C)C)C",null,"CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1","CNC(=O)Oc1cc(c(c(c1)C)N(C)C)C"]
[1723,"315-30-0","O=c1ncnc2[nH][nH]cc1-2","O=c1c2-c(ncn1)[nH][nH]c2",null,"O=c1ncnc2[nH][nH]cc1-2","O=c1c2-c(ncn1)[nH][nH]c2",null,"Oc1ncnc2[nH]ncc12","Oc1c2c(ncn1)[nH]nc2",null,"Oc1ncnc2[nH]ncc12","Oc1c2c(ncn1)[nH]nc2"]
[1724,"319-78-8","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",null,"CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",null,"CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",null,"CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O"]
[1725,"319-84-6","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",null,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",null,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",null,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl"]
[1726,"319-85-7","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",null,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",null,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",null,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl"]
[1727,"319-86-8","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",null,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",null,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",null,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl"]
[1728,"321-14-2","O=C(O)c1cc(Cl)ccc1O","O=C(O)c1c(ccc(c1)Cl)O",null,"O=C(O)c1cc(Cl)ccc1O","O=C(O)c1c(ccc(c1)Cl)O",null,"O=C(O)c1cc(Cl)ccc1O","O=C(O)c1c(ccc(c1)Cl)O",null,"O=C(O)c1cc(Cl)ccc1O","O=C(O)c1c(ccc(c1)Cl)O"]
[1729,"321-38-0","Fc1cccc2ccccc12","Fc1c2c(ccc1)cccc2",null,"Fc1cccc2ccccc12","Fc1c2c(ccc1)cccc2",null,"Fc1cccc2ccccc12","Fc1c2c(ccc1)cccc2",null,"Fc1cccc2ccccc12","Fc1c2c(ccc1)cccc2"]
[1730,"326-65-8","CC(=O)Nc1ccc(F)cc1C","CC(=O)Nc1c(cc(cc1)F)C",{"$nulls":4},"CC(=O)Nc1ccc(F)cc1C","CC(=O)Nc1c(cc(cc1)F)C",null,"CC(=O)Nc1ccc(F)cc1C","CC(=O)Nc1c(cc(cc1)F)C"]
[1731,"326-67-0","CC(=O)Nc1ccc(C)cc1F","CC(=O)Nc1c(cc(cc1)C)F",{"$nulls":4},"CC(=O)Nc1ccc(C)cc1F","CC(=O)Nc1c(cc(cc1)C)F",null,"CC(=O)Nc1ccc(C)cc1F","CC(=O)Nc1c(cc(cc1)C)F"]
[1732,"327-54-8","Fc1cc(F)c(F)cc1F","Fc1c(cc(c(c1)F)F)F",null,"Fc1cc(F)c(F)cc1F","Fc1c(cc(c(c1)F)F)F",null,"Fc1cc(F)c(F)cc1F","Fc1c(cc(c(c1)F)F)F",null,"Fc1cc(F)c(F)cc1F","Fc1c(cc(c(c1)F)F)F"]
[1733,"327-57-1",{"$nulls":3},"CCCCC(N)C(=O)O","CCCCC(N)C(=O)O",{"$nulls":4},"CCCCC(N)C(=O)O","CCCCC(N)C(=O)O"]
[1734,"327-97-9","O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O","O=C(C=Cc1cc(c(cc1)O)O)OC2C(C(CC(C2)(O)C(=O)O)O)O",null,"O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O","O=C(C=Cc1cc(c(cc1)O)O)OC2C(C(CC(C2)(O)C(=O)O)O)O",null,"O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O","O=C(C=Cc1cc(c(cc1)O)O)OC2C(C(CC(C2)(O)C(=O)O)O)O",null,"O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O","O=C(C=Cc1cc(c(cc1)O)O)OC2C(C(CC(C2)(O)C(=O)O)O)O"]
[1735,"327-98-0","CCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl","CCOP(=S)(CC)Oc1c(cc(c(c1)Cl)Cl)Cl",null,"CCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl","CCOP(=S)(CC)Oc1c(cc(c(c1)Cl)Cl)Cl",null,"CCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl","CCOP(=S)(CC)Oc1c(cc(c(c1)Cl)Cl)Cl",null,"CCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl","CCOP(=S)(CC)Oc1c(cc(c(c1)Cl)Cl)Cl"]
[1736,"328-39-2","CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O",null,"CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O",null,"CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O"]
[1737,"329-71-5","O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1","O=[N+]([O-])c1cc(c(cc1)[N+](=O)[O-])O",null,"O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1","O=[N+]([O-])c1cc(c(cc1)[N+](=O)[O-])O",null,"O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1","O=[N+]([O-])c1cc(c(cc1)[N+](=O)[O-])O",null,"O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1","O=[N+]([O-])c1cc(c(cc1)[N+](=O)[O-])O"]
[1738,"329-99-7","CP(=O)(F)OC1CCCCC1","CP(=O)(F)OC1CCCCC1",null,"CP(=O)(F)OC1CCCCC1","CP(=O)(F)OC1CCCCC1",null,"CP(=O)(F)OC1CCCCC1","CP(=O)(F)OC1CCCCC1",null,"CP(=O)(F)OC1CCCCC1","CP(=O)(F)OC1CCCCC1"]
[1739,"330-54-1","CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CN(C)C(=O)Nc1cc(c(cc1)Cl)Cl",null,"CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CN(C)C(=O)Nc1cc(c(cc1)Cl)Cl",null,"CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CN(C)C(=O)Nc1cc(c(cc1)Cl)Cl",null,"CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CN(C)C(=O)Nc1cc(c(cc1)Cl)Cl"]
[1740,"330-55-2","CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CON(C)C(=O)Nc1cc(c(cc1)Cl)Cl",null,"CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CON(C)C(=O)Nc1cc(c(cc1)Cl)Cl",null,"CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CON(C)C(=O)Nc1cc(c(cc1)Cl)Cl",null,"CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CON(C)C(=O)Nc1cc(c(cc1)Cl)Cl"]
[1741,"333-41-5","CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1","CCOP(=S)(OCC)Oc1nc(nc(c1)C)C(C)C",null,"CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1","CCOP(=S)(OCC)Oc1nc(nc(c1)C)C(C)C",null,"CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1","CCOP(=S)(OCC)Oc1nc(nc(c1)C)C(C)C"]
[1742,"334-48-5","CCCCCCCCCC(=O)O","CCCCCCCCCC(=O)O",null,"CCCCCCCCCC(=O)O","CCCCCCCCCC(=O)O",null,"CCCCCCCCCC(=O)O","CCCCCCCCCC(=O)O",null,"CCCCCCCCCC(=O)O","CCCCCCCCCC(=O)O"]
[1743,"338-69-2","CC(N)C(=O)O","CC(N)C(=O)O",null,"CC(N)C(=O)O","CC(N)C(=O)O",null,"CC(N)C(=O)O","CC(N)C(=O)O",null,"CC(N)C(=O)O","CC(N)C(=O)O"]
[1744,"339-43-5","CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N",null,"CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N",null,"CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N",null,"CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N"]
[1745,"345-35-7","Fc1ccccc1CCl","Fc1c(cccc1)CCl",null,"Fc1ccccc1CCl","Fc1c(cccc1)CCl",null,"Fc1ccccc1CCl","Fc1c(cccc1)CCl",null,"Fc1ccccc1CCl","Fc1c(cccc1)CCl"]
[1746,"348-51-6","Fc1ccccc1Cl","Fc1c(cccc1)Cl",null,"Fc1ccccc1Cl","Fc1c(cccc1)Cl",null,"Fc1ccccc1Cl","Fc1c(cccc1)Cl",null,"Fc1ccccc1Cl","Fc1c(cccc1)Cl"]
[1747,"352-11-4","Fc1ccc(CCl)cc1","Fc1ccc(cc1)CCl",null,"Fc1ccc(CCl)cc1","Fc1ccc(cc1)CCl",{"$nulls":4},"Fc1ccc(CCl)cc1","Fc1ccc(cc1)CCl"]
[1748,"352-34-1","Fc1ccc(I)cc1","Fc1ccc(cc1)I",null,"Fc1ccc(I)cc1","Fc1ccc(cc1)I",null,"Fc1ccc(I)cc1","Fc1ccc(cc1)I",null,"Fc1ccc(I)cc1","Fc1ccc(cc1)I"]
[1749,"352-93-2","CCSCC","CCSCC",null,"CCSCC","CCSCC",null,"CCSCC","CCSCC",null,"CCSCC","CCSCC"]
[1750,"352-97-6","N=C(N)NCC(=O)O","N=C(N)NCC(=O)O"]
[1751,"353-36-6","CCF","CCF",null,"CCF","CCF",null,"CCF","CCF",null,"CCF","CCF"]
[1752,"357-57-3","COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43","COc1c(cc2c(c1)N3C(CC4OCC=C5CN6CCC27C3C4C5CC76)=O)OC",null,"COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43","COc1c(cc2c(c1)N3C(CC4OCC=C5CN6CCC27C3C4C5CC76)=O)OC",null,"COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43","COc1c(cc2c(c1)N3C(CC4OCC=C5CN6CCC27C3C4C5CC76)=O)OC",null,"COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43","COc1c(cc2c(c1)N3C(CC4OCC=C5CN6CCC27C3C4C5CC76)=O)OC"]
[1753,"360-65-6","CC(CCCNCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCCNCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C",null,"CC(CCCNCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCCNCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C"]
[1754,"363-67-7"]
[1755,"364-62-5","CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC","CCN(CC)CCNC(=O)c1c(cc(c(c1)Cl)N)OC",null,"CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC","CCN(CC)CCNC(=O)c1c(cc(c(c1)Cl)N)OC","[Cl-](1), [H+](1)","CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC","CCN(CC)CCNC(=O)c1c(cc(c(c1)Cl)N)OC",null,"CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC","CCN(CC)CCNC(=O)c1c(cc(c(c1)Cl)N)OC"]
[1756,"366-18-7","c1ccc(-c2ccccn2)nc1","c1cnc(cc1)-c2ncccc2",null,"c1ccc(-c2ccccn2)nc1","c1cnc(cc1)-c2ncccc2",null,"c1ccc(-c2ccccn2)nc1","c1cnc(cc1)-c2ncccc2",null,"c1ccc(-c2ccccn2)nc1","c1cnc(cc1)-c2ncccc2"]
[1757,"367-11-3","Fc1ccccc1F","Fc1c(cccc1)F",null,"Fc1ccccc1F","Fc1c(cccc1)F",null,"Fc1ccccc1F","Fc1c(cccc1)F",null,"Fc1ccccc1F","Fc1c(cccc1)F"]
[1758,"368-16-1","Cn1cncc1CC(N)C(=O)O","Cn1c(cnc1)CC(N)C(=O)O",null,"Cn1cncc1CC(N)C(=O)O","Cn1c(cnc1)CC(N)C(=O)O"]
[1759,"369-58-4","F[P-](F)(F)(F)(F)F","F[P-](F)(F)(F)(F)F","N#[N+]c1ccccc1(1)","F[P-](F)(F)(F)(F)F","F[P-](F)(F)(F)(F)F","N#[N+]c1ccccc1(1)",{"$nulls":3},"F[P-](F)(F)(F)(F)F","F[P-](F)(F)(F)(F)F","N#[N+]c1ccccc1(1)"]
[1760,"371-62-0","OCCF","OCCF",null,"OCCF","OCCF",null,"OCCF","OCCF",null,"OCCF","OCCF"]
[1761,"371-86-8","CC(C)NP(=O)(F)NC(C)C","CC(C)NP(=O)(F)NC(C)C",null,"CC(C)NP(=O)(F)NC(C)C","CC(C)NP(=O)(F)NC(C)C",null,"CC(C)NP(=O)(F)NC(C)C","CC(C)NP(=O)(F)NC(C)C",null,"CC(C)NP(=O)(F)NC(C)C","CC(C)NP(=O)(F)NC(C)C"]
[1762,"372-18-9","Fc1cccc(F)c1","Fc1cc(ccc1)F",null,"Fc1cccc(F)c1","Fc1cc(ccc1)F",null,"Fc1cccc(F)c1","Fc1cc(ccc1)F",null,"Fc1cccc(F)c1","Fc1cc(ccc1)F"]
[1763,"372-31-6",{"$nulls":3},"CCOC(=O)CC(=O)C(F)(F)F","CCOC(=O)CC(=O)C(F)(F)F",null,"CCOC(=O)CC(=O)C(F)(F)F","CCOC(=O)CC(=O)C(F)(F)F",null,"CCOC(=O)CC(=O)C(F)(F)F","CCOC(=O)CC(=O)C(F)(F)F"]
[1764,"374-01-6","CC(O)C(F)(F)F","CC(O)C(F)(F)F",null,"CC(O)C(F)(F)F","CC(O)C(F)(F)F",null,"CC(O)C(F)(F)F","CC(O)C(F)(F)F",null,"CC(O)C(F)(F)F","CC(O)C(F)(F)F"]
[1765,"374-07-2","FC(F)(F)C(F)(Cl)Cl","FC(F)(F)C(F)(Cl)Cl",null,"FC(F)(F)C(F)(Cl)Cl","FC(F)(F)C(F)(Cl)Cl",null,"FC(F)(F)C(F)(Cl)Cl","FC(F)(F)C(F)(Cl)Cl",null,"FC(F)(F)C(F)(Cl)Cl","FC(F)(F)C(F)(Cl)Cl"]
[1766,"378-44-9","CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",null,"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",null,"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",null,"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO"]
[1767,"379-34-0","CCC1(c2ccc(O)cc2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)c2ccc(cc2)O",null,"CCC1(c2ccc(O)cc2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)c2ccc(cc2)O",{"$nulls":4},"CCC1(c2ccc(O)cc2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)c2ccc(cc2)O"]
[1768,"379-52-2","c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1","c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1","[F-](1)",{"$nulls":3},"F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1","F[Sn](c1ccccc1)(c2ccccc2)c3ccccc3",null,"F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1","F[Sn](c1ccccc1)(c2ccccc2)c3ccccc3"]
[1769,"381-73-7","O=C(O)C(F)F","O=C(O)C(F)F",null,"O=C(O)C(F)F","O=C(O)C(F)F",null,"O=C(O)C(F)F","O=C(O)C(F)F",null,"O=C(O)C(F)F","O=C(O)C(F)F"]
[1770,"382-45-6",{"$nulls":3},"CC12CC(=O)C3C(CCC4=CC(=O)CCC43C)C1CCC2=O","CC12C(C3C(C(C1)=O)C4(C(CC3)=CC(=O)CC4)C)CCC2=O"]
[1771,"389-08-2","CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21","CCn1c2c(c(c(c1)C(=O)O)=O)ccc(C)n2",null,"CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21","CCn1c2c(c(c(c1)C(=O)O)=O)ccc(C)n2",null,"CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21","CCn1c2c(c(c(c1)C(=O)O)=O)ccc(C)n2",null,"CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21","CCn1c2c(c(c(c1)C(=O)O)=O)ccc(C)n2"]
[1772,"398-88-9","CCCc1cc(F)ccc1O","CCCc1c(ccc(c1)F)O",{"$nulls":4},"CCCc1cc(F)ccc1O","CCCc1c(ccc(c1)F)O",null,"CCCc1cc(F)ccc1O","CCCc1c(ccc(c1)F)O"]
[1773,"405-22-1","NC(=O)N(CCO)N=Cc1ccc([N+](=O)[O-])o1","NC(=O)N(CCO)N=Cc1oc(cc1)[N+](=O)[O-]",null,"NC(=O)N(CCO)N=Cc1ccc([N+](=O)[O-])o1","NC(=O)N(CCO)N=Cc1oc(cc1)[N+](=O)[O-]"]
[1774,"406-90-6","C=COCC(F)(F)F","C=COCC(F)(F)F",null,"C=COCC(F)(F)F","C=COCC(F)(F)F",null,"C=COCC(F)(F)F","C=COCC(F)(F)F",null,"C=COCC(F)(F)F","C=COCC(F)(F)F"]
[1775,"420-04-2","N#CN","N#CN",null,"N#CN","N#CN",null,"N#CN","N#CN",null,"N#CN","N#CN"]
[1776,"426-13-1","CC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(C3)C)=CC(=O)C=C4)C)(F)C(O)C2)C)O",null,"CC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(C3)C)=CC(=O)C=C4)C)(F)C(O)C2)C)O",null,"CC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(C3)C)=CC(=O)C=C4)C)(F)C(O)C2)C)O",null,"CC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(C3)C)=CC(=O)C=C4)C)(F)C(O)C2)C)O"]
[1777,"431-03-8","CC(=O)C(C)=O","CC(=O)C(C)=O",null,"CC(=O)C(C)=O","CC(=O)C(C)=O",null,"CC(=O)C(C)=O","CC(=O)C(C)=O",null,"CC(=O)C(C)=O","CC(=O)C(C)=O"]
[1778,"433-97-6","O=C(O)c1ccccc1C(F)(F)F","O=C(O)c1c(cccc1)C(F)(F)F",null,"O=C(O)c1ccccc1C(F)(F)F","O=C(O)c1c(cccc1)C(F)(F)F"]
[1779,"434-03-7","C#CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C","C#CC1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O",null,"C#CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C","C#CC1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O",null,"C#CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C","C#CC1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O",null,"C#CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C","C#CC1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O"]
[1780,"434-13-9","CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2)C",null,"CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2)C",null,"CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2)C",null,"CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2)C"]
[1781,"434-22-0","CC12CCC3C4CCC(=O)C=C4CCC3C1CCC2O","CC12C(C3C(CC1)C4C(=CC(CC4)=O)CC3)CCC2O",null,"CC12CCC3C4CCC(=O)C=C4CCC3C1CCC2O","CC12C(C3C(CC1)C4C(=CC(CC4)=O)CC3)CCC2O",null,"CC12CCC3C4CCC(=O)C=C4CCC3C1CCC2O","CC12C(C3C(CC1)C4C(=CC(CC4)=O)CC3)CCC2O",null,"CC12CCC3C4CCC(=O)C=C4CCC3C1CCC2O","CC12C(C3C(CC1)C4C(=CC(CC4)=O)CC3)CCC2O"]
[1782,"436-45-3",{"$nulls":3},"CC1=C2C(O)C3C(CC(C)C2CC1=O)OC(=O)C3C","CC=1C(CC2C1C(O)C3C(C(OC3CC2C)=O)C)=O"]
[1783,"437-38-7","CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1","CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3",null,"CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1","CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3",null,"CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1","CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3",null,"CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1","CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3"]
[1784,"437-50-3","COc1cc(O)c2c(=O)c3cc(O)ccc3oc2c1","COc1cc2c(c(c1)O)c(=O)c3c(ccc(c3)O)o2",null,"COc1cc(O)c2c(=O)c3cc(O)ccc3oc2c1","COc1cc2c(c(c1)O)c(=O)c3c(ccc(c3)O)o2",null,"COc1cc(O)c2c(=O)c3cc(O)ccc3oc2c1","COc1cc2c(c(c1)O)c(=O)c3c(ccc(c3)O)o2",null,"COc1cc(O)c2c(=O)c3cc(O)ccc3oc2c1","COc1cc2c(c(c1)O)c(=O)c3c(ccc(c3)O)o2"]
[1785,"439-14-5","CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21","CN1c2c(C(=NCC1=O)c3ccccc3)cc(Cl)cc2",null,"CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21","CN1c2c(C(=NCC1=O)c3ccccc3)cc(Cl)cc2",null,"CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21","CN1c2c(C(=NCC1=O)c3ccccc3)cc(Cl)cc2",null,"CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21","CN1c2c(C(=NCC1=O)c3ccccc3)cc(Cl)cc2"]
[1786,"440-58-4","CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I","CC(=O)NCc1c(c(c(c(c1I)NC(C)=O)I)C(=O)O)I",null,"CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I","CC(=O)NCc1c(c(c(c(c1I)NC(C)=O)I)C(=O)O)I",null,"CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I","CC(=O)NCc1c(c(c(c(c1I)NC(C)=O)I)C(=O)O)I",null,"CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I","CC(=O)NCc1c(c(c(c(c1I)NC(C)=O)I)C(=O)O)I"]
[1787,"442-16-0","CCOc1ccc2nc3cc(N)ccc3c(N)c2c1","CCOc1cc2c(cc1)nc3c(ccc(c3)N)c2N","O(1)","CCOc1ccc2nc3cc(N)ccc3c(N)c2c1","CCOc1cc2c(cc1)nc3c(ccc(c3)N)c2N","CC(O)C(O)=O(1), O(1)",{"$nulls":3},"CCOc1ccc2nc3cc(N)ccc3c(N)c2c1","CCOc1cc2c(cc1)nc3c(ccc(c3)N)c2N"]
[1788,"443-48-1","Cc1ncc([N+](=O)[O-])n1CCO","Cc1n(c(cn1)[N+](=O)[O-])CCO",null,"Cc1ncc([N+](=O)[O-])n1CCO","Cc1n(c(cn1)[N+](=O)[O-])CCO",null,"Cc1ncc([N+](=O)[O-])n1CCO","Cc1n(c(cn1)[N+](=O)[O-])CCO",null,"Cc1ncc([N+](=O)[O-])n1CCO","Cc1n(c(cn1)[N+](=O)[O-])CCO"]
[1789,"443-79-8","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",null,"CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",null,"CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",null,"CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O"]
[1790,"445-29-4","O=C(O)c1ccccc1F","O=C(O)c1c(cccc1)F",null,"O=C(O)c1ccccc1F","O=C(O)c1c(cccc1)F",null,"O=C(O)c1ccccc1F","O=C(O)c1c(cccc1)F",null,"O=C(O)c1ccccc1F","O=C(O)c1c(cccc1)F"]
[1791,"446-36-6","O=[N+]([O-])c1ccc(F)cc1O","O=[N+]([O-])c1c(cc(cc1)F)O",null,"O=[N+]([O-])c1ccc(F)cc1O","O=[N+]([O-])c1c(cc(cc1)F)O",null,"O=[N+]([O-])c1ccc(F)cc1O","O=[N+]([O-])c1c(cc(cc1)F)O",null,"O=[N+]([O-])c1ccc(F)cc1O","O=[N+]([O-])c1c(cc(cc1)F)O"]
[1792,"451-13-8","O=C(O)Cc1cc(O)ccc1O","O=C(O)Cc1c(ccc(c1)O)O",null,"O=C(O)Cc1cc(O)ccc1O","O=C(O)Cc1c(ccc(c1)O)O",null,"O=C(O)Cc1cc(O)ccc1O","O=C(O)Cc1c(ccc(c1)O)O",null,"O=C(O)Cc1cc(O)ccc1O","O=C(O)Cc1c(ccc(c1)O)O"]
[1793,"452-06-2","Nc1nc2ncnc-2c[nH]1","Nc1[nH]cc2-c(n1)ncn2",null,"Nc1ncc2[nH]cnc2n1","Nc1nc2c(cn1)[nH]cn2",null,"Nc1ncc2[nH]cnc2n1","Nc1nc2c(cn1)[nH]cn2",null,"Nc1ncc2[nH]cnc2n1","Nc1nc2c(cn1)[nH]cn2"]
[1794,"452-35-7","CCOc1ccc2nc(S(N)(=O)=O)sc2c1","CCOc1cc2c(cc1)nc(S(N)(=O)=O)s2",null,"CCOc1ccc2nc(S(N)(=O)=O)sc2c1","CCOc1cc2c(cc1)nc(S(N)(=O)=O)s2",null,"CCOc1ccc2nc(S(N)(=O)=O)sc2c1","CCOc1cc2c(cc1)nc(S(N)(=O)=O)s2",null,"CCOc1ccc2nc(S(N)(=O)=O)sc2c1","CCOc1cc2c(cc1)nc(S(N)(=O)=O)s2"]
[1795,"453-20-3","OC1CCOC1","OC1COCC1",null,"OC1CCOC1","OC1COCC1",null,"OC1CCOC1","OC1COCC1",null,"OC1CCOC1","OC1COCC1"]
[1796,"453-71-4","O=C(O)c1ccc(F)c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)F)[N+](=O)[O-]",null,"O=C(O)c1ccc(F)c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)F)[N+](=O)[O-]",null,"O=C(O)c1ccc(F)c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)F)[N+](=O)[O-]",null,"O=C(O)c1ccc(F)c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)F)[N+](=O)[O-]"]
[1797,"455-38-9","O=C(O)c1cccc(F)c1","O=C(O)c1cc(ccc1)F",null,"O=C(O)c1cccc(F)c1","O=C(O)c1cc(ccc1)F",null,"O=C(O)c1cccc(F)c1","O=C(O)c1cc(ccc1)F",null,"O=C(O)c1cccc(F)c1","O=C(O)c1cc(ccc1)F"]
[1798,"456-22-4","O=C(O)c1ccc(F)cc1","O=C(O)c1ccc(cc1)F",null,"O=C(O)c1ccc(F)cc1","O=C(O)c1ccc(cc1)F",null,"O=C(O)c1ccc(F)cc1","O=C(O)c1ccc(cc1)F",null,"O=C(O)c1ccc(F)cc1","O=C(O)c1ccc(cc1)F"]
[1799,"456-42-8","Fc1cccc(CCl)c1","Fc1cc(ccc1)CCl",null,"Fc1cccc(CCl)c1","Fc1cc(ccc1)CCl",null,"Fc1cccc(CCl)c1","Fc1cc(ccc1)CCl",null,"Fc1cccc(CCl)c1","Fc1cc(ccc1)CCl"]
[1800,"458-88-8","CCCC1CCCCN1","CCCC1NCCCC1",null,"CCCC1CCCCN1","CCCC1NCCCC1",null,"CCCC1CCCCN1","CCCC1NCCCC1",null,"CCCC1CCCCN1","CCCC1NCCCC1"]
[1801,"460-12-8","C#CC#C","C#CC#C",null,"C#CC#C","C#CC#C",null,"C#CC#C","C#CC#C",null,"C#CC#C","C#CC#C"]
[1802,"461-57-4","COCC(F)F","COCC(F)F",{"$nulls":4},"COCC(F)F","COCC(F)F",null,"COCC(F)F","COCC(F)F"]
[1803,"461-58-5","N#CN=C(N)N","N#CN=C(N)N",null,"N#CN=C(N)N","N#CN=C(N)N",null,"N#CNC(=N)N","N#CNC(=N)N",null,"N#CNC(=N)N","N#CNC(=N)N"]
[1804,"461-72-3","O=C1CNC(=O)N1","O=C1NC(NC1)=O",null,"O=C1CNC(=O)N1","O=C1NC(NC1)=O",null,"O=C1CNC(=O)N1","O=C1NC(NC1)=O",null,"O=C1CNC(=O)N1","O=C1NC(NC1)=O"]
[1805,"461-98-3","Cc1cc(N)nc(C)n1","Cc1nc(nc(c1)N)C",null,"Cc1cc(N)nc(C)n1","Cc1nc(nc(c1)N)C",{"$nulls":4},"Cc1cc(N)nc(C)n1","Cc1nc(nc(c1)N)C"]
[1806,"462-02-2","N=c1oc(=N)oc(=N)o1","N=c1oc(oc(o1)=N)=N"]
[1807,"462-06-6","Fc1ccccc1","Fc1ccccc1",null,"Fc1ccccc1","Fc1ccccc1",null,"Fc1ccccc1","Fc1ccccc1",null,"Fc1ccccc1","Fc1ccccc1"]
[1808,"462-08-8","Nc1cccnc1","Nc1cnccc1",null,"Nc1cccnc1","Nc1cnccc1",null,"Nc1cccnc1","Nc1cnccc1",null,"Nc1cccnc1","Nc1cnccc1"]
[1809,"462-60-2","NC(=O)NCC(=O)O","NC(=O)NCC(=O)O",null,"NC(=O)NCC(=O)O","NC(=O)NCC(=O)O",{"$nulls":4},"NC(=O)NCC(=O)O","NC(=O)NCC(=O)O"]
[1810,"462-88-4","NC(=O)NCCC(=O)O","NC(=O)NCCC(=O)O",null,"NC(=O)NCCC(=O)O","NC(=O)NCCC(=O)O",{"$nulls":4},"NC(=O)NCCC(=O)O","NC(=O)NCCC(=O)O"]
[1811,"462-95-3","CCOCOCC","CCOCOCC",null,"CCOCOCC","CCOCOCC",null,"CCOCOCC","CCOCOCC",null,"CCOCOCC","CCOCOCC"]
[1812,"463-82-1","CC(C)(C)C","CC(C)(C)C",null,"CC(C)(C)C","CC(C)(C)C",null,"CC(C)(C)C","CC(C)(C)C",null,"CC(C)(C)C","CC(C)(C)C"]
[1813,"464-07-3","CC(O)C(C)(C)C","CC(O)C(C)(C)C",null,"CC(O)C(C)(C)C","CC(O)C(C)(C)C",null,"CC(O)C(C)(C)C","CC(O)C(C)(C)C",null,"CC(O)C(C)(C)C","CC(O)C(C)(C)C"]
[1814,"464-43-7","CC1(C)C2CCC1(C)C(O)C2","CC1(C2(CCC1CC2O)C)C",null,"CC1(C)C2CCC1(C)C(O)C2","CC1(C2(CCC1CC2O)C)C",null,"CC1(C)C2CCC1(C)C(O)C2","CC1(C2(CCC1CC2O)C)C",null,"CC1(C)C2CCC1(C)C(O)C2","CC1(C2(CCC1CC2O)C)C"]
[1815,"464-49-3","CC12CCC(CC1=O)C2(C)C","CC12C(CC(CC1)C2(C)C)=O",null,"CC12CCC(CC1=O)C2(C)C","CC12C(CC(CC1)C2(C)C)=O",null,"CC12CCC(CC1=O)C2(C)C","CC12C(CC(CC1)C2(C)C)=O",null,"CC12CCC(CC1=O)C2(C)C","CC12C(CC(CC1)C2(C)C)=O"]
[1816,"464-85-7","C=CC1CN2CCC1CC2C12Nc3ccccc3C1(O)CCO2","C=CC1C2CCN(C1)C(C2)C34C(c5c(N3)cccc5)(O)CCO4",null,"C=CC1CN2CCC1CC2C12Nc3ccccc3C1(O)CCO2","C=CC1C2CCN(C1)C(C2)C34C(c5c(N3)cccc5)(O)CCO4",null,"C=CC1CN2CCC1CC2C12Nc3ccccc3C1(O)CCO2","C=CC1C2CCN(C1)C(C2)C34C(c5c(N3)cccc5)(O)CCO4",null,"C=CC1CN2CCC1CC2C12Nc3ccccc3C1(O)CCO2","C=CC1C2CCN(C1)C(C2)C34C(c5c(N3)cccc5)(O)CCO4"]
[1817,"464-88-0"]
[1818,"465-29-2","CC12CCC(C(=O)C1=O)C2(C)C","CC12C(C(C(CC1)C2(C)C)=O)=O",null,"CC12CCC(C(=O)C1=O)C2(C)C","CC12C(C(C(CC1)C2(C)C)=O)=O",null,"CC12CCC(C(=O)C1=O)C2(C)C","CC12C(C(C(CC1)C2(C)C)=O)=O",null,"CC12CCC(C(=O)C1=O)C2(C)C","CC12C(C(C(CC1)C2(C)C)=O)=O"]
[1819,"466-49-9","CCC12CCCN3CCC4(c5cccc(OC)c5N(C(C)=O)C4CC1)C32","CCC12CCC3C4(CCN(CCC1)C24)c5c(c(ccc5)OC)N3C(C)=O",null,"CCC12CCCN3CCC4(c5cccc(OC)c5N(C(C)=O)C4CC1)C32","CCC12CCC3C4(CCN(CCC1)C24)c5c(c(ccc5)OC)N3C(C)=O",null,"CCC12CCCN3CCC4(c5cccc(OC)c5N(C(C)=O)C4CC1)C32","CCC12CCC3C4(CCN(CCC1)C24)c5c(c(ccc5)OC)N3C(C)=O",null,"CCC12CCCN3CCC4(c5cccc(OC)c5N(C(C)=O)C4CC1)C32","CCC12CCC3C4(CCN(CCC1)C24)c5c(c(ccc5)OC)N3C(C)=O"]
[1820,"467-69-6","O=C(O)C1(O)c2ccccc2-c2ccccc21","O=C(O)C1(c2c(-c3c1cccc3)cccc2)O",null,"O=C(O)C1(O)c2ccccc2-c2ccccc21","O=C(O)C1(c2c(-c3c1cccc3)cccc2)O",null,"O=C(O)C1(O)c2ccccc2-c2ccccc21","O=C(O)C1(c2c(-c3c1cccc3)cccc2)O",null,"O=C(O)C1(O)c2ccccc2-c2ccccc21","O=C(O)C1(c2c(-c3c1cccc3)cccc2)O"]
[1821,"467-98-1",{"$nulls":6},"COc1ccc2c(c1O)C13CCN(C)C(C2)C1C=CC(=O)C3","COc1c(c2c(cc1)CC3N(CCC24C3C=CC(=O)C4)C)O",null,"COc1ccc2c(c1O)C13CCN(C)C(C2)C1C=CC(=O)C3","COc1c(c2c(cc1)CC3N(CCC24C3C=CC(=O)C4)C)O"]
[1822,"469-62-5","CCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)CN(C)C","CCC(=O)OC(Cc1ccccc1)(c2ccccc2)C(C)CN(C)C",null,"CCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)CN(C)C","CCC(=O)OC(Cc1ccccc1)(c2ccccc2)C(C)CN(C)C",null,"CCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)CN(C)C","CCC(=O)OC(Cc1ccccc1)(c2ccccc2)C(C)CN(C)C",null,"CCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)CN(C)C","CCC(=O)OC(Cc1ccccc1)(c2ccccc2)C(C)CN(C)C"]
[1823,"470-64-4"]
[1824,"470-82-6","CC12CCC(CC1)C(C)(C)O2","CC12CCC(CC1)C(C)(C)O2",null,"CC12CCC(CC1)C(C)(C)O2","CC12CCC(CC1)C(C)(C)O2",null,"CC12CCC(CC1)C(C)(C)O2","CC12CCC(CC1)C(C)(C)O2",null,"CC12CCC(CC1)C(C)(C)O2","CC12CCC(CC1)C(C)(C)O2"]
[1825,"470-90-6","CCOP(=O)(OCC)OC(=CCl)c1ccc(Cl)cc1Cl","CCOP(=O)(OCC)OC(=CCl)c1c(cc(cc1)Cl)Cl",null,"CCOP(=O)(OCC)OC(=CCl)c1ccc(Cl)cc1Cl","CCOP(=O)(OCC)OC(=CCl)c1c(cc(cc1)Cl)Cl",null,"CCOP(=O)(OCC)OC(=CCl)c1ccc(Cl)cc1Cl","CCOP(=O)(OCC)OC(=CCl)c1c(cc(cc1)Cl)Cl",null,"CCOP(=O)(OCC)OC(=CCl)c1ccc(Cl)cc1Cl","CCOP(=O)(OCC)OC(=CCl)c1c(cc(cc1)Cl)Cl"]
[1826,"471-03-4","O=S(=O)(CCCl)CCCl","O=S(=O)(CCCl)CCCl",null,"O=S(=O)(CCCl)CCCl","O=S(=O)(CCCl)CCCl",{"$nulls":4},"O=S(=O)(CCCl)CCCl","O=S(=O)(CCCl)CCCl"]
[1827,"471-29-4","CNC(=N)N","CNC(=N)N",null,"CN=C(N)N","CN=C(N)N",null,"CNC(=N)N","CNC(=N)N",null,"CNC(=N)N","CNC(=N)N"]
[1828,"471-46-5","NC(=O)C(N)=O","NC(=O)C(N)=O",null,"NC(=O)C(N)=O","NC(=O)C(N)=O",null,"NC(=O)C(N)=O","NC(=O)C(N)=O",null,"NC(=O)C(N)=O","NC(=O)C(N)=O"]
[1829,"473-18-7"]
[1830,"473-30-3","Nc1ccc(S(=O)(=O)c2cnc(N)s2)cc1","Nc1ccc(cc1)S(=O)(=O)c2sc(nc2)N",null,"Nc1ccc(S(=O)(=O)c2cnc(N)s2)cc1","Nc1ccc(cc1)S(=O)(=O)c2sc(nc2)N",{"$nulls":4},"Nc1ccc(S(=O)(=O)c2cnc(N)s2)cc1","Nc1ccc(cc1)S(=O)(=O)c2sc(nc2)N"]
[1831,"473-34-7","Cc1ccc(S(=O)(=O)N(Cl)Cl)cc1","Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl",null,"Cc1ccc(S(=O)(=O)N(Cl)Cl)cc1","Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl",null,"Cc1ccc(S(=O)(=O)N(Cl)Cl)cc1","Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl",null,"Cc1ccc(S(=O)(=O)N(Cl)Cl)cc1","Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl"]
[1832,"473-35-8",{"$nulls":3},"CC(C)(C(=O)O)C1CCC(C(=O)O)C1","CC(C)(C(=O)O)C1CC(CC1)C(=O)O"]
[1833,"473-72-3","CC(=O)C1CC(CC(=O)O)C1(C)C","CC(=O)C1C(C(C1)CC(=O)O)(C)C",null,"CC(=O)C1CC(CC(=O)O)C1(C)C","CC(=O)C1C(C(C1)CC(=O)O)(C)C",null,"CC(=O)C1CC(CC(=O)O)C1(C)C","CC(=O)C1C(C(C1)CC(=O)O)(C)C",null,"CC(=O)C1CC(CC(=O)O)C1(C)C","CC(=O)C1C(C(C1)CC(=O)O)(C)C"]
[1834,"473-81-4","O=C(O)C(O)CO","O=C(O)C(O)CO",null,"O=C([O-])C(O)CO","O=C(O)C(O)CO","[K+](1)"]
[1835,"474-25-9","CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",null,"CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",null,"CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",null,"CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C"]
[1836,"474-86-2","CC12CCC3C(=CCc4cc(O)ccc43)C1CCC2=O","CC12C(C=3C(CC1)c4c(CC3)cc(O)cc4)CCC2=O",null,"CC12CCC3C(=CCc4cc(O)ccc43)C1CCC2=O","CC12C(C=3C(CC1)c4c(CC3)cc(O)cc4)CCC2=O",null,"CC12CCC3C(=CCc4cc(O)ccc43)C1CCC2=O","CC12C(C=3C(CC1)c4c(CC3)cc(O)cc4)CCC2=O",null,"CC12CCC3C(=CCc4cc(O)ccc43)C1CCC2=O","CC12C(C=3C(CC1)c4c(CC3)cc(O)cc4)CCC2=O"]
[1837,"475-25-2","O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O","O=C1C(=CC=2C(=C1)CC3(C2c4c(OC3)c(c(cc4)O)O)O)O",null,"O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O","O=C1C(=CC=2C(=C1)CC3(C2c4c(OC3)c(c(cc4)O)O)O)O",null,"O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O","O=C1C(=CC=2C(=C1)CC3(C2c4c(OC3)c(c(cc4)O)O)O)O",null,"O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O","O=C1C(=CC=2C(=C1)CC3(C2c4c(OC3)c(c(cc4)O)O)O)O"]
[1838,"475-31-0","CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C",null,"CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C",null,"CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C",null,"CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C"]
[1839,"477-47-4","COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC","COc1c(c(cc(c1)C2C3C(C(c4c2cc5OCOc5c4)O)COC3=O)OC)OC",null,"COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC","COc1c(c(cc(c1)C2C3C(C(c4c2cc5OCOc5c4)O)COC3=O)OC)OC",null,"COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC","COc1c(c(cc(c1)C2C3C(C(c4c2cc5OCOc5c4)O)COC3=O)OC)OC",null,"COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC","COc1c(c(cc(c1)C2C3C(C(c4c2cc5OCOc5c4)O)COC3=O)OC)OC"]
[1840,"477-73-6","Cc1cc2nc3c(C)c(N)ccc3[n+](-c3ccccc3)c2cc1N","Cc1c(cc2c(c1)nc3c(ccc(c3C)N)[n+]2-c4ccccc4)N","[Cl-](1)","Cc1cc2nc3c(C)c(N)ccc3[n+](-c3ccccc3)c2cc1N","Cc1c(cc2c(c1)nc3c(ccc(c3C)N)[n+]2-c4ccccc4)N","[Cl-](1)","Cc1cc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N","Cc1c(cc2c(c1)nc3c(cc(c(c3)C)N)[n+]2-c4ccccc4)N","[Cl-](1)","Cc1cc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N","Cc1c(cc2c(c1)nc3c(cc(c(c3)C)N)[n+]2-c4ccccc4)N","[Cl-](1)"]
[1841,"479-18-5","Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)CC(O)CO)C)=O",null,"Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)CC(O)CO)C)=O",null,"Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)CC(O)CO)C)=O",null,"Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)CC(O)CO)C)=O"]
[1842,"479-23-2","c1cc2c3c(c4ccc5ccccc5c4cc3c1)CC2","c1cc2c3c(c1)CCc3c4c(c5c(cc4)cccc5)c2",null,"c1cc2c3c(c4ccc5ccccc5c4cc3c1)CC2","c1cc2c3c(c1)CCc3c4c(c5c(cc4)cccc5)c2",null,"c1cc2c3c(c4ccc5ccccc5c4cc3c1)CC2","c1cc2c3c(c1)CCc3c4c(c5c(cc4)cccc5)c2"]
[1843,"479-27-6","Nc1cccc2cccc(N)c12","Nc1c2c(ccc1)cccc2N",null,"Nc1cccc2cccc(N)c12","Nc1c2c(ccc1)cccc2N",null,"Nc1cccc2cccc(N)c12","Nc1c2c(ccc1)cccc2N",null,"Nc1cccc2cccc(N)c12","Nc1c2c(ccc1)cccc2N"]
[1844,"479-45-8","CN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-]","CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"CN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-]","CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"CN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-]","CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"CN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-]","CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"]
[1845,"479-92-5",{"$nulls":3},"Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1C(C)C)=O)-c2ccccc2)C",{"$nulls":4},"Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1C(C)C)=O)-c2ccccc2)C"]
[1846,"479-98-1","OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12","OCC=1C2C(C(C1)O)C=COC2OC3C(C(C(C(O3)CO)O)O)O",null,"OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12","OCC=1C2C(C(C1)O)C=COC2OC3C(C(C(C(O3)CO)O)O)O"]
[1847,"480-16-0","O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12","O=c1c2c(oc(c1O)-c3c(cc(cc3)O)O)cc(O)cc2O",null,"O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12","O=c1c2c(oc(c1O)-c3c(cc(cc3)O)O)cc(O)cc2O",null,"O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12","O=c1c2c(oc(c1O)-c3c(cc(cc3)O)O)cc(O)cc2O",null,"O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12","O=c1c2c(oc(c1O)-c3c(cc(cc3)O)O)cc(O)cc2O"]
[1848,"480-63-7","Cc1cc(C)c(C(=O)O)c(C)c1","Cc1cc(c(c(c1)C)C(=O)O)C",null,"Cc1cc(C)c(C(=O)O)c(C)c1","Cc1cc(c(c(c1)C)C(=O)O)C",null,"Cc1cc(C)c(C(=O)O)c(C)c1","Cc1cc(c(c(c1)C)C(=O)O)C",null,"Cc1cc(C)c(C(=O)O)c(C)c1","Cc1cc(c(c(c1)C)C(=O)O)C"]
[1849,"480-67-1","Cc1cc(O)c(C(=O)O)c(O)c1","Cc1cc(c(c(c1)O)C(=O)O)O",null,"Cc1cc(O)c(C(=O)O)c(O)c1","Cc1cc(c(c(c1)O)C(=O)O)O",null,"Cc1cc(O)c(C(=O)O)c(O)c1","Cc1cc(c(c(c1)O)C(=O)O)O",null,"Cc1cc(O)c(C(=O)O)c(O)c1","Cc1cc(c(c(c1)O)C(=O)O)O"]
[1850,"480-68-2","O=C1NC(=O)C([N+](=O)[O-])C(=O)N1","O=C1NC(C(C(N1)=O)[N+](=O)[O-])=O",null,"O=C1NC(=O)C([N+](=O)[O-])C(=O)N1","O=C1NC(C(C(N1)=O)[N+](=O)[O-])=O",null,"O=C1NC(=O)C([N+](=O)[O-])C(=O)N1","O=C1NC(C(C(N1)=O)[N+](=O)[O-])=O",null,"O=C1NC(=O)C([N+](=O)[O-])C(=O)N1","O=C1NC(C(C(N1)=O)[N+](=O)[O-])=O"]
[1851,"481-06-1","CC1=C2C3OC(=O)C(C)C3CCC2(C)C=CC1=O","CC=1C(C=CC2(C1C3C(C(C(O3)=O)C)CC2)C)=O",null,"CC1=C2C3OC(=O)C(C)C3CCC2(C)C=CC1=O","CC=1C(C=CC2(C1C3C(C(C(O3)=O)C)CC2)C)=O",null,"CC1=C2C3OC(=O)C(C)C3CCC2(C)C=CC1=O","CC=1C(C=CC2(C1C3C(C(C(O3)=O)C)CC2)C)=O",null,"CC1=C2C3OC(=O)C(C)C3CCC2(C)C=CC1=O","CC=1C(C=CC2(C1C3C(C(C(O3)=O)C)CC2)C)=O"]
[1852,"481-29-8","CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O",null,"CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O",null,"CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O",null,"CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O"]
[1853,"481-37-8","CN1C2CCC1C(C(=O)O)C(O)C2","CN1C2CCC1CC(C2C(=O)O)O",null,"CN1C2CCC1C(C(=O)O)C(O)C2","CN1C2CCC1CC(C2C(=O)O)O"]
[1854,"481-42-5","CC1=CC(=O)c2c(O)cccc2C1=O","CC=1C(c2c(C(C1)=O)c(O)ccc2)=O",null,"CC1=CC(=O)c2c(O)cccc2C1=O","CC=1C(c2c(C(C1)=O)c(O)ccc2)=O",null,"CC1=CC(=O)c2c(O)cccc2C1=O","CC=1C(c2c(C(C1)=O)c(O)ccc2)=O",null,"CC1=CC(=O)c2c(O)cccc2C1=O","CC=1C(c2c(C(C1)=O)c(O)ccc2)=O"]
[1855,"482-05-3","O=C(O)c1ccccc1-c1ccccc1C(=O)O","O=C(O)c1c(cccc1)-c2c(cccc2)C(=O)O",null,"O=C(O)c1ccccc1-c1ccccc1C(=O)O","O=C(O)c1c(cccc1)-c2c(cccc2)C(=O)O",null,"O=C(O)c1ccccc1-c1ccccc1C(=O)O","O=C(O)c1c(cccc1)-c2c(cccc2)C(=O)O",null,"O=C(O)c1ccccc1-c1ccccc1C(=O)O","O=C(O)c1c(cccc1)-c2c(cccc2)C(=O)O"]
[1856,"483-57-8","Cn1c(=O)c2ncnnc2n(C)c1=O","Cn1c(n(c2c(c1=O)ncnn2)C)=O",null,"Cn1c(=O)c2ncnnc2n(C)c1=O","Cn1c(n(c2c(c1=O)ncnn2)C)=O"]
[1857,"484-12-8","COc1ccc2ccc(=O)oc2c1CC=C(C)C","COc1c(c2c(cc1)ccc(=O)o2)CC=C(C)C",null,"COc1ccc2ccc(=O)oc2c1CC=C(C)C","COc1c(c2c(cc1)ccc(=O)o2)CC=C(C)C",null,"COc1ccc2ccc(=O)oc2c1CC=C(C)C","COc1c(c2c(cc1)ccc(=O)o2)CC=C(C)C",null,"COc1ccc2ccc(=O)oc2c1CC=C(C)C","COc1c(c2c(cc1)ccc(=O)o2)CC=C(C)C"]
[1858,"485-31-4","CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)C=C(C)C","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C",null,"CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)C=C(C)C","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C",null,"CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)C=C(C)C","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C",null,"CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)C=C(C)C","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C"]
[1859,"485-35-8","O=c1cccc2n1CC1CNCC2C1","O=c1n2c(ccc1)C3CNCC(C2)C3",null,"O=c1cccc2n1CC1CNCC2C1","O=c1n2c(ccc1)C3CNCC(C2)C3",{"$nulls":4},"O=c1cccc2n1CC1CNCC2C1","O=c1n2c(ccc1)C3CNCC(C2)C3"]
[1860,"485-43-8","CC1CCC2C(C)C(=O)OCC12","CC1C2C(CC1)C(C)C(=O)OC2",null,"CC1CCC2C(C)C(=O)OCC12","CC1C2C(CC1)C(C)C(=O)OC2",null,"CC1CCC2C(C)C(=O)OCC12","CC1C2C(CC1)C(C)C(=O)OC2",null,"CC1CCC2C(C)C(=O)OCC12","CC1C2C(CC1)C(C)C(=O)OC2"]
[1861,"485-65-4","CCC1CN2CCC1CC2C(O)c1ccnc2ccccc12","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",null,"CCC1CN2CCC1CC2C(O)c1ccnc2ccccc12","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",null,"CCC1CN2CCC1CC2C(O)c1ccnc2ccccc12","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",null,"CCC1CN2CCC1CC2C(O)c1ccnc2ccccc12","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4"]
[1862,"485-71-2","C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",null,"C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",{"$nulls":4},"C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4"]
[1863,"486-64-6",{"$nulls":3},"O=c1c2ccccc2nc2n1CCC2O","O=c1n2c(nc3c1cccc3)C(CC2)O"]
[1864,"486-86-2","CN1CC2CC(C1)c1cccc(=O)n1C2","CN1CC2CC(C1)Cn3c2cccc3=O",null,"CN1CC2CC(C1)c1cccc(=O)n1C2","CN1CC2CC(C1)Cn3c2cccc3=O",null,"CN1CC2CC(C1)c1cccc(=O)n1C2","CN1CC2CC(C1)Cn3c2cccc3=O",null,"CN1CC2CC(C1)c1cccc(=O)n1C2","CN1CC2CC(C1)Cn3c2cccc3=O"]
[1865,"487-21-8","O=c1[nH]c(=O)c2nccnc2[nH]1","O=c1[nH]c2c(c([nH]1)=O)nccn2",null,"O=c1[nH]c(=O)c2nccnc2[nH]1","O=c1[nH]c2c(c([nH]1)=O)nccn2",null,"Oc1nc(O)c2nccnc2n1","Oc1nc2c(c(n1)O)nccn2",null,"Oc1nc(O)c2nccnc2n1","Oc1nc2c(c(n1)O)nccn2"]
[1866,"487-41-2","COc1ccc(C2OCC3C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)cc1OC","COc1c(cc(cc1)C2C3C(CO2)C(c4cc(c(cc4)OC5C(C(C(C(O5)CO)O)O)O)OC)OC3)OC",null,"COc1ccc(C2OCC3C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)cc1OC","COc1c(cc(cc1)C2C3C(CO2)C(c4cc(c(cc4)OC5C(C(C(C(O5)CO)O)O)O)OC)OC3)OC",null,"COc1ccc(C2OCC3C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)cc1OC","COc1c(cc(cc1)C2C3C(CO2)C(c4cc(c(cc4)OC5C(C(C(C(O5)CO)O)O)O)OC)OC3)OC",null,"COc1ccc(C2OCC3C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)cc1OC","COc1c(cc(cc1)C2C3C(CO2)C(c4cc(c(cc4)OC5C(C(C(C(O5)CO)O)O)O)OC)OC3)OC"]
[1867,"487-65-0",{"$nulls":3},"CC1=C(CCC(=O)O)C(=O)NC1=O","CC=1C(NC(C1CCC(=O)O)=O)=O",{"$nulls":4},"CC1=C(CCC(=O)O)C(=O)NC1=O","CC=1C(NC(C1CCC(=O)O)=O)=O"]
[1868,"488-38-0","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",null,"OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",null,"OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",null,"OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO"]
[1869,"488-59-5","OC1C(O)C(O)C(O)C(O)C1O","OC1C(C(C(C(C1O)O)O)O)O",null,"OC1C(O)C(O)C(O)C(O)C1O","OC1C(C(C(C(C1O)O)O)O)O"]
[1870,"488-73-3","OC1CC(O)C(O)C(O)C1O","OC1C(C(C(C(C1)O)O)O)O",null,"OC1CC(O)C(O)C(O)C1O","OC1C(C(C(C(C1)O)O)O)O",null,"OC1CC(O)C(O)C(O)C1O","OC1C(C(C(C(C1)O)O)O)O",null,"OC1CC(O)C(O)C(O)C1O","OC1C(C(C(C(C1)O)O)O)O"]
[1871,"489-84-9","Cc1ccc(C(C)C)cc2c(C)ccc1-2","Cc1c2-c(cc(cc1)C(C)C)c(C)cc2",null,"Cc1ccc(C(C)C)cc2c(C)ccc1-2","Cc1c2-c(cc(cc1)C(C)C)c(C)cc2",null,"Cc1ccc(C(C)C)cc2c(C)ccc1-2","Cc1c2-c(cc(cc1)C(C)C)c(C)cc2",null,"Cc1ccc(C(C)C)cc2c(C)ccc1-2","Cc1c2-c(cc(cc1)C(C)C)c(C)cc2"]
[1872,"490-11-9","O=C(O)c1ccncc1C(=O)O","O=C(O)c1c(cncc1)C(=O)O",null,"O=C(O)c1ccncc1C(=O)O","O=C(O)c1c(cncc1)C(=O)O",null,"O=C(O)c1ccncc1C(=O)O","O=C(O)c1c(cncc1)C(=O)O",null,"O=C(O)c1ccncc1C(=O)O","O=C(O)c1c(cncc1)C(=O)O"]
[1873,"490-26-6","O=C(O)c1cc2c(cc1C(=O)O)OCO2","O=C(O)c1c(cc2c(c1)OCO2)C(=O)O",{"$nulls":4},"O=C(O)c1cc2c(cc1C(=O)O)OCO2","O=C(O)c1c(cc2c(c1)OCO2)C(=O)O",null,"O=C(O)c1cc2c(cc1C(=O)O)OCO2","O=C(O)c1c(cc2c(c1)OCO2)C(=O)O"]
[1874,"490-58-4"]
[1875,"490-67-5","COC(=O)c1ccccc1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O","COC(=O)c1c(cccc1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O",null,"COC(=O)c1ccccc1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O","COC(=O)c1c(cccc1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O",null,"COC(=O)c1ccccc1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O","COC(=O)c1c(cccc1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O",null,"COC(=O)c1ccccc1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O","COC(=O)c1c(cccc1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O"]
[1876,"490-79-9","O=C(O)c1cc(O)ccc1O","O=C(O)c1c(ccc(c1)O)O",null,"O=C(O)c1cc(O)ccc1O","O=C(O)c1c(ccc(c1)O)O",null,"O=C(O)c1cc(O)ccc1O","O=C(O)c1c(ccc(c1)O)O",null,"O=C(O)c1cc(O)ccc1O","O=C(O)c1c(ccc(c1)O)O"]
[1877,"491-30-5","O=c1[nH]ccc2ccccc12","O=c1c2c(cc[nH]1)cccc2",null,"O=c1[nH]ccc2ccccc12","O=c1c2c(cc[nH]1)cccc2",null,"O=c1[nH]ccc2ccccc12","O=c1c2c(cc[nH]1)cccc2",null,"O=c1[nH]ccc2ccccc12","O=c1c2c(cc[nH]1)cccc2"]
[1878,"491-59-8","Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=O","Cc1cc2c(c(c1)O)C(c3c(C2)cccc3O)=O",null,"Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1","Cc1cc2c(c(c1)O)c(O)c3c(cccc3O)c2",null,"Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1","Cc1cc2c(c(c1)O)c(O)c3c(cccc3O)c2",null,"Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1","Cc1cc2c(c(c1)O)c(O)c3c(cccc3O)c2"]
[1879,"492-11-5","Nc1nc(=O)c2[nH]c(=O)c(=O)[nH]c2[nH]1","Nc1[nH]c2c(c(n1)=O)[nH]c(=O)c(=O)[nH]2",null,"Nc1nc(=O)c2[nH]c(=O)c(=O)[nH]c2[nH]1","Nc1[nH]c2c(c(n1)=O)[nH]c(=O)c(=O)[nH]2",null,"Nc1nc(=O)c2[nH]c(=O)c(=O)[nH]c2[nH]1","Nc1[nH]c2c(c(n1)=O)[nH]c(=O)c(=O)[nH]2",null,"Nc1nc(=O)c2[nH]c(=O)c(=O)[nH]c2[nH]1","Nc1[nH]c2c(c(n1)=O)[nH]c(=O)c(=O)[nH]2"]
[1880,"492-18-2",{"$nulls":6},"COC(CNC(=O)c1ccccc1OCC(=O)O)C[Hg]O","COC(CNC(=O)c1c(cccc1)OCC(=O)O)C[Hg]O"]
[1881,"492-38-6","C=C(C(=O)O)c1ccccc1","C=C(C(=O)O)c1ccccc1",null,"C=C(C(=O)O)c1ccccc1","C=C(C(=O)O)c1ccccc1",null,"C=C(C(=O)O)c1ccccc1","C=C(C(=O)O)c1ccccc1",null,"C=C(C(=O)O)c1ccccc1","C=C(C(=O)O)c1ccccc1"]
[1882,"492-39-7","CC(N)C(O)c1ccccc1","CC(N)C(O)c1ccccc1",null,"CC(N)C(O)c1ccccc1","CC(N)C(O)c1ccccc1",{"$nulls":4},"CC(N)C(O)c1ccccc1","CC(N)C(O)c1ccccc1"]
[1883,"492-62-6","OCC1OC(O)C(O)C(O)C1O","OCC1C(C(C(C(O1)O)O)O)O",null,"OCC1OC(O)C(O)C(O)C1O","OCC1C(C(C(C(O1)O)O)O)O",null,"OCC1OC(O)C(O)C(O)C1O","OCC1C(C(C(C(O1)O)O)O)O",null,"OCC1OC(O)C(O)C(O)C1O","OCC1C(C(C(C(O1)O)O)O)O"]
[1884,"492-70-6","OC(c1ccccc1)C(O)c1ccccc1","OC(c1ccccc1)C(O)c2ccccc2",null,"OC(c1ccccc1)C(O)c1ccccc1","OC(c1ccccc1)C(O)c2ccccc2"]
[1885,"493-72-1","O=C1CC(=O)CC(c2ccccc2)C1","O=C1CC(CC(C1)=O)c2ccccc2",null,"O=C1C=C(O)CC(c2ccccc2)C1","O=C1CC(CC(=C1)O)c2ccccc2",null,"O=C1CC(=O)CC(c2ccccc2)C1","O=C1CC(CC(C1)=O)c2ccccc2",null,"O=C1CC(=O)CC(c2ccccc2)C1","O=C1CC(CC(C1)=O)c2ccccc2"]
[1886,"494-38-2","CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1","CN(C)c1cc2c(cc1)cc3c(cc(cc3)N(C)C)n2",null,"CN(C)c1ccc2nc3cccc(N(C)C)c3cc2c1","CN(C)c1cc2c(cc1)nc3c(c(ccc3)N(C)C)c2","[Cl-](1), [H+](1)",{"$nulls":3},"CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1","CN(C)c1cc2c(cc1)cc3c(cc(cc3)N(C)C)n2"]
[1887,"494-52-0","c1cncc(C2CCCCN2)c1","c1cc(cnc1)C2NCCCC2",null,"c1cncc(C2CCCCN2)c1","c1cc(cnc1)C2NCCCC2",null,"c1cncc(C2CCCCN2)c1","c1cc(cnc1)C2NCCCC2",null,"c1cncc(C2CCCCN2)c1","c1cc(cnc1)C2NCCCC2"]
[1888,"495-08-9","OCc1cc(O)ccc1O","OCc1c(ccc(c1)O)O",null,"OCc1cc(O)ccc1O","OCc1c(ccc(c1)O)O",null,"OCc1cc(O)ccc1O","OCc1c(ccc(c1)O)O",null,"OCc1cc(O)ccc1O","OCc1c(ccc(c1)O)O"]
[1889,"495-69-2","O=C(O)CNC(=O)c1ccccc1","O=C(O)CNC(=O)c1ccccc1",null,"O=C(O)CNC(=O)c1ccccc1","O=C(O)CNC(=O)c1ccccc1",null,"O=C(O)CNC(=O)c1ccccc1","O=C(O)CNC(=O)c1ccccc1",null,"O=C(O)CNC(=O)c1ccccc1","O=C(O)CNC(=O)c1ccccc1"]
[1890,"495-73-8","O=Nc1ccc(NNC(=O)c2ccccc2)cc1","O=Nc1ccc(cc1)NNC(=O)c2ccccc2",null,"O=Nc1ccc(NNC(=O)c2ccccc2)cc1","O=Nc1ccc(cc1)NNC(=O)c2ccccc2",null,"O=C(NN=C1C=CC(=NO)C=C1)c1ccccc1","O=C(NN=C1C=CC(C=C1)=NO)c2ccccc2",null,"O=C(NN=C1C=CC(=NO)C=C1)c1ccccc1","O=C(NN=C1C=CC(C=C1)=NO)c2ccccc2"]
[1891,"495-84-1","O=C1C=CC=CC1=CNNC(=O)c1ccncc1","O=C1C(C=CC=C1)=CNNC(=O)c2ccncc2",null,"O=C1C=CC=CC1=CNNC(=O)c1ccncc1","O=C1C(C=CC=C1)=CNNC(=O)c2ccncc2",null,"O=C(NN=Cc1ccccc1O)c1ccncc1","O=C(NN=Cc1c(cccc1)O)c2ccncc2",null,"O=C(NN=Cc1ccccc1O)c1ccncc1","O=C(NN=Cc1c(cccc1)O)c2ccncc2"]
[1892,"496-11-7","c1ccc2c(c1)CCC2","c1cc2c(cc1)CCC2",null,"c1ccc2c(c1)CCC2","c1cc2c(cc1)CCC2",null,"c1ccc2c(c1)CCC2","c1cc2c(cc1)CCC2",null,"c1ccc2c(c1)CCC2","c1cc2c(cc1)CCC2"]
[1893,"496-15-1","c1ccc2c(c1)CCN2","c1cc2c(cc1)NCC2",null,"c1ccc2c(c1)CCN2","c1cc2c(cc1)NCC2",null,"c1ccc2c(c1)CCN2","c1cc2c(cc1)NCC2",null,"c1ccc2c(c1)CCN2","c1cc2c(cc1)NCC2"]
[1894,"497-03-0","CC=C(C)C=O","CC=C(C)C=O",null,"CC=C(C)C=O","CC=C(C)C=O",null,"CC=C(C)C=O","CC=C(C)C=O",null,"CC=C(C)C=O","CC=C(C)C=O"]
[1895,"497-26-7","CC1OCCO1","CC1OCCO1",null,"CC1OCCO1","CC1OCCO1",null,"CC1OCCO1","CC1OCCO1",null,"CC1OCCO1","CC1OCCO1"]
[1896,"497-38-1","O=C1CC2CCC1C2","O=C1C2CCC(C1)C2",null,"O=C1CC2CCC1C2","O=C1C2CCC(C1)C2",{"$nulls":4},"O=C1CC2CCC1C2","O=C1C2CCC(C1)C2"]
[1897,"497-58-5"]
[1898,"497-59-6","O=C(O)c1cc(=O)c(O)c(C(=O)O)o1","O=C(O)c1oc(c(c(c1)=O)O)C(=O)O",null,"O=C(O)C1=CC(=O)C(=O)C(=C(O)O)O1","O=C(O)C=1OC(C(C(C1)=O)=O)=C(O)O",null,"O=C(O)c1cc(=O)c(O)c(C(=O)O)o1","O=C(O)c1oc(c(c(c1)=O)O)C(=O)O",null,"O=C(O)c1cc(=O)c(O)c(C(=O)O)o1","O=C(O)c1oc(c(c(c1)=O)O)C(=O)O"]
[1899,"498-02-2","COc1cc(C(C)=O)ccc1O","COc1c(ccc(c1)C(C)=O)O",null,"COc1cc(C(C)=O)ccc1O","COc1c(ccc(c1)C(C)=O)O",null,"COc1cc(C(C)=O)ccc1O","COc1c(ccc(c1)C(C)=O)O",null,"COc1cc(C(C)=O)ccc1O","COc1c(ccc(c1)C(C)=O)O"]
[1900,"498-18-0","CCCC(N)C(=O)O","CCCC(N)C(=O)O",null,"CCCC(N)C(=O)O","CCCC(N)C(=O)O",null,"CCCC(N)C(=O)O","CCCC(N)C(=O)O"]
[1901,"498-21-5","CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O",null,"CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O",null,"CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O",null,"CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O"]
[1902,"498-23-7","CC(=CC(=O)O)C(=O)O","CC(=CC(=O)O)C(=O)O",null,"CC(=CC(=O)O)C(=O)O","CC(=CC(=O)O)C(=O)O"]
[1903,"498-24-8","CC(=CC(=O)O)C(=O)O","CC(=CC(=O)O)C(=O)O",null,"CC(=CC(=O)O)C(=O)O","CC(=CC(=O)O)C(=O)O",{"$nulls":4},"CC(=CC(=O)O)C(=O)O","CC(=CC(=O)O)C(=O)O"]
[1904,"498-71-5","CC1=CCC(C(C)(C)O)CC1O","CC=1C(CC(CC1)C(C)(C)O)O",null,"CC1=CCC(C(C)(C)O)CC1O","CC=1C(CC(CC1)C(C)(C)O)O"]
[1905,"499-12-7","O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O",null,"O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O",null,"O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O",null,"O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O"]
[1906,"499-74-1","CC(C)C1=CC(=O)C(C)CC1","CC(C)C=1CCC(C(C1)=O)C",null,"CC(C)C1=CC(=O)C(C)CC1","CC(C)C=1CCC(C(C1)=O)C"]
[1907,"499-75-2","Cc1ccc(C(C)C)cc1O","Cc1c(cc(cc1)C(C)C)O",null,"Cc1ccc(C(C)C)cc1O","Cc1c(cc(cc1)C(C)C)O",null,"Cc1ccc(C(C)C)cc1O","Cc1c(cc(cc1)C(C)C)O",null,"Cc1ccc(C(C)C)cc1O","Cc1c(cc(cc1)C(C)C)O"]
[1908,"499-80-9","O=C(O)c1ccnc(C(=O)O)c1","O=C(O)c1cc(ncc1)C(=O)O",null,"O=C(O)c1ccnc(C(=O)O)c1","O=C(O)c1cc(ncc1)C(=O)O",null,"O=C(O)c1ccnc(C(=O)O)c1","O=C(O)c1cc(ncc1)C(=O)O",null,"O=C(O)c1ccnc(C(=O)O)c1","O=C(O)c1cc(ncc1)C(=O)O"]
[1909,"499-81-0",null,null,"OC(=O)c1cncc(c1)C(O)=O(1)",null,null,"OC(=O)c1cncc(c1)C(O)=O(1)",null,null,"OC(=O)c1cc(cnc1)C(O)=O(1)",null,null,"OC(=O)c1cc(cnc1)C(O)=O(1)",null,"Organic counterion"]
[1910,"499-83-2","O=C(O)c1cccc(C(=O)O)n1","O=C(O)c1nc(ccc1)C(=O)O",null,"O=C(O)c1cccc(C(=O)O)n1","O=C(O)c1nc(ccc1)C(=O)O",null,"O=C(O)c1cccc(C(=O)O)n1","O=C(O)c1nc(ccc1)C(=O)O",null,"O=C(O)c1cccc(C(=O)O)n1","O=C(O)c1nc(ccc1)C(=O)O"]
[1911,"500-28-7",{"$nulls":3},"COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(Cl)c1","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])Cl",null,"COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(Cl)c1","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])Cl",null,"COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(Cl)c1","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])Cl"]
[1912,"500-34-5","CC1CC(OC(=O)c2ccccc2)CC(C)(C)N1","CC1NC(CC(C1)OC(=O)c2ccccc2)(C)C",null,"CC1CC(OC(=O)c2ccccc2)CC(C)(C)N1","CC1NC(CC(C1)OC(=O)c2ccccc2)(C)C",null,"CC1CC(OC(=O)c2ccccc2)CC(C)(C)N1","CC1NC(CC(C1)OC(=O)c2ccccc2)(C)C",null,"CC1CC(OC(=O)c2ccccc2)CC(C)(C)N1","CC1NC(CC(C1)OC(=O)c2ccccc2)(C)C"]
[1913,"500-72-1","O=C(O)C(=O)Nc1ccccc1","O=C(O)C(=O)Nc1ccccc1",null,"O=C(O)C(=O)Nc1ccccc1","O=C(O)C(=O)Nc1ccccc1",null,"O=C(O)C(=O)Nc1ccccc1","O=C(O)C(=O)Nc1ccccc1",null,"O=C(O)C(=O)Nc1ccccc1","O=C(O)C(=O)Nc1ccccc1"]
[1914,"500-98-1","O=C(O)CNC(=O)Cc1ccccc1","O=C(O)CNC(=O)Cc1ccccc1",null,"O=C(O)CNC(=O)Cc1ccccc1","O=C(O)CNC(=O)Cc1ccccc1",{"$nulls":4},"O=C(O)CNC(=O)Cc1ccccc1","O=C(O)CNC(=O)Cc1ccccc1"]
[1915,"501-52-0","O=C(O)CCc1ccccc1","O=C(O)CCc1ccccc1",null,"O=C(O)CCc1ccccc1","O=C(O)CCc1ccccc1",null,"O=C(O)CCc1ccccc1","O=C(O)CCc1ccccc1",null,"O=C(O)CCc1ccccc1","O=C(O)CCc1ccccc1"]
[1916,"501-68-8","O=C(CCCl)NCc1ccccc1","O=C(CCCl)NCc1ccccc1",null,"O=C(CCCl)NCc1ccccc1","O=C(CCCl)NCc1ccccc1",null,"O=C(CCCl)NCc1ccccc1","O=C(CCCl)NCc1ccccc1",null,"O=C(CCCl)NCc1ccccc1","O=C(CCCl)NCc1ccccc1"]
[1917,"501-89-3","O=C(O)Cc1ccc(C(=O)O)cc1","O=C(O)Cc1ccc(cc1)C(=O)O",null,"O=C(O)Cc1ccc(C(=O)O)cc1","O=C(O)Cc1ccc(cc1)C(=O)O",null,"O=C(O)Cc1ccc(C(=O)O)cc1","O=C(O)Cc1ccc(cc1)C(=O)O",null,"O=C(O)Cc1ccc(C(=O)O)cc1","O=C(O)Cc1ccc(cc1)C(=O)O"]
[1918,"502-39-6",{"$nulls":6},"C[Hg]NC(=N)NC#N","C[Hg]NC(=N)NC#N",null,"C[Hg]NC(=N)NC#N","C[Hg]NC(=N)NC#N"]
[1919,"502-45-4","NC(=O)NC(=O)C=CC(=O)O","NC(=O)NC(=O)C=CC(=O)O",{"$nulls":4},"N=C(O)N=C(O)C=CC(=O)O","N=C(O)N=C(O)C=CC(=O)O",null,"N=C(O)N=C(O)C=CC(=O)O","N=C(O)N=C(O)C=CC(=O)O"]
[1920,"502-51-2","O=C(O)C=CC(=O)CCC(=O)O","O=C(O)C=CC(=O)CCC(=O)O",{"$nulls":7},"O=C(O)C1C=COC1=O","O=C(O)C1C(OC=C1)=O"]
[1921,"502-55-6","CCOC(=S)SSC(=S)OCC","CCOC(=S)SSC(=S)OCC",null,"CCOC(=S)SSC(=S)OCC","CCOC(=S)SSC(=S)OCC",null,"CCOC(=S)SSC(=S)OCC","CCOC(=S)SSC(=S)OCC",null,"CCOC(=S)SSC(=S)OCC","CCOC(=S)SSC(=S)OCC"]
[1922,"502-56-7","CCCCC(=O)CCCC","CCCCC(=O)CCCC",null,"CCCCC(=O)CCCC","CCCCC(=O)CCCC",null,"CCCCC(=O)CCCC","CCCCC(=O)CCCC",null,"CCCCC(=O)CCCC","CCCCC(=O)CCCC"]
[1923,"503-30-0","C1COC1","C1COC1",null,"C1COC1","C1COC1",null,"C1COC1","C1COC1",null,"C1COC1","C1COC1"]
[1924,"503-40-2","O=S(=O)(O)CS(=O)(=O)O","O=S(=O)(O)CS(=O)(=O)O",null,"O=S(=O)(O)CS(=O)(=O)O","O=S(=O)(O)CS(=O)(=O)O",null,"O=S(=O)(O)CS(=O)(=O)O","O=S(=O)(O)CS(=O)(=O)O",null,"O=S(=O)(O)CS(=O)(=O)O","O=S(=O)(O)CS(=O)(=O)O"]
[1925,"503-64-0","CC=CC(=O)O","CC=CC(=O)O","CC=CC(O)=O(1)","CC=CC(=O)O","CC=CC(=O)O",null,"CC=CC(=O)O","CC=CC(=O)O",null,"CC=CC(=O)O","CC=CC(=O)O"]
[1926,"503-74-2","CC(C)CC(=O)O","CC(C)CC(=O)O",null,"CC(C)CC(=O)O","CC(C)CC(=O)O",null,"CC(C)CC(=O)O","CC(C)CC(=O)O",null,"CC(C)CC(=O)O","CC(C)CC(=O)O"]
[1927,"504-24-5","Nc1ccncc1","Nc1ccncc1",null,"Nc1ccncc1","Nc1ccncc1",null,"Nc1ccncc1","Nc1ccncc1",null,"Nc1ccncc1","Nc1ccncc1"]
[1928,"504-29-0","Nc1ccccn1","Nc1ncccc1",null,"Nc1ccccn1","Nc1ncccc1",null,"Nc1ccccn1","Nc1ncccc1",null,"Nc1ccccn1","Nc1ncccc1"]
[1929,"505-29-3","C1CSCCS1","C1SCCSC1",null,"C1CSCCS1","C1SCCSC1",null,"C1CSCCS1","C1SCCSC1",null,"C1CSCCS1","C1SCCSC1"]
[1930,"505-34-0","CS(=O)(=O)CCCN=C=S","CS(=O)(=O)CCCN=C=S",null,"CS(=O)(=O)CCCN=C=S","CS(=O)(=O)CCCN=C=S",null,"CS(=O)(=O)CCCN=C=S","CS(=O)(=O)CCCN=C=S",null,"CS(=O)(=O)CCCN=C=S","CS(=O)(=O)CCCN=C=S"]
[1931,"505-48-6","O=C(O)CCCCCCC(=O)O","O=C(O)CCCCCCC(=O)O",null,"O=C(O)CCCCCCC(=O)O","O=C(O)CCCCCCC(=O)O",null,"O=C(O)CCCCCCC(=O)O","O=C(O)CCCCCCC(=O)O",null,"O=C(O)CCCCCCC(=O)O","O=C(O)CCCCCCC(=O)O"]
[1932,"505-52-2","O=C(O)CCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCC(=O)O",null,"O=C(O)CCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCC(=O)O",null,"O=C(O)CCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCC(=O)O",null,"O=C(O)CCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCC(=O)O"]
[1933,"505-60-2","ClCCSCCCl","ClCCSCCCl",null,"ClCCSCCCl","ClCCSCCCl",null,"ClCCSCCCl","ClCCSCCCl",null,"ClCCSCCCl","ClCCSCCCl"]
[1934,"505-70-4",{"$nulls":3},"O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O",null,"O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O",null,"O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O"]
[1935,"505-72-6","O=C(O)CCNCC(=O)O","O=C(O)CCNCC(=O)O",null,"O=C(O)CCNCC(=O)O","O=C(O)CCNCC(=O)O"]
[1936,"505-97-5",{"$nulls":6},"C#CC#CC=C=CCCO","C#CC#CC=C=CCCO",null,"C#CC#CC=C=CCCO","C#CC#CC=C=CCCO"]
[1937,"506-77-4","N#CCl","N#CCl",null,"N#CCl","N#CCl",null,"N#CCl","N#CCl",null,"N#CCl","N#CCl"]
[1938,"506-78-5","N#CI","N#CI",null,"N#CI","N#CI",null,"N#CI","N#CI",null,"N#CI","N#CI"]
[1939,"507-19-7","CC(C)(C)Br","CC(C)(C)Br",null,"CC(C)(C)Br","CC(C)(C)Br",null,"CC(C)(C)Br","CC(C)(C)Br",null,"CC(C)(C)Br","CC(C)(C)Br"]
[1940,"507-20-0","CC(C)(C)Cl","CC(C)(C)Cl",null,"CC(C)(C)Cl","CC(C)(C)Cl",null,"CC(C)(C)Cl","CC(C)(C)Cl",null,"CC(C)(C)Cl","CC(C)(C)Cl"]
[1941,"507-70-0","CC1(C)C2CCC1(C)C(O)C2","CC1(C2(CCC1CC2O)C)C",null,"CC1(C)C2CCC1(C)C(O)C2","CC1(C2(CCC1CC2O)C)C",null,"CC1(C)C2CCC1(C)C(O)C2","CC1(C2(CCC1CC2O)C)C",null,"CC1(C)C2CCC1(C)C(O)C2","CC1(C2(CCC1CC2O)C)C"]
[1942,"508-34-9","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O",{"$nulls":4},"CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O",null,"CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O"]
[1943,"508-96-3","CC(C)(C)CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C","CC(C)(C)CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O",null,"CC(C)(C)CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C","CC(C)(C)CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O",null,"CC(C)(C)CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C","CC(C)(C)CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O",null,"CC(C)(C)CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C","CC(C)(C)CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O"]
[1944,"509-14-8","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",null,"O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",null,"O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",null,"O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]"]
[1945,"509-67-1","CN1CCC23c4c5ccc(OCCN6CCOCC6)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5OCCN6CCOCC6)C(O)C=C3",null,"CN1CCC23c4c5ccc(OCCN6CCOCC6)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5OCCN6CCOCC6)C(O)C=C3",null,"CN1CCC23c4c5ccc(OCCN6CCOCC6)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5OCCN6CCOCC6)C(O)C=C3",null,"CN1CCC23c4c5ccc(OCCN6CCOCC6)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5OCCN6CCOCC6)C(O)C=C3"]
[1946,"509-86-4","CCC1(C2=CCCCCC2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCCC2",null,"CCC1(C2=CCCCCC2)C(=O)[N-]C(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCCC2","[Na+](1)","CCC1(C2=CCCCCC2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCCC2",null,"CCC1(C2=CCCCCC2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCCC2"]
[1947,"509-87-5",{"$nulls":3},"CCC1(N2CCCCC2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)N2CCCCC2",{"$nulls":4},"CCC1(N2CCCCC2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)N2CCCCC2"]
[1948,"510-15-6","CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1","CCOC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl",null,"CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1","CCOC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl",null,"CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1","CCOC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl",null,"CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1","CCOC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl"]
[1949,"510-20-3","CCC(CC)(C(=O)O)C(=O)O","CCC(CC)(C(=O)O)C(=O)O",null,"CCC(CC)(C(=O)O)C(=O)O","CCC(CC)(C(=O)O)C(=O)O",null,"CCC(CC)(C(=O)O)C(=O)O","CCC(CC)(C(=O)O)C(=O)O",null,"CCC(CC)(C(=O)O)C(=O)O","CCC(CC)(C(=O)O)C(=O)O"]
[1950,"511-70-6","CCC(Br)(CC)C(N)=O","CCC(Br)(CC)C(N)=O",null,"CCC(Br)(CC)C(N)=O","CCC(Br)(CC)C(N)=O",null,"CCC(Br)(CC)C(N)=O","CCC(Br)(CC)C(N)=O",null,"CCC(Br)(CC)C(N)=O","CCC(Br)(CC)C(N)=O"]
[1951,"512-04-9","CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C","CC1COC2(CC1)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C",null,"CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C","CC1COC2(CC1)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C",null,"CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C","CC1COC2(CC1)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C",null,"CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C","CC1COC2(CC1)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C"]
[1952,"512-56-1","COP(=O)(OC)OC","COP(=O)(OC)OC",null,"COP(=O)(OC)OC","COP(=O)(OC)OC",null,"COP(=O)(OC)OC","COP(=O)(OC)OC",null,"COP(=O)(OC)OC","COP(=O)(OC)OC"]
[1953,"512-60-7",{"$nulls":3},"CC1(C)C2CC3C(C2)C31C(=O)O","CC1(C2(C3CC1CC32)C(=O)O)C"]
[1954,"512-69-6","OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O",null,"OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O",null,"OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O",null,"OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O"]
[1955,"513-08-6","CCCOP(=O)(OCCC)OCCC","CCCOP(=O)(OCCC)OCCC",null,"CCCOP(=O)(OCCC)OCCC","CCCOP(=O)(OCCC)OCCC",null,"CCCOP(=O)(OCCC)OCCC","CCCOP(=O)(OCCC)OCCC",null,"CCCOP(=O)(OCCC)OCCC","CCCOP(=O)(OCCC)OCCC"]
[1956,"513-35-9","CC=C(C)C","CC=C(C)C",null,"CC=C(C)C","CC=C(C)C",null,"CC=C(C)C","CC=C(C)C",null,"CC=C(C)C","CC=C(C)C"]
[1957,"513-36-0","CC(C)CCl","CC(C)CCl",null,"CC(C)CCl","CC(C)CCl",null,"CC(C)CCl","CC(C)CCl",null,"CC(C)CCl","CC(C)CCl"]
[1958,"513-37-1","CC(C)=CCl","CC(C)=CCl",null,"CC(C)=CCl","CC(C)=CCl",null,"CC(C)=CCl","CC(C)=CCl",null,"CC(C)=CCl","CC(C)=CCl"]
[1959,"513-42-8","C=C(C)CO","C=C(C)CO",null,"C=C(C)CO","C=C(C)CO",null,"C=C(C)CO","C=C(C)CO",null,"C=C(C)CO","C=C(C)CO"]
[1960,"513-48-4","CCC(C)I","CCC(C)I",null,"CCC(C)I","CCC(C)I",null,"CCC(C)I","CCC(C)I",null,"CCC(C)I","CCC(C)I"]
[1961,"513-53-1","CCC(C)S","CCC(C)S",null,"CCC(C)S","CCC(C)S",null,"CCC(C)S","CCC(C)S",null,"CCC(C)S","CCC(C)S"]
[1962,"513-81-5","C=C(C)C(=C)C","C=C(C)C(=C)C",null,"C=C(C)C(=C)C","C=C(C)C(=C)C",null,"C=C(C)C(=C)C","C=C(C)C(=C)C",null,"C=C(C)C(=C)C","C=C(C)C(=C)C"]
[1963,"513-85-9","CC(O)C(C)O","CC(O)C(C)O",null,"CC(O)C(C)O","CC(O)C(C)O",null,"CC(O)C(C)O","CC(O)C(C)O",null,"CC(O)C(C)O","CC(O)C(C)O"]
[1964,"513-86-0","CC(=O)C(C)O","CC(=O)C(C)O",null,"CC(=O)C(C)O","CC(=O)C(C)O",null,"CC(=O)C(C)O","CC(=O)C(C)O",null,"CC(=O)C(C)O","CC(=O)C(C)O"]
[1965,"514-10-3","CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1","CC(C)C=1CCC2C(C1)=CCC3C2(CCCC3(C)C(=O)O)C",null,"CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1","CC(C)C=1CCC2C(C1)=CCC3C2(CCCC3(C)C(=O)O)C",null,"CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1","CC(C)C=1CCC2C(C1)=CCC3C2(CCCC3(C)C(=O)O)C",null,"CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1","CC(C)C=1CCC2C(C1)=CCC3C2(CCCC3(C)C(=O)O)C"]
[1966,"514-17-0","CC12CC(O)C3C(CCC4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(C(C1)O)C4(C(CC3)CC(O)CC4)C)CCC2=O",null,"CC12CC(O)C3C(CCC4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(C(C1)O)C4(C(CC3)CC(O)CC4)C)CCC2=O"]
[1967,"515-30-0",{"$nulls":3},"CC(O)(C(=O)O)c1ccccc1","CC(O)(C(=O)O)c1ccccc1",{"$nulls":4},"CC(O)(C(=O)O)c1ccccc1","CC(O)(C(=O)O)c1ccccc1"]
[1968,"515-46-8","CCOS(=O)(=O)c1ccccc1","CCOS(=O)(=O)c1ccccc1",null,"CCOS(=O)(=O)c1ccccc1","CCOS(=O)(=O)c1ccccc1",null,"CCOS(=O)(=O)c1ccccc1","CCOS(=O)(=O)c1ccccc1",null,"CCOS(=O)(=O)c1ccccc1","CCOS(=O)(=O)c1ccccc1"]
[1969,"515-49-1","NC(=S)NS(=O)(=O)c1ccc(N)cc1","NC(=S)NS(=O)(=O)c1ccc(cc1)N",null,"NC(=S)NS(=O)(=O)c1ccc(N)cc1","NC(=S)NS(=O)(=O)c1ccc(cc1)N",null,"NC(=S)NS(=O)(=O)c1ccc(N)cc1","NC(=S)NS(=O)(=O)c1ccc(cc1)N",null,"NC(=S)NS(=O)(=O)c1ccc(N)cc1","NC(=S)NS(=O)(=O)c1ccc(cc1)N"]
[1970,"515-59-3","Cc1csc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(sc1)NS(=O)(=O)c2ccc(cc2)N",null,"Cc1csc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(sc1)NS(=O)(=O)c2ccc(cc2)N",null,"Cc1csc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(sc1)NS(=O)(=O)c2ccc(cc2)N",null,"Cc1csc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(sc1)NS(=O)(=O)c2ccc(cc2)N"]
[1971,"515-64-0","Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1","Cc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C",null,"Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1","Cc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C",null,"Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1","Cc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C",null,"Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1","Cc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C"]
[1972,"516-05-2","CC(C(=O)O)C(=O)O","CC(C(=O)O)C(=O)O",null,"CC(C(=O)O)C(=O)O","CC(C(=O)O)C(=O)O",{"$nulls":4},"CC(C(=O)O)C(=O)O","CC(C(=O)O)C(=O)O"]
[1973,"516-06-3","CC(C)C(N)C(=O)O","CC(C)C(N)C(=O)O",null,"CC(C)C(N)C(=O)O","CC(C)C(N)C(=O)O"]
[1974,"517-09-9","CC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O","CC12C(c3c(CC1)c4c(cc3)cc(O)cc4)CCC2=O",null,"CC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O","CC12C(c3c(CC1)c4c(cc3)cc(O)cc4)CCC2=O",null,"CC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O","CC12C(c3c(CC1)c4c(cc3)cc(O)cc4)CCC2=O",null,"CC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O","CC12C(c3c(CC1)c4c(cc3)cc(O)cc4)CCC2=O"]
[1975,"517-23-7","CC(=O)C1CCOC1=O","CC(=O)C1C(OCC1)=O",null,"CC(=O)C1CCOC1=O","CC(=O)C1C(OCC1)=O",null,"CC(=O)C1CCOC1=O","CC(=O)C1C(OCC1)=O",null,"CC(=O)C1CCOC1=O","CC(=O)C1C(OCC1)=O"]
[1976,"517-40-8","Cc1ccnc(C(=O)O)c1C(=O)O","Cc1c(c(ncc1)C(=O)O)C(=O)O"]
[1977,"518-29-6","COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1OC","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)OC",null,"COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1OC","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)OC",null,"COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1OC","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)OC",null,"COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1OC","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)OC"]
[1978,"518-45-6","O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21","O=C1c2c(C3(O1)c4c(Oc5c3ccc(O)c5)cc(O)cc4)cccc2",null,"O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21","O=C1c2c(C3(O1)c4c(Oc5c3ccc(O)c5)cc(O)cc4)cccc2",null,"O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21","O=C1c2c(C3(O1)c4c(Oc5c3ccc(O)c5)cc(O)cc4)cccc2"]
[1979,"519-05-1","COc1ccc(C=O)c(C(=O)O)c1OC","COc1c(c(c(cc1)C=O)C(=O)O)OC",null,"COc1ccc(C=O)c(C(=O)O)c1OC","COc1c(c(c(cc1)C=O)C(=O)O)OC"]
[1980,"519-34-6","O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O","O=C(c1cc(c(cc1)O)O)c2c(cc(cc2O)O)O",null,"O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O","O=C(c1cc(c(cc1)O)O)c2c(cc(cc2O)O)O",null,"O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O","O=C(c1cc(c(cc1)O)O)c2c(cc(cc2O)O)O",null,"O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O","O=C(c1cc(c(cc1)O)O)c2c(cc(cc2O)O)O"]
[1981,"519-65-3","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1",null,"CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1",null,"CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1",null,"CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1"]
[1982,"521-18-6","CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC(=O)CC4)C)CCC2O",null,"CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC(=O)CC4)C)CCC2O",null,"CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC(=O)CC4)C)CCC2O",null,"CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC(=O)CC4)C)CCC2O"]
[1983,"521-74-4","Oc1c(Br)cc(Br)c2cccnc12","Oc1c2c(c(cc1Br)Br)cccn2",null,"Oc1c(Br)cc(Br)c2cccnc12","Oc1c2c(c(cc1Br)Br)cccn2",null,"Oc1c(Br)cc(Br)c2cccnc12","Oc1c2c(c(cc1Br)Br)cccn2",null,"Oc1c(Br)cc(Br)c2cccnc12","Oc1c2c(c(cc1Br)Br)cccn2"]
[1984,"522-66-7","CCC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",null,"CCC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",null,"CCC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",null,"CCC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4"]
[1985,"524-36-7","Cc1ncc(CO)c(CN)c1O","Cc1c(c(c(cn1)CO)CN)O",null,"Cc1ncc(CO)c(CN)c1O","Cc1c(c(c(cn1)CO)CN)O","[Cl-](2), [H+](2)","Cc1ncc(CO)c(CN)c1O","Cc1c(c(c(cn1)CO)CN)O",null,"Cc1ncc(CO)c(CN)c1O","Cc1c(c(c(cn1)CO)CN)O","Cl(2)"]
[1986,"524-40-3","COc1ccn(C)c(=O)c1C#N","COc1c(c(n(cc1)C)=O)C#N",null,"COc1ccn(C)c(=O)c1C#N","COc1c(c(n(cc1)C)=O)C#N",null,"COc1ccn(C)c(=O)c1C#N","COc1c(c(n(cc1)C)=O)C#N",null,"COc1ccn(C)c(=O)c1C#N","COc1c(c(n(cc1)C)=O)C#N"]
[1987,"525-37-1","O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cccc2c1","O=S(=O)(O)c1cc2c(cc1)c(S(=O)(=O)O)ccc2",null,"O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cccc2c1","O=S(=O)(O)c1cc2c(cc1)c(S(=O)(=O)O)ccc2",null,"O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cccc2c1","O=S(=O)(O)c1cc2c(cc1)c(S(=O)(=O)O)ccc2",null,"O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cccc2c1","O=S(=O)(O)c1cc2c(cc1)c(S(=O)(=O)O)ccc2"]
[1988,"525-66-6","CC(C)NCC(O)COc1cccc2ccccc12","CC(C)NCC(O)COc1c2c(ccc1)cccc2",null,"CC(C)NCC(O)COc1cccc2ccccc12","CC(C)NCC(O)COc1c2c(ccc1)cccc2",null,"CC(C)NCC(O)COc1cccc2ccccc12","CC(C)NCC(O)COc1c2c(ccc1)cccc2",null,"CC(C)NCC(O)COc1cccc2ccccc12","CC(C)NCC(O)COc1c2c(ccc1)cccc2"]
[1989,"526-08-9","Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2n(ncc2)-c3ccccc3",null,"Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2n(ncc2)-c3ccccc3",null,"Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2n(ncc2)-c3ccccc3",null,"Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2n(ncc2)-c3ccccc3"]
[1990,"526-30-7","NC(Cc1[nH]nc2ccccc12)C(=O)O","NC(Cc1c2c(n[nH]1)cccc2)C(=O)O",null,"NC(Cc1[nH]nc2ccccc12)C(=O)O","NC(Cc1c2c(n[nH]1)cccc2)C(=O)O"]
[1991,"526-73-8","Cc1cccc(C)c1C","Cc1c(c(ccc1)C)C",null,"Cc1cccc(C)c1C","Cc1c(c(ccc1)C)C",null,"Cc1cccc(C)c1C","Cc1c(c(ccc1)C)C",null,"Cc1cccc(C)c1C","Cc1c(c(ccc1)C)C"]
[1992,"526-75-0","Cc1cccc(O)c1C","Cc1c(c(ccc1)O)C",null,"Cc1cccc(O)c1C","Cc1c(c(ccc1)O)C",null,"Cc1cccc(O)c1C","Cc1c(c(ccc1)O)C",null,"Cc1cccc(O)c1C","Cc1c(c(ccc1)O)C"]
[1993,"526-83-0","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",null,"O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",null,"O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O"]
[1994,"526-95-4","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO",null,"O=C([O-])C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","[K+](1)","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO",null,"O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO"]
[1995,"526-99-8","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",null,"O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",null,"O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",null,"O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O"]
[1996,"527-00-4","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O"]
[1997,"527-06-0",{"$nulls":3},"OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO"]
[1998,"527-07-1","O=C([O-])C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","[Na+](1)","O=C([O-])C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","[Na+](1)","O=C([O-])C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","[Na+](1)","O=C([O-])C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","[Na+](1)"]
[1999,"527-09-3","O=C([O-])C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C([O-])=O(1), [Cu+2](1)","O=C([O-])C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C([O-])=O(1), [Cu+2](1)","O=C([O-])C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C([O-])=O(1), [Cu+2](1)","O=C([O-])C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C([O-])=O(1), [Cu+2](1)","Organometallic","Organic counterion"]
[2000,"527-60-6","Cc1cc(C)c(O)c(C)c1","Cc1cc(c(c(c1)C)O)C",null,"Cc1cc(C)c(O)c(C)c1","Cc1cc(c(c(c1)C)O)C",null,"Cc1cc(C)c(O)c(C)c1","Cc1cc(c(c(c1)C)O)C",null,"Cc1cc(C)c(O)c(C)c1","Cc1cc(c(c(c1)C)O)C"]
[2001,"527-72-0","O=C(O)c1cccs1","O=C(O)c1sccc1",null,"O=C(O)c1cccs1","O=C(O)c1sccc1",null,"O=C(O)c1cccs1","O=C(O)c1sccc1",null,"O=C(O)c1cccs1","O=C(O)c1sccc1"]
[2002,"527-84-4","Cc1ccccc1C(C)C","Cc1c(cccc1)C(C)C",null,"Cc1ccccc1C(C)C","Cc1c(cccc1)C(C)C",null,"Cc1ccccc1C(C)C","Cc1c(cccc1)C(C)C",null,"Cc1ccccc1C(C)C","Cc1c(cccc1)C(C)C"]
[2003,"528-10-9","O=C(C(=O)c1cc([N+](=O)[O-])ccc1O)c1cc([N+](=O)[O-])ccc1O","O=C(C(=O)c1c(ccc(c1)[N+](=O)[O-])O)c2c(ccc(c2)[N+](=O)[O-])O",{"$nulls":4},"O=C(C(=O)c1cc([N+](=O)[O-])ccc1O)c1cc([N+](=O)[O-])ccc1O","O=C(C(=O)c1c(ccc(c1)[N+](=O)[O-])O)c2c(ccc(c2)[N+](=O)[O-])O",null,"O=C(C(=O)c1cc([N+](=O)[O-])ccc1O)c1cc([N+](=O)[O-])ccc1O","O=C(C(=O)c1c(ccc(c1)[N+](=O)[O-])O)c2c(ccc(c2)[N+](=O)[O-])O"]
[2004,"528-21-2","CC(=O)c1ccc(O)c(O)c1O","CC(=O)c1c(c(c(cc1)O)O)O",null,"CC(=O)c1ccc(O)c(O)c1O","CC(=O)c1c(c(c(cc1)O)O)O",null,"CC(=O)c1ccc(O)c(O)c1O","CC(=O)c1c(c(c(cc1)O)O)O",null,"CC(=O)c1ccc(O)c(O)c1O","CC(=O)c1c(c(c(cc1)O)O)O"]
[2005,"528-29-0","O=[N+]([O-])c1ccccc1[N+](=O)[O-]","O=[N+]([O-])c1c(cccc1)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccccc1[N+](=O)[O-]","O=[N+]([O-])c1c(cccc1)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccccc1[N+](=O)[O-]","O=[N+]([O-])c1c(cccc1)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccccc1[N+](=O)[O-]","O=[N+]([O-])c1c(cccc1)[N+](=O)[O-]"]
[2006,"528-44-9","O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1","O=C(O)c1cc(c(cc1)C(=O)O)C(=O)O",null,"O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1","O=C(O)c1cc(c(cc1)C(=O)O)C(=O)O",null,"O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1","O=C(O)c1cc(c(cc1)C(=O)O)C(=O)O",null,"O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1","O=C(O)c1cc(c(cc1)C(=O)O)C(=O)O"]
[2007,"528-45-0","O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,"O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,"O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,"O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]"]
[2008,"528-46-1","O=C(O)C(=O)c1ccccc1C(=O)O","O=C(O)C(=O)c1c(cccc1)C(=O)O",null,"O=C(O)C(=O)c1ccccc1C(=O)O","O=C(O)C(=O)c1c(cccc1)C(=O)O",null,"O=C(O)C(=O)c1ccccc1C(=O)O","O=C(O)C(=O)c1c(cccc1)C(=O)O",null,"O=C(O)C(=O)c1ccccc1C(=O)O","O=C(O)C(=O)c1c(cccc1)C(=O)O"]
[2009,"528-50-7","OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",null,"OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",null,"O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO","O=CC(O)C(O)C(OC1C(C(C(C(O1)CO)O)O)O)C(O)CO",null,"O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO","O=CC(O)C(O)C(OC1C(C(C(C(O1)CO)O)O)O)C(O)CO"]
[2010,"528-92-7","C=CCC(C(=O)NC(N)=O)C(C)C","C=CCC(C(=O)NC(N)=O)C(C)C",null,"C=CCC(C(=O)NC(N)=O)C(C)C","C=CCC(C(=O)NC(N)=O)C(C)C"]
[2011,"529-37-3","O=c1cc[nH]c2ccccc12","O=c1c2c([nH]cc1)cccc2",null,"O=c1cc[nH]c2ccccc12","O=c1c2c([nH]cc1)cccc2",null,"O=c1cc[nH]c2ccccc12","O=c1c2c([nH]cc1)cccc2"]
[2012,"529-64-6","O=C(O)C(CO)c1ccccc1","O=C(O)C(CO)c1ccccc1",null,"O=C(O)C(CO)c1ccccc1","O=C(O)C(CO)c1ccccc1"]
[2013,"529-86-2","Oc1c2ccccc2cc2ccccc12","Oc1c2c(cc3c1cccc3)cccc2",null,"Oc1c2ccccc2cc2ccccc12","Oc1c2c(cc3c1cccc3)cccc2",null,"Oc1c2ccccc2cc2ccccc12","Oc1c2c(cc3c1cccc3)cccc2",null,"Oc1c2ccccc2cc2ccccc12","Oc1c2c(cc3c1cccc3)cccc2"]
[2014,"530-14-3","CC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1","CC(=O)c1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O",null,"CC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1","CC(=O)c1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O"]
[2015,"530-48-3","C=C(c1ccccc1)c1ccccc1","C=C(c1ccccc1)c2ccccc2",null,"C=C(c1ccccc1)c1ccccc1","C=C(c1ccccc1)c2ccccc2",null,"C=C(c1ccccc1)c1ccccc1","C=C(c1ccccc1)c2ccccc2",null,"C=C(c1ccccc1)c1ccccc1","C=C(c1ccccc1)c2ccccc2"]
[2016,"530-78-9","O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1","O=C(O)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F",null,"O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1","O=C(O)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F",null,"O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1","O=C(O)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F",null,"O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1","O=C(O)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F"]
[2017,"530-97-2","ON=C1CCCCCC1=NO","ON=C1C(CCCCC1)=NO",null,"O=NC1=C(NO)CCCCC1","O=NC=1CCCCCC1NO",null,"ON=C1CCCCCC1=NO","ON=C1C(CCCCC1)=NO",null,"ON=C1CCCCCC1=NO","ON=C1C(CCCCC1)=NO"]
[2018,"531-59-9","COc1ccc2ccc(=O)oc2c1","COc1cc2c(cc1)ccc(=O)o2",null,"COc1ccc2ccc(=O)oc2c1","COc1cc2c(cc1)ccc(=O)o2",null,"COc1ccc2ccc(=O)oc2c1","COc1cc2c(cc1)ccc(=O)o2",null,"COc1ccc2ccc(=O)oc2c1","COc1cc2c(cc1)ccc(=O)o2"]
[2019,"531-81-7","O=C(O)c1cc2ccccc2oc1=O","O=C(O)c1c(oc2c(c1)cccc2)=O",null,"O=C(O)c1cc2ccccc2oc1=O","O=C(O)c1c(oc2c(c1)cccc2)=O",null,"O=C(O)c1cc2ccccc2oc1=O","O=C(O)c1c(oc2c(c1)cccc2)=O",null,"O=C(O)c1cc2ccccc2oc1=O","O=C(O)c1c(oc2c(c1)cccc2)=O"]
[2020,"532-03-6",{"$nulls":3},"COc1ccccc1OCC(O)COC(N)=O","COc1c(cccc1)OCC(O)COC(N)=O",{"$nulls":4},"COc1ccccc1OCC(O)COC(N)=O","COc1c(cccc1)OCC(O)COC(N)=O"]
[2021,"532-32-1","O=C([O-])c1ccccc1","O=C(O)c1ccccc1","[Na+](1)","O=C([O-])c1ccccc1","O=C(O)c1ccccc1","[Na+](1)","O=C([O-])c1ccccc1","O=C(O)c1ccccc1","[Na+](1)","O=C([O-])c1ccccc1","O=C(O)c1ccccc1","[Na+](1)"]
[2022,"532-82-1","Nc1ccc(N=Nc2ccccc2)c(N)c1","Nc1cc(c(cc1)N=Nc2ccccc2)N","C.I(1), [Cl-](1), [H+](1)","Nc1ccc(N=Nc2ccccc2)c(N)c1","Nc1cc(c(cc1)N=Nc2ccccc2)N","C.I(1), [Cl-](1), [H+](1)","Nc1ccc(N=Nc2ccccc2)c(N)c1","Nc1cc(c(cc1)N=Nc2ccccc2)N","C.I(1), Cl(1)","Nc1ccc(N=Nc2ccccc2)c(N)c1","Nc1cc(c(cc1)N=Nc2ccccc2)N","C.I(1), Cl(1)",null,"Organic counterion"]
[2023,"533-17-5","O=C(CCl)Nc1ccccc1","O=C(CCl)Nc1ccccc1",null,"CC(=O)Nc1ccccc1Cl","CC(=O)Nc1c(cccc1)Cl",null,"O=C(CCl)Nc1ccccc1","O=C(CCl)Nc1ccccc1",null,"CC(=O)Nc1ccccc1Cl","CC(=O)Nc1c(cccc1)Cl"]
[2024,"533-23-3","CCOC(=O)COc1ccc(Cl)cc1Cl","CCOC(=O)COc1c(cc(cc1)Cl)Cl",null,"CCOC(=O)COc1ccc(Cl)cc1Cl","CCOC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},"CCOC(=O)COc1ccc(Cl)cc1Cl","CCOC(=O)COc1c(cc(cc1)Cl)Cl"]
[2025,"533-24-4","CCCCCc1ccc(O)cc1O","CCCCCc1c(cc(cc1)O)O",null,"CCCCCc1ccc(O)cc1O","CCCCCc1c(cc(cc1)O)O",null,"CCCCCc1ccc(O)cc1O","CCCCCc1c(cc(cc1)O)O",null,"CCCCCc1ccc(O)cc1O","CCCCCc1c(cc(cc1)O)O"]
[2026,"533-32-4","CC[N-]CCC(=O)CC(C)C","CCNCCC(=O)CC(C)C",null,"CCN(CC)C(=O)CC(C)C","CCN(CC)C(=O)CC(C)C",null,"CCN(CC)C(=O)CC(C)C","CCN(CC)C(=O)CC(C)C",null,"CCN(CC)C(=O)CC(C)C","CCN(CC)C(=O)CC(C)C"]
[2027,"533-74-4",{"$nulls":3},"CN1CSC(=S)N(C)C1","CN1CN(C(SC1)=S)C",null,"CN1CSC(=S)N(C)C1","CN1CN(C(SC1)=S)C",null,"CN1CSC(=S)N(C)C1","CN1CN(C(SC1)=S)C"]
[2028,"534-08-7","OC(CI)CI","OC(CI)CI",null,"OC(CI)CI","OC(CI)CI",null,"OC(CI)CI","OC(CI)CI",null,"OC(CI)CI","OC(CI)CI"]
[2029,"534-13-4","CN(C)C(N)=S","CN(C)C(N)=S",null,"CNC(=S)NC","CNC(=S)NC",null,"CN(C)C(N)=S","CN(C)C(N)=S",null,"CNC(=S)NC","CNC(=S)NC"]
[2030,"534-15-6","COC(C)OC","COC(C)OC",null,"COC(C)OC","COC(C)OC",null,"COC(C)OC","COC(C)OC",null,"COC(C)OC","COC(C)OC"]
[2031,"534-22-5","Cc1ccco1","Cc1occc1",null,"Cc1ccco1","Cc1occc1",null,"Cc1ccco1","Cc1occc1",null,"Cc1ccco1","Cc1occc1"]
[2032,"534-52-1","Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","Cc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",null,"Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","Cc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",null,"Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","Cc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",null,"Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","Cc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O"]
[2033,"534-59-8","CCCCC(C(=O)O)C(=O)O","CCCCC(C(=O)O)C(=O)O",null,"CCCCC(C(=O)O)C(=O)O","CCCCC(C(=O)O)C(=O)O"]
[2034,"535-65-9","CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CC(C)(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",null,"CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CC(C)(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",null,"CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CC(C)(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",null,"CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CC(C)(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N"]
[2035,"535-77-3","Cc1cccc(C(C)C)c1","Cc1cc(ccc1)C(C)C",null,"Cc1cccc(C(C)C)c1","Cc1cc(ccc1)C(C)C",null,"Cc1cccc(C(C)C)c1","Cc1cc(ccc1)C(C)C",null,"Cc1cccc(C(C)C)c1","Cc1cc(ccc1)C(C)C"]
[2036,"535-80-8","O=C(O)c1cccc(Cl)c1","O=C(O)c1cc(ccc1)Cl",null,"O=C(O)c1cccc(Cl)c1","O=C(O)c1cc(ccc1)Cl",null,"O=C(O)c1cccc(Cl)c1","O=C(O)c1cc(ccc1)Cl",null,"O=C(O)c1cccc(Cl)c1","O=C(O)c1cc(ccc1)Cl"]
[2037,"535-87-5","Nc1cc(N)cc(C(=O)O)c1","Nc1cc(cc(c1)N)C(=O)O",null,"[NH3+]c1cc([NH3+])cc(C(=O)O)c1","Nc1cc(cc(c1)N)C(=O)O","[Cl-](2)","Nc1cc(N)cc(C(=O)O)c1","Nc1cc(cc(c1)N)C(=O)O",null,"Nc1cc(N)cc(C(=O)O)c1","Nc1cc(cc(c1)N)C(=O)O"]
[2038,"535-89-7","Cc1cc(N(C)C)nc(Cl)n1","Cc1nc(nc(c1)N(C)C)Cl",null,"Cc1cc(N(C)C)nc(Cl)n1","Cc1nc(nc(c1)N(C)C)Cl",{"$nulls":4},"Cc1cc(N(C)C)nc(Cl)n1","Cc1nc(nc(c1)N(C)C)Cl"]
[2039,"536-08-3","O=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1","O=C(O)c1cc(c(c(c1)O)O)OC(=O)c2cc(c(c(c2)O)O)O",null,"O=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1","O=C(O)c1cc(c(c(c1)O)O)OC(=O)c2cc(c(c(c2)O)O)O"]
[2040,"536-66-3","CC(C)c1ccc(C(=O)O)cc1","CC(C)c1ccc(cc1)C(=O)O",null,"CC(C)c1ccc(C(=O)O)cc1","CC(C)c1ccc(cc1)C(=O)O",null,"CC(C)c1ccc(C(=O)O)cc1","CC(C)c1ccc(cc1)C(=O)O",null,"CC(C)c1ccc(C(=O)O)cc1","CC(C)c1ccc(cc1)C(=O)O"]
[2041,"536-74-3","C#Cc1ccccc1","C#Cc1ccccc1",null,"C#Cc1ccccc1","C#Cc1ccccc1",null,"C#Cc1ccccc1","C#Cc1ccccc1",null,"C#Cc1ccccc1","C#Cc1ccccc1"]
[2042,"536-75-4","CCc1ccncc1","CCc1ccncc1",null,"CCc1ccncc1","CCc1ccncc1",null,"CCc1ccncc1","CCc1ccncc1",null,"CCc1ccncc1","CCc1ccncc1"]
[2043,"536-78-7","CCc1cccnc1","CCc1cnccc1",null,"CCc1cccnc1","CCc1cnccc1",null,"CCc1cccnc1","CCc1cnccc1",null,"CCc1cccnc1","CCc1cnccc1"]
[2044,"536-80-1","O=[IH2]c1ccccc1","O=Ic1ccccc1",null,"O=[IH2]c1ccccc1","O=Ic1ccccc1",null,"O=[IH2]c1ccccc1","O=Ic1ccccc1",null,"O=[IH2]c1ccccc1","O=Ic1ccccc1"]
[2045,"537-26-8","CN1C2CCC1CC(OC(=O)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)c3ccccc3",null,"CN1C2CCC1CC(OC(=O)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)c3ccccc3"]
[2046,"537-45-1","O=C1C(Br)=CC(=NCl)C=C1Br","O=C1C(=CC(C=C1Br)=NCl)Br",null,"O=C1C(Br)=CC(=NCl)C=C1Br","O=C1C(=CC(C=C1Br)=NCl)Br",{"$nulls":4},"O=C1C(Br)=CC(=NCl)C=C1Br","O=C1C(=CC(C=C1Br)=NCl)Br"]
[2047,"537-47-3","NNC(=O)Nc1ccccc1","NNC(=O)Nc1ccccc1",null,"NNC(=O)Nc1ccccc1","NNC(=O)Nc1ccccc1",null,"NNC(=O)Nc1ccccc1","NNC(=O)Nc1ccccc1",null,"NNC(=O)Nc1ccccc1","NNC(=O)Nc1ccccc1"]
[2048,"537-49-5","CNC(Cc1ccc(O)cc1)C(=O)O","CNC(Cc1ccc(cc1)O)C(=O)O",null,"CNC(Cc1ccc(O)cc1)C(=O)O","CNC(Cc1ccc(cc1)O)C(=O)O",null,"CNC(Cc1ccc(O)cc1)C(=O)O","CNC(Cc1ccc(cc1)O)C(=O)O",null,"CNC(Cc1ccc(O)cc1)C(=O)O","CNC(Cc1ccc(cc1)O)C(=O)O"]
[2049,"537-92-8","CC(=O)Nc1cccc(C)c1","CC(=O)Nc1cc(ccc1)C",null,"CC(=O)Nc1cccc(C)c1","CC(=O)Nc1cc(ccc1)C",null,"CC(=O)Nc1cccc(C)c1","CC(=O)Nc1cc(ccc1)C",null,"CC(=O)Nc1cccc(C)c1","CC(=O)Nc1cc(ccc1)C"]
[2050,"538-07-8","CCN(CCCl)CCCl","CCN(CCCl)CCCl",null,"CCN(CCCl)CCCl","CCN(CCCl)CCCl",null,"CCN(CCCl)CCCl","CCN(CCCl)CCCl",null,"CCN(CCCl)CCCl","CCN(CCCl)CCCl"]
[2051,"538-32-9","NC(=O)NCc1ccccc1","NC(=O)NCc1ccccc1",null,"NC(=O)NCc1ccccc1","NC(=O)NCc1ccccc1",null,"NC(=O)NCc1ccccc1","NC(=O)NCc1ccccc1",null,"NC(=O)NCc1ccccc1","NC(=O)NCc1ccccc1"]
[2052,"538-65-8","CCCCOC(=O)C=Cc1ccccc1","CCCCOC(=O)C=Cc1ccccc1",null,"CCCCOC(=O)C=Cc1ccccc1","CCCCOC(=O)C=Cc1ccccc1",null,"CCCCOC(=O)C=Cc1ccccc1","CCCCOC(=O)C=Cc1ccccc1",null,"CCCCOC(=O)C=Cc1ccccc1","CCCCOC(=O)C=Cc1ccccc1"]
[2053,"538-68-1","CCCCCc1ccccc1","CCCCCc1ccccc1",null,"CCCCCc1ccccc1","CCCCCc1ccccc1",null,"CCCCCc1ccccc1","CCCCCc1ccccc1",null,"CCCCCc1ccccc1","CCCCCc1ccccc1"]
[2054,"538-86-3","COCc1ccccc1","COCc1ccccc1",null,"COCc1ccccc1","COCc1ccccc1",null,"COCc1ccccc1","COCc1ccccc1",null,"COCc1ccccc1","COCc1ccccc1"]
[2055,"538-93-2","CC(C)Cc1ccccc1","CC(C)Cc1ccccc1",null,"CC(C)Cc1ccccc1","CC(C)Cc1ccccc1",null,"CC(C)Cc1ccccc1","CC(C)Cc1ccccc1",null,"CC(C)Cc1ccccc1","CC(C)Cc1ccccc1"]
[2056,"539-03-7","CC(=O)Nc1ccc(Cl)cc1","CC(=O)Nc1ccc(cc1)Cl",null,"CC(=O)Nc1ccc(Cl)cc1","CC(=O)Nc1ccc(cc1)Cl",null,"CC(=O)Nc1ccc(Cl)cc1","CC(=O)Nc1ccc(cc1)Cl",null,"CC(=O)Nc1ccc(Cl)cc1","CC(=O)Nc1ccc(cc1)Cl"]
[2057,"539-15-1","CN(C)CCc1ccc(O)cc1","CN(C)CCc1ccc(cc1)O",null,"CN(C)CCc1ccc(O)cc1","CN(C)CCc1ccc(cc1)O","OS(O)(=O)=O(1)","CN(C)CCc1ccc(O)cc1","CN(C)CCc1ccc(cc1)O",null,"CN(C)CCc1ccc(O)cc1","CN(C)CCc1ccc(cc1)O"]
[2058,"539-17-3","CN(C)c1ccc(N=Nc2ccc(N)cc2)cc1","CN(C)c1ccc(cc1)N=Nc2ccc(cc2)N","C.I(1)","CN(C)c1ccc(N=Nc2ccc(N)cc2)cc1","CN(C)c1ccc(cc1)N=Nc2ccc(cc2)N","C.I(1)","CN(C)c1ccc(N=Nc2ccc(N)cc2)cc1","CN(C)c1ccc(cc1)N=Nc2ccc(cc2)N","C.I(1)","CN(C)c1ccc(N=Nc2ccc(N)cc2)cc1","CN(C)c1ccc(cc1)N=Nc2ccc(cc2)N","C.I(1)",null,"Organic counterion"]
[2059,"539-47-9","O=C(O)C=Cc1ccco1","O=C(O)C=Cc1occc1",null,"O=C(O)C=Cc1ccco1","O=C(O)C=Cc1occc1",null,"O=C(O)C=Cc1ccco1","O=C(O)C=Cc1occc1",null,"O=C(O)C=Cc1ccco1","O=C(O)C=Cc1occc1"]
[2060,"539-82-2","CCCCC(=O)OCC","CCCCC(=O)OCC",null,"CCCCC(=O)OCC","CCCCC(=O)OCC",null,"CCCCC(=O)OCC","CCCCC(=O)OCC",null,"CCCCC(=O)OCC","CCCCC(=O)OCC"]
[2061,"539-86-6","C=CCSS(=O)CC=C","C=CCSS(=O)CC=C",null,"C=CCSS(=O)CC=C","C=CCSS(=O)CC=C",null,"C=CCSS(=O)CC=C","C=CCSS(=O)CC=C",null,"C=CCSS(=O)CC=C","C=CCSS(=O)CC=C"]
[2062,"539-89-9","CCOC(=O)NCC(C)C","CCOC(=O)NCC(C)C",null,"CCOC(=O)NCC(C)C","CCOC(=O)NCC(C)C",null,"CCOC(=O)NCC(C)C","CCOC(=O)NCC(C)C",null,"CCOC(=O)NCC(C)C","CCOC(=O)NCC(C)C"]
[2063,"540-18-1","CCCCCOC(=O)CCC","CCCCCOC(=O)CCC",null,"CCCCCOC(=O)CCC","CCCCCOC(=O)CCC",null,"CCCCCOC(=O)CCC","CCCCCOC(=O)CCC",null,"CCCCCOC(=O)CCC","CCCCCOC(=O)CCC"]
[2064,"540-36-3","Fc1ccc(F)cc1","Fc1ccc(cc1)F",null,"Fc1ccc(F)cc1","Fc1ccc(cc1)F",null,"Fc1ccc(F)cc1","Fc1ccc(cc1)F",null,"Fc1ccc(F)cc1","Fc1ccc(cc1)F"]
[2065,"540-42-1","CCC(=O)OCC(C)C","CCC(=O)OCC(C)C",null,"CCC(=O)OCC(C)C","CCC(=O)OCC(C)C",null,"CCC(=O)OCC(C)C","CCC(=O)OCC(C)C",null,"CCC(=O)OCC(C)C","CCC(=O)OCC(C)C"]
[2066,"540-47-6","COC1CC1","COC1CC1",null,"COC1CC1","COC1CC1",null,"COC1CC1","COC1CC1",null,"COC1CC1","COC1CC1"]
[2067,"540-49-8","BrCCBr","BrCCBr",null,"BrC=CBr","BrC=CBr",null,"BrCCBr","BrCCBr",null,"BrC=CBr","BrC=CBr"]
[2068,"540-51-2","OCCBr","OCCBr",null,"OCCBr","OCCBr",null,"OCCBr","OCCBr",null,"OCCBr","OCCBr"]
[2069,"540-54-5","CCCCl","CCCCl",null,"CCCCl","CCCCl",null,"CCCCl","CCCCl",null,"CCCCl","CCCCl"]
[2070,"540-59-0","ClC=CCl","ClC=CCl",null,"ClC=CCl","ClC=CCl",null,"ClC=CCl","ClC=CCl",null,"ClC=CCl","ClC=CCl"]
[2071,"540-67-0","CCOC","CCOC",null,"CCOC","CCOC",null,"CCOC","CCOC",null,"CCOC","CCOC"]
[2072,"540-73-8","CNNC","CNNC",null,"CNNC","CNNC",null,"CNNC","CNNC",null,"CNNC","CNNC"]
[2073,"540-84-1","CC(C)CC(C)(C)C","CC(C)CC(C)(C)C",null,"CC(C)CC(C)(C)C","CC(C)CC(C)(C)C",null,"CC(C)CC(C)(C)C","CC(C)CC(C)(C)C",null,"CC(C)CC(C)(C)C","CC(C)CC(C)(C)C"]
[2074,"540-88-5","CC(=O)OC(C)(C)C","CC(=O)OC(C)(C)C",null,"CC(=O)OC(C)(C)C","CC(=O)OC(C)(C)C",null,"CC(=O)OC(C)(C)C","CC(=O)OC(C)(C)C",null,"CC(=O)OC(C)(C)C","CC(=O)OC(C)(C)C"]
[2075,"540-97-6","C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C",null,"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C",null,"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C",null,"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C"]
[2076,"541-02-6","C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C",null,"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C",null,"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C",null,"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C"]
[2077,"541-09-3",{"$nulls":6},"CC(=O)O[U](=O)(=O)OC(C)=O","CC(=O)O[U](=O)(=O)OC(C)=O",null,"CC(=O)O[U](=O)(=O)OC(C)=O","CC(=O)O[U](=O)(=O)OC(C)=O"]
[2078,"541-25-3",{"$nulls":3},"ClC=C[As](Cl)Cl","ClC=C[As](Cl)Cl",null,"ClC=C[As](Cl)Cl","ClC=C[As](Cl)Cl",null,"ClC=C[As](Cl)Cl","ClC=C[As](Cl)Cl"]
[2079,"541-33-3","CCCC(Cl)Cl","CCCC(Cl)Cl",null,"CCCC(Cl)Cl","CCCC(Cl)Cl",null,"CCCC(Cl)Cl","CCCC(Cl)Cl",null,"CCCC(Cl)Cl","CCCC(Cl)Cl"]
[2080,"541-35-5","CCCC(N)=O","CCCC(N)=O",null,"CCCC(N)=O","CCCC(N)=O",null,"CCCC(N)=O","CCCC(N)=O",null,"CCCC(N)=O","CCCC(N)=O"]
[2081,"541-43-5","[Ba+2]","[Ba+2]","[O-]C=O(2)","[Ba+2]","[Ba+2]","[O-]C=O(2)","[Ba+2]","[Ba+2]","[O-]C=O(2)","[Ba+2]","[Ba+2]","[O-]C=O(2)",null,"Organic counterion"]
[2082,"541-48-0","CC(N)CC(=O)O","CC(N)CC(=O)O",null,"CC(N)CC(=O)O","CC(N)CC(=O)O",null,"CC(N)CC(=O)O","CC(N)CC(=O)O",null,"CC(N)CC(=O)O","CC(N)CC(=O)O"]
[2083,"541-50-4","CC(=O)CC(=O)O","CC(=O)CC(=O)O",null,"CC(=O)CC(=O)O","CC(=O)CC(=O)O",null,"CC(=O)CC(=O)O","CC(=O)CC(=O)O",null,"CC(=O)CC(=O)O","CC(=O)CC(=O)O"]
[2084,"541-53-7","NC(=O)NC(N)=S","NC(=O)NC(N)=S",null,"NC(=S)NC(N)=S","NC(=S)NC(N)=S",null,"NC(=S)NC(N)=S","NC(=S)NC(N)=S",null,"NC(=S)NC(N)=S","NC(=S)NC(N)=S"]
[2085,"541-73-1",{"$nulls":3},"Clc1cccc(Cl)c1","Clc1cc(ccc1)Cl",null,"Clc1cccc(Cl)c1","Clc1cc(ccc1)Cl",null,"Clc1cccc(Cl)c1","Clc1cc(ccc1)Cl"]
[2086,"541-89-9",{"$nulls":6},"CC(N=C(O)C=CC(=O)O)C(=O)O","CC(N=C(O)C=CC(=O)O)C(=O)O",null,"CC(N=C(O)C=CC(=O)O)C(=O)O","CC(N=C(O)C=CC(=O)O)C(=O)O"]
[2087,"541-95-7","CCCC(C)O","CCCC(C)O","NC(O)=O(1)","CCCC(C)OC(N)=O","CCCC(C)OC(N)=O"]
[2088,"541-98-0","CC1=CC(=O)CC(=O)O1","CC=1OC(CC(C1)=O)=O",null,"CC1=CC(=O)CC(=O)O1","CC=1OC(CC(C1)=O)=O",null,"CC1=CC(=O)CC(=O)O1","CC=1OC(CC(C1)=O)=O",null,"CC1=CC(=O)CC(=O)O1","CC=1OC(CC(C1)=O)=O"]
[2089,"542-18-7","ClC1CCCCC1","ClC1CCCCC1",null,"ClC1CCCCC1","ClC1CCCCC1",null,"ClC1CCCCC1","ClC1CCCCC1",null,"ClC1CCCCC1","ClC1CCCCC1"]
[2090,"542-32-5","NC(CCCC(=O)O)C(=O)O","NC(CCCC(=O)O)C(=O)O",null,"NC(CCCC(=O)O)C(=O)O","NC(CCCC(=O)O)C(=O)O",null,"NC(CCCC(=O)O)C(=O)O","NC(CCCC(=O)O)C(=O)O",null,"NC(CCCC(=O)O)C(=O)O","NC(CCCC(=O)O)C(=O)O"]
[2091,"542-55-2","CC(C)COC=O","CC(C)COC=O",null,"CC(C)COC=O","CC(C)COC=O",null,"CC(C)COC=O","CC(C)COC=O",null,"CC(C)COC=O","CC(C)COC=O"]
[2092,"542-69-8","CCCCI","CCCCI",null,"CCCCI","CCCCI",null,"CCCCI","CCCCI",null,"CCCCI","CCCCI"]
[2093,"542-75-6",{"$nulls":3},"ClC=CCCl","ClC=CCCl",null,"ClC=CCCl","ClC=CCCl",null,"ClC=CCCl","ClC=CCCl"]
[2094,"542-88-1","ClCOCCl","ClCOCCl",null,"ClCOCCl","ClCOCCl",null,"ClCOCCl","ClCOCCl",null,"ClCOCCl","ClCOCCl"]
[2095,"542-92-7","C1=CCC=C1","C=1C=CCC1",null,"C1=CCC=C1","C=1C=CCC1",null,"C1=CCC=C1","C=1C=CCC1",null,"C1=CCC=C1","C=1C=CCC1"]
[2096,"543-18-0",{"$nulls":3},"NC(N)=NCCS(=O)(=O)O","NC(N)=NCCS(=O)(=O)O",{"$nulls":4},"NC(N)=NCCS(=O)(=O)O","NC(N)=NCCS(=O)(=O)O"]
[2097,"543-24-8","CC(=O)NCC(=O)O","CC(=O)NCC(=O)O",null,"CC(=O)NCC(=O)O","CC(=O)NCC(=O)O",null,"CC(=O)NCC(=O)O","CC(=O)NCC(=O)O",null,"CC(=O)NCC(=O)O","CC(=O)NCC(=O)O"]
[2098,"543-28-2","CC(C)COC(N)=O","CC(C)COC(N)=O",null,"CC(C)COC(N)=O","CC(C)COC(N)=O",null,"CC(C)COC(N)=O","CC(C)COC(N)=O",null,"CC(C)COC(N)=O","CC(C)COC(N)=O"]
[2099,"543-29-3","CC(C)CO[N+](=O)[O-]","CC(C)CO[N+](=O)[O-]",null,"CC(C)CO[N+](=O)[O-]","CC(C)CO[N+](=O)[O-]",null,"CC(C)CO[N+](=O)[O-]","CC(C)CO[N+](=O)[O-]",null,"CC(C)CO[N+](=O)[O-]","CC(C)CO[N+](=O)[O-]"]
[2100,"543-49-7","CCCCCC(C)O","CCCCCC(C)O",null,"CCCCCC(C)O","CCCCCC(C)O",null,"CCCCCC(C)O","CCCCCC(C)O",null,"CCCCCC(C)O","CCCCCC(C)O"]
[2101,"543-59-9","CCCCCCl","CCCCCCl",null,"CCCCCCl","CCCCCCl",null,"CCCCCCl","CCCCCCl",null,"CCCCCCl","CCCCCCl"]
[2102,"543-80-6","[Ba+2]","[Ba+2]","CC([O-])=O(2)","[Ba+2]","[Ba+2]","CC([O-])=O(2)","[Ba+2]","[Ba+2]","CC([O-])=O(2)","[Ba+2]","[Ba+2]","CC([O-])=O(2)",null,"Organic counterion"]
[2103,"543-86-2",{"$nulls":3},"CC(C)CCOC(N)=O","CC(C)CCOC(N)=O"]
[2104,"543-87-3","CC(C)CCO","CC(C)CCO","O[N+]([O-])=O(1)","CC(C)CCO[N+](=O)[O-]","CC(C)CCO[N+](=O)[O-]",null,"CC(C)CCO[N+](=O)[O-]","CC(C)CCO[N+](=O)[O-]",null,"CC(C)CCO[N+](=O)[O-]","CC(C)CCO[N+](=O)[O-]"]
[2105,"543-94-2","[Sr+2]","[Sr+2]","CC([O-])=O(2)","[Sr+2]","[Sr+2]","CC([O-])=O(2)",{"$nulls":3},"[Sr+2]","[Sr+2]","CC([O-])=O(2)"]
[2106,"544-01-4","CC(C)CCOCCC(C)C","CC(C)CCOCCC(C)C",null,"CC(C)CCOCCC(C)C","CC(C)CCOCCC(C)C",null,"CC(C)CCOCCC(C)C","CC(C)CCOCCC(C)C",null,"CC(C)CCOCCC(C)C","CC(C)CCOCCC(C)C"]
[2107,"544-10-5","CCCCCCCl","CCCCCCCl",null,"CCCCCCCl","CCCCCCCl",null,"CCCCCCCl","CCCCCCCl",null,"CCCCCCCl","CCCCCCCl"]
[2108,"544-13-8","N#CCCCC#N","N#CCCCC#N",null,"N#CCCCC#N","N#CCCCC#N",null,"N#CCCCC#N","N#CCCCC#N",null,"N#CCCCC#N","N#CCCCC#N"]
[2109,"544-25-2","C1=CC=CCC=C1","C=1C=CCC=CC1",null,"C1=CC=CCC=C1","C=1C=CCC=CC1",null,"C1=CC=CCC=C1","C=1C=CCC=CC1",null,"C1=CC=CCC=C1","C=1C=CCC=CC1"]
[2110,"544-63-8","CCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCC(=O)O",null,"CCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCC(=O)O",{"$nulls":4},"CCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCC(=O)O"]
[2111,"544-76-3","CCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCC",null,"CCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCC",null,"CCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCC",null,"CCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCC"]
[2112,"547-44-4","NC(=O)NS(=O)(=O)c1ccc(N)cc1","NC(=O)NS(=O)(=O)c1ccc(cc1)N",null,"NC(=O)NS(=O)(=O)c1ccc(N)cc1","NC(=O)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},"NC(=O)NS(=O)(=O)c1ccc(N)cc1","NC(=O)NS(=O)(=O)c1ccc(cc1)N"]
[2113,"547-52-4",{"$nulls":3},"Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)S(N)(=O)=O"]
[2114,"547-64-8","COC(=O)C(C)O","COC(=O)C(C)O",null,"COC(=O)C(C)O","COC(=O)C(C)O",null,"COC(=O)C(C)O","COC(=O)C(C)O",null,"COC(=O)C(C)O","COC(=O)C(C)O"]
[2115,"547-65-9","C=C1CCOC1=O","C=C1C(OCC1)=O",null,"C=C1CCOC1=O","C=C1C(OCC1)=O",null,"C=C1CCOC1=O","C=C1C(OCC1)=O",null,"C=C1CCOC1=O","C=C1C(OCC1)=O"]
[2116,"547-75-1","CC(CCC(=O)O)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(C(C3O)O)CC(O)CC4)C)CC2)C",null,"CC(CCC(=O)O)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(C(C3O)O)CC(O)CC4)C)CC2)C"]
[2117,"548-00-5","CCOC(=O)C(c1c(O)oc2ccccc2c1=O)c1c(O)oc2ccccc2c1=O","CCOC(=O)C(c1c(c2c(oc1O)cccc2)=O)c3c(c4c(oc3O)cccc4)=O",null,"CCOC(=O)C(c1c(O)oc2ccccc2c1=O)c1c(O)oc2ccccc2c1=O","CCOC(=O)C(c1c(c2c(oc1O)cccc2)=O)c3c(c4c(oc3O)cccc4)=O",null,"CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O","CCOC(=O)C(c1c(oc2c(c1O)cccc2)=O)c3c(oc4c(c3O)cccc4)=O",null,"CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O","CCOC(=O)C(c1c(oc2c(c1O)cccc2)=O)c3c(oc4c(c3O)cccc4)=O"]
[2118,"548-37-8",{"$nulls":3},"COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12","COC(=O)C=1C2C(C(OC1)OC3C(C(C(C(O3)CO)O)O)O)C(C)CC2=O"]
[2119,"548-51-6","Cc1ccc(C(C)C)c(O)c1C(=O)O","Cc1c(c(c(cc1)C(C)C)O)C(=O)O",null,"Cc1ccc(C(C)C)c(O)c1C(=O)O","Cc1c(c(c(cc1)C(C)C)O)C(=O)O",null,"Cc1ccc(C(C)C)c(O)c1C(=O)O","Cc1c(c(c(cc1)C(C)C)O)C(=O)O",null,"Cc1ccc(C(C)C)c(O)c1C(=O)O","Cc1c(c(c(cc1)C(C)C)O)C(=O)O"]
[2120,"549-56-4","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","OS(O)(=O)=O(1)","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","OS(O)(=O)=O(1)","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","[H]C1(CC2CCN1CC2C=C)C(O)c3ccnc4ccc(OC)cc34(1), OS(O)(=O)=O(1)","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","OS(O)(=O)=O(2), O(3)",null,"Organic counterion"]
[2121,"550-23-2","NC(=O)NN=Cc1ccc([N+](=O)[O-])o1","NC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]",null,"c1coc(C2=NC(c3ccco3)C(c3ccco3)N2)c1","c1cc(oc1)C=2NC(C(N2)c3occc3)c4occc4"]
[2122,"550-28-7","C=C(C)Cn1c(N)cc(=O)n(C)c1=O","C=C(C)Cn1c(n(c(cc1N)=O)C)=O",null,"C=C(C)Cn1c(N)cc(=O)n(C)c1=O","C=C(C)Cn1c(n(c(cc1N)=O)C)=O",{"$nulls":4},"C=C(C)Cn1c(N)cc(=O)n(C)c1=O","C=C(C)Cn1c(n(c(cc1N)=O)C)=O"]
[2123,"550-33-4","OCC1OC(n2cnc3cncnc32)C(O)C1O","OCC1C(C(C(O1)n2c3c(nc2)cncn3)O)O",null,"OCC1OC(n2cnc3cncnc32)C(O)C1O","OCC1C(C(C(O1)n2c3c(nc2)cncn3)O)O"]
[2124,"550-60-7","O=[N+]([O-])c1c(O)ccc2ccccc12","O=[N+]([O-])c1c2c(ccc1O)cccc2",null,"O=[N+]([O-])c1c(O)ccc2ccccc12","O=[N+]([O-])c1c2c(ccc1O)cccc2",null,"O=[N+]([O-])c1c(O)ccc2ccccc12","O=[N+]([O-])c1c2c(ccc1O)cccc2",null,"O=[N+]([O-])c1c(O)ccc2ccccc12","O=[N+]([O-])c1c2c(ccc1O)cccc2"]
[2125,"550-74-3","CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1[N+](=O)[O-]","CC=1C(C(N(N1)c2ccc(cc2)[N+](=O)[O-])=O)[N+](=O)[O-]",null,"CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1[N+](=O)[O-]","CC=1C(C(N(N1)c2ccc(cc2)[N+](=O)[O-])=O)[N+](=O)[O-]",{"$nulls":4},"CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1[N+](=O)[O-]","CC=1C(C(N(N1)c2ccc(cc2)[N+](=O)[O-])=O)[N+](=O)[O-]"]
[2126,"551-06-4","S=C=Nc1cccc2ccccc12","S=C=Nc1c2c(ccc1)cccc2",null,"S=C=Nc1cccc2ccccc12","S=C=Nc1c2c(ccc1)cccc2",{"$nulls":4},"S=C=Nc1cccc2ccccc12","S=C=Nc1c2c(ccc1)cccc2"]
[2127,"551-09-7","NCCNc1cccc2ccccc12","NCCNc1c2c(ccc1)cccc2",null,"NCCNc1cccc2ccccc12","NCCNc1c2c(ccc1)cccc2","[Cl-](2), [H+](2)","NCCNc1cccc2ccccc12","NCCNc1c2c(ccc1)cccc2",null,"NCCNc1cccc2ccccc12","NCCNc1c2c(ccc1)cccc2"]
[2128,"551-76-8","Cc1c(Cl)cc(Cl)c(O)c1Cl","Cc1c(c(c(cc1Cl)Cl)O)Cl",null,"Cc1c(Cl)cc(Cl)c(O)c1Cl","Cc1c(c(c(cc1Cl)Cl)O)Cl",null,"Cc1c(Cl)cc(Cl)c(O)c1Cl","Cc1c(c(c(cc1Cl)Cl)O)Cl",null,"Cc1c(Cl)cc(Cl)c(O)c1Cl","Cc1c(c(c(cc1Cl)Cl)O)Cl"]
[2129,"552-16-9","O=C(O)c1ccccc1[N+](=O)[O-]","O=C(O)c1c(cccc1)[N+](=O)[O-]",null,"O=C(O)c1ccccc1[N+](=O)[O-]","O=C(O)c1c(cccc1)[N+](=O)[O-]",null,"O=C(O)c1ccccc1[N+](=O)[O-]","O=C(O)c1c(cccc1)[N+](=O)[O-]",null,"O=C(O)c1ccccc1[N+](=O)[O-]","O=C(O)c1c(cccc1)[N+](=O)[O-]"]
[2130,"552-32-9","O=C(C[N+](=O)[O-])Nc1ccccc1","O=C(C[N+](=O)[O-])Nc1ccccc1",null,"CC(=O)Nc1ccccc1[N+](=O)[O-]","CC(=O)Nc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},"CC(=O)Nc1ccccc1[N+](=O)[O-]","CC(=O)Nc1c(cccc1)[N+](=O)[O-]"]
[2131,"552-58-9","O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21","O=C1c2c(OC(C1)c3cc(c(cc3)O)O)cc(O)cc2O",null,"O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21","O=C1c2c(OC(C1)c3cc(c(cc3)O)O)cc(O)cc2O",null,"O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21","O=C1c2c(OC(C1)c3cc(c(cc3)O)O)cc(O)cc2O",null,"O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21","O=C1c2c(OC(C1)c3cc(c(cc3)O)O)cc(O)cc2O"]
[2132,"552-63-6",{"$nulls":3},"O=C(O)C(CO)c1ccccc1","O=C(O)C(CO)c1ccccc1",null,"O=C(O)C(CO)c1ccccc1","O=C(O)C(CO)c1ccccc1",null,"O=C(O)C(CO)c1ccccc1","O=C(O)C(CO)c1ccccc1"]
[2133,"552-70-5","CN1C2CCCC1CC(=O)C2","CN1C2CCCC1CC(C2)=O",null,"CN1C2CCCC1CC(=O)C2","CN1C2CCCC1CC(C2)=O"]
[2134,"552-89-6","O=Cc1ccccc1[N+](=O)[O-]","O=Cc1c(cccc1)[N+](=O)[O-]",null,"O=Cc1ccccc1[N+](=O)[O-]","O=Cc1c(cccc1)[N+](=O)[O-]",null,"O=Cc1ccccc1[N+](=O)[O-]","O=Cc1c(cccc1)[N+](=O)[O-]",null,"O=Cc1ccccc1[N+](=O)[O-]","O=Cc1c(cccc1)[N+](=O)[O-]"]
[2135,"553-26-4","c1cc(-c2ccncc2)ccn1","c1nccc(c1)-c2ccncc2",null,"c1cc(-c2ccncc2)ccn1","c1nccc(c1)-c2ccncc2",null,"c1cc(-c2ccncc2)ccn1","c1nccc(c1)-c2ccncc2",null,"c1cc(-c2ccncc2)ccn1","c1nccc(c1)-c2ccncc2"]
[2136,"553-53-7","NNC(=O)c1cccnc1","NNC(=O)c1cnccc1",null,"NNC(=O)c1cccnc1","NNC(=O)c1cnccc1",null,"NNC(=O)c1cccnc1","NNC(=O)c1cnccc1",null,"NNC(=O)c1cccnc1","NNC(=O)c1cnccc1"]
[2137,"553-79-7","CCCOc1ccc([N+](=O)[O-])cc1N","CCCOc1c(cc(cc1)[N+](=O)[O-])N",null,"CCCOc1ccc([N+](=O)[O-])cc1N","CCCOc1c(cc(cc1)[N+](=O)[O-])N",null,"CCCOc1ccc([N+](=O)[O-])cc1N","CCCOc1c(cc(cc1)[N+](=O)[O-])N",null,"CCCOc1ccc([N+](=O)[O-])cc1N","CCCOc1c(cc(cc1)[N+](=O)[O-])N"]
[2138,"553-90-2","COC(=O)C(=O)[O-]","COC(=O)C(=O)O",null,"COC(=O)C(=O)OC","COC(=O)C(=O)OC",null,"COC(=O)C(=O)OC","COC(=O)C(=O)OC",null,"COC(=O)C(=O)OC","COC(=O)C(=O)OC"]
[2139,"554-00-7","Nc1ccc(Cl)cc1Cl","Nc1c(cc(cc1)Cl)Cl",null,"Nc1ccc(Cl)cc1Cl","Nc1c(cc(cc1)Cl)Cl",null,"Nc1ccc(Cl)cc1Cl","Nc1c(cc(cc1)Cl)Cl",null,"Nc1ccc(Cl)cc1Cl","Nc1c(cc(cc1)Cl)Cl"]
[2140,"554-01-8","Cc1c[nH]c(=O)nc1N","Cc1c(nc([nH]c1)=O)N",null,"Cc1cnc(=O)[nH]c1N","Cc1c([nH]c(nc1)=O)N",null,"Cc1cnc(=O)[nH]c1N","Cc1c([nH]c(nc1)=O)N",null,"Cc1cnc(=O)[nH]c1N","Cc1c([nH]c(nc1)=O)N"]
[2141,"554-12-1","CCC(=O)OC","CCC(=O)OC",null,"CCC(=O)OC","CCC(=O)OC",null,"CCC(=O)OC","CCC(=O)OC",null,"CCC(=O)OC","CCC(=O)OC"]
[2142,"554-57-4","CC(=O)N=c1sc(S(N)(=O)=O)nn1C","CC(=O)N=c1n(nc(s1)S(N)(=O)=O)C",null,"CC(=O)N=c1sc(S(N)(=O)=O)nn1C","CC(=O)N=c1n(nc(s1)S(N)(=O)=O)C",null,"CC(=O)N=c1sc(S(N)(=O)=O)nn1C","CC(=O)N=c1n(nc(s1)S(N)(=O)=O)C",null,"CC(=O)N=c1sc(S(N)(=O)=O)nn1C","CC(=O)N=c1n(nc(s1)S(N)(=O)=O)C"]
[2143,"554-84-7","O=[N+]([O-])c1cccc(O)c1","O=[N+]([O-])c1cc(ccc1)O",null,"O=[N+]([O-])c1cccc(O)c1","O=[N+]([O-])c1cc(ccc1)O",null,"O=[N+]([O-])c1cccc(O)c1","O=[N+]([O-])c1cc(ccc1)O",null,"O=[N+]([O-])c1cccc(O)c1","O=[N+]([O-])c1cc(ccc1)O"]
[2144,"554-95-0","O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O",null,"O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O",null,"O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O",null,"O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O"]
[2145,"555-03-3","COc1cccc([N+](=O)[O-])c1","COc1cc(ccc1)[N+](=O)[O-]",null,"COc1cccc([N+](=O)[O-])c1","COc1cc(ccc1)[N+](=O)[O-]",null,"COc1cccc([N+](=O)[O-])c1","COc1cc(ccc1)[N+](=O)[O-]",null,"COc1cccc([N+](=O)[O-])c1","COc1cc(ccc1)[N+](=O)[O-]"]
[2146,"555-16-8","O=Cc1ccc([N+](=O)[O-])cc1","O=Cc1ccc(cc1)[N+](=O)[O-]",null,"O=Cc1ccc([N+](=O)[O-])cc1","O=Cc1ccc(cc1)[N+](=O)[O-]",null,"O=Cc1ccc([N+](=O)[O-])cc1","O=Cc1ccc(cc1)[N+](=O)[O-]",null,"O=Cc1ccc([N+](=O)[O-])cc1","O=Cc1ccc(cc1)[N+](=O)[O-]"]
[2147,"555-30-6","COC(=O)C(N)Cc1ccc(O)c(O)c1","COC(=O)C(N)Cc1cc(c(cc1)O)O",null,"CC(N)(Cc1ccc(O)c(O)c1)C(=O)O","CC(N)(Cc1cc(c(cc1)O)O)C(=O)O",null,"CC(N)(Cc1ccc(O)c(O)c1)C(=O)O","CC(N)(Cc1cc(c(cc1)O)O)C(=O)O",null,"CC(N)(Cc1ccc(O)c(O)c1)C(=O)O","CC(N)(Cc1cc(c(cc1)O)O)C(=O)O"]
[2148,"555-37-3","CCCCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CCCCN(C)C(=O)Nc1cc(c(cc1)Cl)Cl",null,"CCCCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CCCCN(C)C(=O)Nc1cc(c(cc1)Cl)Cl",null,"CCCCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CCCCN(C)C(=O)Nc1cc(c(cc1)Cl)Cl",null,"CCCCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CCCCN(C)C(=O)Nc1cc(c(cc1)Cl)Cl"]
[2149,"555-59-9","O=C(O)C=CC(=O)Nc1ccccc1","O=C(O)C=CC(=O)Nc1ccccc1",null,"O=C(O)C=CC(=O)Nc1ccccc1","O=C(O)C=CC(=O)Nc1ccccc1",null,"O=C(O)C=CC(O)=Nc1ccccc1","O=C(O)C=CC(O)=Nc1ccccc1",null,"O=C(O)C=CC(O)=Nc1ccccc1","O=C(O)C=CC(O)=Nc1ccccc1"]
[2150,"555-77-1","ClCCN(CCCl)CCCl","ClCCN(CCCl)CCCl",null,"ClCCN(CCCl)CCCl","ClCCN(CCCl)CCCl","[Cl-](1), [H+](1)","ClCCN(CCCl)CCCl","ClCCN(CCCl)CCCl",null,"ClCCN(CCCl)CCCl","ClCCN(CCCl)CCCl"]
[2151,"555-84-0","O=C1NCCN1N=Cc1ccc([N+](=O)[O-])o1","O=C1N(CCN1)N=Cc2oc(cc2)[N+](=O)[O-]",null,"O=C1NCCN1N=Cc1ccc([N+](=O)[O-])o1","O=C1N(CCN1)N=Cc2oc(cc2)[N+](=O)[O-]",null,"O=C1NCCN1N=Cc1ccc([N+](=O)[O-])o1","O=C1N(CCN1)N=Cc2oc(cc2)[N+](=O)[O-]",null,"O=C1NCCN1N=Cc1ccc([N+](=O)[O-])o1","O=C1N(CCN1)N=Cc2oc(cc2)[N+](=O)[O-]"]
[2152,"555-96-4","NNCc1ccccc1","NNCc1ccccc1",null,"NNCc1ccccc1","NNCc1ccccc1","[Cl-](1), [H+](1)","NNCc1ccccc1","NNCc1ccccc1",null,"NNCc1ccccc1","NNCc1ccccc1"]
[2153,"556-02-5","NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",null,"NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",null,"NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",null,"NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O"]
[2154,"556-03-6","NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",null,"NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O"]
[2155,"556-33-2","NCC(=O)NCC(=O)NCC(=O)O","NCC(=O)NCC(=O)NCC(=O)O",null,"NCC(=O)NCC(=O)NCC(=O)O","NCC(=O)NCC(=O)NCC(=O)O",{"$nulls":4},"NCC(=O)NCC(=O)NCC(=O)O","NCC(=O)NCC(=O)NCC(=O)O"]
[2156,"556-38-7","CCCCC(=O)[O-]","CCCCC(=O)O","CCCCC([O-])=O(1), [Zn+2](1)","CCCCC(=O)[O-]","CCCCC(=O)O","CCCCC([O-])=O(1), [Zn+2](1)",{"$nulls":3},"CCCCC(=O)[O-]","CCCCC(=O)O","CCCCC([O-])=O(1), [Zn+2](1)"]
[2157,"556-50-3",{"$nulls":3},"NCC(=O)NCC(=O)O","NCC(=O)NCC(=O)O","[Cl-](1), [H+](1)",{"$nulls":3},"NCC(=O)NCC(=O)O","NCC(=O)NCC(=O)O"]
[2158,"556-52-5","OCC1CO1","OCC1OC1",null,"OCC1CO1","OCC1OC1",null,"OCC1CO1","OCC1OC1",null,"OCC1CO1","OCC1OC1"]
[2159,"556-61-6","CN=C=S","CN=C=S",null,"CN=C=S","CN=C=S",null,"CN=C=S","CN=C=S",null,"CN=C=S","CN=C=S"]
[2160,"556-67-2","C[SiH2]O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[SiH2]O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C",null,"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)C",{"$nulls":4},"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)C"]
[2161,"556-88-7","N=C(N)N[N+](=O)[O-]","N=C(N)N[N+](=O)[O-]",null,"NC(N)=N[N+](=O)[O-]","NC(N)=N[N+](=O)[O-]",null,"N=C(N)N[N+](=O)[O-]","N=C(N)N[N+](=O)[O-]",null,"N=C(N)N[N+](=O)[O-]","N=C(N)N[N+](=O)[O-]"]
[2162,"557-01-7","O=c1nccc[nH]1","O=c1[nH]cccn1",null,"O=c1nccc[nH]1","O=c1[nH]cccn1",{"$nulls":4},"O=c1nccc[nH]1","O=c1[nH]cccn1"]
[2163,"557-17-5","CCCOC","CCCOC",null,"CCCOC","CCCOC",null,"CCCOC","CCCOC",null,"CCCOC","CCCOC"]
[2164,"557-25-5","CCCC(=O)OCC(O)CO","CCCC(=O)OCC(O)CO",null,"CCCC(=O)OCC(O)CO","CCCC(=O)OCC(O)CO",null,"CCCC(=O)OCC(O)CO","CCCC(=O)OCC(O)CO",null,"CCCC(=O)OCC(O)CO","CCCC(=O)OCC(O)CO"]
[2165,"557-28-8","CCC(=O)[O-]","CCC(=O)O","CCC([O-])=O(1), [Zn+2](1)","CCC(=O)[O-]","CCC(=O)O","CCC([O-])=O(1), [Zn+2](1)","CCC(=O)[O-]","CCC(=O)O","CCC([O-])=O(1), [Zn+2](1)","CCC(=O)[O-]","CCC(=O)O","CCC([O-])=O(1), [Zn+2](1)",null,"Organic counterion"]
[2166,"557-34-6","[Zn+2]","[Zn+2]","CC([O-])=O(2)","[Zn+2]","[Zn+2]","CC([O-])=O(2)","[Zn+2]","[Zn+2]","CC([O-])=O(2)","[Zn+2]","[Zn+2]","CC([O-])=O(2)",null,"Organic counterion"]
[2167,"557-40-4","C=CCOCC=C","C=CCOCC=C",null,"C=CCOCC=C","C=CCOCC=C",null,"C=CCOCC=C","C=CCOCC=C",null,"C=CCOCC=C","C=CCOCC=C"]
[2168,"557-41-5","[Zn+2]","[Zn+2]","[O-]C=O(2)","[Zn+2]","[Zn+2]","[O-]C=O(2)","[Zn+2]","[Zn+2]","[O-]C=O(2)","[Zn+2]","[Zn+2]","[O-]C=O(2)",null,"Organic counterion"]
[2169,"558-13-4","BrC(Br)(Br)Br","BrC(Br)(Br)Br",null,"BrC(Br)(Br)Br","BrC(Br)(Br)Br",null,"BrC(Br)(Br)Br","BrC(Br)(Br)Br",null,"BrC(Br)(Br)Br","BrC(Br)(Br)Br"]
[2170,"558-25-8","CS(=O)(=O)F","CS(=O)(=O)F",null,"CS(=O)(=O)F","CS(=O)(=O)F",null,"CS(=O)(=O)F","CS(=O)(=O)F",null,"CS(=O)(=O)F","CS(=O)(=O)F"]
[2171,"558-30-5","CC1(C)CO1","CC1(OC1)C",null,"CC1(C)CO1","CC1(OC1)C",null,"CC1(C)CO1","CC1(OC1)C",null,"CC1(C)CO1","CC1(OC1)C"]
[2172,"558-42-9","CC(C)(O)CCl","CC(C)(O)CCl",null,"CC(C)(O)CCl","CC(C)(O)CCl",null,"CC(C)(O)CCl","CC(C)(O)CCl",null,"CC(C)(O)CCl","CC(C)(O)CCl"]
[2173,"560-95-2","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]",null,"O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]",null,"O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]",null,"O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]"]
[2174,"561-27-3","CC(=O)Oc1ccc2c3c1OC1C(OC(C)=O)C=CC4C(C2)N(C)CCC341","CC(=O)Oc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)OC(C)=O",null,"CC(=O)Oc1ccc2c3c1OC1C(OC(C)=O)C=CC4C(C2)N(C)CCC341","CC(=O)Oc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)OC(C)=O",null,"CC(=O)Oc1ccc2c3c1OC1C(OC(C)=O)C=CC4C(C2)N(C)CCC341","CC(=O)Oc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)OC(C)=O",null,"CC(=O)Oc1ccc2c3c1OC1C(OC(C)=O)C=CC4C(C2)N(C)CCC341","CC(=O)Oc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)OC(C)=O"]
[2175,"562-49-2","CCC(C)(C)CC","CCC(C)(C)CC",null,"CCC(C)(C)CC","CCC(C)(C)CC",null,"CCC(C)(C)CC","CCC(C)(C)CC",null,"CCC(C)(C)CC","CCC(C)(C)CC"]
[2176,"563-12-2","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC",null,"CCOP(=S)(OCC)SCSP(=S)(OCC)OCC","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC",null,"CCOP(=S)(OCC)SCSP(=S)(OCC)OCC","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC",null,"CCOP(=S)(OCC)SCSP(=S)(OCC)OCC","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC"]
[2177,"563-45-1","C=CC(C)C","C=CC(C)C",null,"C=CC(C)C","C=CC(C)C",null,"C=CC(C)C","C=CC(C)C",null,"C=CC(C)C","C=CC(C)C"]
[2178,"563-46-2","C=C(C)CC","C=C(C)CC",null,"C=C(C)CC","C=C(C)CC",null,"C=C(C)CC","C=C(C)CC",null,"C=C(C)CC","C=C(C)CC"]
[2179,"563-47-3","C=C(C)CCl","C=C(C)CCl",null,"C=C(C)CCl","C=C(C)CCl",{"$nulls":4},"C=C(C)CCl","C=C(C)CCl"]
[2180,"563-54-2","CC(Cl)=CCl","CC(Cl)=CCl",null,"CC(Cl)=CCl","CC(Cl)=CCl",null,"CC(Cl)=CCl","CC(Cl)=CCl"]
[2181,"563-80-4","CC(=O)C(C)C","CC(=O)C(C)C",null,"CC(=O)C(C)C","CC(=O)C(C)C",null,"CC(=O)C(C)C","CC(=O)C(C)C",null,"CC(=O)C(C)C","CC(=O)C(C)C"]
[2182,"563-84-8","CC(O)C(C)Cl","CC(O)C(C)Cl",null,"CC(O)C(C)Cl","CC(O)C(C)Cl",null,"CC(O)C(C)Cl","CC(O)C(C)Cl",null,"CC(O)C(C)Cl","CC(O)C(C)Cl"]
[2183,"564-00-1","C1OC1C1CO1","C1C(O1)C2OC2",null,"C1OC1C1CO1","C1C(O1)C2OC2",null,"C1OC1C1CO1","C1C(O1)C2OC2"]
[2184,"564-02-3","CCC(C)C(C)(C)C","CCC(C)C(C)(C)C",null,"CCC(C)C(C)(C)C","CCC(C)C(C)(C)C",null,"CCC(C)C(C)(C)C","CCC(C)C(C)(C)C",null,"CCC(C)C(C)(C)C","CCC(C)C(C)(C)C"]
[2185,"564-25-0","CC1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(=O)C(=C(N)O)C(=O)C(N(C)C)C3C(O)C21","CC1C2C(=C(c3c1cccc3O)O)C(=O)C4(C(C(C(C(C4=O)=C(N)O)=O)N(C)C)C2O)O",null,"CC1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(=O)C(=C(N)O)C(=O)C(N(C)C)C3C(O)C21","CC1C2C(=C(c3c1cccc3O)O)C(=O)C4(C(C(C(C(C4=O)=C(N)O)=O)N(C)C)C2O)O","[Cl-](1), O(2), [H+](1)","CC1c2cccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C21","CC1C2C(C(c3c1cccc3O)=O)=C(O)C4(C(C(C(=C(C4=O)C(N)=O)O)N(C)C)C2O)O",null,"CC1c2cccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C21","CC1C2C(C(c3c1cccc3O)=O)=C(O)C4(C(C(C(=C(C4=O)C(N)=O)O)N(C)C)C2O)O"]
[2186,"565-07-1"]
[2187,"565-20-8","CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N",null,"CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N",{"$nulls":4},"CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N"]
[2188,"565-50-4","CC1(O)CCC(C(C)(C)O)CC1","CC1(CCC(CC1)C(C)(C)O)O"]
[2189,"565-59-3","CCC(C)C(C)C","CCC(C)C(C)C",null,"CCC(C)C(C)C","CCC(C)C(C)C",null,"CCC(C)C(C)C","CCC(C)C(C)C",null,"CCC(C)C(C)C","CCC(C)C(C)C"]
[2190,"565-60-6","CCC(C)C(C)O","CCC(C)C(C)O",null,"CCC(C)C(C)O","CCC(C)C(C)O"]
[2191,"565-61-7","CCC(C)C(C)=O","CCC(C)C(C)=O",null,"CCC(C)C(C)=O","CCC(C)C(C)=O",null,"CCC(C)C(C)=O","CCC(C)C(C)=O",null,"CCC(C)C(C)=O","CCC(C)C(C)=O"]
[2192,"565-67-3","CCC(O)C(C)C","CCC(O)C(C)C",null,"CCC(O)C(C)C","CCC(O)C(C)C"]
[2193,"565-69-5","CCC(=O)C(C)C","CCC(=O)C(C)C",null,"CCC(=O)C(C)C","CCC(=O)C(C)C",null,"CCC(=O)C(C)C","CCC(=O)C(C)C",null,"CCC(=O)C(C)C","CCC(=O)C(C)C"]
[2194,"565-71-9","NCC(O)C(=O)O","NCC(O)C(=O)O",null,"NCC(O)C(=O)O","NCC(O)C(=O)O"]
[2195,"565-74-2","CC(C)C(Br)C(=O)O","CC(C)C(Br)C(=O)O",null,"CC(C)C(Br)C(=O)O","CC(C)C(Br)C(=O)O",null,"CC(C)C(Br)C(=O)O","CC(C)C(Br)C(=O)O",null,"CC(C)C(Br)C(=O)O","CC(C)C(Br)C(=O)O"]
[2196,"565-75-3","CC(C)C(C)C(C)C","CC(C)C(C)C(C)C",null,"CC(C)C(C)C(C)C","CC(C)C(C)C(C)C",null,"CC(C)C(C)C(C)C","CC(C)C(C)C(C)C",null,"CC(C)C(C)C(C)C","CC(C)C(C)C(C)C"]
[2197,"565-80-0","CC(C)C(=O)C(C)C","CC(C)C(=O)C(C)C",null,"CC(C)C(=O)C(C)C","CC(C)C(=O)C(C)C",null,"CC(C)C(=O)C(C)C","CC(C)C(=O)C(C)C",null,"CC(C)C(=O)C(C)C","CC(C)C(=O)C(C)C"]
[2198,"565-81-1","CC(N)C(O)C(=O)O","CC(N)C(O)C(=O)O",{"$nulls":4},"CC(N)C(O)C(=O)O","CC(N)C(O)C(=O)O",null,"CC(N)C(O)C(=O)O","CC(N)C(O)C(=O)O"]
[2199,"568-53-6","COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1O","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)O",null,"COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1O","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)O",null,"COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1O","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)O",null,"COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1O","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)O"]
[2200,"569-31-3","COc1ccc2c(c1OC)C(=O)OC2","COc1c(c2c(cc1)COC2=O)OC",null,"COc1ccc2c(c1OC)C(=O)OC2","COc1c(c2c(cc1)COC2=O)OC",null,"COc1ccc2c(c1OC)C(=O)OC2","COc1c(c2c(cc1)COC2=O)OC",null,"COc1ccc2c(c1OC)C(=O)OC2","COc1c(c2c(cc1)COC2=O)OC"]
[2201,"569-51-7","O=C(O)c1cccc(C(=O)O)c1C(=O)O","O=C(O)c1c(c(ccc1)C(=O)O)C(=O)O",null,"O=C(O)c1cccc(C(=O)O)c1C(=O)O","O=C(O)c1c(c(ccc1)C(=O)O)C(=O)O",null,"O=C(O)c1cccc(C(=O)O)c1C(=O)O","O=C(O)c1c(c(ccc1)C(=O)O)C(=O)O"]
[2202,"570-22-9","O=C(O)c1nc[nH]c1C(=O)O","O=C(O)c1c([nH]cn1)C(=O)O",null,"O=C(O)c1nc[nH]c1C(=O)O","O=C(O)c1c([nH]cn1)C(=O)O",null,"O=C(O)c1nc[nH]c1C(=O)O","O=C(O)c1c([nH]cn1)C(=O)O",null,"O=C(O)c1nc[nH]c1C(=O)O","O=C(O)c1c([nH]cn1)C(=O)O"]
[2203,"571-58-4","Cc1ccc(C)c2ccccc12","Cc1c2c(c(cc1)C)cccc2",null,"Cc1ccc(C)c2ccccc12","Cc1c2c(c(cc1)C)cccc2",null,"Cc1ccc(C)c2ccccc12","Cc1c2c(c(cc1)C)cccc2",null,"Cc1ccc(C)c2ccccc12","Cc1c2c(c(cc1)C)cccc2"]
[2204,"571-61-9","Cc1cccc2c(C)cccc12","Cc1c2c(ccc1)c(C)ccc2",null,"Cc1cccc2c(C)cccc12","Cc1c2c(ccc1)c(C)ccc2",null,"Cc1cccc2c(C)cccc12","Cc1c2c(ccc1)c(C)ccc2",null,"Cc1cccc2c(C)cccc12","Cc1c2c(ccc1)c(C)ccc2"]
[2205,"573-35-3","O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O","O=P(O)(O)OC1C(C(C(C(C1O)O)O)O)O",null,"O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O","O=P(O)(O)OC1C(C(C(C(C1O)O)O)O)O",null,"O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O","O=P(O)(O)OC1C(C(C(C(C1O)O)O)O)O",null,"O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O","O=P(O)(O)OC1C(C(C(C(C1O)O)O)O)O"]
[2206,"573-56-8","O=[N+]([O-])c1cccc([N+](=O)[O-])c1O","O=[N+]([O-])c1c(c(ccc1)[N+](=O)[O-])O",null,"O=[N+]([O-])c1cccc([N+](=O)[O-])c1O","O=[N+]([O-])c1c(c(ccc1)[N+](=O)[O-])O",null,"O=[N+]([O-])c1cccc([N+](=O)[O-])c1O","O=[N+]([O-])c1c(c(ccc1)[N+](=O)[O-])O",null,"O=[N+]([O-])c1cccc([N+](=O)[O-])c1O","O=[N+]([O-])c1c(c(ccc1)[N+](=O)[O-])O"]
[2207,"573-89-7","O=C1C=Cc2ccccc2C1=NNc1ccc(S(=O)(=O)O)cc1","O=C1C(c2c(C=C1)cccc2)=NNc3ccc(cc3)S(=O)(=O)O","C.I(1)","O=C1C=Cc2ccccc2C1=NNc1ccc(S(=O)(=O)O)cc1","O=C1C(c2c(C=C1)cccc2)=NNc3ccc(cc3)S(=O)(=O)O","C.I(1)",{"$nulls":3},"O=S(=O)(O)c1ccc(N=Nc2c(O)ccc3ccccc23)cc1","O=S(=O)(O)c1ccc(cc1)N=Nc2c3c(ccc2O)cccc3","C.I(1)"]
[2208,"575-41-7",{"$nulls":3},"Cc1cc(C)c2ccccc2c1","Cc1cc2c(c(c1)C)cccc2",null,"Cc1cc(C)c2ccccc2c1","Cc1cc2c(c(c1)C)cccc2",null,"Cc1cc(C)c2ccccc2c1","Cc1cc2c(c(c1)C)cccc2"]
[2209,"575-82-6","COCOC(=O)c1ccccc1O","COCOC(=O)c1c(cccc1)O",null,"COCOC(=O)c1ccccc1O","COCOC(=O)c1c(cccc1)O",null,"COCOC(=O)c1ccccc1O","COCOC(=O)c1c(cccc1)O",null,"COCOC(=O)c1ccccc1O","COCOC(=O)c1c(cccc1)O"]
[2210,"575-89-3","O=C(O)COc1c(Cl)cc(Cl)cc1Cl","O=C(O)COc1c(cc(cc1Cl)Cl)Cl",null,"O=C(O)COc1c(Cl)cc(Cl)cc1Cl","O=C(O)COc1c(cc(cc1Cl)Cl)Cl",null,"O=C(O)COc1c(Cl)cc(Cl)cc1Cl","O=C(O)COc1c(cc(cc1Cl)Cl)Cl",null,"O=C(O)COc1c(Cl)cc(Cl)cc1Cl","O=C(O)COc1c(cc(cc1Cl)Cl)Cl"]
[2211,"576-24-9","Oc1cccc(Cl)c1Cl","Oc1c(c(ccc1)Cl)Cl",null,"Oc1cccc(Cl)c1Cl","Oc1c(c(ccc1)Cl)Cl",null,"Oc1cccc(Cl)c1Cl","Oc1c(c(ccc1)Cl)Cl",null,"Oc1cccc(Cl)c1Cl","Oc1c(c(ccc1)Cl)Cl"]
[2212,"576-26-1","Cc1cccc(C)c1O","Cc1c(c(ccc1)C)O",null,"Cc1cccc(C)c1O","Cc1c(c(ccc1)C)O",null,"Cc1cccc(C)c1O","Cc1c(c(ccc1)C)O",null,"Cc1cccc(C)c1O","Cc1c(c(ccc1)C)O"]
[2213,"577-58-2","O=C(O)C1CCNCC1C(=O)O","O=C(O)C1C(CNCC1)C(=O)O",{"$nulls":4},"O=C(O)C1CCNCC1C(=O)O","O=C(O)C1C(CNCC1)C(=O)O",null,"O=C(O)C1CCNCC1C(=O)O","O=C(O)C1C(CNCC1)C(=O)O"]
[2214,"577-66-2",{"$nulls":3},"CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C","CCOc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",{"$nulls":4},"CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C","CCOc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C"]
[2215,"577-71-9","O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]","O=[N+]([O-])c1c(cc(cc1)O)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]","O=[N+]([O-])c1c(cc(cc1)O)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]","O=[N+]([O-])c1c(cc(cc1)O)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]","O=[N+]([O-])c1c(cc(cc1)O)[N+](=O)[O-]"]
[2216,"578-06-3","Nc1cccc2nc3ccccc3cc12","Nc1c2c(ccc1)nc3c(cccc3)c2",null,"Nc1cccc2nc3ccccc3cc12","Nc1c2c(ccc1)nc3c(cccc3)c2",null,"Nc1cccc2cc3ccccc3nc12","Nc1c2c(ccc1)cc3c(cccc3)n2",null,"Nc1cccc2nc3ccccc3cc12","Nc1c2c(ccc1)nc3c(cccc3)c2"]
[2217,"578-67-6","Oc1cccc2ncccc12","Oc1c2c(ccc1)nccc2",null,"[O-]c1cccc2[nH+]cccc12","Oc1c2c(ccc1)nccc2"]
[2218,"579-07-7","CC(=O)C(=O)c1ccccc1","CC(=O)C(=O)c1ccccc1",null,"CC(=O)C(=O)c1ccccc1","CC(=O)C(=O)c1ccccc1",null,"CC(=O)C(=O)c1ccccc1","CC(=O)C(=O)c1ccccc1",null,"CC(=O)C(=O)c1ccccc1","CC(=O)C(=O)c1ccccc1"]
[2219,"579-10-2","CC(=O)N(C)c1ccccc1","CC(=O)N(C)c1ccccc1",null,"CC(=O)N(C)c1ccccc1","CC(=O)N(C)c1ccccc1",null,"CC(=O)N(C)c1ccccc1","CC(=O)N(C)c1ccccc1",null,"CC(=O)N(C)c1ccccc1","CC(=O)N(C)c1ccccc1"]
[2220,"579-43-1","OC(c1ccccc1)C(O)c1ccccc1","OC(c1ccccc1)C(O)c2ccccc2",null,"OC(c1ccccc1)C(O)c1ccccc1","OC(c1ccccc1)C(O)c2ccccc2"]
[2221,"579-44-2","O=C(c1ccccc1)C(O)c1ccccc1","O=C(c1ccccc1)C(O)c2ccccc2",null,"O=C(c1ccccc1)C(O)c1ccccc1","O=C(c1ccccc1)C(O)c2ccccc2",null,"O=C(c1ccccc1)C(O)c1ccccc1","O=C(c1ccccc1)C(O)c2ccccc2",null,"O=C(c1ccccc1)C(O)c1ccccc1","O=C(c1ccccc1)C(O)c2ccccc2"]
[2222,"579-66-8","CCc1cccc(CC)c1N","CCc1c(c(ccc1)CC)N",null,"CCc1cccc(CC)c1N","CCc1c(c(ccc1)CC)N",null,"CCc1cccc(CC)c1N","CCc1c(c(ccc1)CC)N",null,"CCc1cccc(CC)c1N","CCc1c(c(ccc1)CC)N"]
[2223,"579-75-9","COOC(=O)c1ccccc1","COOC(=O)c1ccccc1",null,"COc1ccccc1C(=O)O","COc1c(cccc1)C(=O)O",null,"COc1ccccc1C(=O)O","COc1c(cccc1)C(=O)O",null,"COc1ccccc1C(=O)O","COc1c(cccc1)C(=O)O"]
[2224,"580-13-2","Brc1ccc2ccccc2c1","Brc1cc2c(cc1)cccc2",null,"Brc1ccc2ccccc2c1","Brc1cc2c(cc1)cccc2",null,"Brc1ccc2ccccc2c1","Brc1cc2c(cc1)cccc2",null,"Brc1ccc2ccccc2c1","Brc1cc2c(cc1)cccc2"]
[2225,"580-16-5",{"$nulls":3},"Oc1ccc2ncccc2c1","Oc1cc2c(cc1)nccc2",null,"Oc1ccc2ncccc2c1","Oc1cc2c(cc1)nccc2",null,"Oc1ccc2ncccc2c1","Oc1cc2c(cc1)nccc2"]
[2226,"580-18-7","Oc1cnc2ccccc2c1","Oc1cc2c(nc1)cccc2",null,"Oc1cnc2ccccc2c1","Oc1cc2c(nc1)cccc2",null,"Oc1cnc2ccccc2c1","Oc1cc2c(nc1)cccc2",null,"Oc1cnc2ccccc2c1","Oc1cc2c(nc1)cccc2"]
[2227,"580-20-1","Oc1ccc2cccnc2c1","Oc1cc2c(cc1)cccn2",null,"[O-]c1ccc2ccc[nH+]c2c1","Oc1cc2c(cc1)cccn2",null,"Oc1ccc2cccnc2c1","Oc1cc2c(cc1)cccn2",null,"Oc1ccc2cccnc2c1","Oc1cc2c(cc1)cccn2"]
[2228,"580-48-3","CCN(CC)c1nc(Cl)nc(N(CC)CC)n1","CCN(CC)c1nc(nc(n1)Cl)N(CC)CC",null,"CCN(CC)c1nc(Cl)nc(N(CC)CC)n1","CCN(CC)c1nc(nc(n1)Cl)N(CC)CC",null,"CCN(CC)c1nc(Cl)nc(N(CC)CC)n1","CCN(CC)c1nc(nc(n1)Cl)N(CC)CC",null,"CCN(CC)c1nc(Cl)nc(N(CC)CC)n1","CCN(CC)c1nc(nc(n1)Cl)N(CC)CC"]
[2229,"581-40-8","Cc1cc2ccccc2cc1C","Cc1c(cc2c(c1)cccc2)C",null,"Cc1cc2ccccc2cc1C","Cc1c(cc2c(c1)cccc2)C",null,"Cc1cc2ccccc2cc1C","Cc1c(cc2c(c1)cccc2)C",null,"Cc1cc2ccccc2cc1C","Cc1c(cc2c(c1)cccc2)C"]
[2230,"581-42-0","Cc1ccc2cc(C)ccc2c1","Cc1cc2c(cc1)cc(C)cc2",null,"Cc1ccc2cc(C)ccc2c1","Cc1cc2c(cc1)cc(C)cc2",null,"Cc1ccc2cc(C)ccc2c1","Cc1cc2c(cc1)cc(C)cc2",null,"Cc1ccc2cc(C)ccc2c1","Cc1cc2c(cc1)cc(C)cc2"]
[2231,"581-43-1","Oc1ccc2cc(O)ccc2c1","Oc1cc2c(cc1)cc(O)cc2",null,"Oc1ccc2cc(O)ccc2c1","Oc1cc2c(cc1)cc(O)cc2",null,"Oc1ccc2cc(O)ccc2c1","Oc1cc2c(cc1)cc(O)cc2",null,"Oc1ccc2cc(O)ccc2c1","Oc1cc2c(cc1)cc(O)cc2"]
[2232,"581-49-7","C1=CCC(c2cccnc2)NC1","C=1CNC(CC1)c2cnccc2",null,"C1=CCC(c2cccnc2)NC1","C=1CNC(CC1)c2cnccc2"]
[2233,"581-50-0","c1ccc(-c2cccnc2)nc1","c1cnc(cc1)-c2cnccc2",null,"c1ccc(-c2cccnc2)nc1","c1cnc(cc1)-c2cnccc2",null,"c1ccc(-c2cccnc2)nc1","c1cnc(cc1)-c2cnccc2",null,"c1ccc(-c2cccnc2)nc1","c1cnc(cc1)-c2cnccc2"]
[2234,"581-89-5","O=[N+]([O-])c1ccc2ccccc2c1","O=[N+]([O-])c1cc2c(cc1)cccc2",null,"O=[N+]([O-])c1ccc2ccccc2c1","O=[N+]([O-])c1cc2c(cc1)cccc2",null,"O=[N+]([O-])c1ccc2ccccc2c1","O=[N+]([O-])c1cc2c(cc1)cccc2",null,"O=[N+]([O-])c1ccc2ccccc2c1","O=[N+]([O-])c1cc2c(cc1)cccc2"]
[2235,"582-52-5",{"$nulls":3},"CC1(C)OCC(C2OC3OC(C)(C)OC3C2O)O1","CC1(OC(CO1)C2C(C3C(O2)OC(C)(C)O3)O)C",{"$nulls":4},"CC1(C)OCC(C2OC3OC(C)(C)OC3C2O)O1","CC1(OC(CO1)C2C(C3C(O2)OC(C)(C)O3)O)C"]
[2236,"583-40-4","S=c1nc2nc[nH]cc-2[nH]1","S=c1[nH]c2-c(n1)nc[nH]c2",null,"S=c1[nH]c2cncnc2[nH]1","S=c1[nH]c2c([nH]1)cncn2",{"$nulls":4},"S=c1[nH]c2cncnc2[nH]1","S=c1[nH]c2c([nH]1)cncn2"]
[2237,"583-52-8","O=C([O-])C(=O)[O-]","O=C(O)C(=O)O","[K+](2)","O=C([O-])C(=O)[O-]","O=C(O)C(=O)O","[K+](2)","O=C([O-])C(=O)[O-]","O=C(O)C(=O)O","[K+](2)","O=C([O-])C(=O)[O-]","O=C(O)C(=O)O","[K+](2)"]
[2238,"583-53-9","Brc1ccccc1Br","Brc1c(cccc1)Br",null,"Brc1ccccc1Br","Brc1c(cccc1)Br",null,"Brc1ccccc1Br","Brc1c(cccc1)Br",null,"Brc1ccccc1Br","Brc1c(cccc1)Br"]
[2239,"583-57-3","CC1CCCCC1C","CC1C(CCCC1)C",null,"CC1CCCCC1C","CC1C(CCCC1)C",null,"CC1CCCCC1C","CC1C(CCCC1)C",null,"CC1CCCCC1C","CC1C(CCCC1)C"]
[2240,"583-58-4","Cc1ccncc1C","Cc1c(cncc1)C",null,"Cc1ccncc1C","Cc1c(cncc1)C",null,"Cc1ccncc1C","Cc1c(cncc1)C",null,"Cc1ccncc1C","Cc1c(cncc1)C"]
[2241,"583-61-9","Cc1cccnc1C","Cc1c(nccc1)C",null,"Cc1cccnc1C","Cc1c(nccc1)C",null,"Cc1cccnc1C","Cc1c(nccc1)C",null,"Cc1cccnc1C","Cc1c(nccc1)C"]
[2242,"583-78-8","Oc1cc(Cl)ccc1Cl","Oc1c(ccc(c1)Cl)Cl",null,"Oc1cc(Cl)ccc1Cl","Oc1c(ccc(c1)Cl)Cl",null,"Oc1cc(Cl)ccc1Cl","Oc1c(ccc(c1)Cl)Cl",null,"Oc1cc(Cl)ccc1Cl","Oc1c(ccc(c1)Cl)Cl"]
[2243,"584-02-1","CCC(O)CC","CCC(O)CC",null,"CCC(O)CC","CCC(O)CC",null,"CCC(O)CC","CCC(O)CC",null,"CCC(O)CC","CCC(O)CC"]
[2244,"584-03-2","CCC(O)CO","CCC(O)CO",null,"CCC(O)CO","CCC(O)CO",null,"CCC(O)CO","CCC(O)CO",null,"CCC(O)CO","CCC(O)CO"]
[2245,"584-79-2","C=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O","C=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",null,"C=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O","C=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",null,"C=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O","C=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",null,"C=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O","C=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O"]
[2246,"584-98-5"]
[2247,"585-04-6","CC(NC(N)=O)C(=O)O","CC(NC(N)=O)C(=O)O",{"$nulls":4},"CC(NC(N)=O)C(=O)O","CC(NC(N)=O)C(=O)O"]
[2248,"585-07-9","C=C(C)C(=O)OC(C)(C)C","C=C(C)C(=O)OC(C)(C)C",null,"C=C(C)C(=O)OC(C)(C)C","C=C(C)C(=O)OC(C)(C)C",null,"C=C(C)C(=O)OC(C)(C)C","C=C(C)C(=O)OC(C)(C)C",null,"C=C(C)C(=O)OC(C)(C)C","C=C(C)C(=O)OC(C)(C)C"]
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[2310,"591-93-5","C=CCC=C","C=CCC=C",null,"C=CCC=C","C=CCC=C",null,"C=CCC=C","C=CCC=C"]
[2311,"591-97-9","CC=CCCl","CC=CCCl",null,"CC=CCCl","CC=CCCl",null,"CC=CCCl","CC=CCCl",null,"CC=CCCl","CC=CCCl"]
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[2313,"592-41-6","C=CCCCC","C=CCCCC",null,"C=CCCCC","C=CCCCC",null,"C=CCCCC","C=CCCCC",null,"C=CCCCC","C=CCCCC"]
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[2331,"595-41-5","CCC(C)(O)C(C)C","CCC(C)(O)C(C)C",null,"CCC(C)(O)C(C)C","CCC(C)(O)C(C)C"]
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[2336,"597-32-0","CC(O)(CCl)CCl","CC(O)(CCl)CCl",{"$nulls":4},"CC(O)(CCl)CCl","CC(O)(CCl)CCl",null,"CC(O)(CCl)CCl","CC(O)(CCl)CCl"]
[2337,"597-35-3","CCS(=O)(=O)CC","CCS(=O)(=O)CC",null,"CCS(=O)(=O)CC","CCS(=O)(=O)CC"]
[2338,"597-43-3","CC(C)(CC(=O)O)C(=O)O","CC(C)(CC(=O)O)C(=O)O",null,"CC(C)(CC(=O)O)C(=O)O","CC(C)(CC(=O)O)C(=O)O",null,"CC(C)(CC(=O)O)C(=O)O","CC(C)(CC(=O)O)C(=O)O",null,"CC(C)(CC(=O)O)C(=O)O","CC(C)(CC(=O)O)C(=O)O"]
[2339,"597-49-9","CCC(O)(CC)CC","CCC(O)(CC)CC",null,"CCC(O)(CC)CC","CCC(O)(CC)CC",null,"CCC(O)(CC)CC","CCC(O)(CC)CC",null,"CCC(O)(CC)CC","CCC(O)(CC)CC"]
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[2341,"597-71-7",{"$nulls":3},"CC(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O","CC(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O",{"$nulls":4},"CC(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O","CC(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O"]
[2342,"597-96-6","CCCC(C)(O)CC","CCCC(C)(O)CC",null,"CCCC(C)(O)CC","CCCC(C)(O)CC",null,"CCCC(C)(O)CC","CCCC(C)(O)CC",null,"CCCC(C)(O)CC","CCCC(C)(O)CC"]
[2343,"598-01-6","CCCC(C)(O)CCC","CCCC(C)(O)CCC",null,"CCCC(C)(O)CCC","CCCC(C)(O)CCC",null,"CCCC(C)(O)CCC","CCCC(C)(O)CCC",null,"CCCC(C)(O)CCC","CCCC(C)(O)CCC"]
[2344,"598-06-1","CCCCC(C)(O)CC","CCCCC(C)(O)CC",null,"CCCCC(C)(O)CC","CCCCC(C)(O)CC"]
[2345,"598-09-4","CC1(CCl)CO1","CC1(OC1)CCl",null,"CC1(CCl)CO1","CC1(OC1)CCl"]
[2346,"598-20-9","ClC(Br)CBr","ClC(Br)CBr",null,"ClC(Br)CBr","ClC(Br)CBr",null,"ClC(Br)CBr","ClC(Br)CBr",null,"ClC(Br)CBr","ClC(Br)CBr"]
[2347,"598-50-5","CNC(N)=O","CNC(N)=O",null,"CNC(N)=O","CNC(N)=O",null,"CNC(N)=O","CNC(N)=O",null,"CNC(N)=O","CNC(N)=O"]
[2348,"598-53-8","COC(C)C","COC(C)C",null,"COC(C)C","COC(C)C",null,"COC(C)C","COC(C)C",null,"COC(C)C","COC(C)C"]
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[2351,"598-75-4","CC(C)C(C)O","CC(C)C(C)O",null,"CC(C)C(C)O","CC(C)C(C)O",null,"CC(C)C(C)O","CC(C)C(C)O",null,"CC(C)C(C)O","CC(C)C(C)O"]
[2352,"598-77-6","CC(Cl)C(Cl)Cl","CC(Cl)C(Cl)Cl",null,"CC(Cl)C(Cl)Cl","CC(Cl)C(Cl)Cl",null,"CC(Cl)C(Cl)Cl","CC(Cl)C(Cl)Cl",null,"CC(Cl)C(Cl)Cl","CC(Cl)C(Cl)Cl"]
[2353,"598-78-7","CC(Cl)C(=O)O","CC(Cl)C(=O)O",null,"CC(Cl)C(=O)O","CC(Cl)C(=O)O",null,"CC(Cl)C(=O)O","CC(Cl)C(=O)O",null,"CC(Cl)C(=O)O","CC(Cl)C(=O)O"]
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[2355,"598-92-5","CC(Cl)[N+](=O)[O-]","CC(Cl)[N+](=O)[O-]",null,"CC(Cl)[N+](=O)[O-]","CC(Cl)[N+](=O)[O-]",null,"CC(Cl)[N+](=O)[O-]","CC(Cl)[N+](=O)[O-]",null,"CC(Cl)[N+](=O)[O-]","CC(Cl)[N+](=O)[O-]"]
[2356,"599-75-7",{"$nulls":3},"Cc1ccc(S(=O)(=O)Oc2ccccc2C)cc1","Cc1ccc(cc1)S(=O)(=O)Oc2c(cccc2)C",{"$nulls":4},"Cc1ccc(S(=O)(=O)Oc2ccccc2C)cc1","Cc1ccc(cc1)S(=O)(=O)Oc2c(cccc2)C"]
[2357,"599-82-6","Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2"]
[2358,"599-84-8"]
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[2361,"600-13-5",{"$nulls":3},"CC=C(Cl)C(=O)O","CC=C(Cl)C(=O)O"]
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[2367,"601-89-8","O=[N+]([O-])c1c(O)cccc1O","O=[N+]([O-])c1c(cccc1O)O",null,"O=[N+]([O-])c1c(O)cccc1O","O=[N+]([O-])c1c(cccc1O)O",null,"O=[N+]([O-])c1c(O)cccc1O","O=[N+]([O-])c1c(cccc1O)O",null,"O=[N+]([O-])c1c(O)cccc1O","O=[N+]([O-])c1c(cccc1O)O"]
[2368,"602-38-0","O=[N+]([O-])c1cccc2cccc([N+](=O)[O-])c12","O=[N+]([O-])c1c2c(ccc1)cccc2[N+](=O)[O-]",null,"O=[N+]([O-])c1cccc2cccc([N+](=O)[O-])c12","O=[N+]([O-])c1c2c(ccc1)cccc2[N+](=O)[O-]",null,"O=[N+]([O-])c1cccc2cccc([N+](=O)[O-])c12","O=[N+]([O-])c1c2c(ccc1)cccc2[N+](=O)[O-]",null,"O=[N+]([O-])c1cccc2cccc([N+](=O)[O-])c12","O=[N+]([O-])c1c2c(ccc1)cccc2[N+](=O)[O-]"]
[2369,"602-60-8","O=[N+]([O-])c1c2ccccc2cc2ccccc12","O=[N+]([O-])c1c2c(cc3c1cccc3)cccc2",null,"O=[N+]([O-])c1c2ccccc2cc2ccccc12","O=[N+]([O-])c1c2c(cc3c1cccc3)cccc2",null,"O=[N+]([O-])c1c2ccccc2cc2ccccc12","O=[N+]([O-])c1c2c(cc3c1cccc3)cccc2",null,"O=[N+]([O-])c1c2ccccc2cc2ccccc12","O=[N+]([O-])c1c2c(cc3c1cccc3)cccc2"]
[2370,"602-87-9","O=[N+]([O-])c1ccc2c3c(cccc13)CC2","O=[N+]([O-])c1c2c3c(cc1)CCc3ccc2",null,"O=[N+]([O-])c1ccc2c3c(cccc13)CC2","O=[N+]([O-])c1c2c3c(cc1)CCc3ccc2",null,"O=[N+]([O-])c1ccc2c3c(cccc13)CC2","O=[N+]([O-])c1c2c3c(cc1)CCc3ccc2",null,"O=[N+]([O-])c1ccc2c3c(cccc13)CC2","O=[N+]([O-])c1c2c3c(cc1)CCc3ccc2"]
[2371,"602-92-6","O=C(O)c1c(Br)c(O)c(O)c(O)c1Br","O=C(O)c1c(c(c(c(c1Br)O)O)O)Br"]
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[2376,"603-63-4"]
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[2378,"604-69-3","CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O","CC(=O)OCC1C(C(C(C(O1)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O",null,"CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O","CC(=O)OCC1C(C(C(C(O1)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O"]
[2379,"605-32-3","O=C1c2ccccc2C(=O)c2cc(O)ccc21","O=C1c2c(C(c3c1cccc3)=O)cc(O)cc2",null,"O=C1c2ccccc2C(=O)c2cc(O)ccc21","O=C1c2c(C(c3c1cccc3)=O)cc(O)cc2",null,"O=C1c2ccccc2C(=O)c2cc(O)ccc21","O=C1c2c(C(c3c1cccc3)=O)cc(O)cc2",null,"O=C1c2ccccc2C(=O)c2cc(O)ccc21","O=C1c2c(C(c3c1cccc3)=O)cc(O)cc2"]
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[2381,"605-71-0","O=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12","O=[N+]([O-])c1c2c(ccc1)c([N+](=O)[O-])ccc2",null,"O=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12","O=[N+]([O-])c1c2c(ccc1)c([N+](=O)[O-])ccc2",null,"O=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12","O=[N+]([O-])c1c2c(ccc1)c([N+](=O)[O-])ccc2",null,"O=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12","O=[N+]([O-])c1c2c(ccc1)c([N+](=O)[O-])ccc2"]
[2382,"606-20-2","Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]","Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]",null,"Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]","Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]",null,"Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]","Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]",null,"Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]","Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]"]
[2383,"606-28-0","COC(=O)c1ccccc1C(=O)c1ccccc1","COC(=O)c1c(cccc1)C(=O)c2ccccc2",null,"COC(=O)c1ccccc1C(=O)c1ccccc1","COC(=O)c1c(cccc1)C(=O)c2ccccc2",null,"COC(=O)c1ccccc1C(=O)c1ccccc1","COC(=O)c1c(cccc1)C(=O)c2ccccc2",null,"COC(=O)c1ccccc1C(=O)c1ccccc1","COC(=O)c1c(cccc1)C(=O)c2ccccc2"]
[2384,"606-33-7","O=c1[nH]c(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[nH]1","O=c1[nH]c2c(c([nH]1)=O)cc([N+](=O)[O-])cc2[N+](=O)[O-]",null,"O=c1[nH]c(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[nH]1","O=c1[nH]c2c(c([nH]1)=O)cc([N+](=O)[O-])cc2[N+](=O)[O-]",null,"O=c1[nH]c(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[nH]1","O=c1[nH]c2c(c([nH]1)=O)cc([N+](=O)[O-])cc2[N+](=O)[O-]",null,"O=c1[nH]c(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[nH]1","O=c1[nH]c2c(c([nH]1)=O)cc([N+](=O)[O-])cc2[N+](=O)[O-]"]
[2385,"606-35-9","COc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"COc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},"COc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"]
[2386,"606-43-9",{"$nulls":3},"Cn1c(=O)ccc2ccccc21","Cn1c2c(ccc1=O)cccc2",null,"Cn1c(=O)ccc2ccccc21","Cn1c2c(ccc1=O)cccc2",null,"Cn1c(=O)ccc2ccccc21","Cn1c2c(ccc1=O)cccc2"]
[2387,"607-57-8","O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2","O=[N+]([O-])c1cc2c(cc1)-c3c(C2)cccc3",null,"O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2","O=[N+]([O-])c1cc2c(cc1)-c3c(C2)cccc3",null,"O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2","O=[N+]([O-])c1cc2c(cc1)-c3c(C2)cccc3",null,"O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2","O=[N+]([O-])c1cc2c(cc1)-c3c(C2)cccc3"]
[2388,"607-67-0","Cc1cc(O)c2ccccc2n1","Cc1nc2c(c(c1)O)cccc2",null,"Cc1cc(=O)c2ccccc2[nH]1","Cc1[nH]c2c(c(c1)=O)cccc2",{"$nulls":4},"Cc1cc(=O)c2ccccc2[nH]1","Cc1[nH]c2c(c(c1)=O)cccc2"]
[2389,"607-71-6","Cc1cc(=O)oc2ccccc12","Cc1c2c(oc(c1)=O)cccc2",null,"Cc1cc(=O)oc2ccccc12","Cc1c2c(oc(c1)=O)cccc2",null,"Cc1cc(=O)oc2ccccc12","Cc1c2c(oc(c1)=O)cccc2",null,"Cc1cc(=O)oc2ccccc12","Cc1c2c(oc(c1)=O)cccc2"]
[2390,"608-21-9","Brc1cccc(Br)c1Br","Brc1c(c(ccc1)Br)Br",null,"Brc1cccc(Br)c1Br","Brc1c(c(ccc1)Br)Br"]
[2391,"608-25-3","Cc1c(O)cccc1O","Cc1c(cccc1O)O",null,"Cc1c(O)cccc1O","Cc1c(cccc1O)O",null,"Cc1c(O)cccc1O","Cc1c(cccc1O)O",null,"Cc1c(O)cccc1O","Cc1c(cccc1O)O"]
[2392,"608-36-6","O=C(O)C(Br)C(Br)C(=O)O","O=C(O)C(Br)C(Br)C(=O)O",null,"O=C([O-])C(Br)C(Br)C(=O)[O-]","O=C(O)C(Br)C(Br)C(=O)O"]
[2393,"608-39-9",{"$nulls":3},"CC(C(=O)O)C(C)C(=O)O","CC(C(=O)O)C(C)C(=O)O"]
[2394,"608-40-2","CC(C(=O)O)C(C)C(=O)O","CC(C(=O)O)C(C)C(=O)O",null,"CC(C(=O)O)C(C)C(=O)O","CC(C(=O)O)C(C)C(=O)O"]
[2395,"608-60-6","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O"]
[2396,"608-66-2","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",null,"OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",null,"OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",null,"OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO"]
[2397,"608-73-1",{"$nulls":3},"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl"]
[2398,"608-93-5","Clc1cc(Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)Cl)Cl"]
[2399,"608-94-6","Oc1ccc(OCl)c(Cl)c1Cl","Oc1c(c(c(cc1)OCl)Cl)Cl",null,"Oc1cc(Cl)c(O)c(Cl)c1Cl","Oc1c(c(c(c(c1)Cl)O)Cl)Cl",null,"Oc1cc(Cl)c(O)c(Cl)c1Cl","Oc1c(c(c(c(c1)Cl)O)Cl)Cl",null,"Oc1cc(Cl)c(O)c(Cl)c1Cl","Oc1c(c(c(c(c1)Cl)O)Cl)Cl"]
[2400,"609-09-6","CCOC(=O)C(=O)C(=O)OCC","CCOC(=O)C(=O)C(=O)OCC",null,"CCOC(=O)C(=O)C(=O)OCC","CCOC(=O)C(=O)C(=O)OCC",null,"CCOC(=O)C(=O)C(=O)OCC","CCOC(=O)C(=O)C(=O)OCC",null,"CCOC(=O)C(=O)C(=O)OCC","CCOC(=O)C(=O)C(=O)OCC"]
[2401,"609-31-4","CCC(CO)[N+](=O)[O-]","CCC(CO)[N+](=O)[O-]",null,"CCC(CO)[N+](=O)[O-]","CCC(CO)[N+](=O)[O-]",null,"CCC(CO)[N+](=O)[O-]","CCC(CO)[N+](=O)[O-]",null,"CCC(CO)[N+](=O)[O-]","CCC(CO)[N+](=O)[O-]"]
[2402,"609-89-2","O=[N+]([O-])c1cc(Cl)cc(Cl)c1O","O=[N+]([O-])c1c(c(cc(c1)Cl)Cl)O",null,"O=[N+]([O-])c1cc(Cl)cc(Cl)c1O","O=[N+]([O-])c1c(c(cc(c1)Cl)Cl)O",null,"O=[N+]([O-])c1cc(Cl)cc(Cl)c1O","O=[N+]([O-])c1c(c(cc(c1)Cl)Cl)O",null,"O=[N+]([O-])c1cc(Cl)cc(Cl)c1O","O=[N+]([O-])c1c(c(cc(c1)Cl)Cl)O"]
[2403,"609-97-2","Nc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]","Nc1c(cc(cc1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]"]
[2404,"609-98-3","O=C(O)c1cc(C(=O)O)c(O)c(C(=O)O)c1","O=C(O)c1cc(c(c(c1)C(=O)O)O)C(=O)O",{"$nulls":4},"O=C(O)c1cc(C(=O)O)c(O)c(C(=O)O)c1","O=C(O)c1cc(c(c(c1)C(=O)O)O)C(=O)O",null,"O=C(O)c1cc(C(=O)O)c(O)c(C(=O)O)c1","O=C(O)c1cc(c(c(c1)C(=O)O)O)C(=O)O"]
[2405,"610-02-6","O=C(O)c1ccc(O)c(O)c1O","O=C(O)c1c(c(c(cc1)O)O)O",null,"O=C(O)c1ccc(O)c(O)c1O","O=C(O)c1c(c(c(cc1)O)O)O",null,"O=C(O)c1ccc(O)c(O)c1O","O=C(O)c1c(c(c(cc1)O)O)O",null,"O=C(O)c1ccc(O)c(O)c1O","O=C(O)c1c(c(c(cc1)O)O)O"]
[2406,"610-04-8","O=Cc1cccc(C(=O)O)c1O","O=Cc1c(c(ccc1)C(=O)O)O",null,"O=Cc1cccc(C(=O)O)c1O","O=Cc1c(c(ccc1)C(=O)O)O",null,"O=Cc1cccc(C(=O)O)c1O","O=Cc1c(c(ccc1)C(=O)O)O",null,"O=Cc1cccc(C(=O)O)c1O","O=Cc1c(c(ccc1)C(=O)O)O"]
[2407,"610-13-9","O=C(O)C1=C(C(=O)O)CC=CC1","O=C(O)C=1CC=CCC1C(=O)O",{"$nulls":4},"O=C(O)C1=C(C(=O)O)CC=CC1","O=C(O)C=1CC=CCC1C(=O)O",null,"O=C(O)C1=C(C(=O)O)CC=CC1","O=C(O)C=1CC=CCC1C(=O)O"]
[2408,"610-30-0","O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)c1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,"O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)c1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,"O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)c1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,"O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)c1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]"]
[2409,"610-39-9",{"$nulls":3},"Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1","Cc1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,"Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1","Cc1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,"Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1","Cc1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]"]
[2410,"610-48-0","Cc1cccc2cc3ccccc3cc12","Cc1c2c(ccc1)cc3c(cccc3)c2",null,"Cc1cccc2cc3ccccc3cc12","Cc1c2c(ccc1)cc3c(cccc3)c2",null,"Cc1cccc2cc3ccccc3cc12","Cc1c2c(ccc1)cc3c(cccc3)c2",null,"Cc1cccc2cc3ccccc3cc12","Cc1c2c(ccc1)cc3c(cccc3)c2"]
[2411,"610-93-5","O=C1OCc2ccc([N+](=O)[O-])cc21","O=C1c2c(CO1)ccc([N+](=O)[O-])c2",null,"O=C1OCc2ccc([N+](=O)[O-])cc21","O=C1c2c(CO1)ccc([N+](=O)[O-])c2"]
[2412,"611-14-3","CCc1ccccc1C","CCc1c(cccc1)C",null,"CCc1ccccc1C","CCc1c(cccc1)C",null,"CCc1ccccc1C","CCc1c(cccc1)C",null,"CCc1ccccc1C","CCc1c(cccc1)C"]
[2413,"611-36-9","Oc1ccnc2ccccc12","Oc1c2c(ncc1)cccc2",null,"O=c1cc[nH]c2ccccc12","O=c1c2c([nH]cc1)cccc2",null,"O=c1cc[nH]c2ccccc12","O=c1c2c([nH]cc1)cccc2",null,"O=c1cc[nH]c2ccccc12","O=c1c2c([nH]cc1)cccc2"]
[2414,"611-41-6","CCOc1ccc(N2C(=O)CCC2=O)cc1","CCOc1ccc(cc1)N2C(CCC2=O)=O"]
[2415,"611-71-2","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",null,"O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",null,"O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",null,"O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1"]
[2416,"611-72-3","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",null,"O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",null,"O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",null,"O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1"]
[2417,"611-73-4","O=C(O)C(=O)c1ccccc1","O=C(O)C(=O)c1ccccc1",null,"O=C(O)C(=O)c1ccccc1","O=C(O)C(=O)c1ccccc1",null,"O=C(O)C(=O)c1ccccc1","O=C(O)C(=O)c1ccccc1",null,"O=C(O)C(=O)c1ccccc1","O=C(O)C(=O)c1ccccc1"]
[2418,"612-14-6","OCc1ccccc1CO","OCc1c(cccc1)CO",null,"OCc1ccccc1CO","OCc1c(cccc1)CO",null,"OCc1ccccc1CO","OCc1c(cccc1)CO",null,"OCc1ccccc1CO","OCc1c(cccc1)CO"]
[2419,"612-20-4","O=C(O)c1ccccc1CO","O=C(O)c1c(cccc1)CO",null,"O=C(O)c1ccccc1CO","O=C(O)c1c(cccc1)CO",null,"O=C(O)c1ccccc1CO","O=C(O)c1c(cccc1)CO"]
[2420,"612-22-6","CCc1ccccc1[N+](=O)[O-]","CCc1c(cccc1)[N+](=O)[O-]",null,"CCc1ccccc1[N+](=O)[O-]","CCc1c(cccc1)[N+](=O)[O-]",null,"CCc1ccccc1[N+](=O)[O-]","CCc1c(cccc1)[N+](=O)[O-]",null,"CCc1ccccc1[N+](=O)[O-]","CCc1c(cccc1)[N+](=O)[O-]"]
[2421,"612-25-9","O=[N+]([O-])c1ccccc1CO","O=[N+]([O-])c1c(cccc1)CO",null,"O=[N+]([O-])c1ccccc1CO","O=[N+]([O-])c1c(cccc1)CO",null,"O=[N+]([O-])c1ccccc1CO","O=[N+]([O-])c1c(cccc1)CO",null,"O=[N+]([O-])c1ccccc1CO","O=[N+]([O-])c1c(cccc1)CO"]
[2422,"613-12-7","Cc1ccc2cc3ccccc3cc2c1","Cc1cc2c(cc1)cc3c(cccc3)c2",null,"Cc1ccc2cc3ccccc3cc2c1","Cc1cc2c(cc1)cc3c(cccc3)c2",null,"Cc1ccc2cc3ccccc3cc2c1","Cc1cc2c(cc1)cc3c(cccc3)c2",null,"Cc1ccc2cc3ccccc3cc2c1","Cc1cc2c(cc1)cc3c(cccc3)c2"]
[2423,"613-13-8","Nc1ccc2cc3ccccc3cc2c1","Nc1cc2c(cc1)cc3c(cccc3)c2",null,"Nc1ccc2cc3ccccc3cc2c1","Nc1cc2c(cc1)cc3c(cccc3)c2",null,"Nc1ccc2cc3ccccc3cc2c1","Nc1cc2c(cc1)cc3c(cccc3)c2",null,"Nc1ccc2cc3ccccc3cc2c1","Nc1cc2c(cc1)cc3c(cccc3)c2"]
[2424,"613-33-2",{"$nulls":3},"Cc1ccc(-c2ccc(C)cc2)cc1","Cc1ccc(cc1)-c2ccc(cc2)C",null,"Cc1ccc(-c2ccc(C)cc2)cc1","Cc1ccc(cc1)-c2ccc(cc2)C",null,"Cc1ccc(-c2ccc(C)cc2)cc1","Cc1ccc(cc1)-c2ccc(cc2)C"]
[2425,"613-69-4","CCOc1ccccc1C=O","CCOc1c(cccc1)C=O",null,"CCOc1ccccc1C=O","CCOc1c(cccc1)C=O",null,"CCOc1ccccc1C=O","CCOc1c(cccc1)C=O",null,"CCOc1ccccc1C=O","CCOc1c(cccc1)C=O"]
[2426,"614-18-6",null,null,"CCOC(=O)c1cccnc1(1)",null,null,"CCOC(=O)c1cccnc1(1)",null,null,"CCOC(=O)c1cnccc1(1)",null,null,"CCOC(=O)c1cnccc1(1)",null,"Organic counterion"]
[2427,"614-28-8","O=C(NC(=O)c1ccccc1)c1ccccc1","O=C(NC(=O)c1ccccc1)c2ccccc2",null,"O=C(NC(=O)c1ccccc1)c1ccccc1","O=C(NC(=O)c1ccccc1)c2ccccc2",null,"O=C(NC(=O)c1ccccc1)c1ccccc1","O=C(NC(=O)c1ccccc1)c2ccccc2",null,"O=C(NC(=O)c1ccccc1)c1ccccc1","O=C(NC(=O)c1ccccc1)c2ccccc2"]
[2428,"614-61-9","O=C(COc1ccccc1)OCl","O=C(COc1ccccc1)OCl",null,"O=C(O)COc1ccccc1Cl","O=C(O)COc1c(cccc1)Cl",null,"O=C(O)COc1ccccc1Cl","O=C(O)COc1c(cccc1)Cl",null,"O=C(O)COc1ccccc1Cl","O=C(O)COc1c(cccc1)Cl"]
[2429,"614-77-7","Cc1ccccc1NC(N)=O","Cc1c(cccc1)NC(N)=O",null,"Cc1ccccc1NC(N)=O","Cc1c(cccc1)NC(N)=O",{"$nulls":4},"Cc1ccccc1NC(N)=O","Cc1c(cccc1)NC(N)=O"]
[2430,"614-80-2","CC(=O)Nc1ccccc1O","CC(=O)Nc1c(cccc1)O",null,"CC(=O)Nc1ccccc1O","CC(=O)Nc1c(cccc1)O",null,"CC(=O)Nc1ccccc1O","CC(=O)Nc1c(cccc1)O",null,"CC(=O)Nc1ccccc1O","CC(=O)Nc1c(cccc1)O"]
[2431,"615-15-6",{"$nulls":3},"Cc1nc2ccccc2[nH]1","Cc1[nH]c2c(n1)cccc2",{"$nulls":4},"Cc1nc2ccccc2[nH]1","Cc1[nH]c2c(n1)cccc2"]
[2432,"615-22-5","CSc1nc2ccccc2s1","CSc1sc2c(n1)cccc2",null,"CSc1nc2ccccc2s1","CSc1sc2c(n1)cccc2",null,"CSc1nc2ccccc2s1","CSc1sc2c(n1)cccc2",null,"CSc1nc2ccccc2s1","CSc1sc2c(n1)cccc2"]
[2433,"615-35-0","CNC(=O)C(=O)NC","CNC(=O)C(=O)NC",null,"CNC(=O)C(=O)NC","CNC(=O)C(=O)NC",null,"CNC(=O)C(=O)NC","CNC(=O)C(=O)NC",null,"CNC(=O)C(=O)NC","CNC(=O)C(=O)NC"]
[2434,"615-41-8","Clc1ccccc1I","Clc1c(cccc1)I",null,"Clc1ccccc1I","Clc1c(cccc1)I",null,"Clc1ccccc1I","Clc1c(cccc1)I",null,"Clc1ccccc1I","Clc1c(cccc1)I"]
[2435,"615-42-9","Ic1ccccc1I","Ic1c(cccc1)I",null,"Ic1ccccc1I","Ic1c(cccc1)I",null,"Ic1ccccc1I","Ic1c(cccc1)I",null,"Ic1ccccc1I","Ic1c(cccc1)I"]
[2436,"615-53-2","CCOC(=O)N(C)N=O","CCOC(=O)N(C)N=O",null,"CCOC(=O)N(C)N=O","CCOC(=O)N(C)N=O",null,"CCOC(=O)N(C)N=O","CCOC(=O)N(C)N=O",null,"CCOC(=O)N(C)N=O","CCOC(=O)N(C)N=O"]
[2437,"615-54-3","Brc1ccc(Br)c(Br)c1","Brc1cc(c(cc1)Br)Br",null,"Brc1ccc(Br)c(Br)c1","Brc1cc(c(cc1)Br)Br",null,"Brc1ccc(Br)c(Br)c1","Brc1cc(c(cc1)Br)Br",null,"Brc1ccc(Br)c(Br)c1","Brc1cc(c(cc1)Br)Br"]
[2438,"615-58-7","Oc1ccc(Br)cc1Br","Oc1c(cc(cc1)Br)Br",null,"Oc1ccc(Br)cc1Br","Oc1c(cc(cc1)Br)Br",null,"Oc1ccc(Br)cc1Br","Oc1c(cc(cc1)Br)Br",null,"Oc1ccc(Br)cc1Br","Oc1c(cc(cc1)Br)Br"]
[2439,"615-67-8","Oc1ccc(O)c(Cl)c1","Oc1cc(c(cc1)O)Cl",null,"Oc1ccc(O)c(Cl)c1","Oc1cc(c(cc1)O)Cl",null,"Oc1ccc(O)c(Cl)c1","Oc1cc(c(cc1)O)Cl",null,"Oc1ccc(O)c(Cl)c1","Oc1cc(c(cc1)O)Cl"]
[2440,"615-77-0","Cn1ccc(=O)[nH]c1=O","Cn1c([nH]c(cc1)=O)=O",null,"Cn1ccc(=O)[nH]c1=O","Cn1c([nH]c(cc1)=O)=O",null,"Cn1ccc(=O)[nH]c1=O","Cn1c([nH]c(cc1)=O)=O",null,"Cn1ccc(=O)[nH]c1=O","Cn1c([nH]c(cc1)=O)=O"]
[2441,"616-06-8","CCCCC(N)C(=O)O","CCCCC(N)C(=O)O",null,"CCCCC(N)C(=O)O","CCCCC(N)C(=O)O",{"$nulls":4},"CCCCC(N)C(=O)O","CCCCC(N)C(=O)O"]
[2442,"616-20-6","CCC(Cl)CC","CCC(Cl)CC",null,"CCC(Cl)CC","CCC(Cl)CC",null,"CCC(Cl)CC","CCC(Cl)CC",null,"CCC(Cl)CC","CCC(Cl)CC"]
[2443,"616-25-1","C=CC(O)CC","C=CC(O)CC",null,"C=CC(O)CC","C=CC(O)CC",null,"C=CC(O)CC","C=CC(O)CC",null,"C=CC(O)CC","C=CC(O)CC"]
[2444,"616-39-7","CCN(C)CC","CCN(C)CC",null,"CC[NH+](C)CC","CCN(C)CC",null,"CCN(C)CC","CCN(C)CC",null,"CCN(C)CC","CCN(C)CC"]
[2445,"616-44-4","Cc1ccsc1","Cc1cscc1",null,"Cc1ccsc1","Cc1cscc1",null,"Cc1ccsc1","Cc1cscc1",null,"Cc1ccsc1","Cc1cscc1"]
[2446,"616-45-5","O=C1CCCN1","O=C1NCCC1",null,"O=C1CCCN1","O=C1NCCC1",null,"O=C1CCCN1","O=C1NCCC1",null,"O=C1CCCN1","O=C1NCCC1"]
[2447,"616-47-7","Cn1ccnc1","Cn1cncc1",null,"Cn1ccnc1","Cn1cncc1",null,"Cn1ccnc1","Cn1cncc1",null,"Cn1ccnc1","Cn1cncc1"]
[2448,"616-62-6","CCCC(C(=O)O)C(=O)O","CCCC(C(=O)O)C(=O)O",null,"CCCC(C(=O)O)C(=O)O","CCCC(C(=O)O)C(=O)O",null,"CCCC(C(=O)O)C(=O)O","CCCC(C(=O)O)C(=O)O",null,"CCCC(C(=O)O)C(=O)O","CCCC(C(=O)O)C(=O)O"]
[2449,"616-74-0","O=[N+]([O-])c1cc([N+](=O)[O-])c(O)cc1O","O=[N+]([O-])c1c(cc(c(c1)[N+](=O)[O-])O)O",null,"O=[N+]([O-])c1cc([N+](=O)[O-])c(O)cc1O","O=[N+]([O-])c1c(cc(c(c1)[N+](=O)[O-])O)O",null,"O=[N+]([O-])c1cc([N+](=O)[O-])c(O)cc1O","O=[N+]([O-])c1c(cc(c(c1)[N+](=O)[O-])O)O",null,"O=[N+]([O-])c1cc([N+](=O)[O-])c(O)cc1O","O=[N+]([O-])c1c(cc(c(c1)[N+](=O)[O-])O)O"]
[2450,"616-76-2","O=Cc1ccc(O)c(C(=O)O)c1","O=Cc1cc(c(cc1)O)C(=O)O",null,"O=Cc1ccc(O)c(C(=O)O)c1","O=Cc1cc(c(cc1)O)C(=O)O",null,"O=Cc1ccc(O)c(C(=O)O)c1","O=Cc1cc(c(cc1)O)C(=O)O",null,"O=Cc1ccc(O)c(C(=O)O)c1","O=Cc1cc(c(cc1)O)C(=O)O"]
[2451,"616-79-5","Nc1ccc([N+](=O)[O-])cc1C(=O)O","Nc1c(cc(cc1)[N+](=O)[O-])C(=O)O",null,"Nc1ccc([N+](=O)[O-])cc1C(=O)O","Nc1c(cc(cc1)[N+](=O)[O-])C(=O)O",null,"Nc1ccc([N+](=O)[O-])cc1C(=O)O","Nc1c(cc(cc1)[N+](=O)[O-])C(=O)O",null,"Nc1ccc([N+](=O)[O-])cc1C(=O)O","Nc1c(cc(cc1)[N+](=O)[O-])C(=O)O"]
[2452,"616-88-6","CCCCCC(C(=O)O)C(=O)O","CCCCCC(C(=O)O)C(=O)O",null,"CCCCCC(C(=O)O)C(=O)O","CCCCCC(C(=O)O)C(=O)O",{"$nulls":4},"CCCCCC(C(=O)O)C(=O)O","CCCCCC(C(=O)O)C(=O)O"]
[2453,"617-29-8","CCCC(O)C(C)C","CCCC(O)C(C)C",null,"CCCC(O)C(C)C","CCCC(O)C(C)C"]
[2454,"617-45-8","NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O",null,"NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O",null,"NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O",null,"NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O"]
[2455,"617-48-1","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O",null,"O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O",{"$nulls":4},"O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O"]
[2456,"617-53-8",{"$nulls":3},"COC(=O)C=C(C)C(=O)OC","COC(=O)C=C(C)C(=O)OC",null,"COC(=O)C=C(C)C(=O)OC","COC(=O)C=C(C)C(=O)OC"]
[2457,"617-54-9",{"$nulls":3},"COC(=O)C=C(C)C(=O)OC","COC(=O)C=C(C)C(=O)OC",null,"COC(=O)C=C(C)C(=O)OC","COC(=O)C=C(C)C(=O)OC",null,"COC(=O)C=C(C)C(=O)OC","COC(=O)C=C(C)C(=O)OC"]
[2458,"617-65-2","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",null,"NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",{"$nulls":4},"NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O"]
[2459,"617-84-5","CCN(C=O)CC","CCN(C=O)CC",null,"CCN(C=O)CC","CCN(C=O)CC",null,"CCN(C=O)CC","CCN(C=O)CC",null,"CCN(C=O)CC","CCN(C=O)CC"]
[2460,"617-89-0","NCc1ccco1","NCc1occc1",null,"NCc1ccco1","NCc1occc1",null,"NCc1ccco1","NCc1occc1",null,"NCc1ccco1","NCc1occc1"]
[2461,"618-03-1","Cc1ccc(S(=O)(=O)O)cc1N","Cc1c(cc(cc1)S(=O)(=O)O)N",null,"Cc1ccc(S(=O)(=O)O)cc1N","Cc1c(cc(cc1)S(=O)(=O)O)N",null,"Cc1ccc(S(=O)(=O)O)cc1N","Cc1c(cc(cc1)S(=O)(=O)O)N",null,"Cc1ccc(S(=O)(=O)O)cc1N","Cc1c(cc(cc1)S(=O)(=O)O)N"]
[2462,"618-09-7","CN(C)c1cccc(S(=O)(=O)O)c1","CN(C)c1cc(ccc1)S(=O)(=O)O",{"$nulls":4},"CN(C)c1cccc(S(=O)(=O)O)c1","CN(C)c1cc(ccc1)S(=O)(=O)O",null,"CN(C)c1cccc(S(=O)(=O)O)c1","CN(C)c1cc(ccc1)S(=O)(=O)O"]
[2463,"618-30-4","O=C(O)c1ccc(Cl)o1","O=C(O)c1oc(cc1)Cl",null,"O=C([O-])c1ccc(Cl)o1","O=C(O)c1oc(cc1)Cl",null,"O=C(O)c1ccc(Cl)o1","O=C(O)c1oc(cc1)Cl",null,"O=C(O)c1ccc(Cl)o1","O=C(O)c1oc(cc1)Cl"]
[2464,"618-51-9","O=C(O)c1cccc(I)c1","O=C(O)c1cc(ccc1)I",null,"O=C(O)c1cccc(I)c1","O=C(O)c1cc(ccc1)I",null,"O=C(O)c1cccc(I)c1","O=C(O)c1cc(ccc1)I",null,"O=C(O)c1cccc(I)c1","O=C(O)c1cc(ccc1)I"]
[2465,"618-65-5","O=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O","O=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",null,"O=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O","O=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",null,"O=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O","O=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",null,"O=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O","O=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O"]
[2466,"618-67-7","O=C(O)C=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O","O=C(O)C=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",null,"O=C(O)C=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O","O=C(O)C=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O"]
[2467,"618-83-7","O=C(O)c1cc(O)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)O)C(=O)O",null,"O=C(O)c1cc(O)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)O)C(=O)O",null,"O=C(O)c1cc(O)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)O)C(=O)O",null,"O=C(O)c1cc(O)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)O)C(=O)O"]
[2468,"619-02-3"]
[2469,"619-04-5","Cc1ccc(C(=O)O)cc1C","Cc1c(cc(cc1)C(=O)O)C",null,"Cc1ccc(C(=O)[O-])cc1C","Cc1c(cc(cc1)C(=O)O)C",null,"Cc1ccc(C(=O)O)cc1C","Cc1c(cc(cc1)C(=O)O)C",null,"Cc1ccc(C(=O)O)cc1C","Cc1c(cc(cc1)C(=O)O)C"]
[2470,"619-25-0","O=[N+]([O-])c1cccc(CO)c1","O=[N+]([O-])c1cc(ccc1)CO",null,"O=[N+]([O-])c1cccc(CO)c1","O=[N+]([O-])c1cc(ccc1)CO",null,"O=[N+]([O-])c1cccc(CO)c1","O=[N+]([O-])c1cc(ccc1)CO",null,"O=[N+]([O-])c1cccc(CO)c1","O=[N+]([O-])c1cc(ccc1)CO"]
[2471,"619-45-4","COC(=O)c1ccc(N)cc1","COC(=O)c1ccc(cc1)N",null,"COC(=O)c1ccc(N)cc1","COC(=O)c1ccc(cc1)N",null,"COC(=O)c1ccc(N)cc1","COC(=O)c1ccc(cc1)N",null,"COC(=O)c1ccc(N)cc1","COC(=O)c1ccc(cc1)N"]
[2472,"619-58-9","O=C(O)c1ccc(I)cc1","O=C(O)c1ccc(cc1)I",null,"O=C(O)c1ccc(I)cc1","O=C(O)c1ccc(cc1)I",null,"O=C(O)c1ccc(I)cc1","O=C(O)c1ccc(cc1)I",null,"O=C(O)c1ccc(I)cc1","O=C(O)c1ccc(cc1)I"]
[2473,"619-65-8","N#Cc1ccc(C(=O)O)cc1","N#Cc1ccc(cc1)C(=O)O",null,"N#Cc1ccc(C(=O)O)cc1","N#Cc1ccc(cc1)C(=O)O",{"$nulls":4},"N#Cc1ccc(C(=O)O)cc1","N#Cc1ccc(cc1)C(=O)O"]
[2474,"619-73-8","O=[N+]([O-])c1ccc(CO)cc1","O=[N+]([O-])c1ccc(cc1)CO",null,"O=[N+]([O-])c1ccc(CO)cc1","O=[N+]([O-])c1ccc(cc1)CO",null,"O=[N+]([O-])c1ccc(CO)cc1","O=[N+]([O-])c1ccc(cc1)CO",null,"O=[N+]([O-])c1ccc(CO)cc1","O=[N+]([O-])c1ccc(cc1)CO"]
[2475,"619-82-9","O=C(O)C1CCC(C(=O)O)CC1","O=C(O)C1CCC(CC1)C(=O)O",null,"O=C(O)C1CCC(C(=O)O)CC1","O=C(O)C1CCC(CC1)C(=O)O"]
[2476,"619-84-1","CN(C)c1ccc(C(=O)O)cc1","CN(C)c1ccc(cc1)C(=O)O",null,"CN(C)c1ccc(C(=O)O)cc1","CN(C)c1ccc(cc1)C(=O)O",{"$nulls":4},"CN(C)c1ccc(C(=O)O)cc1","CN(C)c1ccc(cc1)C(=O)O"]
[2477,"620-24-6","OCc1cccc(O)c1","OCc1cc(ccc1)O",null,"OCc1cccc(O)c1","OCc1cc(ccc1)O",{"$nulls":4},"OCc1cccc(O)c1","OCc1cc(ccc1)O"]
[2478,"621-03-4","N#CCC(=O)Nc1ccccc1","N#CCC(=O)Nc1ccccc1",null,"N#CCC(=O)Nc1ccccc1","N#CCC(=O)Nc1ccccc1",null,"N#CCC(=O)Nc1ccccc1","N#CCC(=O)Nc1ccccc1",null,"N#CCC(=O)Nc1ccccc1","N#CCC(=O)Nc1ccccc1"]
[2479,"621-37-4","O=C(O)Cc1cccc(O)c1","O=C(O)Cc1cc(ccc1)O",null,"O=C(O)Cc1cccc(O)c1","O=C(O)Cc1cc(ccc1)O",null,"O=C(O)Cc1cccc(O)c1","O=C(O)Cc1cc(ccc1)O",null,"O=C(O)Cc1cccc(O)c1","O=C(O)Cc1cc(ccc1)O"]
[2480,"621-64-7","CCCN(CCC)N=O","CCCN(CCC)N=O",null,"CCCN(CCC)N=O","CCCN(CCC)N=O",null,"CCCN(CCC)N=O","CCCN(CCC)N=O",null,"CCCN(CCC)N=O","CCCN(CCC)N=O"]
[2481,"621-70-5","CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC","CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC",null,"CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC","CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC",null,"CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC","CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC",null,"CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC","CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC"]
[2482,"621-77-2","CCCCCN(CCCCC)CCCCC","CCCCCN(CCCCC)CCCCC",null,"CCCCCN(CCCCC)CCCCC","CCCCCN(CCCCC)CCCCC",null,"CCCCCN(CCCCC)CCCCC","CCCCCN(CCCCC)CCCCC",null,"CCCCCN(CCCCC)CCCCC","CCCCCN(CCCCC)CCCCC"]
[2483,"621-82-9","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1",null,"O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1",null,"O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1",null,"O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1"]
[2484,"621-84-1","NC(=O)OCc1ccccc1","NC(=O)OCc1ccccc1",null,"NC(=O)OCc1ccccc1","NC(=O)OCc1ccccc1",{"$nulls":4},"NC(=O)OCc1ccccc1","NC(=O)OCc1ccccc1"]
[2485,"622-08-2","OCCOCc1ccccc1","OCCOCc1ccccc1",null,"OCCOCc1ccccc1","OCCOCc1ccccc1",null,"OCCOCc1ccccc1","OCCOCc1ccccc1",null,"OCCOCc1ccccc1","OCCOCc1ccccc1"]
[2486,"622-59-3","Cc1ccc(N=C=S)cc1","Cc1ccc(cc1)N=C=S",null,"Cc1ccc(N=C=S)cc1","Cc1ccc(cc1)N=C=S",null,"Cc1ccc(N=C=S)cc1","Cc1ccc(cc1)N=C=S",null,"Cc1ccc(N=C=S)cc1","Cc1ccc(cc1)N=C=S"]
[2487,"622-78-6","S=C=NCc1ccccc1","S=C=NCc1ccccc1",null,"S=C=NCc1ccccc1","S=C=NCc1ccccc1",null,"S=C=NCc1ccccc1","S=C=NCc1ccccc1",null,"S=C=NCc1ccccc1","S=C=NCc1ccccc1"]
[2488,"622-91-3","CNc1ccc(O)cc1","CNc1ccc(cc1)O","CNc1ccc(O)cc1(1), Oc1ccc(O)cc1(1)","CNc1ccc(O)cc1","CNc1ccc(cc1)O","CNc1ccc(O)cc1(1), Oc1ccc(O)cc1(1)","CNc1ccc(O)cc1","CNc1ccc(cc1)O","CNc1ccc(O)cc1(1), Oc1ccc(O)cc1(1)","CNc1ccc(O)cc1","CNc1ccc(cc1)O","CNc1ccc(O)cc1(1), Oc1ccc(O)cc1(1)",null,"Organic counterion"]
[2489,"622-96-8","CCc1ccc(C)cc1","CCc1ccc(cc1)C",null,"CCc1ccc(C)cc1","CCc1ccc(cc1)C",null,"CCc1ccc(C)cc1","CCc1ccc(cc1)C",null,"CCc1ccc(C)cc1","CCc1ccc(cc1)C"]
[2490,"622-97-9","C=Cc1ccc(C)cc1","C=Cc1ccc(cc1)C",null,"C=Cc1ccc(C)cc1","C=Cc1ccc(cc1)C",null,"C=Cc1ccc(C)cc1","C=Cc1ccc(cc1)C",null,"C=Cc1ccc(C)cc1","C=Cc1ccc(cc1)C"]
[2491,"623-05-2","OCc1ccc(O)cc1","OCc1ccc(cc1)O",null,"OCc1ccc(O)cc1","OCc1ccc(cc1)O",null,"OCc1ccc(O)cc1","OCc1ccc(cc1)O",null,"OCc1ccc(O)cc1","OCc1ccc(cc1)O"]
[2492,"623-10-9","Cc1ccc(NO)cc1","Cc1ccc(cc1)NO",null,"Cc1ccc(NO)cc1","Cc1ccc(cc1)NO",null,"Cc1ccc(NO)cc1","Cc1ccc(cc1)NO",null,"Cc1ccc(NO)cc1","Cc1ccc(cc1)NO"]
[2493,"623-12-1","COc1ccc(Cl)cc1","COc1ccc(cc1)Cl",null,"COc1ccc(Cl)cc1","COc1ccc(cc1)Cl",null,"COc1ccc(Cl)cc1","COc1ccc(cc1)Cl",null,"COc1ccc(Cl)cc1","COc1ccc(cc1)Cl"]
[2494,"623-27-8","O=Cc1ccc(C=O)cc1","O=Cc1ccc(cc1)C=O",null,"O=Cc1ccc(C=O)cc1","O=Cc1ccc(cc1)C=O",null,"O=Cc1ccc(C=O)cc1","O=Cc1ccc(cc1)C=O",null,"O=Cc1ccc(C=O)cc1","O=Cc1ccc(cc1)C=O"]
[2495,"623-37-0","CCCC(O)CC","CCCC(O)CC",null,"CCCC(O)CC","CCCC(O)CC",null,"CCCC(O)CC","CCCC(O)CC",null,"CCCC(O)CC","CCCC(O)CC"]
[2496,"623-42-7","CCCC(=O)OC","CCCC(=O)OC",null,"CCCC(=O)OC","CCCC(=O)OC",null,"CCCC(=O)OC","CCCC(=O)OC",null,"CCCC(=O)OC","CCCC(=O)OC"]
[2497,"623-78-9","CCNC(=O)OCC","CCNC(=O)OCC",null,"CCNC(=O)OCC","CCNC(=O)OCC",null,"CCNC(=O)OCC","CCNC(=O)OCC",null,"CCNC(=O)OCC","CCNC(=O)OCC"]
[2498,"623-84-7","CC(O)CO","CC(O)CO","CC(O)=O(2)","CC(=O)OCC(C)OC(C)=O","CC(=O)OCC(C)OC(C)=O",null,"CC(=O)OCC(C)OC(C)=O","CC(=O)OCC(C)OC(C)=O",null,"CC(=O)OCC(C)OC(C)=O","CC(=O)OCC(C)OC(C)=O"]
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[2583,"632-95-1","O=C(O)c1ccnc(C(=O)O)c1C(=O)O","O=C(O)c1c(c(ncc1)C(=O)O)C(=O)O",{"$nulls":4},"O=C(O)c1ccnc(C(=O)O)c1C(=O)O","O=C(O)c1c(c(ncc1)C(=O)O)C(=O)O"]
[2584,"633-12-5","O=C(O)c1c(Br)cc(Br)cc1Br","O=C(O)c1c(cc(cc1Br)Br)Br",null,"O=C(O)c1c(Br)cc(Br)cc1Br","O=C(O)c1c(cc(cc1Br)Br)Br",null,"O=C(O)c1c(Br)cc(Br)cc1Br","O=C(O)c1c(cc(cc1Br)Br)Br",null,"O=C(O)c1c(Br)cc(Br)cc1Br","O=C(O)c1c(cc(cc1Br)Br)Br"]
[2585,"634-64-0","NC(=O)C(O)C(O)C(=O)O","NC(=O)C(O)C(O)C(=O)O",{"$nulls":4},"NC(=O)C(O)C(O)C(=O)O","NC(=O)C(O)C(O)C(=O)O",null,"NC(=O)C(O)C(O)C(=O)O","NC(=O)C(O)C(O)C(=O)O"]
[2586,"634-66-2","Clc1ccc(Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)Cl)Cl)Cl"]
[2587,"634-90-2","Clc1cc(Cl)c(Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)Cl)Cl"]
[2588,"634-93-5","Nc1c(Cl)cc(Cl)cc1Cl","Nc1c(cc(cc1Cl)Cl)Cl",null,"Nc1c(Cl)cc(Cl)cc1Cl","Nc1c(cc(cc1Cl)Cl)Cl",null,"Nc1c(Cl)cc(Cl)cc1Cl","Nc1c(cc(cc1Cl)Cl)Cl",null,"Nc1c(Cl)cc(Cl)cc1Cl","Nc1c(cc(cc1Cl)Cl)Cl"]
[2589,"635-65-4","C=CC1=C(C)C(=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O","C=CC=1C(NC(C1C)=Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)C=C4C(=C(C(N4)=O)C)C=C)C)CCC(=O)O)CCC(=O)O)C)=O",null,"C=CC1=C(C)C(=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O","C=CC=1C(NC(C1C)=Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)C=C4C(=C(C(N4)=O)C)C=C)C)CCC(=O)O)CCC(=O)O)C)=O",null,"C=CC1=C(C)C(=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O","C=CC=1C(NC(C1C)=Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)C=C4C(=C(C(N4)=O)C)C=C)C)CCC(=O)O)CCC(=O)O)C)=O",null,"C=CC1=C(C)C(=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O","C=CC=1C(NC(C1C)=Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)C=C4C(=C(C(N4)=O)C)C=C)C)CCC(=O)O)CCC(=O)O)C)=O"]
[2590,"635-78-9","O=c1ccc2nc3ccc(O)cc3oc-2c1","O=c1cc2-c(cc1)nc3c(cc(cc3)O)o2",null,"O=c1ccc2nc3ccc(O)cc3oc-2c1","O=c1cc2-c(cc1)nc3c(cc(cc3)O)o2",null,"O=c1ccc2nc3ccc(O)cc3oc-2c1","O=c1cc2-c(cc1)nc3c(cc(cc3)O)o2",null,"O=c1ccc2nc3ccc(O)cc3oc-2c1","O=c1cc2-c(cc1)nc3c(cc(cc3)O)o2"]
[2591,"636-26-0",{"$nulls":3},"Cc1c[nH]c(=S)[nH]c1=O","Cc1c([nH]c([nH]c1)=S)=O",{"$nulls":4},"Cc1c[nH]c(=S)[nH]c1=O","Cc1c([nH]c([nH]c1)=S)=O"]
[2592,"636-28-2","Brc1cc(Br)c(Br)cc1Br","Brc1c(cc(c(c1)Br)Br)Br",null,"Brc1cc(Br)c(Br)cc1Br","Brc1c(cc(c(c1)Br)Br)Br",null,"Brc1cc(Br)c(Br)cc1Br","Brc1c(cc(c(c1)Br)Br)Br",null,"Brc1cc(Br)c(Br)cc1Br","Brc1c(cc(c(c1)Br)Br)Br"]
[2593,"636-46-4","O=C(O)c1ccc(O)c(C(=O)O)c1","O=C(O)c1cc(c(cc1)O)C(=O)O",null,"O=C(O)c1ccc(O)c(C(=O)O)c1","O=C(O)c1cc(c(cc1)O)C(=O)O"]
[2594,"636-60-2",{"$nulls":3},"CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O",{"$nulls":4},"CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O"]
[2595,"636-61-3","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O",null,"O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O",null,"O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O",null,"O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O"]
[2596,"636-82-8","O=C(O)C1=CCCCC1","O=C(O)C=1CCCCC1",null,"O=C(O)C1=CCCCC1","O=C(O)C=1CCCCC1",null,"O=C(O)C1=CCCCC1","O=C(O)C=1CCCCC1",null,"O=C(O)C1=CCCCC1","O=C(O)C=1CCCCC1"]
[2597,"637-62-7",{"$nulls":3},"O=Nc1ccc(O)cc1","O=Nc1ccc(cc1)O",{"$nulls":4},"O=C1C=CC(=NO)C=C1","O=C1C=CC(C=C1)=NO"]
[2598,"637-78-5","CCC(=O)OC(C)C","CCC(=O)OC(C)C",null,"CCC(=O)OC(C)C","CCC(=O)OC(C)C",null,"CCC(=O)OC(C)C","CCC(=O)OC(C)C",null,"CCC(=O)OC(C)C","CCC(=O)OC(C)C"]
[2599,"637-87-6","Clc1ccc(I)cc1","Clc1ccc(cc1)I",null,"Clc1ccc(I)cc1","Clc1ccc(cc1)I",null,"Clc1ccc(I)cc1","Clc1ccc(cc1)I",null,"Clc1ccc(I)cc1","Clc1ccc(cc1)I"]
[2600,"637-92-3","CCOC(C)(C)C","CCOC(C)(C)C",null,"CCOC(C)(C)C","CCOC(C)(C)C",null,"CCOC(C)(C)C","CCOC(C)(C)C",null,"CCOC(C)(C)C","CCOC(C)(C)C"]
[2601,"638-17-5",{"$nulls":3},"CC1NC(C)SC(C)S1","CC1SC(SC(N1)C)C"]
[2602,"638-20-0","CC(=O)NC(=O)NC(C)=O","CC(=O)NC(=O)NC(C)=O",null,"CC(=O)NC(=O)NC(C)=O","CC(=O)NC(=O)NC(C)=O",{"$nulls":4},"CC(=O)NC(=O)NC(C)=O","CC(=O)NC(=O)NC(C)=O"]
[2603,"638-53-9","CCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCC(=O)O",null,"CCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCC(=O)O",null,"CCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCC(=O)O",null,"CCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCC(=O)O"]
[2604,"639-58-7","Cl[Sn](c1ccccc1)(c1ccccc1)c1ccccc1","Cl[Sn](c1ccccc1)(c2ccccc2)c3ccccc3",{"$nulls":4},"Cl[Sn](c1ccccc1)(c1ccccc1)c1ccccc1","Cl[Sn](c1ccccc1)(c2ccccc2)c3ccccc3"]
[2605,"640-15-3","CCSCCSP(=S)(OC)OC","CCSCCSP(=S)(OC)OC",null,"CCSCCSP(=S)(OC)OC","CCSCCSP(=S)(OC)OC",null,"CCSCCSP(=S)(OC)OC","CCSCCSP(=S)(OC)OC",null,"CCSCCSP(=S)(OC)OC","CCSCCSP(=S)(OC)OC"]
[2606,"640-19-7","NC(=O)CF","NC(=O)CF",null,"NC(=O)CF","NC(=O)CF",null,"NC(=O)CF","NC(=O)CF",null,"NC(=O)CF","NC(=O)CF"]
[2607,"640-79-9","CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",null,"CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C"]
[2608,"643-12-9","CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1N=C(N)C(=O)O","CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(N)C(=O)O",null,"OC1C(O)C(O)C(O)C(O)C1O","OC1C(C(C(C(C1O)O)O)O)O",null,"OC1C(O)C(O)C(O)C(O)C1O","OC1C(C(C(C(C1O)O)O)O)O"]
[2609,"644-08-6","Cc1ccc(-c2ccccc2)cc1","Cc1ccc(cc1)-c2ccccc2",null,"Cc1ccc(-c2ccccc2)cc1","Cc1ccc(cc1)-c2ccccc2",null,"Cc1ccc(-c2ccccc2)cc1","Cc1ccc(cc1)-c2ccccc2",null,"Cc1ccc(-c2ccccc2)cc1","Cc1ccc(cc1)-c2ccccc2"]
[2610,"644-31-5","CC(=O)OOC(=O)c1ccccc1","CC(=O)OOC(=O)c1ccccc1",null,"CC(=O)OOC(=O)c1ccccc1","CC(=O)OOC(=O)c1ccccc1",null,"CC(=O)OOC(=O)c1ccccc1","CC(=O)OOC(=O)c1ccccc1",null,"CC(=O)OOC(=O)c1ccccc1","CC(=O)OOC(=O)c1ccccc1"]
[2611,"645-05-6",{"$nulls":3},"CN(C)c1nc(N(C)C)nc(N(C)C)n1","CN(C)c1nc(nc(n1)N(C)C)N(C)C",{"$nulls":4},"CN(C)c1nc(N(C)C)nc(N(C)C)n1","CN(C)c1nc(nc(n1)N(C)C)N(C)C"]
[2612,"645-55-6","O=[N+]([O-])Nc1ccccc1","O=[N+]([O-])Nc1ccccc1",null,"O=[N+]([O-])Nc1ccccc1","O=[N+]([O-])Nc1ccccc1",null,"O=[N+]([O-])Nc1ccccc1","O=[N+]([O-])Nc1ccccc1",null,"O=[N+]([O-])Nc1ccccc1","O=[N+]([O-])Nc1ccccc1"]
[2613,"645-56-7","CCCc1ccc(O)cc1","CCCc1ccc(cc1)O",null,"CCCc1ccc(O)cc1","CCCc1ccc(cc1)O",null,"CCCc1ccc(O)cc1","CCCc1ccc(cc1)O",null,"CCCc1ccc(O)cc1","CCCc1ccc(cc1)O"]
[2614,"645-62-5","CCCC=C(C=O)CC","CCCC=C(C=O)CC",null,"CCCC=C(C=O)CC","CCCC=C(C=O)CC",null,"CCCC=C(C=O)CC","CCCC=C(C=O)CC",null,"CCCC=C(C=O)CC","CCCC=C(C=O)CC"]
[2615,"645-92-1","Nc1nc(N)[nH]c(=O)n1","Nc1nc([nH]c(n1)N)=O",null,"Nc1nc(=O)nc(N)[nH]1","Nc1[nH]c(nc(n1)=O)N",null,"Nc1nc(N)[nH]c(=O)n1","Nc1nc([nH]c(n1)N)=O",null,"Nc1nc(N)[nH]c(=O)n1","Nc1nc([nH]c(n1)N)=O"]
[2616,"645-93-2","Nc1nc(=O)[nH]c(=O)[nH]1","Nc1[nH]c([nH]c(n1)=O)=O",null,"Nc1nc(=O)[nH]c(=O)[nH]1","Nc1[nH]c([nH]c(n1)=O)=O",{"$nulls":4},"Nc1nc(=O)[nH]c(=O)[nH]1","Nc1[nH]c([nH]c(n1)=O)=O"]
[2617,"646-04-8","CC=CCC","CC=CCC",null,"CC=CCC","CC=CCC",null,"CC=CCC","CC=CCC",null,"CC=CCC","CC=CCC"]
[2618,"646-06-0",{"$nulls":3},"C1COCO1","C1OCOC1",null,"C1COCO1","C1OCOC1",null,"C1COCO1","C1OCOC1"]
[2619,"651-06-9","COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1","COc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N",null,"COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1","COc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N",null,"COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1","COc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N",null,"COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1","COc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N"]
[2620,"660-88-8","NCCCCC(=O)O","NCCCCC(=O)O",null,"NCCCCC(=O)O","NCCCCC(=O)O",null,"NCCCCC(=O)O","NCCCCC(=O)O",null,"NCCCCC(=O)O","NCCCCC(=O)O"]
[2621,"664-95-9","Cc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2",null,"Cc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2",{"$nulls":4},"Cc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2"]
[2622,"672-15-1","NC(CCO)C(=O)O","NC(CCO)C(=O)O",null,"NC(CCO)C(=O)O","NC(CCO)C(=O)O",null,"NC(CCO)C(=O)O","NC(CCO)C(=O)O"]
[2623,"673-04-1","CCNc1nc(NCC)nc(OC)n1","CCNc1nc(nc(n1)NCC)OC",null,"CCNc1nc(NCC)nc(OC)n1","CCNc1nc(nc(n1)NCC)OC",null,"CCNc1nc(NCC)nc(OC)n1","CCNc1nc(nc(n1)NCC)OC",null,"CCNc1nc(NCC)nc(OC)n1","CCNc1nc(nc(n1)NCC)OC"]
[2624,"673-06-3","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",null,"NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",null,"NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",null,"NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O"]
[2625,"680-31-9","CN(C)P(=O)(N(C)C)N(C)C","CN(C)P(=O)(N(C)C)N(C)C",null,"CN(C)P(=O)(N(C)C)N(C)C","CN(C)P(=O)(N(C)C)N(C)C",null,"CN(C)P(=O)(N(C)C)N(C)C","CN(C)P(=O)(N(C)C)N(C)C",null,"CN(C)P(=O)(N(C)C)N(C)C","CN(C)P(=O)(N(C)C)N(C)C"]
[2626,"682-91-7","CCSS(=O)(=O)CC","CCSS(=O)(=O)CC",null,"CCSS(=O)(=O)CC","CCSS(=O)(=O)CC",null,"CCSS(=O)(=O)CC","CCSS(=O)(=O)CC",null,"CCSS(=O)(=O)CC","CCSS(=O)(=O)CC"]
[2627,"683-18-1","CCCC[Sn](Cl)(Cl)CCCC","CCCC[Sn](Cl)(Cl)CCCC",{"$nulls":4},"CCCC[Sn](Cl)(Cl)CCCC","CCCC[Sn](Cl)(Cl)CCCC",null,"CCCC[Sn](Cl)(Cl)CCCC","CCCC[Sn](Cl)(Cl)CCCC"]
[2628,"683-57-8","NC(=O)CBr","NC(=O)CBr",null,"NC(=O)CBr","NC(=O)CBr",null,"NC(=O)CBr","NC(=O)CBr",null,"NC(=O)CBr","NC(=O)CBr"]
[2629,"683-68-1","ClC(Br)C(Cl)Br","ClC(Br)C(Cl)Br",null,"ClC(Br)C(Cl)Br","ClC(Br)C(Cl)Br"]
[2630,"683-72-7","NC(=O)C(Cl)Cl","NC(=O)C(Cl)Cl",null,"NC(=O)C(Cl)Cl","NC(=O)C(Cl)Cl",null,"NC(=O)C(Cl)Cl","NC(=O)C(Cl)Cl",null,"NC(=O)C(Cl)Cl","NC(=O)C(Cl)Cl"]
[2631,"684-93-5","CN(N=O)C(N)=O","CN(N=O)C(N)=O",null,"CN(N=O)C(N)=O","CN(N=O)C(N)=O",null,"CN(N=O)C(N)=O","CN(N=O)C(N)=O",null,"CN(N=O)C(N)=O","CN(N=O)C(N)=O"]
[2632,"686-14-6","CCOC(=O)NC(C=O)C(O)C(O)C(O)CO","CCOC(=O)NC(C=O)C(O)C(O)C(O)CO",{"$nulls":4},"CCOC(O)=NC(C=O)C(O)C(O)C(O)CO","CCOC(O)=NC(C=O)C(O)C(O)C(O)CO",null,"CCOC(O)=NC(C=O)C(O)C(O)C(O)CO","CCOC(O)=NC(C=O)C(O)C(O)C(O)CO"]
[2633,"689-97-4","C#CC=C","C#CC=C",null,"C#CC=C","C#CC=C",null,"C#CC=C","C#CC=C",null,"C#CC=C","C#CC=C"]
[2634,"691-37-2","C=CCC(C)C","C=CCC(C)C",null,"C=CCC(C)C","C=CCC(C)C",null,"C=CCC(C)C","C=CCC(C)C",null,"C=CCC(C)C","C=CCC(C)C"]
[2635,"693-02-7","C#CCCCC","C#CCCCC",null,"C#CCCCC","C#CCCCC",null,"C#CCCCC","C#CCCCC",null,"C#CCCCC","C#CCCCC"]
[2636,"693-21-0",{"$nulls":3},"O=[N+]([O-])OCCOCCO[N+](=O)[O-]","O=[N+]([O-])OCCOCCO[N+](=O)[O-]",{"$nulls":4},"O=[N+]([O-])OCCOCCO[N+](=O)[O-]","O=[N+]([O-])OCCOCCO[N+](=O)[O-]"]
[2637,"693-23-2","O=C(O)CCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCC(=O)O",null,"O=C(O)CCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCC(=O)O",null,"O=C(O)CCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCC(=O)O",null,"O=C(O)CCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCC(=O)O"]
[2638,"693-54-9","CCCCCCCCC(C)=O","CCCCCCCCC(C)=O",null,"CCCCCCCCC(C)=O","CCCCCCCCC(C)=O",null,"CCCCCCCCC(C)=O","CCCCCCCCC(C)=O",null,"CCCCCCCCC(C)=O","CCCCCCCCC(C)=O"]
[2639,"694-59-7","[O-][n+]1ccccc1","[O-][n+]1ccccc1",null,"[O-][n+]1ccccc1","[O-][n+]1ccccc1",null,"[O-][n+]1ccccc1","[O-][n+]1ccccc1",null,"[O-][n+]1ccccc1","[O-][n+]1ccccc1"]
[2640,"694-80-4","Clc1ccccc1Br","Clc1c(cccc1)Br",null,"Clc1ccccc1Br","Clc1c(cccc1)Br",null,"Clc1ccccc1Br","Clc1c(cccc1)Br",null,"Clc1ccccc1Br","Clc1c(cccc1)Br"]
[2641,"694-85-9","Cn1ccccc1=O","Cn1c(cccc1)=O",null,"Cn1ccccc1=O","Cn1c(cccc1)=O",null,"Cn1ccccc1=O","Cn1c(cccc1)=O",null,"Cn1ccccc1=O","Cn1c(cccc1)=O"]
[2642,"696-33-3","O=I(=O)c1ccccc1","O=I(=O)c1ccccc1",null,"O=I(=O)c1ccccc1","O=I(=O)c1ccccc1",{"$nulls":4},"O=I(=O)c1ccccc1","O=I(=O)c1ccccc1"]
[2643,"696-44-6","CNc1cccc(C)c1","CNc1cc(ccc1)C",null,"CNc1cccc(C)c1","CNc1cc(ccc1)C",null,"CNc1cccc(C)c1","CNc1cc(ccc1)C",null,"CNc1cccc(C)c1","CNc1cc(ccc1)C"]
[2644,"697-82-5","Cc1cc(C)c(C)c(O)c1","Cc1cc(c(c(c1)C)C)O",null,"Cc1cc(C)c(C)c(O)c1","Cc1cc(c(c(c1)C)C)O",null,"Cc1cc(C)c(C)c(O)c1","Cc1cc(c(c(c1)C)C)O",null,"Cc1cc(C)c(C)c(O)c1","Cc1cc(c(c(c1)C)C)O"]
[2645,"698-71-5","CCc1cc(C)cc(O)c1","CCc1cc(cc(c1)C)O",null,"CCc1cc(C)cc(O)c1","CCc1cc(cc(c1)C)O",null,"CCc1cc(C)cc(O)c1","CCc1cc(cc(c1)C)O",null,"CCc1cc(C)cc(O)c1","CCc1cc(cc(c1)C)O"]
[2646,"700-12-9","Cc1cc(C)c(C)c(C)c1C","Cc1c(c(c(c(c1)C)C)C)C",null,"Cc1cc(C)c(C)c(C)c1C","Cc1c(c(c(c(c1)C)C)C)C",null,"Cc1cc(C)c(C)c(C)c1C","Cc1c(c(c(c(c1)C)C)C)C",null,"Cc1cc(C)c(C)c(C)c1C","Cc1c(c(c(c(c1)C)C)C)C"]
[2647,"700-38-9","Cc1ccc([N+](=O)[O-])c(O)c1","Cc1cc(c(cc1)[N+](=O)[O-])O",null,"Cc1ccc([N+](=O)[O-])c(O)c1","Cc1cc(c(cc1)[N+](=O)[O-])O",null,"Cc1ccc([N+](=O)[O-])c(O)c1","Cc1cc(c(cc1)[N+](=O)[O-])O",null,"Cc1ccc([N+](=O)[O-])c(O)c1","Cc1cc(c(cc1)[N+](=O)[O-])O"]
[2648,"700-47-0","Oc1ncnc2nccnc12","Oc1c2c(ncn1)nccn2",null,"O=c1nc[nH]c2nccnc12","O=c1c2c([nH]cn1)nccn2",{"$nulls":4},"O=c1nc[nH]c2nccnc12","O=c1c2c([nH]cn1)nccn2"]
[2649,"700-81-2","Nc1ncc2nccnc2n1","Nc1nc2c(cn1)nccn2",{"$nulls":4},"Nc1ncc2nccnc2n1","Nc1nc2c(cn1)nccn2",null,"Nc1ncc2nccnc2n1","Nc1nc2c(cn1)nccn2"]
[2650,"706-78-5","ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl","ClC=1C(C(C(C1Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl",null,"ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl","ClC=1C(C(C(C1Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl",null,"ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl","ClC=1C(C(C(C1Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl",null,"ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl","ClC=1C(C(C(C1Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl"]
[2651,"708-79-2","Cn1c(=O)[nH]c2[nH]c(=O)[nH]c2c1=O","Cn1c(c2c([nH]c1=O)[nH]c(=O)[nH]2)=O",null,"Cn1c(=O)[nH]c2[nH]c(=O)[nH]c2c1=O","Cn1c(c2c([nH]c1=O)[nH]c(=O)[nH]2)=O",{"$nulls":4},"Cn1c(=O)[nH]c2[nH]c(=O)[nH]c2c1=O","Cn1c(c2c([nH]c1=O)[nH]c(=O)[nH]2)=O"]
[2652,"709-16-0","NC(Cc1ccccc1O)C(=O)O","NC(Cc1c(cccc1)O)C(=O)O",null,"NC(Cc1ccccc1O)C(=O)O","NC(Cc1c(cccc1)O)C(=O)O"]
[2653,"709-72-8","NC(=S)Nc1ccccc1[N+](=O)[O-]","NC(=S)Nc1c(cccc1)[N+](=O)[O-]",null,"NC(=S)Nc1cccc([N+](=O)[O-])c1","NC(=S)Nc1cc(ccc1)[N+](=O)[O-]",{"$nulls":4},"NC(=S)Nc1cccc([N+](=O)[O-])c1","NC(=S)Nc1cc(ccc1)[N+](=O)[O-]"]
[2654,"709-98-8","CCC(=O)Nc1ccc(Cl)c(Cl)c1","CCC(=O)Nc1cc(c(cc1)Cl)Cl",null,"CCC(=O)Nc1ccc(Cl)c(Cl)c1","CCC(=O)Nc1cc(c(cc1)Cl)Cl",null,"CCC(=O)Nc1ccc(Cl)c(Cl)c1","CCC(=O)Nc1cc(c(cc1)Cl)Cl",null,"CCC(=O)Nc1ccc(Cl)c(Cl)c1","CCC(=O)Nc1cc(c(cc1)Cl)Cl"]
[2655,"715-99-1",{"$nulls":3},"Cc1nn(-c2ccccc2)c(C)c1N=O","Cc1c(c(n(n1)-c2ccccc2)C)N=O",{"$nulls":4},"Cc1nn(-c2ccccc2)c(C)c1N=O","Cc1c(c(n(n1)-c2ccccc2)C)N=O"]
[2656,"721-71-1",{"$nulls":3},"NC(=O)NN=CC=Cc1ccc([N+](=O)[O-])o1","NC(=O)NN=CC=Cc1oc(cc1)[N+](=O)[O-]"]
[2657,"723-46-6","Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1","Cc1onc(c1)NS(=O)(=O)c2ccc(cc2)N",null,"Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1","Cc1onc(c1)NS(=O)(=O)c2ccc(cc2)N",null,"Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1","Cc1onc(c1)NS(=O)(=O)c2ccc(cc2)N",null,"Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1","Cc1onc(c1)NS(=O)(=O)c2ccc(cc2)N"]
[2658,"723-47-7",{"$nulls":9},"Cc1nc(NS(=O)(=O)c2ccc(N)cc2)no1","Cc1onc(n1)NS(=O)(=O)c2ccc(cc2)N"]
[2659,"723-62-6","O=C(O)c1c2ccccc2cc2ccccc12","O=C(O)c1c2c(cc3c1cccc3)cccc2",null,"O=C(O)c1c2ccccc2cc2ccccc12","O=C(O)c1c2c(cc3c1cccc3)cccc2",null,"O=C(O)c1c2ccccc2cc2ccccc12","O=C(O)c1c2c(cc3c1cccc3)cccc2",null,"O=C(O)c1c2ccccc2cc2ccccc12","O=C(O)c1c2c(cc3c1cccc3)cccc2"]
[2660,"729-99-7","Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C","Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C",null,"Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C","Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C",null,"Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C","Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C",null,"Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C","Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C"]
[2661,"731-27-1","Cc1ccc(N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C)cc1","Cc1ccc(cc1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C",null,"Cc1ccc(N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C)cc1","Cc1ccc(cc1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C",null,"Cc1ccc(N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C)cc1","Cc1ccc(cc1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C",null,"Cc1ccc(N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C)cc1","Cc1ccc(cc1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C"]
[2662,"732-11-6","COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O","COP(=S)(OC)SCN1C(c2c(C1=O)cccc2)=O",null,"COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O","COP(=S)(OC)SCN1C(c2c(C1=O)cccc2)=O",null,"COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O","COP(=S)(OC)SCN1C(c2c(C1=O)cccc2)=O",null,"COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O","COP(=S)(OC)SCN1C(c2c(C1=O)cccc2)=O"]
[2663,"732-26-3","CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1","CC(C)(C)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C",null,"CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1","CC(C)(C)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C",null,"CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1","CC(C)(C)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C",null,"CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1","CC(C)(C)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C"]
[2664,"738-70-5","COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC","COc1c(c(cc(c1)Cc2c(nc(nc2)N)N)OC)OC",null,"COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC","COc1c(c(cc(c1)Cc2c(nc(nc2)N)N)OC)OC",null,"COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC","COc1c(c(cc(c1)Cc2c(nc(nc2)N)N)OC)OC",null,"COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC","COc1c(c(cc(c1)Cc2c(nc(nc2)N)N)OC)OC"]
[2665,"741-58-2","CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1","CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1",null,"CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1","CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1",null,"CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1","CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1",null,"CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1","CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1"]
[2666,"751-97-3","CN(C)C1C(=O)C(=C(O)NCN2CCCC2)C(=O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3CC12","CN(C)C1C2C(C(C(C1=O)=C(O)NCN3CCCC3)=O)(O)C(=O)C=4C(C(c5c(C4O)c(O)ccc5)(C)O)C2",null,"CN(C)C1C(=O)C(=C(O)NCN2CCCC2)C(=O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3CC12","CN(C)C1C2C(C(C(C1=O)=C(O)NCN3CCCC3)=O)(O)C(=O)C=4C(C(c5c(C4O)c(O)ccc5)(C)O)C2","O[N+]([O-])=O(1)","CN(C)C1C(O)=C(C(=O)NCN2CCCC2)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12","CN(C)C1C2C(C(C(=C1O)C(=O)NCN3CCCC3)=O)(O)C(O)=C4C(C(c5c(C4=O)c(O)ccc5)(C)O)C2",null,"CN(C)C1C(O)=C(C(=O)NCN2CCCC2)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12","CN(C)C1C2C(C(C(=C1O)C(=O)NCN3CCCC3)=O)(O)C(O)=C4C(C(c5c(C4=O)c(O)ccc5)(C)O)C2"]
[2667,"753-73-1","C[Sn](C)(Cl)Cl","C[Sn](C)(Cl)Cl",{"$nulls":4},"C[Sn](C)(Cl)Cl","C[Sn](C)(Cl)Cl",null,"C[Sn](C)(Cl)Cl","C[Sn](C)(Cl)Cl"]
[2668,"756-79-6","COP(C)(=O)OC","COP(C)(=O)OC",null,"COP(C)(=O)OC","COP(C)(=O)OC",null,"COP(C)(=O)OC","COP(C)(=O)OC",null,"COP(C)(=O)OC","COP(C)(=O)OC"]
[2669,"757-58-4","CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC","CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC",null,"CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC","CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC"]
[2670,"759-73-9","CCN(N=O)C(N)=O","CCN(N=O)C(N)=O",null,"CCN(N=O)C(N)=O","CCN(N=O)C(N)=O",null,"CCN(N=O)C(N)=O","CCN(N=O)C(N)=O",null,"CCN(N=O)C(N)=O","CCN(N=O)C(N)=O"]
[2671,"759-94-4",{"$nulls":3},"CCCN(CCC)C(=O)SCC","CCCN(CCC)C(=O)SCC",null,"CCCN(CCC)C(=O)SCC","CCCN(CCC)C(=O)SCC",null,"CCCN(CCC)C(=O)SCC","CCCN(CCC)C(=O)SCC"]
[2672,"760-23-6","C=CC(Cl)CCl","C=CC(Cl)CCl",null,"C=CC(Cl)CCl","C=CC(Cl)CCl",null,"C=CC(Cl)CCl","C=CC(Cl)CCl",null,"C=CC(Cl)CCl","C=CC(Cl)CCl"]
[2673,"760-54-3","CCCCCCCC(C(=O)O)C(=O)O","CCCCCCCC(C(=O)O)C(=O)O",null,"CCCCCCCC(C(=O)O)C(=O)O","CCCCCCCC(C(=O)O)C(=O)O",{"$nulls":4},"CCCCCCCC(C(=O)O)C(=O)O","CCCCCCCC(C(=O)O)C(=O)O"]
[2674,"760-55-4","CCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCC(C(=O)O)C(=O)O",null,"CCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCC(C(=O)O)C(=O)O",{"$nulls":4},"CCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCC(C(=O)O)C(=O)O"]
[2675,"760-78-1","CCCC(N)C(=O)O","CCCC(N)C(=O)O",null,"CCCC(N)C(=O)O","CCCC(N)C(=O)O",null,"CCCC(N)C(=O)O","CCCC(N)C(=O)O",null,"CCCC(N)C(=O)O","CCCC(N)C(=O)O"]
[2676,"762-50-5","FCCCl","FCCCl",null,"FCCCl","FCCCl",null,"FCCCl","FCCCl",null,"FCCCl","FCCCl"]
[2677,"763-29-1","C=C(C)CCC","C=C(C)CCC",null,"C=C(C)CCC","C=C(C)CCC",null,"C=C(C)CCCC","C=C(C)CCCC",null,"C=C(C)CCCC","C=C(C)CCCC"]
[2678,"763-69-9","CCOCCC(=O)OCC","CCOCCC(=O)OCC",null,"CCOCCC(=O)OCC","CCOCCC(=O)OCC",null,"CCOCCC(=O)OCC","CCOCCC(=O)OCC",null,"CCOCCC(=O)OCC","CCOCCC(=O)OCC"]
[2679,"764-13-6","CC(C)=CC=C(C)C","CC(C)=CC=C(C)C",null,"CC(C)=CC=C(C)C","CC(C)=CC=C(C)C",null,"CC(C)=CC=C(C)C","CC(C)=CC=C(C)C",null,"CC(C)=CC=C(C)C","CC(C)=CC=C(C)C"]
[2680,"764-41-0","ClCC=CCCl","ClCC=CCCl",null,"ClCC=CCCl","ClCC=CCCl",null,"ClCC=CCCl","ClCC=CCCl",null,"ClCC=CCCl","ClCC=CCCl"]
[2681,"765-34-4","O=CC1CO1","O=CC1OC1",null,"O=CC1CO1","O=CC1OC1",null,"O=CC1CO1","O=CC1OC1",null,"O=CC1CO1","O=CC1OC1"]
[2682,"766-51-8","COc1ccccc1Cl","COc1c(cccc1)Cl",null,"COc1ccccc1Cl","COc1c(cccc1)Cl",null,"COc1ccccc1Cl","COc1c(cccc1)Cl",null,"COc1ccccc1Cl","COc1c(cccc1)Cl"]
[2683,"767-15-7","Cc1cc(C)nc(N)n1","Cc1nc(nc(c1)C)N",null,"Cc1cc(C)nc(N)n1","Cc1nc(nc(c1)C)N",null,"Cc1cc(C)nc(N)n1","Cc1nc(nc(c1)C)N",null,"Cc1cc(C)nc(N)n1","Cc1nc(nc(c1)C)N"]
[2684,"767-92-0","C1CCC2NCCCC2C1","C1CC2C(CC1)NCCC2",null,"C1CCC2NCCCC2C1","C1CC2C(CC1)NCCC2",null,"C1CCC2NCCCC2C1","C1CC2C(CC1)NCCC2",null,"C1CCC2NCCCC2C1","C1CC2C(CC1)NCCC2"]
[2685,"770-35-4","CC(O)COc1ccccc1","CC(O)COc1ccccc1",null,"CC(O)COc1ccccc1","CC(O)COc1ccccc1",null,"CC(O)COc1ccccc1","CC(O)COc1ccccc1",null,"CC(O)COc1ccccc1","CC(O)COc1ccccc1"]
[2686,"776-35-2","c1ccc2c(c1)CCc1ccccc1-2","c1cc2c(cc1)-c3c(CC2)cccc3",null,"c1ccc2c(c1)CCc1ccccc1-2","c1cc2c(cc1)-c3c(CC2)cccc3",null,"c1ccc2c(c1)CCc1ccccc1-2","c1cc2c(cc1)-c3c(CC2)cccc3",null,"c1ccc2c(c1)CCc1ccccc1-2","c1cc2c(cc1)-c3c(CC2)cccc3"]
[2687,"779-02-2","Cc1c2ccccc2cc2ccccc12","Cc1c2c(cc3c1cccc3)cccc2",null,"Cc1c2ccccc2cc2ccccc12","Cc1c2c(cc3c1cccc3)cccc2",null,"Cc1c2ccccc2cc2ccccc12","Cc1c2c(cc3c1cccc3)cccc2",null,"Cc1c2ccccc2cc2ccccc12","Cc1c2c(cc3c1cccc3)cccc2"]
[2688,"781-43-1","Cc1c2ccccc2c(C)c2ccccc12","Cc1c2c(c(c3c1cccc3)C)cccc2",null,"Cc1c2ccccc2c(C)c2ccccc12","Cc1c2c(c(c3c1cccc3)C)cccc2",null,"Cc1c2ccccc2c(C)c2ccccc12","Cc1c2c(c(c3c1cccc3)C)cccc2",null,"Cc1c2ccccc2c(C)c2ccccc12","Cc1c2c(c(c3c1cccc3)C)cccc2"]
[2689,"786-19-6",{"$nulls":3},"CCOP(=S)(OCC)SCSc1ccc(Cl)cc1","CCOP(=S)(OCC)SCSc1ccc(cc1)Cl",null,"CCOP(=S)(OCC)SCSc1ccc(Cl)cc1","CCOP(=S)(OCC)SCSc1ccc(cc1)Cl",null,"CCOP(=S)(OCC)SCSc1ccc(Cl)cc1","CCOP(=S)(OCC)SCSc1ccc(cc1)Cl"]
[2690,"787-84-8","O=C(NNC(=O)c1ccccc1)c1ccccc1","O=C(NNC(=O)c1ccccc1)c2ccccc2",null,"O=C(NNC(=O)c1ccccc1)c1ccccc1","O=C(NNC(=O)c1ccccc1)c2ccccc2",null,"O=C(NNC(=O)c1ccccc1)c1ccccc1","O=C(NNC(=O)c1ccccc1)c2ccccc2",null,"O=C(NNC(=O)c1ccccc1)c1ccccc1","O=C(NNC(=O)c1ccccc1)c2ccccc2"]
[2691,"789-02-6","Clc1ccc(C(c2ccccc2Cl)C(Cl)(Cl)Cl)cc1","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)(Cl)Cl",null,"Clc1ccc(C(c2ccccc2Cl)C(Cl)(Cl)Cl)cc1","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)(Cl)Cl",null,"Clc1ccc(C(c2ccccc2Cl)C(Cl)(Cl)Cl)cc1","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)(Cl)Cl",null,"Clc1ccc(C(c2ccccc2Cl)C(Cl)(Cl)Cl)cc1","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)(Cl)Cl"]
[2692,"803-45-2"]
[2693,"814-22-2","CCCOP(=O)(OCC)OCC","CCCOP(=O)(OCC)OCC",null,"CCCOP(=O)(OCC)OCC","CCCOP(=O)(OCC)OCC",null,"CCCOP(=O)(OCC)OCC","CCCOP(=O)(OCC)OCC",null,"CCCOP(=O)(OCC)OCC","CCCOP(=O)(OCC)OCC"]
[2694,"814-29-9","CCCCP(=O)(CCCC)CCCC","CCCCP(=O)(CCCC)CCCC",null,"CCCCP(=O)(CCCC)CCCC","CCCCP(=O)(CCCC)CCCC",null,"CCCCP(=O)(CCCC)CCCC","CCCCP(=O)(CCCC)CCCC",null,"CCCCP(=O)(CCCC)CCCC","CCCCP(=O)(CCCC)CCCC"]
[2695,"818-38-2","CCOC(=O)CCCC(=O)OCC","CCOC(=O)CCCC(=O)OCC",null,"CCOC(=O)CCCC(=O)OCC","CCOC(=O)CCCC(=O)OCC",null,"CCOC(=O)CCCC(=O)OCC","CCOC(=O)CCCC(=O)OCC",null,"CCOC(=O)CCCC(=O)OCC","CCOC(=O)CCCC(=O)OCC"]
[2696,"818-61-1","C=CC(=O)OCCO","C=CC(=O)OCCO",null,"C=CC(=O)OCCO","C=CC(=O)OCCO",null,"C=CC(=O)OCCO","C=CC(=O)OCCO",null,"C=CC(=O)OCCO","C=CC(=O)OCCO"]
[2697,"819-17-0","O=S(=O)([O-])CS(=O)(=O)[O-]","O=S(=O)(O)CS(=O)(=O)O","[Ca+2](1)","O=S(=O)([O-])CS(=O)(=O)[O-]","O=S(=O)(O)CS(=O)(=O)O","[Ca+2](1)","O=S(=O)([O-])CS(=O)(=O)[O-]","O=S(=O)(O)CS(=O)(=O)O","[Ca+2](1)","O=S(=O)([O-])CS(=O)(=O)[O-]","O=S(=O)(O)CS(=O)(=O)O","[Ca+2](1)"]
[2698,"821-09-0","C=CCCCO","C=CCCCO",null,"C=CCCCO","C=CCCCO",null,"C=CCCCO","C=CCCCO",null,"C=CCCCO","C=CCCCO"]
[2699,"821-33-0","CC(O)CCOCCC(C)O","CC(O)CCOCCC(C)O",null,"CC(O)CCOCCC(C)O","CC(O)CCOCCC(C)O",null,"CC(O)CCOCCC(C)O","CC(O)CCOCCC(C)O",null,"CC(O)CCOCCC(C)O","CC(O)CCOCCC(C)O"]
[2700,"821-38-5","O=C(O)CCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCC(=O)O",null,"O=C(O)CCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCC(=O)O",null,"O=C(O)CCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCC(=O)O",null,"O=C(O)CCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCC(=O)O"]
[2701,"821-55-6","CCCCCCCC(C)=O","CCCCCCCC(C)=O",null,"CCCCCCCC(C)=O","CCCCCCCC(C)=O",null,"CCCCCCCC(C)=O","CCCCCCCC(C)=O",null,"CCCCCCCC(C)=O","CCCCCCCC(C)=O"]
[2702,"822-83-3","CC(C)C1OCCO1","CC(C)C1OCCO1",null,"CC(C)C1OCCO1","CC(C)C1OCCO1",null,"CC(C)C1OCCO1","CC(C)C1OCCO1",null,"CC(C)C1OCCO1","CC(C)C1OCCO1"]
[2703,"823-09-6","CSc1ncccn1","CSc1ncccn1",{"$nulls":4},"CSc1ncccn1","CSc1ncccn1",null,"CSc1ncccn1","CSc1ncccn1"]
[2704,"826-91-5"]
[2705,"828-00-2","CC1CC(O)OC(C)O1","CC1OC(OC(C1)O)C","CC(O)=O(1)","CC(=O)OC1CC(C)OC(C)O1","CC(=O)OC1OC(OC(C1)C)C",null,"CC(=O)OC1CC(C)OC(C)O1","CC(=O)OC1OC(OC(C1)C)C",null,"CC(=O)OC1CC(C)OC(C)O1","CC(=O)OC1OC(OC(C1)C)C"]
[2706,"829-26-5","Cc1ccc2cc(C)c(C)cc2c1","Cc1cc2c(cc1)cc(C)c(C)c2",null,"Cc1ccc2cc(C)c(C)cc2c1","Cc1cc2c(cc1)cc(C)c(C)c2",null,"Cc1ccc2cc(C)c(C)cc2c1","Cc1cc2c(cc1)cc(C)c(C)c2",null,"Cc1ccc2cc(C)c(C)cc2c1","Cc1cc2c(cc1)cc(C)c(C)c2"]
[2707,"830-09-1","COc1ccc(C=CC(=O)O)cc1","COc1ccc(cc1)C=CC(=O)O",null,"COc1ccc(C=CC(=O)O)cc1","COc1ccc(cc1)C=CC(=O)O",null,"COc1ccc(C=CC(=O)O)cc1","COc1ccc(cc1)C=CC(=O)O",null,"COc1ccc(C=CC(=O)O)cc1","COc1ccc(cc1)C=CC(=O)O"]
[2708,"830-65-9",{"$nulls":3},"Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C","Cc1[nH]c2c(n1)n(c(n(c2=O)C)=O)C",{"$nulls":4},"Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C","Cc1[nH]c2c(n1)n(c(n(c2=O)C)=O)C"]
[2709,"832-66-6",{"$nulls":3},"Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C","Cc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",{"$nulls":4},"Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C","Cc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C"]
[2710,"832-69-9","Cc1cccc2c1ccc1ccccc12","Cc1c2c(ccc1)c3c(cc2)cccc3",null,"Cc1cccc2c1ccc1ccccc12","Cc1c2c(ccc1)c3c(cc2)cccc3",null,"Cc1cccc2c1ccc1ccccc12","Cc1c2c(ccc1)c3c(cc2)cccc3",null,"Cc1cccc2c1ccc1ccccc12","Cc1c2c(ccc1)c3c(cc2)cccc3"]
[2711,"834-12-8","CCNc1nc(NC(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)C)SC",null,"CCNc1nc(NC(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)C)SC",null,"CCNc1nc(NC(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)C)SC",null,"CCNc1nc(NC(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)C)SC"]
[2712,"840-97-1","CCOC(=O)C(Cc1ccc(O)cc1)NC(C)=O","CCOC(=O)C(Cc1ccc(cc1)O)NC(C)=O",null,"CCOC(=O)C(Cc1ccc(O)cc1)NC(C)=O","CCOC(=O)C(Cc1ccc(cc1)O)NC(C)=O",null,"CCOC(=O)C(Cc1ccc(O)cc1)N=C(C)O","CCOC(=O)C(Cc1ccc(cc1)O)N=C(C)O",null,"CCOC(=O)C(Cc1ccc(O)cc1)N=C(C)O","CCOC(=O)C(Cc1ccc(cc1)O)N=C(C)O"]
[2713,"841-06-5","COCCCNc1nc(NC(C)C)nc(SC)n1","COCCCNc1nc(nc(n1)NC(C)C)SC",null,"COCCCNc1nc(NC(C)C)nc(SC)n1","COCCCNc1nc(nc(n1)NC(C)C)SC",null,"COCCCNc1nc(NC(C)C)nc(SC)n1","COCCCNc1nc(nc(n1)NC(C)C)SC",null,"COCCCNc1nc(NC(C)C)nc(SC)n1","COCCCNc1nc(nc(n1)NC(C)C)SC"]
[2714,"845-52-3",{"$nulls":3},"COCCCNc1nc(NCCCOC)nc(SC)n1","COCCCNc1nc(nc(n1)NCCCOC)SC",{"$nulls":4},"COCCCNc1nc(NCCCOC)nc(SC)n1","COCCCNc1nc(nc(n1)NCCCOC)SC"]
[2715,"846-49-1","O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O","O=C1C(N=C(c2c(N1)ccc(Cl)c2)c3c(cccc3)Cl)O",null,"O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O","O=C1C(N=C(c2c(N1)ccc(Cl)c2)c3c(cccc3)Cl)O",null,"O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O","O=C1C(N=C(c2c(N1)ccc(Cl)c2)c3c(cccc3)Cl)O",null,"O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O","O=C1C(N=C(c2c(N1)ccc(Cl)c2)c3c(cccc3)Cl)O"]
[2716,"853-23-6",{"$nulls":3},"CC(=O)OC1CCC2(C)C(=CCC3C4CCC(=O)C4(C)CCC32)C1","CC(=O)OC1CC=2C(CC1)(C3C(CC2)C4C(C(CC4)=O)(C)CC3)C",{"$nulls":4},"CC(=O)OC1CCC2(C)C(=CCC3C4CCC(=O)C4(C)CCC32)C1","CC(=O)OC1CC=2C(CC1)(C3C(CC2)C4C(C(CC4)=O)(C)CC3)C"]
[2717,"853-34-9","CC(=O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O","CC(=O)CCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O",null,"CC(=O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O","CC(=O)CCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O",null,"CC(=O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O","CC(=O)CCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O",null,"CC(=O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O","CC(=O)CCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O"]
[2718,"866-23-9",{"$nulls":3},"CCOP(=O)(OCC)C(Cl)(Cl)Cl","CCOP(=O)(OCC)C(Cl)(Cl)Cl",{"$nulls":4},"CCOP(=O)(OCC)C(Cl)(Cl)Cl","CCOP(=O)(OCC)C(Cl)(Cl)Cl"]
[2719,"866-84-2","O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-]","O=C(O)CC(O)(CC(=O)O)C(=O)O","[K+](3)","O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-]","O=C(O)CC(O)(CC(=O)O)C(=O)O","[K+](3)",{"$nulls":3},"O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-]","O=C(O)CC(O)(CC(=O)O)C(=O)O","[K+](3)"]
[2720,"868-77-9","C=C(C)C(=O)OCCO","C=C(C)C(=O)OCCO",null,"C=C(C)C(=O)OCCO","C=C(C)C(=O)OCCO",null,"C=C(C)C(=O)OCCO","C=C(C)C(=O)OCCO",null,"C=C(C)C(=O)OCCO","C=C(C)C(=O)OCCO"]
[2721,"869-29-4","C=CC(CC(=O)[O-])CC(=O)[O-]","C=CC(CC(=O)O)CC(=O)O",null,"C=CC(OC(C)=O)OC(C)=O","C=CC(OC(C)=O)OC(C)=O",null,"C=CC(OC(C)=O)OC(C)=O","C=CC(OC(C)=O)OC(C)=O",null,"C=CC(OC(C)=O)OC(C)=O","C=CC(OC(C)=O)OC(C)=O"]
[2722,"871-78-3","CC(=O)NCCNC(C)=O","CC(=O)NCCNC(C)=O",null,"CC(=O)NCCNC(C)=O","CC(=O)NCCNC(C)=O",null,"CC(=O)NCCNC(C)=O","CC(=O)NCCNC(C)=O",null,"CC(=O)NCCNC(C)=O","CC(=O)NCCNC(C)=O"]
[2723,"872-05-9","C=CCCCCCCCC","C=CCCCCCCCC",null,"C=CCCCCCCCC","C=CCCCCCCCC",null,"C=CCCCCCCCC","C=CCCCCCCCC",null,"C=CCCCCCCCC","C=CCCCCCCCC"]
[2724,"872-50-4","CN1CCCC1=O","CN1C(CCC1)=O",null,"CN1CCCC1=O","CN1C(CCC1)=O",null,"CN1CCCC1=O","CN1C(CCC1)=O",null,"CN1CCCC1=O","CN1C(CCC1)=O"]
[2725,"872-55-9","CCc1cccs1","CCc1sccc1",null,"CCc1cccs1","CCc1sccc1"]
[2726,"873-75-6","OCc1ccc(Br)cc1","OCc1ccc(cc1)Br",null,"OCc1ccc(Br)cc1","OCc1ccc(cc1)Br",null,"OCc1ccc(Br)cc1","OCc1ccc(cc1)Br",null,"OCc1ccc(Br)cc1","OCc1ccc(cc1)Br"]
[2727,"873-76-7","OCc1ccc(Cl)cc1","OCc1ccc(cc1)Cl",null,"OCc1ccc(Cl)cc1","OCc1ccc(cc1)Cl",null,"OCc1ccc(Cl)cc1","OCc1ccc(cc1)Cl",null,"OCc1ccc(Cl)cc1","OCc1ccc(cc1)Cl"]
[2728,"877-24-7","O=C([O-])c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(=O)O","[K+](1)","O=C([O-])c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(=O)O","[K+](1)","O=C([O-])c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(=O)O","[K+](1)","O=C([O-])c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(=O)O","[K+](1)"]
[2729,"879-39-0","O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(c(c1)Cl)Cl)Cl)Cl",null,"O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(c(c1)Cl)Cl)Cl)Cl",null,"O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(c(c1)Cl)Cl)Cl)Cl",null,"O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(c(c1)Cl)Cl)Cl)Cl"]
[2730,"884-43-5","CCOc1nc(OCC)nc(OCC)n1","CCOc1nc(nc(n1)OCC)OCC",null,"CCOc1nc(OCC)nc(OCC)n1","CCOc1nc(nc(n1)OCC)OCC",{"$nulls":4},"CCOc1nc(OCC)nc(OCC)n1","CCOc1nc(nc(n1)OCC)OCC"]
[2731,"885-82-5","O=[N+]([O-])c1cc(-c2ccccc2)ccc1O","O=[N+]([O-])c1c(ccc(c1)-c2ccccc2)O",null,"O=[N+]([O-])c1cc(-c2ccccc2)ccc1O","O=[N+]([O-])c1c(ccc(c1)-c2ccccc2)O",{"$nulls":4},"O=[N+]([O-])c1cc(-c2ccccc2)ccc1O","O=[N+]([O-])c1c(ccc(c1)-c2ccccc2)O"]
[2732,"886-50-0","CCNc1nc(NC(C)(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)(C)C)SC",null,"CCNc1nc(NC(C)(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)(C)C)SC",null,"CCNc1nc(NC(C)(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)(C)C)SC",null,"CCNc1nc(NC(C)(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)(C)C)SC"]
[2733,"886-86-2","CCOC(=O)c1cccc(N)c1","CCOC(=O)c1cc(ccc1)N","CS(O)(=O)=O(1)","CCOC(=O)c1cccc(N)c1","CCOC(=O)c1cc(ccc1)N","CS(O)(=O)=O(1)",{"$nulls":3},"CCOC(=O)c1cccc(N)c1","CCOC(=O)c1cc(ccc1)N","CS(O)(=O)=O(1)"]
[2734,"892-21-7","O=[N+]([O-])c1ccc2c3c(cccc13)-c1ccccc1-2","O=[N+]([O-])c1c2c3c(cc1)-c4c(-c3ccc2)cccc4",null,"O=[N+]([O-])c1ccc2c3c(cccc13)-c1ccccc1-2","O=[N+]([O-])c1c2c3c(cc1)-c4c(-c3ccc2)cccc4",null,"O=[N+]([O-])c1ccc2c3c(cccc13)-c1ccccc1-2","O=[N+]([O-])c1c2c3c(cc1)-c4c(-c3ccc2)cccc4",null,"O=[N+]([O-])c1ccc2c3c(cccc13)-c1ccccc1-2","O=[N+]([O-])c1c2c3c(cc1)-c4c(-c3ccc2)cccc4"]
[2735,"900-95-8",{"$nulls":6},"CC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1","CC(=O)O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3",null,"CC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1","CC(=O)O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3"]
[2736,"908-54-3","N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1","N=C(N)c1ccc(cc1)N=NNc2ccc(cc2)C(=N)N","CC(=O)NCC(O)=O(1)","N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1","N=C(N)c1ccc(cc1)N=NNc2ccc(cc2)C(=N)N","CC(=O)NCC(O)=O(1)","N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1","N=C(N)c1ccc(cc1)N=NNc2ccc(cc2)C(=N)N","CC(=O)NCC(O)=O(2)","N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1","N=C(N)c1ccc(cc1)N=NNc2ccc(cc2)C(=N)N","CC(=O)NCC(O)=O(2)",null,"Organic counterion"]
[2737,"914-00-1","C=C1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(=O)C(=C(N)O)C(=O)C(N(C)C)C3C(O)C12","C=C1C2C(=C(c3c1cccc3O)O)C(=O)C4(C(C(C(C(C4=O)=C(N)O)=O)N(C)C)C2O)O",null,"C=C1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(=O)C(=C(N)O)C(=O)C(N(C)C)C3C(O)C12","C=C1C2C(=C(c3c1cccc3O)O)C(=O)C4(C(C(C(C(C4=O)=C(N)O)=O)N(C)C)C2O)O",null,"C=C1c2cccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C12","C=C1C2C(C(c3c1cccc3O)=O)=C(O)C4(C(C(C(=C(C4=O)C(N)=O)O)N(C)C)C2O)O",null,"C=C1c2cccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C12","C=C1C2C(C(c3c1cccc3O)=O)=C(O)C4(C(C(C(=C(C4=O)C(N)=O)O)N(C)C)C2O)O"]
[2738,"919-76-6","COCCNC(=O)CSP(=S)(OC)OC","COCCNC(=O)CSP(=S)(OC)OC",null,"COCCNC(=O)CSP(=S)(OC)OC","COCCNC(=O)CSP(=S)(OC)OC",{"$nulls":4},"COCCNC(=O)CSP(=S)(OC)OC","COCCNC(=O)CSP(=S)(OC)OC"]
[2739,"919-86-8","CCSCCSP(=O)(OC)OC","CCSCCSP(=O)(OC)OC",null,"CCSCCSP(=O)(OC)OC","CCSCCSP(=O)(OC)OC",null,"CCSCCSP(=O)(OC)OC","CCSCCSP(=O)(OC)OC",null,"CCSCCSP(=O)(OC)OC","CCSCCSP(=O)(OC)OC"]
[2740,"919-94-8","CCOC(C)(C)CC","CCOC(C)(C)CC",null,"CCOC(C)(C)CC","CCOC(C)(C)CC",null,"CCOC(C)(C)CC","CCOC(C)(C)CC",null,"CCOC(C)(C)CC","CCOC(C)(C)CC"]
[2741,"920-79-6","CC(C(=O)O)C(C)(C)CCC(=O)O","CC(C(=O)O)C(C)(C)CCC(=O)O",{"$nulls":4},"CC(C(=O)O)C(C)(C)CCC(=O)O","CC(C(=O)O)C(C)(C)CCC(=O)O",null,"CC(C(=O)O)C(C)(C)CCC(=O)O","CC(C(=O)O)C(C)(C)CCC(=O)O"]
[2742,"923-06-8","O=C(O)CC(Br)C(=O)O","O=C(O)CC(Br)C(=O)O",null,"O=C(O)CC(Br)C(=O)O","O=C(O)CC(Br)C(=O)O"]
[2743,"923-18-2"]
[2744,"924-16-3","CCCCN(CCCC)N=O","CCCCN(CCCC)N=O",null,"CCCCN(CCCC)N=O","CCCCN(CCCC)N=O",null,"CCCCN(CCCC)N=O","CCCCN(CCCC)N=O",null,"CCCCN(CCCC)N=O","CCCCN(CCCC)N=O"]
[2745,"924-42-5","C=CC(=O)NCO","C=CC(=O)NCO",null,"C=CC(=O)NCO","C=CC(=O)NCO",null,"C=CC(=O)NCO","C=CC(=O)NCO",null,"C=CC(=O)NCO","C=CC(=O)NCO"]
[2746,"924-57-2"]
[2747,"924-62-9"]
[2748,"925-49-5","CCCC(=O)NCCNC(=O)CCC","CCCC(=O)NCCNC(=O)CCC",null,"CCCC(=O)NCCNC(=O)CCC","CCCC(=O)NCCNC(=O)CCC",null,"CCCC(=O)NCCNC(=O)CCC","CCCC(=O)NCCNC(=O)CCC",null,"CCCC(=O)NCCNC(=O)CCC","CCCC(=O)NCCNC(=O)CCC"]
[2749,"927-49-1","CCCCCC(=O)CCCCC","CCCCCC(=O)CCCCC",null,"CCCCCC(=O)CCCCC","CCCCCC(=O)CCCCC",null,"CCCCCC(=O)CCCCC","CCCCCC(=O)CCCCC",null,"CCCCCC(=O)CCCCC","CCCCCC(=O)CCCCC"]
[2750,"927-68-4","OCCBr","OCCBr","CC(O)=O(1)","CC(=O)OCCBr","CC(=O)OCCBr",null,"CC(=O)OCCBr","CC(=O)OCCBr",null,"CC(=O)OCCBr","CC(=O)OCCBr"]
[2751,"928-45-0","CCCCO[N+](=O)[O-]","CCCCO[N+](=O)[O-]",null,"CCCCO[N+](=O)[O-]","CCCCO[N+](=O)[O-]",null,"CCCCO[N+](=O)[O-]","CCCCO[N+](=O)[O-]",null,"CCCCO[N+](=O)[O-]","CCCCO[N+](=O)[O-]"]
[2752,"928-49-4","CCC#CCC","CCC#CCC",null,"CCC#CCC","CCC#CCC",null,"CCC#CCC","CCC#CCC",null,"CCC#CCC","CCC#CCC"]
[2753,"930-55-2","O=NN1CCCC1","O=NN1CCCC1",null,"O=NN1CCCC1","O=NN1CCCC1",null,"O=NN1CCCC1","O=NN1CCCC1",null,"O=NN1CCCC1","O=NN1CCCC1"]
[2754,"932-83-2","O=NN1CCCCCC1","O=NN1CCCCCC1",null,"O=NN1CCCCCC1","O=NN1CCCCCC1",null,"O=NN1CCCCCC1","O=NN1CCCCCC1",null,"O=NN1CCCCCC1","O=NN1CCCCCC1"]
[2755,"933-75-5","Oc1c(Cl)ccc(Cl)c1Cl","Oc1c(c(ccc1Cl)Cl)Cl",null,"Oc1c(Cl)ccc(Cl)c1Cl","Oc1c(c(ccc1Cl)Cl)Cl",null,"Oc1c(Cl)ccc(Cl)c1Cl","Oc1c(c(ccc1Cl)Cl)Cl",null,"Oc1c(Cl)ccc(Cl)c1Cl","Oc1c(c(ccc1Cl)Cl)Cl"]
[2756,"934-33-8","Cc1nc2c[nH]cnc-2n1","Cc1nc2-c(n1)c[nH]cn2",null,"Cc1nc2ncncc2[nH]1","Cc1[nH]c2c(n1)ncnc2",null,"Cc1nc2ncncc2[nH]1","Cc1[nH]c2c(n1)ncnc2",null,"Cc1nc2ncncc2[nH]1","Cc1[nH]c2c(n1)ncnc2"]
[2757,"935-30-8","O=C1CCCCCCCN1","O=C1NCCCCCCC1",null,"O=C1CCCCCCCN1","O=C1NCCCCCCC1",{"$nulls":4},"O=C1CCCCCCCN1","O=C1NCCCCCCC1"]
[2758,"936-16-3","O=S1(=O)NCc2ccccc21","O=S1(c2c(CN1)cccc2)=O",null,"O=S1(=O)NCc2ccccc21","O=S1(c2c(CN1)cccc2)=O",{"$nulls":4},"O=S1(=O)NCc2ccccc21","O=S1(c2c(CN1)cccc2)=O"]
[2759,"936-40-3","Cc1cnc2cncnc2n1","Cc1nc2c(nc1)cncn2",{"$nulls":4},"Cc1cnc2cncnc2n1","Cc1nc2c(nc1)cncn2",null,"Cc1cnc2cncnc2n1","Cc1nc2c(nc1)cncn2"]
[2760,"937-40-6","CN(Cc1ccccc1)N=O","CN(Cc1ccccc1)N=O",null,"CN(Cc1ccccc1)N=O","CN(Cc1ccccc1)N=O",{"$nulls":4},"CN(Cc1ccccc1)N=O","CN(Cc1ccccc1)N=O"]
[2761,"938-40-9","O=c1cc(Br)c2ccccc2o1","O=c1oc2c(c(c1)Br)cccc2",{"$nulls":4},"O=c1cc(Br)c2ccccc2o1","O=c1oc2c(c(c1)Br)cccc2",null,"O=c1cc(Br)c2ccccc2o1","O=c1oc2c(c(c1)Br)cccc2"]
[2762,"938-86-3","COc1cc(Cl)c(Cl)c(Cl)c1Cl","COc1c(c(c(c(c1)Cl)Cl)Cl)Cl",null,"COc1cc(Cl)c(Cl)c(Cl)c1Cl","COc1c(c(c(c(c1)Cl)Cl)Cl)Cl",null,"COc1cc(Cl)c(Cl)c(Cl)c1Cl","COc1c(c(c(c(c1)Cl)Cl)Cl)Cl",null,"COc1cc(Cl)c(Cl)c(Cl)c1Cl","COc1c(c(c(c(c1)Cl)Cl)Cl)Cl"]
[2763,"939-27-5","CCc1ccc2ccccc2c1","CCc1cc2c(cc1)cccc2",null,"CCc1ccc2ccccc2c1","CCc1cc2c(cc1)cccc2",null,"CCc1ccc2ccccc2c1","CCc1cc2c(cc1)cccc2",null,"CCc1ccc2ccccc2c1","CCc1cc2c(cc1)cccc2"]
[2764,"940-64-7","Cc1ccc(OCC(=O)O)cc1","Cc1ccc(cc1)OCC(=O)O",null,"Cc1ccc(OCC(=O)O)cc1","Cc1ccc(cc1)OCC(=O)O",null,"Cc1ccc(OCC(=O)O)cc1","Cc1ccc(cc1)OCC(=O)O",null,"Cc1ccc(OCC(=O)O)cc1","Cc1ccc(cc1)OCC(=O)O"]
[2765,"943-89-5",{"$nulls":3},"COc1ccc(C=CC(=O)O)cc1","COc1ccc(cc1)C=CC(=O)O",{"$nulls":4},"COc1ccc(C=CC(=O)O)cc1","COc1ccc(cc1)C=CC(=O)O"]
[2766,"944-22-9",null,null,"FONOP(1), OS(1)","CCOP(=S)(CC)Sc1ccccc1","CCOP(=S)(CC)Sc1ccccc1","FONOP[H]OS(1)","CCOP(=S)(CC)Sc1ccccc1","CCOP(=S)(CC)Sc1ccccc1","FONOP[H]OS(1)","CCOP(=S)(CC)Sc1ccccc1","CCOP(=S)(CC)Sc1ccccc1","FONOP[H]OS(1)"]
[2767,"944-61-6","COc1c(Cl)c(Cl)c(Cl)c(Cl)c1OC","COc1c(c(c(c(c1Cl)Cl)Cl)Cl)OC",null,"COc1c(Cl)c(Cl)c(Cl)c(Cl)c1OC","COc1c(c(c(c(c1Cl)Cl)Cl)Cl)OC",null,"COc1c(Cl)c(Cl)c(Cl)c(Cl)c1OC","COc1c(c(c(c(c1Cl)Cl)Cl)Cl)OC",null,"COc1c(Cl)c(Cl)c(Cl)c(Cl)c1OC","COc1c(c(c(c(c1Cl)Cl)Cl)Cl)OC"]
[2768,"947-02-4","CCOP(=O)(N=C1SCCS1)OCC","CCOP(=O)(N=C1SCCS1)OCC",null,"CCOP(=O)(N=C1SCCS1)OCC","CCOP(=O)(N=C1SCCS1)OCC",null,"CCOP(=O)(N=C1SCCS1)OCC","CCOP(=O)(N=C1SCCS1)OCC",null,"CCOP(=O)(N=C1SCCS1)OCC","CCOP(=O)(N=C1SCCS1)OCC"]
[2769,"947-04-6","O=C1CCCCCCCCCCCN1","O=C1NCCCCCCCCCCC1",null,"O=C1CCCCCCCCCCCN1","O=C1NCCCCCCCCCCC1",null,"O=C1CCCCCCCCCCCN1","O=C1NCCCCCCCCCCC1",null,"O=C1CCCCCCCCCCCN1","O=C1NCCCCCCCCCCC1"]
[2770,"950-10-7",{"$nulls":3},"CCOP(=O)(N=C1SCC(C)S1)OCC","CCOP(=O)(N=C1SC(CS1)C)OCC",{"$nulls":4},"CCOP(=O)(N=C1SCC(C)S1)OCC","CCOP(=O)(N=C1SC(CS1)C)OCC"]
[2771,"950-37-8","COc1nn(CSP(=S)(OC)OC)c(=O)s1","COc1sc(n(n1)CSP(=S)(OC)OC)=O",null,"COc1nn(CSP(=S)(OC)OC)c(=O)s1","COc1sc(n(n1)CSP(=S)(OC)OC)=O",null,"COc1nn(CSP(=S)(OC)OC)c(=O)s1","COc1sc(n(n1)CSP(=S)(OC)OC)=O",null,"COc1nn(CSP(=S)(OC)OC)c(=O)s1","COc1sc(n(n1)CSP(=S)(OC)OC)=O"]
[2772,"952-23-8","Nc1ccc2cc3ccc(N)cc3nc2c1","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2","[Cl-](2), [H+](2)","Nc1ccc2cc3ccc(N)cc3nc2c1","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2","Nc1ccc2cc3ccc(N)cc3nc2c1(1), [Cl-](2), O(1), [H+](1)","Nc1ccc2cc3ccc(N)cc3nc2c1","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2","Cl(1)","Nc1ccc2cc3ccc(N)cc3nc2c1","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2","Cl(1)",null,"Organic counterion"]
[2773,"952-54-5",{"$nulls":3},"O=C(NCN1CCOCC1)c1cnccn1","O=C(NCN1CCOCC1)c2nccnc2","[Cl-](1), [H+](1)",{"$nulls":3},"O=C(NCN1CCOCC1)c1cnccn1","O=C(NCN1CCOCC1)c2nccnc2"]
[2774,"953-17-3",{"$nulls":3},"COP(=S)(OC)SCSc1ccc(Cl)cc1","COP(=S)(OC)SCSc1ccc(cc1)Cl",null,"COP(=S)(OC)SCSc1ccc(Cl)cc1","COP(=S)(OC)SCSc1ccc(cc1)Cl",null,"COP(=S)(OC)SCSc1ccc(Cl)cc1","COP(=S)(OC)SCSc1ccc(cc1)Cl"]
[2775,"957-51-7","CN(C)C(=O)C(c1ccccc1)c1ccccc1","CN(C)C(=O)C(c1ccccc1)c2ccccc2",null,"CN(C)C(=O)C(c1ccccc1)c1ccccc1","CN(C)C(=O)C(c1ccccc1)c2ccccc2",null,"CN(C)C(=O)C(c1ccccc1)c1ccccc1","CN(C)C(=O)C(c1ccccc1)c2ccccc2",null,"CN(C)C(=O)C(c1ccccc1)c1ccccc1","CN(C)C(=O)C(c1ccccc1)c2ccccc2"]
[2776,"959-98-8",{"$nulls":3},"O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl",null,"O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl",null,"O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl"]
[2777,"961-11-5","COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl",null,"COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl",null,"COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl",null,"COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl"]
[2778,"961-68-2","O=[N+]([O-])c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)Nc2ccccc2)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)Nc2ccccc2)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)Nc2ccccc2)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)Nc2ccccc2)[N+](=O)[O-]"]
[2779,"963-14-4",{"$nulls":3},"CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1","CCOc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},"CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1","CCOc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N"]
[2780,"963-85-9"]
[2781,"963-86-0"]
[2782,"968-81-0","CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2",null,"CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2",null,"CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2",null,"CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2"]
[2783,"977-79-7","CC(=O)C1(C)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C",null,"CC(=O)C1(C)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C",null,"CC(=O)C1(C)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C",null,"CC(=O)C1(C)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C"]
[2784,"991-42-4","O=C1NC(=O)C2C3C(C(O)(c4ccccc4)c4ccccn4)=CC(C3=C(c3ccccc3)c3ccccn3)C12","O=C1C2C(C(N1)=O)C3C(C2C=C3C(O)(c4ccccc4)c5ncccc5)=C(c6ccccc6)c7ncccc7",null,"O=C1NC(=O)C2C3C(C(O)(c4ccccc4)c4ccccn4)=CC(C3=C(c3ccccc3)c3ccccn3)C12","O=C1C2C(C(N1)=O)C3C(C2C=C3C(O)(c4ccccc4)c5ncccc5)=C(c6ccccc6)c7ncccc7","[Cl-](1), [H+](1)","O=C1NC(=O)C2C3C(C(O)(c4ccccc4)c4ccccn4)=CC(C3=C(c3ccccc3)c3ccccn3)C12","O=C1C2C(C(N1)=O)C3C(C2C=C3C(O)(c4ccccc4)c5ncccc5)=C(c6ccccc6)c7ncccc7",null,"O=C1NC(=O)C2C3C(C(O)(c4ccccc4)c4ccccn4)=CC(C3=C(c3ccccc3)c3ccccn3)C12","O=C1C2C(C(N1)=O)C3C(C2C=C3C(O)(c4ccccc4)c5ncccc5)=C(c6ccccc6)c7ncccc7"]
[2785,"993-13-5","CP(=O)(O)O","CP(=O)(O)O",null,"CP(=O)(O)O","CP(=O)(O)O",null,"CP(=O)(O)O","CP(=O)(O)O",null,"CP(=O)(O)O","CP(=O)(O)O"]
[2786,"996-35-0","CC(C)N(C)C","CC(C)N(C)C",null,"CC(C)N(C)C","CC(C)N(C)C",null,"CC(C)N(C)C","CC(C)N(C)C",null,"CC(C)N(C)C","CC(C)N(C)C"]
[2787,"999-17-7","CCOC(=O)CO[N+](=O)[O-]","CCOC(=O)CO[N+](=O)[O-]",{"$nulls":4},"CCOC(=O)CO[N+](=O)[O-]","CCOC(=O)CO[N+](=O)[O-]",null,"CCOC(=O)CO[N+](=O)[O-]","CCOC(=O)CO[N+](=O)[O-]"]
[2788,"999-30-4","CCOC(=O)CNC(=O)OCC","CCOC(=O)CNC(=O)OCC",null,"CCOC(=O)CNC(=O)OCC","CCOC(=O)CNC(=O)OCC",null,"CCOC(=O)CNC(=O)OCC","CCOC(=O)CNC(=O)OCC"]
[2789,"999-61-1","C=CC(=O)OCC(C)O","C=CC(=O)OCC(C)O",null,"C=CC(=O)OCC(C)O","C=CC(=O)OCC(C)O",null,"C=CC(=O)OCC(C)O","C=CC(=O)OCC(C)O",null,"C=CC(=O)OCC(C)O","C=CC(=O)OCC(C)O"]
[2790,"1000-82-4","NC(=O)NCO","NC(=O)NCO",null,"NC(=O)NCO","NC(=O)NCO",null,"NC(=O)NCO","NC(=O)NCO",null,"NC(=O)NCO","NC(=O)NCO"]
[2791,"1002-16-0","CCCCCO[N+](=O)[O-]","CCCCCO[N+](=O)[O-]",null,"CCCCCO[N+](=O)[O-]","CCCCCO[N+](=O)[O-]",null,"CCCCCO[N+](=O)[O-]","CCCCCO[N+](=O)[O-]",null,"CCCCCO[N+](=O)[O-]","CCCCCO[N+](=O)[O-]"]
[2792,"1003-38-9","CC1CCC(C)O1","CC1OC(CC1)C",null,"CC1CCC(C)O1","CC1OC(CC1)C",null,"CC1CCC(C)O1","CC1OC(CC1)C",null,"CC1CCC(C)O1","CC1OC(CC1)C"]
[2793,"1003-67-4","Cc1cc[n+]([O-])cc1","Cc1cc[n+](cc1)[O-]",null,"Cc1cc[n+]([O-])cc1","Cc1cc[n+](cc1)[O-]",{"$nulls":4},"Cc1cc[n+]([O-])cc1","Cc1cc[n+](cc1)[O-]"]
[2794,"1003-73-2","CC1=CC=C[NH+2]([O-])[CH-]1","CC1=CC=C[NH+2]([O-])[CH-]1",null,"CC1=CC=C[NH+2]([O-])[CH-]1","CC1=CC=C[NH+2]([O-])[CH-]1",{"$nulls":4},"Cc1ccc[n+]([O-])c1","Cc1c[n+](ccc1)[O-]"]
[2795,"1007-28-9",{"$nulls":3},"CCNc1nc(N)nc(Cl)n1","CCNc1nc(nc(n1)N)Cl",null,"CCNc1nc(N)nc(Cl)n1","CCNc1nc(nc(n1)N)Cl",null,"CCNc1nc(N)nc(Cl)n1","CCNc1nc(nc(n1)N)Cl"]
[2796,"1009-89-8","O=C1CCCCCCCCCN1","O=C1NCCCCCCCCC1",null,"O=C1CCCCCCCCCN1","O=C1NCCCCCCCCC1",null,"O=C1CCCCCCCCCN1","O=C1NCCCCCCCCC1",null,"O=C1CCCCCCCCCN1","O=C1NCCCCCCCCC1"]
[2797,"1014-69-3","CNc1nc(NC(C)C)nc(SC)n1","CNc1nc(nc(n1)NC(C)C)SC",null,"CNc1nc(NC(C)C)nc(SC)n1","CNc1nc(nc(n1)NC(C)C)SC",null,"CNc1nc(NC(C)C)nc(SC)n1","CNc1nc(nc(n1)NC(C)C)SC",null,"CNc1nc(NC(C)C)nc(SC)n1","CNc1nc(nc(n1)NC(C)C)SC"]
[2798,"1014-70-6","CCNc1nc(NCC)nc(SC)n1","CCNc1nc(nc(n1)NCC)SC",null,"CCNc1nc(NCC)nc(SC)n1","CCNc1nc(nc(n1)NCC)SC",null,"CCNc1nc(NCC)nc(SC)n1","CCNc1nc(nc(n1)NCC)SC",null,"CCNc1nc(NCC)nc(SC)n1","CCNc1nc(nc(n1)NCC)SC"]
[2799,"1021-65-4",{"$nulls":3},"CCCCn1cnc2c1c(=O)n(C)c(=O)n2C","CCCCn1c2c(nc1)n(c(n(c2=O)C)=O)C",{"$nulls":4},"CCCCn1cnc2c1c(=O)n(C)c(=O)n2C","CCCCn1c2c(nc1)n(c(n(c2=O)C)=O)C"]
[2800,"1022-46-4",{"$nulls":3},"O=c1oc(-c2ccccc2)nc2ccccc12","O=c1c2c(nc(o1)-c3ccccc3)cccc2",{"$nulls":4},"O=c1oc(-c2ccccc2)nc2ccccc12","O=c1c2c(nc(o1)-c3ccccc3)cccc2"]
[2801,"1024-57-3","ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C(O4)C3Cl)Cl",null,"ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C(O4)C3Cl)Cl",null,"ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C(O4)C3Cl)Cl",null,"ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C(O4)C3Cl)Cl"]
[2802,"1031-07-8","O=S1(=O)OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1(OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)=O",null,"O=S1(=O)OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1(OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)=O",null,"O=S1(=O)OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1(OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)=O",null,"O=S1(=O)OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1(OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)=O"]
[2803,"1031-47-6",{"$nulls":3},"CN(C)P(=O)(N(C)C)n1nc(-c2ccccc2)nc1N","CN(C)P(=O)(N(C)C)n1c(nc(n1)-c2ccccc2)N",{"$nulls":4},"CN(C)P(=O)(N(C)C)n1nc(-c2ccccc2)nc1N","CN(C)P(=O)(N(C)C)n1c(nc(n1)-c2ccccc2)N"]
[2804,"1032-44-6","O=C(O)CNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)CNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},"O=C(O)CNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)CNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"O=C(O)CNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)CNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"]
[2805,"1034-01-1","CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1","CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O",null,"CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1","CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O",null,"CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1","CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O",null,"CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1","CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O"]
[2806,"1050-79-9",{"$nulls":3},"Cc1ccc(C2(O)CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)cc1","Cc1ccc(cc1)C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O","[Cl-](1)",{"$nulls":3},"Cc1ccc(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1","Cc1ccc(cc1)C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O","OS(O)(=O)=O(1)"]
[2807,"1066-42-8","C[Si](C)(O)O","C[Si](C)(O)O",null,"C[Si](C)(O)O","C[Si](C)(O)O",null,"C[Si](C)(O)O","C[Si](C)(O)O",null,"C[Si](C)(O)O","C[Si](C)(O)O"]
[2808,"1067-14-7","CC[Pb](Cl)(CC)CC","CC[Pb](Cl)(CC)CC",{"$nulls":7},"CC[Pb](Cl)(CC)CC","CC[Pb](Cl)(CC)CC"]
[2809,"1067-33-0","CCCC[Sn+2]CCCC","CCCC[Sn+2]CCCC","CC([O-])=O(2)",{"$nulls":3},"CCCC[Sn](CCCC)(OC(C)=O)OC(C)=O","CCCC[Sn](CCCC)(OC(C)=O)OC(C)=O",null,"CCCC[Sn](CCCC)(OC(C)=O)OC(C)=O","CCCC[Sn](CCCC)(OC(C)=O)OC(C)=O"]
[2810,"1069-00-7","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",null,"OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO"]
[2811,"1071-83-6","O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O",null,"O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O"]
[2812,"1072-71-5","S=c1[nH][nH]c(=S)s1","S=c1sc([nH][nH]1)=S",null,"S=c1[nH][nH]c(=S)s1","S=c1sc([nH][nH]1)=S",null,"Sc1nnc(S)s1","Sc1sc(nn1)S",null,"Sc1nnc(S)s1","Sc1sc(nn1)S"]
[2813,"1072-85-1","Fc1ccccc1Br","Fc1c(cccc1)Br",null,"Fc1ccccc1Br","Fc1c(cccc1)Br",null,"Fc1ccccc1Br","Fc1c(cccc1)Br",null,"Fc1ccccc1Br","Fc1c(cccc1)Br"]
[2814,"1073-06-9","Fc1cccc(Br)c1","Fc1cc(ccc1)Br",null,"Fc1cccc(Br)c1","Fc1cc(ccc1)Br",null,"Fc1cccc(Br)c1","Fc1cc(ccc1)Br",null,"Fc1cccc(Br)c1","Fc1cc(ccc1)Br"]
[2815,"1076-60-4","Oc1cnn(-c2ccccc2)c1","Oc1cn(nc1)-c2ccccc2",{"$nulls":4},"Oc1cnn(-c2ccccc2)c1","Oc1cn(nc1)-c2ccccc2",null,"Oc1cnn(-c2ccccc2)c1","Oc1cn(nc1)-c2ccccc2"]
[2816,"1077-16-3","CCCCCCc1ccccc1","CCCCCCc1ccccc1",null,"CCCCCCc1ccccc1","CCCCCCc1ccccc1",null,"CCCCCCc1ccccc1","CCCCCCc1ccccc1",null,"CCCCCCc1ccccc1","CCCCCCc1ccccc1"]
[2817,"1078-71-3","CCCCCCCc1ccccc1","CCCCCCCc1ccccc1",null,"CCCCCCCc1ccccc1","CCCCCCCc1ccccc1",null,"CCCCCCCc1ccccc1","CCCCCCCc1ccccc1",null,"CCCCCCCc1ccccc1","CCCCCCCc1ccccc1"]
[2818,"1079-02-3",{"$nulls":3},"[2H]c1c([2H])c([2H])c(C(=O)O)c([2H])c1[2H]","[2H]c1c(c(c(c(c1[2H])[2H])C(=O)O)[2H])[2H]"]
[2819,"1080-44-0","Cc1ccc(S(=O)(=O)NCC(=O)O)cc1","Cc1ccc(cc1)S(=O)(=O)NCC(=O)O",null,"Cc1ccc(S(=O)(=O)NCC(=O)O)cc1","Cc1ccc(cc1)S(=O)(=O)NCC(=O)O",null,"Cc1ccc(S(=O)(=O)NCC(=O)O)cc1","Cc1ccc(cc1)S(=O)(=O)NCC(=O)O",null,"Cc1ccc(S(=O)(=O)NCC(=O)O)cc1","Cc1ccc(cc1)S(=O)(=O)NCC(=O)O"]
[2820,"1083-27-8","CCCCCCOC(=O)c1ccc(O)cc1","CCCCCCOC(=O)c1ccc(cc1)O",null,"CCCCCCOC(=O)c1ccc(O)cc1","CCCCCCOC(=O)c1ccc(cc1)O",null,"CCCCCCOC(=O)c1ccc(O)cc1","CCCCCCOC(=O)c1ccc(cc1)O",null,"CCCCCCOC(=O)c1ccc(O)cc1","CCCCCCOC(=O)c1ccc(cc1)O"]
[2821,"1085-12-7","CCCCCCCOC(=O)c1ccc(O)cc1","CCCCCCCOC(=O)c1ccc(cc1)O",null,"CCCCCCCOC(=O)c1ccc(O)cc1","CCCCCCCOC(=O)c1ccc(cc1)O",null,"CCCCCCCOC(=O)c1ccc(O)cc1","CCCCCCCOC(=O)c1ccc(cc1)O",null,"CCCCCCCOC(=O)c1ccc(O)cc1","CCCCCCCOC(=O)c1ccc(cc1)O"]
[2822,"1085-98-9","CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1","CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1",null,"CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1","CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1",null,"CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1","CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1",null,"CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1","CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1"]
[2823,"1107-99-9","CC(C)(C)C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C","CC(C)(C)C(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O",null,"CC(C)(C)C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C","CC(C)(C)C(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O",null,"CC(C)(C)C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C","CC(C)(C)C(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O",null,"CC(C)(C)C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C","CC(C)(C)C(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O"]
[2824,"1113-02-6","CNC(=O)CSP(=O)(OC)OC","CNC(=O)CSP(=O)(OC)OC",null,"CNC(=O)CSP(=O)(OC)OC","CNC(=O)CSP(=O)(OC)OC",null,"CNC(=O)CSP(=O)(OC)OC","CNC(=O)CSP(=O)(OC)OC",null,"CNC(=O)CSP(=O)(OC)OC","CNC(=O)CSP(=O)(OC)OC"]
[2825,"1114-71-2","CCCCN(CC)C(=O)SCCC","CCCCN(CC)C(=O)SCCC",null,"CCCCN(CC)C(=O)SCCC","CCCCN(CC)C(=O)SCCC",null,"CCCCN(CC)C(=O)SCCC","CCCCN(CC)C(=O)SCCC",null,"CCCCN(CC)C(=O)SCCC","CCCCN(CC)C(=O)SCCC"]
[2826,"1115-47-5","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",null,"CSCCC(NC(C)=O)C(=O)[O-]","CSCCC(NC(C)=O)C(=O)O",null,"CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",null,"CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O"]
[2827,"1115-51-1"]
[2828,"1115-61-3","CC(CC(N)=O)C(N)=O","CC(CC(N)=O)C(N)=O"]
[2829,"1115-90-8",{"$nulls":3},"CCCCCC(N)C(=O)O","CCCCCC(N)C(=O)O"]
[2830,"1116-54-7","O=NN(CCO)CCO","O=NN(CCO)CCO",null,"O=NN(CCO)CCO","O=NN(CCO)CCO",null,"O=NN(CCO)CCO","O=NN(CCO)CCO",null,"O=NN(CCO)CCO","O=NN(CCO)CCO"]
[2831,"1116-76-3",{"$nulls":3},"CCCCCCCCN(CCCCCCCC)CCCCCCCC","CCCCCCCCN(CCCCCCCC)CCCCCCCC",null,"CCCCCCCCN(CCCCCCCC)CCCCCCCC","CCCCCCCCN(CCCCCCCC)CCCCCCCC",null,"CCCCCCCCN(CCCCCCCC)CCCCCCCC","CCCCCCCCN(CCCCCCCC)CCCCCCCC"]
[2832,"1118-12-3","CC(C)(C)NC(N)=O","CC(C)(C)NC(N)=O",null,"CC(C)(C)NC(N)=O","CC(C)(C)NC(N)=O",null,"CC(C)(C)NC(N)=O","CC(C)(C)NC(N)=O",null,"CC(C)(C)NC(N)=O","CC(C)(C)NC(N)=O"]
[2833,"1118-15-6","C[Si](C)(O)O[Si](C)(C)O","C[Si](C)(O)O[Si](C)(C)O",null,"C[Si](C)(O)O[Si](C)(C)O","C[Si](C)(O)O[Si](C)(C)O",null,"C[Si](C)(O)O[Si](C)(C)O","C[Si](C)(O)O[Si](C)(C)O",null,"C[Si](C)(O)O[Si](C)(C)O","C[Si](C)(O)O[Si](C)(C)O"]
[2834,"1119-40-0","COC(=O)CCCC(=O)OC","COC(=O)CCCC(=O)OC",null,"COC(=O)CCCC(=O)OC","COC(=O)CCCC(=O)OC",null,"COC(=O)CCCC(=O)OC","COC(=O)CCCC(=O)OC",null,"COC(=O)CCCC(=O)OC","COC(=O)CCCC(=O)OC"]
[2835,"1119-62-6","O=C(O)CCSSCCC(=O)O","O=C(O)CCSSCCC(=O)O",null,"O=C(O)CCSSCCC(=O)O","O=C(O)CCSSCCC(=O)O",{"$nulls":4},"O=C(O)CCSSCCC(=O)O","O=C(O)CCSSCCC(=O)O"]
[2836,"1119-65-9","CC#CCCCC","CC#CCCCC",null,"CC#CCCCC","CC#CCCCC",null,"CC#CCCCC","CC#CCCCC",null,"CC#CCCCC","CC#CCCCC"]
[2837,"1120-21-4","CCCCCCCCCCC","CCCCCCCCCCC",null,"CCCCCCCCCCC","CCCCCCCCCCC",null,"CCCCCCCCCCC","CCCCCCCCCCC",null,"CCCCCCCCCCC","CCCCCCCCCCC"]
[2838,"1122-39-0","Cc1cc(C)c(C)cn1","Cc1ncc(c(c1)C)C",null,"Cc1cc(C)c(C)cn1","Cc1ncc(c(c1)C)C",null,"Cc1cc(C)c(C)cn1","Cc1ncc(c(c1)C)C",null,"Cc1cc(C)c(C)cn1","Cc1ncc(c(c1)C)C"]
[2839,"1122-58-3","CN(C)c1ccncc1","CN(C)c1ccncc1",null,"CN(C)c1cc[nH+]cc1","CN(C)c1ccncc1",{"$nulls":4},"CN(C)c1ccncc1","CN(C)c1ccncc1"]
[2840,"1122-69-6","CCc1cccc(C)n1","CCc1nc(ccc1)C",null,"CCc1cccc(C)n1","CCc1nc(ccc1)C",null,"CCc1cccc(C)n1","CCc1nc(ccc1)C",null,"CCc1cccc(C)n1","CCc1nc(ccc1)C"]
[2841,"1123-28-0","O=C(O)C1(O)CCCCC1","O=C(O)C1(CCCCC1)O",null,"O=C(O)C1(O)CCCCC1","O=C(O)C1(CCCCC1)O",{"$nulls":4},"O=C(O)C1(O)CCCCC1","O=C(O)C1(CCCCC1)O"]
[2842,"1123-63-3","Cc1cc(Cl)cc(C)c1O","Cc1c(c(cc(c1)Cl)C)O",null,"Cc1cc(Cl)cc(C)c1O","Cc1c(c(cc(c1)Cl)C)O",null,"Cc1cc(Cl)cc(C)c1O","Cc1c(c(cc(c1)Cl)C)O",null,"Cc1cc(Cl)cc(C)c1O","Cc1c(c(cc(c1)Cl)C)O"]
[2843,"1125-78-6","Oc1ccc2c(c1)CCCC2","Oc1cc2c(cc1)CCCC2",null,"Oc1ccc2c(c1)CCCC2","Oc1cc2c(cc1)CCCC2"]
[2844,"1125-82-2","Clc1cnc2ncncc2n1","Clc1nc2c(nc1)ncnc2",{"$nulls":4},"Clc1cnc2ncncc2n1","Clc1nc2c(nc1)ncnc2",null,"Clc1cnc2ncncc2n1","Clc1nc2c(nc1)ncnc2"]
[2845,"1125-84-4","Clc1cnc2cncnc2n1","Clc1nc2c(nc1)cncn2",{"$nulls":4},"Clc1cnc2cncnc2n1","Clc1nc2c(nc1)cncn2",null,"Clc1cnc2cncnc2n1","Clc1nc2c(nc1)cncn2"]
[2846,"1126-61-0","C=CCc1ccc(O)c(O)c1","C=CCc1cc(c(cc1)O)O",null,"C=CCc1ccc(O)c(O)c1","C=CCc1cc(c(cc1)O)O",{"$nulls":4},"C=CCc1ccc(O)c(O)c1","C=CCc1cc(c(cc1)O)O"]
[2847,"1127-76-0","CCc1cccc2ccccc12","CCc1c2c(ccc1)cccc2",null,"CCc1cccc2ccccc12","CCc1c2c(ccc1)cccc2",null,"CCc1cccc2ccccc12","CCc1c2c(ccc1)cccc2",null,"CCc1cccc2ccccc12","CCc1c2c(ccc1)cccc2"]
[2848,"1129-41-5","Cc1cccc(N(C)C(=O)[O-])c1","Cc1cc(ccc1)N(C)C(=O)O",null,"CNC(=O)Oc1cccc(C)c1","CNC(=O)Oc1cc(ccc1)C",{"$nulls":4},"CN=C(O)Oc1cccc(C)c1","CN=C(O)Oc1cc(ccc1)C"]
[2849,"1131-18-6","Cc1cc(N)n(-c2ccccc2)n1","Cc1nn(c(c1)N)-c2ccccc2",null,"Cc1cc(N)n(-c2ccccc2)n1","Cc1nn(c(c1)N)-c2ccccc2",null,"Cc1cc(N)n(-c2ccccc2)n1","Cc1nn(c(c1)N)-c2ccccc2",null,"Cc1cc(N)n(-c2ccccc2)n1","Cc1nn(c(c1)N)-c2ccccc2"]
[2850,"1131-60-8","Oc1ccc(C2CCCCC2)cc1","Oc1ccc(cc1)C2CCCCC2",null,"Oc1ccc(C2CCCCC2)cc1","Oc1ccc(cc1)C2CCCCC2",null,"Oc1ccc(C2CCCCC2)cc1","Oc1ccc(cc1)C2CCCCC2",null,"Oc1ccc(C2CCCCC2)cc1","Oc1ccc(cc1)C2CCCCC2"]
[2851,"1134-23-2","CCSC(=O)N(CC)C1CCCCC1","CCSC(=O)N(CC)C1CCCCC1",null,"CCSC(=O)N(CC)C1CCCCC1","CCSC(=O)N(CC)C1CCCCC1",null,"CCSC(=O)N(CC)C1CCCCC1","CCSC(=O)N(CC)C1CCCCC1"]
[2852,"1135-99-5","Cl[Sn](Cl)(c1ccccc1)c1ccccc1","Cl[Sn](Cl)(c1ccccc1)c2ccccc2",{"$nulls":4},"Cl[Sn](Cl)(c1ccccc1)c1ccccc1","Cl[Sn](Cl)(c1ccccc1)c2ccccc2",null,"Cl[Sn](Cl)(c1ccccc1)c1ccccc1","Cl[Sn](Cl)(c1ccccc1)c2ccccc2"]
[2853,"1143-30-2","CCCCn1c(=O)c2c(ncn2C)n(C)c1=O","CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",null,"CCCCn1c(=O)c2c(ncn2C)n(C)c1=O","CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",{"$nulls":4},"CCCCn1c(=O)c2c(ncn2C)n(C)c1=O","CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O"]
[2854,"1156-19-0","Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1","Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2",null,"Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1","Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2",null,"Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1","Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2",null,"Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1","Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2"]
[2855,"1161-88-2","NC(=S)NS(=O)(=O)c1ccc(N)cc1","NC(=S)NS(=O)(=O)c1ccc(cc1)N","NCc1ccc(cc1)S(N)(=O)=O(1)","NC(=S)NS(=O)(=O)c1ccc(N)cc1","NC(=S)NS(=O)(=O)c1ccc(cc1)N","NCc1ccc(cc1)S(N)(=O)=O(1)","NC(=S)NS(=O)(=O)c1ccc(N)cc1","NC(=S)NS(=O)(=O)c1ccc(cc1)N","NCc1ccc(cc1)S(N)(=O)=O(1)","NC(=S)NS(=O)(=O)c1ccc(N)cc1","NC(=S)NS(=O)(=O)c1ccc(cc1)N","NCc1ccc(cc1)S(N)(=O)=O(1)",null,"Organic counterion"]
[2856,"1177-87-3","CC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O",null,"CC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O",null,"CC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O",null,"CC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O"]
[2857,"1182-87-2","COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1O","COC1C(C(OC(C1O)C)OC2CC3C(CC2)(C4C(CC3)C5(C(CC4)(C)C(C=6COC(C6)=O)CC5)O)C=O)O",null,"COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1O","COC1C(C(OC(C1O)C)OC2CC3C(CC2)(C4C(CC3)C5(C(CC4)(C)C(C=6COC(C6)=O)CC5)O)C=O)O",null,"COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1O","COC1C(C(OC(C1O)C)OC2CC3C(CC2)(C4C(CC3)C5(C(CC4)(C)C(C=6COC(C6)=O)CC5)O)C=O)O",null,"COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1O","COC1C(C(OC(C1O)C)OC2CC3C(CC2)(C4C(CC3)C5(C(CC4)(C)C(C=6COC(C6)=O)CC5)O)C=O)O"]
[2858,"1185-33-7","CCC(C)(C)CO","CCC(C)(C)CO",null,"CCC(C)(C)CO","CCC(C)(C)CO",null,"CCC(C)(C)CO","CCC(C)(C)CO",null,"CCC(C)(C)CO","CCC(C)(C)CO"]
[2859,"1186-78-3","CCC(C(=O)O)C(C)C(=O)O","CCC(C(=O)O)C(C)C(=O)O",{"$nulls":4},"CCC(C(=O)O)C(C)C(=O)O","CCC(C(=O)O)C(C)C(=O)O",null,"CCC(C(=O)O)C(C)C(=O)O","CCC(C(=O)O)C(C)C(=O)O"]
[2860,"1186-79-4","CCC(C(=O)O)C(CC)C(=O)O","CCC(C(=O)O)C(CC)C(=O)O"]
[2861,"1186-90-9","NC(C(=O)O)C(O)C(=O)O","NC(C(=O)O)C(O)C(=O)O",null,"NC(C(=O)O)C(O)C(=O)O","NC(C(=O)O)C(O)C(=O)O",null,"NC(C(=O)O)C(O)C(=O)O","NC(C(=O)O)C(O)C(=O)O",null,"NC(C(=O)O)C(O)C(=O)O","NC(C(=O)O)C(O)C(=O)O"]
[2862,"1187-03-7","CCN(CC)C(=O)N(CC)CC","CCN(CC)C(=O)N(CC)CC",null,"CCN(CC)C(=O)N(CC)CC","CCN(CC)C(=O)N(CC)CC",null,"CCN(CC)C(=O)N(CC)CC","CCN(CC)C(=O)N(CC)CC",null,"CCN(CC)C(=O)N(CC)CC","CCN(CC)C(=O)N(CC)CC"]
[2863,"1187-50-4","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O",null,"CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O"]
[2864,"1188-21-2","CC(=O)NC(CC(C)C)C(=O)O","CC(=O)NC(CC(C)C)C(=O)O",null,"CC(=O)NC(CC(C)C)C(=O)O","CC(=O)NC(CC(C)C)C(=O)O",null,"CC(=O)NC(CC(C)C)C(=O)O","CC(=O)NC(CC(C)C)C(=O)O",null,"CC(=O)NC(CC(C)C)C(=O)O","CC(=O)NC(CC(C)C)C(=O)O"]
[2865,"1193-11-9","CC1COC(C)(C)O1","CC1OC(OC1)(C)C",null,"CC1COC(C)(C)O1","CC1OC(OC1)(C)C"]
[2866,"1193-24-4",{"$nulls":3},"O=c1cc(O)nc[nH]1","O=c1[nH]cnc(c1)O",null,"Oc1cc(O)ncn1","Oc1ncnc(c1)O",null,"Oc1cc(O)ncn1","Oc1ncnc(c1)O"]
[2867,"1194-65-6","N#Cc1c(Cl)cccc1Cl","N#Cc1c(cccc1Cl)Cl",null,"N#Cc1c(Cl)cccc1Cl","N#Cc1c(cccc1Cl)Cl",null,"N#Cc1c(Cl)cccc1Cl","N#Cc1c(cccc1Cl)Cl",null,"N#Cc1c(Cl)cccc1Cl","N#Cc1c(cccc1Cl)Cl"]
[2868,"1194-98-5","O=Cc1cc(O)ccc1O","O=Cc1c(ccc(c1)O)O",null,"O=Cc1cc(O)ccc1O","O=Cc1c(ccc(c1)O)O",null,"O=Cc1cc(O)ccc1O","O=Cc1c(ccc(c1)O)O",null,"O=Cc1cc(O)ccc1O","O=Cc1c(ccc(c1)O)O"]
[2869,"1197-18-8","NCC1CCC(C(=O)O)CC1","NCC1CCC(CC1)C(=O)O",null,"NCC1CCC(C(=O)O)CC1","NCC1CCC(CC1)C(=O)O",null,"NCC1CCC(C(=O)O)CC1","NCC1CCC(CC1)C(=O)O",null,"NCC1CCC(C(=O)O)CC1","NCC1CCC(CC1)C(=O)O"]
[2870,"1198-37-4","Cc1cc(C)c2ccccc2n1","Cc1nc2c(c(c1)C)cccc2",null,"Cc1cc(C)c2ccccc2n1","Cc1nc2c(c(c1)C)cccc2",null,"Cc1cc(C)c2ccccc2n1","Cc1nc2c(c(c1)C)cccc2",null,"Cc1cc(C)c2ccccc2n1","Cc1nc2c(c(c1)C)cccc2"]
[2871,"1198-55-6","Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl","Oc1c(c(c(c(c1O)Cl)Cl)Cl)Cl",null,"Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl","Oc1c(c(c(c(c1O)Cl)Cl)Cl)Cl",null,"Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl","Oc1c(c(c(c(c1O)Cl)Cl)Cl)Cl",null,"Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl","Oc1c(c(c(c(c1O)Cl)Cl)Cl)Cl"]
[2872,"1199-99-1",{"$nulls":3},"CN(C)CCCc1ccccc1","CN(C)CCCc1ccccc1",{"$nulls":4},"CN(C)CCCc1ccccc1","CN(C)CCCc1ccccc1"]
[2873,"1205-02-3","CC(NC(=O)c1ccccc1)C(=O)O","CC(NC(=O)c1ccccc1)C(=O)O",null,"CC(NC(=O)c1ccccc1)C(=O)O","CC(NC(=O)c1ccccc1)C(=O)O"]
[2874,"1205-08-9",{"$nulls":3},"COC(=O)CNC(=O)c1ccccc1","COC(=O)CNC(=O)c1ccccc1",{"$nulls":4},"COC(=O)CNC(=O)c1ccccc1","COC(=O)CNC(=O)c1ccccc1"]
[2875,"1207-72-3","CN1c2ccccc2Sc2ccccc21","CN1c2c(Sc3c1cccc3)cccc2",null,"CN1c2ccccc2Sc2ccccc21","CN1c2c(Sc3c1cccc3)cccc2",null,"CN1c2ccccc2Sc2ccccc21","CN1c2c(Sc3c1cccc3)cccc2",null,"CN1c2ccccc2Sc2ccccc21","CN1c2c(Sc3c1cccc3)cccc2"]
[2876,"1214-39-7","c1ccc(CNc2[nH]cnc3ncnc2-3)cc1","c1ccc(cc1)CNc2c3-c(nc[nH]2)ncn3",null,"c1ccc(CNc2ncnc3nc[nH]c23)cc1","c1ccc(cc1)CNc2c3c(ncn2)nc[nH]3",null,"c1ccc(CNc2[nH]cnc3ncnc2-3)cc1","c1ccc(cc1)CNc2c3-c(nc[nH]2)ncn3",null,"c1ccc(CNc2[nH]cnc3ncnc2-3)cc1","c1ccc(cc1)CNc2c3-c(nc[nH]2)ncn3"]
[2877,"1219-38-1",{"$nulls":3},"CCCCCCCCOC(=O)c1ccc(O)cc1","CCCCCCCCOC(=O)c1ccc(cc1)O",{"$nulls":4},"CCCCCCCCOC(=O)c1ccc(O)cc1","CCCCCCCCOC(=O)c1ccc(cc1)O"]
[2878,"1222-05-5","CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C","CC1c2c(COC1)cc3C(C(C(c3c2)(C)C)C)(C)C",null,"CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C","CC1c2c(COC1)cc3C(C(C(c3c2)(C)C)C)(C)C",null,"CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C","CC1c2c(COC1)cc3C(C(C(c3c2)(C)C)C)(C)C",null,"CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C","CC1c2c(COC1)cc3C(C(C(c3c2)(C)C)C)(C)C"]
[2879,"1239-45-8","CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21","CC[n+]1c2c(c3c(c1-c4ccccc4)cc(N)cc3)ccc(N)c2","[Br-](1)","CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21","CC[n+]1c2c(c3c(c1-c4ccccc4)cc(N)cc3)ccc(N)c2","[Br-](1)","CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21","CC[n+]1c2c(c3c(c1-c4ccccc4)cc(N)cc3)ccc(N)c2","[Br-](1)","CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21","CC[n+]1c2c(c3c(c1-c4ccccc4)cc(N)cc3)ccc(N)c2","[Br-](1)"]
[2880,"1241-94-7","CCCCC(CC)COP(=O)(Oc1ccccc1)Oc1ccccc1","CCCCC(CC)COP(=O)(Oc1ccccc1)Oc2ccccc2",null,"CCCCC(CC)COP(=O)(Oc1ccccc1)Oc1ccccc1","CCCCC(CC)COP(=O)(Oc1ccccc1)Oc2ccccc2",null,"CCCCC(CC)COP(=O)(Oc1ccccc1)Oc1ccccc1","CCCCC(CC)COP(=O)(Oc1ccccc1)Oc2ccccc2",null,"CCCCC(CC)COP(=O)(Oc1ccccc1)Oc1ccccc1","CCCCC(CC)COP(=O)(Oc1ccccc1)Oc2ccccc2"]
[2881,"1251-85-0","O=c1[nH][nH]cc1Cc1c[nH][nH]c1=O","O=c1c(c[nH][nH]1)Cc2c([nH][nH]c2)=O",null,"Cc1c(Cc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1Cc2c(n(n(c2C)C)-c3ccccc3)=O)=O)-c4ccccc4)C",{"$nulls":4},"Cc1c(Cc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1Cc2c(n(n(c2C)C)-c3ccccc3)=O)=O)-c4ccccc4)C"]
[2882,"1260-17-9","Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O",null,"Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O",null,"Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O",null,"Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O"]
[2883,"1300-21-6"]
[2884,"1300-73-8","Cc1cccc(N)c1C","Cc1c(c(ccc1)N)C",null,"Cc1cccc(N)c1C","Cc1c(c(ccc1)N)C",null,"*C","*C","C*(1), Nc1ccccc1(1)","*C","*C","C*(1), Nc1ccccc1(1)"]
[2885,"1321-04-6","O=C(O)c1cccc(I)c1OI","O=C(O)c1c(c(ccc1)I)OI",null,"O=C(O)c1cc(I)cc(I)c1O","O=C(O)c1c(c(cc(c1)I)I)O"]
[2886,"1321-16-0","O=CC1C=CCCC1","O=CC1CCCC=C1",null,"O=CC1CC=CCC1","O=CC1CCC=CC1"]
[2887,"1321-65-9"]
[2888,"1321-94-4",{"$nulls":3},"Cc1cccc2ccccc12","Cc1c2c(ccc1)cccc2",{"$nulls":4},"*C","*C","c1cc2c(cc1)cccc2(1)"]
[2889,"1330-20-7",{"$nulls":3},"Cc1cccc(C)c1","Cc1cc(ccc1)C"]
[2890,"1330-78-5","Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1","Cc1ccc(cc1)OP(=O)(Oc2ccc(cc2)C)Oc3ccc(cc3)C",null,"Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1","Cc1ccc(cc1)OP(=O)(Oc2ccc(cc2)C)Oc3ccc(cc3)C"]
[2891,"1331-22-2","CC1CCCCC1=O","CC1C(CCCC1)=O",null,"CC1CCC(=O)CC1","CC1CCC(CC1)=O"]
[2892,"1333-17-1","CCCCCC(C)C(C)(C)C#CC(C)(O)O","CCCCCC(C)C(C)(C)C#CC(C)(O)O",null,"CC(C)C(C)C(C)C(O)C#CC(C)C(C)O","CC(C)C(C)C(C)C(O)C#CC(C)C(C)O",null,"CC(C)CC(C)(O)C#CC(C)(O)CC(C)C","CC(C)CC(C)(O)C#CC(C)(O)CC(C)C"]
[2893,"1333-38-6","CC1C=CC(=O)O1","CC1OC(C=C1)=O",null,"CC1C=CC(=O)O1","CC1OC(C=C1)=O"]
[2894,"1335-08-6","COc1ccc(C(=O)O)cc1","COc1ccc(cc1)C(=O)O",null,"COc1ccc(C(=O)O)cc1","COc1ccc(cc1)C(=O)O",null,"COc1ccc(C(=O)O)cc1","COc1ccc(cc1)C(=O)O"]
[2895,"1336-36-3","O=S(=O)(Oc1ccc(Cl)cc1)c1ccccc1","O=S(=O)(Oc1ccc(cc1)Cl)c2ccccc2","PCBS(1)","Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2cc(c(c(c2)Cl)Cl)Cl)Cl)Cl","PCBS(1)","*c1c(*)c(*)c(-c2c(*)c(*)c(*)c(*)c2*)c(*)c1*","*c1c(*)c(*)c(-c2c(*)c(*)c(*)c(*)c2*)c(*)c1*","PCBS(1)","*c1c(*)c(*)c(-c2c(*)c(*)c(*)c(*)c2*)c(*)c1*","*c1c(*)c(*)c(-c2c(*)c(*)c(*)c(*)c2*)c(*)c1*","PCBS(1)",null,"Organic counterion"]
[2896,"1390-65-4","Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O",null,"Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O"]
[2897,"1400-61-9","CC1C=CC=CCCC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O","CC1C(C(C(OC(CC(CC(CC(CCC(C(CC(CC(C(C(CC(C=CC=CC=CC=CCCC=CC=C1)OC2C(C(C(C(O2)C)O)N)O)O)C(=O)O)O)=O)O)O)O)O)O)=O)C)C)O",null,"CC1C=CC=CCCC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O","CC1C(C(C(OC(CC(CC(CC(CCC(C(CC2(OC(CC(C=CC=CC=CC=CCCC=CC=C1)OC3C(C(C(C(O3)C)O)N)O)C(C(C2)O)C(=O)O)O)O)O)O)O)O)=O)C)C)O"]
[2898,"1415-73-2","O=C1c2c(O)cccc2C(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21","O=C1c2c(C(c3c1c(O)ccc3)C4C(C(C(C(O4)CO)O)O)O)cc(CO)cc2O",null,"O=C1c2c(O)cccc2C(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21","O=C1c2c(C(c3c1c(O)ccc3)C4C(C(C(C(O4)CO)O)O)O)cc(CO)cc2O",{"$nulls":4},"O=C1c2c(O)cccc2C(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21","O=C1c2c(C(c3c1c(O)ccc3)C4C(C(C(C(O4)CO)O)O)O)cc(CO)cc2O"]
[2899,"1420-04-8","O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O","NCCO(1)","O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O","NCCO(1)","O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O","NCCO(1)","O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O","NCCO(1)",null,"Organic counterion"]
[2900,"1420-06-0","c1ccc(C(c2ccccc2)(c2ccccc2)N2CCOCC2)cc1","c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCOCC4",null,"c1ccc(C(c2ccccc2)(c2ccccc2)N2CCOCC2)cc1","c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCOCC4",null,"c1ccc(C(c2ccccc2)(c2ccccc2)N2CCOCC2)cc1","c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCOCC4",null,"c1ccc(C(c2ccccc2)(c2ccccc2)N2CCOCC2)cc1","c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCOCC4"]
[2901,"1420-07-1","CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","CC(C)(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",null,"CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","CC(C)(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",null,"CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","CC(C)(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",null,"CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","CC(C)(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O"]
[2902,"1435-60-5","O=[N+]([O-])c1ccc(N=Nc2ccc(O)cc2)cc1","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)O",null,"O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)C=C1","O=C1C=CC(C=C1)=NNc2ccc(cc2)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(N=Nc2ccc(O)cc2)cc1","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)O",null,"O=[N+]([O-])c1ccc(N=Nc2ccc(O)cc2)cc1","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)O"]
[2903,"1445-75-6",null,null,"CC(C)OP(C)(=O)OC(C)C(1)",null,null,"CC(C)OP(C)(=O)OC(C)C(1)",null,null,"CC(C)OP(C)(=O)OC(C)C(1)",null,null,"CC(C)OP(C)(=O)OC(C)C(1)",null,"Organic counterion"]
[2904,"1452-77-3","NC(=O)c1ccccn1","NC(=O)c1ncccc1",null,"NC(=O)c1ccccn1","NC(=O)c1ncccc1",null,"NC(=O)c1ccccn1","NC(=O)c1ncccc1",null,"NC(=O)c1ccccn1","NC(=O)c1ncccc1"]
[2905,"1454-85-9","CCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCO",null,"CCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCO",null,"CCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCO",null,"CCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCO"]
[2906,"1456-28-6","CC1CN(N=O)CC(C)O1","CC1OC(CN(C1)N=O)C",null,"CC1CN(N=O)CC(C)O1","CC1OC(CN(C1)N=O)C",null,"CC1CN(N=O)CC(C)O1","CC1OC(CN(C1)N=O)C",null,"CC1CN(N=O)CC(C)O1","CC1OC(CN(C1)N=O)C"]
[2907,"1459-93-4","COC(=O)c1cccc(C(=O)OC)c1","COC(=O)c1cc(ccc1)C(=O)OC",null,"COC(=O)c1cccc(C(=O)OC)c1","COC(=O)c1cc(ccc1)C(=O)OC",null,"COC(=O)c1cccc(C(=O)OC)c1","COC(=O)c1cc(ccc1)C(=O)OC",null,"COC(=O)c1cccc(C(=O)OC)c1","COC(=O)c1cc(ccc1)C(=O)OC"]
[2908,"1461-22-9","CCCC[Sn](Cl)(CCCC)CCCC","CCCC[Sn](Cl)(CCCC)CCCC",{"$nulls":4},"CCCC[Sn](Cl)(CCCC)CCCC","CCCC[Sn](Cl)(CCCC)CCCC",null,"CCCC[Sn](Cl)(CCCC)CCCC","CCCC[Sn](Cl)(CCCC)CCCC"]
[2909,"1462-84-6","Cc1ccc(C)c(C)n1","Cc1nc(c(cc1)C)C",null,"Cc1ccc(C)c(C)n1","Cc1nc(c(cc1)C)C",null,"Cc1ccc(C)c(C)n1","Cc1nc(c(cc1)C)C",null,"Cc1ccc(C)c(C)n1","Cc1nc(c(cc1)C)C"]
[2910,"1464-44-4","OCC1OC(Oc2ccccc2)C(O)C(O)C1O","OCC1C(C(C(C(O1)Oc2ccccc2)O)O)O",null,"OCC1OC(Oc2ccccc2)C(O)C(O)C1O","OCC1C(C(C(C(O1)Oc2ccccc2)O)O)O",null,"OCC1OC(Oc2ccccc2)C(O)C(O)C1O","OCC1C(C(C(C(O1)Oc2ccccc2)O)O)O",null,"OCC1OC(Oc2ccccc2)C(O)C(O)C1O","OCC1C(C(C(C(O1)Oc2ccccc2)O)O)O"]
[2911,"1464-53-5","CCC12OC1O2","CCC12C(O1)O2",null,"C1OC1C1CO1","C1C(O1)C2OC2",null,"C1OC1C1CO1","C1C(O1)C2OC2",null,"C1OC1C1CO1","C1C(O1)C2OC2"]
[2912,"1470-94-6","Oc1ccc2c(c1)CCC2","Oc1cc2c(cc1)CCC2",null,"Oc1ccc2c(c1)CCC2","Oc1cc2c(cc1)CCC2",null,"Oc1ccc2c(c1)CCC2","Oc1cc2c(cc1)CCC2",null,"Oc1ccc2c(c1)CCC2","Oc1cc2c(cc1)CCC2"]
[2913,"1476-11-5",{"$nulls":3},"ClCC=CCCl","ClCC=CCCl",null,"ClCC=CCCl","ClCC=CCCl",null,"ClCC=CCCl","ClCC=CCCl"]
[2914,"1484-80-6",{"$nulls":3},"CCC1CCCCN1","CCC1NCCCC1",{"$nulls":4},"CCC1CCCCN1","CCC1NCCCC1"]
[2915,"1490-04-6","CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O",null,"CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O",null,"CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O",null,"CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O"]
[2916,"1502-22-3","O=C1CCCCC1C1=CCCCC1","O=C1C(CCCC1)C=2CCCCC2",null,"O=C1CCCCC1C1=CCCCC1","O=C1C(CCCC1)C=2CCCCC2",null,"O=C1CCCCC1C1=CCCCC1","O=C1C(CCCC1)C=2CCCCC2",null,"O=C1CCCCC1C1=CCCCC1","O=C1C(CCCC1)C=2CCCCC2"]
[2917,"1503-53-3","CC(=O)Oc1cc(Br)ccc1C(=O)O","CC(=O)Oc1c(ccc(c1)Br)C(=O)O",null,"CC(=O)Oc1ccc(Br)cc1C(=O)O","CC(=O)Oc1c(cc(cc1)Br)C(=O)O",{"$nulls":4},"CC(=O)Oc1ccc(Br)cc1C(=O)O","CC(=O)Oc1c(cc(cc1)Br)C(=O)O"]
[2918,"1509-92-8","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",null,"CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O"]
[2919,"1517-69-7","CC(O)c1ccccc1","CC(O)c1ccccc1",null,"CC(O)c1ccccc1","CC(O)c1ccccc1",null,"CC(O)c1ccccc1","CC(O)c1ccccc1",null,"CC(O)c1ccccc1","CC(O)c1ccccc1"]
[2920,"1520-78-1","C[Pb](C)(C)Cl","C[Pb](C)(C)Cl",{"$nulls":4},"C[Pb+](C)C","C[Pb+](C)C","[Cl-](1)","C[Pb+](C)C","C[Pb+](C)C","[Cl-](1)"]
[2921,"1522-00-5","CCN(CC)C(=O)CCC(=O)O","CCN(CC)C(=O)CCC(=O)O",null,"CCN(CC)C(=O)CCC(=O)O","CCN(CC)C(=O)CCC(=O)O",{"$nulls":4},"CCN(CC)C(=O)CCC(=O)O","CCN(CC)C(=O)CCC(=O)O"]
[2922,"1563-66-2","CNC(=O)Oc1cccc2c1OC(C)(C)C2","CNC(=O)Oc1c2c(ccc1)CC(O2)(C)C",null,"CNC(=O)Oc1cccc2c1OC(C)(C)C2","CNC(=O)Oc1c2c(ccc1)CC(O2)(C)C",null,"CNC(=O)Oc1cccc2c1OC(C)(C)C2","CNC(=O)Oc1c2c(ccc1)CC(O2)(C)C",null,"CNC(=O)Oc1cccc2c1OC(C)(C)C2","CNC(=O)Oc1c2c(ccc1)CC(O2)(C)C"]
[2923,"1565-94-2",{"$nulls":3},"C=C(C)C(=O)OCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COC(=O)C(=C)C)cc2)cc1","C=C(C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(cc2)OCC(O)COC(=O)C(=C)C",{"$nulls":4},"C=C(C)C(=O)OCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COC(=O)C(=C)C)cc2)cc1","C=C(C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(cc2)OCC(O)COC(=O)C(=C)C"]
[2924,"1566-42-3","COc1ccc(NC(N)=O)cc1","COc1ccc(cc1)NC(N)=O",null,"COc1ccc(NC(N)=O)cc1","COc1ccc(cc1)NC(N)=O",null,"COc1ccc(NC(N)=O)cc1","COc1ccc(cc1)NC(N)=O",null,"COc1ccc(NC(N)=O)cc1","COc1ccc(cc1)NC(N)=O"]
[2925,"1568-70-3","COc1ccc(O)c([N+](=O)[O-])c1","COc1cc(c(cc1)O)[N+](=O)[O-]",null,"COc1ccc(O)c([N+](=O)[O-])c1","COc1cc(c(cc1)O)[N+](=O)[O-]",null,"COc1ccc(O)c([N+](=O)[O-])c1","COc1cc(c(cc1)O)[N+](=O)[O-]",null,"COc1ccc(O)c([N+](=O)[O-])c1","COc1cc(c(cc1)O)[N+](=O)[O-]"]
[2926,"1569-01-3","CCCOCC(C)O","CCCOCC(C)O",null,"CCCOCC(C)O","CCCOCC(C)O",null,"CCCOCC(C)O","CCCOCC(C)O",null,"CCCOCC(C)O","CCCOCC(C)O"]
[2927,"1569-50-2","CC=CC(C)O","CC=CC(C)O",null,"CC=CC(C)O","CC=CC(C)O",null,"CC=CC(C)O","CC=CC(C)O",null,"CC=CC(C)O","CC=CC(C)O"]
[2928,"1570-64-5","Cc1cc(Cl)ccc1O","Cc1c(ccc(c1)Cl)O",null,"Cc1cc(Cl)ccc1O","Cc1c(ccc(c1)Cl)O",null,"Cc1cc(Cl)ccc1O","Cc1c(ccc(c1)Cl)O",null,"Cc1cc(Cl)ccc1O","Cc1c(ccc(c1)Cl)O"]
[2929,"1570-65-6","Cc1cc(Cl)cc(Cl)c1O","Cc1c(c(cc(c1)Cl)Cl)O",null,"Cc1cc(Cl)cc(Cl)c1O","Cc1c(c(cc(c1)Cl)Cl)O",null,"Cc1cc(Cl)cc(Cl)c1O","Cc1c(c(cc(c1)Cl)Cl)O",null,"Cc1cc(Cl)cc(Cl)c1O","Cc1c(c(cc(c1)Cl)Cl)O"]
[2930,"1571-33-1","O=P(O)(O)c1ccccc1","O=P(O)(O)c1ccccc1",null,"O=P(O)(O)c1ccccc1","O=P(O)(O)c1ccccc1",null,"O=P(O)(O)c1ccccc1","O=P(O)(O)c1ccccc1",null,"O=P(O)(O)c1ccccc1","O=P(O)(O)c1ccccc1"]
[2931,"1576-42-7","NC(=O)c1cccc(S(N)(=O)=O)c1","NC(=O)c1cc(ccc1)S(N)(=O)=O",{"$nulls":4},"NC(=O)c1cccc(S(N)(=O)=O)c1","NC(=O)c1cc(ccc1)S(N)(=O)=O",null,"NC(=O)c1cccc(S(N)(=O)=O)c1","NC(=O)c1cc(ccc1)S(N)(=O)=O"]
[2932,"1578-21-8","O=C(O)C=C(Br)Br","O=C(O)C=C(Br)Br",{"$nulls":4},"O=C(O)C=C(Br)Br","O=C(O)C=C(Br)Br",null,"O=C(O)C=C(Br)Br","O=C(O)C=C(Br)Br"]
[2933,"1578-72-9","O=C(O)C(Br)=CBr","O=C(O)C(Br)=CBr"]
[2934,"1582-09-8","CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",null,"CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",null,"CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",null,"CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]"]
[2935,"1587-18-4","CCCCOC(=O)CC(O)C(=O)OCCCC","CCCCOC(=O)CC(O)C(=O)OCCCC",null,"CCCCOC(=O)CC(O)C(=O)OCCCC","CCCCOC(=O)CC(O)C(=O)OCCCC",{"$nulls":4},"CCCCOC(=O)CC(O)C(=O)OCCCC","CCCCOC(=O)CC(O)C(=O)OCCCC"]
[2936,"1589-36-2","CC(NC(N)=O)NC(N)=O","CC(NC(N)=O)NC(N)=O",{"$nulls":4},"CC(NC(=N)O)NC(=N)O","CC(NC(=N)O)NC(=N)O",null,"CC(NC(=N)O)NC(=N)O","CC(NC(=N)O)NC(=N)O"]
[2937,"1589-61-3","NC(=O)NN=C1CCCCC1","NC(=O)NN=C1CCCCC1",null,"NC(=O)NN=C1CCCCC1","NC(=O)NN=C1CCCCC1",null,"NC(=O)NN=C1CCCCC1","NC(=O)NN=C1CCCCC1",null,"NC(=O)NN=C1CCCCC1","NC(=O)NN=C1CCCCC1"]
[2938,"1590-22-3","O=C(O)CCC(=O)c1ccc2ccccc2c1","O=C(O)CCC(=O)c1cc2c(cc1)cccc2",null,"O=C(O)CCC(=O)c1ccc2ccccc2c1","O=C(O)CCC(=O)c1cc2c(cc1)cccc2",{"$nulls":4},"O=C(O)CCC(=O)c1ccc2ccccc2c1","O=C(O)CCC(=O)c1cc2c(cc1)cccc2"]
[2939,"1596-84-5","CN(C)NC(=O)CCC(=O)O","CN(C)NC(=O)CCC(=O)O",null,"CN(C)NC(=O)CCC(=O)O","CN(C)NC(=O)CCC(=O)O",null,"CN(C)NC(=O)CCC(=O)O","CN(C)NC(=O)CCC(=O)O",null,"CN(C)NC(=O)CCC(=O)O","CN(C)NC(=O)CCC(=O)O"]
[2940,"1600-27-7",{"$nulls":3},"[Hg+2]","[Hg+2]","CC([O-])=O(2)","[Hg+2]","[Hg+2]","CC([O-])=O(2)","[Hg+2]","[Hg+2]","CC([O-])=O(2)"]
[2941,"1607-17-6","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]",null,"O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]",null,"O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]",null,"O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]"]
[2942,"1610-17-9","CCNc1nc(NC(C)C)nc(OC)n1","CCNc1nc(nc(n1)NC(C)C)OC",null,"CCNc1nc(NC(C)C)nc(OC)n1","CCNc1nc(nc(n1)NC(C)C)OC",null,"CCNc1nc(NC(C)C)nc(OC)n1","CCNc1nc(nc(n1)NC(C)C)OC",null,"CCNc1nc(NC(C)C)nc(OC)n1","CCNc1nc(nc(n1)NC(C)C)OC"]
[2943,"1610-18-0","COc1nc(NC(C)C)nc(NC(C)C)n1","COc1nc(nc(n1)NC(C)C)NC(C)C",null,"COc1nc(NC(C)C)nc(NC(C)C)n1","COc1nc(nc(n1)NC(C)C)NC(C)C",null,"COc1nc(NC(C)C)nc(NC(C)C)n1","COc1nc(nc(n1)NC(C)C)NC(C)C",null,"COc1nc(NC(C)C)nc(NC(C)C)n1","COc1nc(nc(n1)NC(C)C)NC(C)C"]
[2944,"1615-70-9","C=CC=CC#N","C=CC=CC#N",null,"C=CC=CC#N","C=CC=CC#N",null,"C=CC=CC#N","C=CC=CC#N",null,"C=CC=CC#N","C=CC=CC#N"]
[2945,"1622-61-3","O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1","O=C1Nc2c(C(=NC1)c3c(cccc3)Cl)cc([N+](=O)[O-])cc2",null,"O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1","O=C1Nc2c(C(=NC1)c3c(cccc3)Cl)cc([N+](=O)[O-])cc2",null,"O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1","O=C1Nc2c(C(=NC1)c3c(cccc3)Cl)cc([N+](=O)[O-])cc2",null,"O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1","O=C1Nc2c(C(=NC1)c3c(cccc3)Cl)cc([N+](=O)[O-])cc2"]
[2946,"1631-58-9","CN(C)C1CSSC1","CN(C)C1CSSC1",null,"CN(C)C1CSSC1","CN(C)C1CSSC1",null,"CN(C)C1CSSC1","CN(C)C1CSSC1",null,"CN(C)C1CSSC1","CN(C)C1CSSC1"]
[2947,"1634-04-4","COC(C)(C)C","COC(C)(C)C",null,"COC(C)(C)C","COC(C)(C)C",null,"COC(C)(C)C","COC(C)(C)C",null,"COC(C)(C)C","COC(C)(C)C"]
[2948,"1634-78-2","CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC","CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC",null,"CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC","CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC",null,"CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC","CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC",null,"CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC","CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC"]
[2949,"1639-09-4","CCCCCCCS","CCCCCCCS",null,"CCCCCCCS","CCCCCCCS",null,"CCCCCCCS","CCCCCCCS",null,"CCCCCCCS","CCCCCCCS"]
[2950,"1646-87-3","CNC(=O)ON=CC(C)(C)S(C)=O","CNC(=O)ON=CC(C)(C)S(C)=O",null,"CNC(=O)ON=CC(C)(C)S(C)=O","CNC(=O)ON=CC(C)(C)S(C)=O",null,"CNC(=O)ON=CC(C)(C)S(C)=O","CNC(=O)ON=CC(C)(C)S(C)=O",null,"CNC(=O)ON=CC(C)(C)S(C)=O","CNC(=O)ON=CC(C)(C)S(C)=O"]
[2951,"1646-88-4","CNC(=O)ON=CC(C)(C)S(C)(=O)=O","CNC(=O)ON=CC(C)(C)S(C)(=O)=O",null,"CNC(=O)ON=CC(C)(C)S(C)(=O)=O","CNC(=O)ON=CC(C)(C)S(C)(=O)=O",null,"CNC(=O)ON=CC(C)(C)S(C)(=O)=O","CNC(=O)ON=CC(C)(C)S(C)(=O)=O",null,"CNC(=O)ON=CC(C)(C)S(C)(=O)=O","CNC(=O)ON=CC(C)(C)S(C)(=O)=O"]
[2952,"1649-08-7","FC(F)(Cl)CCl","FC(F)(Cl)CCl",null,"FC(F)(Cl)CCl","FC(F)(Cl)CCl",null,"FC(F)(Cl)CCl","FC(F)(Cl)CCl",null,"FC(F)(Cl)CCl","FC(F)(Cl)CCl"]
[2953,"1653-30-1","CCCCCCCCCC(C)O","CCCCCCCCCC(C)O",null,"CCCCCCCCCC(C)O","CCCCCCCCCC(C)O",null,"CCCCCCCCCC(C)O","CCCCCCCCCC(C)O",null,"CCCCCCCCCC(C)O","CCCCCCCCCC(C)O"]
[2954,"1653-40-3","CC(C)CCCCCO","CC(C)CCCCCO",null,"CC(C)CCCCCO","CC(C)CCCCCO",null,"CC(C)CCCCCO","CC(C)CCCCCO",null,"CC(C)CCCCCO","CC(C)CCCCCO"]
[2955,"1660-93-1","Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C","Cc1c(c2c(nc1)c3c(cc2)c(C)c(C)cn3)C",null,"Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C","Cc1c(c2c(nc1)c3c(cc2)c(C)c(C)cn3)C",null,"Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C","Cc1c(c2c(nc1)c3c(cc2)c(C)c(C)cn3)C",null,"Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C","Cc1c(c2c(nc1)c3c(cc2)c(C)c(C)cn3)C"]
[2956,"1668-19-5","CN(C)CCC=C1c2ccccc2COc2ccccc21","CN(C)CCC=C1c2c(OCc3c1cccc3)cccc2","[Cl-](1), [H+](1)","CN(C)CCC=C1c2ccccc2COc2ccccc21","CN(C)CCC=C1c2c(OCc3c1cccc3)cccc2",null,"CN(C)CCC=C1c2ccccc2COc2ccccc21","CN(C)CCC=C1c2c(OCc3c1cccc3)cccc2",null,"CN(C)CCC=C1c2ccccc2COc2ccccc21","CN(C)CCC=C1c2c(OCc3c1cccc3)cccc2"]
[2957,"1678-91-7","CCC1CCCCC1","CCC1CCCCC1",null,"CCC1CCCCC1","CCC1CCCCC1",null,"CCC1CCCCC1","CCC1CCCCC1",null,"CCC1CCCCC1","CCC1CCCCC1"]
[2958,"1686-14-2","CC1(C)C2CC3OC3(C)C1C2","CC1(C2C3(C(CC1C2)O3)C)C",null,"CC1(C)C2CC3OC3(C)C1C2","CC1(C2C3(C(CC1C2)O3)C)C",null,"CC1(C)C2CC3OC3(C)C1C2","CC1(C2C3(C(CC1C2)O3)C)C",null,"CC1(C)C2CC3OC3(C)C1C2","CC1(C2C3(C(CC1C2)O3)C)C"]
[2959,"1689-09-4","CC1(C)OC(=O)c2ccccc21","CC1(c2c(C(O1)=O)cccc2)C",null,"CC1(C)OC(=O)c2ccccc21","CC1(c2c(C(O1)=O)cccc2)C",{"$nulls":4},"CC1(C)OC(=O)c2ccccc21","CC1(c2c(C(O1)=O)cccc2)C"]
[2960,"1689-82-3","O=C1C=CC(=NNc2ccccc2)C=C1","O=C1C=CC(C=C1)=NNc2ccccc2",null,"O=C1C=CC(=NNc2ccccc2)C=C1","O=C1C=CC(C=C1)=NNc2ccccc2",null,"Oc1ccc(N=Nc2ccccc2)cc1","Oc1ccc(cc1)N=Nc2ccccc2",null,"Oc1ccc(N=Nc2ccccc2)cc1","Oc1ccc(cc1)N=Nc2ccccc2"]
[2961,"1689-83-4","N#Cc1cc(I)c(O)c(I)c1","N#Cc1cc(c(c(c1)I)O)I",null,"N#Cc1cc(I)c(O)c(I)c1","N#Cc1cc(c(c(c1)I)O)I",null,"N#Cc1cc(I)c(O)c(I)c1","N#Cc1cc(c(c(c1)I)O)I",null,"N#Cc1cc(I)c(O)c(I)c1","N#Cc1cc(c(c(c1)I)O)I"]
[2962,"1689-84-5","N#Cc1cc(Br)c(O)c(Br)c1","N#Cc1cc(c(c(c1)Br)O)Br",null,"N#Cc1cc(Br)c(O)c(Br)c1","N#Cc1cc(c(c(c1)Br)O)Br",null,"N#Cc1cc(Br)c(O)c(Br)c1","N#Cc1cc(c(c(c1)Br)O)Br",null,"N#Cc1cc(Br)c(O)c(Br)c1","N#Cc1cc(c(c(c1)Br)O)Br"]
[2963,"1689-99-2","CCCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br","CCCCCCCC(=O)Oc1c(cc(cc1Br)C#N)Br",null,"CCCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br","CCCCCCCC(=O)Oc1c(cc(cc1Br)C#N)Br",null,"CCCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br","CCCCCCCC(=O)Oc1c(cc(cc1Br)C#N)Br",null,"CCCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br","CCCCCCCC(=O)Oc1c(cc(cc1Br)C#N)Br"]
[2964,"1698-53-9","O=c1c(Cl)c(Cl)cnn1-c1ccccc1","O=c1n(ncc(c1Cl)Cl)-c2ccccc2",null,"O=c1c(Cl)c(Cl)cnn1-c1ccccc1","O=c1n(ncc(c1Cl)Cl)-c2ccccc2",null,"O=c1c(Cl)c(Cl)cnn1-c1ccccc1","O=c1n(ncc(c1Cl)Cl)-c2ccccc2",null,"O=c1c(Cl)c(Cl)cnn1-c1ccccc1","O=c1n(ncc(c1Cl)Cl)-c2ccccc2"]
[2965,"1698-60-8","Nc1cnn(-c2ccccc2)c(=O)c1Cl","Nc1c(c(n(nc1)-c2ccccc2)=O)Cl",null,"Nc1cnn(-c2ccccc2)c(=O)c1Cl","Nc1c(c(n(nc1)-c2ccccc2)=O)Cl",null,"Nc1cnn(-c2ccccc2)c(=O)c1Cl","Nc1c(c(n(nc1)-c2ccccc2)=O)Cl",null,"Nc1cnn(-c2ccccc2)c(=O)c1Cl","Nc1c(c(n(nc1)-c2ccccc2)=O)Cl"]
[2966,"1702-17-6","O=C(O)c1nc(Cl)ccc1Cl","O=C(O)c1c(ccc(n1)Cl)Cl",null,"O=C(O)c1nc(Cl)ccc1Cl","O=C(O)c1c(ccc(n1)Cl)Cl",null,"O=C(O)c1nc(Cl)ccc1Cl","O=C(O)c1c(ccc(n1)Cl)Cl",null,"O=C(O)c1nc(Cl)ccc1Cl","O=C(O)c1c(ccc(n1)Cl)Cl"]
[2967,"1703-58-8",{"$nulls":3},"O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O","O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O"]
[2968,"1705-85-7","Cc1cc2c3ccccc3ccc2c2ccccc12","Cc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2",null,"Cc1cc2c3ccccc3ccc2c2ccccc12","Cc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2",null,"Cc1cc2c3ccccc3ccc2c2ccccc12","Cc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2",null,"Cc1cc2c3ccccc3ccc2c2ccccc12","Cc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2"]
[2969,"1708-33-4"]
[2970,"1712-64-7","CC(C)O[N+](=O)[O-]","CC(C)O[N+](=O)[O-]",null,"CC(C)O[N+](=O)[O-]","CC(C)O[N+](=O)[O-]",null,"CC(C)O[N+](=O)[O-]","CC(C)O[N+](=O)[O-]",null,"CC(C)O[N+](=O)[O-]","CC(C)O[N+](=O)[O-]"]
[2971,"1717-00-6","CC(F)(Cl)Cl","CC(F)(Cl)Cl",null,"CC(F)(Cl)Cl","CC(F)(Cl)Cl",null,"CC(F)(Cl)Cl","CC(F)(Cl)Cl",null,"CC(F)(Cl)Cl","CC(F)(Cl)Cl"]
[2972,"1730-37-6","Cc1cccc2c1Cc1ccccc1-2","Cc1c2c(ccc1)-c3c(C2)cccc3",null,"Cc1cccc2c1Cc1ccccc1-2","Cc1c2c(ccc1)-c3c(C2)cccc3",null,"Cc1cccc2c1Cc1ccccc1-2","Cc1c2c(ccc1)-c3c(C2)cccc3",null,"Cc1cccc2c1Cc1ccccc1-2","Cc1c2c(ccc1)-c3c(C2)cccc3"]
[2973,"1730-44-5","COc1ccc2c(c1)Sc1ccc(Cl)cc1N2","COc1cc2c(cc1)Nc3c(S2)ccc(Cl)c3",null,"COc1ccc2c(c1)Sc1ccc(Cl)cc1N2","COc1cc2c(cc1)Nc3c(S2)ccc(Cl)c3",null,"COc1ccc2c(c1)Sc1ccc(Cl)cc1N2","COc1cc2c(cc1)Nc3c(S2)ccc(Cl)c3",null,"COc1ccc2c(c1)Sc1ccc(Cl)cc1N2","COc1cc2c(cc1)Nc3c(S2)ccc(Cl)c3"]
[2974,"1731-84-6","CCCCCCCCC(=O)OC","CCCCCCCCC(=O)OC",null,"CCCCCCCCC(=O)OC","CCCCCCCCC(=O)OC",null,"CCCCCCCCC(=O)OC","CCCCCCCCC(=O)OC",null,"CCCCCCCCC(=O)OC","CCCCCCCCC(=O)OC"]
[2975,"1732-13-4","c1cc2c3c(ccc4c3c1CCC4)CCC2","c1c2c3c4c(c1)CCCc4ccc3CCC2",null,"c1cc2c3c(ccc4c3c1CCC4)CCC2","c1c2c3c4c(c1)CCCc4ccc3CCC2",null,"c1cc2c3c(ccc4c3c1CCC4)CCC2","c1c2c3c4c(c1)CCCc4ccc3CCC2",null,"c1cc2c3c(ccc4c3c1CCC4)CCC2","c1c2c3c4c(c1)CCCc4ccc3CCC2"]
[2976,"1740-19-8","CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C","CC(C)c1cc2c(cc1)C3(C(CC2)C(C)(C(=O)O)CCC3)C",null,"CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C","CC(C)c1cc2c(cc1)C3(C(CC2)C(C)(C(=O)O)CCC3)C",null,"CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C","CC(C)c1cc2c(cc1)C3(C(CC2)C(C)(C(=O)O)CCC3)C",null,"CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C","CC(C)c1cc2c(cc1)C3(C(CC2)C(C)(C(=O)O)CCC3)C"]
[2977,"1743-13-1",{"$nulls":3},"C1NNCN2CNNCN12","C1N2N(CNN1)CNNC2",{"$nulls":4},"C1NNCN2CNNCN12","C1N2N(CNN1)CNNC2"]
[2978,"1746-01-6","Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2","Clc1c(cc2c(c1)Oc3c(O2)cc(Cl)c(Cl)c3)Cl",null,"Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2","Clc1c(cc2c(c1)Oc3c(O2)cc(Cl)c(Cl)c3)Cl",null,"Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2","Clc1c(cc2c(c1)Oc3c(O2)cc(Cl)c(Cl)c3)Cl",null,"Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2","Clc1c(cc2c(c1)Oc3c(O2)cc(Cl)c(Cl)c3)Cl"]
[2979,"1746-81-2","CON(C)C(=O)Nc1ccc(Cl)cc1","CON(C)C(=O)Nc1ccc(cc1)Cl",null,"CON(C)C(=O)Nc1ccc(Cl)cc1","CON(C)C(=O)Nc1ccc(cc1)Cl",null,"CON(C)C(=O)Nc1ccc(Cl)cc1","CON(C)C(=O)Nc1ccc(cc1)Cl",null,"CON(C)C(=O)Nc1ccc(Cl)cc1","CON(C)C(=O)Nc1ccc(cc1)Cl"]
[2980,"1752-96-1","O=C(Nc1ccccc1)c1cccnc1","O=C(Nc1ccccc1)c2cnccc2",null,"O=C(Nc1ccccc1)c1cccnc1","O=C(Nc1ccccc1)c2cnccc2",null,"O=C(Nc1ccccc1)c1cccnc1","O=C(Nc1ccccc1)c2cnccc2",null,"O=C(Nc1ccccc1)c1cccnc1","O=C(Nc1ccccc1)c2cnccc2"]
[2981,"1753-29-3","Nc1ccc2snnc2c1","Nc1cc2c(cc1)snn2",{"$nulls":4},"Nc1ccc2snnc2c1","Nc1cc2c(cc1)snn2",null,"Nc1ccc2snnc2c1","Nc1cc2c(cc1)snn2"]
[2982,"1758-74-3","CC(NC=NN)C(=O)O","CC(NC=NN)C(=O)O",null,"CC(N=C(N)N)C(=O)O","CC(N=C(N)N)C(=O)O",null,"CC(NC(=N)N)C(=O)O","CC(NC(=N)N)C(=O)O",null,"CC(NC(=N)N)C(=O)O","CC(NC(=N)N)C(=O)O"]
[2983,"1761-61-1","O=Cc1cc(Br)ccc1O","O=Cc1c(ccc(c1)Br)O",null,"O=Cc1cc(Br)ccc1O","O=Cc1c(ccc(c1)Br)O",null,"O=Cc1cc(Br)ccc1O","O=Cc1c(ccc(c1)Br)O",null,"O=Cc1cc(Br)ccc1O","O=Cc1c(ccc(c1)Br)O"]
[2984,"1762-95-4","N#C[S-]","N#CS","[NH4+](1)","N#C[S-]","N#CS","[NH4+](1)","N#C[S-]","N#CS","[NH4+](1)","N#C[S-]","N#CS","[NH4+](1)"]
[2985,"1777-82-8","OCc1ccc(Cl)cc1Cl","OCc1c(cc(cc1)Cl)Cl",null,"OCc1ccc(Cl)cc1Cl","OCc1c(cc(cc1)Cl)Cl",null,"OCc1ccc(Cl)cc1Cl","OCc1c(cc(cc1)Cl)Cl",null,"OCc1ccc(Cl)cc1Cl","OCc1c(cc(cc1)Cl)Cl"]
[2986,"1779-48-2","O=[PH](O)c1ccccc1","O=P(O)c1ccccc1",null,"O=[P+](O)c1ccccc1","O=[P+](O)c1ccccc1",null,"O=[PH](O)c1ccccc1","O=P(O)c1ccccc1",null,"O=[PH](O)c1ccccc1","O=P(O)c1ccccc1"]
[2987,"1794-84-9","O=[N+]([O-])CCl","O=[N+]([O-])CCl",null,"O=[N+]([O-])CCl","O=[N+]([O-])CCl",null,"O=[N+]([O-])CCl","O=[N+]([O-])CCl",null,"O=[N+]([O-])CCl","O=[N+]([O-])CCl"]
[2988,"1804-15-5","CC(C=NO)=NO","CC(C=NO)=NO",null,"CC(=CN=O)NO","CC(=CN=O)NO",null,"CC(C=NO)=NO","CC(C=NO)=NO",null,"CC(C=NO)=NO","CC(C=NO)=NO"]
[2989,"1805-32-9","OCc1ccc(Cl)c(Cl)c1","OCc1cc(c(cc1)Cl)Cl",null,"OCc1ccc(Cl)c(Cl)c1","OCc1cc(c(cc1)Cl)Cl",null,"OCc1ccc(Cl)c(Cl)c1","OCc1cc(c(cc1)Cl)Cl",null,"OCc1ccc(Cl)c(Cl)c1","OCc1cc(c(cc1)Cl)Cl"]
[2990,"1809-19-4","CCCCOP([O-])OCCCC","CCCCOP(O)OCCCC",null,"CCCCO[P+](=O)OCCCC","CCCCO[P+](=O)OCCCC",null,"CCCCO[PH](=O)OCCCC","CCCCOP(=O)OCCCC",null,"CCCCO[PH](=O)OCCCC","CCCCOP(=O)OCCCC"]
[2991,"1824-09-5","COCCCNc1nc(Cl)nc(NC(C)C)n1","COCCCNc1nc(nc(n1)Cl)NC(C)C",null,"COCCCNc1nc(Cl)nc(NC(C)C)n1","COCCCNc1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},"COCCCNc1nc(Cl)nc(NC(C)C)n1","COCCCNc1nc(nc(n1)Cl)NC(C)C"]
[2992,"1825-30-5","Clc1cccc2c(Cl)cccc12","Clc1c2c(ccc1)c(Cl)ccc2",null,"Clc1cccc2c(Cl)cccc12","Clc1c2c(ccc1)c(Cl)ccc2",null,"Clc1cccc2c(Cl)cccc12","Clc1c2c(ccc1)c(Cl)ccc2",null,"Clc1cccc2c(Cl)cccc12","Clc1c2c(ccc1)c(Cl)ccc2"]
[2993,"1825-31-6","Clc1ccc(Cl)c2ccccc12","Clc1c2c(c(cc1)Cl)cccc2",null,"Clc1ccc(Cl)c2ccccc12","Clc1c2c(c(cc1)Cl)cccc2",null,"Clc1ccc(Cl)c2ccccc12","Clc1c2c(c(cc1)Cl)cccc2",null,"Clc1ccc(Cl)c2ccccc12","Clc1c2c(c(cc1)Cl)cccc2"]
[2994,"1829-32-9","O=C(O)c1cccc(Cl)c1O","O=C(O)c1c(c(ccc1)Cl)O",null,"O=C(O)c1cccc(Cl)c1O","O=C(O)c1c(c(ccc1)Cl)O",null,"O=C(O)c1cccc(Cl)c1O","O=C(O)c1c(c(ccc1)Cl)O"]
[2995,"1830-32-6",{"$nulls":3},"CCN(CC)C(=O)CSc1ccc(Cl)nn1","CCN(CC)C(=O)CSc1nnc(cc1)Cl",{"$nulls":4},"CCN(CC)C(=O)CSc1ccc(Cl)nn1","CCN(CC)C(=O)CSc1nnc(cc1)Cl"]
[2996,"1836-75-5","O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",null,"O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",null,"O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",null,"O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)Cl)Cl"]
[2997,"1836-77-7","O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2Cl)Cl)Cl",null,"O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2Cl)Cl)Cl",null,"O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2Cl)Cl)Cl",null,"O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2Cl)Cl)Cl"]
[2998,"1838-73-9","CCCC(O)C(C)CC","CCCC(O)C(C)CC",null,"CCCC(O)C(C)CC","CCCC(O)C(C)CC",null,"CCCC(O)C(C)CC","CCCC(O)C(C)CC",null,"CCCC(O)C(C)CC","CCCC(O)C(C)CC"]
[2999,"1841-19-6","O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2","O=C1C2(N(CN1)c3ccccc3)CCN(CC2)CCCC(c4ccc(cc4)F)c5ccc(cc5)F",null,"O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2","O=C1C2(N(CN1)c3ccccc3)CCN(CC2)CCCC(c4ccc(cc4)F)c5ccc(cc5)F",null,"O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2","O=C1C2(N(CN1)c3ccccc3)CCN(CC2)CCCC(c4ccc(cc4)F)c5ccc(cc5)F",null,"O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2","O=C1C2(N(CN1)c3ccccc3)CCN(CC2)CCCC(c4ccc(cc4)F)c5ccc(cc5)F"]
[3000,"1846-76-0",{"$nulls":3},"CCOC(=O)c1cc2ccccc2oc1=O","CCOC(=O)c1c(oc2c(c1)cccc2)=O",{"$nulls":4},"CCOC(=O)c1cc2ccccc2oc1=O","CCOC(=O)c1c(oc2c(c1)cccc2)=O"]
[3001,"1852-04-6","O=C(O)CCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCC(=O)O",null,"O=C(O)CCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCC(=O)O",null,"O=C(O)CCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCC(=O)O",null,"O=C(O)CCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCC(=O)O"]
[3002,"1861-32-1","COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl","COC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)OC)Cl)Cl",null,"COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl","COC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)OC)Cl)Cl",null,"COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl","COC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)OC)Cl)Cl",null,"COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl","COC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)OC)Cl)Cl"]
[3003,"1861-40-1","CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",null,"CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",null,"CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",null,"CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]"]
[3004,"1861-44-5","CC(O)COCc1c(Cl)ccc(Cl)c1Cl","CC(O)COCc1c(c(ccc1Cl)Cl)Cl",null,"CC(O)COCc1c(Cl)ccc(Cl)c1Cl","CC(O)COCc1c(c(ccc1Cl)Cl)Cl",null,"CC(O)COCc1c(Cl)ccc(Cl)c1Cl","CC(O)COCc1c(c(ccc1Cl)Cl)Cl",null,"CC(O)COCc1c(Cl)ccc(Cl)c1Cl","CC(O)COCc1c(c(ccc1Cl)Cl)Cl"]
[3005,"1867-66-9","CNC1(c2ccccc2Cl)CCCCC1=O","CNC1(C(CCCC1)=O)c2c(cccc2)Cl",null,"CNC1(c2ccccc2Cl)CCCCC1=O","CNC1(C(CCCC1)=O)c2c(cccc2)Cl","[Cl-](1), [H+](1)","CNC1(c2ccccc2Cl)CCCCC1=O","CNC1(C(CCCC1)=O)c2c(cccc2)Cl",null,"CNC1(c2ccccc2Cl)CCCCC1=O","CNC1(C(CCCC1)=O)c2c(cccc2)Cl","Cl(1)"]
[3006,"1867-85-2","Cc1cc(O)c(Cc2ccccc2)c(C)c1Cl","Cc1c(c(c(c(c1)O)Cc2ccccc2)C)Cl",{"$nulls":4},"Cc1cc(O)c(Cc2ccccc2)c(C)c1Cl","Cc1c(c(c(c(c1)O)Cc2ccccc2)C)Cl",null,"Cc1cc(O)c(Cc2ccccc2)c(C)c1Cl","Cc1c(c(c(c(c1)O)Cc2ccccc2)C)Cl"]
[3007,"1871-89-2","O=C(NCCO)C(=O)NCCO","O=C(NCCO)C(=O)NCCO",null,"O=C(NCCO)C(=O)NCCO","O=C(NCCO)C(=O)NCCO",{"$nulls":4},"O=C(NCCO)C(=O)NCCO","O=C(NCCO)C(=O)NCCO"]
[3008,"1874-54-0","Nc1ncnc2c1ncn2C1(CO)OC(CO)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3(C(C(C(O3)CO)O)O)CO",null,"Nc1ncnc2c1ncn2C1(CO)OC(CO)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3(C(C(C(O3)CO)O)O)CO",null,"Nc1ncnc2c1ncn2C1(CO)OC(CO)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3(C(C(C(O3)CO)O)O)CO",null,"Nc1ncnc2c1ncn2C1(CO)OC(CO)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3(C(C(C(O3)CO)O)O)CO"]
[3009,"1878-49-5","COC(=O)COc1ccccc1","COC(=O)COc1ccccc1",null,"Cc1ccccc1OCC(=O)O","Cc1c(cccc1)OCC(=O)O",null,"Cc1ccccc1OCC(=O)O","Cc1c(cccc1)OCC(=O)O",null,"Cc1ccccc1OCC(=O)O","Cc1c(cccc1)OCC(=O)O"]
[3010,"1878-56-4",{"$nulls":3},"O=C(O)COc1ccc(C2CCCCC2)cc1","O=C(O)COc1ccc(cc1)C2CCCCC2",{"$nulls":4},"O=C(O)COc1ccc(C2CCCCC2)cc1","O=C(O)COc1ccc(cc1)C2CCCCC2"]
[3011,"1878-87-1","O=C(COc1ccccc1)O[N+](=O)[O-]","O=C(COc1ccccc1)O[N+](=O)[O-]",null,"O=C(O)COc1ccccc1[N+](=O)[O-]","O=C(O)COc1c(cccc1)[N+](=O)[O-]",null,"O=C(O)COc1ccccc1[N+](=O)[O-]","O=C(O)COc1c(cccc1)[N+](=O)[O-]",null,"O=C(O)COc1ccccc1[N+](=O)[O-]","O=C(O)COc1c(cccc1)[N+](=O)[O-]"]
[3012,"1886-75-5","CC(C)(C)S(=O)(=O)C(C)(C)C","CC(C)(C)S(=O)(=O)C(C)(C)C",null,"CC(C)(C)S(=O)(=O)C(C)(C)C","CC(C)(C)S(=O)(=O)C(C)(C)C",{"$nulls":4},"CC(C)(C)S(=O)(=O)C(C)(C)C","CC(C)(C)S(=O)(=O)C(C)(C)C"]
[3013,"1888-71-7","ClC(Cl)=C(Cl)C(Cl)(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)(Cl)Cl",null,"ClC(Cl)=C(Cl)C(Cl)(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)(Cl)Cl",null,"ClC(Cl)=C(Cl)C(Cl)(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)(Cl)Cl",null,"ClC(Cl)=C(Cl)C(Cl)(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)(Cl)Cl"]
[3014,"1897-45-6","N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl","N#Cc1c(c(c(c(c1Cl)Cl)Cl)C#N)Cl",null,"N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl","N#Cc1c(c(c(c(c1Cl)Cl)Cl)C#N)Cl",null,"N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl","N#Cc1c(c(c(c(c1Cl)Cl)Cl)C#N)Cl",null,"N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl","N#Cc1c(c(c(c(c1Cl)Cl)Cl)C#N)Cl"]
[3015,"1899-24-7","O=Cc1ccc(Br)o1","O=Cc1oc(cc1)Br",null,"O=Cc1ccc(Br)o1","O=Cc1oc(cc1)Br",null,"O=Cc1ccc(Br)o1","O=Cc1oc(cc1)Br",null,"O=Cc1ccc(Br)o1","O=Cc1oc(cc1)Br"]
[3016,"1899-94-1","Cc1cccc(S(N)(=O)=O)c1","Cc1cc(ccc1)S(N)(=O)=O",null,"Cc1cccc(S(N)(=O)=O)c1","Cc1cc(ccc1)S(N)(=O)=O",{"$nulls":4},"Cc1cccc(S(N)(=O)=O)c1","Cc1cc(ccc1)S(N)(=O)=O"]
[3017,"1904-64-9","C1=Nc2ccccc2CN1","C=1NCc2c(N1)cccc2"]
[3018,"1910-42-5","C[n+]1ccc(-c2cc[n+](C)cc2)cc1","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","[Cl-](2)","C[n+]1ccc(-c2cc[n+](C)cc2)cc1","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","[Cl-](2)","C[n+]1ccc(-c2cc[n+](C)cc2)cc1","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","[Cl-](2)","C[n+]1ccc(-c2cc[n+](C)cc2)cc1","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","[Cl-](2)"]
[3019,"1912-24-9","CCNc1nc(Cl)nc(NC(C)C)n1","CCNc1nc(nc(n1)Cl)NC(C)C",null,"CCNc1nc(Cl)nc(NC(C)C)n1","CCNc1nc(nc(n1)Cl)NC(C)C",null,"CCNc1nc(Cl)nc(NC(C)C)n1","CCNc1nc(nc(n1)Cl)NC(C)C"]
[3020,"1912-25-0","CCN(CC)c1nc(Cl)nc(NC(C)C)n1","CCN(CC)c1nc(nc(n1)Cl)NC(C)C",null,"CCN(CC)c1nc(Cl)nc(NC(C)C)n1","CCN(CC)c1nc(nc(n1)Cl)NC(C)C",null,"CCN(CC)c1nc(Cl)nc(NC(C)C)n1","CCN(CC)c1nc(nc(n1)Cl)NC(C)C",null,"CCN(CC)c1nc(Cl)nc(NC(C)C)n1","CCN(CC)c1nc(nc(n1)Cl)NC(C)C"]
[3021,"1912-26-1","CCNc1nc(Cl)nc(N(CC)CC)n1","CCNc1nc(nc(n1)Cl)N(CC)CC",null,"CCNc1nc(Cl)nc(N(CC)CC)n1","CCNc1nc(nc(n1)Cl)N(CC)CC",null,"CCNc1nc(Cl)nc(N(CC)CC)n1","CCNc1nc(nc(n1)Cl)N(CC)CC",null,"CCNc1nc(Cl)nc(N(CC)CC)n1","CCNc1nc(nc(n1)Cl)N(CC)CC"]
[3022,"1917-15-3","Cc1ccc(C(=O)O)o1","Cc1oc(cc1)C(=O)O",null,"Cc1ccc(C(=O)O)o1","Cc1oc(cc1)C(=O)O",null,"Cc1ccc(C(=O)O)o1","Cc1oc(cc1)C(=O)O",null,"Cc1ccc(C(=O)O)o1","Cc1oc(cc1)C(=O)O"]
[3023,"1917-64-2","COCc1ccc(C=O)o1","COCc1oc(cc1)C=O",null,"COCc1ccc(C=O)o1","COCc1oc(cc1)C=O",null,"COCc1ccc(C=O)o1","COCc1oc(cc1)C=O",null,"COCc1ccc(C=O)o1","COCc1oc(cc1)C=O"]
[3024,"1918-00-9","COc1c(Cl)ccc(Cl)c1C(=O)O","COc1c(c(ccc1Cl)Cl)C(=O)O",null,"COc1c(Cl)ccc(Cl)c1C(=O)O","COc1c(c(ccc1Cl)Cl)C(=O)O",null,"COc1c(Cl)ccc(Cl)c1C(=O)O","COc1c(c(ccc1Cl)Cl)C(=O)O",null,"COc1c(Cl)ccc(Cl)c1C(=O)O","COc1c(c(ccc1Cl)Cl)C(=O)O"]
[3025,"1918-02-1","Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl","Nc1c(c(nc(c1Cl)Cl)C(=O)O)Cl",null,"Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl","Nc1c(c(nc(c1Cl)Cl)C(=O)O)Cl",null,"Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl","Nc1c(c(nc(c1Cl)Cl)C(=O)O)Cl",null,"Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl","Nc1c(c(nc(c1Cl)Cl)C(=O)O)Cl"]
[3026,"1918-08-7","CCCN(CCC)c1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C)[N+](=O)[O-]",null,"CCCN(CCC)c1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C)[N+](=O)[O-]",null,"CCCN(CCC)c1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C)[N+](=O)[O-]",null,"CCCN(CCC)c1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C)[N+](=O)[O-]"]
[3027,"1918-11-2","CNC(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C","CNC(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C",null,"CNC(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C","CNC(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C",null,"CNC(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C","CNC(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C",null,"CNC(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C","CNC(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C"]
[3028,"1918-13-4","NC(=S)c1c(Cl)cccc1Cl","NC(=S)c1c(cccc1Cl)Cl",null,"NC(=S)c1c(Cl)cccc1Cl","NC(=S)c1c(cccc1Cl)Cl",null,"NC(=S)c1c(Cl)cccc1Cl","NC(=S)c1c(cccc1Cl)Cl",null,"NC(=S)c1c(Cl)cccc1Cl","NC(=S)c1c(cccc1Cl)Cl"]
[3029,"1918-16-7","CC(C)N(C(=O)CCl)c1ccccc1","CC(C)N(C(=O)CCl)c1ccccc1",null,"CC(C)N(C(=O)CCl)c1ccccc1","CC(C)N(C(=O)CCl)c1ccccc1",null,"CC(C)N(C(=O)CCl)c1ccccc1","CC(C)N(C(=O)CCl)c1ccccc1",null,"CC(C)N(C(=O)CCl)c1ccccc1","CC(C)N(C(=O)CCl)c1ccccc1"]
[3030,"1927-25-9","NC(CCO)C(=O)O","NC(CCO)C(=O)O",null,"NC(CCO)C(=O)O","NC(CCO)C(=O)O",null,"NC(CCO)C(=O)O","NC(CCO)C(=O)O",null,"NC(CCO)C(=O)O","NC(CCO)C(=O)O"]
[3031,"1927-44-2","Oc1ccc2c(c1)Sc1ccccc1N2","Oc1cc2c(cc1)Nc3c(S2)cccc3",null,"Oc1ccc2c(c1)Sc1ccccc1N2","Oc1cc2c(cc1)Nc3c(S2)cccc3",null,"Oc1ccc2c(c1)Sc1ccccc1N2","Oc1cc2c(cc1)Nc3c(S2)cccc3",null,"Oc1ccc2c(c1)Sc1ccccc1N2","Oc1cc2c(cc1)Nc3c(S2)cccc3"]
[3032,"1928-38-7","COC(=O)COc1ccc(Cl)cc1Cl","COC(=O)COc1c(cc(cc1)Cl)Cl",null,"COC(=O)COc1ccc(Cl)cc1Cl","COC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},"COC(=O)COc1ccc(Cl)cc1Cl","COC(=O)COc1c(cc(cc1)Cl)Cl"]
[3033,"1928-39-8","CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl","CCOC(=O)COc1c(cc(c(c1)Cl)Cl)Cl",null,"CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl","CCOC(=O)COc1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},"CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl","CCOC(=O)COc1c(cc(c(c1)Cl)Cl)Cl"]
[3034,"1928-44-5","CCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl","CCCCCCCCOC(=O)COc1c(cc(cc1)Cl)Cl",null,"CCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl","CCCCCCCCOC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},"CCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl","CCCCCCCCOC(=O)COc1c(cc(cc1)Cl)Cl"]
[3035,"1928-61-6","CCCOC(=O)COc1ccc(Cl)cc1Cl","CCCOC(=O)COc1c(cc(cc1)Cl)Cl",null,"CCCOC(=O)COc1ccc(Cl)cc1Cl","CCCOC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},"CCCOC(=O)COc1ccc(Cl)cc1Cl","CCCOC(=O)COc1c(cc(cc1)Cl)Cl"]
[3036,"1929-29-9",{"$nulls":3},"COc1ccc(CCC(=O)O)cc1","COc1ccc(cc1)CCC(=O)O"]
[3037,"1929-73-3",{"$nulls":3},"CCCCOCCOC(=O)COc1ccc(Cl)cc1Cl","CCCCOCCOC(=O)COc1c(cc(cc1)Cl)Cl",null,"CCCCOCCOC(=O)COc1ccc(Cl)cc1Cl","CCCCOCCOC(=O)COc1c(cc(cc1)Cl)Cl",null,"CCCCOCCOC(=O)COc1ccc(Cl)cc1Cl","CCCCOCCOC(=O)COc1c(cc(cc1)Cl)Cl"]
[3038,"1929-77-7","CCCSC(=O)N(CCC)CCC","CCCSC(=O)N(CCC)CCC",null,"CCCSC(=O)N(CCC)CCC","CCCSC(=O)N(CCC)CCC",null,"CCCSC(=O)N(CCC)CCC","CCCSC(=O)N(CCC)CCC",null,"CCCSC(=O)N(CCC)CCC","CCCSC(=O)N(CCC)CCC"]
[3039,"1929-82-4","Clc1cccc(C(Cl)(Cl)Cl)n1","Clc1nc(ccc1)C(Cl)(Cl)Cl",null,"Clc1cccc(C(Cl)(Cl)Cl)n1","Clc1nc(ccc1)C(Cl)(Cl)Cl",null,"Clc1cccc(C(Cl)(Cl)Cl)n1","Clc1nc(ccc1)C(Cl)(Cl)Cl",null,"Clc1cccc(C(Cl)(Cl)Cl)n1","Clc1nc(ccc1)C(Cl)(Cl)Cl"]
[3040,"1929-88-0","CNC(=O)Nc1nc2ccccc2s1","CNC(=O)Nc1sc2c(n1)cccc2",null,"CNC(=O)Nc1nc2ccccc2s1","CNC(=O)Nc1sc2c(n1)cccc2",null,"CNC(=O)Nc1nc2ccccc2s1","CNC(=O)Nc1sc2c(n1)cccc2",null,"CNC(=O)Nc1nc2ccccc2s1","CNC(=O)Nc1sc2c(n1)cccc2"]
[3041,"1932-04-3","C1CCN(CCN2CCCCC2)CC1","C1CCN(CC1)CCN2CCCCC2",null,"C1CCN(CCN2CCCCC2)CC1","C1CCN(CC1)CCN2CCCCC2",null,"C1CCN(CCN2CCCCC2)CC1","C1CCN(CC1)CCN2CCCCC2",null,"C1CCN(CCN2CCCCC2)CC1","C1CCN(CC1)CCN2CCCCC2"]
[3042,"1943-16-4","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]",null,"O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]",null,"O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]",null,"O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]"]
[3043,"1946-00-5",{"$nulls":3},"C=C(C)C1CCC(C)(O)C(O)C1","C=C(C)C1CC(C(CC1)(C)O)O",{"$nulls":4},"C=C(C)C1CCC(C)(O)C(O)C1","C=C(C)C1CC(C(CC1)(C)O)O"]
[3044,"1948-52-3","CCCSS(=O)CCC","CCCSS(=O)CCC",null,"CCCSS(=O)CCC","CCCSS(=O)CCC",null,"CCCSS(=O)CCC","CCCSS(=O)CCC",null,"CCCSS(=O)CCC","CCCSS(=O)CCC"]
[3045,"1951-38-8","COc1c(C(=O)O)cccc1C(=O)O","COc1c(cccc1C(=O)O)C(=O)O",{"$nulls":4},"COc1c(C(=O)O)cccc1C(=O)O","COc1c(cccc1C(=O)O)C(=O)O",null,"COc1c(C(=O)O)cccc1C(=O)O","COc1c(cccc1C(=O)O)C(=O)O"]
[3046,"1956-06-5","CCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",null,"CCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",null,"CCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",null,"CCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCC(=O)Oc1ccc(cc1)[N+](=O)[O-]"]
[3047,"1956-07-6","CCCCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},"CCCCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",null,"CCCCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]"]
[3048,"1962-75-0",{"$nulls":3},"CCCCOC(=O)c1ccc(C(=O)OCCCC)cc1","CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC",{"$nulls":4},"CCCCOC(=O)c1ccc(C(=O)OCCCC)cc1","CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC"]
[3049,"1963-21-9","CC(C)C(NC(=O)CN)C(=O)O","CC(C)C(NC(=O)CN)C(=O)O",null,"CC(C)C(NC(=O)CN)C(=O)O","CC(C)C(NC(=O)CN)C(=O)O",null,"CC(C)C(N=C(O)CN)C(=O)O","CC(C)C(N=C(O)CN)C(=O)O",null,"CC(C)C(N=C(O)CN)C(=O)O","CC(C)C(N=C(O)CN)C(=O)O"]
[3050,"1964-73-4","O=C(CCCCC(=O)NCCO)NCCO","O=C(CCCCC(=O)NCCO)NCCO",null,"O=C(CCCCC(=O)NCCO)NCCO","O=C(CCCCC(=O)NCCO)NCCO",null,"OCCN=C(O)CCCCC(O)=NCCO","OCCN=C(O)CCCCC(O)=NCCO",null,"OCCN=C(O)CCCCC(O)=NCCO","OCCN=C(O)CCCCC(O)=NCCO"]
[3051,"1966-58-1","CNC(=O)OCc1ccc(Cl)c(Cl)c1","CNC(=O)OCc1cc(c(cc1)Cl)Cl",null,"CNC(=O)OCc1ccc(Cl)c(Cl)c1","CNC(=O)OCc1cc(c(cc1)Cl)Cl",null,"CNC(=O)OCc1ccc(Cl)c(Cl)c1","CNC(=O)OCc1cc(c(cc1)Cl)Cl",null,"CNC(=O)OCc1ccc(Cl)c(Cl)c1","CNC(=O)OCc1cc(c(cc1)Cl)Cl"]
[3052,"1967-16-4","C#CC(C)OC(=O)Nc1cccc(Cl)c1","C#CC(C)OC(=O)Nc1cc(ccc1)Cl",null,"C#CC(C)OC(=O)Nc1cccc(Cl)c1","C#CC(C)OC(=O)Nc1cc(ccc1)Cl",null,"C#CC(C)OC(=O)Nc1cccc(Cl)c1","C#CC(C)OC(=O)Nc1cc(ccc1)Cl",null,"C#CC(C)OC(=O)Nc1cccc(Cl)c1","C#CC(C)OC(=O)Nc1cc(ccc1)Cl"]
[3053,"1967-25-5",{"$nulls":3},"NC(=O)Nc1ccc(Br)cc1","NC(=O)Nc1ccc(cc1)Br",null,"NC(=O)Nc1ccc(Br)cc1","NC(=O)Nc1ccc(cc1)Br",null,"NC(=O)Nc1ccc(Br)cc1","NC(=O)Nc1ccc(cc1)Br"]
[3054,"1972-03-8",{"$nulls":3},"CC12CCC(C(=O)NC1=O)C2(C)C","CC12C(NC(C(CC1)C2(C)C)=O)=O"]
[3055,"1973-22-4","CCc1ccccc1Br","CCc1c(cccc1)Br",null,"CCc1ccccc1Br","CCc1c(cccc1)Br",null,"CCc1ccccc1Br","CCc1c(cccc1)Br",null,"CCc1ccccc1Br","CCc1c(cccc1)Br"]
[3056,"1982-47-4","CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1","CN(C)C(=O)Nc1ccc(cc1)Oc2ccc(cc2)Cl",null,"CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1","CN(C)C(=O)Nc1ccc(cc1)Oc2ccc(cc2)Cl",null,"CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1","CN(C)C(=O)Nc1ccc(cc1)Oc2ccc(cc2)Cl",null,"CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1","CN(C)C(=O)Nc1ccc(cc1)Oc2ccc(cc2)Cl"]
[3057,"1982-49-6","CC1CCCCC1NC(=O)Nc1ccccc1","CC1C(CCCC1)NC(=O)Nc2ccccc2",null,"CC1CCCCC1NC(=O)Nc1ccccc1","CC1C(CCCC1)NC(=O)Nc2ccccc2",null,"CC1CCCCC1NC(=O)Nc1ccccc1","CC1C(CCCC1)NC(=O)Nc2ccccc2",null,"CC1CCCCC1NC(=O)Nc1ccccc1","CC1C(CCCC1)NC(=O)Nc2ccccc2"]
[3058,"1983-10-4",{"$nulls":6},"CCCC[Sn](F)(CCCC)CCCC","CCCC[Sn](F)(CCCC)CCCC",null,"CCCC[Sn](F)(CCCC)CCCC","CCCC[Sn](F)(CCCC)CCCC"]
[3059,"1984-59-4","COc1cccc(Cl)c1Cl","COc1c(c(ccc1)Cl)Cl",null,"COc1cccc(Cl)c1Cl","COc1c(c(ccc1)Cl)Cl",null,"COc1cccc(Cl)c1Cl","COc1c(c(ccc1)Cl)Cl",null,"COc1cccc(Cl)c1Cl","COc1c(c(ccc1)Cl)Cl"]
[3060,"1984-65-2","COc1c(Cl)cccc1Cl","COc1c(cccc1Cl)Cl",null,"COc1c(Cl)cccc1Cl","COc1c(cccc1Cl)Cl",null,"COc1c(Cl)cccc1Cl","COc1c(cccc1Cl)Cl",null,"COc1c(Cl)cccc1Cl","COc1c(cccc1Cl)Cl"]
[3061,"2000-40-0","NC(=O)NC(O)C(Cl)(Cl)Cl","NC(=O)NC(O)C(Cl)(Cl)Cl",null,"NC(=O)NC(O)C(Cl)(Cl)Cl","NC(=O)NC(O)C(Cl)(Cl)Cl"]
[3062,"2001-33-4","NC(=O)C=Cc1ccccc1[N+](=O)[O-]","NC(=O)C=Cc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},"N=C(O)C=Cc1ccccc1[N+](=O)[O-]","N=C(O)C=Cc1c(cccc1)[N+](=O)[O-]",null,"N=C(O)C=Cc1ccccc1[N+](=O)[O-]","N=C(O)C=Cc1c(cccc1)[N+](=O)[O-]"]
[3063,"2004-03-7","Cc1[nH]cnc2ncnc1-2","Cc1c2-c(nc[nH]1)ncn2",null,"Cc1ncnc2nc[nH]c12","Cc1c2c(ncn1)nc[nH]2",null,"Cc1ncnc2nc[nH]c12","Cc1c2c(ncn1)nc[nH]2",null,"Cc1ncnc2nc[nH]c12","Cc1c2c(ncn1)nc[nH]2"]
[3064,"2008-41-5","CCSC(=O)N(CC(C)C)CC(C)C","CCSC(=O)N(CC(C)C)CC(C)C",null,"CCSC(=O)N(CC(C)C)CC(C)C","CCSC(=O)N(CC(C)C)CC(C)C",null,"CCSC(=O)N(CC(C)C)CC(C)C","CCSC(=O)N(CC(C)C)CC(C)C",null,"CCSC(=O)N(CC(C)C)CC(C)C","CCSC(=O)N(CC(C)C)CC(C)C"]
[3065,"2008-58-4","NC(=O)c1c(Cl)cccc1Cl","NC(=O)c1c(cccc1Cl)Cl",null,"NC(=O)c1c(Cl)cccc1Cl","NC(=O)c1c(cccc1Cl)Cl",null,"NC(=O)c1c(Cl)cccc1Cl","NC(=O)c1c(cccc1Cl)Cl",null,"NC(=O)c1c(Cl)cccc1Cl","NC(=O)c1c(cccc1Cl)Cl"]
[3066,"2010-15-3","O=C1CNC(=S)N1c1ccccc1","O=C1N(C(NC1)=S)c2ccccc2",null,"O=C1CNC(=S)N1c1ccccc1","O=C1N(C(NC1)=S)c2ccccc2",null,"O=C1CN=C(S)N1c1ccccc1","O=C1N(C(=NC1)S)c2ccccc2",null,"O=C1CN=C(S)N1c1ccccc1","O=C1N(C(=NC1)S)c2ccccc2"]
[3067,"2016-57-1","CCCCCCCCCCN","CCCCCCCCCCN",null,"CCCCCCCCCCN","CCCCCCCCCCN",null,"CCCCCCCCCCN","CCCCCCCCCCN",null,"CCCCCCCCCCN","CCCCCCCCCCN"]
[3068,"2021-28-5",{"$nulls":3},"CCOC(=O)CCc1ccccc1","CCOC(=O)CCc1ccccc1",null,"CCOC(=O)CCc1ccccc1","CCOC(=O)CCc1ccccc1",null,"CCOC(=O)CCc1ccccc1","CCOC(=O)CCc1ccccc1"]
[3069,"2022-85-7","Nc1[nH]c(=O)ncc1F","Nc1c(cnc([nH]1)=O)F",null,"Nc1[nH]c(=O)ncc1F","Nc1c(cnc([nH]1)=O)F",null,"Nc1nc(=O)[nH]cc1F","Nc1c(c[nH]c(n1)=O)F",null,"Nc1nc(=O)[nH]cc1F","Nc1c(c[nH]c(n1)=O)F"]
[3070,"2032-59-9","CNC(=O)Oc1ccc(N(C)C)c(C)c1","CNC(=O)Oc1cc(c(cc1)N(C)C)C",null,"CNC(=O)Oc1ccc(N(C)C)c(C)c1","CNC(=O)Oc1cc(c(cc1)N(C)C)C",null,"CNC(=O)Oc1ccc(N(C)C)c(C)c1","CNC(=O)Oc1cc(c(cc1)N(C)C)C",null,"CNC(=O)Oc1ccc(N(C)C)c(C)c1","CNC(=O)Oc1cc(c(cc1)N(C)C)C"]
[3071,"2032-65-7","CNC(=O)Oc1cc(C)c(SC)c(C)c1","CNC(=O)Oc1cc(c(c(c1)C)SC)C",null,"CNC(=O)Oc1cc(C)c(SC)c(C)c1","CNC(=O)Oc1cc(c(c(c1)C)SC)C",null,"CNC(=O)Oc1cc(C)c(SC)c(C)c1","CNC(=O)Oc1cc(c(c(c1)C)SC)C",null,"CNC(=O)Oc1cc(C)c(SC)c(C)c1","CNC(=O)Oc1cc(c(c(c1)C)SC)C"]
[3072,"2040-96-2","CCCC1CCCC1","CCCC1CCCC1",null,"CCCC1CCCC1","CCCC1CCCC1",null,"CCCC1CCCC1","CCCC1CCCC1",null,"CCCC1CCCC1","CCCC1CCCC1"]
[3073,"2043-43-8","CC(O)C(N)=O","CC(O)C(N)=O",null,"CC(O)C(N)=O","CC(O)C(N)=O"]
[3074,"2044-88-4","CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","CNc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,"CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","CNc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]"]
[3075,"2049-95-8","CCC(C)(C)c1ccccc1","CCC(C)(C)c1ccccc1",null,"CCC(C)(C)c1ccccc1","CCC(C)(C)c1ccccc1",null,"CCC(C)(C)c1ccccc1","CCC(C)(C)c1ccccc1",null,"CCC(C)(C)c1ccccc1","CCC(C)(C)c1ccccc1"]
[3076,"2050-20-6","CCOC(=O)CCCCCC(=O)OCC","CCOC(=O)CCCCCC(=O)OCC",null,"CCOC(=O)CCCCCC(=O)OCC","CCOC(=O)CCCCCC(=O)OCC",null,"CCOC(=O)CCCCCC(=O)OCC","CCOC(=O)CCCCCC(=O)OCC",null,"CCOC(=O)CCCCCC(=O)OCC","CCOC(=O)CCCCCC(=O)OCC"]
[3077,"2050-23-9","CCOC(=O)CCCCCCC(=O)OCC","CCOC(=O)CCCCCCC(=O)OCC",null,"CCOC(=O)CCCCCCC(=O)OCC","CCOC(=O)CCCCCCC(=O)OCC",null,"CCOC(=O)CCCCCCC(=O)OCC","CCOC(=O)CCCCCCC(=O)OCC",null,"CCOC(=O)CCCCCCC(=O)OCC","CCOC(=O)CCCCCCC(=O)OCC"]
[3078,"2050-67-1","Clc1cccc(-c2cccc(Cl)c2)c1","Clc1cc(ccc1)-c2cc(ccc2)Cl",null,"Clc1cccc(-c2cccc(Cl)c2)c1","Clc1cc(ccc1)-c2cc(ccc2)Cl",null,"Clc1cccc(-c2cccc(Cl)c2)c1","Clc1cc(ccc1)-c2cc(ccc2)Cl",null,"Clc1cccc(-c2cccc(Cl)c2)c1","Clc1cc(ccc1)-c2cc(ccc2)Cl"]
[3079,"2050-68-2","Clc1ccc(-c2ccc(Cl)cc2)cc1","Clc1ccc(cc1)-c2ccc(cc2)Cl",null,"Clc1ccc(-c2ccc(Cl)cc2)cc1","Clc1ccc(cc1)-c2ccc(cc2)Cl",null,"Clc1ccc(-c2ccc(Cl)cc2)cc1","Clc1ccc(cc1)-c2ccc(cc2)Cl",null,"Clc1ccc(-c2ccc(Cl)cc2)cc1","Clc1ccc(cc1)-c2ccc(cc2)Cl"]
[3080,"2050-69-3","Clc1ccc2ccccc2c1Cl","Clc1c(c2c(cc1)cccc2)Cl",null,"Clc1ccc2ccccc2c1Cl","Clc1c(c2c(cc1)cccc2)Cl",null,"Clc1ccc2ccccc2c1Cl","Clc1c(c2c(cc1)cccc2)Cl",null,"Clc1ccc2ccccc2c1Cl","Clc1c(c2c(cc1)cccc2)Cl"]
[3081,"2050-74-0","Clc1cccc2cccc(Cl)c12","Clc1c2c(ccc1)cccc2Cl",null,"Clc1cccc2cccc(Cl)c12","Clc1c2c(ccc1)cccc2Cl",null,"Clc1cccc2cccc(Cl)c12","Clc1c2c(ccc1)cccc2Cl",null,"Clc1cccc2cccc(Cl)c12","Clc1c2c(ccc1)cccc2Cl"]
[3082,"2050-75-1","Clc1cc2ccccc2cc1Cl","Clc1c(cc2c(c1)cccc2)Cl",null,"Clc1cc2ccccc2cc1Cl","Clc1c(cc2c(c1)cccc2)Cl",null,"Clc1cc2ccccc2cc1Cl","Clc1c(cc2c(c1)cccc2)Cl",null,"Clc1cc2ccccc2cc1Cl","Clc1c(cc2c(c1)cccc2)Cl"]
[3083,"2051-24-3","Clc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl"]
[3084,"2051-60-7","Clc1ccccc1-c1ccccc1","Clc1c(cccc1)-c2ccccc2",null,"Clc1ccccc1-c1ccccc1","Clc1c(cccc1)-c2ccccc2",null,"Clc1ccccc1-c1ccccc1","Clc1c(cccc1)-c2ccccc2",null,"Clc1ccccc1-c1ccccc1","Clc1c(cccc1)-c2ccccc2"]
[3085,"2051-61-8","Clc1cccc(-c2ccccc2)c1","Clc1cc(ccc1)-c2ccccc2",null,"Clc1cccc(-c2ccccc2)c1","Clc1cc(ccc1)-c2ccccc2",null,"Clc1cccc(-c2ccccc2)c1","Clc1cc(ccc1)-c2ccccc2",null,"Clc1cccc(-c2ccccc2)c1","Clc1cc(ccc1)-c2ccccc2"]
[3086,"2051-62-9","Clc1ccc(-c2ccccc2)cc1","Clc1ccc(cc1)-c2ccccc2",null,"Clc1ccc(-c2ccccc2)cc1","Clc1ccc(cc1)-c2ccccc2",null,"Clc1ccc(-c2ccccc2)cc1","Clc1ccc(cc1)-c2ccccc2",null,"Clc1ccc(-c2ccccc2)cc1","Clc1ccc(cc1)-c2ccccc2"]
[3087,"2051-85-6","Oc1ccc(N=Nc2ccccc2)c(O)c1","Oc1cc(c(cc1)N=Nc2ccccc2)O",null,"O=C1C=CC(=NNc2ccccc2)C(O)=C1","O=C1C=C(C(C=C1)=NNc2ccccc2)O",null,"Oc1ccc(N=Nc2ccccc2)c(O)c1","Oc1cc(c(cc1)N=Nc2ccccc2)O",null,"Oc1ccc(N=Nc2ccccc2)c(O)c1","Oc1cc(c(cc1)N=Nc2ccccc2)O"]
[3088,"2065-70-5","Clc1ccc2cc(Cl)ccc2c1","Clc1cc2c(cc1)cc(Cl)cc2",null,"Clc1ccc2cc(Cl)ccc2c1","Clc1cc2c(cc1)cc(Cl)cc2",null,"Clc1ccc2cc(Cl)ccc2c1","Clc1cc2c(cc1)cc(Cl)cc2",null,"Clc1ccc2cc(Cl)ccc2c1","Clc1cc2c(cc1)cc(Cl)cc2"]
[3089,"2076-53-1","COC(C)C(N)C(=O)O","COC(C)C(N)C(=O)O"]
[3090,"2076-57-5","COC(C)C(N)C(=O)O","COC(C)C(N)C(=O)O"]
[3091,"2081-32-5","CC(C)CC(c1ccc(O)cc1)c1ccc(O)cc1","CC(C)CC(c1ccc(cc1)O)c2ccc(cc2)O",{"$nulls":4},"CC(C)CC(c1ccc(O)cc1)c1ccc(O)cc1","CC(C)CC(c1ccc(cc1)O)c2ccc(cc2)O",null,"CC(C)CC(c1ccc(O)cc1)c1ccc(O)cc1","CC(C)CC(c1ccc(cc1)O)c2ccc(cc2)O"]
[3092,"2084-13-1","O=C(O)Cc1cccc(C(=O)O)c1","O=C(O)Cc1cc(ccc1)C(=O)O",null,"O=C(O)Cc1cccc(C(=O)O)c1","O=C(O)Cc1cc(ccc1)C(=O)O",{"$nulls":4},"O=C(O)Cc1cccc(C(=O)O)c1","O=C(O)Cc1cc(ccc1)C(=O)O"]
[3093,"2085-15-6","CCCCC(CC)(C(=O)O)C(=O)O","CCCCC(CC)(C(=O)O)C(=O)O",{"$nulls":7},"CCCCC(CC)(C(=O)O)C(=O)O","CCCCC(CC)(C(=O)O)C(=O)O"]
[3094,"2103-16-4","CC(C(=O)O)C(C)(C)C(=O)O","CC(C(=O)O)C(C)(C)C(=O)O",null,"CC(C(=O)O)C(C)(C)C(=O)O","CC(C(=O)O)C(C)(C)C(=O)O"]
[3095,"2103-31-3","CCC(C(=O)O)C(C)(C)C(=O)O","CCC(C(=O)O)C(C)(C)C(=O)O"]
[3096,"2104-64-5","CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1","CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2",null,"CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1","CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2",null,"CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1","CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2",null,"CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1","CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2"]
[3097,"2104-96-3","COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Br)Cl",null,"COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Br)Cl",null,"COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Br)Cl",null,"COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Br)Cl"]
[3098,"2107-75-7","Cc1cc(=O)oc2c1ccc1ccccc12","Cc1c2c(oc(c1)=O)c3c(cc2)cccc3"]
[3099,"2121-67-7","CC(CC(C)C(=O)O)C(=O)O","CC(CC(C)C(=O)O)C(=O)O",null,"CC(CC(C)C(=O)[O-])C(=O)[O-]","CC(CC(C)C(=O)O)C(=O)O",null,"CC(CC(C)C(=O)O)C(=O)O","CC(CC(C)C(=O)O)C(=O)O",null,"CC(CC(C)C(=O)O)C(=O)O","CC(CC(C)C(=O)O)C(=O)O"]
[3100,"2127-01-7","NS(=O)(=O)c1cc2c(cc1Cl)CN(C1CCCCC1)C2=O","NS(=O)(=O)c1c(cc2c(c1)C(N(C2)C3CCCCC3)=O)Cl",null,"NS(=O)(=O)c1cc2c(cc1Cl)CN(C1CCCCC1)C2=O","NS(=O)(=O)c1c(cc2c(c1)C(N(C2)C3CCCCC3)=O)Cl",{"$nulls":4},"NS(=O)(=O)c1cc2c(cc1Cl)CN(C1CCCCC1)C2=O","NS(=O)(=O)c1c(cc2c(c1)C(N(C2)C3CCCCC3)=O)Cl"]
[3101,"2131-41-1","Cc1ccc(C)c2c(C)cccc12","Cc1c2c(c(cc1)C)c(C)ccc2",null,"Cc1ccc(C)c2c(C)cccc12","Cc1c2c(c(cc1)C)c(C)ccc2",null,"Cc1ccc(C)c2c(C)cccc12","Cc1c2c(c(cc1)C)c(C)ccc2",null,"Cc1ccc(C)c2c(C)cccc12","Cc1c2c(c(cc1)C)c(C)ccc2"]
[3102,"2131-59-1","S=C=Nc1cccc(Br)c1","S=C=Nc1cc(ccc1)Br",null,"S=C=Nc1cccc(Br)c1","S=C=Nc1cc(ccc1)Br",null,"S=C=Nc1cccc(Br)c1","S=C=Nc1cc(ccc1)Br",null,"S=C=Nc1cccc(Br)c1","S=C=Nc1cc(ccc1)Br"]
[3103,"2135-17-3","CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",null,"CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",null,"CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",null,"CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO"]
[3104,"2136-99-4","Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl"]
[3105,"2138-20-7","Oc1ccc(C2CCCCC2)c(O)c1","Oc1cc(c(cc1)C2CCCCC2)O",null,"Oc1ccc(C2CCCCC2)c(O)c1","Oc1cc(c(cc1)C2CCCCC2)O",null,"Oc1ccc(C2CCCCC2)c(O)c1","Oc1cc(c(cc1)C2CCCCC2)O",null,"Oc1ccc(C2CCCCC2)c(O)c1","Oc1cc(c(cc1)C2CCCCC2)O"]
[3106,"2152-44-5",{"$nulls":3},"CCCCC(=O)OC1(C(=O)CO)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CCCCC(=O)OC1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)C(=O)CO",{"$nulls":4},"CCCCC(=O)OC1(C(=O)CO)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CCCCC(=O)OC1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)C(=O)CO"]
[3107,"2157-19-9","OCC1C(CO)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl","OCC1C2(C(=C(C(C1CO)(C2(Cl)Cl)Cl)Cl)Cl)Cl",null,"OCC1C(CO)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl","OCC1C2(C(=C(C(C1CO)(C2(Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},"OCC1C(CO)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl","OCC1C2(C(=C(C(C1CO)(C2(Cl)Cl)Cl)Cl)Cl)Cl"]
[3108,"2157-39-3","O=C(O)c1cc(Cl)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)Cl)C(=O)O",null,"O=C(O)c1cc(Cl)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)Cl)C(=O)O",null,"O=C(O)c1cc(Cl)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)Cl)C(=O)O",null,"O=C(O)c1cc(Cl)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)Cl)C(=O)O"]
[3109,"2159-40-2","O=C(O)c1ccccc1C(=O)c1ccc(Br)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Br",null,"O=C(O)c1ccccc1C(=O)c1ccc(Br)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Br",null,"O=C(O)c1ccccc1C(=O)c1ccc(Br)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Br",null,"O=C(O)c1ccccc1C(=O)c1ccc(Br)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Br"]
[3110,"2163-68-0","CCNc1nc(O)nc(NC(C)C)n1","CCNc1nc(nc(n1)O)NC(C)C",null,"CCNc1nc(=O)nc(NC(C)C)[nH]1","CCNc1[nH]c(nc(n1)=O)NC(C)C",{"$nulls":4},"CCNc1nc(O)nc(NC(C)C)n1","CCNc1nc(nc(n1)O)NC(C)C"]
[3111,"2163-69-1","CN(C)C(=O)NC1CCCCCCC1","CN(C)C(=O)NC1CCCCCCC1",null,"CN(C)C(=O)NC1CCCCCCC1","CN(C)C(=O)NC1CCCCCCC1",null,"CN(C)C(=O)NC1CCCCCCC1","CN(C)C(=O)NC1CCCCCCC1",null,"CN(C)C(=O)NC1CCCCCCC1","CN(C)C(=O)NC1CCCCCCC1"]
[3112,"2163-80-6","C[As](=O)([O-])O","C[As](=O)(O)O","[Na+](1)","C[As](=O)([O-])O","C[As](=O)(O)O","[Na+](1)","C[As](=O)([O-])O","C[As](=O)(O)O","[Na+](1)","C[As](=O)([O-])O","C[As](=O)(O)O","[Na+](1)"]
[3113,"2164-08-1","O=c1[nH]c2c(c(=O)n1C1CCCCC1)CCC2","O=c1n(c(c2c([nH]1)CCC2)=O)C3CCCCC3",null,"O=c1[nH]c2c(c(=O)n1C1CCCCC1)CCC2","O=c1n(c(c2c([nH]1)CCC2)=O)C3CCCCC3",null,"O=c1[nH]c2c(c(=O)n1C1CCCCC1)CCC2","O=c1n(c(c2c([nH]1)CCC2)=O)C3CCCCC3",null,"O=c1[nH]c2c(c(=O)n1C1CCCCC1)CCC2","O=c1n(c(c2c([nH]1)CCC2)=O)C3CCCCC3"]
[3114,"2164-09-2","C=C(C)C(=O)Nc1ccc(Cl)c(Cl)c1","C=C(C)C(=O)Nc1cc(c(cc1)Cl)Cl",null,"C=C(C)C(=O)Nc1ccc(Cl)c(Cl)c1","C=C(C)C(=O)Nc1cc(c(cc1)Cl)Cl",null,"C=C(C)C(=O)Nc1ccc(Cl)c(Cl)c1","C=C(C)C(=O)Nc1cc(c(cc1)Cl)Cl",null,"C=C(C)C(=O)Nc1ccc(Cl)c(Cl)c1","C=C(C)C(=O)Nc1cc(c(cc1)Cl)Cl"]
[3115,"2164-13-8","BCPC","BCPC","BCPC(1)","CCC(C)OC(=O)Nc1cccc(Cl)c1","CCC(C)OC(=O)Nc1cc(ccc1)Cl","BCPC(1)","CCC(C)OC(=O)Nc1cccc(Cl)c1","CCC(C)OC(=O)Nc1cc(ccc1)Cl","BCPC(1)","CCC(C)OC(=O)Nc1cccc(Cl)c1","CCC(C)OC(=O)Nc1cc(ccc1)Cl","BCPC(1)",null,"Organic counterion"]
[3116,"2164-17-2","CN(C)C(=O)Nc1cccc(C(F)(F)F)c1","CN(C)C(=O)Nc1cc(ccc1)C(F)(F)F",null,"CN(C)C(=O)Nc1cccc(C(F)(F)F)c1","CN(C)C(=O)Nc1cc(ccc1)C(F)(F)F",null,"CN(C)C(=O)Nc1cccc(C(F)(F)F)c1","CN(C)C(=O)Nc1cc(ccc1)C(F)(F)F",null,"CN(C)C(=O)Nc1cccc(C(F)(F)F)c1","CN(C)C(=O)Nc1cc(ccc1)C(F)(F)F"]
[3117,"2168-88-9","O=C(O)CC[Se]CCC(=O)O","O=C(O)CC[Se]CCC(=O)O"]
[3118,"2173-57-1","CC(C)COc1ccc2ccccc2c1","CC(C)COc1cc2c(cc1)cccc2",null,"CC(C)COc1ccc2ccccc2c1","CC(C)COc1cc2c(cc1)cccc2",null,"CC(C)COc1ccc2ccccc2c1","CC(C)COc1cc2c(cc1)cccc2",null,"CC(C)COc1ccc2ccccc2c1","CC(C)COc1cc2c(cc1)cccc2"]
[3119,"2180-92-9","CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C","CCCCN1C(CCCC1)C(=O)Nc2c(cccc2C)C",null,"CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C","CCCCN1C(CCCC1)C(=O)Nc2c(cccc2C)C",null,"CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C","CCCCN1C(CCCC1)C(=O)Nc2c(cccc2C)C",null,"CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C","CCCCN1C(CCCC1)C(=O)Nc2c(cccc2C)C"]
[3120,"2181-22-8",{"$nulls":3},"CC1(C)CC(=O)C(CC2C(=O)CC(C)(C)CC2=O)C(=O)C1","CC1(CC(C(C(C1)=O)CC2C(CC(CC2=O)(C)C)=O)=O)C"]
[3121,"2189-60-8","CCCCCCCCc1ccccc1","CCCCCCCCc1ccccc1",null,"CCCCCCCCc1ccccc1","CCCCCCCCc1ccccc1",null,"CCCCCCCCc1ccccc1","CCCCCCCCc1ccccc1",null,"CCCCCCCCc1ccccc1","CCCCCCCCc1ccccc1"]
[3122,"2198-77-8","Clc1ccc2ccc(Cl)cc2c1","Clc1cc2c(cc1)ccc(Cl)c2",null,"Clc1ccc2ccc(Cl)cc2c1","Clc1cc2c(cc1)ccc(Cl)c2",null,"Clc1ccc2ccc(Cl)cc2c1","Clc1cc2c(cc1)ccc(Cl)c2",null,"Clc1ccc2ccc(Cl)cc2c1","Clc1cc2c(cc1)ccc(Cl)c2"]
[3123,"2199-44-2",{"$nulls":3},"CCOC(=O)c1[nH]c(C)cc1C","CCOC(=O)c1c(cc([nH]1)C)C",{"$nulls":4},"CCOC(=O)c1[nH]c(C)cc1C","CCOC(=O)c1c(cc([nH]1)C)C"]
[3124,"2206-43-1","COc1ccc(C(=O)O)cc1C(=O)O","COc1c(cc(cc1)C(=O)O)C(=O)O",null,"COc1ccc(C(=O)O)cc1C(=O)O","COc1c(cc(cc1)C(=O)O)C(=O)O",null,"COc1ccc(C(=O)O)cc1C(=O)O","COc1c(cc(cc1)C(=O)O)C(=O)O",null,"COc1ccc(C(=O)O)cc1C(=O)O","COc1c(cc(cc1)C(=O)O)C(=O)O"]
[3125,"2207-01-4","CC1CCCCC1C","CC1C(CCCC1)C",null,"CC1CCCCC1C","CC1C(CCCC1)C",null,"CC1CCCCC1C","CC1C(CCCC1)C",null,"CC1CCCCC1C","CC1C(CCCC1)C"]
[3126,"2207-04-7","CC1CCC(C)CC1","CC1CCC(CC1)C",null,"CC1CCC(C)CC1","CC1CCC(CC1)C"]
[3127,"2211-67-8",{"$nulls":3},"CC(Cl)C(C)Cl","CC(Cl)C(C)Cl"]
[3128,"2212-67-1","CCSC(=O)N1CCCCCC1","CCSC(=O)N1CCCCCC1",null,"CCSC(=O)N1CCCCCC1","CCSC(=O)N1CCCCCC1",null,"CCSC(=O)N1CCCCCC1","CCSC(=O)N1CCCCCC1",null,"CCSC(=O)N1CCCCCC1","CCSC(=O)N1CCCCCC1"]
[3129,"2216-13-9","O=C(O)c1cccc2cccc([N+](=O)[O-])c12","O=C(O)c1c2c(ccc1)cccc2[N+](=O)[O-]",null,"O=C(O)c1cccc2cccc([N+](=O)[O-])c12","O=C(O)c1c2c(ccc1)cccc2[N+](=O)[O-]",null,"O=C(O)c1cccc2cccc([N+](=O)[O-])c12","O=C(O)c1c2c(ccc1)cccc2[N+](=O)[O-]",null,"O=C(O)c1cccc2cccc([N+](=O)[O-])c12","O=C(O)c1c2c(ccc1)cccc2[N+](=O)[O-]"]
[3130,"2216-34-4","CCCCC(C)CCC","CCCCC(C)CCC",null,"CCCCC(C)CCC","CCCCC(C)CCC",null,"CCCCC(C)CCC","CCCCC(C)CCC",null,"CCCCC(C)CCC","CCCCC(C)CCC"]
[3131,"2216-51-5",{"$nulls":3},"CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O",null,"CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O",null,"CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O"]
[3132,"2216-69-5","COc1cccc2ccccc12","COc1c2c(ccc1)cccc2",null,"COc1cccc2ccccc12","COc1c2c(ccc1)cccc2",null,"COc1cccc2ccccc12","COc1c2c(ccc1)cccc2",null,"COc1cccc2ccccc12","COc1c2c(ccc1)cccc2"]
[3133,"2217-02-9",{"$nulls":3},"CC12CCC(C1)C(C)(C)C2O","CC12CC(CC1)C(C)(C)C2O",{"$nulls":4},"CC12CCC(C1)C(C)(C)C2O","CC12CC(CC1)C(C)(C)C2O"]
[3134,"2217-08-5",{"$nulls":3},"CCCC1(CCC)C(=O)NC(=O)NC1=O","CCCC1(C(NC(NC1=O)=O)=O)CCC",{"$nulls":4},"CCCC1(CCC)C(=O)NC(=O)NC1=O","CCCC1(C(NC(NC1=O)=O)=O)CCC"]
[3135,"2217-32-5","O=C(O)c1ccccc1","O=C(O)c1ccccc1","OCC1CCCO1(1)","O=C(OCC1CCCO1)c1ccccc1","O=C(OCC1OCCC1)c2ccccc2"]
[3136,"2217-59-6","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC",null,"CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC",null,"CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC",null,"CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC"]
[3137,"2227-13-6","Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1","Clc1ccc(cc1)Sc2c(cc(c(c2)Cl)Cl)Cl",null,"Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1","Clc1ccc(cc1)Sc2c(cc(c(c2)Cl)Cl)Cl",null,"Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1","Clc1ccc(cc1)Sc2c(cc(c(c2)Cl)Cl)Cl",null,"Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1","Clc1ccc(cc1)Sc2c(cc(c(c2)Cl)Cl)Cl"]
[3138,"2227-17-0","ClC1=C(Cl)C(Cl)(C2(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl)C(Cl)=C1Cl","ClC=1C(=C(C(C1Cl)(Cl)C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"ClC1=C(Cl)C(Cl)(C2(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl)C(Cl)=C1Cl","ClC=1C(=C(C(C1Cl)(Cl)C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"ClC1=C(Cl)C(Cl)(C2(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl)C(Cl)=C1Cl","ClC=1C(=C(C(C1Cl)(Cl)C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"ClC1=C(Cl)C(Cl)(C2(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl)C(Cl)=C1Cl","ClC=1C(=C(C(C1Cl)(Cl)C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl"]
[3139,"2229-00-7","ON=C1C=CCCC1","ON=C1CCCC=C1",{"$nulls":4},"ON=C1C=CCCC1","ON=C1CCCC=C1",null,"ON=C1C=CCCC1","ON=C1CCCC=C1"]
[3140,"2234-13-1","Clc1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl","Clc1c(c2c(c(c1Cl)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl",null,"Clc1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl","Clc1c(c2c(c(c1Cl)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl",null,"Clc1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl","Clc1c(c2c(c(c1Cl)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl",null,"Clc1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl","Clc1c(c2c(c(c1Cl)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl"]
[3141,"2235-90-7","CCC(N)Cc1c[nH]c2ccccc12","CCC(N)Cc1c2c([nH]c1)cccc2",null,"CCC(N)Cc1c[nH]c2ccccc12","CCC(N)Cc1c2c([nH]c1)cccc2","CC(O)=O(1)",{"$nulls":3},"CCC(N)Cc1c[nH]c2ccccc12","CCC(N)Cc1c2c([nH]c1)cccc2"]
[3142,"2237-30-1","N#Cc1cccc(N)c1","N#Cc1cc(ccc1)N",null,"N#Cc1cccc(N)c1","N#Cc1cc(ccc1)N",null,"N#Cc1cccc(N)c1","N#Cc1cc(ccc1)N",null,"N#Cc1cccc(N)c1","N#Cc1cc(ccc1)N"]
[3143,"2243-27-8","CCCCCCCCC#N","CCCCCCCCC#N",null,"CCCCCCCCC#N","CCCCCCCCC#N",null,"CCCCCCCCC#N","CCCCCCCCC#N",null,"CCCCCCCCC#N","CCCCCCCCC#N"]
[3144,"2243-62-1","Nc1cccc2c(N)cccc12","Nc1c2c(ccc1)c(N)ccc2",null,"Nc1cccc2c(N)cccc12","Nc1c2c(ccc1)c(N)ccc2",null,"Nc1cccc2c(N)cccc12","Nc1c2c(ccc1)c(N)ccc2",null,"Nc1cccc2c(N)cccc12","Nc1c2c(ccc1)c(N)ccc2"]
[3145,"2243-95-0","O=[N+]([O-])c1ccc([N+](=O)[O-])c2c([N+](=O)[O-])cccc12","O=[N+]([O-])c1c2c(c(cc1)[N+](=O)[O-])c([N+](=O)[O-])ccc2",null,"O=[N+]([O-])c1ccc([N+](=O)[O-])c2c([N+](=O)[O-])cccc12","O=[N+]([O-])c1c2c(c(cc1)[N+](=O)[O-])c([N+](=O)[O-])ccc2",null,"O=[N+]([O-])c1ccc([N+](=O)[O-])c2c([N+](=O)[O-])cccc12","O=[N+]([O-])c1c2c(c(cc1)[N+](=O)[O-])c([N+](=O)[O-])ccc2",null,"O=[N+]([O-])c1ccc([N+](=O)[O-])c2c([N+](=O)[O-])cccc12","O=[N+]([O-])c1c2c(c(cc1)[N+](=O)[O-])c([N+](=O)[O-])ccc2"]
[3146,"2244-16-8",{"$nulls":3},"C=C(C)C1CC=C(C)C(=O)C1","C=C(C)C1CC(C(=CC1)C)=O",null,"C=C(C)C1CC=C(C)C(=O)C1","C=C(C)C1CC(C(=CC1)C)=O",null,"C=C(C)C1CC=C(C)C(=O)C1","C=C(C)C1CC(C(=CC1)C)=O"]
[3147,"2257-09-2","CCc1ccccc1N=C=S","CCc1c(cccc1)N=C=S",null,"S=C=NCCc1ccccc1","S=C=NCCc1ccccc1",{"$nulls":4},"S=C=NCCc1ccccc1","S=C=NCCc1ccccc1"]
[3148,"2257-35-4","O=C(O)C(Cl)=C(Cl)Cl","O=C(O)C(Cl)=C(Cl)Cl",null,"O=C([O-])C(Cl)=C(Cl)Cl","O=C(O)C(Cl)=C(Cl)Cl",null,"O=C(O)C(Cl)=C(Cl)Cl","O=C(O)C(Cl)=C(Cl)Cl",null,"O=C(O)C(Cl)=C(Cl)Cl","O=C(O)C(Cl)=C(Cl)Cl"]
[3149,"2268-12-4","FC(F)(F)c1nc2c[nH]cnc-2n1","FC(F)(F)c1nc2-c(n1)c[nH]cn2",null,"FC(F)(F)c1nc2ncncc2[nH]1","FC(F)(F)c1[nH]c2c(n1)ncnc2",{"$nulls":4},"FC(F)(F)c1nc2ncncc2[nH]1","FC(F)(F)c1[nH]c2c(n1)ncnc2"]
[3150,"2270-20-4","O=C(O)CCCCc1ccccc1","O=C(O)CCCCc1ccccc1",null,"O=C(O)CCCCc1ccccc1","O=C(O)CCCCc1ccccc1",null,"O=C(O)CCCCc1ccccc1","O=C(O)CCCCc1ccccc1",null,"O=C(O)CCCCc1ccccc1","O=C(O)CCCCc1ccccc1"]
[3151,"2273-93-0","Cn1cnc2nc(Cl)nc(Cl)c21","Cn1c2c(nc1)nc(Cl)nc2Cl",null,"Cn1cnc2nc(Cl)nc(Cl)c21","Cn1c2c(nc1)nc(Cl)nc2Cl",null,"Cn1cnc2nc(Cl)nc(Cl)c21","Cn1c2c(nc1)nc(Cl)nc2Cl",null,"Cn1cnc2nc(Cl)nc(Cl)c21","Cn1c2c(nc1)nc(Cl)nc2Cl"]
[3152,"2274-67-1",{"$nulls":3},"COP(=O)(OC)OC(=CCl)c1ccc(Cl)cc1Cl","COP(=O)(OC)OC(=CCl)c1c(cc(cc1)Cl)Cl",{"$nulls":4},"COP(=O)(OC)OC(=CCl)c1ccc(Cl)cc1Cl","COP(=O)(OC)OC(=CCl)c1c(cc(cc1)Cl)Cl"]
[3153,"2275-18-5","CCOP(=S)(OCC)SCC(=O)NC(C)C","CCOP(=S)(OCC)SCC(=O)NC(C)C",null,"CCOP(=S)(OCC)SCC(=O)NC(C)C","CCOP(=S)(OCC)SCC(=O)NC(C)C",null,"CCOP(=S)(OCC)SCC(=O)NC(C)C","CCOP(=S)(OCC)SCC(=O)NC(C)C",null,"CCOP(=S)(OCC)SCC(=O)NC(C)C","CCOP(=S)(OCC)SCC(=O)NC(C)C"]
[3154,"2275-23-2","CNC(=O)C(C)SCCSP(=O)(OC)OC","CNC(=O)C(C)SCCSP(=O)(OC)OC",null,"CNC(=O)CCSCCSP(=O)(OC)OC","CNC(=O)CCSCCSP(=O)(OC)OC",null,"CNC(=O)C(C)SCCSP(=O)(OC)OC","CNC(=O)C(C)SCCSP(=O)(OC)OC",null,"CNC(=O)C(C)SCCSP(=O)(OC)OC","CNC(=O)C(C)SCCSP(=O)(OC)OC"]
[3155,"2276-96-2","CCc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","CCc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N"]
[3156,"2279-63-2","CC[Hg]C#N","CC[Hg]C#N",null,"CC[Hg]C#N","CC[Hg]C#N",{"$nulls":4},"CC[Hg]C#N","CC[Hg]C#N"]
[3157,"2283-08-1","O=C(O)c1c(O)ccc2ccccc12","O=C(O)c1c2c(ccc1O)cccc2",null,"O=C(O)c1c(O)ccc2ccccc12","O=C(O)c1c2c(ccc1O)cccc2",null,"O=C(O)c1c(O)ccc2ccccc12","O=C(O)c1c2c(ccc1O)cccc2",null,"O=C(O)c1c(O)ccc2ccccc12","O=C(O)c1c2c(ccc1O)cccc2"]
[3158,"2289-03-4","O=C(O)c1cc2ccccc2c(=O)o1","O=C(O)c1oc(c2c(c1)cccc2)=O",null,"O=C(O)c1cc2ccccc2c(=O)o1","O=C(O)c1oc(c2c(c1)cccc2)=O",null,"O=C(O)c1cc2ccccc2c(=O)o1","O=C(O)c1oc(c2c(c1)cccc2)=O",null,"O=C(O)c1cc2ccccc2c(=O)o1","O=C(O)c1oc(c2c(c1)cccc2)=O"]
[3159,"2303-16-4","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C",null,"CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C",null,"CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C",null,"CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C"]
[3160,"2303-17-5","CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C","CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C",null,"CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C","CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C",null,"CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C","CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C",null,"CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C","CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C"]
[3161,"2303-25-5",{"$nulls":3},"Cc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1","Cc1cc(ccc1)Oc2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},"Cc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1","Cc1cc(ccc1)Oc2ccc(cc2)[N+](=O)[O-]"]
[3162,"2305-32-0","O=C(O)C1CCCCC1C(=O)O","O=C(O)C1C(CCCC1)C(=O)O",null,"O=C(O)C1CCCCC1C(=O)O","O=C(O)C1C(CCCC1)C(=O)O",null,"O=C(O)C1CCCCC1C(=O)O","O=C(O)C1C(CCCC1)C(=O)O",null,"O=C(O)C1CCCCC1C(=O)O","O=C(O)C1C(CCCC1)C(=O)O"]
[3163,"2307-68-8","CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1","CCCC(C)C(=O)Nc1cc(c(cc1)C)Cl",null,"CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1","CCCC(C)C(=O)Nc1cc(c(cc1)C)Cl",null,"CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1","CCCC(C)C(=O)Nc1cc(c(cc1)C)Cl",null,"CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1","CCCC(C)C(=O)Nc1cc(c(cc1)C)Cl"]
[3164,"2308-57-8","O=c1[nH]cc2ncnc-2[nH]1","O=c1[nH]c2-c(c[nH]1)ncn2",null,"O=c1ncc2[nH]cnc2[nH]1","O=c1[nH]c2c(cn1)[nH]cn2",null,"O=c1ncc2[nH]cnc2[nH]1","O=c1[nH]c2c(cn1)[nH]cn2",null,"O=c1ncc2[nH]cnc2[nH]1","O=c1[nH]c2c(cn1)[nH]cn2"]
[3165,"2309-49-1",{"$nulls":3},"Cn1c(=O)c2c(n(C)c1=O)n(C)c(=O)n2C","Cn1c(n(c2c(c1=O)n(c(n2C)=O)C)C)=O",{"$nulls":4},"Cn1c(=O)c2c(n(C)c1=O)n(C)c(=O)n2C","Cn1c(n(c2c(c1=O)n(c(n2C)=O)C)C)=O"]
[3166,"2310-17-0","CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2",null,"CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2",null,"CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2",null,"CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2"]
[3167,"2312-35-8","C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1","C#CCOS(=O)OC1C(CCCC1)Oc2ccc(cc2)C(C)(C)C",null,"C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1","C#CCOS(=O)OC1C(CCCC1)Oc2ccc(cc2)C(C)(C)C",null,"C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1","C#CCOS(=O)OC1C(CCCC1)Oc2ccc(cc2)C(C)(C)C",null,"C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1","C#CCOS(=O)OC1C(CCCC1)Oc2ccc(cc2)C(C)(C)C"]
[3168,"2314-09-2","CCCCOC(=O)C1(O)c2ccccc2-c2ccccc21","CCCCOC(=O)C1(c2c(-c3c1cccc3)cccc2)O",null,"CCCCOC(=O)C1(O)c2ccccc2-c2ccccc21","CCCCOC(=O)C1(c2c(-c3c1cccc3)cccc2)O",null,"CCCCOC(=O)C1(O)c2ccccc2-c2ccccc21","CCCCOC(=O)C1(c2c(-c3c1cccc3)cccc2)O",null,"CCCCOC(=O)C1(O)c2ccccc2-c2ccccc21","CCCCOC(=O)C1(c2c(-c3c1cccc3)cccc2)O"]
[3169,"2315-36-8","CCN(CC)C(=O)CCl","CCN(CC)C(=O)CCl",null,"CCN(CC)C(=O)CCl","CCN(CC)C(=O)CCl",{"$nulls":4},"CCN(CC)C(=O)CCl","CCN(CC)C(=O)CCl"]
[3170,"2315-68-6","CCCOC(=O)c1ccccc1","CCCOC(=O)c1ccccc1",null,"CCCOC(=O)c1ccccc1","CCCOC(=O)c1ccccc1",null,"CCCOC(=O)c1ccccc1","CCCOC(=O)c1ccccc1",null,"CCCOC(=O)c1ccccc1","CCCOC(=O)c1ccccc1"]
[3171,"2316-64-5","OCc1cc(Br)ccc1O","OCc1c(ccc(c1)Br)O",null,"OCc1cc(Br)ccc1O","OCc1c(ccc(c1)Br)O",null,"OCc1cc(Br)ccc1O","OCc1c(ccc(c1)Br)O",null,"OCc1cc(Br)ccc1O","OCc1c(ccc(c1)Br)O"]
[3172,"2338-45-6","CC(C)C(CC(=O)O)C(=O)O","CC(C)C(CC(=O)O)C(=O)O",null,"CC(C)C(CC(=O)O)C(=O)O","CC(C)C(CC(=O)O)C(=O)O",{"$nulls":4},"CC(C)C(CC(=O)O)C(=O)O","CC(C)C(CC(=O)O)C(=O)O"]
[3173,"2350-32-5","CCCCOc1ccc(C(=O)OCCN(CC)CC)cc1","CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC",null,"CCCCOc1ccc(C(=O)OCCN(CC)CC)cc1","CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC","[Cl-](1), [H+](1)",{"$nulls":3},"CCCCOc1ccc(C(=O)OCCN(CC)CC)cc1","CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC","Cl(1)"]
[3174,"2361-27-5","NNC(=O)c1cccs1","NNC(=O)c1sccc1",null,"NNC(=O)c1cccs1","NNC(=O)c1sccc1",null,"NNC(=O)c1cccs1","NNC(=O)c1sccc1",null,"NNC(=O)c1cccs1","NNC(=O)c1sccc1"]
[3175,"2361-96-8","CCOC(=O)C(Cc1ccccc1)NC(C)=O","CCOC(=O)C(Cc1ccccc1)NC(C)=O",null,"CCOC(=O)C(Cc1ccccc1)NC(C)=O","CCOC(=O)C(Cc1ccccc1)NC(C)=O",null,"CCOC(=O)C(Cc1ccccc1)N=C(C)O","CCOC(=O)C(Cc1ccccc1)N=C(C)O",null,"CCOC(=O)C(Cc1ccccc1)N=C(C)O","CCOC(=O)C(Cc1ccccc1)N=C(C)O"]
[3176,"2363-58-8","CC12CCC3C(CCC4CC5SC5CC43C)C1CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC5C(S5)C4)C)CCC2O",null,"CC12CCC3C(CCC4CC5SC5CC43C)C1CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC5C(S5)C4)C)CCC2O",null,"CC12CCC3C(CCC4CC5SC5CC43C)C1CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC5C(S5)C4)C)CCC2O",null,"CC12CCC3C(CCC4CC5SC5CC43C)C1CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC5C(S5)C4)C)CCC2O"]
[3177,"2367-82-0","Fc1cc(F)c(F)c(F)c1","Fc1cc(c(c(c1)F)F)F",null,"Fc1cc(F)c(F)c(F)c1","Fc1cc(c(c(c1)F)F)F",null,"Fc1cc(F)c(F)c(F)c1","Fc1cc(c(c(c1)F)F)F",null,"Fc1cc(F)c(F)c(F)c1","Fc1cc(c(c(c1)F)F)F"]
[3178,"2370-12-9","CCCC(C)(C)CO","CCCC(C)(C)CO",null,"CCCC(C)(C)CO","CCCC(C)(C)CO",null,"CCCC(C)(C)CO","CCCC(C)(C)CO",null,"CCCC(C)(C)CO","CCCC(C)(C)CO"]
[3179,"2373-31-1","Cc1cc(=O)oc2ccc(O)cc12","Cc1c2c(oc(c1)=O)ccc(O)c2",null,"Cc1cc(=O)oc2ccc(O)cc12","Cc1c2c(oc(c1)=O)ccc(O)c2",null,"Cc1cc(=O)oc2ccc(O)cc12","Cc1c2c(oc(c1)=O)ccc(O)c2",null,"Cc1cc(=O)oc2ccc(O)cc12","Cc1c2c(oc(c1)=O)ccc(O)c2"]
[3180,"2373-80-0","O=C(O)C=Cc1ccc2c(c1)OCO2","O=C(O)C=Cc1cc2c(cc1)OCO2",null,"O=C(O)C=Cc1ccc2c(c1)OCO2","O=C(O)C=Cc1cc2c(cc1)OCO2"]
[3181,"2373-84-4","C=CCC1(CC)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CC",null,"C=CCC1(CC)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CC",{"$nulls":4},"C=CCC1(CC)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CC"]
[3182,"2381-15-9","Cc1ccc2cc3ccc4ccccc4c3cc2c1","Cc1cc2c(cc1)cc3c(c4c(cc3)cccc4)c2",null,"Cc1ccc2cc3ccc4ccccc4c3cc2c1","Cc1cc2c(cc1)cc3c(c4c(cc3)cccc4)c2",{"$nulls":4},"Cc1ccc2cc3ccc4ccccc4c3cc2c1","Cc1cc2c(cc1)cc3c(c4c(cc3)cccc4)c2"]
[3183,"2381-16-0","Cc1ccc2cc3c(ccc4ccccc43)cc2c1","Cc1cc2c(cc1)cc3c4c(ccc3c2)cccc4",null,"Cc1ccc2cc3c(ccc4ccccc43)cc2c1","Cc1cc2c(cc1)cc3c4c(ccc3c2)cccc4",null,"Cc1ccc2cc3c(ccc4ccccc43)cc2c1","Cc1cc2c(cc1)cc3c4c(ccc3c2)cccc4",null,"Cc1ccc2cc3c(ccc4ccccc43)cc2c1","Cc1cc2c(cc1)cc3c4c(ccc3c2)cccc4"]
[3184,"2381-39-7","Cc1c2ccccc2c2ccc3cccc4ccc1c2c43","Cc1c2ccc3cccc4ccc(c5c1cccc5)c2c43",null,"Cc1c2ccccc2c2ccc3cccc4ccc1c2c43","Cc1c2ccc3cccc4ccc(c5c1cccc5)c2c43",null,"Cc1c2ccccc2c2ccc3cccc4ccc1c2c43","Cc1c2ccc3cccc4ccc(c5c1cccc5)c2c43",null,"Cc1c2ccccc2c2ccc3cccc4ccc1c2c43","Cc1c2ccc3cccc4ccc(c5c1cccc5)c2c43"]
[3185,"2382-80-1",{"$nulls":3},"CCOC(=O)C(Cc1c[nH]c2ccccc12)N(C)C=O","CCOC(=O)C(Cc1c2c([nH]c1)cccc2)N(C)C=O"]
[3186,"2382-96-9","S=c1[nH]c2ccccc2o1","S=c1oc2c([nH]1)cccc2",null,"S=c1[nH]c2ccccc2o1","S=c1oc2c([nH]1)cccc2",null,"Sc1nc2ccccc2o1","Sc1oc2c(n1)cccc2",null,"Sc1nc2ccccc2o1","Sc1oc2c(n1)cccc2"]
[3187,"2385-74-2",{"$nulls":3},"CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O"]
[3188,"2385-85-5","ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","ClC1(C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","ClC1(C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","ClC1(C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","ClC1(C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl"]
[3189,"2392-68-9","S=C=Nc1cccc(Cl)c1","S=C=Nc1cc(ccc1)Cl",null,"S=C=Nc1cccc(Cl)c1","S=C=Nc1cc(ccc1)Cl",null,"S=C=Nc1cccc(Cl)c1","S=C=Nc1cc(ccc1)Cl"]
[3190,"2396-63-6","C=CCCCC=C","C=CCCCC=C",null,"C#CCCCC#C","C#CCCCC#C",null,"C=CCCCC=C","C=CCCCC=C",null,"C#CCCCC#C","C#CCCCC#C"]
[3191,"2396-65-8","C#CCCCCCC#C","C#CCCCCCC#C",null,"C#CCCCCCC#C","C#CCCCCCC#C",null,"C#CCCCCCC#C","C#CCCCCCC#C",null,"C#CCCCCCC#C","C#CCCCCCC#C"]
[3192,"2398-81-4","O=C(O)C1=C[NH+2]([O-])[CH-]C=C1","O=C(O)C1=C[NH+2]([O-])[CH-]C=C1",null,"O=C(O)C1=C[NH+2]([O-])[CH-]C=C1","O=C(O)C1=C[NH+2]([O-])[CH-]C=C1",{"$nulls":4},"O=C(O)c1ccc[n+]([O-])c1","O=C(O)c1c[n+](ccc1)[O-]"]
[3193,"2404-58-2","CCCCOP(=O)(CC)OCCCC","CCCCOP(=O)(CC)OCCCC",{"$nulls":4},"CCCCOP(=O)(CC)OCCCC","CCCCOP(=O)(CC)OCCCC",null,"CCCCOP(=O)(CC)OCCCC","CCCCOP(=O)(CC)OCCCC"]
[3194,"2404-73-1","CCCCOP(C)(=O)OCCCC","CCCCOP(C)(=O)OCCCC",null,"CCCCOP(C)(=O)OCCCC","CCCCOP(C)(=O)OCCCC",null,"CCCCOP(C)(=O)OCCCC","CCCCOP(C)(=O)OCCCC",null,"CCCCOP(C)(=O)OCCCC","CCCCOP(C)(=O)OCCCC"]
[3195,"2416-94-6","Cc1ccc(C)c(O)c1C","Cc1c(c(c(cc1)C)O)C",null,"Cc1ccc(C)c(O)c1C","Cc1c(c(c(cc1)C)O)C",null,"Cc1ccc(C)c(O)c1C","Cc1c(c(c(cc1)C)O)C",null,"Cc1ccc(C)c(O)c1C","Cc1c(c(c(cc1)C)O)C"]
[3196,"2417-10-9","Oc1ccccc1Oc1ccccc1","Oc1c(cccc1)Oc2ccccc2",null,"Oc1ccccc1Oc1ccccc1","Oc1c(cccc1)Oc2ccccc2",null,"Oc1ccccc1Oc1ccccc1","Oc1c(cccc1)Oc2ccccc2",null,"Oc1ccccc1Oc1ccccc1","Oc1c(cccc1)Oc2ccccc2"]
[3197,"2421-02-5","CCC(O)CN(CC(O)CC)CC(O)CC","CCC(O)CN(CC(O)CC)CC(O)CC",null,"CCC(O)CN(CC(O)CC)CC(O)CC","CCC(O)CN(CC(O)CC)CC(O)CC"]
[3198,"2422-79-9","Cc1c2ccccc2cc2ccc3ccccc3c12","Cc1c2c(cc3c1cccc3)ccc4c2cccc4",null,"Cc1c2ccccc2cc2ccc3ccccc3c12","Cc1c2c(cc3c1cccc3)ccc4c2cccc4",null,"Cc1c2ccccc2cc2ccc3ccccc3c12","Cc1c2c(cc3c1cccc3)ccc4c2cccc4",null,"Cc1c2ccccc2cc2ccc3ccccc3c12","Cc1c2c(cc3c1cccc3)ccc4c2cccc4"]
[3199,"2425-06-1","O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)C(Cl)Cl",null,"O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)C(Cl)Cl",null,"O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)C(Cl)Cl",null,"O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)C(Cl)Cl"]
[3200,"2425-10-7",{"$nulls":3},"CNC(=O)Oc1ccc(C)c(C)c1","CNC(=O)Oc1cc(c(cc1)C)C",{"$nulls":4},"CNC(=O)Oc1ccc(C)c(C)c1","CNC(=O)Oc1cc(c(cc1)C)C"]
[3201,"2426-08-6",{"$nulls":3},"CCCCOCC1CO1","CCCCOCC1OC1",null,"CCCCOCC1CO1","CCCCOCC1OC1",null,"CCCCOCC1CO1","CCCCOCC1OC1"]
[3202,"2430-22-0","CC(C)CCCCCCO","CC(C)CCCCCCO",null,"CC(C)CCCCCCO","CC(C)CCCCCCO",null,"CC(C)CCCCCCO","CC(C)CCCCCCO",null,"CC(C)CCCCCCO","CC(C)CCCCCCO"]
[3203,"2432-12-4","Cc1cc(Cl)c(O)c(Cl)c1","Cc1cc(c(c(c1)Cl)O)Cl",null,"Cc1cc(Cl)c(O)c(Cl)c1","Cc1cc(c(c(c1)Cl)O)Cl",null,"Cc1cc(Cl)c(O)c(Cl)c1","Cc1cc(c(c(c1)Cl)O)Cl",null,"Cc1cc(Cl)c(O)c(Cl)c1","Cc1cc(c(c(c1)Cl)O)Cl"]
[3204,"2432-20-4","Cc1ncc2nccnc2n1","Cc1nc2c(cn1)nccn2",{"$nulls":4},"Cc1ncc2nccnc2n1","Cc1nc2c(cn1)nccn2",null,"Cc1ncc2nccnc2n1","Cc1nc2c(cn1)nccn2"]
[3205,"2432-21-5","Cc1ncnc2nccnc12","Cc1c2c(ncn1)nccn2",{"$nulls":4},"Cc1ncnc2nccnc12","Cc1c2c(ncn1)nccn2",null,"Cc1ncnc2nccnc12","Cc1c2c(ncn1)nccn2"]
[3206,"2432-99-7","NCCCCCCCCCCC(=O)O","NCCCCCCCCCCC(=O)O",null,"NCCCCCCCCCCC(=O)O","NCCCCCCCCCCC(=O)O",null,"NCCCCCCCCCCC(=O)O","NCCCCCCCCCCC(=O)O",null,"NCCCCCCCCCCC(=O)O","NCCCCCCCCCCC(=O)O"]
[3207,"2437-79-8","Clc1ccc(-c2ccc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl"]
[3208,"2439-01-2","Cc1ccc2nc3sc(=O)sc3nc2c1","Cc1cc2c(cc1)nc3c(sc(s3)=O)n2",null,"Cc1ccc2nc3sc(=O)sc3nc2c1","Cc1cc2c(cc1)nc3c(sc(s3)=O)n2",null,"Cc1ccc2nc3sc(=O)sc3nc2c1","Cc1cc2c(cc1)nc3c(sc(s3)=O)n2",null,"Cc1ccc2nc3sc(=O)sc3nc2c1","Cc1cc2c(cc1)nc3c(sc(s3)=O)n2"]
[3209,"2439-10-3","CCCCCCCCCCCCN=C(N)N","CCCCCCCCCCCCN=C(N)N","CC(O)=O(1)","CCCCCCCCCCCCN=C(N)N","CCCCCCCCCCCCN=C(N)N","CC(O)=O(1)","CCCCCCCCCCCCNC(=N)N","CCCCCCCCCCCCNC(=N)N","CC(O)=O(1)","CCCCCCCCCCCCNC(=N)N","CCCCCCCCCCCCNC(=N)N","CC(O)=O(1)",null,"Organic counterion"]
[3210,"2439-77-2","COc1ccccc1C(N)=O","COc1c(cccc1)C(N)=O",null,"COc1ccccc1C(N)=O","COc1c(cccc1)C(N)=O",null,"COc1ccccc1C(N)=O","COc1c(cccc1)C(N)=O",null,"COc1ccccc1C(N)=O","COc1c(cccc1)C(N)=O"]
[3211,"2439-99-8","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O",null,"O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O",null,"O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O",null,"O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O"]
[3212,"2440-20-2","Nc1ccc(CC(=O)c2ccccc2)cc1","Nc1ccc(cc1)CC(=O)c2ccccc2",{"$nulls":4},"Nc1ccc(CC(=O)c2ccccc2)cc1","Nc1ccc(cc1)CC(=O)c2ccccc2",null,"Nc1ccc(CC(=O)c2ccccc2)cc1","Nc1ccc(cc1)CC(=O)c2ccccc2"]
[3213,"2444-89-5","Clc1ccc(Oc2ccc(Cl)cc2)cc1","Clc1ccc(cc1)Oc2ccc(cc2)Cl",null,"Clc1ccc(Oc2ccc(Cl)cc2)cc1","Clc1ccc(cc1)Oc2ccc(cc2)Cl",null,"Clc1ccc(Oc2ccc(Cl)cc2)cc1","Clc1ccc(cc1)Oc2ccc(cc2)Cl",null,"Clc1ccc(Oc2ccc(Cl)cc2)cc1","Clc1ccc(cc1)Oc2ccc(cc2)Cl"]
[3214,"2451-01-6",{"$nulls":3},"CC1(O)CCC(C(C)(C)O)CC1","CC1(CCC(CC1)C(C)(C)O)O","O(1)"]
[3215,"2463-84-5","COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1Cl","COP(=S)(OC)Oc1c(cc(cc1)[N+](=O)[O-])Cl",null,"COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1Cl","COP(=S)(OC)Oc1c(cc(cc1)[N+](=O)[O-])Cl",null,"COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1Cl","COP(=S)(OC)Oc1c(cc(cc1)[N+](=O)[O-])Cl",null,"COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1Cl","COP(=S)(OC)Oc1c(cc(cc1)[N+](=O)[O-])Cl"]
[3216,"2464-37-1",{"$nulls":3},"O=C(O)C1(O)c2ccccc2-c2ccc(Cl)cc21","O=C(O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O",{"$nulls":4},"O=C(O)C1(O)c2ccccc2-c2ccc(Cl)cc21","O=C(O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O"]
[3217,"2475-45-8","Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C2=O","Nc1c2c(c(cc1)N)C(c3c(C2=O)c(N)ccc3N)=O",null,"Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C2=O","Nc1c2c(c(cc1)N)C(c3c(C2=O)c(N)ccc3N)=O",null,"Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C2=O","Nc1c2c(c(cc1)N)C(c3c(C2=O)c(N)ccc3N)=O",null,"Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C2=O","Nc1c2c(c(cc1)N)C(c3c(C2=O)c(N)ccc3N)=O"]
[3218,"2484-88-0","O=S(=O)(O)c1ccc(N=Nc2ccccc2)cc1","O=S(=O)(O)c1ccc(cc1)N=Nc2ccccc2",null,"O=S(=O)(O)c1ccc(N=Nc2ccccc2)cc1","O=S(=O)(O)c1ccc(cc1)N=Nc2ccccc2",null,"O=S(=O)(O)c1ccc(N=Nc2ccccc2)cc1","O=S(=O)(O)c1ccc(cc1)N=Nc2ccccc2",null,"O=S(=O)(O)c1ccc(N=Nc2ccccc2)cc1","O=S(=O)(O)c1ccc(cc1)N=Nc2ccccc2"]
[3219,"2487-01-6","CC(=O)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c1C(C)(C)C","CC(=O)Oc1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])C)C(C)(C)C",null,"CC(=O)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c1C(C)(C)C","CC(=O)Oc1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])C)C(C)(C)C",{"$nulls":4},"CC(=O)Oc1c(C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]","CC(=O)Oc1c(c(c(cc1C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]"]
[3220,"2491-15-8","O=CNCC(=O)O","O=CNCC(=O)O",null,"O=CNCC(=O)O","O=CNCC(=O)O",null,"O=CNCC(=O)O","O=CNCC(=O)O",null,"O=CNCC(=O)O","O=CNCC(=O)O"]
[3221,"2491-32-9","O=C(Cc1ccccc1)c1ccc(O)cc1","O=C(Cc1ccccc1)c2ccc(cc2)O",null,"O=C(Cc1ccccc1)c1ccc(O)cc1","O=C(Cc1ccccc1)c2ccc(cc2)O",null,"O=C(Cc1ccccc1)c1ccc(O)cc1","O=C(Cc1ccccc1)c2ccc(cc2)O",null,"O=C(Cc1ccccc1)c1ccc(O)cc1","O=C(Cc1ccccc1)c2ccc(cc2)O"]
[3222,"2497-06-5","CCOP(=S)(OCC)SCCS(=O)(=O)CC","CCOP(=S)(OCC)SCCS(=O)(=O)CC",null,"CCOP(=S)(OCC)SCCS(=O)(=O)CC","CCOP(=S)(OCC)SCCS(=O)(=O)CC",null,"CCOP(=S)(OCC)SCCS(=O)(=O)CC","CCOP(=S)(OCC)SCCS(=O)(=O)CC",null,"CCOP(=S)(OCC)SCCS(=O)(=O)CC","CCOP(=S)(OCC)SCCS(=O)(=O)CC"]
[3223,"2497-07-6","CCOP(=S)(OCC)SCCS(=O)CC","CCOP(=S)(OCC)SCCS(=O)CC",null,"CCOP(=S)(OCC)SCCS(=O)CC","CCOP(=S)(OCC)SCCS(=O)CC",null,"CCOP(=S)(OCC)SCCS(=O)CC","CCOP(=S)(OCC)SCCS(=O)CC",null,"CCOP(=S)(OCC)SCCS(=O)CC","CCOP(=S)(OCC)SCCS(=O)CC"]
[3224,"2498-63-7","Cc1c2ccccc2cc2c1cc(F)c1ccccc12","Cc1c2c(cc3c1cccc3)c4c(c(c2)F)cccc4",null,"Cc1c2ccccc2cc2c1cc(F)c1ccccc12","Cc1c2c(cc3c1cccc3)c4c(c(c2)F)cccc4",null,"Cc1c2ccccc2cc2c1cc(F)c1ccccc12","Cc1c2c(cc3c1cccc3)c4c(c(c2)F)cccc4",null,"Cc1c2ccccc2cc2c1cc(F)c1ccccc12","Cc1c2c(cc3c1cccc3)c4c(c(c2)F)cccc4"]
[3225,"2498-77-3","Cc1cccc2ccc3cc4ccccc4cc3c12","Cc1c2c(ccc1)ccc3c2cc4c(c3)cccc4",null,"Cc1cccc2ccc3cc4ccccc4cc3c12","Cc1c2c(ccc1)ccc3c2cc4c(c3)cccc4",null,"Cc1cccc2ccc3cc4ccccc4cc3c12","Cc1c2c(ccc1)ccc3c2cc4c(c3)cccc4",null,"Cc1cccc2ccc3cc4ccccc4cc3c12","Cc1c2c(ccc1)ccc3c2cc4c(c3)cccc4"]
[3226,"2516-95-2","O=C(O)c1cc(Cl)ccc1[N+](=O)[O-]","O=C(O)c1c(ccc(c1)Cl)[N+](=O)[O-]",null,"O=C(O)c1cc(Cl)ccc1[N+](=O)[O-]","O=C(O)c1c(ccc(c1)Cl)[N+](=O)[O-]",{"$nulls":4},"O=C(O)c1cc(Cl)ccc1[N+](=O)[O-]","O=C(O)c1c(ccc(c1)Cl)[N+](=O)[O-]"]
[3227,"2516-96-3","O=C(O)c1cc([N+](=O)[O-])ccc1Cl","O=C(O)c1c(ccc(c1)[N+](=O)[O-])Cl",null,"O=C(O)c1cc([N+](=O)[O-])ccc1Cl","O=C(O)c1c(ccc(c1)[N+](=O)[O-])Cl",null,"O=C(O)c1cc([N+](=O)[O-])ccc1Cl","O=C(O)c1c(ccc(c1)[N+](=O)[O-])Cl",null,"O=C(O)c1cc([N+](=O)[O-])ccc1Cl","O=C(O)c1c(ccc(c1)[N+](=O)[O-])Cl"]
[3228,"2518-42-5","Cc1no[n+]([O-])c1C","Cc1c([n+](on1)[O-])C",null,"Cc1no[n+]([O-])c1C","Cc1c([n+](on1)[O-])C",{"$nulls":4},"Cc1no[n+]([O-])c1C","Cc1c([n+](on1)[O-])C"]
[3229,"2528-36-1","CCCCOP(=O)(OCCCC)Oc1ccccc1","CCCCOP(=O)(OCCCC)Oc1ccccc1",null,"CCCCOP(=O)(OCCCC)Oc1ccccc1","CCCCOP(=O)(OCCCC)Oc1ccccc1",null,"CCCCOP(=O)(OCCCC)Oc1ccccc1","CCCCOP(=O)(OCCCC)Oc1ccccc1",null,"CCCCOP(=O)(OCCCC)Oc1ccccc1","CCCCOP(=O)(OCCCC)Oc1ccccc1"]
[3230,"2531-84-2","Cc1ccc2c(ccc3ccccc32)c1","Cc1cc2c(cc1)c3c(cc2)cccc3",null,"Cc1ccc2c(ccc3ccccc32)c1","Cc1cc2c(cc1)c3c(cc2)cccc3",null,"Cc1ccc2c(ccc3ccccc32)c1","Cc1cc2c(cc1)c3c(cc2)cccc3",null,"Cc1ccc2c(ccc3ccccc32)c1","Cc1cc2c(cc1)c3c(cc2)cccc3"]
[3231,"2536-31-4","COC(=O)C1(O)c2ccccc2-c2ccc(Cl)cc21","COC(=O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O",null,"COC(=O)C1(O)c2ccccc2-c2ccc(Cl)cc21","COC(=O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O",{"$nulls":4},"COC(=O)C1(O)c2ccccc2-c2ccc(Cl)cc21","COC(=O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O"]
[3232,"2539-17-5","COc1cc(Cl)c(Cl)c(Cl)c1OCl","COc1c(c(c(c(c1)Cl)Cl)Cl)OCl",null,"COc1c(O)c(Cl)c(Cl)c(Cl)c1Cl","COc1c(c(c(c(c1O)Cl)Cl)Cl)Cl",null,"COc1c(O)c(Cl)c(Cl)c(Cl)c1Cl","COc1c(c(c(c(c1O)Cl)Cl)Cl)Cl",null,"COc1c(O)c(Cl)c(Cl)c(Cl)c1Cl","COc1c(c(c(c(c1O)Cl)Cl)Cl)Cl"]
[3233,"2540-82-1","COP(=S)(OC)SCC(=O)N(C)C=O","COP(=S)(OC)SCC(=O)N(C)C=O",null,"COP(=S)(OC)SCC(=O)N(C)C=O","COP(=S)(OC)SCC(=O)N(C)C=O",null,"COP(=S)(OC)SCC(=O)N(C)C=O","COP(=S)(OC)SCC(=O)N(C)C=O",null,"COP(=S)(OC)SCC(=O)N(C)C=O","COP(=S)(OC)SCC(=O)N(C)C=O"]
[3234,"2541-68-6","Cc1c2ccccc2cc2c1c(F)cc1ccccc12","Cc1c2c(cc3c1cccc3)c4c(cc2F)cccc4",null,"Cc1c2ccccc2cc2c1c(F)cc1ccccc12","Cc1c2c(cc3c1cccc3)c4c(cc2F)cccc4",null,"Cc1c2ccccc2cc2c1c(F)cc1ccccc12","Cc1c2c(cc3c1cccc3)c4c(cc2F)cccc4",null,"Cc1c2ccccc2cc2c1c(F)cc1ccccc12","Cc1c2c(cc3c1cccc3)c4c(cc2F)cccc4"]
[3235,"2541-69-7",{"$nulls":3},"Cc1c2ccccc2cc2c1ccc1ccccc12","Cc1c2c(cc3c1cccc3)c4c(cc2)cccc4",{"$nulls":4},"Cc1c2ccccc2cc2c1ccc1ccccc12","Cc1c2c(cc3c1cccc3)c4c(cc2)cccc4"]
[3236,"2553-17-5","O=CCCCCCCCC(=O)O","O=CCCCCCCCC(=O)O",null,"O=CCCCCCCCC(=O)O","O=CCCCCCCCC(=O)O",null,"O=CCCCCCCCC(=O)O","O=CCCCCCCCC(=O)O",null,"O=CCCCCCCCC(=O)O","O=CCCCCCCCC(=O)O"]
[3237,"2563-99-7","O=C(Nc1ccccc1)C(Cl)Cl","O=C(Nc1ccccc1)C(Cl)Cl",null,"O=C(Nc1ccccc1)C(Cl)Cl","O=C(Nc1ccccc1)C(Cl)Cl",null,"O=C(Nc1ccccc1)C(Cl)Cl","O=C(Nc1ccccc1)C(Cl)Cl"]
[3238,"2568-96-9","CCC1OCCO1","CCC1OCCO1",null,"CCC1OCCO1","CCC1OCCO1",null,"CCC1OCCO1","CCC1OCCO1",null,"CCC1OCCO1","CCC1OCCO1"]
[3239,"2571-22-4","C=C(C)C1C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2O","C=C(C)C1C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O",null,"C=C(C)C1C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2O","C=C(C)C1C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O",null,"C=C(C)C1C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2O","C=C(C)C1C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O",null,"C=C(C)C1C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2O","C=C(C)C1C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O"]
[3240,"2580-79-2","N=C(N)C(=NO)NO","N=C(N)C(=NO)NO",null,"NC(N=O)=C(N)NO","NC(N=O)=C(N)NO",null,"NC(=NO)C(N)=NO","NC(=NO)C(N)=NO",null,"NC(=NO)C(N)=NO","NC(=NO)C(N)=NO"]
[3241,"2581-34-2","Cc1cc(O)ccc1[N+](=O)[O-]","Cc1c(ccc(c1)O)[N+](=O)[O-]",null,"Cc1cc(O)ccc1[N+](=O)[O-]","Cc1c(ccc(c1)O)[N+](=O)[O-]",null,"Cc1cc(O)ccc1[N+](=O)[O-]","Cc1c(ccc(c1)O)[N+](=O)[O-]",null,"Cc1cc(O)ccc1[N+](=O)[O-]","Cc1c(ccc(c1)O)[N+](=O)[O-]"]
[3242,"2581-69-3","O=[N+]([O-])c1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)Nc3ccccc3","C.I(1)","O=[N+]([O-])c1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)Nc3ccccc3","C.I(1)",{"$nulls":3},"O=[N+]([O-])c1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)Nc3ccccc3","C.I(1)"]
[3243,"2582-07-2","NC(N)=Nc1nc2ccccc2s1","NC(N)=Nc1sc2c(n1)cccc2",null,"NC(N)=Nc1nc2ccccc2s1","NC(N)=Nc1sc2c(n1)cccc2"]
[3244,"2583-24-6","O=C(O)C=CCCC(=O)O","O=C(O)C=CCCC(=O)O",{"$nulls":4},"O=C(O)C=CCCC(=O)O","O=C(O)C=CCCC(=O)O",null,"O=C(O)C=CCCC(=O)O","O=C(O)C=CCCC(=O)O"]
[3245,"2588-03-6","CCOP(=S)(OCC)SCS(=O)CC","CCOP(=S)(OCC)SCS(=O)CC",null,"CCOP(=S)(OCC)SCS(=O)CC","CCOP(=S)(OCC)SCS(=O)CC",null,"CCOP(=S)(OCC)SCS(=O)CC","CCOP(=S)(OCC)SCS(=O)CC",null,"CCOP(=S)(OCC)SCS(=O)CC","CCOP(=S)(OCC)SCS(=O)CC"]
[3246,"2588-04-7","CCOP(=S)(OCC)SCS(=O)(=O)CC","CCOP(=S)(OCC)SCS(=O)(=O)CC",null,"CCOP(=S)(OCC)SCS(=O)(=O)CC","CCOP(=S)(OCC)SCS(=O)(=O)CC",null,"CCOP(=S)(OCC)SCS(=O)(=O)CC","CCOP(=S)(OCC)SCS(=O)(=O)CC",null,"CCOP(=S)(OCC)SCS(=O)(=O)CC","CCOP(=S)(OCC)SCS(=O)(=O)CC"]
[3247,"2588-05-8","CCOP(=O)(OCC)SCS(=O)CC","CCOP(=O)(OCC)SCS(=O)CC",null,"CCOP(=O)(OCC)SCS(=O)CC","CCOP(=O)(OCC)SCS(=O)CC",null,"CCOP(=O)(OCC)SCS(=O)CC","CCOP(=O)(OCC)SCS(=O)CC",null,"CCOP(=O)(OCC)SCS(=O)CC","CCOP(=O)(OCC)SCS(=O)CC"]
[3248,"2593-15-9",{"$nulls":3},"CCOc1nc(C(Cl)(Cl)Cl)ns1","CCOc1snc(n1)C(Cl)(Cl)Cl",{"$nulls":4},"CCOc1nc(C(Cl)(Cl)Cl)ns1","CCOc1snc(n1)C(Cl)(Cl)Cl"]
[3249,"2595-54-2","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC",null,"CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC",null,"CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC",null,"CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC"]
[3250,"2597-03-7","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1",null,"CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1",null,"CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1",null,"CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1"]
[3251,"2597-97-9","C[Hg]C#N","C[Hg]C#N",null,"C[Hg]C#N","C[Hg]C#N",null,"C[Hg]C#N","C[Hg]C#N",null,"C[Hg]C#N","C[Hg]C#N"]
[3252,"2599-11-3","CCNc1nc(=O)nc(NCC)[nH]1","CCNc1[nH]c(nc(n1)=O)NCC",null,"CCNc1nc(=O)nc(NCC)[nH]1","CCNc1[nH]c(nc(n1)=O)NCC",null,"CCNc1nc(O)nc(NCC)n1","CCNc1nc(nc(n1)O)NCC",null,"CCNc1nc(O)nc(NCC)n1","CCNc1nc(nc(n1)O)NCC"]
[3253,"2602-36-0","Cc1nc(C)c(C(=O)O)cc1C(=O)O","Cc1c(cc(c(n1)C)C(=O)O)C(=O)O",null,"Cc1nc(C)c(C(=O)O)cc1C(=O)O","Cc1c(cc(c(n1)C)C(=O)O)C(=O)O",null,"Cc1nc(C)c(C(=O)O)cc1C(=O)O","Cc1c(cc(c(n1)C)C(=O)O)C(=O)O",null,"Cc1nc(C)c(C(=O)O)cc1C(=O)O","Cc1c(cc(c(n1)C)C(=O)O)C(=O)O"]
[3254,"2611-82-7","O=C1C=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2C1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12","O=C1C(c2c(C=C1)cc(S(=O)(=O)O)cc2S(=O)(=O)O)=NNc3c4c(c(cc3)S(=O)(=O)O)cccc4","[Na+](3)","O=C1C=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2C1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12","O=C1C(c2c(C=C1)cc(S(=O)(=O)O)cc2S(=O)(=O)O)=NNc3c4c(c(cc3)S(=O)(=O)O)cccc4","[Na+](3)","O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2c(N=Nc3ccc(S(=O)(=O)[O-])c4ccccc34)c(O)ccc2c1","O=S(=O)(O)c1cc2c(c(c1)S(=O)(=O)O)c(N=Nc3c4c(c(cc3)S(=O)(=O)O)cccc4)c(O)cc2","[Na+](3)","O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2c(N=Nc3ccc(S(=O)(=O)[O-])c4ccccc34)c(O)ccc2c1","O=S(=O)(O)c1cc2c(c(c1)S(=O)(=O)O)c(N=Nc3c4c(c(cc3)S(=O)(=O)O)cccc4)c(O)cc2","[Na+](3)"]
[3255,"2620-71-5"]
[3256,"2622-26-6","N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2","N#Cc1cc2c(cc1)Sc3c(N2CCCN4CCC(CC4)O)cccc3",null,"N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2","N#Cc1cc2c(cc1)Sc3c(N2CCCN4CCC(CC4)O)cccc3",null,"N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2","N#Cc1cc2c(cc1)Sc3c(N2CCCN4CCC(CC4)O)cccc3",null,"N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2","N#Cc1cc2c(cc1)Sc3c(N2CCCN4CCC(CC4)O)cccc3"]
[3257,"2623-33-8","CC(=O)Nc1ccc(OC(C)=O)cc1","CC(=O)Nc1ccc(cc1)OC(C)=O",null,"CC(=O)Nc1ccc(OC(C)=O)cc1","CC(=O)Nc1ccc(cc1)OC(C)=O",null,"CC(=O)Nc1ccc(OC(C)=O)cc1","CC(=O)Nc1ccc(cc1)OC(C)=O",null,"CC(=O)Nc1ccc(OC(C)=O)cc1","CC(=O)Nc1ccc(cc1)OC(C)=O"]
[3258,"2625-22-1"]
[3259,"2625-25-4","Cc1nc2c(=O)n(C)c(=O)n(C)c2nc1C","Cc1c(nc2c(n1)c(=O)n(C)c(=O)n2C)C",null,"Cc1nc2c(=O)n(C)c(=O)n(C)c2nc1C","Cc1c(nc2c(n1)c(=O)n(C)c(=O)n2C)C",null,"Cc1nc2c(=O)n(C)c(=O)n(C)c2nc1C","Cc1c(nc2c(n1)c(=O)n(C)c(=O)n2C)C",null,"Cc1nc2c(=O)n(C)c(=O)n(C)c2nc1C","Cc1c(nc2c(n1)c(=O)n(C)c(=O)n2C)C"]
[3260,"2631-37-0",{"$nulls":3},"CNC(=O)Oc1cc(C)cc(C(C)C)c1","CNC(=O)Oc1cc(cc(c1)C)C(C)C",null,"CNC(=O)Oc1cc(C)cc(C(C)C)c1","CNC(=O)Oc1cc(cc(c1)C)C(C)C",null,"CNC(=O)Oc1cc(C)cc(C(C)C)c1","CNC(=O)Oc1cc(cc(c1)C)C(C)C"]
[3261,"2631-40-5","CNC(=O)Oc1ccccc1C(C)C","CNC(=O)Oc1c(cccc1)C(C)C",null,"CNC(=O)Oc1ccccc1C(C)C","CNC(=O)Oc1c(cccc1)C(C)C",null,"CNC(=O)Oc1ccccc1C(C)C","CNC(=O)Oc1c(cccc1)C(C)C",null,"CNC(=O)Oc1ccccc1C(C)C","CNC(=O)Oc1c(cccc1)C(C)C"]
[3262,"2631-77-8","O=Cc1cc(I)cc(I)c1O","O=Cc1c(c(cc(c1)I)I)O",null,"O=Cc1cc(I)cc(I)c1O","O=Cc1c(c(cc(c1)I)I)O",null,"O=Cc1cc(I)cc(I)c1O","O=Cc1c(c(cc(c1)I)I)O",null,"O=Cc1cc(I)cc(I)c1O","O=Cc1c(c(cc(c1)I)I)O"]
[3263,"2635-56-5","CCc1nc(N)c(C)c(CC)n1","CCc1nc(c(c(n1)N)C)CC",null,"CCc1nc(N)c(C)c(CC)n1","CCc1nc(c(c(n1)N)C)CC",null,"CCc1nc(N)c(C)c(CC)n1","CCc1nc(c(c(n1)N)C)CC",null,"CCc1nc(N)c(C)c(CC)n1","CCc1nc(c(c(n1)N)C)CC"]
[3264,"2635-84-9","CCCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",null,"CCCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",null,"CCCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",null,"CCCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]"]
[3265,"2636-26-2","COP(=S)(OC)Oc1ccc(C#N)cc1","COP(=S)(OC)Oc1ccc(cc1)C#N",null,"COP(=S)(OC)Oc1ccc(C#N)cc1","COP(=S)(OC)Oc1ccc(cc1)C#N",null,"COP(=S)(OC)Oc1ccc(C#N)cc1","COP(=S)(OC)Oc1ccc(cc1)C#N",null,"COP(=S)(OC)Oc1ccc(C#N)cc1","COP(=S)(OC)Oc1ccc(cc1)C#N"]
[3266,"2636-79-5","O=C1C=Cc2ccccc2C1=NO","O=C1C(c2c(C=C1)cccc2)=NO",null,"O=Nc1c(O)ccc2ccccc12","O=Nc1c2c(ccc1O)cccc2",null,"O=C1C=Cc2ccccc2C1=NO","O=C1C(c2c(C=C1)cccc2)=NO",null,"O=C1C=Cc2ccccc2C1=NO","O=C1C(c2c(C=C1)cccc2)=NO"]
[3267,"2638-94-0","CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O","CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O",null,"CC(C#N)(CCC(=O)[O-])N=NC(C)(C#N)CCC(=O)[O-]","CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O",{"$nulls":4},"CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O","CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O"]
[3268,"2642-71-9","CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O","CCOP(=S)(OCC)SCn1c(c2c(nn1)cccc2)=O",null,"CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O","CCOP(=S)(OCC)SCn1c(c2c(nn1)cccc2)=O",null,"CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O","CCOP(=S)(OCC)SCn1c(c2c(nn1)cccc2)=O",null,"CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O","CCOP(=S)(OCC)SCn1c(c2c(nn1)cccc2)=O"]
[3269,"2642-98-0","Nc1cc2c3ccccc3ccc2c2ccccc12","Nc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2",null,"Nc1cc2c3ccccc3ccc2c2ccccc12","Nc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2",{"$nulls":4},"Nc1cc2c3ccccc3ccc2c2ccccc12","Nc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2"]
[3270,"2655-14-3",{"$nulls":3},"CNC(=O)Oc1cc(C)cc(C)c1","CNC(=O)Oc1cc(cc(c1)C)C",{"$nulls":4},"CNC(=O)Oc1cc(C)cc(C)c1","CNC(=O)Oc1cc(cc(c1)C)C"]
[3271,"2655-19-8","CC(C)(C)c1cc(O)cc(C(C)(C)C)c1","CC(C)(C)c1cc(cc(c1)O)C(C)(C)C","CNC(O)=O(1)","CNC(=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1","CNC(=O)Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C",null,"CNC(=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1","CNC(=O)Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C",null,"CNC(=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1","CNC(=O)Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C"]
[3272,"2675-77-6","COc1cc(Cl)c(OC)cc1Cl","COc1c(cc(c(c1)Cl)OC)Cl",null,"COc1cc(Cl)c(OC)cc1Cl","COc1c(cc(c(c1)Cl)OC)Cl",null,"COc1cc(Cl)c(OC)cc1Cl","COc1c(cc(c(c1)Cl)OC)Cl",null,"COc1cc(Cl)c(OC)cc1Cl","COc1c(cc(c(c1)Cl)OC)Cl"]
[3273,"2679-14-3","CNCCC(=O)O","CNCCC(=O)O",null,"CNCCC(=O)O","CNCCC(=O)O",{"$nulls":4},"CNCCC(=O)O","CNCCC(=O)O"]
[3274,"2687-96-9","CCCCCCCCCCCCN1CCCC1=O","CCCCCCCCCCCCN1C(CCC1)=O",null,"CCCCCCCCCCCCN1CCCC1=O","CCCCCCCCCCCCN1C(CCC1)=O",{"$nulls":4},"CCCCCCCCCCCCN1CCCC1=O","CCCCCCCCCCCCN1C(CCC1)=O"]
[3275,"2689-07-8","Clc1ccccc1Oc1ccccc1","Clc1c(cccc1)Oc2ccccc2",null,"Clc1ccccc1Oc1ccccc1","Clc1c(cccc1)Oc2ccccc2",null,"Clc1ccccc1Oc1ccccc1","Clc1c(cccc1)Oc2ccccc2",null,"Clc1ccccc1Oc1ccccc1","Clc1c(cccc1)Oc2ccccc2"]
[3276,"2703-37-9",{"$nulls":3},"CCS(=O)CCSP(=S)(OC)OC","CCS(=O)CCSP(=S)(OC)OC",{"$nulls":4},"CCS(=O)CCSP(=S)(OC)OC","CCS(=O)CCSP(=S)(OC)OC"]
[3277,"2719-21-3","CC(=O)Nc1ccc(C(C)=O)cc1","CC(=O)Nc1ccc(cc1)C(C)=O",null,"CC(=O)Nc1ccc(C(C)=O)cc1","CC(=O)Nc1ccc(cc1)C(C)=O",null,"CC(=O)Nc1ccc(C(C)=O)cc1","CC(=O)Nc1ccc(cc1)C(C)=O",null,"CC(=O)Nc1ccc(C(C)=O)cc1","CC(=O)Nc1ccc(cc1)C(C)=O"]
[3278,"2725-81-7","O=c1ccc2cc([N+](=O)[O-])ccc2o1","O=c1oc2c(cc1)cc([N+](=O)[O-])cc2",null,"O=c1ccc2cc([N+](=O)[O-])ccc2o1","O=c1oc2c(cc1)cc([N+](=O)[O-])cc2",null,"O=c1ccc2cc([N+](=O)[O-])ccc2o1","O=c1oc2c(cc1)cc([N+](=O)[O-])cc2",null,"O=c1ccc2cc([N+](=O)[O-])ccc2o1","O=c1oc2c(cc1)cc([N+](=O)[O-])cc2"]
[3279,"2737-00-0","CCCCOP(=O)(OCC)OCC","CCCCOP(=O)(OCC)OCC",null,"CCCCOP(=O)(OCC)OCC","CCCCOP(=O)(OCC)OCC",null,"CCCCOP(=O)(OCC)OCC","CCCCOP(=O)(OCC)OCC",null,"CCCCOP(=O)(OCC)OCC","CCCCOP(=O)(OCC)OCC"]
[3280,"2743-60-4","CCOC(=O)C(N)CC(C)C","CCOC(=O)C(N)CC(C)C",null,"CCOC(=O)C(N)CC(C)C","CCOC(=O)C(N)CC(C)C",null,"CCOC(=O)C(N)CC(C)C","CCOC(=O)C(N)CC(C)C",null,"CCOC(=O)C(N)CC(C)C","CCOC(=O)C(N)CC(C)C"]
[3281,"2752-39-8","O=C(Cc1ccccc1)NC(CSSCC(NC(=O)Cc1ccccc1)C(=O)O)C(=O)O","O=C(Cc1ccccc1)NC(CSSCC(NC(=O)Cc2ccccc2)C(=O)O)C(=O)O",null,"O=C(Cc1ccccc1)NC(CSSCC(NC(=O)Cc1ccccc1)C(=O)O)C(=O)O","O=C(Cc1ccccc1)NC(CSSCC(NC(=O)Cc2ccccc2)C(=O)O)C(=O)O",{"$nulls":4},"O=C(Cc1ccccc1)NC(CSSCC(NC(=O)Cc1ccccc1)C(=O)O)C(=O)O","O=C(Cc1ccccc1)NC(CSSCC(NC(=O)Cc2ccccc2)C(=O)O)C(=O)O"]
[3282,"2754-57-6"]
[3283,"2764-72-9","c1cc[n+]2c(c1)-c1cccc[n+]1CC2","c1cc-2[n+](cc1)CC[n+]3c2cccc3","[Br-](2)","c1cc[n+]2c(c1)-c1cccc[n+]1CC2","c1cc-2[n+](cc1)CC[n+]3c2cccc3",null,"c1cc[n+]2c(c1)-c1cccc[n+]1CC2","c1cc-2[n+](cc1)CC[n+]3c2cccc3",null,"c1cc[n+]2c(c1)-c1cccc[n+]1CC2","c1cc-2[n+](cc1)CC[n+]3c2cccc3"]
[3284,"2772-46-5","COc1cc(Cl)c(Cl)cc1OC","COc1c(cc(c(c1)Cl)Cl)OC",null,"COc1cc(Cl)c(Cl)cc1OC","COc1c(cc(c(c1)Cl)Cl)OC",null,"COc1cc(Cl)c(Cl)cc1OC","COc1c(cc(c(c1)Cl)Cl)OC",null,"COc1cc(Cl)c(Cl)cc1OC","COc1c(cc(c(c1)Cl)Cl)OC"]
[3285,"2778-04-3","COc1coc(CSP(=O)(OC)OC)cc1=O","COc1c(cc(oc1)CSP(=O)(OC)OC)=O",null,"COc1coc(CSP(=O)(OC)OC)cc1=O","COc1c(cc(oc1)CSP(=O)(OC)OC)=O",null,"COc1coc(CSP(=O)(OC)OC)cc1=O","COc1c(cc(oc1)CSP(=O)(OC)OC)=O",null,"COc1coc(CSP(=O)(OC)OC)cc1=O","COc1c(cc(oc1)CSP(=O)(OC)OC)=O"]
[3286,"2784-22-7"]
[3287,"2809-21-4","CC(O)(P(=O)(O)O)P(=O)(O)O","CC(O)(P(=O)(O)O)P(=O)(O)O",null,"CC(O)(P(=O)(O)O)P(=O)(O)O","CC(O)(P(=O)(O)O)P(=O)(O)O",null,"CC(O)(P(=O)(O)O)P(=O)(O)O","CC(O)(P(=O)(O)O)P(=O)(O)O",null,"CC(O)(P(=O)(O)O)P(=O)(O)O","CC(O)(P(=O)(O)O)P(=O)(O)O"]
[3288,"2813-95-8","CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(C)=O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(C)=O",null,"CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(C)=O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(C)=O",null,"CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(C)=O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(C)=O",null,"CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(C)=O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(C)=O"]
[3289,"2815-34-1","CC1CNC(C)CN1","CC1NCC(NC1)C",null,"CC1C[NH2+]C(C)C[NH2+]1","CC1NCC(NC1)C",null,"CC1CNC(C)CN1","CC1NCC(NC1)C",null,"CC1CNC(C)CN1","CC1NCC(NC1)C"]
[3290,"2833-21-8","CC(=O)C=CC(=O)O","CC(=O)C=CC(=O)O",{"$nulls":4},"CC(=O)C=CC(=O)O","CC(=O)C=CC(=O)O",null,"CC(=O)C=CC(=O)O","CC(=O)C=CC(=O)O"]
[3291,"2834-05-1","O=C(O)CCCCCCCCCCBr","O=C(O)CCCCCCCCCCBr",null,"O=C(O)CCCCCCCCCCBr","O=C(O)CCCCCCCCCCBr",null,"O=C(O)CCCCCCCCCCBr","O=C(O)CCCCCCCCCCBr",null,"O=C(O)CCCCCCCCCCBr","O=C(O)CCCCCCCCCCBr"]
[3292,"2835-06-5","NC(C(=O)O)c1ccccc1","NC(C(=O)O)c1ccccc1",null,"NC(C(=O)O)c1ccccc1","NC(C(=O)O)c1ccccc1",null,"NC(C(=O)O)c1ccccc1","NC(C(=O)O)c1ccccc1",null,"NC(C(=O)O)c1ccccc1","NC(C(=O)O)c1ccccc1"]
[3293,"2835-81-6","CCC(N)C(=O)O","CCC(N)C(=O)O",null,"CCC(N)C(=O)O","CCC(N)C(=O)O",{"$nulls":4},"CCC(N)C(=O)O","CCC(N)C(=O)O"]
[3294,"2837-89-0","FC(Cl)C(F)(F)F","FC(Cl)C(F)(F)F",null,"FC(Cl)C(F)(F)F","FC(Cl)C(F)(F)F",null,"FC(Cl)C(F)(F)F","FC(Cl)C(F)(F)F",null,"FC(Cl)C(F)(F)F","FC(Cl)C(F)(F)F"]
[3295,"2845-89-8","COc1cccc(Cl)c1","COc1cc(ccc1)Cl",null,"COc1cccc(Cl)c1","COc1cc(ccc1)Cl",null,"COc1cccc(Cl)c1","COc1cc(ccc1)Cl",null,"COc1cccc(Cl)c1","COc1cc(ccc1)Cl"]
[3296,"2861-02-1",{"$nulls":3},"Nc1cc(S(=O)(=O)O)c(O)c2c1C(=O)c1c(O)c(S(=O)(=O)O)cc(N)c1C2=O","Nc1c2c(c(c(c1)S(=O)(=O)O)O)C(c3c(C2=O)c(O)c(S(=O)(=O)O)cc3N)=O","[Na](1)",{"$nulls":3},"Nc1cc(S(=O)(=O)[O-])c(O)c2c1C(=O)c1c(O)c(S(=O)(=O)[O-])cc(N)c1C2=O","Nc1c2c(c(c(c1)S(=O)(=O)O)O)C(c3c(C2=O)c(O)c(S(=O)(=O)O)cc3N)=O","[Na+](2)"]
[3297,"2916-31-6","CC1(C)OCCO1","CC1(OCCO1)C",null,"CC1(C)OCCO1","CC1(OCCO1)C",null,"CC1(C)OCCO1","CC1(OCCO1)C",null,"CC1(C)OCCO1","CC1(OCCO1)C"]
[3298,"2921-88-2","CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl","CCOP(=S)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl",null,"CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl","CCOP(=S)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl",null,"CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl","CCOP(=S)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl"]
[3299,"2941-29-9","N#CC1CCCC1=O","N#CC1C(CCC1)=O",null,"N#CC1CCCC1=O","N#CC1C(CCC1)=O",null,"N#CC1CCCC1=O","N#CC1C(CCC1)=O",null,"N#CC1CCCC1=O","N#CC1C(CCC1)=O"]
[3300,"2941-55-1","CCSC(=O)N(CC)CC","CCSC(=O)N(CC)CC",null,"CCSC(=O)N(CC)CC","CCSC(=O)N(CC)CC",{"$nulls":4},"CCSC(=O)N(CC)CC","CCSC(=O)N(CC)CC"]
[3301,"2948-89-2",{"$nulls":3},"C=CCOP(=O)(OCC=C)c1ccccc1","C=CCOP(=O)(OCC=C)c1ccccc1"]
[3302,"2950-47-2","CCCCOP(=O)(CCCC)CCCC","CCCCOP(=O)(CCCC)CCCC",{"$nulls":4},"CCCCOP(=O)(CCCC)CCCC","CCCCOP(=O)(CCCC)CCCC",null,"CCCCOP(=O)(CCCC)CCCC","CCCCOP(=O)(CCCC)CCCC"]
[3303,"2971-90-6","Cc1nc(C)c(Cl)c(O)c1Cl","Cc1c(c(c(c(n1)C)Cl)O)Cl",null,"Cc1[nH]c(C)c(Cl)c(=O)c1Cl","Cc1c(c(c(c([nH]1)C)Cl)=O)Cl",null,"Cc1nc(C)c(Cl)c(O)c1Cl","Cc1c(c(c(c(n1)C)Cl)O)Cl",null,"Cc1nc(C)c(Cl)c(O)c1Cl","Cc1c(c(c(c(n1)C)Cl)O)Cl"]
[3304,"2973-78-6","O=Cc1ccc(O)c(Br)c1","O=Cc1cc(c(cc1)O)Br",null,"O=Cc1ccc(O)c(Br)c1","O=Cc1cc(c(cc1)O)Br",null,"O=Cc1ccc(O)c(Br)c1","O=Cc1cc(c(cc1)O)Br",null,"O=Cc1ccc(O)c(Br)c1","O=Cc1cc(c(cc1)O)Br"]
[3305,"2974-90-5","Clc1ccc(-c2cccc(Cl)c2)cc1","Clc1ccc(cc1)-c2cc(ccc2)Cl",null,"Clc1ccc(-c2cccc(Cl)c2)cc1","Clc1ccc(cc1)-c2cc(ccc2)Cl",null,"Clc1ccc(-c2cccc(Cl)c2)cc1","Clc1ccc(cc1)-c2cc(ccc2)Cl",null,"Clc1ccc(-c2cccc(Cl)c2)cc1","Clc1ccc(cc1)-c2cc(ccc2)Cl"]
[3306,"2974-92-7","Clc1ccc(-c2ccccc2)cc1Cl","Clc1c(cc(cc1)-c2ccccc2)Cl",null,"Clc1ccc(-c2ccccc2)cc1Cl","Clc1c(cc(cc1)-c2ccccc2)Cl",null,"Clc1ccc(-c2ccccc2)cc1Cl","Clc1c(cc(cc1)-c2ccccc2)Cl",null,"Clc1ccc(-c2ccccc2)cc1Cl","Clc1c(cc(cc1)-c2ccccc2)Cl"]
[3307,"2976-74-1","O=C(O)COc1cccc(Cl)c1Cl","O=C(O)COc1c(c(ccc1)Cl)Cl",null,"O=C(O)COc1cccc(Cl)c1Cl","O=C(O)COc1c(c(ccc1)Cl)Cl",null,"O=C(O)COc1cccc(Cl)c1Cl","O=C(O)COc1c(c(ccc1)Cl)Cl",null,"O=C(O)COc1cccc(Cl)c1Cl","O=C(O)COc1c(c(ccc1)Cl)Cl"]
[3308,"2985-28-6","CCOC(=O)C(C)OC(C)=O","CCOC(=O)C(C)OC(C)=O",null,"CCOC(=O)C(C)OC(C)=O","CCOC(=O)C(C)OC(C)=O",null,"CCOC(=O)C(C)OC(C)=O","CCOC(=O)C(C)OC(C)=O",null,"CCOC(=O)C(C)OC(C)=O","CCOC(=O)C(C)OC(C)=O"]
[3309,"2987-46-4","N#CSc1ccc(N)cc1","N#CSc1ccc(cc1)N",null,"N#CSc1ccc(N)cc1","N#CSc1ccc(cc1)N",null,"N#CSc1ccc(N)cc1","N#CSc1ccc(cc1)N",null,"N#CSc1ccc(N)cc1","N#CSc1ccc(cc1)N"]
[3310,"2993-20-6","Nc1nc2ncnc-2c(C(F)(F)F)[nH]1","Nc1[nH]c(c2-c(n1)ncn2)C(F)(F)F",null,"Nc1nc(C(F)(F)F)c2[nH]cnc2n1","Nc1nc2c(c(n1)C(F)(F)F)[nH]cn2",{"$nulls":4},"NC1=NC2=NC=NC2C(C(F)(F)F)=N1","NC=1N=C(C2C(N1)=NC=N2)C(F)(F)F"]
[3311,"3004-70-4","CCN(CC)c1nc(NC(C)C)nc(OC)n1","CCN(CC)c1nc(nc(n1)NC(C)C)OC",null,"CCN(CC)c1nc(NC(C)C)nc(OC)n1","CCN(CC)c1nc(nc(n1)NC(C)C)OC",null,"CCN(CC)c1nc(NC(C)C)nc(OC)n1","CCN(CC)c1nc(nc(n1)NC(C)C)OC",null,"CCN(CC)c1nc(NC(C)C)nc(OC)n1","CCN(CC)c1nc(nc(n1)NC(C)C)OC"]
[3312,"3004-71-5","CNc1nc(Cl)nc(NC(C)C)n1","CNc1nc(nc(n1)Cl)NC(C)C",null,"CNc1nc(Cl)nc(NC(C)C)n1","CNc1nc(nc(n1)Cl)NC(C)C",null,"CNc1nc(Cl)nc(NC(C)C)n1","CNc1nc(nc(n1)Cl)NC(C)C",null,"CNc1nc(Cl)nc(NC(C)C)n1","CNc1nc(nc(n1)Cl)NC(C)C"]
[3313,"3011-34-5","O=Cc1ccc(O)c([N+](=O)[O-])c1","O=Cc1cc(c(cc1)O)[N+](=O)[O-]",null,"O=Cc1ccc(O)c([N+](=O)[O-])c1","O=Cc1cc(c(cc1)O)[N+](=O)[O-]",null,"O=Cc1ccc(O)c([N+](=O)[O-])c1","O=Cc1cc(c(cc1)O)[N+](=O)[O-]",null,"O=Cc1ccc(O)c([N+](=O)[O-])c1","O=Cc1cc(c(cc1)O)[N+](=O)[O-]"]
[3314,"3017-95-6","CC(Br)CCl","CC(Br)CCl",null,"CC(Br)CCl","CC(Br)CCl",null,"CC(Br)CCl","CC(Br)CCl",null,"CC(Br)CCl","CC(Br)CCl"]
[3315,"3029-48-9","CC(=O)CSC#N","CC(=O)CSC#N",{"$nulls":4},"CC(=O)CSC#N","CC(=O)CSC#N",null,"CC(=O)CSC#N","CC(=O)CSC#N"]
[3316,"3032-55-1","CC(CO)(CO)CO","CC(CO)(CO)CO","O[N+]([O-])=O(3)","CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]",null,"CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]",null,"CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]"]
[3317,"3035-45-8",{"$nulls":3},"CNc1nc(NC(C)C)nc(OC)n1","CNc1nc(nc(n1)NC(C)C)OC",{"$nulls":4},"CNc1nc(NC(C)C)nc(OC)n1","CNc1nc(nc(n1)NC(C)C)OC"]
[3318,"3042-84-0","Nc1cnn(-c2ccccc2)c(=O)c1Br","Nc1c(c(n(nc1)-c2ccccc2)=O)Br",null,"Nc1cnn(-c2ccccc2)c(=O)c1Br","Nc1c(c(n(nc1)-c2ccccc2)=O)Br",null,"Nc1cnn(-c2ccccc2)c(=O)c1Br","Nc1c(c(n(nc1)-c2ccccc2)=O)Br",null,"Nc1cnn(-c2ccccc2)c(=O)c1Br","Nc1c(c(n(nc1)-c2ccccc2)=O)Br"]
[3319,"3058-01-3",{"$nulls":3},"CC(CCC(=O)O)CC(=O)O","CC(CCC(=O)O)CC(=O)O"]
[3320,"3060-46-6","CNC(CC(C)C)C(=O)O","CNC(CC(C)C)C(=O)O"]
[3321,"3060-89-7","CON(C)C(=O)Nc1ccc(Br)cc1","CON(C)C(=O)Nc1ccc(cc1)Br",null,"CON(C)C(=O)Nc1ccc(Br)cc1","CON(C)C(=O)Nc1ccc(cc1)Br",null,"CON(C)C(=O)Nc1ccc(Br)cc1","CON(C)C(=O)Nc1ccc(cc1)Br",null,"CON(C)C(=O)Nc1ccc(Br)cc1","CON(C)C(=O)Nc1ccc(cc1)Br"]
[3322,"3067-19-4","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C",null,"CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C"]
[3323,"3068-88-0","CC1CC(=O)O1","CC1OC(C1)=O",null,"CC1CC(=O)O1","CC1OC(C1)=O",null,"CC1CC(=O)O1","CC1OC(C1)=O",null,"CC1CC(=O)O1","CC1OC(C1)=O"]
[3324,"3070-53-9","C=CCCCC=C","C=CCCCC=C",null,"C=CCCCC=C","C=CCCCC=C",null,"C=CCCCC=C","C=CCCCC=C",null,"C=CCCCC=C","C=CCCCC=C"]
[3325,"3073-66-3","CC1CCCC(C)(C)C1","CC1CC(CCC1)(C)C",null,"CC1CCCC(C)(C)C1","CC1CC(CCC1)(C)C",null,"CC1CCCC(C)(C)C1","CC1CC(CCC1)(C)C",null,"CC1CCCC(C)(C)C1","CC1CC(CCC1)(C)C"]
[3326,"3077-12-1",{"$nulls":3},"Cc1ccc(N(CCO)CCO)cc1","Cc1ccc(cc1)N(CCO)CCO",null,"Cc1ccc(N(CCO)CCO)cc1","Cc1ccc(cc1)N(CCO)CCO",null,"Cc1ccc(N(CCO)CCO)cc1","Cc1ccc(cc1)N(CCO)CCO"]
[3327,"3088-42-4","N#CCCNCC(=O)O","N#CCCNCC(=O)O",null,"N#CCCNCC(=O)O","N#CCCNCC(=O)O",null,"N#CCCNCC(=O)O","N#CCCNCC(=O)O",null,"N#CCCNCC(=O)O","N#CCCNCC(=O)O"]
[3328,"3107-04-8","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",null,"CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O"]
[3329,"3109-12-4",{"$nulls":3},"O=C(CCCN1CCC(O)(c2ccccc2)CC1)c1ccc(F)cc1","O=C(CCCN1CCC(CC1)(O)c2ccccc2)c3ccc(cc3)F"]
[3331,"3121-79-7","CC(C)(C)CCCO","CC(C)(C)CCCO",null,"CC(C)(C)CCCO","CC(C)(C)CCCO",{"$nulls":4},"CC(C)(C)CCCO","CC(C)(C)CCCO"]
[3332,"3130-86-7","NC(=O)CC(NC(N)=O)C(=O)O","NC(=O)CC(NC(N)=O)C(=O)O",{"$nulls":4},"N=C(O)CC(NC(=N)O)C(=O)O","N=C(O)CC(NC(=N)O)C(=O)O",null,"N=C(O)CC(NC(=N)O)C(=O)O","N=C(O)CC(NC(=N)O)C(=O)O"]
[3333,"3134-12-1",{"$nulls":3},"CN(C)C(=O)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1","CN(C)C(=O)N(C(=O)c1ccccc1)c2cc(c(cc2)Cl)Cl",{"$nulls":4},"CN(C)C(=O)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1","CN(C)C(=O)N(C(=O)c1ccccc1)c2cc(c(cc2)Cl)Cl"]
[3334,"3135-74-8","NC(=O)NCl","NC(=O)NCl",{"$nulls":4},"NC(=O)NCl","NC(=O)NCl",null,"NC(=O)NCl","NC(=O)NCl"]
[3335,"3146-41-6","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O"]
[3336,"3146-50-7","O=CC(O)C(O)C(O)C(O)C(O)CO","O=CC(O)C(O)C(O)C(O)C(O)CO",null,"O=CC(O)C(O)C(O)C(O)C(O)CO","O=CC(O)C(O)C(O)C(O)C(O)CO"]
[3337,"3146-66-5",{"$nulls":3},"C=CCC1(CCCC)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CCCC",{"$nulls":4},"C=CCC1(CCCC)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CCCC"]
[3338,"3147-53-3","O=C(O)c1cc(N=Nc2ccccc2)ccc1O","O=C(O)c1c(ccc(c1)N=Nc2ccccc2)O",null,"O=C(O)C1=CC(=NNc2ccccc2)C=CC1=O","O=C(O)C=1C(C=CC(C1)=NNc2ccccc2)=O",null,"O=C(O)c1cc(N=Nc2ccccc2)ccc1O","O=C(O)c1c(ccc(c1)N=Nc2ccccc2)O",null,"O=C(O)c1cc(N=Nc2ccccc2)ccc1O","O=C(O)c1c(ccc(c1)N=Nc2ccccc2)O"]
[3339,"3149-00-6","CCCCNC(=O)NS(=O)(=O)c1ccccc1","CCCCNC(=O)NS(=O)(=O)c1ccccc1",null,"CCCCNC(=O)NS(=O)(=O)c1ccccc1","CCCCNC(=O)NS(=O)(=O)c1ccccc1",null,"CCCCNC(=O)NS(=O)(=O)c1ccccc1","CCCCNC(=O)NS(=O)(=O)c1ccccc1",null,"CCCCNC(=O)NS(=O)(=O)c1ccccc1","CCCCNC(=O)NS(=O)(=O)c1ccccc1"]
[3340,"3153-44-4",{"$nulls":3},"COc1ccc(C(=O)CCC(=O)O)cc1","COc1ccc(cc1)C(=O)CCC(=O)O",{"$nulls":4},"COc1ccc(C(=O)CCC(=O)O)cc1","COc1ccc(cc1)C(=O)CCC(=O)O"]
[3341,"3164-99-6","CCC(NC=NN)C(=O)O","CCC(NC=NN)C(=O)O",{"$nulls":4},"CCC(NC(=N)N)C(=O)O","CCC(NC(=N)N)C(=O)O",null,"CCC(NC(=N)N)C(=O)O","CCC(NC(=N)N)C(=O)O"]
[3342,"3172-00-7","O=c1ccc(Br)ccc1O","O=c1c(ccc(cc1)Br)O",{"$nulls":4},"O=c1ccc(Br)ccc1O","O=c1c(ccc(cc1)Br)O",null,"O=c1ccc(Br)ccc1O","O=c1c(ccc(cc1)Br)O"]
[3343,"3185-99-7","Cc1ccc(S(C)(=O)=O)cc1","Cc1ccc(cc1)S(C)(=O)=O",null,"Cc1ccc(S(C)(=O)=O)cc1","Cc1ccc(cc1)S(C)(=O)=O",null,"Cc1ccc(S(C)(=O)=O)cc1","Cc1ccc(cc1)S(C)(=O)=O",null,"Cc1ccc(S(C)(=O)=O)cc1","Cc1ccc(cc1)S(C)(=O)=O"]
[3344,"3192-10-7","C=CS(=O)(=O)Nc1ccccc1","C=CS(=O)(=O)Nc1ccccc1"]
[3345,"3194-55-6","BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br","BrC1C(CCC(C(CCC(C(CC1)Br)Br)Br)Br)Br",null,"BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br","BrC1C(CCC(C(CCC(C(CC1)Br)Br)Br)Br)Br",null,"BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br","BrC1C(CCC(C(CCC(C(CC1)Br)Br)Br)Br)Br",null,"BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br","BrC1C(CCC(C(CCC(C(CC1)Br)Br)Br)Br)Br"]
[3346,"3196-84-7",{"$nulls":9},"CCCOC(=O)C(C)(C)O","CCCOC(=O)C(C)(C)O"]
[3347,"3196-85-8","CC(C)COC(=O)C(C)(C)O","CC(C)COC(=O)C(C)(C)O",{"$nulls":4},"CC(C)COC(=O)C(C)(C)O","CC(C)COC(=O)C(C)(C)O",null,"CC(C)COC(=O)C(C)(C)O","CC(C)COC(=O)C(C)(C)O"]
[3348,"3202-84-4","O=C(c1ccccc1O)N1CCOCC1","O=C(c1c(cccc1)O)N2CCOCC2",null,"O=C(c1ccccc1O)N1CCOCC1","O=C(c1c(cccc1)O)N2CCOCC2",{"$nulls":4},"O=C(c1ccccc1O)N1CCOCC1","O=C(c1c(cccc1)O)N2CCOCC2"]
[3349,"3209-15-2","Cc1cc(O)c(C(=O)O)cc1O","Cc1c(cc(c(c1)O)C(=O)O)O"]
[3350,"3209-22-1","O=[N+]([O-])c1cccc(Cl)c1Cl","O=[N+]([O-])c1c(c(ccc1)Cl)Cl",null,"O=[N+]([O-])c1cccc(Cl)c1Cl","O=[N+]([O-])c1c(c(ccc1)Cl)Cl",null,"O=[N+]([O-])c1cccc(Cl)c1Cl","O=[N+]([O-])c1c(c(ccc1)Cl)Cl",null,"O=[N+]([O-])c1cccc(Cl)c1Cl","O=[N+]([O-])c1c(c(ccc1)Cl)Cl"]
[3351,"3209-71-0","O=C(O)c1ccon1","O=C(O)c1nocc1",{"$nulls":4},"O=C(O)c1ccon1","O=C(O)c1nocc1",null,"O=C(O)c1ccon1","O=C(O)c1nocc1"]
[3352,"3213-22-7"]
[3353,"3228-04-4","Cc1cccc(C(C)C)c1O","Cc1c(c(ccc1)C(C)C)O",null,"Cc1cccc(C(C)C)c1O","Cc1c(c(ccc1)C(C)C)O",null,"Cc1cccc(C(C)C)c1O","Cc1c(c(ccc1)C(C)C)O",null,"Cc1cccc(C(C)C)c1O","Cc1c(c(ccc1)C(C)C)O"]
[3354,"3229-00-3","BrCC(CBr)(CBr)CBr","BrCC(CBr)(CBr)CBr",null,"BrCC(CBr)(CBr)CBr","BrCC(CBr)(CBr)CBr",null,"BrCC(CBr)(CBr)CBr","BrCC(CBr)(CBr)CBr",null,"BrCC(CBr)(CBr)CBr","BrCC(CBr)(CBr)CBr"]
[3355,"3238-40-2","O=C(O)c1ccc(C(=O)O)o1","O=C(O)c1oc(cc1)C(=O)O",null,"O=C(O)c1ccc(C(=O)O)o1","O=C(O)c1oc(cc1)C(=O)O",null,"O=C(O)c1ccc(C(=O)O)o1","O=C(O)c1oc(cc1)C(=O)O",null,"O=C(O)c1ccc(C(=O)O)o1","O=C(O)c1oc(cc1)C(=O)O"]
[3356,"3244-90-4","CCCOP(=O)(OCCC)OP(=S)(OCCC)OCCC","CCCOP(=O)(OCCC)OP(=S)(OCCC)OCCC",null,"CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC","CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC",{"$nulls":4},"CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC","CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC"]
[3357,"3248-05-3","Cc1ccnc2c1ccc1c(C)ccnc12","Cc1c2c(ncc1)c3c(cc2)c(C)ccn3",null,"Cc1ccnc2c1ccc1c(C)ccnc12","Cc1c2c(ncc1)c3c(cc2)c(C)ccn3",null,"Cc1ccnc2c1ccc1c(C)ccnc12","Cc1c2c(ncc1)c3c(cc2)c(C)ccn3",null,"Cc1ccnc2c1ccc1c(C)ccnc12","Cc1c2c(ncc1)c3c(cc2)c(C)ccn3"]
[3358,"3248-28-0","CCC(=O)OOC(=O)CC","CCC(=O)OOC(=O)CC",null,"CCC(=O)OOC(=O)CC","CCC(=O)OOC(=O)CC",null,"CCC(=O)OOC(=O)CC","CCC(=O)OOC(=O)CC",null,"CCC(=O)OOC(=O)CC","CCC(=O)OOC(=O)CC"]
[3359,"3260-51-3"]
[3360,"3260-52-4"]
[3361,"3268-87-9","Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",null,"Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",null,"Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",null,"Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl"]
[3362,"3283-26-9"]
[3363,"3290-92-4","CCC(CO)(CO)CO","CCC(CO)(CO)CO","CC(=C)C(O)=O(3)","C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C","C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C",null,"C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C","C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C",null,"C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C","C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C"]
[3364,"3296-90-0",{"$nulls":3},"OCC(CO)(CBr)CBr","OCC(CO)(CBr)CBr",null,"OCC(CO)(CBr)CBr","OCC(CO)(CBr)CBr",null,"OCC(CO)(CBr)CBr","OCC(CO)(CBr)CBr"]
[3365,"3299-82-9","O=C(O)C1=CCc2ccccc2C1","O=C(O)C=1Cc2c(CC1)cccc2"]
[3366,"3307-39-9","CC(Oc1ccc(Cl)cc1)C(=O)O","CC(Oc1ccc(cc1)Cl)C(=O)O",null,"CC(Oc1ccc(Cl)cc1)C(=O)O","CC(Oc1ccc(cc1)Cl)C(=O)O",null,"CC(Oc1ccc(Cl)cc1)C(=O)O","CC(Oc1ccc(cc1)Cl)C(=O)O",null,"CC(Oc1ccc(Cl)cc1)C(=O)O","CC(Oc1ccc(cc1)Cl)C(=O)O"]
[3367,"3318-78-3",{"$nulls":3},"O=C1OCCN1N=CC=Cc1ccc([N+](=O)[O-])o1","O=C1N(CCO1)N=CC=Cc2oc(cc2)[N+](=O)[O-]"]
[3368,"3324-71-8","CN(C)C(=N)N","CN(C)C(=N)N",null,"CN(C)C(=N)N","CN(C)C(=N)N",null,"CN(C)C(=N)N","CN(C)C(=N)N",null,"CN(C)C(=N)N","CN(C)C(=N)N"]
[3369,"3333-23-1","O=C(O)C1=CCCc2ccccc21","O=C(O)C=1c2c(CCC1)cccc2",{"$nulls":4},"O=C(O)C1=CCCc2ccccc21","O=C(O)C=1c2c(CCC1)cccc2",null,"O=C(O)C1=CCCc2ccccc21","O=C(O)C=1c2c(CCC1)cccc2"]
[3370,"3337-71-1","COC(=O)NS(=O)(=O)c1ccc(N)cc1","COC(=O)NS(=O)(=O)c1ccc(cc1)N",null,"COC(=O)NS(=O)(=O)c1ccc(N)cc1","COC(=O)NS(=O)(=O)c1ccc(cc1)N",null,"COC(=O)NS(=O)(=O)c1ccc(N)cc1","COC(=O)NS(=O)(=O)c1ccc(cc1)N",null,"COC(=O)NS(=O)(=O)c1ccc(N)cc1","COC(=O)NS(=O)(=O)c1ccc(cc1)N"]
[3371,"3343-95-1","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",null,"OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO"]
[3372,"3349-62-0","ON=C1C=CCCC1","ON=C1CCCC=C1",{"$nulls":4},"ON=C1C=CCCC1","ON=C1CCCC=C1",null,"ON=C1C=CCCC1","ON=C1CCCC=C1"]
[3373,"3380-34-5","Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl","Oc1c(ccc(c1)Cl)Oc2c(cc(cc2)Cl)Cl",null,"Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl","Oc1c(ccc(c1)Cl)Oc2c(cc(cc2)Cl)Cl",null,"Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl","Oc1c(ccc(c1)Cl)Oc2c(cc(cc2)Cl)Cl",null,"Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl","Oc1c(ccc(c1)Cl)Oc2c(cc(cc2)Cl)Cl"]
[3374,"3383-96-8","COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1","COP(=S)(OC)Oc1ccc(cc1)Sc2ccc(cc2)OP(=S)(OC)OC",null,"COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1","COP(=S)(OC)Oc1ccc(cc1)Sc2ccc(cc2)OP(=S)(OC)OC",null,"COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1","COP(=S)(OC)Oc1ccc(cc1)Sc2ccc(cc2)OP(=S)(OC)OC"]
[3375,"3386-97-8","C=CCCN=C=S","C=CCCN=C=S",null,"C=CCCN=C=S","C=CCCN=C=S",null,"C=CCCN=C=S","C=CCCN=C=S",null,"C=CCCN=C=S","C=CCCN=C=S"]
[3376,"3387-87-9","NC(Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O"]
[3377,"3397-62-4","Nc1nc(N)nc(Cl)n1","Nc1nc(nc(n1)N)Cl",null,"Nc1nc(N)nc(Cl)n1","Nc1nc(nc(n1)N)Cl",null,"Nc1nc(N)nc(Cl)n1","Nc1nc(nc(n1)N)Cl",null,"Nc1nc(N)nc(Cl)n1","Nc1nc(nc(n1)N)Cl"]
[3378,"3403-77-8","CCC(=O)NCCNC(=O)CC","CCC(=O)NCCNC(=O)CC",{"$nulls":7},"CC(CCC(C)C(N)=O)C(N)=O","CC(CCC(C)C(N)=O)C(N)=O"]
[3379,"3408-30-8","O=C(O)C1C=Cc2ccccc2C1","O=C(O)C1Cc2c(C=C1)cccc2",null,"O=C(O)C1C=Cc2ccccc2C1","O=C(O)C1Cc2c(C=C1)cccc2"]
[3380,"3416-26-0","Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1","Cc1c(c(ccc1)C)NC(=O)CN2CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F",null,"Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1","Cc1c(c(ccc1)C)NC(=O)CN2CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F",null,"Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1","Cc1c(c(ccc1)C)NC(=O)CN2CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F",null,"Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1","Cc1c(c(ccc1)C)NC(=O)CN2CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F"]
[3381,"3424-60-0","NC(=O)CCCC(N)=O","NC(=O)CCCC(N)=O",null,"NC(=O)CCCC(N)=O","NC(=O)CCCC(N)=O",null,"NC(=O)CCCC(N)=O","NC(=O)CCCC(N)=O",null,"NC(=O)CCCC(N)=O","NC(=O)CCCC(N)=O"]
[3382,"3424-82-6","ClC(Cl)=C(c1ccc(Cl)cc1)c1ccccc1Cl","ClC(Cl)=C(c1ccc(cc1)Cl)c2c(cccc2)Cl",null,"ClC(Cl)=C(c1ccc(Cl)cc1)c1ccccc1Cl","ClC(Cl)=C(c1ccc(cc1)Cl)c2c(cccc2)Cl",null,"ClC(Cl)=C(c1ccc(Cl)cc1)c1ccccc1Cl","ClC(Cl)=C(c1ccc(cc1)Cl)c2c(cccc2)Cl",null,"ClC(Cl)=C(c1ccc(Cl)cc1)c1ccccc1Cl","ClC(Cl)=C(c1ccc(cc1)Cl)c2c(cccc2)Cl"]
[3383,"3434-54-6",{"$nulls":3},"Cn1c(=O)c2n[se]nc2n(C)c1=O","Cn1c(n(c2c(c1=O)n[se]n2)C)=O",{"$nulls":4},"Cn1c(=O)c2n[se]nc2n(C)c1=O","Cn1c(n(c2c(c1=O)n[se]n2)C)=O"]
[3384,"3439-02-9","O=C(O)c1cc(Br)co1","O=C(O)c1occ(c1)Br",{"$nulls":4},"O=C(O)c1cc(Br)co1","O=C(O)c1occ(c1)Br",null,"O=C(O)c1cc(Br)co1","O=C(O)c1occ(c1)Br"]
[3385,"3452-09-3","C#CCCCCCCC","C#CCCCCCCC",null,"C#CCCCCCCC","C#CCCCCCCC",null,"C#CCCCCCCC","C#CCCCCCCC",null,"C#CCCCCCCC","C#CCCCCCCC"]
[3386,"3458-28-4","O=CC(O)C(O)C(O)C(O)CO","O=CC(O)C(O)C(O)C(O)CO",null,"OCC1OC(O)C(O)C(O)C1O","OCC1C(C(C(C(O1)O)O)O)O",null,"OCC1OC(O)C(O)C(O)C1O","OCC1C(C(C(C(O1)O)O)O)O",null,"OCC1OC(O)C(O)C(O)C1O","OCC1C(C(C(C(O1)O)O)O)O"]
[3387,"3478-94-2","CC1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1","CC1N(CCCC1)CCCOC(=O)c2cc(c(cc2)Cl)Cl",null,"CC1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1","CC1N(CCCC1)CCCOC(=O)c2cc(c(cc2)Cl)Cl",null,"CC1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1","CC1N(CCCC1)CCCOC(=O)c2cc(c(cc2)Cl)Cl",null,"CC1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1","CC1N(CCCC1)CCCOC(=O)c2cc(c(cc2)Cl)Cl"]
[3388,"3484-46-6","C=C(C)C1(O)C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2O","C=C(C)C1(C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O)O",null,"C=C(C)C1(O)C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2O","C=C(C)C1(C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O)O",null,"C=C(C)C1(O)C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2O","C=C(C)C1(C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O)O",null,"C=C(C)C1(O)C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2O","C=C(C)C1(C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O)O"]
[3389,"3495-42-9","Clc1c(Cl)c(Cl)c2nccnc2c1Cl","Clc1c(c2c(c(c1Cl)Cl)nccn2)Cl",null,"Clc1c(Cl)c(Cl)c2nccnc2c1Cl","Clc1c(c2c(c(c1Cl)Cl)nccn2)Cl",null,"Clc1c(Cl)c(Cl)c2nccnc2c1Cl","Clc1c(c2c(c(c1Cl)Cl)nccn2)Cl",null,"Clc1c(Cl)c(Cl)c2nccnc2c1Cl","Clc1c(c2c(c(c1Cl)Cl)nccn2)Cl"]
[3390,"3518-66-9","CC(Cl)S(=O)(=O)Cl","CC(Cl)S(=O)(=O)Cl",{"$nulls":4},"CC(Cl)S(=O)(=O)Cl","CC(Cl)S(=O)(=O)Cl",null,"CC(Cl)S(=O)(=O)Cl","CC(Cl)S(=O)(=O)Cl"]
[3391,"3522-94-9","CC(C)CCC(C)(C)C","CC(C)CCC(C)(C)C",null,"CC(C)CCC(C)(C)C","CC(C)CCC(C)(C)C",null,"CC(C)CCC(C)(C)C","CC(C)CCC(C)(C)C",null,"CC(C)CCC(C)(C)C","CC(C)CCC(C)(C)C"]
[3392,"3544-94-3",{"$nulls":3},"O=C([O-])CCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc([N+](=O)[O-])cc1","O=C(O)CCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-]","[Na+](1)",{"$nulls":3},"O=C(O)CCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc([N+](=O)[O-])cc1","O=C(O)CCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-]"]
[3393,"3553-80-8","CCOC(=O)N(CC)CC","CCOC(=O)N(CC)CC",null,"CCOC(=O)N(CC)CC","CCOC(=O)N(CC)CC",null,"CCOC(=O)N(CC)CC","CCOC(=O)N(CC)CC",null,"CCOC(=O)N(CC)CC","CCOC(=O)N(CC)CC"]
[3394,"3555-18-8","CCC(C)c1ccc(O)c([N+](=O)[O-])c1","CCC(C)c1cc(c(cc1)O)[N+](=O)[O-]",null,"CCC(C)c1ccc(O)c([N+](=O)[O-])c1","CCC(C)c1cc(c(cc1)O)[N+](=O)[O-]",null,"CCC(C)c1ccc(O)c([N+](=O)[O-])c1","CCC(C)c1cc(c(cc1)O)[N+](=O)[O-]",null,"CCC(C)c1ccc(O)c([N+](=O)[O-])c1","CCC(C)c1cc(c(cc1)O)[N+](=O)[O-]"]
[3395,"3555-86-0","O=C(c1ccccc1)c1c(O)cc(O)cc1O","O=C(c1ccccc1)c2c(cc(cc2O)O)O",null,"O=C(c1ccccc1)c1c(O)cc(O)cc1O","O=C(c1ccccc1)c2c(cc(cc2O)O)O",null,"O=C(c1ccccc1)c1c(O)cc(O)cc1O","O=C(c1ccccc1)c2c(cc(cc2O)O)O",null,"O=C(c1ccccc1)c1c(O)cc(O)cc1O","O=C(c1ccccc1)c2c(cc(cc2O)O)O"]
[3396,"3566-00-5",{"$nulls":3},"CNC(=O)Oc1ccc(SC)c(C)c1","CNC(=O)Oc1cc(c(cc1)SC)C",{"$nulls":4},"CNC(=O)Oc1ccc(SC)c(C)c1","CNC(=O)Oc1cc(c(cc1)SC)C"]
[3397,"3568-49-8","OCC1OC2(COC3(CO2)OC(CO)C(O)C3O)C(O)C1O","OCC1C(C(C2(O1)OCC3(OC2)C(C(C(O3)CO)O)O)O)O",null,"OCC1OC2(COC3(CO2)OC(CO)C(O)C3O)C(O)C1O","OCC1C(C(C2(O1)OCC3(OC2)C(C(C(O3)CO)O)O)O)O"]
[3398,"3571-94-6",{"$nulls":3},"CC(C)Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CC(C)Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},"CC(C)Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CC(C)Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N"]
[3399,"3572-43-8",{"$nulls":3},"CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1","CN(Cc1c(c(cc(c1)Br)Br)N)C2CCCCC2"]
[3400,"3576-64-5","O=C(C(Cl)Cl)N(CCO)Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1","O=C(C(Cl)Cl)N(CCO)Cc1ccc(cc1)Oc2ccc(cc2)[N+](=O)[O-]",null,"O=C(C(Cl)Cl)N(CCO)Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1","O=C(C(Cl)Cl)N(CCO)Cc1ccc(cc1)Oc2ccc(cc2)[N+](=O)[O-]",null,"CN(C)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1","CN(C)CCOC(C)(c1ccccc1)c2ccc(cc2)Cl",null,"O=C(C(Cl)Cl)N(CCO)Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1","O=C(C(Cl)Cl)N(CCO)Cc1ccc(cc1)Oc2ccc(cc2)[N+](=O)[O-]"]
[3401,"3578-47-0","CCCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCCC(C(=O)O)C(=O)O",{"$nulls":4},"CCCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCCC(C(=O)O)C(=O)O",null,"CCCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCCC(C(=O)O)C(=O)O"]
[3402,"3588-17-8","O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O",null,"O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O",null,"O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O",null,"O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O"]
[3403,"3615-21-2",{"$nulls":3},"FC(F)(F)c1nc2c(Cl)c(Cl)ccc2[nH]1","FC(F)(F)c1[nH]c2c(n1)c(Cl)c(Cl)cc2",null,"FC(F)(F)c1nc2c(Cl)c(Cl)ccc2[nH]1","FC(F)(F)c1[nH]c2c(n1)c(Cl)c(Cl)cc2",null,"FC(F)(F)c1nc2c(Cl)c(Cl)ccc2[nH]1","FC(F)(F)c1[nH]c2c(n1)c(Cl)c(Cl)cc2"]
[3404,"3625-25-0","CCC1(C2=CC3CCC(C2)C3)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C=2CC3CCC(C2)C3",null,"CCC1(C2=CC3CCC(C2)C3)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C=2CC3CCC(C2)C3",null,"CCC1(C2=CC3CCC(C2)C3)C(O)=NC(=O)N=C1O","CCC1(C(=NC(N=C1O)=O)O)C=2CC3CCC(C2)C3",null,"CCC1(C2=CC3CCC(C2)C3)C(O)=NC(=O)N=C1O","CCC1(C(=NC(N=C1O)=O)O)C=2CC3CCC(C2)C3"]
[3405,"3639-21-2","CCC(O)(CC)C(=O)O","CCC(O)(CC)C(=O)O",null,"CCC(O)(CC)C(=O)[O-]","CCC(O)(CC)C(=O)O",null,"CCC(O)(CC)C(=O)O","CCC(O)(CC)C(=O)O",null,"CCC(O)(CC)C(=O)O","CCC(O)(CC)C(=O)O"]
[3406,"3641-51-8","CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O",null,"CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O",null,"CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O",null,"CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O"]
[3407,"3646-68-2","NC(C(=O)O)C(O)C(O)C(O)CO","NC(C(=O)O)C(O)C(O)C(O)CO",null,"NC(C(=O)O)C(O)C(O)C(O)CO","NC(C(=O)O)C(O)C(O)C(O)CO",null,"NC(C(=O)O)C(O)C(O)C(O)CO","NC(C(=O)O)C(O)C(O)C(O)CO",null,"NC(C(=O)O)C(O)C(O)C(O)CO","NC(C(=O)O)C(O)C(O)C(O)CO"]
[3408,"3647-71-0","c1ccc(CCNCc2ccccc2)cc1","c1ccc(cc1)CCNCc2ccccc2",null,"c1ccc(CCNCc2ccccc2)cc1","c1ccc(cc1)CCNCc2ccccc2",null,"c1ccc(CCNCc2ccccc2)cc1","c1ccc(cc1)CCNCc2ccccc2",null,"c1ccc(CCNCc2ccccc2)cc1","c1ccc(cc1)CCNCc2ccccc2"]
[3409,"3663-34-1","CCc1ccc(NC(C)=O)cc1","CCc1ccc(cc1)NC(C)=O",null,"CCc1ccc(NC(C)=O)cc1","CCc1ccc(cc1)NC(C)=O",null,"CCc1ccc(NC(C)=O)cc1","CCc1ccc(cc1)NC(C)=O",null,"CCc1ccc(NC(C)=O)cc1","CCc1ccc(cc1)NC(C)=O"]
[3410,"3669-80-5","O=C(O)CCCCCCCCCCO","O=C(O)CCCCCCCCCCO",null,"O=C([O-])CCCCCCCCCCO","O=C(O)CCCCCCCCCCO",null,"O=C(O)CCCCCCCCCCO","O=C(O)CCCCCCCCCCO",null,"O=C(O)CCCCCCCCCCO","O=C(O)CCCCCCCCCCO"]
[3411,"3680-32-8",{"$nulls":3},"COC1=CC(=O)CC(C)C12Oc1cc(OC)cc(OC)c1C2=O","COC=1C2(C(CC(C1)=O)C)C(c3c(O2)cc(OC)cc3OC)=O"]
[3412,"3688-37-7","CCOC(C)C(=O)C=O","CCOC(C)C(=O)C=O",null,"CCOC(C)C(=O)C=O","CCOC(C)C(=O)C=O"]
[3413,"3689-24-5","CCOP(=S)(OCC)OP(=S)(OCC)OCC","CCOP(=S)(OCC)OP(=S)(OCC)OCC",null,"CCOP(=S)(OCC)OP(=S)(OCC)OCC","CCOP(=S)(OCC)OP(=S)(OCC)OCC",null,"CCOP(=S)(OCC)OP(=S)(OCC)OCC","CCOP(=S)(OCC)OP(=S)(OCC)OCC",null,"CCOP(=S)(OCC)OP(=S)(OCC)OCC","CCOP(=S)(OCC)OP(=S)(OCC)OCC"]
[3414,"3691-35-8","O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccc(Cl)cc1","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccc(cc4)Cl",null,"O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccc(Cl)cc1","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccc(cc4)Cl",null,"O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccc(Cl)cc1","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccc(cc4)Cl",null,"O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccc(Cl)cc1","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccc(cc4)Cl"]
[3415,"3697-24-3","Cc1cc2ccccc2c2ccc3ccccc3c12","Cc1c2c(c3c(c1)cccc3)ccc4c2cccc4",null,"Cc1cc2ccccc2c2ccc3ccccc3c12","Cc1c2c(c3c(c1)cccc3)ccc4c2cccc4",null,"Cc1cc2ccccc2c2ccc3ccccc3c12","Cc1c2c(c3c(c1)cccc3)ccc4c2cccc4",null,"Cc1cc2ccccc2c2ccc3ccccc3c12","Cc1c2c(c3c(c1)cccc3)ccc4c2cccc4"]
[3416,"3697-27-6","Cc1c(C)c2c3ccccc3ccc2c2ccccc12","Cc1c2c(c3c(c1C)c4c(cccc4)cc3)cccc2",null,"Cc1c(C)c2c3ccccc3ccc2c2ccccc12","Cc1c2c(c3c(c1C)c4c(cccc4)cc3)cccc2",null,"Cc1c(C)c2c3ccccc3ccc2c2ccccc12","Cc1c2c(c3c(c1C)c4c(cccc4)cc3)cccc2",null,"Cc1c(C)c2c3ccccc3ccc2c2ccccc12","Cc1c2c(c3c(c1C)c4c(cccc4)cc3)cccc2"]
[3417,"3697-30-1","CCc1c2ccccc2cc2c1ccc1ccccc12","CCc1c2c(cc3c1cccc3)c4c(cc2)cccc4",null,"CCc1c2ccccc2cc2c1ccc1ccccc12","CCc1c2c(cc3c1cccc3)c4c(cc2)cccc4",null,"CCc1c2ccccc2cc2c1ccc1ccccc12","CCc1c2c(cc3c1cccc3)c4c(cc2)cccc4",null,"CCc1c2ccccc2cc2c1ccc1ccccc12","CCc1c2c(cc3c1cccc3)c4c(cc2)cccc4"]
[3418,"3701-01-7","NS(=O)(=O)c1cccc(S(N)(=O)=O)c1","NS(=O)(=O)c1cc(ccc1)S(N)(=O)=O",null,"NS(=O)(=O)c1cccc(S(N)(=O)=O)c1","NS(=O)(=O)c1cc(ccc1)S(N)(=O)=O",null,"NS(=O)(=O)c1cccc(S(N)(=O)=O)c1","NS(=O)(=O)c1cc(ccc1)S(N)(=O)=O",null,"NS(=O)(=O)c1cccc(S(N)(=O)=O)c1","NS(=O)(=O)c1cc(ccc1)S(N)(=O)=O"]
[3419,"3718-65-8","Cc1cc(C)c[n+]([O-])c1","Cc1c[n+](cc(c1)C)[O-]",null,"Cc1cc(C)c[n+]([O-])c1","Cc1c[n+](cc(c1)C)[O-]",null,"Cc1cc(C)c[n+]([O-])c1","Cc1c[n+](cc(c1)C)[O-]",null,"Cc1cc(C)c[n+]([O-])c1","Cc1c[n+](cc(c1)C)[O-]"]
[3420,"3724-65-0","CC=CC(=O)O","CC=CC(=O)O",null,"CC=CC(=O)O","CC=CC(=O)O",null,"CC=CC(=O)O","CC=CC(=O)O",null,"CC=CC(=O)O","CC=CC(=O)O"]
[3421,"3731-51-9","NCc1ccccn1","NCc1ncccc1",null,"NCc1ccccn1","NCc1ncccc1",null,"NCc1ccccn1","NCc1ncccc1",null,"NCc1ccccn1","NCc1ncccc1"]
[3422,"3731-53-1","NCc1ccncc1","NCc1ccncc1",null,"NCc1ccncc1","NCc1ccncc1",null,"NCc1ccncc1","NCc1ccncc1",null,"NCc1ccncc1","NCc1ccncc1"]
[3423,"3734-95-0","CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N","CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N",null,"CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N","CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N",null,"CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N","CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N",null,"CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N","CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N"]
[3424,"3735-01-1",{"$nulls":3},"CCOP(=S)(OCC)Oc1ccc(N)cc1","CCOP(=S)(OCC)Oc1ccc(cc1)N",{"$nulls":4},"CCOP(=S)(OCC)Oc1ccc(N)cc1","CCOP(=S)(OCC)Oc1ccc(cc1)N"]
[3425,"3737-76-6","O=C1c2ccccc2C(=O)c2c1ccc1c(=O)c3c(ccc4ccccc43)[nH]c21","O=C1c2c(C(c3c1cccc3)=O)c4c(cc2)c(=O)c5c6c(ccc5[nH]4)cccc6",null,"O=C1c2ccccc2C(=O)c2c1ccc1c(=O)c3c(ccc4ccccc43)[nH]c21","O=C1c2c(C(c3c1cccc3)=O)c4c(cc2)c(=O)c5c6c(ccc5[nH]4)cccc6",null,"O=C1c2ccccc2C(=O)c2c1ccc1c(O)c3c(ccc4ccccc43)nc21","O=C1c2c(C(c3c1cccc3)=O)c4c(cc2)c(O)c5c6c(ccc5n4)cccc6",null,"O=C1c2ccccc2C(=O)c2c1ccc1c(O)c3c(ccc4ccccc43)nc21","O=C1c2c(C(c3c1cccc3)=O)c4c(cc2)c(O)c5c6c(ccc5n4)cccc6"]
[3426,"3740-92-9","Clc1cc(Cl)nc(-c2ccccc2)n1","Clc1nc(nc(c1)Cl)-c2ccccc2",null,"Clc1cc(Cl)nc(-c2ccccc2)n1","Clc1nc(nc(c1)Cl)-c2ccccc2",null,"Clc1cc(Cl)nc(-c2ccccc2)n1","Clc1nc(nc(c1)Cl)-c2ccccc2",null,"Clc1cc(Cl)nc(-c2ccccc2)n1","Clc1nc(nc(c1)Cl)-c2ccccc2"]
[3427,"3741-00-2","CCCCCC1CCCC1","CCCCCC1CCCC1",null,"CCCCCC1CCCC1","CCCCCC1CCCC1",null,"CCCCCC1CCCC1","CCCCCC1CCCC1",null,"CCCCCC1CCCC1","CCCCCC1CCCC1"]
[3428,"3741-38-6","O=S1OCCO1","O=S1OCCO1",null,"O=S1OCCO1","O=S1OCCO1",null,"O=S1OCCO1","O=S1OCCO1",null,"O=S1OCCO1","O=S1OCCO1"]
[3429,"3751-95-9"]
[3430,"3766-60-7","C#CC(C)N(C)C(=O)Nc1ccc(Cl)cc1","C#CC(C)N(C)C(=O)Nc1ccc(cc1)Cl",null,"C#CC(C)N(C)C(=O)Nc1ccc(Cl)cc1","C#CC(C)N(C)C(=O)Nc1ccc(cc1)Cl",null,"C#CC(C)N(C)C(=O)Nc1ccc(Cl)cc1","C#CC(C)N(C)C(=O)Nc1ccc(cc1)Cl",null,"C#CC(C)N(C)C(=O)Nc1ccc(Cl)cc1","C#CC(C)N(C)C(=O)Nc1ccc(cc1)Cl"]
[3431,"3766-81-2",{"$nulls":3},"CCC(C)c1ccccc1OC(=O)NC","CCC(C)c1c(cccc1)OC(=O)NC",{"$nulls":4},"CCC(C)c1ccccc1OC(=O)NC","CCC(C)c1c(cccc1)OC(=O)NC"]
[3432,"3771-38-8","Cc1cc(N(CCO)CCO)ccc1N=Nc1ccccc1","Cc1c(ccc(c1)N(CCO)CCO)N=Nc2ccccc2","[2H]IS(1)","Cc1cc(N(CCO)CCO)ccc1N=Nc1ccccc1","Cc1c(ccc(c1)N(CCO)CCO)N=Nc2ccccc2","[2H]IS(1)"]
[3433,"3772-76-7","COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C",null,"COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C",null,"COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C",null,"COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C"]
[3434,"3811-04-9","[O-][Cl+2]([O-])[O-]","[O-][Cl+2]([O-])[O-]","[K+](1)","[O-][Cl+2]([O-])[O-]","[O-][Cl+2]([O-])[O-]","[K+](1)","[O-][Cl+2]([O-])[O-]","[O-][Cl+2]([O-])[O-]","[K+](1)","[O-][Cl+2]([O-])[O-]","[O-][Cl+2]([O-])[O-]","[K+](1)"]
[3435,"3811-49-2","COP1(=S)OCc2ccccc2O1","COP1(Oc2c(CO1)cccc2)=S",null,"COP1(=S)OCc2ccccc2O1","COP1(Oc2c(CO1)cccc2)=S",null,"COP1(=S)OCc2ccccc2O1","COP1(Oc2c(CO1)cccc2)=S",null,"COP1(=S)OCc2ccccc2O1","COP1(Oc2c(CO1)cccc2)=S"]
[3436,"3813-05-6","O=C(O)Cn1c(=O)sc2cccc(Cl)c21","O=C(O)Cn1c2c(sc1=O)cccc2Cl",null,"O=C(O)Cn1c(=O)sc2cccc(Cl)c21","O=C(O)Cn1c2c(sc1=O)cccc2Cl",null,"O=C(O)Cn1c(=O)sc2cccc(Cl)c21","O=C(O)Cn1c2c(sc1=O)cccc2Cl",null,"O=C(O)Cn1c(=O)sc2cccc(Cl)c21","O=C(O)Cn1c2c(sc1=O)cccc2Cl"]
[3437,"3815-86-9","NNC(=O)CC(=O)NN","NNC(=O)CC(=O)NN",null,"NNC(=O)CC(=O)NN","NNC(=O)CC(=O)NN",null,"NNC(=O)CC(=O)NN","NNC(=O)CC(=O)NN",null,"NNC(=O)CC(=O)NN","NNC(=O)CC(=O)NN"]
[3438,"3820-67-5","O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12","O=C(OCC(O)CO)c1c(cccc1)Nc2c3c(ncc2)cc(Cl)cc3",null,"O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12","O=C(OCC(O)CO)c1c(cccc1)Nc2c3c(ncc2)cc(Cl)cc3",null,"O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12","O=C(OCC(O)CO)c1c(cccc1)Nc2c3c(ncc2)cc(Cl)cc3",null,"O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12","O=C(OCC(O)CO)c1c(cccc1)Nc2c3c(ncc2)cc(Cl)cc3"]
[3439,"3850-30-4","CC(N)C(C)(C)C","CC(N)C(C)(C)C",null,"CC([NH3+])C(C)(C)C","CC(N)C(C)(C)C",null,"CC(N)C(C)(C)C","CC(N)C(C)(C)C",null,"CC(N)C(C)(C)C","CC(N)C(C)(C)C"]
[3440,"3852-09-3","COCCC(=O)OC","COCCC(=O)OC",null,"COCCC(=O)OC","COCCC(=O)OC",null,"COCCC(=O)OC","COCCC(=O)OC",null,"COCCC(=O)OC","COCCC(=O)OC"]
[3441,"3868-12-0","NNC(=O)C(O)C(O)C(O)C(O)CO","NNC(=O)C(O)C(O)C(O)C(O)CO",null,"NNC(=O)C(O)C(O)C(O)C(O)CO","NNC(=O)C(O)C(O)C(O)C(O)CO",{"$nulls":4},"NNC(=O)C(O)C(O)C(O)C(O)CO","NNC(=O)C(O)C(O)C(O)C(O)CO"]
[3442,"3878-19-1","c1coc(-c2nc3ccccc3[nH]2)c1","c1cc(oc1)-c2[nH]c3c(n2)cccc3",null,"c1coc(-c2nc3ccccc3[nH]2)c1","c1cc(oc1)-c2[nH]c3c(n2)cccc3",null,"c1coc(-c2nc3ccccc3[nH]2)c1","c1cc(oc1)-c2[nH]c3c(n2)cccc3",null,"c1coc(-c2nc3ccccc3[nH]2)c1","c1cc(oc1)-c2[nH]c3c(n2)cccc3"]
[3443,"3891-59-6","CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O","CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O",null,"CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O","CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O",null,"CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O","CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O",null,"CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O","CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O"]
[3444,"3912-28-5"]
[3445,"3939-23-9","Brc1ccc2c(c1)Sc1ccccc1N2","Brc1cc2c(cc1)Nc3c(S2)cccc3",null,"Brc1ccc2c(c1)Sc1ccccc1N2","Brc1cc2c(cc1)Nc3c(S2)cccc3",null,"Brc1ccc2c(c1)Sc1ccccc1N2","Brc1cc2c(cc1)Nc3c(S2)cccc3",null,"Brc1ccc2c(c1)Sc1ccccc1N2","Brc1cc2c(cc1)Nc3c(S2)cccc3"]
[3446,"3939-24-0","Ic1ccc2c(c1)Sc1ccccc1N2","Ic1cc2c(cc1)Nc3c(S2)cccc3",{"$nulls":4},"Ic1ccc2c(c1)Sc1ccccc1N2","Ic1cc2c(cc1)Nc3c(S2)cccc3",null,"Ic1ccc2c(c1)Sc1ccccc1N2","Ic1cc2c(cc1)Nc3c(S2)cccc3"]
[3447,"3944-87-4","O=S(=O)(CCCl)CCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCS(=O)(=O)CCCl",null,"O=S(=O)(CCCl)CCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCS(=O)(=O)CCCl",null,"O=S(=O)(CCCl)CCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCS(=O)(=O)CCCl",null,"O=S(=O)(CCCl)CCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCS(=O)(=O)CCCl"]
[3448,"3952-78-1","O=C(O)CN(CC(=O)O)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O","O=C(O)CN(CC(=O)O)Cc1c(c(c2c(c1)C(c3c(C2=O)cccc3)=O)O)O",null,"O=C(O)CN(CC(=O)O)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O","O=C(O)CN(CC(=O)O)Cc1c(c(c2c(c1)C(c3c(C2=O)cccc3)=O)O)O",null,"O=C(O)CN(CC(=O)O)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O","O=C(O)CN(CC(=O)O)Cc1c(c(c2c(c1)C(c3c(C2=O)cccc3)=O)O)O",null,"O=C(O)CN(CC(=O)O)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O","O=C(O)CN(CC(=O)O)Cc1c(c(c2c(c1)C(c3c(C2=O)cccc3)=O)O)O"]
[3449,"3964-57-6","COC(=O)c1ccc(O)c(Cl)c1","COC(=O)c1cc(c(cc1)O)Cl",null,"COC(=O)c1ccc(O)c(Cl)c1","COC(=O)c1cc(c(cc1)O)Cl",null,"COC(=O)c1ccc(O)c(Cl)c1","COC(=O)c1cc(c(cc1)O)Cl",null,"COC(=O)c1ccc(O)c(Cl)c1","COC(=O)c1cc(c(cc1)O)Cl"]
[3450,"3970-62-5","CCC(O)C(C)(C)C","CCC(O)C(C)(C)C",null,"CCC(O)C(C)(C)C","CCC(O)C(C)(C)C",null,"CCC(O)C(C)(C)C","CCC(O)C(C)(C)C",null,"CCC(O)C(C)(C)C","CCC(O)C(C)(C)C"]
[3451,"3972-40-5","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O"]
[3452,"3974-36-5","CCCCCCC(C(=O)O)C(=O)O","CCCCCCC(C(=O)O)C(=O)O",null,"CCCCCCC(C(=O)O)C(=O)O","CCCCCCC(C(=O)O)C(=O)O",{"$nulls":4},"CCCCCCC(C(=O)O)C(=O)O","CCCCCCC(C(=O)O)C(=O)O"]
[3453,"4007-00-5","O=C(O)COc1c(Cl)ccc(Cl)c1Cl","O=C(O)COc1c(c(ccc1Cl)Cl)Cl",null,"O=C(O)COc1c(Cl)ccc(Cl)c1Cl","O=C(O)COc1c(c(ccc1Cl)Cl)Cl",null,"O=C(O)COc1c(Cl)ccc(Cl)c1Cl","O=C(O)COc1c(c(ccc1Cl)Cl)Cl",null,"O=C(O)COc1c(Cl)ccc(Cl)c1Cl","O=C(O)COc1c(c(ccc1Cl)Cl)Cl"]
[3454,"4059-62-5","COC(=O)CO","COC(=O)CO","O[N+]([O-])=O(1)",{"$nulls":3},"COC(=O)CO[N+](=O)[O-]","COC(=O)CO[N+](=O)[O-]",null,"COC(=O)CO[N+](=O)[O-]","COC(=O)CO[N+](=O)[O-]"]
[3455,"4065-45-6",{"$nulls":3},"COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)[O-]","COc1c(cc(c(c1)O)C(=O)c2ccccc2)S(=O)(=O)O","[Na+](1)",{"$nulls":3},"COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O","COc1c(cc(c(c1)O)C(=O)c2ccccc2)S(=O)(=O)O"]
[3456,"4079-52-1","COCC(=O)c1ccccc1","COCC(=O)c1ccccc1",null,"COCC(=O)c1ccccc1","COCC(=O)c1ccccc1",null,"COCC(=O)c1ccccc1","COCC(=O)c1ccccc1",null,"COCC(=O)c1ccccc1","COCC(=O)c1ccccc1"]
[3457,"4080-31-3",{"$nulls":3},"ClC=CC[N+]12CN3CN(CN(C3)C1)C2","ClC=CC[N+]12CN3CN(CN(C1)C3)C2","[Cl-](1)",{"$nulls":3},"ClC=CC[N+]12CN3CN(CN(C3)C1)C2","ClC=CC[N+]12CN3CN(CN(C1)C3)C2","[Cl-](1)"]
[3458,"4086-63-9","Nc1ncnc(NCc2ccccc2)n1","Nc1nc(ncn1)NCc2ccccc2",null,"Nc1ncnc(NCc2ccccc2)n1","Nc1nc(ncn1)NCc2ccccc2",null,"Nc1ncnc(NCc2ccccc2)n1","Nc1nc(ncn1)NCc2ccccc2",null,"Nc1ncnc(NCc2ccccc2)n1","Nc1nc(ncn1)NCc2ccccc2"]
[3459,"4088-60-2","CC=CCO","CC=CCO",null,"CC=CCO","CC=CCO",null,"CC=CCO","CC=CCO",null,"CC=CCO","CC=CCO"]
[3460,"4100-02-1","O=[N+]([O-])C(CCl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(CCl)([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},"O=[N+]([O-])C(CCl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(CCl)([N+](=O)[O-])[N+](=O)[O-]",null,"O=[N+]([O-])C(CCl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(CCl)([N+](=O)[O-])[N+](=O)[O-]"]
[3461,"4111-60-8","CCC(CC)(C(=O)O)C(CC)(CC)C(=O)O","CCC(CC)(C(=O)O)C(CC)(CC)C(=O)O",{"$nulls":7},"CCC(CC)(C(=O)O)C(CC)(CC)C(=O)O","CCC(CC)(C(=O)O)C(CC)(CC)C(=O)O"]
[3462,"4126-55-0","CCCCOCCC(=O)OC","CCCCOCCC(=O)OC",{"$nulls":4},"CCCCOCCC(=O)OC","CCCCOCCC(=O)OC",null,"CCCCOCCC(=O)OC","CCCCOCCC(=O)OC"]
[3463,"4128-31-8",{"$nulls":3},"CCCCCCC(C)O","CCCCCCC(C)O",null,"CCCCCCC(C)O","CCCCCCC(C)O",null,"CCCCCCC(C)O","CCCCCCC(C)O"]
[3464,"4147-51-7","CCSc1nc(NC(C)C)nc(NC(C)C)n1","CCSc1nc(nc(n1)NC(C)C)NC(C)C",null,"CCSc1nc(NC(C)C)nc(NC(C)C)n1","CCSc1nc(nc(n1)NC(C)C)NC(C)C",null,"CCSc1nc(NC(C)C)nc(NC(C)C)n1","CCSc1nc(nc(n1)NC(C)C)NC(C)C",null,"CCSc1nc(NC(C)C)nc(NC(C)C)n1","CCSc1nc(nc(n1)NC(C)C)NC(C)C"]
[3465,"4164-32-3","O=[N+]([O-])N1CCOCC1","O=[N+]([O-])N1CCOCC1",null,"O=[N+]([O-])N1CCOCC1","O=[N+]([O-])N1CCOCC1",null,"O=[N+]([O-])N1CCOCC1","O=[N+]([O-])N1CCOCC1",null,"O=[N+]([O-])N1CCOCC1","O=[N+]([O-])N1CCOCC1"]
[3466,"4170-30-3","CC=CC=O","CC=CC=O",null,"CC=CC=O","CC=CC=O",null,"CC=CC=O","CC=CC=O",null,"CC=CC=O","CC=CC=O"]
[3467,"4181-03-7"]
[3468,"4195-16-8","CC(C)C(=O)Oc1ccc([N+](=O)[O-])cc1","CC(C)C(=O)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},"CC(C)C(=O)Oc1ccc([N+](=O)[O-])cc1","CC(C)C(=O)Oc1ccc(cc1)[N+](=O)[O-]",null,"CC(C)C(=O)Oc1ccc([N+](=O)[O-])cc1","CC(C)C(=O)Oc1ccc(cc1)[N+](=O)[O-]"]
[3469,"4195-88-4","CCCCOC(=O)CCOC","CCCCOC(=O)CCOC",null,"CCCCOC(=O)CCOC","CCCCOC(=O)CCOC",null,"CCCCOC(=O)CCOC","CCCCOC(=O)CCOC",null,"CCCCOC(=O)CCOC","CCCCOC(=O)CCOC"]
[3470,"4198-33-8","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O",null,"O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O"]
[3471,"4199-88-6","O=[N+]([O-])c1cc2cccnc2c2ncccc12","O=[N+]([O-])c1c2c(c3c(c1)cccn3)nccc2",null,"O=[N+]([O-])c1cc2cccnc2c2ncccc12","O=[N+]([O-])c1c2c(c3c(c1)cccn3)nccc2",null,"O=[N+]([O-])c1cc2cccnc2c2ncccc12","O=[N+]([O-])c1c2c(c3c(c1)cccn3)nccc2",null,"O=[N+]([O-])c1cc2cccnc2c2ncccc12","O=[N+]([O-])c1c2c(c3c(c1)cccn3)nccc2"]
[3472,"4212-49-1","CCc1c[nH]c(=O)[nH]c1=O","CCc1c([nH]c([nH]c1)=O)=O",null,"CCc1c[nH]c(=O)[nH]c1=O","CCc1c([nH]c([nH]c1)=O)=O",null,"CCc1c[nH]c(=O)[nH]c1=O","CCc1c([nH]c([nH]c1)=O)=O",null,"CCc1c[nH]c(=O)[nH]c1=O","CCc1c([nH]c([nH]c1)=O)=O"]
[3473,"4226-18-0","CNC(CC(=O)O)C(=O)O","CNC(CC(=O)O)C(=O)O",null,"CNC(CC(=O)O)C(=O)O","CNC(CC(=O)O)C(=O)O"]
[3474,"4248-19-5","CC(C)(C)OC(N)=O","CC(C)(C)OC(N)=O",null,"CC(C)(C)OC(N)=O","CC(C)(C)OC(N)=O",{"$nulls":4},"CC(C)(C)OC(N)=O","CC(C)(C)OC(N)=O"]
[3475,"4261-14-7","Nc1ncnc2c1ncn2Cc1ccccc1","Nc1c2c(ncn1)n(cn2)Cc3ccccc3",null,"Nc1ncnc2c1ncn2Cc1ccccc1","Nc1c2c(ncn1)n(cn2)Cc3ccccc3",null,"Nc1ncnc2c1ncn2Cc1ccccc1","Nc1c2c(ncn1)n(cn2)Cc3ccccc3",null,"Nc1ncnc2c1ncn2Cc1ccccc1","Nc1c2c(ncn1)n(cn2)Cc3ccccc3"]
[3476,"4275-28-9","OCCSCCO","OCCSCCO","CC(O)=O(2)","CC(=O)OCCSCCOC(C)=O","CC(=O)OCCSCCOC(C)=O",null,"CC(=O)OCCSCCOC(C)=O","CC(=O)OCCSCCOC(C)=O",null,"CC(=O)OCCSCCOC(C)=O","CC(=O)OCCSCCOC(C)=O"]
[3477,"4281-16-7","O=C(O)c1ccccc1CC(=O)c1ccccc1C(=O)O","O=C(O)c1c(cccc1)CC(=O)c2c(cccc2)C(=O)O",null,"O=C(O)c1ccccc1CC(=O)c1ccccc1C(=O)O","O=C(O)c1c(cccc1)CC(=O)c2c(cccc2)C(=O)O",null,"O=C(O)c1ccccc1CC(=O)c1ccccc1C(=O)O","O=C(O)c1c(cccc1)CC(=O)c2c(cccc2)C(=O)O",null,"O=C(O)c1ccccc1CC(=O)c1ccccc1C(=O)O","O=C(O)c1c(cccc1)CC(=O)c2c(cccc2)C(=O)O"]
[3478,"4282-40-0","CCCCCCCI","CCCCCCCI",null,"CCCCCCCI","CCCCCCCI",null,"CCCCCCCI","CCCCCCCI",null,"CCCCCCCI","CCCCCCCI"]
[3479,"4315-09-7","O=C(O)c1ccc([N+](=O)[O-])c(C(=O)O)c1","O=C(O)c1cc(c(cc1)[N+](=O)[O-])C(=O)O",{"$nulls":4},"O=C(O)c1ccc([N+](=O)[O-])c(C(=O)O)c1","O=C(O)c1cc(c(cc1)[N+](=O)[O-])C(=O)O",null,"O=C(O)c1ccc([N+](=O)[O-])c(C(=O)O)c1","O=C(O)c1cc(c(cc1)[N+](=O)[O-])C(=O)O"]
[3480,"4340-77-6","Clc1ccc(N=Nc2ccccc2)cc1","Clc1ccc(cc1)N=Nc2ccccc2",null,"Clc1ccc(N=Nc2ccccc2)cc1","Clc1ccc(cc1)N=Nc2ccccc2"]
[3481,"4341-15-5",{"$nulls":3},"O=C1OCCCN1N=Cc1ccc([N+](=O)[O-])o1","O=C1N(CCCO1)N=Cc2oc(cc2)[N+](=O)[O-]"]
[3482,"4352-63-0",{"$nulls":3},"O=C1Cc2c(ccc3ccccc23)O1","O=C1Oc2c(C1)c3c(cc2)cccc3",{"$nulls":4},"O=C1Cc2c(ccc3ccccc23)O1","O=C1Oc2c(C1)c3c(cc2)cccc3"]
[3483,"4360-12-7","CCC1C2CC3C4N(C)c5ccccc5C45CC(C2C5O)N3C1O","CCC1C(N2C3CC1C4C2CC5(C3N(C)c6c5cccc6)C4O)O",null,"CCC1C2CC3C4N(C)c5ccccc5C45CC(C2C5O)N3C1O","CCC1C(N2C3CC1C4C2CC5(C3N(C)c6c5cccc6)C4O)O",null,"CCC1C2CC3C4N(C)c5ccccc5C45CC(C2C5O)N3C1O","CCC1C(N2C3CC1C4C2CC5(C3N(C)c6c5cccc6)C4O)O",null,"CCC1C2CC3C4N(C)c5ccccc5C45CC(C2C5O)N3C1O","CCC1C(N2C3CC1C4C2CC5(C3N(C)c6c5cccc6)C4O)O"]
[3484,"4372-29-6","CCCCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCCCC(C(=O)O)C(=O)O",null,"CCCCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCCCC(C(=O)O)C(=O)O",null,"CCCCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCCCC(C(=O)O)C(=O)O",null,"CCCCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCCCC(C(=O)O)C(=O)O"]
[3485,"4378-43-2","O=C(O)CCCP(=O)(O)O","O=C(O)CCCP(=O)(O)O",null,"O=C([O-])CCCP(=O)([O-])[O-]","O=C(O)CCCP(=O)(O)O",null,"O=C(O)CCCP(=O)(O)O","O=C(O)CCCP(=O)(O)O",null,"O=C(O)CCCP(=O)(O)O","O=C(O)CCCP(=O)(O)O"]
[3486,"4383-07-7","Cc1ccc(O)c(CO)c1","Cc1cc(c(cc1)O)CO",null,"Cc1ccc(O)c(CO)c1","Cc1cc(c(cc1)O)CO",null,"Cc1ccc(O)c(CO)c1","Cc1cc(c(cc1)O)CO",null,"Cc1ccc(O)c(CO)c1","Cc1cc(c(cc1)O)CO"]
[3487,"4383-93-1","CCC(=O)CC(=O)C(=O)O","CCC(=O)CC(=O)C(=O)O",{"$nulls":4},"CCC(=O)CC(=O)C(=O)O","CCC(=O)CC(=O)C(=O)O",null,"CCC(=O)CC(=O)C(=O)O","CCC(=O)CC(=O)C(=O)O"]
[3488,"4391-87-1",{"$nulls":3},"CCOC(=O)c1[nH]c(C=O)c(CC)c1C","CCOC(=O)c1c(c(c([nH]1)C=O)CC)C",{"$nulls":4},"CCOC(=O)c1[nH]c(C=O)c(CC)c1C","CCOC(=O)c1c(c(c([nH]1)C=O)CC)C"]
[3489,"4394-00-7","O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1","O=C(O)c1c(nccc1)Nc2cc(ccc2)C(F)(F)F",null,"O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1","O=C(O)c1c(nccc1)Nc2cc(ccc2)C(F)(F)F",null,"O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1","O=C(O)c1c(nccc1)Nc2cc(ccc2)C(F)(F)F",null,"O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1","O=C(O)c1c(nccc1)Nc2cc(ccc2)C(F)(F)F"]
[3490,"4396-01-4","CC(=O)CC1CCCCN1","CC(=O)CC1NCCCC1",null,"CC(=O)CC1CCCCN1","CC(=O)CC1NCCCC1"]
[3491,"4408-78-0","O=C(O)CP(=O)(O)O","O=C(O)CP(=O)(O)O",null,"O=C(O)CP(=O)(O)O","O=C(O)CP(=O)(O)O",null,"O=C(O)CP(=O)(O)O","O=C(O)CP(=O)(O)O",null,"O=C(O)CP(=O)(O)O","O=C(O)CP(=O)(O)O"]
[3492,"4411-97-6","CC(C)=C(C)C(=O)O","CC(C)=C(C)C(=O)O",{"$nulls":4},"CC(C)=C(C)C(=O)O","CC(C)=C(C)C(=O)O",null,"CC(C)=C(C)C(=O)O","CC(C)=C(C)C(=O)O"]
[3493,"4418-61-5","Nc1nnn[nH]1","Nc1[nH]nnn1",null,"Nc1nn[nH]n1","Nc1n[nH]nn1",null,"Nc1nnn[nH]1","Nc1[nH]nnn1",null,"Nc1nnn[nH]1","Nc1[nH]nnn1"]
[3494,"4427-56-9","Cc1ccc(O)c(C(C)C)c1","Cc1cc(c(cc1)O)C(C)C",null,"Cc1ccc(O)c(C(C)C)c1","Cc1cc(c(cc1)O)C(C)C",null,"Cc1ccc(O)c(C(C)C)c1","Cc1cc(c(cc1)O)C(C)C",null,"Cc1ccc(O)c(C(C)C)c1","Cc1cc(c(cc1)O)C(C)C"]
[3495,"4430-05-1","O=C1COCC(=O)N1","O=C1NC(COC1)=O",{"$nulls":4},"O=C1COCC(=O)N1","O=C1NC(COC1)=O",null,"O=C1COCC(=O)N1","O=C1NC(COC1)=O"]
[3496,"4435-53-4","COC(C)CCOC(C)=O","COC(C)CCOC(C)=O",null,"COC(C)CCOC(C)=O","COC(C)CCOC(C)=O",null,"COC(C)CCOC(C)=O","COC(C)CCOC(C)=O",null,"COC(C)CCOC(C)=O","COC(C)CCOC(C)=O"]
[3497,"4436-74-2","O=C(O)CC=CCC(=O)O","O=C(O)CC=CCC(=O)O",null,"O=C(O)CC=CCC(=O)O","O=C(O)CC=CCC(=O)O",{"$nulls":4},"O=C(O)CC=CCC(=O)O","O=C(O)CC=CCC(=O)O"]
[3498,"4437-52-9","CCC(=NO)C(CC)=NO","CCC(=NO)C(CC)=NO",null,"CCC(N=O)=C(CC)NO","CCC(N=O)=C(CC)NO",null,"CCC(=NO)C(CC)=NO","CCC(=NO)C(CC)=NO",null,"CCC(=NO)C(CC)=NO","CCC(=NO)C(CC)=NO"]
[3499,"4441-12-7",{"$nulls":3},"O=P(N1CCOCC1)(N1CCOCC1)N1CCOCC1","O=P(N1CCOCC1)(N2CCOCC2)N3CCOCC3",{"$nulls":4},"O=P(N1CCOCC1)(N1CCOCC1)N1CCOCC1","O=P(N1CCOCC1)(N2CCOCC2)N3CCOCC3"]
[3500,"4441-51-4"]
[3501,"4442-94-8","O=C(O)C(O)C1CCCCC1","O=C(O)C(O)C1CCCCC1",null,"O=C(O)C(O)C1CCCCC1","O=C(O)C(O)C1CCCCC1",{"$nulls":4},"O=C(O)C(O)C1CCCCC1","O=C(O)C(O)C1CCCCC1"]
[3502,"4454-18-6","CC(CCC(C)C(=O)O)C(=O)O","CC(CCC(C)C(=O)O)C(=O)O",null,"CC(CCC(C)C(=O)O)C(=O)O","CC(CCC(C)C(=O)O)C(=O)O"]
[3503,"4462-43-5",{"$nulls":3},"Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1C","Cc1c(nc(nc1)NS(=O)(=O)c2ccc(cc2)N)C",{"$nulls":4},"Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1C","Cc1c(nc(nc1)NS(=O)(=O)c2ccc(cc2)N)C"]
[3504,"4489-33-2"]
[3505,"4516-69-2","CC1CCC(C)(C)C1","CC1CC(CC1)(C)C",null,"CC1CCC(C)(C)C1","CC1CC(CC1)(C)C",null,"CC1CCC(C)(C)C1","CC1CC(CC1)(C)C",null,"CC1CCC(C)(C)C1","CC1CC(CC1)(C)C"]
[3506,"4526-77-6","CC1NC(=O)CNC1=O","CC1C(NCC(N1)=O)=O",null,"CC1NC(=O)CNC1=O","CC1C(NCC(N1)=O)=O",null,"CC1N=C(O)CN=C1O","CC1C(=NCC(=N1)O)O",null,"CC1N=C(O)CN=C1O","CC1C(=NCC(=N1)O)O"]
[3507,"4549-40-0","NC=CCN=O","NC=CCN=O",null,"C=CN(C)N=O","C=CN(C)N=O",null,"C=CN(C)CN=O","C=CN(C)CN=O",null,"C=CN(C)CN=O","C=CN(C)CN=O"]
[3508,"4549-44-4","CCCCNCCN=O","CCCCNCCN=O",null,"CCCCN(CC)N=O","CCCCN(CC)N=O",null,"CCCCN(CC)N=O","CCCCN(CC)N=O",null,"CCCCN(CC)N=O","CCCCN(CC)N=O"]
[3509,"4562-27-0","O=c1ccnc[nH]1","O=c1[nH]cncc1",null,"O=c1ccnc[nH]1","O=c1[nH]cncc1",null,"O=c1cc[nH]cn1","O=c1nc[nH]cc1",null,"O=c1cc[nH]cn1","O=c1nc[nH]cc1"]
[3510,"4578-58-9",{"$nulls":3},"CC1=NN(c2ccccc2)C(=O)CC1","CC=1CCC(N(N1)c2ccccc2)=O",{"$nulls":4},"CC1=NN(c2ccccc2)C(=O)CC1","CC=1CCC(N(N1)c2ccccc2)=O"]
[3511,"4584-66-1"]
[3512,"4584-68-3","O=c1ccccc(Br)c1O","O=c1c(c(cccc1)Br)O",null,"O=c1ccccc(Br)c1O","O=c1c(c(cccc1)Br)O",null,"O=c1ccccc(Br)c1O","O=c1c(c(cccc1)Br)O",null,"O=c1ccccc(Br)c1O","O=c1c(c(cccc1)Br)O"]
[3513,"4587-00-2","CC(=O)C1(C)CO1","CC(=O)C1(OC1)C",null,"CC(=O)C1(C)CO1","CC(=O)C1(OC1)C",null,"CC(=O)C1(C)CO1","CC(=O)C1(OC1)C",null,"CC(=O)C1(C)CO1","CC(=O)C1(OC1)C"]
[3514,"4596-56-9","CCSC(=S)NCC(=O)O","CCSC(=S)NCC(=O)O",{"$nulls":4},"CCSC(=S)NCC(=O)O","CCSC(=S)NCC(=O)O",null,"CCSC(=S)NCC(=O)O","CCSC(=S)NCC(=O)O"]
[3515,"4607-63-0"]
[3516,"4618-18-2","OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(OC2CO)(O)CO)O)O)O)O",null,"OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(OC2CO)(O)CO)O)O)O)O",null,"OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(OC2CO)(O)CO)O)O)O)O",null,"OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(OC2CO)(O)CO)O)O)O)O"]
[3517,"4636-40-2",{"$nulls":9},"O=c1ccc(Br)cc(Br)c1O","O=c1c(c(cc(cc1)Br)Br)O"]
[3518,"4636-41-3"]
[3519,"4652-44-2","CCN(CC)C(=O)OC","CCN(CC)C(=O)OC",null,"CCN(CC)C(=O)OC","CCN(CC)C(=O)OC",null,"CCN(CC)C(=O)OC","CCN(CC)C(=O)OC",null,"CCN(CC)C(=O)OC","CCN(CC)C(=O)OC"]
[3520,"4653-13-8","O=C(O)CCC(=O)c1cccc2ccccc12","O=C(O)CCC(=O)c1c2c(ccc1)cccc2",null,"O=C(O)CCC(=O)c1cccc2ccccc12","O=C(O)CCC(=O)c1c2c(ccc1)cccc2",{"$nulls":4},"O=C(O)CCC(=O)c1cccc2ccccc12","O=C(O)CCC(=O)c1c2c(ccc1)cccc2"]
[3521,"4658-28-0","CSc1nc(N=[N+]=[N-])nc(NC(C)C)n1","CSc1nc(nc(n1)N=[N+]=[N-])NC(C)C",null,"CSc1nc(N=[N+]=[N-])nc(NC(C)C)n1","CSc1nc(nc(n1)N=[N+]=[N-])NC(C)C",null,"CSc1nc(N=[N+]=[N-])nc(NC(C)C)n1","CSc1nc(nc(n1)N=[N+]=[N-])NC(C)C",null,"CSc1nc(N=[N+]=[N-])nc(NC(C)C)n1","CSc1nc(nc(n1)N=[N+]=[N-])NC(C)C"]
[3522,"4685-14-7","C[n+]1ccc(-c2cc[n+](C)cc2)cc1","C[n+]1ccc(cc1)-c2cc[n+](cc2)C",null,"C[n+]1ccc(-c2cc[n+](C)cc2)cc1","C[n+]1ccc(cc1)-c2cc[n+](cc2)C",null,"C[n+]1ccc(-c2cc[n+](C)cc2)cc1","C[n+]1ccc(cc1)-c2cc[n+](cc2)C",null,"C[n+]1ccc(-c2cc[n+](C)cc2)cc1","C[n+]1ccc(cc1)-c2cc[n+](cc2)C"]
[3523,"4695-62-9","CC12CCC(C1)C(C)(C)C2=O","CC12CC(CC1)C(C)(C)C2=O",null,"CC12CCC(C1)C(C)(C)C2=O","CC12CC(CC1)C(C)(C)C2=O",null,"CC12CCC(C1)C(C)(C)C2=O","CC12CC(CC1)C(C)(C)C2=O",null,"CC12CCC(C1)C(C)(C)C2=O","CC12CC(CC1)C(C)(C)C2=O"]
[3524,"4707-88-4","NP(N)(=O)c1ccccc1","NP(N)(=O)c1ccccc1",null,"NP(N)(=O)c1ccccc1","NP(N)(=O)c1ccccc1",null,"NP(N)(=O)c1ccccc1","NP(N)(=O)c1ccccc1",null,"NP(N)(=O)c1ccccc1","NP(N)(=O)c1ccccc1"]
[3525,"4720-09-6","CC(=O)OC1C2CCC3C(C)(O)C4CC(O)C(C)(C)C4(O)C(O)CC13CC2(C)O","CC(=O)OC1C23C(CCC1C(C2)(C)O)C(C)(O)C4C(C(C(C4)O)(C)C)(O)C(O)C3",null,"CC(=O)OC1C2CCC3C(C)(O)C4CC(O)C(C)(C)C4(O)C(O)CC13CC2(C)O","CC(=O)OC1C23C(CCC1C(C2)(C)O)C(C)(O)C4C(C(C(C4)O)(C)C)(O)C(O)C3"]
[3526,"4724-01-0","NCCCNc1ccccc1","NCCCNc1ccccc1"]
[3527,"4726-14-1","CCCN(CCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(C)(=O)=O)[N+](=O)[O-]",null,"CCCN(CCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(C)(=O)=O)[N+](=O)[O-]",null,"CCCN(CCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(C)(=O)=O)[N+](=O)[O-]",null,"CCCN(CCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(C)(=O)=O)[N+](=O)[O-]"]
[3528,"4727-29-1","O=C(O)c1ccccc1C(=O)Nc1ccccc1","O=C(O)c1c(cccc1)C(=O)Nc2ccccc2",null,"O=C(O)c1ccccc1C(=O)Nc1ccccc1","O=C(O)c1c(cccc1)C(=O)Nc2ccccc2",null,"O=C(O)c1ccccc1C(=O)Nc1ccccc1","O=C(O)c1c(cccc1)C(=O)Nc2ccccc2",null,"O=C(O)c1ccccc1C(=O)Nc1ccccc1","O=C(O)c1c(cccc1)C(=O)Nc2ccccc2"]
[3529,"4727-50-8","CCN1C=CC(=CC=Cc2cc[n+](CC)c3ccccc23)c2ccccc21","CCN1c2c(C(C=C1)=CC=Cc3c4c([n+](cc3)CC)cccc4)cccc2","[I-](1)","CCN1C=CC(=CC=Cc2cc[n+](CC)c3ccccc23)c2ccccc21","CCN1c2c(C(C=C1)=CC=Cc3c4c([n+](cc3)CC)cccc4)cccc2","[I-](1)",{"$nulls":3},"CCN1C=CC(=CC=Cc2cc[n+](CC)c3ccccc23)c2ccccc21","CCN1c2c(C(C=C1)=CC=Cc3c4c([n+](cc3)CC)cccc4)cccc2","[I-](1)"]
[3530,"4732-14-3","CCOc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","CCOc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"CCOc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]","CCOc1c(c(c(cc1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},"CCOc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","CCOc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"]
[3531,"4746-61-6",{"$nulls":3},"CC(=O)Nc1ccccc1O","CC(=O)Nc1c(cccc1)O"]
[3532,"4770-31-4",{"$nulls":9},"CCC1(CC)OC(=O)c2ccccc21","CCC1(c2c(C(O1)=O)cccc2)CC"]
[3533,"4771-47-5","O=C(O)c1cccc(Cl)c1[N+](=O)[O-]","O=C(O)c1c(c(ccc1)Cl)[N+](=O)[O-]",null,"O=C([O-])c1cccc(Cl)c1[N+](=O)[O-]","O=C(O)c1c(c(ccc1)Cl)[N+](=O)[O-]",null,"O=C(O)c1cccc(Cl)c1[N+](=O)[O-]","O=C(O)c1c(c(ccc1)Cl)[N+](=O)[O-]",null,"O=C(O)c1cccc(Cl)c1[N+](=O)[O-]","O=C(O)c1c(c(ccc1)Cl)[N+](=O)[O-]"]
[3534,"4775-82-0","CCOCC(N)C(=O)O","CCOCC(N)C(=O)O",{"$nulls":4},"CCOCC(N)C(=O)O","CCOCC(N)C(=O)O",null,"CCOCC(N)C(=O)O","CCOCC(N)C(=O)O"]
[3535,"4775-93-3","CC(SSC(C)C(=O)O)C(=O)O","CC(SSC(C)C(=O)O)C(=O)O",null,"O=C(O)CCSSCCC(=O)O","O=C(O)CCSSCCC(=O)O",null,"CC(SSC(C)C(=O)O)C(=O)O","CC(SSC(C)C(=O)O)C(=O)O",null,"CC(SSC(C)C(=O)O)C(=O)O","CC(SSC(C)C(=O)O)C(=O)O"]
[3536,"4780-79-4","OCc1cccc2ccccc12","OCc1c2c(ccc1)cccc2",null,"OCc1cccc2ccccc12","OCc1c2c(ccc1)cccc2",null,"OCc1cccc2ccccc12","OCc1c2c(ccc1)cccc2",null,"OCc1cccc2ccccc12","OCc1c2c(ccc1)cccc2"]
[3537,"4786-20-3","CC=CC#N","CC=CC#N",null,"CC=CC#N","CC=CC#N",null,"CC=CC#N","CC=CC#N",null,"CC=CC#N","CC=CC#N"]
[3538,"4792-32-9","NC(=O)C1OC(=O)c2ccccc21","NC(=O)C1c2c(C(O1)=O)cccc2",{"$nulls":4},"NC(=O)C1OC(=O)c2ccccc21","NC(=O)C1c2c(C(O1)=O)cccc2",null,"NC(=O)C1OC(=O)c2ccccc21","NC(=O)C1c2c(C(O1)=O)cccc2"]
[3539,"4798-44-1","C=CC(O)CCC","C=CC(O)CCC",null,"C=CC(O)CCC","C=CC(O)CCC",null,"C=CC(O)CCC","C=CC(O)CCC",null,"C=CC(O)CCC","C=CC(O)CCC"]
[3540,"4798-45-2","C=CC(O)C(C)C","C=CC(O)C(C)C",null,"C=CC(O)C(C)C","C=CC(O)C(C)C",null,"C=CC(O)C(C)C","C=CC(O)C(C)C",null,"C=CC(O)C(C)C","C=CC(O)C(C)C"]
[3541,"4798-58-7","CC=CC(O)CC","CC=CC(O)CC",null,"CC=CC(O)CC","CC=CC(O)CC",null,"CC=CC(O)CC","CC=CC(O)CC",null,"CC=CC(O)CC","CC=CC(O)CC"]
[3542,"4824-78-6",{"$nulls":3},"CCOP(=S)(OCC)Oc1cc(Cl)c(Br)cc1Cl","CCOP(=S)(OCC)Oc1c(cc(c(c1)Cl)Br)Cl",null,"CCOP(=S)(OCC)Oc1cc(Cl)c(Br)cc1Cl","CCOP(=S)(OCC)Oc1c(cc(c(c1)Cl)Br)Cl",null,"CCOP(=S)(OCC)Oc1cc(Cl)c(Br)cc1Cl","CCOP(=S)(OCC)Oc1c(cc(c(c1)Cl)Br)Cl"]
[3543,"4825-95-0",{"$nulls":9},"CCOC(=O)c1cc(=O)oc2ccccc12","CCOC(=O)c1c2c(oc(c1)=O)cccc2"]
[3544,"4825-96-1","CCN(CC)C(=O)c1cc(=O)oc2ccccc12","CCN(CC)C(=O)c1c2c(oc(c1)=O)cccc2"]
[3545,"4834-67-7",{"$nulls":3},"O=C(O)C(=O)C(c1ccccc1)c1ccccc1","O=C(O)C(=O)C(c1ccccc1)c2ccccc2",{"$nulls":4},"O=C(O)C(=O)C(c1ccccc1)c1ccccc1","O=C(O)C(=O)C(c1ccccc1)c2ccccc2"]
[3546,"4838-65-7","CCCCCCN1CCCC1=O","CCCCCCN1C(CCC1)=O",null,"CCCCCCN1CCCC1=O","CCCCCCN1C(CCC1)=O",null,"CCCCCCN1CCCC1=O","CCCCCCN1C(CCC1)=O",null,"CCCCCCN1CCCC1=O","CCCCCCN1C(CCC1)=O"]
[3547,"4849-32-5","CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1N=C(N)C(=O)O","CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(N)C(=O)O",null,"CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1","CN(C)C(=O)Nc1cc(ccc1)OC(=O)NC(C)(C)C",null,"CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1NC(=N)C(=O)O","CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)NC(=N)C(=O)O",null,"CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1","CN(C)C(=O)Nc1cc(ccc1)OC(=O)NC(C)(C)C"]
[3548,"4861-19-2","O=P(O)(O)O","O=P(O)(O)O","NC(N)=O(1)","O=P(O)(O)O","O=P(O)(O)O","NC(N)=O(1)","O=P(O)(O)O","O=P(O)(O)O","NC(N)=O(1)","O=P(O)(O)O","O=P(O)(O)O","NC(N)=O(1)",null,"Organic counterion"]
[3549,"4881-17-8","O=P(Oc1ccccc1)(N1CCOCC1)N1CCOCC1","O=P(Oc1ccccc1)(N2CCOCC2)N3CCOCC3",null,"O=P(Oc1ccccc1)(N1CCOCC1)N1CCOCC1","O=P(Oc1ccccc1)(N2CCOCC2)N3CCOCC3",{"$nulls":4},"O=P(Oc1ccccc1)(N1CCOCC1)N1CCOCC1","O=P(Oc1ccccc1)(N2CCOCC2)N3CCOCC3"]
[3550,"4890-38-4","CCCCOC(=O)CCO","CCCCOC(=O)CCO",{"$nulls":4},"CCCCOC(=O)CCO","CCCCOC(=O)CCO",null,"CCCCOC(=O)CCO","CCCCOC(=O)CCO"]
[3551,"4911-70-0","CCC(C)C(C)(C)O","CCC(C)C(C)(C)O",null,"CCC(C)C(C)(C)O","CCC(C)C(C)(C)O",null,"CCC(C)C(C)(C)O","CCC(C)C(C)(C)O",null,"CCC(C)C(C)(C)O","CCC(C)C(C)(C)O"]
[3552,"4917-76-4","O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O","O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O",null,"O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O","O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O",null,"O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O","O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O",null,"O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O","O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O"]
[3553,"4920-77-8","Cc1cccc(O)c1[N+](=O)[O-]","Cc1c(c(ccc1)O)[N+](=O)[O-]",null,"Cc1cccc(O)c1[N+](=O)[O-]","Cc1c(c(ccc1)O)[N+](=O)[O-]",null,"Cc1cccc(O)c1[N+](=O)[O-]","Cc1c(c(ccc1)O)[N+](=O)[O-]",null,"Cc1cccc(O)c1[N+](=O)[O-]","Cc1c(c(ccc1)O)[N+](=O)[O-]"]
[3554,"4960-82-1","O=C(CCl)NC(=O)CCl","O=C(CCl)NC(=O)CCl",null,"O=C(CCl)NC(=O)CCl","O=C(CCl)NC(=O)CCl",null,"O=C(CCl)N=C(O)CCl","O=C(CCl)N=C(O)CCl",null,"O=C(CCl)N=C(O)CCl","O=C(CCl)N=C(O)CCl"]
[3555,"4979-32-2","c1ccc2sc(SN(C3CCCCC3)C3CCCCC3)nc2c1","c1cc2c(cc1)sc(SN(C3CCCCC3)C4CCCCC4)n2",null,"c1ccc2sc(SN(C3CCCCC3)C3CCCCC3)nc2c1","c1cc2c(cc1)sc(SN(C3CCCCC3)C4CCCCC4)n2",null,"c1ccc2sc(SN(C3CCCCC3)C3CCCCC3)nc2c1","c1cc2c(cc1)sc(SN(C3CCCCC3)C4CCCCC4)n2",null,"c1ccc2sc(SN(C3CCCCC3)C3CCCCC3)nc2c1","c1cc2c(cc1)sc(SN(C3CCCCC3)C4CCCCC4)n2"]
[3556,"4998-07-6","COc1cc(C(=O)O)c([N+](=O)[O-])cc1OC","COc1c(cc(c(c1)C(=O)O)[N+](=O)[O-])OC",null,"COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1OC","COc1c(cc(c(c1)C(=O)O)[N+](=O)[O-])OC",null,"COc1cc(C(=O)O)c([N+](=O)[O-])cc1OC","COc1c(cc(c(c1)C(=O)O)[N+](=O)[O-])OC",null,"COc1cc(C(=O)O)c([N+](=O)[O-])cc1OC","COc1c(cc(c(c1)C(=O)O)[N+](=O)[O-])OC"]
[3557,"5003-48-5",{"$nulls":3},"CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1","CC(=O)Nc1ccc(cc1)OC(=O)c2c(cccc2)OC(C)=O",{"$nulls":4},"CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1","CC(=O)Nc1ccc(cc1)OC(=O)c2c(cccc2)OC(C)=O"]
[3558,"5033-23-8","O=S(=O)(c1ccccc1)N1CCCCC1","O=S(=O)(c1ccccc1)N2CCCCC2",null,"O=S(=O)(c1ccccc1)N1CCCCC1","O=S(=O)(c1ccccc1)N2CCCCC2",null,"O=S(=O)(c1ccccc1)N1CCCCC1","O=S(=O)(c1ccccc1)N2CCCCC2",null,"O=S(=O)(c1ccccc1)N1CCCCC1","O=S(=O)(c1ccccc1)N2CCCCC2"]
[3559,"5065-18-9","O=C(O)CSCCCSCC(=O)O","O=C(O)CSCCCSCC(=O)O"]
[3560,"5097-99-4","CCN(CC)C(C#N)c1ccccc1","CCN(CC)C(C#N)c1ccccc1",null,"CCN(CC)C(C#N)c1ccccc1","CCN(CC)C(C#N)c1ccccc1",null,"CCN(CC)C(C#N)c1ccccc1","CCN(CC)C(C#N)c1ccccc1",null,"CCN(CC)C(C#N)c1ccccc1","CCN(CC)C(C#N)c1ccccc1"]
[3561,"5103-71-9","ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl",null,"ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl",null,"ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl",null,"ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl"]
[3562,"5103-74-2","ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl",null,"ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl",null,"ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl",null,"ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl"]
[3563,"5104-49-4","CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1","CC(C(=O)O)c1cc(c(cc1)-c2ccccc2)F",null,"CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1","CC(C(=O)O)c1cc(c(cc1)-c2ccccc2)F",null,"CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1","CC(C(=O)O)c1cc(c(cc1)-c2ccccc2)F",null,"CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1","CC(C(=O)O)c1cc(c(cc1)-c2ccccc2)F"]
[3564,"5114-78-3","O=[N+]([O-])Cc1ccc2ccccc2n1","O=[N+]([O-])Cc1nc2c(cc1)cccc2",{"$nulls":4},"O=[N+]([O-])Cc1ccc2ccccc2n1","O=[N+]([O-])Cc1nc2c(cc1)cccc2",null,"O=[N+]([O-])Cc1ccc2ccccc2n1","O=[N+]([O-])Cc1nc2c(cc1)cccc2"]
[3565,"5131-24-8",{"$nulls":3},"CCOP(=S)(OCC)N1C(=O)c2ccccc2C1=O","CCOP(=S)(OCC)N1C(c2c(C1=O)cccc2)=O",{"$nulls":4},"CCOP(=S)(OCC)N1C(=O)c2ccccc2C1=O","CCOP(=S)(OCC)N1C(c2c(C1=O)cccc2)=O"]
[3566,"5139-01-5","O=C(O)C(S)CCC(S)C(=O)O","O=C(O)C(S)CCC(S)C(=O)O",null,"O=C(O)C(S)CCC(S)C(=O)O","O=C(O)C(S)CCC(S)C(=O)O",null,"O=C(O)C(S)CCC(S)C(=O)O","O=C(O)C(S)CCC(S)C(=O)O",null,"O=C(O)C(S)CCC(S)C(=O)O","O=C(O)C(S)CCC(S)C(=O)O"]
[3567,"5139-67-3","CCSC(=S)NC(CC(=O)O)C(=O)O","CCSC(=S)NC(CC(=O)O)C(=O)O",{"$nulls":4},"CCSC(S)=NC(CC(=O)O)C(=O)O","CCSC(S)=NC(CC(=O)O)C(=O)O",null,"CCSC(S)=NC(CC(=O)O)C(=O)O","CCSC(S)=NC(CC(=O)O)C(=O)O"]
[3568,"5143-78-2","O=S(=O)(CCCl)CCOCCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCOCCS(=O)(=O)CCCl",{"$nulls":4},"O=S(=O)(CCCl)CCOCCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCOCCS(=O)(=O)CCCl",null,"O=S(=O)(CCCl)CCOCCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCOCCS(=O)(=O)CCCl"]
[3569,"5155-53-3"]
[3570,"5155-54-4"]
[3571,"5156-00-3","COc1cc(C(=O)O)ccc1C(=O)O","COc1c(ccc(c1)C(=O)O)C(=O)O",null,"COc1cc(C(=O)O)ccc1C(=O)O","COc1c(ccc(c1)C(=O)O)C(=O)O",null,"COc1cc(C(=O)O)ccc1C(=O)O","COc1c(ccc(c1)C(=O)O)C(=O)O",null,"COc1cc(C(=O)O)ccc1C(=O)O","COc1c(ccc(c1)C(=O)O)C(=O)O"]
[3572,"5157-09-5","CCCCC(N)C(=O)O","CCCCC(N)C(=O)O",null,"CCCCC(N)C(=O)O","CCCCC(N)C(=O)O",null,"CCCCC(N)C(=O)O","CCCCC(N)C(=O)O"]
[3573,"5162-44-7","C=CCCBr","C=CCCBr",null,"C=CCCBr","C=CCCBr",null,"C=CCCBr","C=CCCBr",null,"C=CCCBr","C=CCCBr"]
[3574,"5202-86-8","CC(=O)Nc1ccc(Cl)cc1C","CC(=O)Nc1c(cc(cc1)Cl)C",null,"CC(=O)Nc1ccc(Cl)cc1C","CC(=O)Nc1c(cc(cc1)Cl)C",null,"CC(=O)Nc1ccc(Cl)cc1C","CC(=O)Nc1c(cc(cc1)Cl)C",null,"CC(=O)Nc1ccc(Cl)cc1C","CC(=O)Nc1c(cc(cc1)Cl)C"]
[3575,"5221-53-4","CCCCc1c(C)[nH]c(N(C)C)nc1=O","CCCCc1c(nc([nH]c1C)N(C)C)=O",null,"CCCCc1c(C)[nH]c(N(C)C)nc1=O","CCCCc1c(nc([nH]c1C)N(C)C)=O",null,"CCCCc1c(C)nc(N(C)C)nc1O","CCCCc1c(nc(nc1C)N(C)C)O",null,"CCCCc1c(C)nc(N(C)C)nc1O","CCCCc1c(nc(nc1C)N(C)C)O"]
[3576,"5226-98-2",{"$nulls":3},"CN1C2CCC1CC(OC(=O)C(COS(=O)(=O)O)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(COS(=O)(=O)O)c3ccccc3"]
[3577,"5234-68-4","CC1=C(C(=O)Nc2ccccc2)SCCO1","CC=1OCCSC1C(=O)Nc2ccccc2",null,"CC1=C(C(=O)Nc2ccccc2)SCCO1","CC=1OCCSC1C(=O)Nc2ccccc2",null,"CC1=C(C(=O)Nc2ccccc2)SCCO1","CC=1OCCSC1C(=O)Nc2ccccc2",null,"CC1=C(C(=O)Nc2ccccc2)SCCO1","CC=1OCCSC1C(=O)Nc2ccccc2"]
[3578,"5259-88-1","CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1","CC=1OCCS(C1C(=O)Nc2ccccc2)(=O)=O",null,"CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1","CC=1OCCS(C1C(=O)Nc2ccccc2)(=O)=O",null,"CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1","CC=1OCCS(C1C(=O)Nc2ccccc2)(=O)=O",null,"CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1","CC=1OCCS(C1C(=O)Nc2ccccc2)(=O)=O"]
[3579,"5270-62-2"]
[3580,"5292-21-7","O=C(O)CC1CCCCC1","O=C(O)CC1CCCCC1",null,"O=C(O)CC1CCCCC1","O=C(O)CC1CCCCC1",null,"O=C(O)CC1CCCCC1","O=C(O)CC1CCCCC1",null,"O=C(O)CC1CCCCC1","O=C(O)CC1CCCCC1"]
[3581,"5323-53-5","CCCCCCCCCCCCCCCCNC(=O)C(C)O","CCCCCCCCCCCCCCCCNC(=O)C(C)O",null,"CCCCCCCCCCCCCCCCNC(=O)C(C)O","CCCCCCCCCCCCCCCCNC(=O)C(C)O",null,"CCCCCCCCCCCCCCCCN=C(O)C(C)O","CCCCCCCCCCCCCCCCN=C(O)C(C)O",null,"CCCCCCCCCCCCCCCCN=C(O)C(C)O","CCCCCCCCCCCCCCCCN=C(O)C(C)O"]
[3582,"5323-54-6","CCCCCNC(=O)C(C)O","CCCCCNC(=O)C(C)O",null,"CCCCCNC(=O)C(C)O","CCCCCNC(=O)C(C)O",null,"CCCCCN=C(O)C(C)O","CCCCCN=C(O)C(C)O",null,"CCCCCN=C(O)C(C)O","CCCCCN=C(O)C(C)O"]
[3583,"5323-77-3",{"$nulls":3},"O=C(O)C1OCOC2C(CO)OCOC12","O=C(O)C1C2C(OCO1)C(CO)OCO2",{"$nulls":4},"O=C(O)C1OCOC2C(CO)OCOC12","O=C(O)C1C2C(OCO1)C(CO)OCO2"]
[3584,"5329-14-6","NS(=O)(=O)O","NS(=O)(=O)O",null,"NS(=O)(=O)O","NS(=O)(=O)O",null,"NS(=O)(=O)O","NS(=O)(=O)O",null,"NS(=O)(=O)O","NS(=O)(=O)O"]
[3585,"5329-55-5",{"$nulls":3},"OCC(O)C1OC(Oc2ccccc2)C(O)C(O)C1O","OCC(O)C1C(C(C(C(O1)Oc2ccccc2)O)O)O",{"$nulls":4},"OCC(O)C1OC(Oc2ccccc2)C(O)C(O)C1O","OCC(O)C1C(C(C(C(O1)Oc2ccccc2)O)O)O"]
[3586,"5332-35-4","CCCCCN1C(=O)CCC1=O","CCCCCN1C(CCC1=O)=O",null,"CCCCCN1C(=O)CCC1=O","CCCCCN1C(CCC1=O)=O",null,"CCCCCN1C(=O)CCC1=O","CCCCCN1C(CCC1=O)=O",null,"CCCCCN1C(=O)CCC1=O","CCCCCN1C(CCC1=O)=O"]
[3587,"5337-19-9",{"$nulls":3},"O=[N+]([O-])c1cccc(P(=O)(O)O)c1","O=[N+]([O-])c1cc(ccc1)P(=O)(O)O",{"$nulls":4},"O=[N+]([O-])c1cccc(P(=O)(O)O)c1","O=[N+]([O-])c1cc(ccc1)P(=O)(O)O"]
[3588,"5338-17-0","CCCCCCCCCCOC(=O)c1cccnc1","CCCCCCCCCCOC(=O)c1cnccc1",null,"CCCCCCCCCCOC(=O)c1cccnc1","CCCCCCCCCCOC(=O)c1cnccc1",null,"CCCCCCCCCCOC(=O)c1cccnc1","CCCCCCCCCCOC(=O)c1cnccc1",null,"CCCCCCCCCCOC(=O)c1cccnc1","CCCCCCCCCCOC(=O)c1cnccc1"]
[3589,"5338-45-4","CC(C)CC(NC=O)C(=O)O","CC(C)CC(NC=O)C(=O)O",null,"CC(C)CC(NC=O)C(=O)O","CC(C)CC(NC=O)C(=O)O",null,"CC(C)CC(N=CO)C(=O)O","CC(C)CC(N=CO)C(=O)O",null,"CC(C)CC(N=CO)C(=O)O","CC(C)CC(N=CO)C(=O)O"]
[3590,"5341-95-7","CC(O)C(C)O","CC(O)C(C)O",null,"CC(O)C(C)O","CC(O)C(C)O"]
[3591,"5347-82-0","CS(=O)(=O)NS(C)(=O)=O","CS(=O)(=O)NS(C)(=O)=O",null,"CS(=O)(=O)NS(C)(=O)=O","CS(=O)(=O)NS(C)(=O)=O",null,"CS(=O)(=O)NS(C)(=O)=O","CS(=O)(=O)NS(C)(=O)=O",null,"CS(=O)(=O)NS(C)(=O)=O","CS(=O)(=O)NS(C)(=O)=O"]
[3592,"5348-91-4"]
[3593,"5349-56-4","CCCOC(=O)CCOC","CCCOC(=O)CCOC",null,"CCCOC(=O)CCOC","CCCOC(=O)CCOC",{"$nulls":4},"CCCOC(=O)CCOC","CCCOC(=O)CCOC"]
[3594,"5370-08-1","COC(C=CC(OC)OC)OC","COC(C=CC(OC)OC)OC",null,"COC(C=CC(OC)OC)OC","COC(C=CC(OC)OC)OC"]
[3595,"5370-57-0","CC1=CCCN1C","CC=1N(CCC1)C",{"$nulls":4},"CC1=CCCN1C","CC=1N(CCC1)C",null,"CC1=CCCN1C","CC=1N(CCC1)C"]
[3596,"5392-40-5","CC(C)=CCCC(C)=CC=O","CC(C)=CCCC(C)=CC=O",null,"CC(C)=CCCC(C)=CC=O","CC(C)=CCCC(C)=CC=O",null,"CC(C)=CCCC(C)=CC=O","CC(C)=CCCC(C)=CC=O",null,"CC(C)=CCCC(C)=CC=O","CC(C)=CCCC(C)=CC=O"]
[3597,"5394-83-2","CC1(C(=O)O)CCC(C(=O)O)C1(C)C","CC1(C(C(CC1)C(=O)O)(C)C)C(=O)O",null,"CC1(C(=O)O)CCC(C(=O)O)C1(C)C","CC1(C(C(CC1)C(=O)O)(C)C)C(=O)O"]
[3598,"5395-21-1",{"$nulls":3},"NNP(=S)(NN)c1ccccc1","NNP(=S)(NN)c1ccccc1",{"$nulls":4},"NNP(=S)(NN)c1ccccc1","NNP(=S)(NN)c1ccccc1"]
[3599,"5397-04-6","CC(C)c1nc(N)nc(N)n1","CC(C)c1nc(nc(n1)N)N",null,"CC(C)c1nc(N)nc(N)n1","CC(C)c1nc(nc(n1)N)N",{"$nulls":4},"CC(C)c1nc(N)nc(N)n1","CC(C)c1nc(nc(n1)N)N"]
[3600,"5401-26-3","Nc1ccc(S(=O)(=O)c2ccc(N)cn2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ncc(cc2)N",null,"Nc1ccc(S(=O)(=O)c2ccc(N)cn2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ncc(cc2)N",null,"Nc1ccc(S(=O)(=O)c2ccc(N)cn2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ncc(cc2)N",null,"Nc1ccc(S(=O)(=O)c2ccc(N)cn2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ncc(cc2)N"]
[3601,"5406-14-4","Cc1cc(C)cc(OCC(=O)O)c1","Cc1cc(cc(c1)C)OCC(=O)O",null,"Cc1cc(C)cc(OCC(=O)O)c1","Cc1cc(cc(c1)C)OCC(=O)O",{"$nulls":4},"Cc1cc(C)cc(OCC(=O)O)c1","Cc1cc(cc(c1)C)OCC(=O)O"]
[3602,"5409-83-6","Clc1ccc2oc3ccc(Cl)cc3c2c1","Clc1cc2c(cc1)oc3c2cc(cc3)Cl",null,"Clc1ccc2oc3ccc(Cl)cc3c2c1","Clc1cc2c(cc1)oc3c2cc(cc3)Cl"]
[3603,"5415-44-1","Cn1c(=O)c2c([nH]c(=O)n2C)n(C)c1=O","Cn1c(n(c2c(c1=O)n(c([nH]2)=O)C)C)=O",null,"Cn1c(=O)c2c([nH]c(=O)n2C)n(C)c1=O","Cn1c(n(c2c(c1=O)n(c([nH]2)=O)C)C)=O",{"$nulls":4},"Cn1c(=O)c2c([nH]c(=O)n2C)n(C)c1=O","Cn1c(n(c2c(c1=O)n(c([nH]2)=O)C)C)=O"]
[3604,"5422-39-9","CCCCCCNC(=O)C(C)O","CCCCCCNC(=O)C(C)O",null,"CCCCCCNC(=O)C(C)O","CCCCCCNC(=O)C(C)O",null,"CCCCCCN=C(O)C(C)O","CCCCCCN=C(O)C(C)O",null,"CCCCCCN=C(O)C(C)O","CCCCCCN=C(O)C(C)O"]
[3605,"5422-69-5","CCCCOC(=O)C(C)OC(C)=O","CCCCOC(=O)C(C)OC(C)=O",null,"CCCCOC(=O)C(C)OC(C)=O","CCCCOC(=O)C(C)OC(C)=O",{"$nulls":4},"CCCCOC(=O)C(C)OC(C)=O","CCCCOC(=O)C(C)OC(C)=O"]
[3606,"5426-50-6",{"$nulls":3},"CCc1nc2c(c(=O)n(C)c(=O)n2C)n1C","CCc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",{"$nulls":4},"CCc1nc2c(c(=O)n(C)c(=O)n2C)n1C","CCc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C"]
[3607,"5426-97-1","N=C(N)NC(=N)Nc1ccc2ccccc2c1","N=C(N)NC(=N)Nc1cc2c(cc1)cccc2",null,"NC(N)=NC(N)=Nc1ccc2ccccc2c1","NC(N)=NC(N)=Nc1cc2c(cc1)cccc2",{"$nulls":4},"NC(N)=NC(N)=Nc1ccc2ccccc2c1","NC(N)=NC(N)=Nc1cc2c(cc1)cccc2"]
[3608,"5427-26-9","O=C(O)CC1NC(=O)NC1=O","O=C(O)CC1C(NC(N1)=O)=O",null,"O=C(O)CC1NC(=O)NC1=O","O=C(O)CC1C(NC(N1)=O)=O",null,"O=C(O)CC1N=C(O)N=C1O","O=C(O)CC1C(=NC(=N1)O)O",null,"O=C(O)CC1N=C(O)N=C1O","O=C(O)CC1C(=NC(=N1)O)O"]
[3609,"5428-54-6","Cc1ccc([N+](=O)[O-])cc1O","Cc1c(cc(cc1)[N+](=O)[O-])O",null,"Cc1ccc([N+](=O)[O-])cc1O","Cc1c(cc(cc1)[N+](=O)[O-])O",null,"Cc1ccc([N+](=O)[O-])cc1O","Cc1c(cc(cc1)[N+](=O)[O-])O",null,"Cc1ccc([N+](=O)[O-])cc1O","Cc1c(cc(cc1)[N+](=O)[O-])O"]
[3610,"5428-95-5",{"$nulls":3},"NC(=O)SCC(=O)Nc1ccccc1","NC(=O)SCC(=O)Nc1ccccc1",{"$nulls":4},"NC(=O)SCC(=O)Nc1ccccc1","NC(=O)SCC(=O)Nc1ccccc1"]
[3611,"5433-63-6",{"$nulls":3},"Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1","Cc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},"Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1","Cc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N"]
[3612,"5438-22-2",{"$nulls":3},"CCOC(=O)C(CC(=O)O)=C(c1ccccc1)c1ccccc1","CCOC(=O)C(CC(=O)O)=C(c1ccccc1)c2ccccc2",{"$nulls":4},"CCOC(=O)C(CC(=O)O)=C(c1ccccc1)c1ccccc1","CCOC(=O)C(CC(=O)O)=C(c1ccccc1)c2ccccc2"]
[3613,"5445-04-5",{"$nulls":9},"NC(CS(=O)(=O)c1ccc(Cl)cc1)C(=O)O","NC(CS(=O)(=O)c1ccc(cc1)Cl)C(=O)O"]
[3614,"5447-38-1","COc1cc(CC(=O)O)ccc1OC(C)=O","COc1c(ccc(c1)CC(=O)O)OC(C)=O",null,"COc1cc(CC(=O)O)ccc1OC(C)=O","COc1c(ccc(c1)CC(=O)O)OC(C)=O",null,"COc1cc(CC(=O)O)ccc1OC(C)=O","COc1c(ccc(c1)CC(=O)O)OC(C)=O",null,"COc1cc(CC(=O)O)ccc1OC(C)=O","COc1c(ccc(c1)CC(=O)O)OC(C)=O"]
[3615,"5453-13-4",{"$nulls":3},"Cn1cnc2nc(Cl)nc(NN)c21","Cn1c2c(nc1)nc(Cl)nc2NN",{"$nulls":4},"Cn1cnc2nc(Cl)nc(NN)c21","Cn1c2c(nc1)nc(Cl)nc2NN"]
[3616,"5456-14-4",{"$nulls":3},"CCOC(=O)c1c(C)oc(C)c(C(=O)OCC)c1=O","CCOC(=O)c1c(c(c(oc1C)C)C(=O)OCC)=O",{"$nulls":4},"CCOC(=O)c1c(C)oc(C)c(C(=O)OCC)c1=O","CCOC(=O)c1c(c(c(oc1C)C)C(=O)OCC)=O"]
[3617,"5459-50-7","Nc1cc([N+](=O)[O-])ccc1I","Nc1c(ccc(c1)[N+](=O)[O-])I",null,"Nc1cc([N+](=O)[O-])ccc1I","Nc1c(ccc(c1)[N+](=O)[O-])I",null,"Nc1cc([N+](=O)[O-])ccc1I","Nc1c(ccc(c1)[N+](=O)[O-])I",null,"Nc1cc([N+](=O)[O-])ccc1I","Nc1c(ccc(c1)[N+](=O)[O-])I"]
[3618,"5460-66-2","CC(OC(C)C(N)=O)C(N)=O","CC(OC(C)C(N)=O)C(N)=O",null,"CC(OC(C)C(N)=O)C(N)=O","CC(OC(C)C(N)=O)C(N)=O",null,"CC(OC(C)C(N)=O)C(N)=O","CC(OC(C)C(N)=O)C(N)=O",null,"CC(OC(C)C(N)=O)C(N)=O","CC(OC(C)C(N)=O)C(N)=O"]
[3619,"5464-31-3","CSCCC(NCCC#N)C(=O)O","CSCCC(NCCC#N)C(=O)O",{"$nulls":7},"CSCCC(NCCC#N)C(=O)O","CSCCC(NCCC#N)C(=O)O"]
[3620,"5464-34-6",{"$nulls":9},"CC(C(=O)O)N(CCC#N)CCC#N","CC(C(=O)O)N(CCC#N)CCC#N"]
[3621,"5464-39-1","N#CCCN(CCC#N)C(CCC(=O)O)C(=O)O","N#CCCN(CCC#N)C(CCC(=O)O)C(=O)O",null,"N#CCCN(CCC#N)C(CCC(=O)O)C(=O)O","N#CCCN(CCC#N)C(CCC(=O)O)C(=O)O",null,"N#CCCN(CCC#N)C(CCC(=O)O)C(=O)O","N#CCCN(CCC#N)C(CCC(=O)O)C(=O)O",null,"N#CCCN(CCC#N)C(CCC(=O)O)C(=O)O","N#CCCN(CCC#N)C(CCC(=O)O)C(=O)O"]
[3622,"5464-40-4","CSCCC(C(=O)O)N(CCC#N)CCC#N","CSCCC(C(=O)O)N(CCC#N)CCC#N",{"$nulls":7},"CSCCC(C(=O)O)N(CCC#N)CCC#N","CSCCC(C(=O)O)N(CCC#N)CCC#N"]
[3623,"5464-71-1","CCCCCCCCOC(=O)C(C)O","CCCCCCCCOC(=O)C(C)O",null,"CCCCCCCCOC(=O)C(C)O","CCCCCCCCOC(=O)C(C)O",null,"CCCCCCCCOC(=O)C(C)O","CCCCCCCCOC(=O)C(C)O",null,"CCCCCCCCOC(=O)C(C)O","CCCCCCCCOC(=O)C(C)O"]
[3624,"5466-36-4",{"$nulls":3},"CCCc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","CCCc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N"]
[3625,"5466-88-6","O=C1COc2ccccc2N1","O=C1Nc2c(OC1)cccc2",null,"O=C1COc2ccccc2N1","O=C1Nc2c(OC1)cccc2",null,"O=C1COc2ccccc2N1","O=C1Nc2c(OC1)cccc2",null,"O=C1COc2ccccc2N1","O=C1Nc2c(OC1)cccc2"]
[3626,"5469-23-8"]
[3627,"5469-28-3","CCCC(=CC(=O)O)C(=O)O","CCCC(=CC(=O)O)C(=O)O",null,"CCCC(=CC(=O)O)C(=O)O","CCCC(=CC(=O)O)C(=O)O",{"$nulls":4},"CCCC(=CC(=O)O)C(=O)O","CCCC(=CC(=O)O)C(=O)O"]
[3628,"5470-28-0","CCOC(=O)N1CCN(C(=O)OCC)CC1","CCOC(=O)N1CCN(CC1)C(=O)OCC",null,"CCOC(=O)N1CCN(C(=O)OCC)CC1","CCOC(=O)N1CCN(CC1)C(=O)OCC",null,"CCOC(=O)N1CCN(C(=O)OCC)CC1","CCOC(=O)N1CCN(CC1)C(=O)OCC",null,"CCOC(=O)N1CCN(C(=O)OCC)CC1","CCOC(=O)N1CCN(CC1)C(=O)OCC"]
[3629,"5510-99-6","CCC(C)c1cccc(C(C)CC)c1O","CCC(C)c1c(c(ccc1)C(C)CC)O",null,"CCC(C)c1cccc(C(C)CC)c1O","CCC(C)c1c(c(ccc1)C(C)CC)O",null,"CCC(C)c1cccc(C(C)CC)c1O","CCC(C)c1c(c(ccc1)C(C)CC)O",null,"CCC(C)c1cccc(C(C)CC)c1O","CCC(C)c1c(c(ccc1)C(C)CC)O"]
[3630,"5522-43-0","O=[N+]([O-])c1ccc2ccc3cccc4ccc1c2c34","O=[N+]([O-])c1c2ccc3cccc4ccc(cc1)c2c43",null,"O=[N+]([O-])c1ccc2ccc3cccc4ccc1c2c34","O=[N+]([O-])c1c2ccc3cccc4ccc(cc1)c2c43",null,"O=[N+]([O-])c1ccc2ccc3cccc4ccc1c2c34","O=[N+]([O-])c1c2ccc3cccc4ccc(cc1)c2c43",null,"O=[N+]([O-])c1ccc2ccc3cccc4ccc1c2c34","O=[N+]([O-])c1c2ccc3cccc4ccc(cc1)c2c43"]
[3631,"5579-89-5",{"$nulls":3},"CCN(N=Cc1ccc([N+](=O)[O-])o1)C(N)=O","CCN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O",{"$nulls":4},"CCN(N=Cc1ccc([N+](=O)[O-])o1)C(N)=O","CCN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O"]
[3632,"5581-75-9","O=C(O)CCCCCc1ccccc1","O=C(O)CCCCCc1ccccc1",null,"O=C(O)CCCCCc1ccccc1","O=C(O)CCCCCc1ccccc1",{"$nulls":4},"O=C(O)CCCCCc1ccccc1","O=C(O)CCCCCc1ccccc1"]
[3633,"5582-82-1","CCCCC(C)(O)CC","CCCCC(C)(O)CC",null,"CCCCC(C)(O)CC","CCCCC(C)(O)CC"]
[3634,"5587-63-3",{"$nulls":3},"CC1=C(C(=O)O)CCC1(C)C","CC=1C(CCC1C(=O)O)(C)C",null,"CC1=C(C(=O)O)CCC1(C)C","CC=1C(CCC1C(=O)O)(C)C",null,"CC1=C(C(=O)O)CCC1(C)C","CC=1C(CCC1C(=O)O)(C)C"]
[3635,"5598-13-0","COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl","COP(=S)(OC)Oc1c(cc(c(n1)Cl)Cl)Cl",null,"COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl","COP(=S)(OC)Oc1c(cc(c(n1)Cl)Cl)Cl",null,"COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl","COP(=S)(OC)Oc1c(cc(c(n1)Cl)Cl)Cl",null,"COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl","COP(=S)(OC)Oc1c(cc(c(n1)Cl)Cl)Cl"]
[3636,"5611-51-8","CC(C)(C)CC(=O)OCC(=O)C12OC(C)(C)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C","CC(C)(C)CC(=O)OCC(=O)C12C(OC(O1)(C)C)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C",null,"CC(C)(C)CC(=O)OCC(=O)C12OC(C)(C)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C","CC(C)(C)CC(=O)OCC(=O)C12C(OC(O1)(C)C)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C",null,"CC(C)(C)CC(=O)OCC(=O)C12OC(C)(C)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C","CC(C)(C)CC(=O)OCC(=O)C12C(OC(O1)(C)C)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C",null,"CC(C)(C)CC(=O)OCC(=O)C12OC(C)(C)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C","CC(C)(C)CC(=O)OCC(=O)C12C(OC(O1)(C)C)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C"]
[3637,"5614-38-0","CCOC1CC1","CCOC1CC1",null,"CCOC1CC1","CCOC1CC1",null,"CCOC1CC1","CCOC1CC1",null,"CCOC1CC1","CCOC1CC1"]
[3638,"5614-52-8"]
[3639,"5614-53-9",{"$nulls":9},"Cn1c(=O)c2c(ncn2CC=O)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)CC=O)C)=O"]
[3640,"5614-56-2",{"$nulls":3},"Cn1cnc2c1c(=O)n(CC(=O)[O-])c(=O)n2C","Cn1c2c(nc1)n(c(n(c2=O)CC(=O)O)=O)C",{"$nulls":4},"Cn1cnc2c1c(=O)n(CC(=O)O)c(=O)n2C","Cn1c2c(nc1)n(c(n(c2=O)CC(=O)O)=O)C"]
[3641,"5625-46-7","CC1NC(=O)C(C)NC1=O","CC1C(NC(C(N1)=O)C)=O",null,"CC1NC(=O)C(C)NC1=O","CC1C(NC(C(N1)=O)C)=O"]
[3642,"5625-49-0",{"$nulls":6},"OC1=NC(Cc2ccc(O)cc2)C(O)=NC1","OC=1CN=C(C(N1)Cc2ccc(cc2)O)O",null,"OC1=NC(Cc2ccc(O)cc2)C(O)=NC1","OC=1CN=C(C(N1)Cc2ccc(cc2)O)O"]
[3643,"5626-54-0","O=C1CCC(C(=O)Nc2ccccc2)N1","O=C1NC(CC1)C(=O)Nc2ccccc2"]
[3644,"5633-55-6","Oc1ccc(Sc2ccccc2)cc1","Oc1ccc(cc1)Sc2ccccc2",{"$nulls":4},"Oc1ccc(Sc2ccccc2)cc1","Oc1ccc(cc1)Sc2ccccc2",null,"Oc1ccc(Sc2ccccc2)cc1","Oc1ccc(cc1)Sc2ccccc2"]
[3645,"5636-83-9","CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1","CC(C=1c2c(CC1CCN(C)C)cccc2)c3ncccc3",null,"CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1","CC(C=1c2c(CC1CCN(C)C)cccc2)c3ncccc3",null,"CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1","CC(C=1c2c(CC1CCN(C)C)cccc2)c3ncccc3",null,"CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1","CC(C=1c2c(CC1CCN(C)C)cccc2)c3ncccc3"]
[3646,"5648-29-3","CCOCOCOCC","CCOCOCOCC"]
[3647,"5651-01-4","O=C(O)C(=O)Nc1ccccc1C(=O)O","O=C(O)C(=O)Nc1c(cccc1)C(=O)O"]
[3648,"5657-01-2","O=C1OCc2ccc3ccccc3c21","O=C1c2c(CO1)ccc3c2cccc3",null,"O=C1OCc2ccc3ccccc3c21","O=C1c2c(CO1)ccc3c2cccc3",null,"O=C1OCc2ccc3ccccc3c21","O=C1c2c(CO1)ccc3c2cccc3",null,"O=C1OCc2ccc3ccccc3c21","O=C1c2c(CO1)ccc3c2cccc3"]
[3649,"5657-19-2","O=C(O)CNC(=O)c1ccco1","O=C(O)CNC(=O)c1occc1",null,"O=C(O)CNC(=O)c1ccco1","O=C(O)CNC(=O)c1occc1",null,"O=C(O)CNC(=O)c1ccco1","O=C(O)CNC(=O)c1occc1",null,"O=C(O)CNC(=O)c1ccco1","O=C(O)CNC(=O)c1occc1"]
[3650,"5657-20-5","O=C(NC(C(=O)O)c1ccccc1)c1ccco1","O=C(NC(C(=O)O)c1ccccc1)c2occc2",null,"C#CCOc1c(I)cc(I)cc1C=NNC(=O)Cn1nnc(-c2ccccc2Cl)n1","C#CCOc1c(cc(cc1I)I)C=NNC(=O)Cn2nc(nn2)-c3c(cccc3)Cl",{"$nulls":4},"C#CCOc1c(I)cc(I)cc1C=NNC(=O)Cn1nnc(-c2ccccc2Cl)n1","C#CCOc1c(cc(cc1I)I)C=NNC(=O)Cn2nc(nn2)-c3c(cccc3)Cl"]
[3651,"5663-15-0","CCCC1OCC(C)([N+](=O)[O-])CO1","CCCC1OCC(CO1)(C)[N+](=O)[O-]",null,"CCCC1OCC(C)([N+](=O)[O-])CO1","CCCC1OCC(CO1)(C)[N+](=O)[O-]",{"$nulls":4},"CCCC1OCC(C)([N+](=O)[O-])CO1","CCCC1OCC(CO1)(C)[N+](=O)[O-]"]
[3652,"5664-51-7",{"$nulls":3},"Nc1ccc(S(=O)(=O)Nc2ncc(C(=O)O)s2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2sc(cn2)C(=O)O"]
[3653,"5666-23-9","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O"]
[3654,"5692-97-7","CCC(CC)(CC(=O)O)C(=O)O","CCC(CC)(CC(=O)O)C(=O)O",null,"CCC(CC)(CC(=O)O)C(=O)O","CCC(CC)(CC(=O)O)C(=O)O",null,"CCC(CC)(CC(=O)O)C(=O)O","CCC(CC)(CC(=O)O)C(=O)O",null,"CCC(CC)(CC(=O)O)C(=O)O","CCC(CC)(CC(=O)O)C(=O)O"]
[3655,"5695-95-4","O=C(O)C(O)C(O)c1ccccc1","O=C(O)C(O)C(O)c1ccccc1",{"$nulls":4},"O=C(O)C(O)C(O)c1ccccc1","O=C(O)C(O)C(O)c1ccccc1",null,"O=C(O)C(O)C(O)c1ccccc1","O=C(O)C(O)C(O)c1ccccc1"]
[3656,"5699-58-1","CC(=O)CC(=O)C(=O)O","CC(=O)CC(=O)C(=O)O",null,"CC(=O)CC(=O)C(=O)O","CC(=O)CC(=O)C(=O)O",null,"CC(=O)CC(=O)C(=O)O","CC(=O)CC(=O)C(=O)O",null,"CC(=O)CC(=O)C(=O)O","CC(=O)CC(=O)C(=O)O"]
[3657,"5707-59-5","CC=C(Cc1ccccc1)C(=O)O","CC=C(Cc1ccccc1)C(=O)O"]
[3658,"5739-18-4","CC(O)(CCC(C)(O)C(=O)O)C(=O)O","CC(O)(CCC(C)(O)C(=O)O)C(=O)O"]
[3659,"5756-69-4","CN(O)N=Nc1ccccc1","CN(O)N=Nc1ccccc1",null,"CN(O)N=Nc1ccccc1","CN(O)N=Nc1ccccc1"]
[3660,"5768-40-1","O=C(O)c1ccc(NC(=O)c2cccnc2)cc1","O=C(O)c1ccc(cc1)NC(=O)c2cnccc2",null,"O=C(O)c1ccc(NC(=O)c2cccnc2)cc1","O=C(O)c1ccc(cc1)NC(=O)c2cnccc2",null,"O=C(O)c1ccc(NC(=O)c2cccnc2)cc1","O=C(O)c1ccc(cc1)NC(=O)c2cnccc2",null,"O=C(O)c1ccc(NC(=O)c2cccnc2)cc1","O=C(O)c1ccc(cc1)NC(=O)c2cnccc2"]
[3661,"5769-37-9"]
[3662,"5774-26-5","CCOC(OCC)C(C)=O","CCOC(OCC)C(C)=O",null,"CCOC(OCC)C(C)=O","CCOC(OCC)C(C)=O",null,"CCOC(OCC)C(C)=O","CCOC(OCC)C(C)=O",null,"CCOC(OCC)C(C)=O","CCOC(OCC)C(C)=O"]
[3663,"5796-17-8","NC(Cc1ccc(O)c(O)c1)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O",null,"NC(Cc1ccc(O)c(O)c1)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O",null,"NC(Cc1ccc(O)c(O)c1)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O",null,"NC(Cc1ccc(O)c(O)c1)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O"]
[3664,"5811-50-7",{"$nulls":3},"CC(SC(C)C(=O)O)C(=O)O","CC(SC(C)C(=O)O)C(=O)O",{"$nulls":4},"CC(SC(C)C(=O)O)C(=O)O","CC(SC(C)C(=O)O)C(=O)O"]
[3665,"5815-65-6",{"$nulls":3},"Cn1cnc2c1c(=O)n(CCC(=O)O)c(=O)n2C","Cn1c2c(nc1)n(c(n(c2=O)CCC(=O)O)=O)C",{"$nulls":4},"Cn1cnc2c1c(=O)n(CCC(=O)O)c(=O)n2C","Cn1c2c(nc1)n(c(n(c2=O)CCC(=O)O)=O)C"]
[3666,"5819-08-9","O=S(CCCl)CCCl","O=S(CCCl)CCCl",null,"O=S(CCCl)CCCl","O=S(CCCl)CCCl",null,"O=S(CCCl)CCCl","O=S(CCCl)CCCl",null,"O=S(CCCl)CCCl","O=S(CCCl)CCCl"]
[3667,"5826-73-3",{"$nulls":3},"COC(=O)C1C2C=CC(C2)C1C(=O)OC","COC(=O)C1C(C2C=CC1C2)C(=O)OC",{"$nulls":4},"COC(=O)C1C2C=CC(C2)C1C(=O)OC","COC(=O)C1C(C2C=CC1C2)C(=O)OC"]
[3668,"5827-05-4","CCS(=O)CSP(=S)(OC(C)C)OC(C)C","CCS(=O)CSP(=S)(OC(C)C)OC(C)C",null,"CCS(=O)CSP(=S)(OC(C)C)OC(C)C","CCS(=O)CSP(=S)(OC(C)C)OC(C)C",null,"CCS(=O)CSP(=S)(OC(C)C)OC(C)C","CCS(=O)CSP(=S)(OC(C)C)OC(C)C",null,"CCS(=O)CSP(=S)(OC(C)C)OC(C)C","CCS(=O)CSP(=S)(OC(C)C)OC(C)C"]
[3669,"5834-63-9",{"$nulls":3},"O=C1CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCN1","O=C1NCCCCCC(NCCCCCC(NCCCCCC(NCCCCC1)=O)=O)=O",{"$nulls":4},"O=C1CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCN1","O=C1NCCCCCC(NCCCCCC(NCCCCCC(NCCCCC1)=O)=O)=O"]
[3670,"5834-84-4",{"$nulls":3},"CCCOC(=O)CCC(=O)N(CC)CC","CCCOC(=O)CCC(=O)N(CC)CC",{"$nulls":4},"CCCOC(=O)CCC(=O)N(CC)CC","CCCOC(=O)CCC(=O)N(CC)CC"]
[3671,"5836-10-2","CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1","CC(C)OC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl",null,"CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1","CC(C)OC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl",null,"CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1","CC(C)OC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl",null,"CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1","CC(C)OC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl"]
[3672,"5836-29-3",{"$nulls":3},"O=c1c(C2CCCc3ccccc32)c(O)oc2ccccc12","O=c1c2c(oc(c1C3c4c(CCC3)cccc4)O)cccc2",{"$nulls":4},"O=c1oc2ccccc2c(O)c1C1CCCc2ccccc21","O=c1c(c(c2c(o1)cccc2)O)C3c4c(CCC3)cccc4"]
[3673,"5847-59-6","O=[N+]([O-])c1ccc(O)c(Br)c1","O=[N+]([O-])c1cc(c(cc1)O)Br",null,"O=[N+]([O-])c1ccc(O)c(Br)c1","O=[N+]([O-])c1cc(c(cc1)O)Br",null,"O=[N+]([O-])c1ccc(O)c(Br)c1","O=[N+]([O-])c1cc(c(cc1)O)Br",null,"O=[N+]([O-])c1ccc(O)c(Br)c1","O=[N+]([O-])c1cc(c(cc1)O)Br"]
[3674,"5862-40-8","CC(=O)OCCS","CC(=O)OCCS",null,"CC(=O)OCCS","CC(=O)OCCS",null,"CC(=O)OCCS","CC(=O)OCCS",null,"CC(=O)OCCS","CC(=O)OCCS"]
[3675,"5893-10-7","CC(NC=O)C(=O)O","CC(NC=O)C(=O)O",null,"CCCCCCc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)NCCCOCC)c2)cc1","CCCCCCc1ccc(cc1)C(=O)Nc2cc(c(cc2)N3CCCC3)C(=O)NCCCOCC",null,"CC(N=CO)C(=O)O","CC(N=CO)C(=O)O",null,"CC(N=CO)C(=O)O","CC(N=CO)C(=O)O"]
[3676,"5902-51-2","Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Cl","Cc1c(c(n(c([nH]1)=O)C(C)(C)C)=O)Cl",null,"Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Cl","Cc1c(c(n(c([nH]1)=O)C(C)(C)C)=O)Cl",null,"Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Cl","Cc1c(c(n(c([nH]1)=O)C(C)(C)C)=O)Cl",null,"Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Cl","Cc1c(c(n(c([nH]1)=O)C(C)(C)C)=O)Cl"]
[3677,"5915-41-3","CCNc1nc(Cl)nc(NC(C)(C)C)n1","CCNc1nc(nc(n1)Cl)NC(C)(C)C",null,"CCNc1nc(Cl)nc(NC(C)(C)C)n1","CCNc1nc(nc(n1)Cl)NC(C)(C)C",null,"CCNc1nc(Cl)nc(NC(C)(C)C)n1","CCNc1nc(nc(n1)Cl)NC(C)(C)C",null,"CCNc1nc(Cl)nc(NC(C)(C)C)n1","CCNc1nc(nc(n1)Cl)NC(C)(C)C"]
[3678,"5930-71-2","COP(=O)(OC)OOP(=S)(OC)OC","COP(=O)(OC)OOP(=S)(OC)OC",null,"COP(=S)(OC)SSP(=S)(OC)OC","COP(=S)(OC)SSP(=S)(OC)OC",null,"COP(=S)(OC)SSP(=S)(OC)OC","COP(=S)(OC)SSP(=S)(OC)OC",null,"COP(=S)(OC)SSP(=S)(OC)OC","COP(=S)(OC)SSP(=S)(OC)OC"]
[3679,"5932-79-6","CCCCCC(O)CCC","CCCCCC(O)CCC",null,"CCCCCC(O)CCC","CCCCCC(O)CCC",null,"CCCCCC(O)CCC","CCCCCC(O)CCC",null,"CCCCCC(O)CCC","CCCCCC(O)CCC"]
[3680,"5934-39-4","NC(=O)NN=CC(O)C(O)C(O)CO","NC(=O)NN=CC(O)C(O)C(O)CO",{"$nulls":4},"N=C(O)NN=CC(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)CO",null,"N=C(O)NN=CC(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)CO"]
[3681,"5942-96-1","CCOC(=O)c1ccc(=O)oc1","CCOC(=O)c1coc(cc1)=O",null,"CCOC(=O)c1ccc(=O)oc1","CCOC(=O)c1coc(cc1)=O",null,"CCOC(=O)c1ccc(=O)oc1","CCOC(=O)c1coc(cc1)=O",null,"CCOC(=O)c1ccc(=O)oc1","CCOC(=O)c1coc(cc1)=O"]
[3682,"5949-29-1",{"$nulls":3},"O=C(O)CC(O)(CC(=O)O)C(=O)O","O=C(O)CC(O)(CC(=O)O)C(=O)O","O(1)",{"$nulls":3},"O=C(O)CC(O)(CC(=O)O)C(=O)O","O=C(O)CC(O)(CC(=O)O)C(=O)O","O(1)"]
[3683,"5962-23-2","CCCc1nc(N)nc(N)n1","CCCc1nc(nc(n1)N)N",null,"CCCc1nc(N)nc(N)n1","CCCc1nc(nc(n1)N)N",{"$nulls":4},"CCCc1nc(N)nc(N)n1","CCCc1nc(nc(n1)N)N"]
[3684,"5962-25-4"]
[3685,"5962-42-5","O=C(O)CCP(=O)(O)O","O=C(O)CCP(=O)(O)O",null,"O=C(O)CCP(=O)(O)O","O=C(O)CCP(=O)(O)O",null,"O=C(O)CCP(=O)(O)O","O=C(O)CCP(=O)(O)O",null,"O=C(O)CCP(=O)(O)O","O=C(O)CCP(=O)(O)O"]
[3686,"5962-45-8","CC([Se]C(C)C(=O)O)C(=O)O","CC([Se]C(C)C(=O)O)C(=O)O"]
[3687,"5965-66-2",{"$nulls":3},"OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",{"$nulls":4},"OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O"]
[3688,"5989-27-5","C=C(C)C1CC=C(C)CC1","C=C(C)C1CCC(=CC1)C",null,"C=C(C)C1CC=C(C)CC1","C=C(C)C1CCC(=CC1)C",null,"C=C(C)C1CC=C(C)CC1","C=C(C)C1CCC(=CC1)C",null,"C=C(C)C1CC=C(C)CC1","C=C(C)C1CCC(=CC1)C"]
[3689,"6006-58-2","CCN(CC)CCSCCN(CC)CC","CCN(CC)CCSCCN(CC)CC",null,"CCN(CC)CCSCCN(CC)CC","CCN(CC)CCSCCN(CC)CC",null,"CCN(CC)CCSCCN(CC)CC","CCN(CC)CCSCCN(CC)CC",null,"CCN(CC)CCSCCN(CC)CC","CCN(CC)CCSCCN(CC)CC"]
[3690,"6009-81-0",{"$nulls":3},"CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","O(1)"]
[3691,"6032-29-7","CCCC(C)O","CCCC(C)O",null,"CCCC(C)O","CCCC(C)O",null,"CCCC(C)O","CCCC(C)O",null,"CCCC(C)O","CCCC(C)O"]
[3692,"6035-40-1","COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC",null,"COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC",null,"COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC"]
[3693,"6049-47-4","CC(=O)CC(CC(=O)O)c1ccccc1","CC(=O)CC(CC(=O)O)c1ccccc1",{"$nulls":4},"CC(=O)CC(CC(=O)O)c1ccccc1","CC(=O)CC(CC(=O)O)c1ccccc1",null,"CC(=O)CC(CC(=O)O)c1ccccc1","CC(=O)CC(CC(=O)O)c1ccccc1"]
[3694,"6050-26-6","CCC(=O)NC(=O)CC","CCC(=O)NC(=O)CC",null,"CCC(=O)NC(=O)CC","CCC(=O)NC(=O)CC",null,"CCC(=O)NC(=O)CC","CCC(=O)NC(=O)CC",null,"CCC(=O)NC(=O)CC","CCC(=O)NC(=O)CC"]
[3695,"6050-42-6",{"$nulls":3},"CC1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)Nc2ccccc2)C1","CC1Cc2c(CC1)c(c(s2)NC(=O)c3cnccc3)C(=O)Nc4ccccc4",{"$nulls":4},"CC1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)Nc2ccccc2)C1","CC1Cc2c(CC1)c(c(s2)NC(=O)c3cnccc3)C(=O)Nc4ccccc4"]
[3696,"6052-13-7","CCN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-]","CCN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"CCN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-]","CCN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"CCN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-]","CCN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"CCN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-]","CCN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"]
[3697,"6052-15-9","Nc1ccc(C#Cc2ccc(N)cc2)cc1","Nc1ccc(cc1)C#Cc2ccc(cc2)N",null,"Nc1ccc(C#Cc2ccc(N)cc2)cc1","Nc1ccc(cc1)C#Cc2ccc(cc2)N",null,"Nc1ccc(C#Cc2ccc(N)cc2)cc1","Nc1ccc(cc1)C#Cc2ccc(cc2)N",null,"Nc1ccc(C#Cc2ccc(N)cc2)cc1","Nc1ccc(cc1)C#Cc2ccc(cc2)N"]
[3698,"6054-99-5",{"$nulls":9},"O=C([O-])c1cc(N=Nc2ccc(S(=O)(=O)[O-])cc2)ccc1O","O=C(O)c1c(ccc(c1)N=Nc2ccc(cc2)S(=O)(=O)O)O","C.I(1), [Na+](2)"]
[3699,"6079-73-8","O=C(O)c1ccccc1C(=O)c1ccccc1O","O=C(O)c1c(cccc1)C(=O)c2c(cccc2)O",{"$nulls":4},"O=C(O)c1ccccc1C(=O)c1ccccc1O","O=C(O)c1c(cccc1)C(=O)c2c(cccc2)O",null,"O=C(O)c1ccccc1C(=O)c1ccccc1O","O=C(O)c1c(cccc1)C(=O)c2c(cccc2)O"]
[3700,"6093-30-7","O=C(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])c1ccccc1C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=C(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])c1c(cccc1)C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]"]
[3701,"6111-61-1","CCC(O)C(Cl)(Cl)Cl","CCC(O)C(Cl)(Cl)Cl"]
[3702,"6117-91-5","CC=CCO","CC=CCO",null,"CC=CCO","CC=CCO",null,"CC=CCO","CC=CCO",null,"CC=CCO","CC=CCO"]
[3703,"6119-53-5","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","OP=O(1)","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","OP=O(1)"]
[3704,"6135-52-0","CC(C)CC1OCCO1","CC(C)CC1OCCO1",{"$nulls":4},"CC(C)CC1OCCO1","CC(C)CC1OCCO1",null,"CC(C)CC1OCCO1","CC(C)CC1OCCO1"]
[3705,"6138-01-8","Nc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2sc3c(n2)cccc3",null,"Nc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2sc3c(n2)cccc3"]
[3706,"6142-53-6","O=C1CCCCCCCCN1","O=C1NCCCCCCCC1",{"$nulls":4},"OC1=NCCCCCCCC1","OC=1CCCCCCCCN1",null,"OC1=NCCCCCCCC1","OC=1CCCCCCCCN1"]
[3707,"6154-14-9","CNCl","CNCl",null,"CNCl","CNCl",null,"CNCl","CNCl",null,"CNCl","CNCl"]
[3708,"6159-60-0","COc1ccc(C(=O)O)cc1OC","COc1c(cc(cc1)C(=O)O)OC","O(1)"]
[3709,"6164-98-3","Cc1cc(Cl)ccc1N=CN(C)C","Cc1c(ccc(c1)Cl)N=CN(C)C",null,"Cc1cc(Cl)ccc1N=CN(C)C","Cc1c(ccc(c1)Cl)N=CN(C)C",null,"Cc1cc(Cl)ccc1N=CN(C)C","Cc1c(ccc(c1)Cl)N=CN(C)C",null,"Cc1cc(Cl)ccc1N=CN(C)C","Cc1c(ccc(c1)Cl)N=CN(C)C"]
[3710,"6169-06-8","CCCCCCC(C)O","CCCCCCC(C)O",null,"CCCCCCC(C)O","CCCCCCC(C)O",null,"CCCCCCC(C)O","CCCCCCC(C)O",null,"CCCCCCC(C)O","CCCCCCC(C)O"]
[3711,"6170-45-2"]
[3712,"6190-65-4","CC(C)Nc1nc(N)nc(Cl)n1","CC(C)Nc1nc(nc(n1)N)Cl",null,"CC(C)Nc1nc(N)nc(Cl)n1","CC(C)Nc1nc(nc(n1)N)Cl",null,"CC(C)Nc1nc(N)nc(Cl)n1","CC(C)Nc1nc(nc(n1)N)Cl",null,"CC(C)Nc1nc(N)nc(Cl)n1","CC(C)Nc1nc(nc(n1)N)Cl"]
[3713,"6192-44-5","OCCOc1ccccc1","OCCOc1ccccc1","CC(O)=O(1)","CC(=O)OCCOc1ccccc1","CC(=O)OCCOc1ccccc1"]
[3714,"6213-90-7","CC(Cl)=CC(=O)O","CC(Cl)=CC(=O)O",null,"CC(Cl)=CC(=O)O","CC(Cl)=CC(=O)O",{"$nulls":4},"CC(Cl)=CC(=O)O","CC(Cl)=CC(=O)O"]
[3715,"6214-28-4","CC(Cl)=CC(=O)O","CC(Cl)=CC(=O)O",null,"CC(Cl)=CC(=O)O","CC(Cl)=CC(=O)O"]
[3716,"6220-25-3","O=C(O)C(S)CS","O=C(O)C(S)CS",null,"O=C(O)C(S)CS","O=C(O)C(S)CS",null,"O=C(O)C(S)CS","O=C(O)C(S)CS",null,"O=C(O)C(S)CS","O=C(O)C(S)CS"]
[3717,"6228-62-2","O=C(O)C[Se]CC(=O)O","O=C(O)C[Se]CC(=O)O",null,"O=C(O)C[Se]CC(=O)O","O=C(O)C[Se]CC(=O)O",null,"O=C(O)C[Se]CC(=O)O","O=C(O)C[Se]CC(=O)O",null,"O=C(O)C[Se]CC(=O)O","O=C(O)C[Se]CC(=O)O"]
[3718,"6236-05-1","O=[N+]([O-])c1ccc(C=NO)o1","O=[N+]([O-])c1oc(cc1)C=NO",null,"O=[N+]([O-])c1ccc(C=NO)o1","O=[N+]([O-])c1oc(cc1)C=NO",null,"O=[N+]([O-])c1ccc(C=NO)o1","O=[N+]([O-])c1oc(cc1)C=NO",null,"O=[N+]([O-])c1ccc(C=NO)o1","O=[N+]([O-])c1oc(cc1)C=NO"]
[3719,"6245-33-6","O=C(O)c1cc(-n2nc3ccccc3n2)ccc1O","O=C(O)c1c(ccc(c1)-n2nc3c(n2)cccc3)O"]
[3720,"6248-28-8","O=C1CCCCCN1C(=O)c1ccccc1","O=C1N(CCCCC1)C(=O)c2ccccc2",null,"O=C1CCCCCN1C(=O)c1ccccc1","O=C1N(CCCCC1)C(=O)c2ccccc2",null,"O=C1CCCCCN1C(=O)c1ccccc1","O=C1N(CCCCC1)C(=O)c2ccccc2",null,"O=C1CCCCCN1C(=O)c1ccccc1","O=C1N(CCCCC1)C(=O)c2ccccc2"]
[3721,"6253-10-7","O=C1C=CC(=NNc2ccc(N=Nc3ccccc3)c3ccccc23)C=C1","O=C1C=CC(C=C1)=NNc2c3c(c(cc2)N=Nc4ccccc4)cccc3","C.I(1)","O=C1C=CC(=NNc2ccc(N=Nc3ccccc3)c3ccccc23)C=C1","O=C1C=CC(C=C1)=NNc2c3c(c(cc2)N=Nc4ccccc4)cccc3","C.I(1)","Oc1ccc(N=Nc2ccc(N=Nc3ccccc3)c3ccccc23)cc1","Oc1ccc(cc1)N=Nc2c3c(c(cc2)N=Nc4ccccc4)cccc3","C.I(1)","Oc1ccc(N=Nc2ccc(N=Nc3ccccc3)c3ccccc23)cc1","Oc1ccc(cc1)N=Nc2c3c(c(cc2)N=Nc4ccccc4)cccc3","C.I(1)",null,"Organic counterion"]
[3722,"6262-27-7","O=C(Nc1ccccc1)c1cc(O)c(O)c(O)c1","O=C(Nc1ccccc1)c2cc(c(c(c2)O)O)O",null,"O=C(Nc1ccccc1)c1cc(O)c(O)c(O)c1","O=C(Nc1ccccc1)c2cc(c(c(c2)O)O)O",null,"O=C(Nc1ccccc1)c1cc(O)c(O)c(O)c1","O=C(Nc1ccccc1)c2cc(c(c(c2)O)O)O",null,"O=C(Nc1ccccc1)c1cc(O)c(O)c(O)c1","O=C(Nc1ccccc1)c2cc(c(c(c2)O)O)O"]
[3723,"6266-05-3","CC1(C)C2CCC1(C)C(N)(C(=O)O)C2","CC1(C2(CCC1CC2(N)C(=O)O)C)C",null,"CC1(C)C2CCC1(C)C(N)(C(=O)O)C2","CC1(C2(CCC1CC2(N)C(=O)O)C)C",null,"CC1(C)C2CCC1(C)C(N)(C(=O)O)C2","CC1(C2(CCC1CC2(N)C(=O)O)C)C",null,"CC1(C)C2CCC1(C)C(N)(C(=O)O)C2","CC1(C2(CCC1CC2(N)C(=O)O)C)C"]
[3724,"6274-12-0","Br","Br","CCNCC(1)","[Br-]","Br","CC[NH2+]CC(1)","Br","Br","CCNCC(1)","Br","Br","CCNCC(1)",null,"Organic counterion"]
[3725,"6274-28-8","Cc1ccc(S(N)(=O)=O)cc1N","Cc1c(cc(cc1)S(N)(=O)=O)N",null,"Cc1ccc(S(N)(=O)=O)cc1N","Cc1c(cc(cc1)S(N)(=O)=O)N",null,"Cc1ccc(S(N)(=O)=O)cc1N","Cc1c(cc(cc1)S(N)(=O)=O)N",null,"Cc1ccc(S(N)(=O)=O)cc1N","Cc1c(cc(cc1)S(N)(=O)=O)N"]
[3726,"6280-23-5","CCCCCCCCNC(=O)C(C)O","CCCCCCCCNC(=O)C(C)O",null,"CCCCCCCCNC(=O)C(C)O","CCCCCCCCNC(=O)C(C)O",null,"CCCCCCCCN=C(O)C(C)O","CCCCCCCCN=C(O)C(C)O",null,"CCCCCCCCN=C(O)C(C)O","CCCCCCCCN=C(O)C(C)O"]
[3727,"6280-24-6","CCCCCCCCCCNC(=O)C(C)O","CCCCCCCCCCNC(=O)C(C)O",null,"CCCCCCCCCCNC(=O)C(C)O","CCCCCCCCCCNC(=O)C(C)O",null,"CCCCCCCCCCN=C(O)C(C)O","CCCCCCCCCCN=C(O)C(C)O",null,"CCCCCCCCCCN=C(O)C(C)O","CCCCCCCCCCN=C(O)C(C)O"]
[3728,"6283-80-3",{"$nulls":3},"C=CCOC(=O)C(C)OC(=O)C(C)O","C=CCOC(=O)C(C)OC(=O)C(C)O",{"$nulls":4},"C=CCOC(=O)C(C)OC(=O)C(C)O","C=CCOC(=O)C(C)OC(=O)C(C)O"]
[3729,"6284-40-8","CNCC(O)C(O)C(O)C(O)CO","CNCC(O)C(O)C(O)C(O)CO",null,"CNCC(O)C(O)C(O)C(O)CO","CNCC(O)C(O)C(O)C(O)CO",null,"CNCC(O)C(O)C(O)C(O)CO","CNCC(O)C(O)C(O)C(O)CO",null,"CNCC(O)C(O)C(O)C(O)CO","CNCC(O)C(O)C(O)C(O)CO"]
[3730,"6284-75-9","COC(=O)C(C)OC(C)=O","COC(=O)C(C)OC(C)=O",null,"COC(=O)C(C)OC(C)=O","COC(=O)C(C)OC(C)=O",null,"COC(=O)C(C)OC(C)=O","COC(=O)C(C)OC(C)=O",null,"COC(=O)C(C)OC(C)=O","COC(=O)C(C)OC(C)=O"]
[3731,"6288-11-5",{"$nulls":3},"COC(=O)OC(C)C(=O)OC","COC(=O)OC(C)C(=O)OC",{"$nulls":4},"COC(=O)OC(C)C(=O)OC","COC(=O)OC(C)C(=O)OC"]
[3732,"6295-23-4","N#CCCN(CCC#N)CC(=O)O","N#CCCN(CCC#N)CC(=O)O",null,"N#CCCN(CCC#N)CC(=O)O","N#CCCN(CCC#N)CC(=O)O",null,"N#CCCN(CCC#N)CC(=O)O","N#CCCN(CCC#N)CC(=O)O",null,"N#CCCN(CCC#N)CC(=O)O","N#CCCN(CCC#N)CC(=O)O"]
[3733,"6295-30-3","COc1cc2nccnc2c(N)c1OC","COc1c(c(c2c(c1)nccn2)N)OC",null,"COc1cc2nccnc2c(N)c1OC","COc1c(c(c2c(c1)nccn2)N)OC",null,"COc1cc2nccnc2c(N)c1OC","COc1c(c(c2c(c1)nccn2)N)OC",null,"COc1cc2nccnc2c(N)c1OC","COc1c(c(c2c(c1)nccn2)N)OC"]
[3734,"6305-07-3","Cc1ccc(N(C)C(N)=O)cc1","Cc1ccc(cc1)N(C)C(N)=O",null,"Cc1ccc(N(C)C(N)=O)cc1","Cc1ccc(cc1)N(C)C(N)=O",{"$nulls":4},"Cc1ccc(N(C)C(N)=O)cc1","Cc1ccc(cc1)N(C)C(N)=O"]
[3735,"6305-71-1","CC(C)CC(C)CO","CC(C)CC(C)CO",null,"CC(C)CC(C)CO","CC(C)CC(C)CO",null,"CC(C)CC(C)CO","CC(C)CC(C)CO",null,"CC(C)CC(C)CO","CC(C)CC(C)CO"]
[3736,"6306-24-7","NC(=O)c1ccc(S(N)(=O)=O)cc1","NC(=O)c1ccc(cc1)S(N)(=O)=O",null,"NC(=O)c1ccc(S(N)(=O)=O)cc1","NC(=O)c1ccc(cc1)S(N)(=O)=O",null,"NC(=O)c1ccc(S(N)(=O)=O)cc1","NC(=O)c1ccc(cc1)S(N)(=O)=O",null,"NC(=O)c1ccc(S(N)(=O)=O)cc1","NC(=O)c1ccc(cc1)S(N)(=O)=O"]
[3737,"6306-73-6",{"$nulls":3},"Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O","Cc1c([nH]c(n(c1)Cc2ccccc2)=O)=O",{"$nulls":4},"Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O","Cc1c([nH]c(n(c1)Cc2ccccc2)=O)=O"]
[3738,"6307-14-8","Cc1[nH]cnc1S(=O)(=O)O","Cc1c(nc[nH]1)S(=O)(=O)O",null,"Cc1[nH]cnc1S(=O)(=O)O","Cc1c(nc[nH]1)S(=O)(=O)O",null,"Cc1[nH]cnc1S(=O)(=O)O","Cc1c(nc[nH]1)S(=O)(=O)O",null,"Cc1[nH]cnc1S(=O)(=O)O","Cc1c(nc[nH]1)S(=O)(=O)O"]
[3739,"6309-61-1","Cc1ccc2[nH]c(=O)c(=O)[nH]c2c1","Cc1cc2c(cc1)[nH]c(=O)c(=O)[nH]2",null,"Cc1ccc2[nH]c(=O)c(=O)[nH]c2c1","Cc1cc2c(cc1)[nH]c(=O)c(=O)[nH]2",null,"Cc1ccc2[nH]c(=O)c(=O)[nH]c2c1","Cc1cc2c(cc1)[nH]c(=O)c(=O)[nH]2",null,"Cc1ccc2[nH]c(=O)c(=O)[nH]c2c1","Cc1cc2c(cc1)[nH]c(=O)c(=O)[nH]2"]
[3740,"6319-40-0","O=C(O)c1ccc(Br)c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)Br)[N+](=O)[O-]",null,"O=C(O)c1ccc(Br)c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)Br)[N+](=O)[O-]",null,"O=C(O)c1ccc(Br)c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)Br)[N+](=O)[O-]",null,"O=C(O)c1ccc(Br)c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)Br)[N+](=O)[O-]"]
[3741,"6321-72-8","CN1c2ccccc2C(O)(c2ccccc2)c2ccccc21","CN1c2c(C(c3c1cccc3)(O)c4ccccc4)cccc2",null,"CN1c2ccccc2C(O)(c2ccccc2)c2ccccc21","CN1c2c(C(c3c1cccc3)(O)c4ccccc4)cccc2",null,"CN1c2ccccc2C(O)(c2ccccc2)c2ccccc21","CN1c2c(C(c3c1cccc3)(O)c4ccccc4)cccc2",null,"CN1c2ccccc2C(O)(c2ccccc2)c2ccccc21","CN1c2c(C(c3c1cccc3)(O)c4ccccc4)cccc2"]
[3742,"6321-87-5","CC1(C(=O)O)CCCC=C1C(=O)O","CC1(C(=CCCC1)C(=O)O)C(=O)O",null,"CC1(C(=O)O)CCCC=C1C(=O)O","CC1(C(=CCCC1)C(=O)O)C(=O)O",null,"CC1(C(=O)O)CCCC=C1C(=O)O","CC1(C(=CCCC1)C(=O)O)C(=O)O",null,"CC1(C(=O)O)CCCC=C1C(=O)O","CC1(C(=CCCC1)C(=O)O)C(=O)O"]
[3743,"6328-87-6",{"$nulls":3},"CC(C)CC(NCCC#N)C(=O)O","CC(C)CC(NCCC#N)C(=O)O"]
[3744,"6328-90-1","N#CCCN(CCC#N)C(CC(=O)O)C(=O)O","N#CCCN(CCC#N)C(CC(=O)O)C(=O)O",null,"N#CCCN(CCC#N)C(CC(=O)O)C(=O)O","N#CCCN(CCC#N)C(CC(=O)O)C(=O)O",{"$nulls":4},"N#CCCN(CCC#N)C(CC(=O)O)C(=O)O","N#CCCN(CCC#N)C(CC(=O)O)C(=O)O"]
[3745,"6329-16-4","CN(C)C(=O)c1ccccc1C(=O)N(C)C","CN(C)C(=O)c1c(cccc1)C(=O)N(C)C",null,"CN(C)C(=O)c1ccccc1C(=O)N(C)C","CN(C)C(=O)c1c(cccc1)C(=O)N(C)C",{"$nulls":4},"CC1=NC(Cc2ccccc2)C(=O)O1","CC=1OC(C(N1)Cc2ccccc2)=O"]
[3746,"6331-04-0","Cc1ccc(CC(=O)O)c(C)c1","Cc1cc(c(cc1)CC(=O)O)C",null,"Cc1ccc(CC(=O)O)c(C)c1","Cc1cc(c(cc1)CC(=O)O)C",null,"Cc1ccc(CC(=O)O)c(C)c1","Cc1cc(c(cc1)CC(=O)O)C",null,"Cc1ccc(CC(=O)O)c(C)c1","Cc1cc(c(cc1)CC(=O)O)C"]
[3747,"6331-61-9","C=CCc1ccc(OCC(=O)O)c(OC)c1","C=CCc1cc(c(cc1)OCC(=O)O)OC",null,"C=CCc1ccc(OCC(=O)[O-])c(OC)c1","C=CCc1cc(c(cc1)OCC(=O)O)OC",null,"C=CCc1ccc(OCC(=O)O)c(OC)c1","C=CCc1cc(c(cc1)OCC(=O)O)OC",null,"C=CCc1ccc(OCC(=O)O)c(OC)c1","C=CCc1cc(c(cc1)OCC(=O)O)OC"]
[3748,"6379-69-7","CC=CC(=O)OC1CC2OC3C=C(C)C(=O)CC3(C)C1(C)C21CO1","CC=CC(=O)OC1C2(C3(C(OC(C1)C24OC4)C=C(C)C(=O)C3)C)C",null,"CC=CC(=O)OC1CC2OC3C=C(C)C(=O)CC3(C)C1(C)C21CO1","CC=CC(=O)OC1C2(C3(C(OC(C1)C24OC4)C=C(C)C(=O)C3)C)C",null,"CC=CC(=O)OC1CC2OC3C=C(C)C(=O)CC3(C)C1(C)C21CO1","CC=CC(=O)OC1C2(C3(C(OC(C1)C24OC4)C=C(C)C(=O)C3)C)C",null,"CC=CC(=O)OC1CC2OC3C=C(C)C(=O)CC3(C)C1(C)C21CO1","CC=CC(=O)OC1C2(C3(C(OC(C1)C24OC4)C=C(C)C(=O)C3)C)C"]
[3749,"6382-06-5","CCCCCOC(=O)C(C)O","CCCCCOC(=O)C(C)O",null,"CCCCCOC(=O)C(C)O","CCCCCOC(=O)C(C)O",{"$nulls":4},"CCCCCOC(=O)C(C)O","CCCCCOC(=O)C(C)O"]
[3750,"6386-63-6",{"$nulls":3},"O=C(O)COc1ccc(Cl)cc1CO","O=C(O)COc1c(cc(cc1)Cl)CO",null,"O=C(O)COc1ccc(Cl)cc1CO","O=C(O)COc1c(cc(cc1)Cl)CO",null,"O=C(O)COc1ccc(Cl)cc1CO","O=C(O)COc1c(cc(cc1)Cl)CO"]
[3751,"6392-46-7","C=CCN(CC=C)c1c(C)cc(OC(=O)NC)cc1C","C=CCN(CC=C)c1c(cc(cc1C)OC(=O)NC)C",null,"C=CCN(CC=C)c1c(C)cc(OC(=O)NC)cc1C","C=CCN(CC=C)c1c(cc(cc1C)OC(=O)NC)C",{"$nulls":4},"C=CCN(CC=C)c1c(C)cc(OC(=O)NC)cc1C","C=CCN(CC=C)c1c(cc(cc1C)OC(=O)NC)C"]
[3752,"6409-48-9",{"$nulls":9},"Nc1cc(S(=O)(=O)O)c(N)c(S(=O)(=O)O)c1","Nc1cc(c(c(c1)S(=O)(=O)O)N)S(=O)(=O)O"]
[3753,"6419-19-8","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O",null,"O=P([O-])([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O","[K+](5)","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O",null,"O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O"]
[3754,"6452-49-9","Clc1cccc(Nc2ccccc2)c1","Clc1cc(ccc1)Nc2ccccc2",null,"Clc1cccc(Oc2ccccc2)c1","Clc1cc(ccc1)Oc2ccccc2",null,"Clc1cccc(Oc2ccccc2)c1","Clc1cc(ccc1)Oc2ccccc2",null,"Clc1cccc(Oc2ccccc2)c1","Clc1cc(ccc1)Oc2ccccc2"]
[3755,"6465-14-1"]
[3756,"6477-73-2"]
[3757,"6477-90-3"]
[3758,"6485-40-1","C=C(C)C1CC=C(C)C(=O)C1","C=C(C)C1CC(C(=CC1)C)=O",null,"C=C(C)C1CC=C(C)C(=O)C1","C=C(C)C1CC(C(=CC1)C)=O",null,"C=C(C)C1CC=C(C)C(=O)C1","C=C(C)C1CC(C(=CC1)C)=O",null,"C=C(C)C1CC=C(C)C(=O)C1","C=C(C)C1CC(C(=CC1)C)=O"]
[3759,"6490-98-8","O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O","O=C(Nc1ccc(cc1)Cl)c2c(ccc(c2)[N+](=O)[O-])O",null,"O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O","O=C(Nc1ccc(cc1)Cl)c2c(ccc(c2)[N+](=O)[O-])O",null,"O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O","O=C(Nc1ccc(cc1)Cl)c2c(ccc(c2)[N+](=O)[O-])O",null,"O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O","O=C(Nc1ccc(cc1)Cl)c2c(ccc(c2)[N+](=O)[O-])O"]
[3760,"6490-99-9","O=C(Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1O","O=C(Nc1ccc(cc1)Cl)c2c(c(ccc2)[N+](=O)[O-])O",null,"O=C(Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1O","O=C(Nc1ccc(cc1)Cl)c2c(c(ccc2)[N+](=O)[O-])O",null,"O=C(Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1O","O=C(Nc1ccc(cc1)Cl)c2c(c(ccc2)[N+](=O)[O-])O",null,"O=C(Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1O","O=C(Nc1ccc(cc1)Cl)c2c(c(ccc2)[N+](=O)[O-])O"]
[3761,"6491-36-7","CC(NC(=O)C(Br)C(C)C)C(=O)O","CC(NC(=O)C(Br)C(C)C)C(=O)O",{"$nulls":4},"CC(N=C(O)C(Br)C(C)C)C(=O)O","CC(N=C(O)C(Br)C(C)C)C(=O)O",null,"CC(N=C(O)C(Br)C(C)C)C(=O)O","CC(N=C(O)C(Br)C(C)C)C(=O)O"]
[3762,"6493-05-6","CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O","CC(=O)CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",null,"CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O","CC(=O)CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",null,"CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O","CC(=O)CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",null,"CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O","CC(=O)CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O"]
[3763,"6521-29-5","CCCCCOC(=O)c1ccc(O)cc1","CCCCCOC(=O)c1ccc(cc1)O",null,"CCCCCOC(=O)c1ccc(O)cc1","CCCCCOC(=O)c1ccc(cc1)O",null,"CCCCCOC(=O)c1ccc(O)cc1","CCCCCOC(=O)c1ccc(cc1)O",null,"CCCCCOC(=O)c1ccc(O)cc1","CCCCCOC(=O)c1ccc(cc1)O"]
[3764,"6533-00-2","C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21CC","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)CC)O",null,"C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21CC","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)CC)O",{"$nulls":4},"C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21CC","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)CC)O"]
[3765,"6543-34-6","O=CCc1ccc2c(c1)OCO2","O=CCc1cc2c(cc1)OCO2",null,"O=CCc1ccc2c(c1)OCO2","O=CCc1cc2c(cc1)OCO2",null,"O=CCc1ccc2c(c1)OCO2","O=CCc1cc2c(cc1)OCO2",null,"O=CCc1ccc2c(c1)OCO2","O=CCc1cc2c(cc1)OCO2"]
[3766,"6566-40-1",{"$nulls":3},"O=C1CC(C(=O)O)Cc2ccccc21","O=C1c2c(CC(C1)C(=O)O)cccc2"]
[3767,"6600-40-4","CCCC(N)C(=O)O","CCCC(N)C(=O)O",null,"CCCC(N)C(=O)O","CCCC(N)C(=O)O",null,"CCCC(N)C(=O)O","CCCC(N)C(=O)O"]
[3768,"6616-80-4",{"$nulls":3},"CCNc1nc(Cl)nc(NCC(=O)OCC)n1","CCNc1nc(nc(n1)Cl)NCC(=O)OCC",{"$nulls":4},"CCNc1nc(Cl)nc(NCC(=O)OCC)n1","CCNc1nc(nc(n1)Cl)NCC(=O)OCC"]
[3769,"6620-95-7","NC(CO)C(=O)NC(CO)C(=O)O","NC(CO)C(=O)NC(CO)C(=O)O",null,"NC(CO)C(=O)NC(CO)C(=O)O","NC(CO)C(=O)NC(CO)C(=O)O"]
[3770,"6622-23-7",{"$nulls":3},"CC(C)Oc1ccc(COc2ccc(CC(=O)O)cc2Cl)cc1","CC(C)Oc1ccc(cc1)COc2c(cc(cc2)CC(=O)O)Cl",{"$nulls":4},"CC(C)Oc1ccc(COc2ccc(CC(=O)O)cc2Cl)cc1","CC(C)Oc1ccc(cc1)COc2c(cc(cc2)CC(=O)O)Cl"]
[3771,"6635-29-6","ON=C1CCCC1=NO","ON=C1C(CCC1)=NO",null,"O=NC1=C(NO)CCC1","O=NC=1CCCC1NO"]
[3772,"6668-12-8","CCS(=O)(=O)C(C)Br","CCS(=O)(=O)C(C)Br",null,"COc1ccc(C)cc1NC(=S)NN=Cc1cccc([N+](=O)[O-])c1","COc1c(cc(cc1)C)NC(=S)NN=Cc2cc(ccc2)[N+](=O)[O-]",{"$nulls":4},"COc1ccc(C)cc1NC(=S)NN=Cc1cccc([N+](=O)[O-])c1","COc1c(cc(cc1)C)NC(=S)NN=Cc2cc(ccc2)[N+](=O)[O-]"]
[3773,"6724-71-6","CC1CCC(=O)N1c1ccccc1","CC1N(C(CC1)=O)c2ccccc2",null,"CC1CCC(=O)N1c1ccccc1","CC1N(C(CC1)=O)c2ccccc2",null,"CC1CCC(=O)N1c1ccccc1","CC1N(C(CC1)=O)c2ccccc2",null,"CC1CCC(=O)N1c1ccccc1","CC1N(C(CC1)=O)c2ccccc2"]
[3774,"6731-36-8",{"$nulls":3},"CC1CC(C)(C)CC(OOC(C)(C)C)(OOC(C)(C)C)C1","CC1CC(CC(C1)(C)C)(OOC(C)(C)C)OOC(C)(C)C",null,"CC1CC(C)(C)CC(OOC(C)(C)C)(OOC(C)(C)C)C1","CC1CC(CC(C1)(C)C)(OOC(C)(C)C)OOC(C)(C)C",null,"CC1CC(C)(C)CC(OOC(C)(C)C)(OOC(C)(C)C)C1","CC1CC(CC(C1)(C)C)(OOC(C)(C)C)OOC(C)(C)C"]
[3775,"6744-85-0",{"$nulls":3},"COC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]","COC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",{"$nulls":4},"COC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]","COC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]"]
[3776,"6744-86-1","CC(C)OC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-]","CC(C)OC(=O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O",{"$nulls":4},"CCCOC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]","CCCOC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",null,"CCCOC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]","CCCOC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]"]
[3777,"6744-87-2","CC(C)OC(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-]","CC(C)OC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",{"$nulls":4},"CC(C)OC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]","CC(C)OC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",null,"CC(C)OC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]","CC(C)OC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]"]
[3778,"6744-88-3","CC(C)(C)OC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-]","CC(C)(C)OC(=O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O",{"$nulls":4},"CC(C)COC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]","CC(C)COC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",null,"CC(C)COC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]","CC(C)COC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]"]
[3779,"6744-92-9","CC(C)CCOC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-]","CC(C)CCOC(=O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O"]
[3780,"6781-97-1","Cc1cc(C)c([PH](=O)O)c(C)c1","Cc1cc(c(c(c1)C)P(=O)O)C",{"$nulls":4},"Cc1cc(C)c([PH](=O)O)c(C)c1","Cc1cc(c(c(c1)C)P(=O)O)C",null,"Cc1cc(C)c([PH](=O)O)c(C)c1","Cc1cc(c(c(c1)C)P(=O)O)C"]
[3781,"6795-87-5","CCC(C)OC","CCC(C)OC",null,"CCC(C)OC","CCC(C)OC"]
[3782,"6806-76-4","C=CCOC(CO)CO","C=CCOC(CO)CO"]
[3783,"6810-09-9","CN(C(=N)N[N+](=O)[O-])[N+](=O)[O-]","CN(C(=N)N[N+](=O)[O-])[N+](=O)[O-]",null,"CN(C(N)=N[N+](=O)[O-])[N+](=O)[O-]","CN(C(N)=N[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},"CN(C(N)=N[N+](=O)[O-])[N+](=O)[O-]","CN(C(N)=N[N+](=O)[O-])[N+](=O)[O-]"]
[3784,"6814-99-9","CCC(C)NC(N)=S","CCC(C)NC(N)=S",null,"CCC(C)NC(N)=S","CCC(C)NC(N)=S",{"$nulls":4},"CCC(C)NC(N)=S","CCC(C)NC(N)=S"]
[3785,"6828-46-2"]
[3786,"6828-47-3","CCC(C)OC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-]","CCC(C)OC(=O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O",{"$nulls":4},"CCCCOC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]","CCCCOC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",null,"CCCCOC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]","CCCCOC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]"]
[3787,"6842-62-2",{"$nulls":3},"Clc1ccc(Oc2cccc(Cl)c2)cc1","Clc1ccc(cc1)Oc2cc(ccc2)Cl",null,"Clc1ccc(Oc2cccc(Cl)c2)cc1","Clc1ccc(cc1)Oc2cc(ccc2)Cl"]
[3788,"6876-23-9","CC1CCCCC1C","CC1C(CCCC1)C",null,"CC1CCCCC1C","CC1C(CCCC1)C",null,"CC1CCCCC1C","CC1C(CCCC1)C",null,"CC1CCCCC1C","CC1C(CCCC1)C"]
[3789,"6893-02-3","NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)Oc2cc(c(cc2)O)I)I)C(=O)O",null,"NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)Oc2cc(c(cc2)O)I)I)C(=O)O",null,"NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)Oc2cc(c(cc2)O)I)I)C(=O)O",null,"NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)Oc2cc(c(cc2)O)I)I)C(=O)O"]
[3790,"6893-26-1","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",null,"NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",null,"NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",null,"NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O"]
[3791,"6898-95-9","NC(CO)C(=O)O","NC(CO)C(=O)O",null,"NC(CO)C(=O)O","NC(CO)C(=O)O",null,"NC(CO)C(=O)O","NC(CO)C(=O)O"]
[3792,"6899-05-4","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",null,"NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",{"$nulls":4},"NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O"]
[3793,"6903-65-7","Clc1ccc(Oc2ccccc2Cl)cc1","Clc1ccc(cc1)Oc2c(cccc2)Cl",null,"Clc1ccc(Oc2ccccc2Cl)cc1","Clc1ccc(cc1)Oc2c(cccc2)Cl",null,"Clc1ccc(Oc2ccccc2Cl)cc1","Clc1ccc(cc1)Oc2c(cccc2)Cl",null,"Clc1ccc(Oc2ccccc2Cl)cc1","Clc1ccc(cc1)Oc2c(cccc2)Cl"]
[3794,"6907-68-2","CC(=O)NC(NC(C)=O)c1ccccc1","CC(=O)NC(NC(C)=O)c1ccccc1",null,"CC(=O)NC(NC(C)=O)c1ccccc1","CC(=O)NC(NC(C)=O)c1ccccc1",null,"CC(=O)NC(NC(C)=O)c1ccccc1","CC(=O)NC(NC(C)=O)c1ccccc1",null,"CC(=O)NC(NC(C)=O)c1ccccc1","CC(=O)NC(NC(C)=O)c1ccccc1"]
[3795,"6912-98-7"]
[3796,"6915-15-7","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O",null,"O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O",null,"O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O",null,"O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O"]
[3797,"6923-22-4","CNC(=O)C=C(C)OP(=O)(OC)OC","CNC(=O)C=C(C)OP(=O)(OC)OC",null,"CNC(=O)C=C(C)OP(=O)(OC)OC","CNC(=O)C=C(C)OP(=O)(OC)OC",null,"CNC(=O)C=C(C)OP(=O)(OC)OC","CNC(=O)C=C(C)OP(=O)(OC)OC",null,"CNC(=O)C=C(C)OP(=O)(OC)OC","CNC(=O)C=C(C)OP(=O)(OC)OC"]
[3798,"6936-40-9","COc1c(Cl)c(Cl)cc(Cl)c1Cl","COc1c(c(cc(c1Cl)Cl)Cl)Cl",null,"COc1c(Cl)c(Cl)cc(Cl)c1Cl","COc1c(c(cc(c1Cl)Cl)Cl)Cl"]
[3799,"6936-69-2","NC(=O)NN=CC(O)C(O)C(O)C(O)CO","NC(=O)NN=CC(O)C(O)C(O)C(O)CO",null,"NC(=O)NN=CC(O)C(O)C(O)C(O)CO","NC(=O)NN=CC(O)C(O)C(O)C(O)CO",null,"N=C(O)NN=CC(O)C(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)C(O)CO",null,"N=C(O)NN=CC(O)C(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)C(O)CO"]
[3800,"6938-06-3",null,null,"CCCCOC(=O)c1cccnc1(1)",null,null,"CCCCOC(=O)c1cccnc1(1)",{"$nulls":5},"CCCCOC(=O)c1cccnc1(1)"]
[3801,"6944-30-5","CC(SC(C)C(N)=O)C(N)=O","CC(SC(C)C(N)=O)C(N)=O",null,"CC(SC(C)C(N)=O)C(N)=O","CC(SC(C)C(N)=O)C(N)=O",null,"CC(SC(C)C(N)=O)C(N)=O","CC(SC(C)C(N)=O)C(N)=O",null,"CC(SC(C)C(N)=O)C(N)=O","CC(SC(C)C(N)=O)C(N)=O"]
[3802,"6946-99-2","O=C(O)c1ccccc1","O=C(O)c1ccccc1","OCCCO(1)","O=C(OCCCO)c1ccccc1","O=C(OCCCO)c1ccccc1",null,"O=C(OCCCO)c1ccccc1","O=C(OCCCO)c1ccccc1",null,"O=C(OCCCO)c1ccccc1","O=C(OCCCO)c1ccccc1"]
[3803,"6947-02-0","CC(=O)CC(=O)OC1CCCCC1","CC(=O)CC(=O)OC1CCCCC1",null,"CC(=O)CC(=O)OC1CCCCC1","CC(=O)CC(=O)OC1CCCCC1",null,"CC(=O)CC(=O)OC1CCCCC1","CC(=O)CC(=O)OC1CCCCC1"]
[3804,"6966-78-5","CSc1ncnc2nccnc12","CSc1c2c(ncn1)nccn2",null,"CSc1ncnc2nccnc12","CSc1c2c(ncn1)nccn2",null,"CSc1ncnc2nccnc12","CSc1c2c(ncn1)nccn2",null,"CSc1ncnc2nccnc12","CSc1c2c(ncn1)nccn2"]
[3805,"6988-21-2","CNC(=O)Oc1ccccc1C1OCCO1","CNC(=O)Oc1c(cccc1)C2OCCO2",null,"CNC(=O)Oc1ccccc1C1OCCO1","CNC(=O)Oc1c(cccc1)C2OCCO2",null,"CNC(=O)Oc1ccccc1C1OCCO1","CNC(=O)Oc1c(cccc1)C2OCCO2",null,"CNC(=O)Oc1ccccc1C1OCCO1","CNC(=O)Oc1c(cccc1)C2OCCO2"]
[3806,"7004-09-3","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",null,"CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",null,"CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",null,"CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O"]
[3807,"7005-47-2","CN(C)C(C)(C)CO","CN(C)C(C)(C)CO",null,"CN(C)C(C)(C)CO","CN(C)C(C)(C)CO","[Cl-](1), [H+](1)","CN(C)C(C)(C)CO","CN(C)C(C)(C)CO",null,"CN(C)C(C)(C)CO","CN(C)C(C)(C)CO"]
[3808,"7005-72-3","Clc1ccc(Oc2ccccc2)cc1","Clc1ccc(cc1)Oc2ccccc2",null,"Clc1ccc(Oc2ccccc2)cc1","Clc1ccc(cc1)Oc2ccccc2",null,"Clc1ccc(Oc2ccccc2)cc1","Clc1ccc(cc1)Oc2ccccc2",null,"Clc1ccc(Oc2ccccc2)cc1","Clc1ccc(cc1)Oc2ccccc2"]
[3809,"7006-34-0","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O",null,"NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O",null,"NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O",null,"NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O"]
[3810,"7012-37-5","Clc1ccc(-c2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(cc2)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(cc2)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(cc2)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(cc2)Cl)Cl"]
[3811,"7029-96-1"]
[3812,"7068-83-9","CCCCNCN=O","CCCCNCN=O",null,"CCCCN(C)N=O","CCCCN(C)N=O",null,"CCCCN(C)N=O","CCCCN(C)N=O",null,"CCCCN(C)N=O","CCCCN(C)N=O"]
[3813,"7073-94-1","CC(C)c1ccccc1Br","CC(C)c1c(cccc1)Br",null,"CC(C)c1ccccc1Br","CC(C)c1c(cccc1)Br",null,"CC(C)c1ccccc1Br","CC(C)c1c(cccc1)Br",null,"CC(C)c1ccccc1Br","CC(C)c1c(cccc1)Br"]
[3814,"7085-19-0","Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",null,"Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",{"$nulls":4},"Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O"]
[3815,"7100-92-7","CCCCP(=O)(CCCC)OCC","CCCCP(=O)(CCCC)OCC",{"$nulls":7},"CCCCP(=O)(CCCC)OCC","CCCCP(=O)(CCCC)OCC"]
[3816,"7146-68-1","Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)Cl",null,"Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)Cl",null,"Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)Cl",null,"Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)Cl"]
[3817,"7147-89-9","Cc1cc(O)c([N+](=O)[O-])cc1Cl","Cc1c(cc(c(c1)O)[N+](=O)[O-])Cl",null,"Cc1cc(O)c([N+](=O)[O-])cc1Cl","Cc1c(cc(c(c1)O)[N+](=O)[O-])Cl",null,"Cc1cc(O)c([N+](=O)[O-])cc1Cl","Cc1c(cc(c(c1)O)[N+](=O)[O-])Cl",null,"Cc1cc(O)c([N+](=O)[O-])cc1Cl","Cc1c(cc(c(c1)O)[N+](=O)[O-])Cl"]
[3818,"7159-34-4",{"$nulls":3},"COc1cc(C(Cl)(Cl)Cl)cc(Cl)n1","COc1nc(cc(c1)C(Cl)(Cl)Cl)Cl",{"$nulls":4},"COc1cc(C(Cl)(Cl)Cl)cc(Cl)n1","COc1nc(cc(c1)C(Cl)(Cl)Cl)Cl"]
[3819,"7174-45-0","CCOc1ccc(N(C(C)=O)C(C)=O)cc1","CCOc1ccc(cc1)N(C(C)=O)C(C)=O",{"$nulls":4},"CCOc1ccc(N(C(C)=O)C(C)=O)cc1","CCOc1ccc(cc1)N(C(C)=O)C(C)=O",null,"CCOc1ccc(N(C(C)=O)C(C)=O)cc1","CCOc1ccc(cc1)N(C(C)=O)C(C)=O"]
[3820,"7242-58-2","CCCCOP(=O)(OCC)OCCCC","CCCCOP(=O)(OCC)OCCCC",null,"[W+3]","[W+3]","[W+4](1), [W+5](1), [OH2-](3)",{"$nulls":3},"[W]","[W]","O(5)"]
[3821,"7242-59-3","CCCCOP(=O)(OC)OCCCC","CCCCOP(=O)(OC)OCCCC",null,"CCCCOP(=O)(OC)OCCCC","CCCCOP(=O)(OC)OCCCC",null,"CCCCOP(=O)(OC)OCCCC","CCCCOP(=O)(OC)OCCCC",null,"CCCCOP(=O)(OC)OCCCC","CCCCOP(=O)(OC)OCCCC"]
[3822,"7250-53-5","O=C(O)c1cccc2ncccc12","O=C(O)c1c2c(ccc1)nccc2",null,"O=C(O)c1cccc2ncccc12","O=C(O)c1c2c(ccc1)nccc2",null,"O=C(O)c1cccc2ncccc12","O=C(O)c1c2c(ccc1)nccc2",null,"O=C(O)c1cccc2ncccc12","O=C(O)c1c2c(ccc1)nccc2"]
[3823,"7251-85-6","OC(CCl)C(O)C(O)C(O)CCl","OC(CCl)C(O)C(O)C(O)CCl",null,"OC(CCl)C(O)C(O)C(O)CCl","OC(CCl)C(O)C(O)C(O)CCl"]
[3824,"7286-84-2","COC(=O)c1cc(Cl)cc(N)c1Cl","COC(=O)c1c(c(cc(c1)Cl)N)Cl",null,"COC(=O)c1cc(Cl)cc(N)c1Cl","COC(=O)c1c(c(cc(c1)Cl)N)Cl",null,"COC(=O)c1cc(Cl)cc(N)c1Cl","COC(=O)c1c(c(cc(c1)Cl)N)Cl",null,"COC(=O)c1cc(Cl)cc(N)c1Cl","COC(=O)c1c(c(cc(c1)Cl)N)Cl"]
[3825,"7287-19-6","CSc1nc(NC(C)C)nc(NC(C)C)n1","CSc1nc(nc(n1)NC(C)C)NC(C)C",null,"CSc1nc(NC(C)C)nc(NC(C)C)n1","CSc1nc(nc(n1)NC(C)C)NC(C)C",null,"CSc1nc(NC(C)C)nc(NC(C)C)n1","CSc1nc(nc(n1)NC(C)C)NC(C)C",null,"CSc1nc(NC(C)C)nc(NC(C)C)n1","CSc1nc(nc(n1)NC(C)C)NC(C)C"]
[3826,"7287-36-7",{"$nulls":3},"CCCC(C)(C)C(=O)Nc1ccc(Cl)cc1","CCCC(C)(C)C(=O)Nc1ccc(cc1)Cl",{"$nulls":4},"CCCC(C)(C)C(=O)Nc1ccc(Cl)cc1","CCCC(C)(C)C(=O)Nc1ccc(cc1)Cl"]
[3827,"7288-32-6"]
[3828,"7292-16-2","CCCOP(=O)(OCCC)Oc1ccc(SC)cc1","CCCOP(=O)(OCCC)Oc1ccc(cc1)SC",null,"CCCOP(=O)(OCCC)Oc1ccc(SC)cc1","CCCOP(=O)(OCCC)Oc1ccc(cc1)SC",null,"CCCOP(=O)(OCCC)Oc1ccc(SC)cc1","CCCOP(=O)(OCCC)Oc1ccc(cc1)SC",null,"CCCOP(=O)(OCCC)Oc1ccc(SC)cc1","CCCOP(=O)(OCCC)Oc1ccc(cc1)SC"]
[3829,"7294-05-5","CCC(C)(O)C(C)(C)C","CCC(C)(O)C(C)(C)C",null,"CCC(C)(O)C(C)(C)C","CCC(C)(O)C(C)(C)C",null,"CCC(C)(O)C(C)(C)C","CCC(C)(O)C(C)(C)C",null,"CCC(C)(O)C(C)(C)C","CCC(C)(O)C(C)(C)C"]
[3830,"7334-51-2","CN(C)C(=O)CCC(=O)N(C)C","CN(C)C(=O)CCC(=O)N(C)C",null,"CN(C)C(=O)CCC(=O)N(C)C","CN(C)C(=O)CCC(=O)N(C)C",{"$nulls":4},"CN(C)C(=O)CCC(=O)N(C)C","CN(C)C(=O)CCC(=O)N(C)C"]
[3831,"7345-19-9","CC(=CC(=O)O)SC(C)=CC(=O)O","CC(=CC(=O)O)SC(C)=CC(=O)O"]
[3832,"7352-07-0","O=C(NC(C(=O)O)c1ccccc1)c1ccccc1","O=C(NC(C(=O)O)c1ccccc1)c2ccccc2"]
[3833,"7370-58-3","O=C(O)CC[Se][Se]CCC(=O)O","O=C(O)CC[Se][Se]CCC(=O)O",null,"O=C(O)CC[Se][Se]CCC(=O)O","O=C(O)CC[Se][Se]CCC(=O)O",null,"O=C(O)CC[Se][Se]CCC(=O)O","O=C(O)CC[Se][Se]CCC(=O)O",null,"O=C(O)CC[Se][Se]CCC(=O)O","O=C(O)CC[Se][Se]CCC(=O)O"]
[3834,"7374-53-0","CC(C)Nc1nc(O)nc(NC(C)C)n1","CC(C)Nc1nc(nc(n1)O)NC(C)C",null,"CC(C)Nc1nc(=O)nc(NC(C)C)[nH]1","CC(C)Nc1[nH]c(nc(n1)=O)NC(C)C",{"$nulls":4},"CC(C)Nc1nc(=O)nc(NC(C)C)[nH]1","CC(C)Nc1[nH]c(nc(n1)=O)NC(C)C"]
[3835,"7383-56-4","O=C1CN(CO)C(=O)CN1CO","O=C1N(CC(N(C1)CO)=O)CO",null,"O=C1CN(CO)C(=O)CN1CO","O=C1N(CC(N(C1)CO)=O)CO",null,"O=C1CN(CO)C(=O)CN1CO","O=C1N(CC(N(C1)CO)=O)CO",null,"O=C1CN(CO)C(=O)CN1CO","O=C1N(CC(N(C1)CO)=O)CO"]
[3836,"7391-69-7",{"$nulls":3},"CC(C)C1C(=O)NC(=O)NC1=O","CC(C)C1C(NC(NC1=O)=O)=O",null,"CC(C)C1C(O)=NC(=O)N=C1O","CC(C)C1C(=NC(N=C1O)=O)O",null,"CC(C)C1C(O)=NC(=O)N=C1O","CC(C)C1C(=NC(N=C1O)=O)O"]
[3837,"7402-93-9","O=P(O)(O)c1cccc2ccccc12","O=P(O)(O)c1c2c(ccc1)cccc2",null,"O=P(O)(O)c1cccc2ccccc12","O=P(O)(O)c1c2c(ccc1)cccc2"]
[3838,"7405-23-4","Oc1cccc2scnc12","Oc1c2c(ccc1)scn2",null,"Oc1cccc2scnc12","Oc1c2c(ccc1)scn2",null,"Oc1cccc2scnc12","Oc1c2c(ccc1)scn2",null,"Oc1cccc2scnc12","Oc1c2c(ccc1)scn2"]
[3839,"7412-25-1","O=P(Oc1ccccc1)(Oc1ccccc1)N1CCOCC1","O=P(Oc1ccccc1)(Oc2ccccc2)N3CCOCC3",null,"O=P(Oc1ccccc1)(Oc1ccccc1)N1CCOCC1","O=P(Oc1ccccc1)(Oc2ccccc2)N3CCOCC3",{"$nulls":4},"O=P(Oc1ccccc1)(Oc1ccccc1)N1CCOCC1","O=P(Oc1ccccc1)(Oc2ccccc2)N3CCOCC3"]
[3840,"7417-67-6","CC(=O)N(C)N=O","CC(=O)N(C)N=O",null,"CC(=O)N(C)N=O","CC(=O)N(C)N=O",null,"CC(=O)N(C)N=O","CC(=O)N(C)N=O",null,"CC(=O)N(C)N=O","CC(=O)N(C)N=O"]
[3841,"7421-93-4","O=CC1CC2C3C1C1(Cl)C(Cl)(Cl)C3(Cl)C3(Cl)C2C13Cl","O=CC1C2C3C(C1)C4C5(C3(C(C2(C54Cl)Cl)(Cl)Cl)Cl)Cl",null,"O=CC1CC2C3C1C1(Cl)C(Cl)(Cl)C3(Cl)C3(Cl)C2C13Cl","O=CC1C2C3C(C1)C4C5(C3(C(C2(C54Cl)Cl)(Cl)Cl)Cl)Cl",null,"O=CC1CC2C3C1C1(Cl)C(Cl)(Cl)C3(Cl)C3(Cl)C2C13Cl","O=CC1C2C3C(C1)C4C5(C3(C(C2(C54Cl)Cl)(Cl)Cl)Cl)Cl",null,"O=CC1CC2C3C1C1(Cl)C(Cl)(Cl)C3(Cl)C3(Cl)C2C13Cl","O=CC1C2C3C(C1)C4C5(C3(C(C2(C54Cl)Cl)(Cl)Cl)Cl)Cl"]
[3842,"7446-09-5","O=S=O","O=S=O",null,"O=S=O","O=S=O",null,"O=S=O","O=S=O",null,"O=S=O","O=S=O"]
[3843,"7449-27-6","CCNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","CCNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"CCNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","CCNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"CCNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","CCNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"CCNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","CCNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"]
[3844,"7463-31-2","CC(=O)Nc1cccc(C(C)=O)c1","CC(=O)Nc1cc(ccc1)C(C)=O",null,"CC(=O)Nc1cccc(C(C)=O)c1","CC(=O)Nc1cc(ccc1)C(C)=O",{"$nulls":4},"CC(=O)Nc1cccc(C(C)=O)c1","CC(=O)Nc1cc(ccc1)C(C)=O"]
[3845,"7471-03-6","Nc1nc2c(O)cccc2s1","Nc1sc2c(n1)c(O)ccc2",null,"Nc1nc2c(O)cccc2s1","Nc1sc2c(n1)c(O)ccc2",null,"Nc1nc2c(O)cccc2s1","Nc1sc2c(n1)c(O)ccc2",null,"Nc1nc2c(O)cccc2s1","Nc1sc2c(n1)c(O)ccc2"]
[3846,"7473-09-8",{"$nulls":3},"CC1(C(=O)O)CCOC1=O","CC1(C(OCC1)=O)C(=O)O",{"$nulls":4},"CC1(C(=O)O)CCOC1=O","CC1(C(OCC1)=O)C(=O)O"]
[3847,"7475-29-8",{"$nulls":3},"O=C(O)c1ccc2c(c1C(=O)O)C(=O)c1ccccc1C2=O","O=C(O)c1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)C(=O)O"]
[3848,"7481-89-2","Nc1ccn(C2CCC(CO)O2)c(=O)n1","Nc1nc(n(cc1)C2OC(CC2)CO)=O",null,"Nc1ccn(C2CCC(CO)O2)c(=O)n1","Nc1nc(n(cc1)C2OC(CC2)CO)=O",null,"Nc1ccn(C2CCC(CO)O2)c(=O)n1","Nc1nc(n(cc1)C2OC(CC2)CO)=O",null,"Nc1ccn(C2CCC(CO)O2)c(=O)n1","Nc1nc(n(cc1)C2OC(CC2)CO)=O"]
[3849,"7496-10-8","Cc1c2cc(F)ccc2cc2c1ccc1ccccc12","Cc1c2c(cc3c1cc(F)cc3)c4c(cc2)cccc4",null,"Cc1c2cc(Cl)ccc2cc2c1ccc1ccccc12","Cc1c2c(cc3c1cc(Cl)cc3)c4c(cc2)cccc4",null,"Cc1c2cc(F)ccc2cc2c1ccc1ccccc12","Cc1c2c(cc3c1cc(F)cc3)c4c(cc2)cccc4",null,"Cc1c2cc(Cl)ccc2cc2c1ccc1ccccc12","Cc1c2c(cc3c1cc(Cl)cc3)c4c(cc2)cccc4"]
[3850,"7504-90-7","COC1(C)COC(C)(OC)CO1","COC1(OCC(OC1)(C)OC)C",null,"COC1(C)COC(C)(OC)CO1","COC1(OCC(OC1)(C)OC)C",null,"COC1(C)COC(C)(OC)CO1","COC1(OCC(OC1)(C)OC)C",null,"COC1(C)COC(C)(OC)CO1","COC1(OCC(OC1)(C)OC)C"]
[3851,"7510-46-5","CC=Cc1ccc(OCC(=O)O)c(OC)c1","CC=Cc1cc(c(cc1)OCC(=O)O)OC",null,"CC=Cc1ccc(OCC(=O)[O-])c(OC)c1","CC=Cc1cc(c(cc1)OCC(=O)O)OC",null,"CC=Cc1ccc(OCC(=O)O)c(OC)c1","CC=Cc1cc(c(cc1)OCC(=O)O)OC",null,"CC=Cc1ccc(OCC(=O)O)c(OC)c1","CC=Cc1cc(c(cc1)OCC(=O)O)OC"]
[3852,"7517-39-7"]
[3853,"7518-64-1","O=C1CCCCCCCCCCCCN1","O=C1NCCCCCCCCCCCC1",{"$nulls":4},"OC1=NCCCCCCCCCCCC1","OC=1CCCCCCCCCCCCN1",null,"OC1=NCCCCCCCCCCCC1","OC=1CCCCCCCCCCCCN1"]
[3854,"7520-67-4","OCc1cc(Cl)c(Cl)c(Cl)c1","OCc1cc(c(c(c1)Cl)Cl)Cl",{"$nulls":4},"OCc1cc(Cl)c(Cl)c(Cl)c1","OCc1cc(c(c(c1)Cl)Cl)Cl",null,"OCc1cc(Cl)c(Cl)c(Cl)c1","OCc1cc(c(c(c1)Cl)Cl)Cl"]
[3855,"7525-08-8",{"$nulls":9},"O=c1c(=NNc2ccccc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(=NNc3ccccc3)c(=O)c1=2","O=c1c2=c(cc(c1=NNc3ccccc3)S(=O)(=O)O)cc(S(=O)(=O)O)c(=NNc4ccccc4)c2=O"]
[3856,"7553-56-2","[I]","I",null,"II","II",null,"II","II",null,"II","II"]
[3857,"7557-02-0","Oc1cccc2cncnc12","Oc1c2c(ccc1)cncn2",{"$nulls":4},"Oc1cccc2cncnc12","Oc1c2c(ccc1)cncn2",null,"Oc1cccc2cncnc12","Oc1c2c(ccc1)cncn2"]
[3858,"7558-80-7",{"$nulls":6},"O=P([O-])(O)O","O=P(O)(O)O","[Na+](1)","O=P([O-])(O)O","O=P(O)(O)O","[Na+](1)"]
[3859,"7559-55-9","CCCCSS(=O)CCCC","CCCCSS(=O)CCCC",{"$nulls":7},"CCCCSS(=O)CCCC","CCCCSS(=O)CCCC"]
[3860,"7568-93-6","NCC(O)c1ccccc1","NCC(O)c1ccccc1",null,"NCC(O)c1ccccc1","NCC(O)c1ccccc1",null,"OCCNc1ccccc1","OCCNc1ccccc1",null,"NCC(O)c1ccccc1","NCC(O)c1ccccc1"]
[3861,"7581-97-7","CC(Cl)C(C)Cl","CC(Cl)C(C)Cl",null,"CC(Cl)C(C)Cl","CC(Cl)C(C)Cl",null,"CC(Cl)C(C)Cl","CC(Cl)C(C)Cl",null,"CC(Cl)C(C)Cl","CC(Cl)C(C)Cl"]
[3862,"7630-14-0","O=C(c1ccco1)N(O)c1ccccc1","O=C(c1occc1)N(O)c2ccccc2",{"$nulls":4},"O=C(c1ccco1)N(O)c1ccccc1","O=C(c1occc1)N(O)c2ccccc2",null,"O=C(c1ccco1)N(O)c1ccccc1","O=C(c1occc1)N(O)c2ccccc2"]
[3863,"7664-39-3","F","F",null,"[F-]","F","[H+](1)","F","F",null,"F","F"]
[3864,"7664-93-9","O=S(=O)(O)O","O=S(=O)(O)O",null,"O=S(=O)(O)O","O=S(=O)(O)O",null,"O=S(=O)(O)O","O=S(=O)(O)O",null,"O=S(=O)(O)O","O=S(=O)(O)O"]
[3865,"7668-23-7"]
[3866,"7668-28-2","NC1=NS(=O)(=O)c2ccccc21","NC=1c2c(S(N1)(=O)=O)cccc2",null,"NC1=NS(=O)(=O)c2ccccc21","NC=1c2c(S(N1)(=O)=O)cccc2",null,"NC1=NS(=O)(=O)c2ccccc21","NC=1c2c(S(N1)(=O)=O)cccc2",null,"NC1=NS(=O)(=O)c2ccccc21","NC=1c2c(S(N1)(=O)=O)cccc2"]
[3867,"7681-15-4",null,null,"CCCOC(=O)c1cccnc1(1)",null,null,"CCCOC(=O)c1cccnc1(1)",null,null,"CCCOC(=O)c1cnccc1(1)",null,null,"CCCOC(=O)c1cnccc1(1)",null,"Organic counterion"]
[3868,"7681-76-7","Cn1c([N+](=O)[O-])cnc1COC(N)=O","Cn1c(ncc1[N+](=O)[O-])COC(N)=O",null,"Cn1c([N+](=O)[O-])cnc1COC(N)=O","Cn1c(ncc1[N+](=O)[O-])COC(N)=O",null,"Cn1c([N+](=O)[O-])cnc1COC(N)=O","Cn1c(ncc1[N+](=O)[O-])COC(N)=O",null,"Cn1c([N+](=O)[O-])cnc1COC(N)=O","Cn1c(ncc1[N+](=O)[O-])COC(N)=O"]
[3869,"7681-93-8",{"$nulls":6},"CC1CC=CC=CC=CC=CC(OC2(C)OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)O","CC1OC(C=CC2C(CC(CC3(OC(CC(C=CC=CC=CC=CC1)OC4(C(C(C(C(O4)C)O)N)O)C)C(C(C3)O)C(=O)O)O)O)O2)=O",null,"CC1CC=CC=CC=CC=CC(OC2(C)OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)O","CC1OC(C=CC2C(CC(CC3(OC(CC(C=CC=CC=CC=CC1)OC4(C(C(C(C(O4)C)O)N)O)C)C(C(C3)O)C(=O)O)O)O)O2)=O"]
[3870,"7682-16-8","CCCCC(NC(C)=O)C(=O)O","CCCCC(NC(C)=O)C(=O)O",null,"CCCCC(NC(C)=O)C(=O)O","CCCCC(NC(C)=O)C(=O)O"]
[3871,"7696-12-0","CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C","CC(C)=CC1C(C1C(=O)OCN2C(C3=C(C2=O)CCCC3)=O)(C)C",null,"CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C","CC(C)=CC1C(C1C(=O)OCN2C(C3=C(C2=O)CCCC3)=O)(C)C",null,"CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C","CC(C)=CC1C(C1C(=O)OCN2C(C3=C(C2=O)CCCC3)=O)(C)C",null,"CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C","CC(C)=CC1C(C1C(=O)OCN2C(C3=C(C2=O)CCCC3)=O)(C)C"]
[3872,"7700-17-6","COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1","COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1",null,"COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1","COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1",null,"COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1","COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1",null,"COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1","COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1"]
[3873,"7720-42-5","O=C(O)c1c(Cl)ccc2ccccc12","O=C(O)c1c2c(ccc1Cl)cccc2",{"$nulls":4},"O=C(O)c1c(Cl)ccc2ccccc12","O=C(O)c1c2c(ccc1Cl)cccc2",null,"O=C(O)c1c(Cl)ccc2ccccc12","O=C(O)c1c2c(ccc1Cl)cccc2"]
[3874,"7722-84-1","OO","OO",null,"OO","OO",null,"OO","OO",null,"OO","OO"]
[3875,"7722-88-5","O=P([O-])([O-])OP(=O)([O-])[O-]","O=P(O)(O)OP(=O)(O)O","[Na+](4)","O=P([O-])([O-])OP(=O)([O-])[O-]","O=P(O)(O)OP(=O)(O)O","[Na+](4)","O=P([O-])([O-])OP(=O)([O-])[O-]","O=P(O)(O)OP(=O)(O)O","[Na+](4)","O=P([O-])([O-])OP(=O)([O-])[O-]","O=P(O)(O)OP(=O)(O)O","[Na+](4)"]
[3876,"7726-95-6","[Br]","Br",null,"[Br-]","Br",null,"BrBr","BrBr",null,"BrBr","BrBr"]
[3877,"7727-37-9","[NH2]","[NH2]",null,"N#N","[N-]=[NH2+]",null,"N#N","[N-]=[NH2+]",null,"N#N","[N-]=[NH2+]"]
[3878,"7758-05-6","[O-][I+2]([O-])[O-]","[O-][I+2]([O-])[O-]","[K+](1)","[O-][I+2]([O-])[O-]","[O-][I+2]([O-])[O-]","[K+](1)","[O-][I+2]([O-])[O-]","[O-][I+2]([O-])[O-]","[K+](1)","[O-][I+2]([O-])[O-]","[O-][I+2]([O-])[O-]","[K+](1)"]
[3879,"7758-99-8","O=S(=O)([O-])[O-]","O=S(=O)(O)O","[Cu+2](1), O(4)","O=S(=O)([O-])[O-]","O=S(=O)(O)O","[Cu+2](1), O(4)","O=S(=O)([O-])[O-]","O=S(=O)(O)O","[Cu+2](1), O(4)","O=S(=O)([O-])[O-]","O=S(=O)(O)O","[Cu+2](1), O(4)","Organometallic"]
[3880,"7764-50-3","C=C(C)C1CCC(C)C(=O)C1","C=C(C)C1CC(C(CC1)C)=O",null,"C=C(C)C1CCC(C)C(=O)C1","C=C(C)C1CC(C(CC1)C)=O",null,"C=C(C)C1CCC(C)C(=O)C1","C=C(C)C1CC(C(CC1)C)=O",null,"C=C(C)C1CCC(C)C(=O)C1","C=C(C)C1CC(C(CC1)C)=O"]
[3881,"7778-39-4","O=[As](O)(O)O","O=[As](O)(O)O",null,"O=[As](O)(O)O","O=[As](O)(O)O",null,"O=[As](O)(O)O","O=[As](O)(O)O",null,"O=[As](O)(O)O","O=[As](O)(O)O"]
[3882,"7782-44-7","O","O",null,"O=O","O=O",null,"O=O","O=O",null,"O=O","O=O"]
[3883,"7782-50-5","[Cl]","Cl",null,"ClCl","ClCl",null,"ClCl","ClCl",null,"ClCl","ClCl"]
[3884,"7783-06-4","S","S",null,"S","S",null,"S","S",null,"S","S"]
[3885,"7786-34-7","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",null,"COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",null,"COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",null,"COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC"]
[3886,"7789-89-1","CCC(Cl)(Cl)Cl","CCC(Cl)(Cl)Cl",null,"CCC(Cl)(Cl)Cl","CCC(Cl)(Cl)Cl",null,"CCC(Cl)(Cl)Cl","CCC(Cl)(Cl)Cl",null,"CCC(Cl)(Cl)Cl","CCC(Cl)(Cl)Cl"]
[3887,"8000-41-7","C=C(C)C1CCC(C)(O)CC1","C=C(C)C1CCC(CC1)(C)O","CC1=CCC(CC1)C(C)(C)O(1)","CC1=CCC(C(C)(C)O)CC1","CC=1CCC(CC1)C(C)(C)O"]
[3888,"8000-97-3","CCOP(=O)(OCC)SCCSCC","CCOP(=O)(OCC)SCCSCC","CCOP(=S)(OCC)OCCSCC(1)","CCOP(=O)(OCC)SCCSCC","CCOP(=O)(OCC)SCCSCC","CCOP(=S)(OCC)OCCSCC(1)"]
[3889,"8048-52-0","C[n+]1c2cc(N)ccc2cc2ccc(N)cc21","C[n+]1c2c(cc3c1cc(N)cc3)ccc(N)c2","Nc1ccc2cc3ccc(N)cc3nc2c1(1), [Cl-](1)","C[n+]1c2cc(N)ccc2cc2ccc(N)cc21","C[n+]1c2c(cc3c1cc(N)cc3)ccc(N)c2","Nc1ccc2cc3ccc(N)cc3nc2c1(1), [Cl-](1)"]
[3890,"8065-36-9","CCCC(C)c1cccc(OC(=O)NC)c1","CCCC(C)c1cc(ccc1)OC(=O)NC","CCC(CC)c1cccc(OC(=O)NC)c1(1)","CCCC(C)c1cccc(OC(=O)NC)c1","CCCC(C)c1cc(ccc1)OC(=O)NC","CCC(CC)c1cccc(OC(=O)NC)c1(1)"]
[3891,"9004-57-3"]
[3892,"10004-44-1","Cc1cc(O)no1","Cc1onc(c1)O",null,"Cc1cc(=O)[nH]o1","Cc1o[nH]c(c1)=O",null,"Cc1cc(=O)[nH]o1","Cc1o[nH]c(c1)=O",null,"Cc1cc(=O)[nH]o1","Cc1o[nH]c(c1)=O"]
[3893,"10020-43-6","CCCCCCCCOCCO","CCCCCCCCOCCO",null,"CCCCCCCCOCCO","CCCCCCCCOCCO",null,"CCCCCCCCOCCO","CCCCCCCCOCCO",null,"CCCCCCCCOCCO","CCCCCCCCOCCO"]
[3894,"10021-64-4","CC(C)C(O)C#N","CC(C)C(O)C#N",{"$nulls":4},"CC(C)C(O)C#N","CC(C)C(O)C#N",null,"CC(C)C(O)C#N","CC(C)C(O)C#N"]
[3895,"10025-09-9","OCCCCCO","OCCCCCO","CCC(O)=O(2)","CCC(=O)OCCCCCOC(=O)CC","CCC(=O)OCCCCCOC(=O)CC",null,"CCC(=O)OCCCCCOC(=O)CC","CCC(=O)OCCCCCOC(=O)CC",null,"CCC(=O)OCCCCCOC(=O)CC","CCC(=O)OCCCCCOC(=O)CC"]
[3896,"10031-87-5","CCC(CC)CO","CCC(CC)CO","CC(O)=O(1)","CCC(CC)COC(C)=O","CCC(CC)COC(C)=O",null,"CCC(CC)COC(C)=O","CCC(CC)COC(C)=O",null,"CCC(CC)COC(C)=O","CCC(CC)COC(C)=O"]
[3897,"10054-21-4","CCCCCCCCCCCCN1CC(C(=O)O)CC1=O","CCCCCCCCCCCCN1C(CC(C1)C(=O)O)=O",null,"CCCCCCCCCCCCN1CC(C(=O)O)CC1=O","CCCCCCCCCCCCN1C(CC(C1)C(=O)O)=O"]
[3898,"10061-01-5",{"$nulls":3},"ClC=CCCl","ClC=CCCl",null,"ClC=CCCl","ClC=CCCl",null,"ClC=CCCl","ClC=CCCl"]
[3899,"10061-02-6",{"$nulls":3},"ClC=CCCl","ClC=CCCl",null,"ClC=CCCl","ClC=CCCl",null,"ClC=CCCl","ClC=CCCl"]
[3900,"10099-57-7","CC(C)c1ccc(CCO)cc1","CC(C)c1ccc(cc1)CCO",null,"CC(C)c1ccc(CCO)cc1","CC(C)c1ccc(cc1)CCO",null,"CC(C)c1ccc(CCO)cc1","CC(C)c1ccc(cc1)CCO",null,"CC(C)c1ccc(CCO)cc1","CC(C)c1ccc(cc1)CCO"]
[3901,"10108-61-9","CCC(C)N1C(=O)c2ccccc2C1=O","CCC(C)N1C(c2c(C1=O)cccc2)=O",null,"CCC(C)N1C(=O)c2ccccc2C1=O","CCC(C)N1C(c2c(C1=O)cccc2)=O",null,"CCC(C)N1C(=O)c2ccccc2C1=O","CCC(C)N1C(c2c(C1=O)cccc2)=O",null,"CCC(C)N1C(=O)c2ccccc2C1=O","CCC(C)N1C(c2c(C1=O)cccc2)=O"]
[3902,"10118-90-8",{"$nulls":6},"CN(C)c1ccc(O)c2c1CC1CC3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C1C2=O","CN(C)c1c2c(c(cc1)O)C(C=3C(C2)CC4C(C(C(=C(C4N(C)C)O)C(N)=O)=O)(O)C3O)=O",null,"CN(C)c1ccc(O)c2c1CC1CC3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C1C2=O","CN(C)c1c2c(c(cc1)O)C(C=3C(C2)CC4C(C(C(=C(C4N(C)C)O)C(N)=O)=O)(O)C3O)=O"]
[3903,"10143-31-4","CCCN(CCC)C(=O)CCC(=O)OCC","CCCN(CCC)C(=O)CCC(=O)OCC",null,"CCCN(CCC)C(=O)CCC(=O)OCC","CCCN(CCC)C(=O)CCC(=O)OCC",{"$nulls":4},"CCCN(CCC)C(=O)CCC(=O)OCC","CCCN(CCC)C(=O)CCC(=O)OCC"]
[3904,"10180-00-4","CC1CC1(C(=O)O)C(=O)O","CC1C(C1)(C(=O)O)C(=O)O",{"$nulls":4},"CC1CC1(C(=O)O)C(=O)O","CC1C(C1)(C(=O)O)C(=O)O",null,"CC1CC1(C(=O)O)C(=O)O","CC1C(C1)(C(=O)O)C(=O)O"]
[3905,"10186-26-2","O=C(O)CC(C(=O)O)(c1ccccc1)c1ccccc1","O=C(O)CC(C(=O)O)(c1ccccc1)c2ccccc2",{"$nulls":4},"O=C(O)CC(C(=O)O)(c1ccccc1)c1ccccc1","O=C(O)CC(C(=O)O)(c1ccccc1)c2ccccc2",null,"O=C(O)CC(C(=O)O)(c1ccccc1)c1ccccc1","O=C(O)CC(C(=O)O)(c1ccccc1)c2ccccc2"]
[3906,"10222-01-2","N#CC(Br)(Br)C(N)=O","N#CC(Br)(Br)C(N)=O",null,"N#CC(Br)(Br)C(N)=O","N#CC(Br)(Br)C(N)=O",null,"N#CC(Br)(Br)C(N)=O","N#CC(Br)(Br)C(N)=O",null,"N#CC(Br)(Br)C(N)=O","N#CC(Br)(Br)C(N)=O"]
[3907,"10238-21-8","COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3",null,"COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3",null,"COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3",null,"COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3"]
[3908,"10265-92-6","COP(N)(=O)SC","COP(N)(=O)SC",null,"COP(N)(=O)SC","COP(N)(=O)SC",null,"COP(N)(=O)SC","COP(N)(=O)SC",null,"COP(N)(=O)SC","COP(N)(=O)SC"]
[3909,"10290-01-4",{"$nulls":3},"CC(C)(O)C(=O)OCCc1ccccc1","CC(C)(O)C(=O)OCCc1ccccc1",{"$nulls":4},"CC(C)(O)C(=O)OCCc1ccccc1","CC(C)(O)C(=O)OCCc1ccccc1"]
[3910,"10311-84-9","CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O","CCOP(=S)(OCC)SC(CCl)N1C(c2c(C1=O)cccc2)=O",null,"CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O","CCOP(=S)(OCC)SC(CCl)N1C(c2c(C1=O)cccc2)=O",null,"CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O","CCOP(=S)(OCC)SC(CCl)N1C(c2c(C1=O)cccc2)=O",null,"CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O","CCOP(=S)(OCC)SC(CCl)N1C(c2c(C1=O)cccc2)=O"]
[3911,"10315-98-7","CC(C)CN1CCOCC1","CC(C)CN1CCOCC1",null,"CC(C)CN1CCOCC1","CC(C)CN1CCOCC1",null,"CC(C)CN1CCOCC1","CC(C)CN1CCOCC1",null,"CC(C)CN1CCOCC1","CC(C)CN1CCOCC1"]
[3912,"10346-50-6","CC(=O)NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)O","CC(=O)NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O",{"$nulls":4},"CC(O)=NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)O","CC(O)=NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O",null,"CC(O)=NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)O","CC(O)=NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O"]
[3913,"10349-01-6"]
[3914,"10349-57-2","O=C(O)c1ccc2ncccc2c1","O=C(O)c1cc2c(cc1)nccc2",null,"O=C(O)c1ccc2ncccc2c1","O=C(O)c1cc2c(cc1)nccc2",null,"O=C(O)c1ccc2ncccc2c1","O=C(O)c1cc2c(cc1)nccc2",null,"O=C(O)c1ccc2ncccc2c1","O=C(O)c1cc2c(cc1)nccc2"]
[3915,"10354-56-0","O=C(NC1CCCCC1)c1cccnc1","O=C(NC1CCCCC1)c2cnccc2",null,"O=C(NC1CCCCC1)c1cccnc1","O=C(NC1CCCCC1)c2cnccc2",null,"OC(=NC1CCCCC1)c1cccnc1","OC(=NC1CCCCC1)c2cnccc2",null,"OC(=NC1CCCCC1)c1cccnc1","OC(=NC1CCCCC1)c2cnccc2"]
[3916,"10373-81-6","CC12CCC(C(O)C1=O)C2(C)C","CC12C(C(C(CC1)C2(C)C)O)=O"]
[3917,"10403-47-1","Nc1cc([N+](=O)[O-])ccc1Br","Nc1c(ccc(c1)[N+](=O)[O-])Br",null,"Nc1cc([N+](=O)[O-])ccc1Br","Nc1c(ccc(c1)[N+](=O)[O-])Br",null,"Nc1cc([N+](=O)[O-])ccc1Br","Nc1c(ccc(c1)[N+](=O)[O-])Br",null,"Nc1cc([N+](=O)[O-])ccc1Br","Nc1c(ccc(c1)[N+](=O)[O-])Br"]
[3918,"10408-17-0"]
[3919,"10438-94-5","CCCCCCCCOCC(O)CO","CCCCCCCCOCC(O)CO",null,"CCCCCCCCOCC(O)CO","CCCCCCCCOCC(O)CO",null,"CCCCCCCCOCC(O)CO","CCCCCCCCOCC(O)CO",null,"CCCCCCCCOCC(O)CO","CCCCCCCCOCC(O)CO"]
[3920,"10443-70-6",{"$nulls":3},"CCOC(=O)CCCOc1ccc(Cl)cc1C","CCOC(=O)CCCOc1c(cc(cc1)Cl)C",null,"CCOC(=O)CCCOc1ccc(Cl)cc1C","CCOC(=O)CCCOc1c(cc(cc1)Cl)C",null,"CCOC(=O)CCCOc1ccc(Cl)cc1C","CCOC(=O)CCCOc1c(cc(cc1)Cl)C"]
[3921,"10453-86-8","CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C",null,"CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C",null,"CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C",null,"CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C"]
[3922,"10457-90-6","O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Br)c3ccc(cc3)F",null,"O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Br)c3ccc(cc3)F",null,"O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Br)c3ccc(cc3)F",null,"O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Br)c3ccc(cc3)F"]
[3923,"10460-33-0","Cc1c(Cl)c(O)c(Cl)c(Cl)c1Cl","Cc1c(c(c(c(c1Cl)O)Cl)Cl)Cl",{"$nulls":4},"Cc1c(Cl)c(O)c(Cl)c(Cl)c1Cl","Cc1c(c(c(c(c1Cl)O)Cl)Cl)Cl",null,"Cc1c(Cl)c(O)c(Cl)c(Cl)c1Cl","Cc1c(c(c(c(c1Cl)O)Cl)Cl)Cl"]
[3924,"10463-05-5","CCOP(=O)(OC)OC","CCOP(=O)(OC)OC",null,"CCOP(=O)(OC)OC","CCOP(=O)(OC)OC",null,"CCOP(=O)(OC)OC","CCOP(=O)(OC)OC",null,"CCOP(=O)(OC)OC","CCOP(=O)(OC)OC"]
[3925,"10473-13-9","C=C(C)C(C)(C)O","C=C(C)C(C)(C)O",null,"C=C(C)C(C)(C)O","C=C(C)C(C)(C)O",null,"C=C(C)C(C)(C)O","C=C(C)C(C)(C)O",null,"C=C(C)C(C)(C)O","C=C(C)C(C)(C)O"]
[3926,"10548-10-4","CCOP(=S)(OCC)SCS(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)C(C)(C)C",null,"CCOP(=S)(OCC)SCS(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)C(C)(C)C",null,"CCOP(=S)(OCC)SCS(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)C(C)(C)C",null,"CCOP(=S)(OCC)SCS(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)C(C)(C)C"]
[3927,"10552-74-6","CC(C)OC(=O)c1cc(C(=O)OC(C)C)cc([N+](=O)[O-])c1","CC(C)OC(=O)c1cc(cc(c1)C(=O)OC(C)C)[N+](=O)[O-]",null,"CC(C)OC(=O)c1cc(C(=O)OC(C)C)cc([N+](=O)[O-])c1","CC(C)OC(=O)c1cc(cc(c1)C(=O)OC(C)C)[N+](=O)[O-]",null,"CC(C)OC(=O)c1cc(C(=O)OC(C)C)cc([N+](=O)[O-])c1","CC(C)OC(=O)c1cc(cc(c1)C(=O)OC(C)C)[N+](=O)[O-]",null,"CC(C)OC(=O)c1cc(C(=O)OC(C)C)cc([N+](=O)[O-])c1","CC(C)OC(=O)c1cc(cc(c1)C(=O)OC(C)C)[N+](=O)[O-]"]
[3928,"10571-73-0"]
[3929,"10595-95-6",{"$nulls":3},"CCN(C)N=O","CCN(C)N=O",null,"CCN(C)N=O","CCN(C)N=O",null,"CCN(C)N=O","CCN(C)N=O"]
[3930,"10604-70-3","O=C(S)CCCCC(=O)S","O=C(S)CCCCC(=O)S",null,"O=C(S)CCCCC(=O)S","O=C(S)CCCCC(=O)S",null,"O=C(S)CCCCC(=O)S","O=C(S)CCCCC(=O)S",null,"O=C(S)CCCCC(=O)S","O=C(S)CCCCC(=O)S"]
[3931,"11039-70-6"]
[3932,"11096-82-5","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl"]
[3933,"11097-69-1","Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",null,"Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl"]
[3934,"11104-28-2"]
[3935,"11141-16-5"]
[3936,"11141-17-6",{"$nulls":3},"CC=C(C)C(=O)OC1CC(OC(C)=O)C2(C(=O)OC)COC3C2C12COC(O)(C(=O)OC)C2C(C)(C12OC1(C)C1CC2OC2OC=CC21O)C3O","CC=C(C)C(=O)OC1C23C4C(C(C1)OC(C)=O)(C(=O)OC)COC4C(C(C2C(OC3)(O)C(=O)OC)(C)C56C(O5)(C)C7C8(C(OC6C7)OC=C8)O)O",null,"CC=C(C)C(=O)OC1CC(OC(C)=O)C2(C(=O)OC)COC3C2C12COC(O)(C(=O)OC)C2C(C)(C12OC1(C)C1CC2OC2OC=CC21O)C3O","CC=C(C)C(=O)OC1C23C4C(C(C1)OC(C)=O)(C(=O)OC)COC4C(C(C2C(OC3)(O)C(=O)OC)(C)C56C(O5)(C)C7C8(C(OC6C7)OC=C8)O)O",null,"CC=C(C)C(=O)OC1CC(OC(C)=O)C2(C(=O)OC)COC3C2C12COC(O)(C(=O)OC)C2C(C)(C12OC1(C)C1CC2OC2OC=CC21O)C3O","CC=C(C)C(=O)OC1C23C4C(C(C1)OC(C)=O)(C(=O)OC)COC4C(C(C2C(OC3)(O)C(=O)OC)(C)C56C(O5)(C)C7C8(C(OC6C7)OC=C8)O)O"]
[3937,"11672-87-0","O=P(O)(O)CCCl","O=P(O)(O)CCCl",{"$nulls":4},"O=P(O)(O)CCCl","O=P(O)(O)CCCl"]
[3938,"12002-48-1","Clc1cccc(Cl)c1Cl","Clc1c(c(ccc1)Cl)Cl",null,"Clc1cccc(Cl)c1Cl","Clc1c(c(ccc1)Cl)Cl"]
[3939,"12108-13-3","C[Mn]C1=CC=CC1","C[Mn]C=1CC=CC1",null,"C[c-]1cccc1","CC1C=CC=C1","[Mn](1), [C-]#[O+](3)",{"$nulls":3},"CC1C=[C-]C=C1","CC1C=[C-]C=C1","[Mn+](1), [C-]#[O+](3)","Organometallic"]
[3940,"12239-34-8","CCOc1cc(N=Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Br)c(NC(C)=O)cc1N(CCOC(C)=O)CCOC(C)=O","CCOc1c(cc(c(c1)N=Nc2c(c(cc(c2)[N+](=O)[O-])[N+](=O)[O-])Br)NC(C)=O)N(CCOC(C)=O)CCOC(C)=O",null,"CCOc1cc(N=Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Br)c(NC(C)=O)cc1N(CCOC(C)=O)CCOC(C)=O","CCOc1c(cc(c(c1)N=Nc2c(c(cc(c2)[N+](=O)[O-])[N+](=O)[O-])Br)NC(C)=O)N(CCOC(C)=O)CCOC(C)=O",{"$nulls":4},"CCOc1cc(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1N(CCOC(C)=O)CCOC(C)=O","CCOc1c(cc(c(c1)N=Nc2c(cc(cc2Br)[N+](=O)[O-])[N+](=O)[O-])NC(C)=O)N(CCOC(C)=O)CCOC(C)=O"]
[3941,"12407-86-2","CNC(=O)Oc1cc(C)cc(C)c1C","CNC(=O)Oc1c(c(cc(c1)C)C)C",null,"CNC(=O)Oc1cc(C)cc(C)c1C","CNC(=O)Oc1c(c(cc(c1)C)C)C"]
[3942,"12672-29-6","Clc1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl",null,"Clc1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl"]
[3943,"12674-11-2","Clc1cccc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(ccc1)-c2cc(cc(c2)Cl)Cl",null,"Clc1cccc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(ccc1)-c2cc(cc(c2)Cl)Cl"]
[3944,"12758-40-6","O=C(O)CC[Ge](=O)O[Ge](=O)CCC(=O)O","O=C(O)CC[Ge](=O)O[Ge](=O)CCC(=O)O",null,"O=C(O)CC[Ge](=O)O[Ge](=O)CCC(=O)O","O=C(O)CC[Ge](=O)O[Ge](=O)CCC(=O)O",null,"O=C(O)CC[Ge](=O)O[Ge](=O)CCC(=O)O","O=C(O)CC[Ge](=O)O[Ge](=O)CCC(=O)O",null,"O=C(O)CC[Ge](=O)O[Ge](=O)CCC(=O)O","O=C(O)CC[Ge](=O)O[Ge](=O)CCC(=O)O"]
[3945,"12771-68-5","COc1ccc(C(O)(c2cncnc2)C2CC2)cc1","COc1ccc(cc1)C(O)(c2cncnc2)C3CC3",null,"COc1ccc(C(O)(c2cncnc2)C2CC2)cc1","COc1ccc(cc1)C(O)(c2cncnc2)C3CC3",null,"COc1ccc(C(O)(c2cncnc2)C2CC2)cc1","COc1ccc(cc1)C(O)(c2cncnc2)C3CC3"]
[3946,"13021-54-0","CC(C)OCC(O)COC(C)C","CC(C)OCC(O)COC(C)C",null,"CC(C)OCC(O)COC(C)C","CC(C)OCC(O)COC(C)C",{"$nulls":4},"CC(C)OCC(O)COC(C)C","CC(C)OCC(O)COC(C)C"]
[3947,"13021-58-4","CC(C)CC(C)OCC(O)CO","CC(C)CC(C)OCC(O)CO"]
[3948,"13027-07-1"]
[3949,"13029-08-8","Clc1ccccc1-c1ccccc1Cl","Clc1c(cccc1)-c2c(cccc2)Cl",null,"Clc1ccccc1-c1ccccc1Cl","Clc1c(cccc1)-c2c(cccc2)Cl",null,"Clc1ccccc1-c1ccccc1Cl","Clc1c(cccc1)-c2c(cccc2)Cl",null,"Clc1ccccc1-c1ccccc1Cl","Clc1c(cccc1)-c2c(cccc2)Cl"]
[3950,"13067-93-1","CCOP(=S)(Oc1ccc(C#N)cc1)c1ccccc1","CCOP(=S)(Oc1ccc(cc1)C#N)c2ccccc2",null,"CCOP(=S)(Oc1ccc(C#N)cc1)c1ccccc1","CCOP(=S)(Oc1ccc(cc1)C#N)c2ccccc2",null,"CCOP(=S)(Oc1ccc(C#N)cc1)c1ccccc1","CCOP(=S)(Oc1ccc(cc1)C#N)c2ccccc2",null,"CCOP(=S)(Oc1ccc(C#N)cc1)c1ccccc1","CCOP(=S)(Oc1ccc(cc1)C#N)c2ccccc2"]
[3951,"13071-79-9","CCOP(=S)(OCC)SCSC(C)(C)C","CCOP(=S)(OCC)SCSC(C)(C)C",null,"CCOP(=S)(OCC)SCSC(C)(C)C","CCOP(=S)(OCC)SCSC(C)(C)C",null,"CCOP(=S)(OCC)SCSC(C)(C)C","CCOP(=S)(OCC)SCSC(C)(C)C",null,"CCOP(=S)(OCC)SCSC(C)(C)C","CCOP(=S)(OCC)SCSC(C)(C)C"]
[3952,"13110-37-7",{"$nulls":3},"CCCCCOC(=O)c1ccc(N)cc1","CCCCCOC(=O)c1ccc(cc1)N",null,"CCCCCOC(=O)c1ccc(N)cc1","CCCCCOC(=O)c1ccc(cc1)N",null,"CCCCCOC(=O)c1ccc(N)cc1","CCCCCOC(=O)c1ccc(cc1)N"]
[3953,"13110-96-8","CC(=O)c1ccc(O)c(C(=O)O)c1","CC(=O)c1cc(c(cc1)O)C(=O)O",null,"CC(=O)c1ccc(O)c(C(=O)[O-])c1","CC(=O)c1cc(c(cc1)O)C(=O)O",null,"CC(=O)c1ccc(O)c(C(=O)O)c1","CC(=O)c1cc(c(cc1)O)C(=O)O",null,"CC(=O)c1ccc(O)c(C(=O)O)c1","CC(=O)c1cc(c(cc1)O)C(=O)O"]
[3954,"13116-53-5","ClCC(Cl)(Cl)CCl","ClCC(Cl)(Cl)CCl",null,"ClCC(Cl)(Cl)CCl","ClCC(Cl)(Cl)CCl",null,"ClCC(Cl)(Cl)CCl","ClCC(Cl)(Cl)CCl",null,"ClCC(Cl)(Cl)CCl","ClCC(Cl)(Cl)CCl"]
[3955,"13137-64-9","COC1C(O)C(COC2C(O)CC(O)OC2C)OC(OC2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C1O","COC1C(C(OC(C1O)COC2C(OC(CC2O)O)C)OC3CC4(C(CC3)(C)C5C(C6(C(CC5)(C)C(C=7COC(C7)=O)CC6)O)CC4)O)O",null,"COC1C(O)C(COC2C(O)CC(O)OC2C)OC(OC2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C1O","COC1C(C(OC(C1O)COC2C(OC(CC2O)O)C)OC3CC4(C(CC3)(C)C5C(C6(C(CC5)(C)C(C=7COC(C7)=O)CC6)O)CC4)O)O"]
[3956,"13148-94-2","CC1=C(C(=O)O)CCCC1","CC=1CCCCC1C(=O)O",{"$nulls":4},"CC1=C(C(=O)O)CCCC1","CC=1CCCCC1C(=O)O"]
[3957,"13158-31-1","CN(C)C(=O)c1ccc(C(=O)N(C)C)cc1","CN(C)C(=O)c1ccc(cc1)C(=O)N(C)C",null,"CN(C)C(=O)c1ccc(C(=O)N(C)C)cc1","CN(C)C(=O)c1ccc(cc1)C(=O)N(C)C",null,"CN(C)C(=O)c1ccc(C(=O)N(C)C)cc1","CN(C)C(=O)c1ccc(cc1)C(=O)N(C)C",null,"CN(C)C(=O)c1ccc(C(=O)N(C)C)cc1","CN(C)C(=O)c1ccc(cc1)C(=O)N(C)C"]
[3958,"13160-07-1","O=C(Nc1ccccn1)c1cccnc1","O=C(Nc1ncccc1)c2cnccc2",null,"O=C(Nc1ccccn1)c1cccnc1","O=C(Nc1ncccc1)c2cnccc2",null,"O=C(Nc1ccccn1)c1cccnc1","O=C(Nc1ncccc1)c2cnccc2",null,"O=C(Nc1ccccn1)c1cccnc1","O=C(Nc1ncccc1)c2cnccc2"]
[3959,"13171-21-6","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC",null,"CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC",null,"CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC",null,"CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC"]
[3960,"13181-17-4","O=C1C(Br)=CC(=CNOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C=C1Br","O=C1C(=CC(C=C1Br)=CNOc2c(cc(cc2)[N+](=O)[O-])[N+](=O)[O-])Br",null,"O=C1C(Br)=CC(=CNOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C=C1Br","O=C1C(=CC(C=C1Br)=CNOc2c(cc(cc2)[N+](=O)[O-])[N+](=O)[O-])Br",null,"O=[N+]([O-])c1ccc(ON=Cc2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)ON=Cc2cc(c(c(c2)Br)O)Br)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(ON=Cc2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)ON=Cc2cc(c(c(c2)Br)O)Br)[N+](=O)[O-]"]
[3961,"13182-58-6",{"$nulls":3},"Cn1c(=S)c2c(ncn2C)n(C)c1=O","Cn1c(n(c2c(c1=S)n(cn2)C)C)=O",{"$nulls":4},"Cn1c(=S)c2c(ncn2C)n(C)c1=O","Cn1c(n(c2c(c1=S)n(cn2)C)C)=O"]
[3962,"13194-48-4","CCCSP(=O)(OCC)SCCC","CCCSP(=O)(OCC)SCCC",null,"CCCSP(=O)(OCC)SCCC","CCCSP(=O)(OCC)SCCC",null,"CCCSP(=O)(OCC)SCCC","CCCSP(=O)(OCC)SCCC",null,"CCCSP(=O)(OCC)SCCC","CCCSP(=O)(OCC)SCCC"]
[3963,"13230-97-2","O=c1nc2nc[nH]cc-2[nH]1","O=c1[nH]c2-c(n1)nc[nH]c2",null,"O=c1[nH]c2cncnc2[nH]1","O=c1[nH]c2c([nH]1)cncn2"]
[3964,"13256-22-9","CN(CC(=O)O)N=O","CN(CC(=O)O)N=O",null,"CN(CC(=O)O)N=O","CN(CC(=O)O)N=O",null,"CN(CC(=O)O)N=O","CN(CC(=O)O)N=O",null,"CN(CC(=O)O)N=O","CN(CC(=O)O)N=O"]
[3965,"13261-53-5","N=C(N)NC(=N)Nc1cccc2ccccc12","N=C(N)NC(=N)Nc1c2c(ccc1)cccc2",{"$nulls":7},"NC(N)=NC(N)=Nc1cccc2ccccc12","NC(N)=NC(N)=Nc1c2c(ccc1)cccc2"]
[3966,"13286-32-3","CCOP(=O)(OCC)SCc1ccccc1","CCOP(=O)(OCC)SCc1ccccc1",null,"CCOP(=O)(OCC)SCc1ccccc1","CCOP(=O)(OCC)SCc1ccccc1",{"$nulls":4},"CCOP(=O)(OCC)SCc1ccccc1","CCOP(=O)(OCC)SCc1ccccc1"]
[3967,"13292-46-1",{"$nulls":6},"COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C","COC1C(C(C(C(C(C(C(C=CC=C(C(Nc2c(c3c(c(c4OC(OC=C1)(C(c4c3c(c2C=NN5CCN(CC5)C)O)=O)C)C)O)O)=O)C)C)O)C)O)C)OC(C)=O)C",null,"COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C","COC1C(C(C(C(C(C(C(C=CC=C(C(Nc2c(c3c(c(c4OC(OC=C1)(C(c4c3c(c2C=NN5CCN(CC5)C)O)=O)C)C)O)O)=O)C)C)O)C)O)C)OC(C)=O)C"]
[3968,"13324-20-4","Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(Nc3nc(Cl)nc(Cl)n3)c2)c2c1C(=O)c1ccccc1C2=O","Nc1c2c(c(cc1S(=O)(=O)O)Nc3cc(c(cc3)S(=O)(=O)O)Nc4nc(nc(n4)Cl)Cl)C(c5c(C2=O)cccc5)=O",null,"Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(Nc3nc(Cl)nc(Cl)n3)c2)c2c1C(=O)c1ccccc1C2=O","Nc1c2c(c(cc1S(=O)(=O)O)Nc3cc(c(cc3)S(=O)(=O)O)Nc4nc(nc(n4)Cl)Cl)C(c5c(C2=O)cccc5)=O",null,"Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(Nc3nc(Cl)nc(Cl)n3)c2)c2c1C(=O)c1ccccc1C2=O","Nc1c2c(c(cc1S(=O)(=O)O)Nc3cc(c(cc3)S(=O)(=O)O)Nc4nc(nc(n4)Cl)Cl)C(c5c(C2=O)cccc5)=O",null,"Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(Nc3nc(Cl)nc(Cl)n3)c2)c2c1C(=O)c1ccccc1C2=O","Nc1c2c(c(cc1S(=O)(=O)O)Nc3cc(c(cc3)S(=O)(=O)O)Nc4nc(nc(n4)Cl)Cl)C(c5c(C2=O)cccc5)=O"]
[3969,"13330-93-3",{"$nulls":3},"O=C(O)CSC(C(=O)O)c1ccccc1","O=C(O)CSC(C(=O)O)c1ccccc1",{"$nulls":4},"O=C(O)CSC(C(=O)O)c1ccccc1","O=C(O)CSC(C(=O)O)c1ccccc1"]
[3970,"13360-45-7","CON(C)C(=O)Nc1ccc(Br)c(Cl)c1","CON(C)C(=O)Nc1cc(c(cc1)Br)Cl",null,"CON(C)C(=O)Nc1ccc(Br)c(Cl)c1","CON(C)C(=O)Nc1cc(c(cc1)Br)Cl",null,"CON(C)C(=O)Nc1ccc(Br)c(Cl)c1","CON(C)C(=O)Nc1cc(c(cc1)Br)Cl",null,"CON(C)C(=O)Nc1ccc(Br)c(Cl)c1","CON(C)C(=O)Nc1cc(c(cc1)Br)Cl"]
[3971,"13360-63-9","CCCCNCC","CCCCNCC",null,"CCCCNCC","CCCCNCC",null,"CCCCNCC","CCCCNCC",null,"CCCCNCC","CCCCNCC"]
[3972,"13401-18-8","Cn1c(=O)c2nccnc2n(C)c1=O","Cn1c(n(c2c(c1=O)nccn2)C)=O",null,"Cn1c(=O)c2nccnc2n(C)c1=O","Cn1c(n(c2c(c1=O)nccn2)C)=O",null,"Cn1c(=O)c2nccnc2n(C)c1=O","Cn1c(n(c2c(c1=O)nccn2)C)=O",null,"Cn1c(=O)c2nccnc2n(C)c1=O","Cn1c(n(c2c(c1=O)nccn2)C)=O"]
[3973,"13414-55-6","CC1(C)Cc2cccc([N+](=O)[O-])c2O1","CC1(Oc2c(C1)cccc2[N+](=O)[O-])C",null,"CC1(C)Cc2cccc([N+](=O)[O-])c2O1","CC1(Oc2c(C1)cccc2[N+](=O)[O-])C",null,"CC1(C)Cc2cccc([N+](=O)[O-])c2O1","CC1(Oc2c(C1)cccc2[N+](=O)[O-])C",null,"CC1(C)Cc2cccc([N+](=O)[O-])c2O1","CC1(Oc2c(C1)cccc2[N+](=O)[O-])C"]
[3974,"13423-15-9","CC1CCOC1","CC1COCC1",null,"CC1CCOC1","CC1COCC1",null,"CC1CCOC1","CC1COCC1",null,"CC1CCOC1","CC1COCC1"]
[3975,"13425-39-3","Cn1c(=O)c2c(ncn2CCOC(=O)c2cccnc2)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)CCOC(=O)c3cnccc3)C)=O",null,"Cn1c(=O)c2c(ncn2CCOC(=O)c2cccnc2)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)CCOC(=O)c3cnccc3)C)=O",null,"Cn1c(=O)c2c(ncn2CCOC(=O)c2cccnc2)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)CCOC(=O)c3cnccc3)C)=O",null,"Cn1c(=O)c2c(ncn2CCOC(=O)c2cccnc2)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)CCOC(=O)c3cnccc3)C)=O"]
[3976,"13435-16-0",{"$nulls":3},"NC(=O)NC(=O)c1ccccc1C(=O)O","NC(=O)NC(=O)c1c(cccc1)C(=O)O",{"$nulls":4},"NC(=O)NC(=O)c1ccccc1C(=O)O","NC(=O)NC(=O)c1c(cccc1)C(=O)O"]
[3977,"13443-68-0","CC(=O)NC(CSc1cccc(Cl)c1)C(=O)O","CC(=O)NC(CSc1cc(ccc1)Cl)C(=O)O"]
[3978,"13443-69-1","CC(=O)NC(CSc1ccc(Cl)c(Cl)c1)C(=O)O","CC(=O)NC(CSc1cc(c(cc1)Cl)Cl)C(=O)O",null,"CC(=O)NC(CSc1ccc(Cl)c(Cl)c1)C(=O)O","CC(=O)NC(CSc1cc(c(cc1)Cl)Cl)C(=O)O",null,"CC(O)=NC(CSc1ccc(Cl)c(Cl)c1)C(=O)O","CC(O)=NC(CSc1cc(c(cc1)Cl)Cl)C(=O)O",null,"CC(O)=NC(CSc1ccc(Cl)c(Cl)c1)C(=O)O","CC(O)=NC(CSc1cc(c(cc1)Cl)Cl)C(=O)O"]
[3979,"13457-18-6","CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C","CCOC(=O)c1c(nc2n(c1)nc(OP(=S)(OCC)OCC)c2)C",null,"CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C","CCOC(=O)c1c(nc2n(c1)nc(OP(=S)(OCC)OCC)c2)C",null,"CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C","CCOC(=O)c1c(nc2n(c1)nc(OP(=S)(OCC)OCC)c2)C",null,"CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C","CCOC(=O)c1c(nc2n(c1)nc(OP(=S)(OCC)OCC)c2)C"]
[3980,"13472-79-2","O=c1ccc(I)c[nH]1","O=c1[nH]cc(cc1)I",null,"O=c1ccc(I)c[nH]1","O=c1[nH]cc(cc1)I",null,"O=c1ccc(I)c[nH]1","O=c1[nH]cc(cc1)I",null,"O=c1ccc(I)c[nH]1","O=c1[nH]cc(cc1)I"]
[3981,"13476-55-6","CCCCCCOC(=O)c1ccc(N)cc1","CCCCCCOC(=O)c1ccc(cc1)N"]
[3982,"13493-97-5","OCc1ccco1","OCc1occc1","OC=O(1)",{"$nulls":3},"O=COCc1ccco1","O=COCc1occc1",null,"O=COCc1ccco1","O=COCc1occc1"]
[3983,"13516-27-3",{"$nulls":3},"NC(N)=NCCCCCCCCNCCCCCCCCN=C(N)N","NC(N)=NCCCCCCCCNCCCCCCCCN=C(N)N",{"$nulls":4},"N=C(N)NCCCCCCCCNCCCCCCCCNC(=N)N","N=C(N)NCCCCCCCCNCCCCCCCCNC(=N)N"]
[3984,"13532-26-8","CCNc1nc(OC)nc(N(CC)CC)n1","CCNc1nc(nc(n1)OC)N(CC)CC",null,"CCNc1nc(OC)nc(N(CC)CC)n1","CCNc1nc(nc(n1)OC)N(CC)CC",{"$nulls":4},"CCNc1nc(OC)nc(N(CC)CC)n1","CCNc1nc(nc(n1)OC)N(CC)CC"]
[3985,"13539-59-8","CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O","CCCC1C(N2N(C1=O)C(N(C)C)=Nc3c2cc(cc3)C)=O",null,"CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O","CCCC1C(N2N(C1=O)C(N(C)C)=Nc3c2cc(cc3)C)=O",null,"CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O","CCCC1C(N2N(C1=O)C(N(C)C)=Nc3c2cc(cc3)C)=O",null,"CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O","CCCC1C(N2N(C1=O)C(N(C)C)=Nc3c2cc(cc3)C)=O"]
[3986,"13544-80-4",{"$nulls":3},"CCCCOC(=O)C(C)OC(=O)C(C)O","CCCCOC(=O)C(C)OC(=O)C(C)O",{"$nulls":4},"CCCCOC(=O)C(C)OC(=O)C(C)O","CCCCOC(=O)C(C)OC(=O)C(C)O"]
[3987,"13545-04-5",{"$nulls":3},"CC(C(=O)[O-])C(C)C(=O)[O-]","CC(C(=O)O)C(C)C(=O)O"]
[3988,"13547-17-6","NC(=O)NCNC(N)=O","NC(=O)NCNC(N)=O",null,"NC(=O)NCNC(N)=O","NC(=O)NCNC(N)=O",null,"NC(=O)NCNC(N)=O","NC(=O)NCNC(N)=O",null,"NC(=O)NCNC(N)=O","NC(=O)NCNC(N)=O"]
[3989,"13552-21-1","CCC(O)CN","CCC(O)CN",null,"CCC(O)CN","CCC(O)CN",null,"CCC(O)CN","CCC(O)CN",null,"CCC(O)CN","CCC(O)CN"]
[3990,"13560-89-9","ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","ClC1(C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"ClC1=C(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C2(Cl)Cl)C1(Cl)C(Cl)=C(Cl)C4(Cl)C1(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)CCC4C5(C(=C(C(C4CC3)(C5(Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"ClC1=C(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C2(Cl)Cl)C1(Cl)C(Cl)=C(Cl)C4(Cl)C1(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)CCC4C5(C(=C(C(C4CC3)(C5(Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"ClC1=C(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C2(Cl)Cl)C1(Cl)C(Cl)=C(Cl)C4(Cl)C1(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)CCC4C5(C(=C(C(C4CC3)(C5(Cl)Cl)Cl)Cl)Cl)Cl)Cl"]
[3991,"13593-03-8","CCOP(=S)(OCC)Oc1cnc2ccccc2n1","CCOP(=S)(OCC)Oc1nc2c(nc1)cccc2",null,"CCOP(=S)(OCC)Oc1cnc2ccccc2n1","CCOP(=S)(OCC)Oc1nc2c(nc1)cccc2",null,"CCOP(=S)(OCC)Oc1cnc2ccccc2n1","CCOP(=S)(OCC)Oc1nc2c(nc1)cccc2",null,"CCOP(=S)(OCC)Oc1cnc2ccccc2n1","CCOP(=S)(OCC)Oc1nc2c(nc1)cccc2"]
[3992,"13602-12-5",null,null,"OC(=O)c1cc[n+]([O-])cc1(1)",null,null,"OC(=O)c1cc[n+]([O-])cc1(1)",{"$nulls":5},"OC(=O)c1cc[n+]([O-])cc1(1)"]
[3993,"13603-14-0",{"$nulls":3},"CCCC1CCCNC1","CCCC1CNCCC1"]
[3994,"13674-84-5","O=P(O)(O)O","O=P(O)(O)O","CC(O)CCl(3)","CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl","CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl",null,"CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl","CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl",null,"CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl","CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl"]
[3995,"13674-87-8",{"$nulls":3},"O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl","O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl",null,"O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl","O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl",null,"O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl","O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl"]
[3996,"13684-56-5","CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1","CCOC(=O)Nc1cc(ccc1)OC(=O)Nc2ccccc2",null,"CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1","CCOC(=O)Nc1cc(ccc1)OC(=O)Nc2ccccc2",null,"CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1","CCOC(=O)Nc1cc(ccc1)OC(=O)Nc2ccccc2",null,"CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1","CCOC(=O)Nc1cc(ccc1)OC(=O)Nc2ccccc2"]
[3997,"13684-63-4","COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1","COC(=O)Nc1cc(ccc1)OC(=O)Nc2cc(ccc2)C",null,"COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1","COC(=O)Nc1cc(ccc1)OC(=O)Nc2cc(ccc2)C",null,"COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1","COC(=O)Nc1cc(ccc1)OC(=O)Nc2cc(ccc2)C",null,"COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1","COC(=O)Nc1cc(ccc1)OC(=O)Nc2cc(ccc2)C"]
[3998,"13698-49-2","CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)C=CC4(C)C3CCC21C","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)Cl)=CC(=O)C=C4)C)CC2)C)C(C)=O",null,"CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)C=CC4(C)C3CCC21C","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)Cl)=CC(=O)C=C4)C)CC2)C)C(C)=O",null,"CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)C=CC4(C)C3CCC21C","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)Cl)=CC(=O)C=C4)C)CC2)C)C(C)=O",null,"CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)C=CC4(C)C3CCC21C","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)Cl)=CC(=O)C=C4)C)CC2)C)C(C)=O"]
[3999,"13838-08-9","[N-]=[N+]=NCC(=O)NC(CO)C(O)c1ccc([N+](=O)[O-])cc1","[N-]=[N+]=NCC(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-]",null,"[N-]=[N+]=NCC(=O)NC(CO)C(O)c1ccc([N+](=O)[O-])cc1","[N-]=[N+]=NCC(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},"[N-]=[N+]=NCC(=O)NC(CO)C(O)c1ccc([N+](=O)[O-])cc1","[N-]=[N+]=NCC(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-]"]
[4000,"13838-16-9",{"$nulls":3},"FC(F)OC(F)(F)C(F)Cl","FC(F)OC(F)(F)C(F)Cl",null,"FC(F)OC(F)(F)C(F)Cl","FC(F)OC(F)(F)C(F)Cl",null,"FC(F)OC(F)(F)C(F)Cl","FC(F)OC(F)(F)C(F)Cl"]
[4001,"13952-84-6","CCC(C)N","CCC(C)N",null,"CCC(C)N","CCC(C)N",null,"CCC(C)N","CCC(C)N",null,"CCC(C)N","CCC(C)N"]
[4002,"13964-22-2"]
[4003,"13991-36-1","O=C(O)C=CCBr","O=C(O)C=CCBr",null,"O=C(O)C=CCBr","O=C(O)C=CCBr",null,"O=C(O)C=CCBr","O=C(O)C=CCBr",null,"O=C(O)C=CCBr","O=C(O)C=CCBr"]
[4004,"13993-65-2","CN1c2ccccc2Sc2ccc(CC(=O)O)cc21","CN1c2c(Sc3c1cccc3)ccc(CC(=O)O)c2",null,"CN1c2ccccc2Sc2ccc(CC(=O)O)cc21","CN1c2c(Sc3c1cccc3)ccc(CC(=O)O)c2",null,"CN1c2ccccc2Sc2ccc(CC(=O)O)cc21","CN1c2c(Sc3c1cccc3)ccc(CC(=O)O)c2",null,"CN1c2ccccc2Sc2ccc(CC(=O)O)cc21","CN1c2c(Sc3c1cccc3)ccc(CC(=O)O)c2"]
[4005,"14007-02-4",{"$nulls":3},"CCCCOC(=O)C(O)c1ccccc1","CCCCOC(=O)C(O)c1ccccc1"]
[4006,"14010-10-7","CC=CCC1(CC=CC)C(=O)NC(=O)NC1=O","CC=CCC1(C(NC(NC1=O)=O)=O)CC=CC",null,"CC=CCC1(CC=CC)C(=O)NC(=O)NC1=O","CC=CCC1(C(NC(NC1=O)=O)=O)CC=CC",{"$nulls":4},"CC=CCC1(CC=CC)C(=O)NC(=O)NC1=O","CC=CCC1(C(NC(NC1=O)=O)=O)CC=CC"]
[4007,"14048-58-9",{"$nulls":3},"Cc1oc(C(O)C(O)C(O)CO)cc1C(=O)[O-]","Cc1c(cc(o1)C(O)C(O)C(O)CO)C(=O)O",{"$nulls":4},"Cc1oc(C(O)C(O)C(O)CO)cc1C(=O)O","Cc1c(cc(o1)C(O)C(O)C(O)CO)C(=O)O"]
[4008,"14073-97-3","CC1CCC(C(C)C)C(=O)C1","CC1CC(C(CC1)C(C)C)=O",null,"CC1CCC(C(C)C)C(=O)C1","CC1CC(C(CC1)C(C)C)=O",null,"CC1CCC(C(C)C)C(=O)C1","CC1CC(C(CC1)C(C)C)=O",null,"CC1CCC(C(C)C)C(=O)C1","CC1CC(C(CC1)C(C)C)=O"]
[4009,"14131-04-5","CN(C)c1ncnc2nccnc12","CN(C)c1c2c(ncn1)nccn2",{"$nulls":4},"CN(C)c1ncnc2nccnc12","CN(C)c1c2c(ncn1)nccn2",null,"CN(C)c1ncnc2nccnc12","CN(C)c1c2c(ncn1)nccn2"]
[4010,"14144-33-3","CCOCCC(=O)OC","CCOCCC(=O)OC",{"$nulls":4},"CCOCCC(=O)OC","CCOCCC(=O)OC",null,"CCOCCC(=O)OC","CCOCCC(=O)OC"]
[4011,"14144-35-5","CCCCOC(=O)CCOCC","CCCCOC(=O)CCOCC",null,"CCCCOC(=O)CCOCC","CCCCOC(=O)CCOCC",null,"CCCCOC(=O)CCOCC","CCCCOC(=O)CCOCC",null,"CCCCOC(=O)CCOCC","CCCCOC(=O)CCOCC"]
[4012,"14144-36-6","CCCCCOC(=O)CCOCC","CCCCCOC(=O)CCOCC",null,"CCCCCOC(=O)CCOCC","CCCCCOC(=O)CCOCC",{"$nulls":4},"CCCCCOC(=O)CCOCC","CCCCCOC(=O)CCOCC"]
[4013,"14144-37-7","CCCCCCOC(=O)CCOCC","CCCCCCOC(=O)CCOCC",{"$nulls":4},"CCCCCCOC(=O)CCOCC","CCCCCCOC(=O)CCOCC",null,"CCCCCCOC(=O)CCOCC","CCCCCCOC(=O)CCOCC"]
[4014,"14144-39-9","CCCOCCC(=O)OC","CCCOCCC(=O)OC",{"$nulls":4},"CCCOCCC(=O)OC","CCCOCCC(=O)OC",null,"CCCOCCC(=O)OC","CCCOCCC(=O)OC"]
[4015,"14144-41-3","CCCOCCC(=O)OCCC","CCCOCCC(=O)OCCC",null,"CCCOCCC(=O)OCCC","CCCOCCC(=O)OCCC",null,"CCCOCCC(=O)OCCC","CCCOCCC(=O)OCCC",null,"CCCOCCC(=O)OCCC","CCCOCCC(=O)OCCC"]
[4016,"14144-48-0","CCCCOCCC(=O)OCCCC","CCCCOCCC(=O)OCCCC",null,"CCCCOCCC(=O)OCCCC","CCCCOCCC(=O)OCCCC",null,"CCCCOCCC(=O)OCCCC","CCCCOCCC(=O)OCCCC",null,"CCCCOCCC(=O)OCCCC","CCCCOCCC(=O)OCCCC"]
[4017,"14159-38-7","Clc1ncc2nccnc2n1","Clc1nc2c(cn1)nccn2",{"$nulls":4},"Clc1ncc2nccnc2n1","Clc1nc2c(cn1)nccn2",null,"Clc1ncc2nccnc2n1","Clc1nc2c(cn1)nccn2"]
[4018,"14187-32-7",{"$nulls":3},"c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2","c1cc2c(cc1)OCCOCCOc3c(OCCOCCO2)cccc3",null,"c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2","c1cc2c(cc1)OCCOCCOc3c(OCCOCCO2)cccc3",null,"c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2","c1cc2c(cc1)OCCOCCOc3c(OCCOCCO2)cccc3"]
[4019,"14202-62-1","CCCC(CC)(CC)CO","CCCC(CC)(CC)CO",null,"CCCC(CC)(CC)CO","CCCC(CC)(CC)CO",null,"CCCC(CC)(CC)CO","CCCC(CC)(CC)CO",null,"CCCC(CC)(CC)CO","CCCC(CC)(CC)CO"]
[4020,"14214-32-5","COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1","COc1ccc(cc1)Oc2ccc(cc2)NC(=O)N(C)C",null,"COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1","COc1ccc(cc1)Oc2ccc(cc2)NC(=O)N(C)C",null,"COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1","COc1ccc(cc1)Oc2ccc(cc2)NC(=O)N(C)C",null,"COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1","COc1ccc(cc1)Oc2ccc(cc2)NC(=O)N(C)C"]
[4021,"14255-72-2","CCOP(=S)(OCC)Oc1ccc(S(C)(=O)=O)cc1","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)(=O)=O",null,"CCOP(=S)(OCC)Oc1ccc(S(C)(=O)=O)cc1","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)(=O)=O",null,"CCOP(=S)(OCC)Oc1ccc(S(C)(=O)=O)cc1","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)(=O)=O",null,"CCOP(=S)(OCC)Oc1ccc(S(C)(=O)=O)cc1","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)(=O)=O"]
[4022,"14255-88-0","O=C(Oc1ccccc1)n1c(C(F)(F)F)nc2cc(Cl)c(Cl)cc21","O=C(Oc1ccccc1)n2c3c(nc2C(F)(F)F)cc(Cl)c(Cl)c3",null,"O=C(Oc1ccccc1)n1c(C(F)(F)F)nc2cc(Cl)c(Cl)cc21","O=C(Oc1ccccc1)n2c3c(nc2C(F)(F)F)cc(Cl)c(Cl)c3",null,"O=C(Oc1ccccc1)n1c(C(F)(F)F)nc2cc(Cl)c(Cl)cc21","O=C(Oc1ccccc1)n2c3c(nc2C(F)(F)F)cc(Cl)c(Cl)c3",null,"O=C(Oc1ccccc1)n1c(C(F)(F)F)nc2cc(Cl)c(Cl)cc21","O=C(Oc1ccccc1)n2c3c(nc2C(F)(F)F)cc(Cl)c(Cl)c3"]
[4023,"14293-44-8","Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O","Cc1c(c(ccc1)C)NC(=O)c2c(cc(c(c2)S(N)(=O)=O)Cl)O",null,"Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O","Cc1c(c(ccc1)C)NC(=O)c2c(cc(c(c2)S(N)(=O)=O)Cl)O",null,"Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O","Cc1c(c(ccc1)C)NC(=O)c2c(cc(c(c2)S(N)(=O)=O)Cl)O",null,"Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O","Cc1c(c(ccc1)C)NC(=O)c2c(cc(c(c2)S(N)(=O)=O)Cl)O"]
[4024,"14297-28-0","CC(C)C(N)C(=O)NCC(=O)O","CC(C)C(N)C(=O)NCC(=O)O",{"$nulls":4},"CC(C)C(N)C(O)=NCC(=O)O","CC(C)C(N)C(O)=NCC(=O)O",null,"CC(C)C(N)C(O)=NCC(=O)O","CC(C)C(N)C(O)=NCC(=O)O"]
[4025,"14299-56-0","CCCCC(Br)C(=O)NC(N)=O","CCCCC(Br)C(=O)NC(N)=O"]
[4026,"14305-99-8",{"$nulls":3},"CN1C(=O)C([N+](=O)[O-])C(=O)N(C)C1=O","CN1C(N(C(C(C1=O)[N+](=O)[O-])=O)C)=O",{"$nulls":4},"CN1C(=O)C([N+](=O)[O-])C(=O)N(C)C1=O","CN1C(N(C(C(C1=O)[N+](=O)[O-])=O)C)=O"]
[4027,"14309-40-1","CCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCOC(=O)c1ccc(cc1)N",null,"CCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCOC(=O)c1ccc(cc1)N",null,"CCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCOC(=O)c1ccc(cc1)N",null,"CCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCOC(=O)c1ccc(cc1)N"]
[4028,"14309-41-2","CCCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCCOC(=O)c1ccc(cc1)N",null,"CCCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCCOC(=O)c1ccc(cc1)N",null,"CCCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCCOC(=O)c1ccc(cc1)N",null,"CCCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCCOC(=O)c1ccc(cc1)N"]
[4029,"14334-36-2","CN(C)C(=O)c1cccc(C(=O)N(C)C)c1","CN(C)C(=O)c1cc(ccc1)C(=O)N(C)C",{"$nulls":4},"CN(C)C(=O)c1cccc(C(=O)N(C)C)c1","CN(C)C(=O)c1cc(ccc1)C(=O)N(C)C",null,"CN(C)C(=O)c1cccc(C(=O)N(C)C)c1","CN(C)C(=O)c1cc(ccc1)C(=O)N(C)C"]
[4030,"14337-43-0",{"$nulls":3},"CCOC(=O)C(Cl)=NO","CCOC(=O)C(Cl)=NO"]
[4031,"14362-48-2","O=C(O)CCC[Se][Se]CCCC(=O)O","O=C(O)CCC[Se][Se]CCCC(=O)O",{"$nulls":4},"O=C(O)CCC[Se][Se]CCCC(=O)O","O=C(O)CCC[Se][Se]CCCC(=O)O",null,"O=C(O)CCC[Se][Se]CCCC(=O)O","O=C(O)CCC[Se][Se]CCCC(=O)O"]
[4032,"14415-44-2","Nc1ccc2oc(=O)ccc2c1","Nc1cc2c(cc1)oc(=O)cc2",null,"[NH3+]c1ccc2oc(=O)ccc2c1","Nc1cc2c(cc1)oc(=O)cc2","[Cl-](1)","Nc1ccc2oc(=O)ccc2c1","Nc1cc2c(cc1)oc(=O)cc2",null,"Nc1ccc2oc(=O)ccc2c1","Nc1cc2c(cc1)oc(=O)cc2"]
[4033,"14426-42-7","CCOC(=O)COc1ccc(Cl)cc1","CCOC(=O)COc1ccc(cc1)Cl",null,"CCOC(=O)COc1ccc(Cl)cc1","CCOC(=O)COc1ccc(cc1)Cl",{"$nulls":4},"CCOC(=O)COc1ccc(Cl)cc1","CCOC(=O)COc1ccc(cc1)Cl"]
[4034,"14437-17-3","COC(=O)C(Cl)Cc1ccc(Cl)cc1","COC(=O)C(Cl)Cc1ccc(cc1)Cl",null,"COC(=O)C(Cl)Cc1ccc(Cl)cc1","COC(=O)C(Cl)Cc1ccc(cc1)Cl",{"$nulls":4},"COC(=O)C(Cl)Cc1ccc(Cl)cc1","COC(=O)C(Cl)Cc1ccc(cc1)Cl"]
[4035,"14472-14-1","Cc1cc(O)ccc1Br","Cc1c(ccc(c1)O)Br",null,"Cc1cc(O)ccc1Br","Cc1c(ccc(c1)O)Br",null,"Cc1cc(O)ccc1Br","Cc1c(ccc(c1)O)Br",null,"Cc1cc(O)ccc1Br","Cc1c(ccc(c1)O)Br"]
[4036,"14486-58-9",{"$nulls":3},"O=C1c2cc(S(=O)(=O)O)ccc2C(=O)c2c1cccc2S(=O)(=O)O","O=C1c2c(C(c3c1cc(S(=O)(=O)O)cc3)=O)c(ccc2)S(=O)(=O)O",{"$nulls":4},"O=C1c2cc(S(=O)(=O)O)ccc2C(=O)c2c1cccc2S(=O)(=O)O","O=C1c2c(C(c3c1cc(S(=O)(=O)O)cc3)=O)c(ccc2)S(=O)(=O)O"]
[4037,"14491-59-9","Cc1ccccc1Oc1cccnn1","Cc1c(cccc1)Oc2nnccc2",null,"Cc1ccccc1Oc1cccnn1","Cc1c(cccc1)Oc2nnccc2",null,"Cc1ccccc1Oc1cccnn1","Cc1c(cccc1)Oc2nnccc2",null,"Cc1ccccc1Oc1cccnn1","Cc1c(cccc1)Oc2nnccc2"]
[4038,"14500-23-3","Cn1c(=O)[nH]n(-c2ccccc2)c1=O","Cn1c(n([nH]c1=O)-c2ccccc2)=O",null,"Cn1c(=O)[nH]n(-c2ccccc2)c1=O","Cn1c(n([nH]c1=O)-c2ccccc2)=O",null,"Cn1c(=O)[nH]n(-c2ccccc2)c1=O","Cn1c(n([nH]c1=O)-c2ccccc2)=O",null,"Cn1c(=O)[nH]n(-c2ccccc2)c1=O","Cn1c(n([nH]c1=O)-c2ccccc2)=O"]
[4039,"14520-53-7","C=CCOc1ccccc1C(N)=O","C=CCOc1c(cccc1)C(N)=O",null,"C=CCOc1ccccc1C(N)=O","C=CCOc1c(cccc1)C(N)=O",{"$nulls":4},"C=CCOc1ccccc1C(N)=O","C=CCOc1c(cccc1)C(N)=O"]
[4040,"14686-13-6","CC=CCCCC","CC=CCCCC",null,"CC=CCCCC","CC=CCCCC",null,"CC=CCCCC","CC=CCCCC",null,"CC=CCCCC","CC=CCCCC"]
[4041,"14698-29-4","CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3","CCn1c2c(c(c(c1)C(=O)O)=O)cc3OCOc3c2",null,"CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3","CCn1c2c(c(c(c1)C(=O)O)=O)cc3OCOc3c2",null,"CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3","CCn1c2c(c(c(c1)C(=O)O)=O)cc3OCOc3c2",null,"CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3","CCn1c2c(c(c(c1)C(=O)O)=O)cc3OCOc3c2"]
[4042,"14746-25-9"]
[4043,"14771-77-8","CC(C)C1NC(=O)CNC1=O","CC(C)C1C(NCC(N1)=O)=O",null,"CC(C)C1NC(=O)CNC1=O","CC(C)C1C(NCC(N1)=O)=O"]
[4044,"14816-18-3","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1",null,"CCOP(=S)(OCC)ON=C(C#N)c1ccccc1","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1",null,"CCOP(=S)(OCC)ON=C(C#N)c1ccccc1","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1",null,"CCOP(=S)(OCC)ON=C(C#N)c1ccccc1","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1"]
[4045,"14816-20-7","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1Cl","CCOP(=S)(OCC)ON=C(C#N)c1c(cccc1)Cl",null,"CCOP(=S)(OCC)ON=C(C#N)c1ccccc1Cl","CCOP(=S)(OCC)ON=C(C#N)c1c(cccc1)Cl",null,"CCOP(=S)(OCC)ON=C(C#N)c1ccccc1Cl","CCOP(=S)(OCC)ON=C(C#N)c1c(cccc1)Cl",null,"CCOP(=S)(OCC)ON=C(C#N)c1ccccc1Cl","CCOP(=S)(OCC)ON=C(C#N)c1c(cccc1)Cl"]
[4046,"14862-80-7"]
[4047,"14901-07-6","CC(=O)C=CC1=C(C)CCCC1(C)C","CC(=O)C=CC=1C(CCCC1C)(C)C",null,"CC(=O)C=CC1=C(C)CCCC1(C)C","CC(=O)C=CC=1C(CCCC1C)(C)C",null,"CC(=O)C=CC1=C(C)CCCC1(C)C","CC(=O)C=CC=1C(CCCC1C)(C)C",null,"CC(=O)C=CC1=C(C)CCCC1(C)C","CC(=O)C=CC=1C(CCCC1C)(C)C"]
[4048,"14979-39-6",{"$nulls":3},"CCCC(C)C(O)CC","CCCC(C)C(O)CC",null,"CCCC(C)C(O)CC","CCCC(C)C(O)CC",null,"CCCC(C)C(O)CC","CCCC(C)C(O)CC"]
[4049,"15029-30-8","N#CCC(=O)N1CCCCC1","N#CCC(=O)N1CCCCC1",null,"N#CCC(=O)N1CCCCC1","N#CCC(=O)N1CCCCC1",null,"N#CCC(=O)N1CCCCC1","N#CCC(=O)N1CCCCC1",null,"N#CCC(=O)N1CCCCC1","N#CCC(=O)N1CCCCC1"]
[4050,"15031-07-9","CC1(C)CCC2(CCC(C)(C)O2)O1","CC1(OC2(CC1)OC(CC2)(C)C)C"]
[4051,"15038-67-2","O=S(=O)(c1ccccc1O)c1ccccc1O","O=S(=O)(c1c(cccc1)O)c2c(cccc2)O",null,"O=S(=O)(c1ccccc1O)c1ccccc1O","O=S(=O)(c1c(cccc1)O)c2c(cccc2)O",null,"O=S(=O)(c1ccccc1O)c1ccccc1O","O=S(=O)(c1c(cccc1)O)c2c(cccc2)O",null,"O=S(=O)(c1ccccc1O)c1ccccc1O","O=S(=O)(c1c(cccc1)O)c2c(cccc2)O"]
[4052,"15095-74-6","N#CCCNC(Cc1ccccc1)C(=O)O","N#CCCNC(Cc1ccccc1)C(=O)O",null,"N#CCC[NH2+]C(Cc1ccccc1)C(=O)[O-]","N#CCCNC(Cc1ccccc1)C(=O)O",{"$nulls":4},"N#CCCNC(Cc1ccccc1)C(=O)O","N#CCCNC(Cc1ccccc1)C(=O)O"]
[4053,"15104-61-7","ClC(Cl)C(Cl)C(Cl)Cl","ClC(Cl)C(Cl)C(Cl)Cl",null,"ClC(Cl)C(Cl)C(Cl)Cl","ClC(Cl)C(Cl)C(Cl)Cl",null,"ClC(Cl)C(Cl)C(Cl)Cl","ClC(Cl)C(Cl)C(Cl)Cl",null,"ClC(Cl)C(Cl)C(Cl)Cl","ClC(Cl)C(Cl)C(Cl)Cl"]
[4054,"15106-62-4","NC(Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O",null,"NC(Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O",null,"NC(Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O",null,"NC(Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O"]
[4055,"15119-64-9","O=C(O)CC(O)(CC(=O)O)C(=O)Nc1ccccc1","O=C(O)CC(O)(CC(=O)O)C(=O)Nc1ccccc1",{"$nulls":4},"O=C(O)CC(O)(CC(=O)O)C(O)=Nc1ccccc1","O=C(O)CC(O)(CC(=O)O)C(O)=Nc1ccccc1",null,"O=C(O)CC(O)(CC(=O)O)C(O)=Nc1ccccc1","O=C(O)CC(O)(CC(=O)O)C(O)=Nc1ccccc1"]
[4056,"15126-06-4","COC(=O)c1ccc(O)c(I)c1","COC(=O)c1cc(c(cc1)O)I",{"$nulls":4},"COC(=O)c1ccc(O)c(I)c1","COC(=O)c1cc(c(cc1)O)I",null,"COC(=O)c1ccc(O)c(I)c1","COC(=O)c1cc(c(cc1)O)I"]
[4057,"15126-07-5","CCOC(=O)c1ccc(O)c(I)c1","CCOC(=O)c1cc(c(cc1)O)I",{"$nulls":4},"CCOC(=O)c1ccc(O)c(I)c1","CCOC(=O)c1cc(c(cc1)O)I",null,"CCOC(=O)c1ccc(O)c(I)c1","CCOC(=O)c1cc(c(cc1)O)I"]
[4058,"15126-08-6","CCCOC(=O)c1ccc(O)c(I)c1","CCCOC(=O)c1cc(c(cc1)O)I",{"$nulls":4},"CCCOC(=O)c1ccc(O)c(I)c1","CCCOC(=O)c1cc(c(cc1)O)I"]
[4059,"15126-09-7","CCCCOC(=O)c1ccc(O)c(I)c1","CCCCOC(=O)c1cc(c(cc1)O)I",{"$nulls":4},"CCCCOC(=O)c1ccc(O)c(I)c1","CCCCOC(=O)c1cc(c(cc1)O)I",null,"CCCCOC(=O)c1ccc(O)c(I)c1","CCCCOC(=O)c1cc(c(cc1)O)I"]
[4060,"15165-67-0","CC(Oc1ccc(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O",null,"CC(Oc1ccc(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O",null,"CC(Oc1ccc(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O",null,"CC(Oc1ccc(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O"]
[4061,"15258-73-8","OCc1c(Cl)cccc1Cl","OCc1c(cccc1Cl)Cl",null,"OCc1c(Cl)cccc1Cl","OCc1c(cccc1Cl)Cl",null,"OCc1c(Cl)cccc1Cl","OCc1c(cccc1Cl)Cl",null,"OCc1c(Cl)cccc1Cl","OCc1c(cccc1Cl)Cl"]
[4062,"15271-41-7","CNC(=O)ON=C1C(Cl)C2CC(C#N)C1C2","CNC(=O)ON=C1C2C(CC(C1Cl)C2)C#N",null,"CNC(=O)ON=C1C(Cl)C2CC(C#N)C1C2","CNC(=O)ON=C1C2C(CC(C1Cl)C2)C#N",null,"CNC(=O)ON=C1C(Cl)C2CC(C#N)C1C2","CNC(=O)ON=C1C2C(CC(C1Cl)C2)C#N",null,"CNC(=O)ON=C1C(Cl)C2CC(C#N)C1C2","CNC(=O)ON=C1C2C(CC(C1Cl)C2)C#N"]
[4063,"15299-99-7","CCN(CC)C(=O)C(C)Oc1cccc2ccccc12","CCN(CC)C(=O)C(C)Oc1c2c(ccc1)cccc2",null,"CCN(CC)C(=O)C(C)Oc1cccc2ccccc12","CCN(CC)C(=O)C(C)Oc1c2c(ccc1)cccc2",null,"CCN(CC)C(=O)C(C)Oc1cccc2ccccc12","CCN(CC)C(=O)C(C)Oc1c2c(ccc1)cccc2",null,"CCN(CC)C(=O)C(C)Oc1cccc2ccccc12","CCN(CC)C(=O)C(C)Oc1c2c(ccc1)cccc2"]
[4064,"15301-69-6","Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O","Cc1c(c2c(oc1-c3ccccc3)c(C(=O)OCCN4CCCCC4)ccc2)=O",null,"Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O","Cc1c(c2c(oc1-c3ccccc3)c(C(=O)OCCN4CCCCC4)ccc2)=O",null,"Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O","Cc1c(c2c(oc1-c3ccccc3)c(C(=O)OCCN4CCCCC4)ccc2)=O",null,"Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O","Cc1c(c2c(oc1-c3ccccc3)c(C(=O)OCCN4CCCCC4)ccc2)=O"]
[4065,"15307-86-5","O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl","O=C(O)Cc1c(cccc1)Nc2c(cccc2Cl)Cl",null,"O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl","O=C(O)Cc1c(cccc1)Nc2c(cccc2Cl)Cl",null,"O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl","O=C(O)Cc1c(cccc1)Nc2c(cccc2Cl)Cl",null,"O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl","O=C(O)Cc1c(cccc1)Nc2c(cccc2Cl)Cl"]
[4066,"15310-01-7",{"$nulls":3},"O=C(Nc1ccccc1)c1ccccc1I","O=C(Nc1ccccc1)c2c(cccc2)I",{"$nulls":4},"O=C(Nc1ccccc1)c1ccccc1I","O=C(Nc1ccccc1)c2c(cccc2)I"]
[4067,"15322-68-6","CCC(=O)NC(=O)CCl","CCC(=O)NC(=O)CCl"]
[4068,"15341-08-9","O=[N+]([O-])c1cc2c(cc1CO)OCO2","O=[N+]([O-])c1c(cc2c(c1)OCO2)CO",null,"O=[N+]([O-])c1ccc2c(c1CO)OCO2","O=[N+]([O-])c1c(c2c(cc1)OCO2)CO"]
[4069,"15397-07-6"]
[4070,"15420-54-9",{"$nulls":3},"Cc1nc(C)c(C(=O)NN)cc1C(=O)NN","Cc1c(cc(c(n1)C)C(=O)NN)C(=O)NN",{"$nulls":4},"Cc1nc(C)c(C(=O)NN)cc1C(=O)NN","Cc1c(cc(c(n1)C)C(=O)NN)C(=O)NN"]
[4071,"15446-25-0"]
[4072,"15457-05-3","O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)C(F)(F)F)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)C(F)(F)F)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)C(F)(F)F)[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)C(F)(F)F)[N+](=O)[O-]"]
[4073,"15545-48-9","Cc1ccc(NC(=O)N(C)C)cc1Cl","Cc1c(cc(cc1)NC(=O)N(C)C)Cl",null,"Cc1ccc(NC(=O)N(C)C)cc1Cl","Cc1c(cc(cc1)NC(=O)N(C)C)Cl",null,"Cc1ccc(NC(=O)N(C)C)cc1Cl","Cc1c(cc(cc1)NC(=O)N(C)C)Cl",null,"Cc1ccc(NC(=O)N(C)C)cc1Cl","Cc1c(cc(cc1)NC(=O)N(C)C)Cl"]
[4074,"15599-39-0","CNS#CNCO","CNS#CNCO",null,"CNS#CNCO","CNS#CNCO",{"$nulls":4},"CNS#CNCO","CNS#CNCO"]
[4075,"15657-96-2","CC(=O)OC(C)C#N","CC(=O)OC(C)C#N",null,"CC(=O)OC(C)C#N","CC(=O)OC(C)C#N",null,"CC(=O)OC(C)C#N","CC(=O)OC(C)C#N",null,"CC(=O)OC(C)C#N","CC(=O)OC(C)C#N"]
[4076,"15663-27-1","[Pt+2]","[Pt+2]","[Cl-](2), N(2)",{"$nulls":3},"N[Pt](N)(Cl)Cl","N[Pt](N)(Cl)Cl",null,"N[Pt](N)(Cl)Cl","N[Pt](N)(Cl)Cl"]
[4077,"15687-27-1","CC(C)Cc1ccc(C(C)C(=O)O)cc1","CC(C)Cc1ccc(cc1)C(C)C(=O)O",null,"CC(C)Cc1ccc(C(C)C(=O)O)cc1","CC(C)Cc1ccc(cc1)C(C)C(=O)O",null,"CC(C)Cc1ccc(C(C)C(=O)O)cc1","CC(C)Cc1ccc(cc1)C(C)C(=O)O",null,"CC(C)Cc1ccc(C(C)C(=O)O)cc1","CC(C)Cc1ccc(cc1)C(C)C(=O)O"]
[4078,"15804-19-0",{"$nulls":3},"O=c1[nH]c2ccccc2[nH]c1=O","O=c1c([nH]c2c([nH]1)cccc2)=O",{"$nulls":4},"Oc1nc2ccccc2nc1O","Oc1c(nc2c(n1)cccc2)O"]
[4079,"15862-07-4","Clc1cc(Cl)c(-c2ccccc2)cc1Cl","Clc1c(cc(c(c1)Cl)-c2ccccc2)Cl",null,"Clc1cc(Cl)c(-c2ccccc2)cc1Cl","Clc1c(cc(c(c1)Cl)-c2ccccc2)Cl",null,"Clc1cc(Cl)c(-c2ccccc2)cc1Cl","Clc1c(cc(c(c1)Cl)-c2ccccc2)Cl",null,"Clc1cc(Cl)c(-c2ccccc2)cc1Cl","Clc1c(cc(c(c1)Cl)-c2ccccc2)Cl"]
[4080,"15869-95-1","CCCCC(C)(C)CCC","CCCCC(C)(C)CCC",null,"CCCCC(C)(C)CCC","CCCCC(C)(C)CCC",null,"CCCCC(C)(C)CCC","CCCCC(C)(C)CCC",null,"CCCCC(C)(C)CCC","CCCCC(C)(C)CCC"]
[4081,"15879-93-3","OCC(O)C1OC2OC(C(Cl)(Cl)Cl)OC2C1O","OCC(O)C1C(C2C(O1)OC(C(Cl)(Cl)Cl)O2)O",null,"OCC(O)C1OC2OC(C(Cl)(Cl)Cl)OC2C1O","OCC(O)C1C(C2C(O1)OC(C(Cl)(Cl)Cl)O2)O",null,"OCC(O)C1OC2OC(C(Cl)(Cl)Cl)OC2C1O","OCC(O)C1C(C2C(O1)OC(C(Cl)(Cl)Cl)O2)O",null,"OCC(O)C1OC2OC(C(Cl)(Cl)Cl)OC2C1O","OCC(O)C1C(C2C(O1)OC(C(Cl)(Cl)Cl)O2)O"]
[4082,"15892-23-6",{"$nulls":3},"CCC(C)O","CCC(C)O",null,"CCC(C)O","CCC(C)O",null,"CCC(C)O","CCC(C)O"]
[4083,"15909-67-8","CCOC(=O)C(O)C(O)C(O)C(O)C(=O)OCC","CCOC(=O)C(O)C(O)C(O)C(O)C(=O)OCC"]
[4084,"15968-05-5","Clc1cccc(Cl)c1-c1c(Cl)cccc1Cl","Clc1c(c(ccc1)Cl)-c2c(cccc2Cl)Cl",null,"Clc1cccc(Cl)c1-c1c(Cl)cccc1Cl","Clc1c(c(ccc1)Cl)-c2c(cccc2Cl)Cl",null,"Clc1cccc(Cl)c1-c1c(Cl)cccc1Cl","Clc1c(c(ccc1)Cl)-c2c(cccc2Cl)Cl",null,"Clc1cccc(Cl)c1-c1c(Cl)cccc1Cl","Clc1c(c(ccc1)Cl)-c2c(cccc2Cl)Cl"]
[4085,"15972-60-8","CCc1cccc(CC)c1N(COC)C(=O)CCl","CCc1c(c(ccc1)CC)N(COC)C(=O)CCl",null,"CCc1cccc(CC)c1N(COC)C(=O)CCl","CCc1c(c(ccc1)CC)N(COC)C(=O)CCl",null,"CCc1cccc(CC)c1N(COC)C(=O)CCl","CCc1c(c(ccc1)CC)N(COC)C(=O)CCl",null,"CCc1cccc(CC)c1N(COC)C(=O)CCl","CCc1c(c(ccc1)CC)N(COC)C(=O)CCl"]
[4086,"15996-17-5"]
[4087,"16002-32-7","O=C(O)CSSSSCC(=O)O","O=C(O)CSSSSCC(=O)O",null,"O=C(O)CSSSSCC(=O)O","O=C(O)CSSSSCC(=O)O",{"$nulls":4},"O=C(O)CSSSSCC(=O)O","O=C(O)CSSSSCC(=O)O"]
[4088,"16006-08-9","CCCCOCCO","CCCCOCCO","NC(O)=O(1)","CCCCOCCOC(N)=O","CCCCOCCOC(N)=O",null,"CCCCOCCOC(N)=O","CCCCOCCOC(N)=O",null,"CCCCOCCOC(N)=O","CCCCOCCOC(N)=O"]
[4089,"16022-69-8","OC(Cl)(Cl)c1ccc(Cl)c(Cl)c1Cl","OC(Cl)(Cl)c1c(c(c(cc1)Cl)Cl)Cl",null,"OCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","OCc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},"OCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","OCc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl"]
[4090,"16034-77-8","CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I","CC(=O)N(CC(C)C(=O)O)c1c(c(c(cc1I)I)N)I",null,"CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I","CC(=O)N(CC(C)C(=O)O)c1c(c(c(cc1I)I)N)I",null,"CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I","CC(=O)N(CC(C)C(=O)O)c1c(c(c(cc1I)I)N)I",null,"CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I","CC(=O)N(CC(C)C(=O)O)c1c(c(c(cc1I)I)N)I"]
[4091,"16039-53-5","CC(O)C(=O)[O-]","CC(O)C(=O)O","CC(O)C([O-])=O(1), [Zn+2](1)"]
[4092,"16045-92-4","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O",null,"O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O",null,"O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O",null,"O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O"]
[4093,"16118-49-3","CCNC(=O)C(C)OC(=O)Nc1ccccc1","CCNC(=O)C(C)OC(=O)Nc1ccccc1",null,"CCNC(=O)C(C)OC(=O)Nc1ccccc1","CCNC(=O)C(C)OC(=O)Nc1ccccc1",null,"CCNC(=O)C(C)OC(=O)Nc1ccccc1","CCNC(=O)C(C)OC(=O)Nc1ccccc1",null,"CCNC(=O)C(C)OC(=O)Nc1ccccc1","CCNC(=O)C(C)OC(=O)Nc1ccccc1"]
[4094,"16165-66-5","CCCCCCP(=O)(OCC)OCC","CCCCCCP(=O)(OCC)OCC",null,"CCCCCCP(=O)(OCC)OCC","CCCCCCP(=O)(OCC)OCC",{"$nulls":4},"CCCCCCP(=O)(OCC)OCC","CCCCCCP(=O)(OCC)OCC"]
[4095,"16173-26-5","Oc1cc2ccccc2cc1C1=NCCN1","Oc1c(cc2c(c1)cccc2)C=3NCCN3",{"$nulls":4},"Oc1cc2ccccc2cc1C1=NCCN1","Oc1c(cc2c(c1)cccc2)C=3NCCN3",null,"Oc1cc2ccccc2cc1C1=NCCN1","Oc1c(cc2c(c1)cccc2)C=3NCCN3"]
[4096,"16188-57-1","Cc1ccc(O)c(I)c1","Cc1cc(c(cc1)O)I",{"$nulls":4},"Cc1ccc(O)c(I)c1","Cc1cc(c(cc1)O)I",null,"Cc1ccc(O)c(I)c1","Cc1cc(c(cc1)O)I"]
[4097,"16189-10-9","CC(=O)Oc1ccccc1C=CC(=O)O","CC(=O)Oc1c(cccc1)C=CC(=O)O",{"$nulls":4},"CC(=O)Oc1ccccc1C=CC(=O)O","CC(=O)Oc1c(cccc1)C=CC(=O)O",null,"CC(=O)Oc1ccccc1C=CC(=O)O","CC(=O)Oc1c(cccc1)C=CC(=O)O"]
[4098,"16219-75-3","CC=C1CC2C=CC1C2","CC=C1C2C=CC(C1)C2",null,"CC=C1CC2C=CC1C2","CC=C1C2C=CC(C1)C2",null,"CC=C1CC2C=CC1C2","CC=C1C2C=CC(C1)C2",null,"CC=C1CC2C=CC1C2","CC=C1C2C=CC(C1)C2"]
[4099,"16268-25-0"]
[4100,"16357-41-8","CCOC(=O)c1ccc(O)c(Cl)c1","CCOC(=O)c1cc(c(cc1)O)Cl",{"$nulls":4},"CCOC(=O)c1ccc(O)c(Cl)c1","CCOC(=O)c1cc(c(cc1)O)Cl",null,"CCOC(=O)c1ccc(O)c(Cl)c1","CCOC(=O)c1cc(c(cc1)O)Cl"]
[4101,"16364-31-1","CC(C)CC(N)C(=O)NC(CCC(=O)O)C(=O)O","CC(C)CC(N)C(=O)NC(CCC(=O)O)C(=O)O",{"$nulls":4},"CC(C)CC(N)C(O)=NC(CCC(=O)O)C(=O)O","CC(C)CC(N)C(O)=NC(CCC(=O)O)C(=O)O",null,"CC(C)CC(N)C(O)=NC(CCC(=O)O)C(=O)O","CC(C)CC(N)C(O)=NC(CCC(=O)O)C(=O)O"]
[4102,"16395-81-6","CCCC(=O)N(C)N=O","CCCC(=O)N(C)N=O",null,"CCCC(=O)N(C)N=O","CCCC(=O)N(C)N=O",{"$nulls":4},"CCCC(=O)N(C)N=O","CCCC(=O)N(C)N=O"]
[4103,"16484-77-8","Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",null,"Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",null,"Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",null,"Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O"]
[4104,"16490-68-9","C=C(Cl)C(N)=O","C=C(Cl)C(N)=O",null,"C=C(Cl)C(N)=O","C=C(Cl)C(N)=O",null,"C=C(Cl)C(N)=O","C=C(Cl)C(N)=O",null,"C=C(Cl)C(N)=O","C=C(Cl)C(N)=O"]
[4105,"16545-67-8","C=COC1CC1","C=COC1CC1",null,"C=COC1CC1","C=COC1CC1",null,"C=COC1CC1","C=COC1CC1",null,"C=COC1CC1","C=COC1CC1"]
[4106,"16605-91-7","Clc1cccc(-c2ccccc2)c1Cl","Clc1c(c(ccc1)-c2ccccc2)Cl",null,"Clc1cccc(-c2ccccc2)c1Cl","Clc1c(c(ccc1)-c2ccccc2)Cl",null,"Clc1cccc(-c2ccccc2)c1Cl","Clc1c(c(ccc1)-c2ccccc2)Cl",null,"Clc1cccc(-c2ccccc2)c1Cl","Clc1c(c(ccc1)-c2ccccc2)Cl"]
[4107,"16606-02-3","Clc1ccc(-c2cc(Cl)ccc2Cl)cc1","Clc1ccc(cc1)-c2c(ccc(c2)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)ccc2Cl)cc1","Clc1ccc(cc1)-c2c(ccc(c2)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)ccc2Cl)cc1","Clc1ccc(cc1)-c2c(ccc(c2)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)ccc2Cl)cc1","Clc1ccc(cc1)-c2c(ccc(c2)Cl)Cl"]
[4108,"16631-06-4",{"$nulls":6},"C=CCC(C(=O)O)C(C)C(=O)O","C=CCC(C(=O)O)C(C)C(=O)O",null,"C=CCC(C(=O)O)C(C)C(=O)O","C=CCC(C(=O)O)C(C)C(=O)O"]
[4109,"16672-87-0","O=P(O)(O)CCCl","O=P(O)(O)CCCl",null,"O=P(O)(O)CCCl","O=P(O)(O)CCCl",null,"O=P(O)(O)CCCl","O=P(O)(O)CCCl",null,"O=P(O)(O)CCCl","O=P(O)(O)CCCl"]
[4110,"16705-27-4","CC1(CCN2CCCCC2)NC(=O)NC1=O","CC1(C(NC(N1)=O)=O)CCN2CCCCC2",{"$nulls":4},"CC1(CCN2CCCCC2)N=C(O)N=C1O","CC1(C(=NC(=N1)O)O)CCN2CCCCC2",null,"CC1(CCN2CCCCC2)N=C(O)N=C1O","CC1(C(=NC(=N1)O)O)CCN2CCCCC2"]
[4111,"16713-80-7",{"$nulls":3},"CC(=O)OC1C(C2COC(C)(C)O2)OC2OC(C)(C)OC21","CC(=O)OC1C2C(OC1C3OC(OC3)(C)C)OC(C)(C)O2"]
[4112,"16718-61-9"]
[4113,"16733-90-7","NNC(=O)c1nccs1","NNC(=O)c1sccn1",{"$nulls":4},"NNC(=O)c1nccs1","NNC(=O)c1sccn1",null,"NNC(=O)c1nccs1","NNC(=O)c1sccn1"]
[4114,"16752-77-5","CNC(=O)ON=C(C)SC","CNC(=O)ON=C(C)SC",null,"CNC(=O)ON=C(C)SC","CNC(=O)ON=C(C)SC",null,"CNC(=O)ON=C(C)SC","CNC(=O)ON=C(C)SC"]
[4115,"16766-29-3","COc1cc(Cl)c(Cl)c(Cl)c1OC","COc1c(c(c(c(c1)Cl)Cl)Cl)OC",null,"COc1cc(Cl)c(Cl)c(Cl)c1OC","COc1c(c(c(c(c1)Cl)Cl)Cl)OC",null,"COc1cc(Cl)c(Cl)c(Cl)c1OC","COc1c(c(c(c(c1)Cl)Cl)Cl)OC",null,"COc1cc(Cl)c(Cl)c(Cl)c1OC","COc1c(c(c(c(c1)Cl)Cl)Cl)OC"]
[4116,"16766-30-6","COc1ccc(Cl)cc1O","COc1c(cc(cc1)Cl)O",null,"COc1cc(Cl)ccc1O","COc1c(ccc(c1)Cl)O",{"$nulls":4},"COc1cc(Cl)ccc1O","COc1c(ccc(c1)Cl)O"]
[4117,"16805-99-5"]
[4118,"16806-00-1","Nc1ccc(S(=O)(=O)Nc2nccc(N)n2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nc(ccn2)N"]
[4119,"16806-29-4",{"$nulls":3},"Nc1ccc(S(=O)(=O)Nc2nncs2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2scnn2",{"$nulls":4},"Nc1ccc(S(=O)(=O)Nc2nncs2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2scnn2"]
[4120,"16807-50-4",{"$nulls":3},"CCOC(=O)CC1(C)CCC(=O)O1","CCOC(=O)CC1(OC(CC1)=O)C"]
[4121,"16827-45-5","CCC(C(=O)O)C(C(=O)O)c1ccccc1","CCC(C(=O)O)C(C(=O)O)c1ccccc1",{"$nulls":4},"CCC(C(=O)O)C(C(=O)O)c1ccccc1","CCC(C(=O)O)C(C(=O)O)c1ccccc1",null,"CCC(C(=O)O)C(C(=O)O)c1ccccc1","CCC(C(=O)O)C(C(=O)O)c1ccccc1"]
[4122,"16840-28-1"]
[4123,"16845-41-3","O=C(c1ccc(Cl)cc1Cl)N(O)c1ccccc1","O=C(c1c(cc(cc1)Cl)Cl)N(O)c2ccccc2",{"$nulls":4},"O=C(c1ccc(Cl)cc1Cl)N(O)c1ccccc1","O=C(c1c(cc(cc1)Cl)Cl)N(O)c2ccccc2",null,"O=C(c1ccc(Cl)cc1Cl)N(O)c1ccccc1","O=C(c1c(cc(cc1)Cl)Cl)N(O)c2ccccc2"]
[4124,"16851-69-7","CC(=O)N(CC(=O)O)c1ccccc1C(=O)O","CC(=O)N(CC(=O)O)c1c(cccc1)C(=O)O",null,"COC(=O)N(C(C)=O)c1ccccc1C(=O)O","COC(=O)N(C(C)=O)c1c(cccc1)C(=O)O"]
[4125,"16878-77-6","CSc1ncc2nccnc2n1","CSc1nc2c(cn1)nccn2",{"$nulls":4},"CSc1ncc2nccnc2n1","CSc1nc2c(cn1)nccn2",null,"CSc1ncc2nccnc2n1","CSc1nc2c(cn1)nccn2"]
[4126,"16952-71-9","CC(C)C1(Br)C(=O)NC(=O)NC1=O","CC(C)C1(C(NC(NC1=O)=O)=O)Br",null,"CC(C)C1(Br)C(=O)NC(=O)NC1=O","CC(C)C1(C(NC(NC1=O)=O)=O)Br",{"$nulls":4},"CC(C)C1(Br)C(=O)NC(=O)NC1=O","CC(C)C1(C(NC(NC1=O)=O)=O)Br"]
[4127,"16993-45-6","NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1","NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O",{"$nulls":4},"NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1","NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O",null,"NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1","NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O"]
[4128,"17013-41-1",{"$nulls":3},"CCCCC1(CCCC)C(=O)NC(=O)NC1=O","CCCCC1(C(NC(NC1=O)=O)=O)CCCC",{"$nulls":4},"CCCCC1(CCCC)C(=O)NC(=O)NC1=O","CCCCC1(C(NC(NC1=O)=O)=O)CCCC"]
[4129,"17013-42-2",{"$nulls":3},"CCCC1(CCC(C)C)C(=O)NC(=O)NC1=O","CCCC1(C(NC(NC1=O)=O)=O)CCC(C)C",{"$nulls":4},"CCCC1(CCC(C)C)C(=O)NC(=O)NC1=O","CCCC1(C(NC(NC1=O)=O)=O)CCC(C)C"]
[4130,"17056-95-0","Oc1cccc2ccnnc12","Oc1c2c(ccc1)ccnn2",{"$nulls":4},"Oc1cccc2ccnnc12","Oc1c2c(ccc1)ccnn2",null,"Oc1cccc2ccnnc12","Oc1c2c(ccc1)ccnn2"]
[4131,"17056-96-1","Cc1cnnc2c(O)cccc12","Cc1c2c(nnc1)c(O)ccc2",{"$nulls":4},"Cc1cnnc2c(O)cccc12","Cc1c2c(nnc1)c(O)ccc2",null,"Cc1cnnc2c(O)cccc12","Cc1c2c(nnc1)c(O)ccc2"]
[4132,"17056-99-4","Oc1cccc2nccnc12","Oc1c2c(ccc1)nccn2",{"$nulls":7},"O=c1cccc2[nH]ccnc1-2","O=c1c2-c(ccc1)[nH]ccn2"]
[4133,"17057-00-0","Oc1cncc2cccnc12","Oc1c2c(cnc1)cccn2",{"$nulls":4},"Oc1cncc2cccnc12","Oc1c2c(cnc1)cccn2",null,"Oc1cncc2cccnc12","Oc1c2c(cnc1)cccn2"]
[4134,"17073-27-7"]
[4135,"17103-43-4"]
[4136,"17103-45-6"]
[4137,"17103-46-7","Nc1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2[nH]ccn2",{"$nulls":4},"Nc1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2[nH]ccn2",null,"Nc1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2[nH]ccn2"]
[4138,"17103-48-9","Nc1ccc(S(=O)(=O)Nc2cncnc2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2cncnc2"]
[4139,"17103-49-0"]
[4140,"17103-51-4","Nc1ccc(S(=O)(=O)Nc2ncco2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2occn2",{"$nulls":4},"Nc1ccc(S(=O)(=O)Nc2ncco2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2occn2",null,"Nc1ccc(S(=O)(=O)Nc2ncco2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2occn2"]
[4141,"17103-52-5"]
[4142,"17103-53-6","Cc1nonc1NS(=O)(=O)c1ccc(N)cc1","Cc1c(non1)NS(=O)(=O)c2ccc(cc2)N"]
[4143,"17109-49-8","CCOP(=O)(Sc1ccccc1)Sc1ccccc1","CCOP(=O)(Sc1ccccc1)Sc2ccccc2",null,"CCOP(=O)(Sc1ccccc1)Sc1ccccc1","CCOP(=O)(Sc1ccccc1)Sc2ccccc2",null,"CCOP(=O)(Sc1ccccc1)Sc1ccccc1","CCOP(=O)(Sc1ccccc1)Sc2ccccc2",null,"CCOP(=O)(Sc1ccccc1)Sc1ccccc1","CCOP(=O)(Sc1ccccc1)Sc2ccccc2"]
[4144,"17153-21-8","Cc1noc(-c2ccccc2)c1C(=O)O","Cc1c(c(on1)-c2ccccc2)C(=O)O",{"$nulls":4},"Cc1noc(-c2ccccc2)c1C(=O)O","Cc1c(c(on1)-c2ccccc2)C(=O)O",null,"Cc1noc(-c2ccccc2)c1C(=O)O","Cc1c(c(on1)-c2ccccc2)C(=O)O"]
[4145,"17186-15-1","NC(=O)NCC(=O)NCC(=O)NCC(=O)O","NC(=O)NCC(=O)NCC(=O)NCC(=O)O",{"$nulls":4},"N=C(O)NCC(O)=NCC(O)=NCC(=O)O","N=C(O)NCC(O)=NCC(O)=NCC(=O)O",null,"N=C(O)NCC(O)=NCC(O)=NCC(=O)O","N=C(O)NCC(O)=NCC(O)=NCC(=O)O"]
[4146,"17199-14-3","CCNC(CC)C(=O)O","CCNC(CC)C(=O)O",{"$nulls":4},"CCNC(CC)C(=O)O","CCNC(CC)C(=O)O",null,"CCNC(CC)C(=O)O","CCNC(CC)C(=O)O"]
[4147,"17199-29-0","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",null,"O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1"]
[4148,"17245-63-5"]
[4149,"17303-54-7","NC(=O)NCC(=O)NCC(=O)O","NC(=O)NCC(=O)NCC(=O)O",{"$nulls":7},"NC(=O)NCC(=O)NCC(=O)O","NC(=O)NCC(=O)NCC(=O)O"]
[4150,"17343-27-0","CCCCC(NC)C(=O)O","CCCCC(NC)C(=O)O",{"$nulls":7},"CCCCC(NC)C(=O)O","CCCCC(NC)C(=O)O"]
[4151,"17348-59-3","CC(C)OC(C)(C)C","CC(C)OC(C)(C)C",null,"CC(C)OC(C)(C)C","CC(C)OC(C)(C)C",null,"CC(C)OC(C)(C)C","CC(C)OC(C)(C)C",null,"CC(C)OC(C)(C)C","CC(C)OC(C)(C)C"]
[4152,"17360-11-1","NC(Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(=O)O","NC(Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O",null,"NC(Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(=O)O","NC(Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O",null,"NC(Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(=O)O","NC(Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O",null,"NC(Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(=O)O","NC(Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O"]
[4153,"17364-00-0",{"$nulls":6},"CCCC(=O)OCC(O)COC(=O)CCC","CCCC(=O)OCC(O)COC(=O)CCC"]
[4154,"17368-73-9","CC(=O)NC(=O)CCl","CC(=O)NC(=O)CCl",null,"CC(=O)NC(=O)CCl","CC(=O)NC(=O)CCl",null,"CC(=O)NC(=O)CCl","CC(=O)NC(=O)CCl",null,"CC(=O)NC(=O)CCl","CC(=O)NC(=O)CCl"]
[4155,"17433-87-3","CC(C)=NNC(=O)Nc1ccc([N+](=O)[O-])cc1","CC(C)=NNC(=O)Nc1ccc(cc1)[N+](=O)[O-]"]
[4156,"17445-86-2","COc1c(C(=O)O)cc(C(=O)O)cc1C(=O)O","COc1c(cc(cc1C(=O)O)C(=O)O)C(=O)O",{"$nulls":4},"COc1c(C(=O)O)cc(C(=O)O)cc1C(=O)O","COc1c(cc(cc1C(=O)O)C(=O)O)C(=O)O",null,"COc1c(C(=O)O)cc(C(=O)O)cc1C(=O)O","COc1c(cc(cc1C(=O)O)C(=O)O)C(=O)O"]
[4157,"17475-41-1","CCC1OC(=O)c2ccccc21","CCC1c2c(C(O1)=O)cccc2",{"$nulls":4},"CCC1OC(=O)c2ccccc21","CCC1c2c(C(O1)=O)cccc2",null,"CCC1OC(=O)c2ccccc21","CCC1c2c(C(O1)=O)cccc2"]
[4158,"17560-51-9","Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C","Cc1c(cccc1)N2C(Nc3c(C2=O)cc(S(N)(=O)=O)c(Cl)c3)C",null,"Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C","Cc1c(cccc1)N2C(Nc3c(C2=O)cc(S(N)(=O)=O)c(Cl)c3)C",null,"Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C","Cc1c(cccc1)N2C(Nc3c(C2=O)cc(S(N)(=O)=O)c(Cl)c3)C",null,"Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C","Cc1c(cccc1)N2C(Nc3c(C2=O)cc(S(N)(=O)=O)c(Cl)c3)C"]
[4159,"17584-12-2","Cc1nnc(N)nc1C","Cc1c(nc(nn1)N)C",null,"Cc1nnc(N)nc1C","Cc1c(nc(nn1)N)C",null,"Cc1nnc(N)nc1C","Cc1c(nc(nn1)N)C",null,"Cc1nnc(N)nc1C","Cc1c(nc(nn1)N)C"]
[4160,"17584-90-6","Cc1oc2ccccc2c(=O)c1C","Cc1c(c(c2c(o1)cccc2)=O)C",{"$nulls":4},"Cc1oc2ccccc2c(=O)c1C","Cc1c(c(c2c(o1)cccc2)=O)C",null,"Cc1oc2ccccc2c(=O)c1C","Cc1c(c(c2c(o1)cccc2)=O)C"]
[4161,"17606-31-4","CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1","CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c2ccccc2",null,"CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1","CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c2ccccc2",null,"CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1","CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c2ccccc2",null,"CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1","CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c2ccccc2"]
[4162,"17611-82-4","CCC(C#N)CC#N","CCC(C#N)CC#N",null,"CCC(C#N)CC#N","CCC(C#N)CC#N",null,"CCC(C#N)CC#N","CCC(C#N)CC#N",null,"CCC(C#N)CC#N","CCC(C#N)CC#N"]
[4163,"17615-73-5",{"$nulls":3},"Nc1ccc(S(=O)(=O)c2ccc(N)cc2S(N)(=O)=O)cc1","Nc1ccc(cc1)S(=O)(=O)c2c(cc(cc2)N)S(N)(=O)=O",{"$nulls":4},"Nc1ccc(S(=O)(=O)c2ccc(N)cc2S(N)(=O)=O)cc1","Nc1ccc(cc1)S(=O)(=O)c2c(cc(cc2)N)S(N)(=O)=O"]
[4164,"17650-86-1","CC1OC(n2ccc(NC(=O)c3ccc(NC(=O)C(C)(N)CO)cc3)nc2=O)CCC1OC1OC(C)C(N(C)C)C(O)C1O","CC1C(CCC(O1)n2c(nc(cc2)NC(=O)c3ccc(cc3)NC(=O)C(C)(N)CO)=O)OC4C(C(C(C(O4)C)N(C)C)O)O",null,"CC1OC(n2ccc(NC(=O)c3ccc(NC(=O)C(C)(N)CO)cc3)nc2=O)CCC1OC1OC(C)C(N(C)C)C(O)C1O","CC1C(CCC(O1)n2c(nc(cc2)NC(=O)c3ccc(cc3)NC(=O)C(C)(N)CO)=O)OC4C(C(C(C(O4)C)N(C)C)O)O"]
[4165,"17689-42-8",{"$nulls":3},"O=C(O)c1ccccc1C(=O)OCCO","O=C(O)c1c(cccc1)C(=O)OCCO"]
[4166,"17694-78-9"]
[4167,"17700-09-3","O=[N+]([O-])c1ccc(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(cc1)Cl)Cl)Cl",null,"O=[N+]([O-])c1ccc(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(cc1)Cl)Cl)Cl",null,"O=[N+]([O-])c1ccc(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(cc1)Cl)Cl)Cl",null,"O=[N+]([O-])c1ccc(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(cc1)Cl)Cl)Cl"]
[4168,"17722-12-2","N#CCC(=O)Nc1cccc(Cl)c1","N#CCC(=O)Nc1cc(ccc1)Cl",null,"N#CCC(=O)Nc1cccc(Cl)c1","N#CCC(=O)Nc1cc(ccc1)Cl",null,"N#CCC(=O)Nc1cccc(Cl)c1","N#CCC(=O)Nc1cc(ccc1)Cl",null,"N#CCC(=O)Nc1cccc(Cl)c1","N#CCC(=O)Nc1cc(ccc1)Cl"]
[4169,"17722-17-7","N#CCC(=O)Nc1ccc(Cl)cc1","N#CCC(=O)Nc1ccc(cc1)Cl",null,"N#CCC(=O)Nc1ccc(Cl)cc1","N#CCC(=O)Nc1ccc(cc1)Cl",null,"N#CCC(=O)Nc1ccc(Cl)cc1","N#CCC(=O)Nc1ccc(cc1)Cl",null,"N#CCC(=O)Nc1ccc(Cl)cc1","N#CCC(=O)Nc1ccc(cc1)Cl"]
[4170,"17772-30-4",{"$nulls":6},"O=C(O)C(=O)Nc1ccc(Cl)cc1Cl","O=C(O)C(=O)Nc1c(cc(cc1)Cl)Cl",null,"O=C(O)C(=O)Nc1ccc(Cl)cc1Cl","O=C(O)C(=O)Nc1c(cc(cc1)Cl)Cl"]
[4171,"17784-12-2","CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O","CCn1c(nc(cc1)NS(=O)(=O)c2ccc(cc2)N)=O",null,"CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O","CCn1c(nc(cc1)NS(=O)(=O)c2ccc(cc2)N)=O",null,"CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O","CCn1c(nc(cc1)NS(=O)(=O)c2ccc(cc2)N)=O",null,"CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O","CCn1c(nc(cc1)NS(=O)(=O)c2ccc(cc2)N)=O"]
[4172,"17804-35-2","CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc21","CCCCNC(=O)n1c2c(nc1NC(=O)OC)cccc2",null,"CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc21","CCCCNC(=O)n1c2c(nc1NC(=O)OC)cccc2",null,"CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc21","CCCCNC(=O)n1c2c(nc1NC(=O)OC)cccc2"]
[4173,"17894-07-4"]
[4174,"17916-88-0","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C",null,"CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C",null,"CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C",null,"CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C"]
[4175,"17973-92-1","Nc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1","Nc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]",null,"Nc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1","Nc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]",null,"Nc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1","Nc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]",null,"Nc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1","Nc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]"]
[4176,"18046-21-4","O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1","O=C(O)Cc1c(nc(s1)-c2ccccc2)-c3ccc(cc3)Cl",null,"O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1","O=C(O)Cc1c(nc(s1)-c2ccccc2)-c3ccc(cc3)Cl",null,"O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1","O=C(O)Cc1c(nc(s1)-c2ccccc2)-c3ccc(cc3)Cl",null,"O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1","O=C(O)Cc1c(nc(s1)-c2ccccc2)-c3ccc(cc3)Cl"]
[4177,"18060-79-2","C=CCCCN=C=S","C=CCCCN=C=S",null,"C=CCCCN=C=S","C=CCCCN=C=S",null,"C=CCCCN=C=S","C=CCCCN=C=S",null,"C=CCCCN=C=S","C=CCCCN=C=S"]
[4178,"18062-89-0","O=[N+]([O-])c1ccc(-c2ccccc2)cc1O","O=[N+]([O-])c1c(cc(cc1)-c2ccccc2)O",null,"O=[N+]([O-])c1ccc(-c2ccccc2)cc1O","O=[N+]([O-])c1c(cc(cc1)-c2ccccc2)O",null,"O=[N+]([O-])c1ccc(-c2ccccc2)cc1O","O=[N+]([O-])c1c(cc(cc1)-c2ccccc2)O",null,"O=[N+]([O-])c1ccc(-c2ccccc2)cc1O","O=[N+]([O-])c1c(cc(cc1)-c2ccccc2)O"]
[4179,"18102-32-4","COc1c(O)ccc(C=O)c1C","COc1c(c(ccc1O)C=O)C",{"$nulls":4},"COc1c(O)ccc(C=O)c1C","COc1c(c(ccc1O)C=O)C",null,"COc1c(O)ccc(C=O)c1C","COc1c(c(ccc1O)C=O)C"]
[4180,"18135-04-1","C[Si](C)(C)CCN","C[Si](C)(C)CCN"]
[4181,"18144-43-9","CC(C)OC(=O)c1ccc(N)cc1","CC(C)OC(=O)c1ccc(cc1)N",null,"CC(C)OC(=O)c1ccc(N)cc1","CC(C)OC(=O)c1ccc(cc1)N",null,"CC(C)OC(=O)c1ccc(N)cc1","CC(C)OC(=O)c1ccc(cc1)N",null,"CC(C)OC(=O)c1ccc(N)cc1","CC(C)OC(=O)c1ccc(cc1)N"]
[4182,"18144-62-2",{"$nulls":3},"CCN(CC)C(=O)c1cc2ccccc2oc1=O","CCN(CC)C(=O)c1c(oc2c(c1)cccc2)=O",{"$nulls":4},"CCN(CC)C(=O)c1cc2ccccc2oc1=O","CCN(CC)C(=O)c1c(oc2c(c1)cccc2)=O"]
[4183,"18166-02-4","C[Si](C)(C)CN","C[Si](C)(C)CN",null,"C[Si](C)(C)CN","C[Si](C)(C)CN",null,"C[Si](C)(C)CN","C[Si](C)(C)CN",null,"C[Si](C)(C)CN","C[Si](C)(C)CN"]
[4184,"18181-70-9","COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)I)Cl",null,"COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)I)Cl",null,"COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)I)Cl",null,"COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)I)Cl"]
[4185,"18181-80-1","CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1","CC(C)OC(=O)C(O)(c1ccc(cc1)Br)c2ccc(cc2)Br",null,"CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1","CC(C)OC(=O)C(O)(c1ccc(cc1)Br)c2ccc(cc2)Br",null,"CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1","CC(C)OC(=O)C(O)(c1ccc(cc1)Br)c2ccc(cc2)Br",null,"CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1","CC(C)OC(=O)C(O)(c1ccc(cc1)Br)c2ccc(cc2)Br"]
[4186,"18187-14-9","C[Si](C)(C)CCCN","C[Si](C)(C)CCCN",null,"C[Si](C)(C)CCCN","C[Si](C)(C)CCCN",null,"C[Si](C)(C)CCCN","C[Si](C)(C)CCCN",null,"C[Si](C)(C)CCCN","C[Si](C)(C)CCCN"]
[4187,"18259-05-7",{"$nulls":3},"Clc1c(Cl)c(Cl)c(-c2ccccc2)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)-c2ccccc2)Cl)Cl",null,"Clc1c(Cl)c(Cl)c(-c2ccccc2)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)-c2ccccc2)Cl)Cl",null,"Clc1c(Cl)c(Cl)c(-c2ccccc2)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)-c2ccccc2)Cl)Cl"]
[4188,"18264-75-0","N=C(NN)N[N+](=O)[O-]","N=C(NN)N[N+](=O)[O-]",{"$nulls":4},"N=C(NN)N[N+](=O)[O-]","N=C(NN)N[N+](=O)[O-]",null,"N=C(NN)N[N+](=O)[O-]","N=C(NN)N[N+](=O)[O-]"]
[4189,"18268-54-7",{"$nulls":9},"O=S(=O)(O)c1ccc(N=Nc2c(O)ccc3ccccc23)c2ccccc12","O=S(=O)(O)c1c2c(c(cc1)N=Nc3c4c(ccc3O)cccc4)cccc2"]
[4190,"18282-51-4","OCc1ccc(I)cc1","OCc1ccc(cc1)I",null,"OCc1ccc(I)cc1","OCc1ccc(cc1)I",null,"OCc1ccc(I)cc1","OCc1ccc(cc1)I",null,"OCc1ccc(I)cc1","OCc1ccc(cc1)I"]
[4191,"18310-18-4","CC1CCCC(=NO)C1=NO","CC1C(C(CCC1)=NO)=NO",{"$nulls":4},"CC1CCCC(=NO)C1=NO","CC1C(C(CCC1)=NO)=NO",null,"CC1CCCC(=NO)C1=NO","CC1C(C(CCC1)=NO)=NO"]
[4192,"18310-19-5","CC1CCC(=NO)C(=NO)C1","CC1CC(C(CC1)=NO)=NO",null,"CC1CCC(N=O)=C(NO)C1","CC1CC(=C(CC1)N=O)NO",null,"CC1CCC(=NO)C(=NO)C1","CC1CC(C(CC1)=NO)=NO",null,"CC1CCC(=NO)C(=NO)C1","CC1CC(C(CC1)=NO)=NO"]
[4193,"18310-20-8","CC(C)C1CCC(=NO)C(=NO)C1","CC(C)C1CC(C(CC1)=NO)=NO",{"$nulls":4},"CC(C)C1CCC(=NO)C(=NO)C1","CC(C)C1CC(C(CC1)=NO)=NO",null,"CC(C)C1CCC(=NO)C(=NO)C1","CC(C)C1CC(C(CC1)=NO)=NO"]
[4194,"18409-49-9","CC(NC(N)=O)C(=O)O","CC(NC(N)=O)C(=O)O",null,"CC(NC(N)=O)C(=O)[O-]","CC(NC(N)=O)C(=O)O"]
[4195,"18429-70-4","Cc1cccc2c1c(C)cc1cc3ccccc3cc12","Cc1c2c(ccc1)c3c(cc2C)cc4c(cccc4)c3",null,"Cc1cccc2c1c(C)cc1cc3ccccc3cc12","Cc1c2c(ccc1)c3c(cc2C)cc4c(cccc4)c3",{"$nulls":4},"Cc1cccc2c1c(C)cc1cc3ccccc3cc12","Cc1c2c(ccc1)c3c(cc2C)cc4c(cccc4)c3"]
[4196,"18438-56-7","CC1=NOC(=O)C1=NO","CC=1C(C(ON1)=O)=NO"]
[4197,"18486-81-2","ON=C1CCCCCCCCC1=NO","ON=C1C(CCCCCCCC1)=NO",{"$nulls":4},"ON=C1CCCCCCCCC1=NO","ON=C1C(CCCCCCCC1)=NO",null,"ON=C1CCCCCCCCC1=NO","ON=C1C(CCCCCCCC1)=NO"]
[4198,"18524-94-2",{"$nulls":3},"COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C","COC(=O)C=1C2C(C(OC1)OC3C(C(C(C(O3)CO)O)O)O)C(C(C2)O)C"]
[4199,"18530-56-8","CN(C)C(=O)NC1CC2CC1C1CCCC21","CN(C)C(=O)NC1C2CC(C1)C3C2CCC3",null,"CN(C)C(=O)NC1CC2CC1C1CCCC21","CN(C)C(=O)NC1C2CC(C1)C3C2CCC3",null,"CN(C)C(=O)NC1CC2CC1C1CCCC21","CN(C)C(=O)NC1C2CC(C1)C3C2CCC3",null,"CN(C)C(=O)NC1CC2CC1C1CCCC21","CN(C)C(=O)NC1C2CC(C1)C3C2CCC3"]
[4200,"18542-39-7","CCSS(=O)CC","CCSS(=O)CC",null,"CCSS(=O)CC","CCSS(=O)CC",null,"CCSS(=O)CC","CCSS(=O)CC",null,"CCSS(=O)CC","CCSS(=O)CC"]
[4201,"18559-94-9","CC(C)(C)NCC(O)c1ccc(O)c(CO)c1","CC(C)(C)NCC(O)c1cc(c(cc1)O)CO",null,"CC(C)(C)NCC(O)c1ccc(O)c(CO)c1","CC(C)(C)NCC(O)c1cc(c(cc1)O)CO",null,"CC(C)(C)NCC(O)c1ccc(O)c(CO)c1","CC(C)(C)NCC(O)c1cc(c(cc1)O)CO",null,"CC(C)(C)NCC(O)c1ccc(O)c(CO)c1","CC(C)(C)NCC(O)c1cc(c(cc1)O)CO"]
[4202,"18653-59-3","COC1CCCC(C)O1","COC1OC(CCC1)C",{"$nulls":4},"COC1CCCC(C)O1","COC1OC(CCC1)C",null,"COC1CCCC(C)O1","COC1OC(CCC1)C"]
[4203,"18679-55-5","CC12CCC(CC1=O)C(C)(C)O2","CC12C(CC(CC1)C(C)(C)O2)=O",{"$nulls":4},"CC12CCC(CC1=O)C(C)(C)O2","CC12C(CC(CC1)C(C)(C)O2)=O",null,"CC12CCC(CC1=O)C(C)(C)O2","CC12C(CC(CC1)C(C)(C)O2)=O"]
[4204,"18691-97-9","CNC(=O)N(C)c1nc2ccccc2s1","CNC(=O)N(C)c1sc2c(n1)cccc2",null,"CNC(=O)N(C)c1nc2ccccc2s1","CNC(=O)N(C)c1sc2c(n1)cccc2",null,"CNC(=O)N(C)c1nc2ccccc2s1","CNC(=O)N(C)c1sc2c(n1)cccc2"]
[4205,"18708-70-8","O=[N+]([O-])c1c(Cl)cc(Cl)cc1Cl","O=[N+]([O-])c1c(cc(cc1Cl)Cl)Cl",null,"O=[N+]([O-])c1c(Cl)cc(Cl)cc1Cl","O=[N+]([O-])c1c(cc(cc1Cl)Cl)Cl",null,"O=[N+]([O-])c1c(Cl)cc(Cl)cc1Cl","O=[N+]([O-])c1c(cc(cc1Cl)Cl)Cl",null,"O=[N+]([O-])c1c(Cl)cc(Cl)cc1Cl","O=[N+]([O-])c1c(cc(cc1Cl)Cl)Cl"]
[4206,"18720-62-2","CCCCC(O)C(C)C","CCCCC(O)C(C)C",null,"CCCCC(O)C(C)C","CCCCC(O)C(C)C"]
[4207,"18720-65-5","CCC(C)CC(O)CC","CCC(C)CC(O)CC",null,"CCC(C)CC(O)CC","CCC(C)CC(O)CC"]
[4208,"18720-66-6","CCC(O)CCC(C)C","CCC(O)CCC(C)C",null,"CCC(O)CCC(C)C","CCC(O)CCC(C)C"]
[4209,"18721-69-2","O=C(O)C1CCC(C(=O)O)[Se]1","O=C(O)C1[Se]C(CC1)C(=O)O",{"$nulls":4},"O=C(O)C1CCC(C(=O)O)[Se]1","O=C(O)C1[Se]C(CC1)C(=O)O",null,"O=C(O)C1CCC(C(=O)O)[Se]1","O=C(O)C1[Se]C(CC1)C(=O)O"]
[4210,"18807-87-9"]
[4211,"18854-01-8","CCOP(=S)(OCC)Oc1cc(-c2ccccc2)on1","CCOP(=S)(OCC)Oc1noc(c1)-c2ccccc2",null,"CCOP(=S)(OCC)Oc1cc(-c2ccccc2)on1","CCOP(=S)(OCC)Oc1noc(c1)-c2ccccc2",null,"CCOP(=S)(OCC)Oc1cc(-c2ccccc2)on1","CCOP(=S)(OCC)Oc1noc(c1)-c2ccccc2",null,"CCOP(=S)(OCC)Oc1cc(-c2ccccc2)on1","CCOP(=S)(OCC)Oc1noc(c1)-c2ccccc2"]
[4212,"18854-93-8"]
[4213,"18934-77-5","CC(C)CC(=O)Oc1ccc([N+](=O)[O-])cc1","CC(C)CC(=O)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},"CC(C)CC(=O)Oc1ccc([N+](=O)[O-])cc1","CC(C)CC(=O)Oc1ccc(cc1)[N+](=O)[O-]",null,"CC(C)CC(=O)Oc1ccc([N+](=O)[O-])cc1","CC(C)CC(=O)Oc1ccc(cc1)[N+](=O)[O-]"]
[4214,"18982-54-2","OCc1ccccc1Br","OCc1c(cccc1)Br",null,"OCc1ccccc1Br","OCc1c(cccc1)Br",null,"OCc1ccccc1Br","OCc1c(cccc1)Br",null,"OCc1ccccc1Br","OCc1c(cccc1)Br"]
[4215,"19044-88-3","CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(N)(=O)=O)[N+](=O)[O-]",null,"CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(N)(=O)=O)[N+](=O)[O-]",null,"CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(N)(=O)=O)[N+](=O)[O-]",null,"CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(N)(=O)=O)[N+](=O)[O-]"]
[4216,"19077-98-6",{"$nulls":3},"CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2",{"$nulls":4},"CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2"]
[4217,"19152-77-3","CCc1nc2nc(N)nc(N)c2nc1CC","CCc1c(nc2c(n1)nc(N)nc2N)CC",{"$nulls":4},"CCc1nc2nc(=N)[nH]c(N)c2nc1CC","CCc1c(nc2c(n1)nc(=N)[nH]c2N)CC",null,"CCc1nc2nc(=N)[nH]c(N)c2nc1CC","CCc1c(nc2c(n1)nc(=N)[nH]c2N)CC"]
[4218,"19167-57-8","CNc1ncc2nccnc2n1","CNc1nc2c(cn1)nccn2",{"$nulls":4},"CN=c1nc2nccnc2c[nH]1","CN=c1[nH]cc2c(n1)nccn2",null,"CN=c1nc2nccnc2c[nH]1","CN=c1[nH]cc2c(n1)nccn2"]
[4219,"19250-24-9",{"$nulls":3},"Nc1ccc(S(=O)(=O)N=c2ccccn2O)cc1","Nc1ccc(cc1)S(=O)(=O)N=c2n(cccc2)O"]
[4220,"19264-34-7","CCC(=O)NC(C)=O","CCC(=O)NC(C)=O",{"$nulls":4},"CCC(=O)NC(C)=O","CCC(=O)NC(C)=O",null,"CCC(=O)NC(C)=O","CCC(=O)NC(C)=O"]
[4221,"19275-71-9","COc1cc(NC(=O)c2cccnc2)c2ncccc2c1","COc1cc2c(c(c1)NC(=O)c3cnccc3)nccc2",{"$nulls":4},"COc1cc(N=C(O)c2cccnc2)c2ncccc2c1","COc1cc2c(c(c1)N=C(O)c3cnccc3)nccc2",null,"COc1cc(N=C(O)c2cccnc2)c2ncccc2c1","COc1cc2c(c(c1)N=C(O)c3cnccc3)nccc2"]
[4222,"19288-69-8"]
[4223,"19288-70-1","CCCCCCCCS(=O)(=O)NS(=O)(=O)CCCCCCCC","CCCCCCCCS(=O)(=O)NS(=O)(=O)CCCCCCCC"]
[4224,"19396-06-6","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1OC(n2cc(CO)c(=O)[nH]c2=O)C(O)C1O","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1C(C(C(O1)n2c([nH]c(c(c2)CO)=O)=O)O)O",null,"NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1OC(n2cc(CO)c(=O)[nH]c2=O)C(O)C1O","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1C(C(C(O1)n2c([nH]c(c(c2)CO)=O)=O)O)O",null,"NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1OC(n2cc(CO)c(=O)[nH]c2=O)C(O)C1O","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1C(C(C(O1)n2c([nH]c(c(c2)CO)=O)=O)O)O",null,"NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1OC(n2cc(CO)c(=O)[nH]c2=O)C(O)C1O","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1C(C(C(O1)n2c([nH]c(c(c2)CO)=O)=O)O)O"]
[4225,"19408-46-9",{"$nulls":3},"CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1N=C(N)C(=O)O","CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(N)C(=O)O","[Cl-](1), [H+](1)",{"$nulls":3},"CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1NC(=N)C(=O)O","CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)NC(=N)C(=O)O","Cl(1)"]
[4226,"19433-84-2","NC(=O)C(Cl)CCl","NC(=O)C(Cl)CCl",null,"NC(=O)C(Cl)CCl","NC(=O)C(Cl)CCl"]
[4227,"19463-48-0","COc1cc(C=O)cc(Cl)c1O","COc1c(c(cc(c1)C=O)Cl)O",null,"COc1cc(C=O)cc(Cl)c1O","COc1c(c(cc(c1)C=O)Cl)O",null,"COc1cc(C=O)cc(Cl)c1O","COc1c(c(cc(c1)C=O)Cl)O",null,"COc1cc(C=O)cc(Cl)c1O","COc1c(c(cc(c1)C=O)Cl)O"]
[4228,"19477-73-7","O=C1OCc2ccc(Br)cc21","O=C1c2c(CO1)ccc(Br)c2",null,"O=C1OCc2ccc(Br)cc21","O=C1c2c(CO1)ccc(Br)c2",null,"O=C1OCc2ccc(Br)cc21","O=C1c2c(CO1)ccc(Br)c2",null,"O=C1OCc2ccc(Br)cc21","O=C1c2c(CO1)ccc(Br)c2"]
[4229,"19549-79-2","CCC(C)C(O)C(C)CC","CCC(C)C(O)C(C)CC",null,"CCC(C)C(O)C(C)CC","CCC(C)C(O)C(C)CC"]
[4230,"19550-30-2","CC(C)C(C)CO","CC(C)C(C)CO",null,"CC(C)C(C)CO","CC(C)C(C)CO"]
[4231,"19578-81-5","Oc1c(Cl)cc(Cl)cc1Cc1ccccc1","Oc1c(cc(cc1Cl)Cl)Cc2ccccc2",null,"Oc1c(Cl)cc(Cl)cc1Cc1ccccc1","Oc1c(cc(cc1Cl)Cl)Cc2ccccc2",null,"Oc1c(Cl)cc(Cl)cc1Cc1ccccc1","Oc1c(cc(cc1Cl)Cl)Cc2ccccc2",null,"Oc1c(Cl)cc(Cl)cc1Cc1ccccc1","Oc1c(cc(cc1Cl)Cl)Cc2ccccc2"]
[4232,"19622-19-6",{"$nulls":3},"CCSC(=O)NCCC[NH+](C)C","CCSC(=O)NCCCN(C)C","[Cl-](1)",{"$nulls":3},"CCSC(=O)NCCC[NH+](C)C","CCSC(=O)NCCCN(C)C","[Cl-](1)"]
[4233,"19641-29-3","O=C1OCc2ccc(Cl)cc21","O=C1c2c(CO1)ccc(Cl)c2",{"$nulls":4},"O=C1OCc2ccc(Cl)cc21","O=C1c2c(CO1)ccc(Cl)c2",null,"O=C1OCc2ccc(Cl)cc21","O=C1c2c(CO1)ccc(Cl)c2"]
[4234,"19666-30-9","CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl","CC(C)Oc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl",null,"CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl","CC(C)Oc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl",null,"CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl","CC(C)Oc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl",null,"CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl","CC(C)Oc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl"]
[4235,"19692-24-1","CCOc1ccc(C(=O)O)c2ccccc12","CCOc1c2c(c(cc1)C(=O)O)cccc2",{"$nulls":7},"CCOc1ccc(C(=O)O)c2ccccc12","CCOc1c2c(c(cc1)C(=O)O)cccc2"]
[4236,"19757-53-0","CCC(C)(O)C(O)c1ccccc1","CCC(C)(O)C(O)c1ccccc1",{"$nulls":4},"CCC(C)(O)C(O)c1ccccc1","CCC(C)(O)C(O)c1ccccc1",null,"CCC(C)(O)C(O)c1ccccc1","CCC(C)(O)C(O)c1ccccc1"]
[4237,"19764-30-8","CC(=O)NC(CC(C)C)C(=O)O","CC(=O)NC(CC(C)C)C(=O)O",{"$nulls":4},"CC(=O)NC(CC(C)C)C(=O)O","CC(=O)NC(CC(C)C)C(=O)O",null,"CC(=O)NC(CC(C)C)C(=O)O","CC(=O)NC(CC(C)C)C(=O)O"]
[4238,"19764-31-9","CCC(C)C(NC(C)=O)C(=O)O","CCC(C)C(NC(C)=O)C(=O)O",null,"CCC(C)C(NC(C)=O)C(=O)O","CCC(C)C(NC(C)=O)C(=O)O",null,"CCC(C)C(N=C(C)O)C(=O)O","CCC(C)C(N=C(C)O)C(=O)O",null,"CCC(C)C(N=C(C)O)C(=O)O","CCC(C)C(N=C(C)O)C(=O)O"]
[4239,"19794-53-7","COCC(N)C(=O)O","COCC(N)C(=O)O",null,"COCC(N)C(=O)O","COCC(N)C(=O)O"]
[4240,"19808-30-1","O=c1nc[nH]cc1Br","O=c1c(c[nH]cn1)Br",null,"O=c1[nH]cncc1Br","O=c1c(cnc[nH]1)Br",null,"Oc1ncncc1Br","Oc1c(cncn1)Br",null,"Oc1ncncc1Br","Oc1c(cncn1)Br"]
[4241,"19867-18-6",{"$nulls":3},"N#Cc1c(O)[nH]c(Cl)cc1=O","N#Cc1c(cc([nH]c1O)Cl)=O",{"$nulls":4},"N#Cc1c(O)cc(Cl)[nH]c1=O","N#Cc1c([nH]c(cc1O)Cl)=O"]
[4242,"19889-01-1",{"$nulls":3},"C=C1C(=O)OC2C=C(CO)CCC=C(C)CC(OC(=O)C(C)CO)C12","C=C1C2C(OC1=O)C=C(CO)CCC=C(C)CC2OC(=O)C(C)CO"]
[4243,"19937-59-8","COc1ccc(NC(=O)N(C)C)cc1Cl","COc1c(cc(cc1)NC(=O)N(C)C)Cl",null,"COc1ccc(NC(=O)N(C)C)cc1Cl","COc1c(cc(cc1)NC(=O)N(C)C)Cl",null,"COc1ccc(NC(=O)N(C)C)cc1Cl","COc1c(cc(cc1)NC(=O)N(C)C)Cl",null,"COc1ccc(NC(=O)N(C)C)cc1Cl","COc1c(cc(cc1)NC(=O)N(C)C)Cl"]
[4244,"19961-27-4","CCNC(C)C","CCNC(C)C",null,"CCNC(C)C","CCNC(C)C",null,"CCNC(C)C","CCNC(C)C",null,"CCNC(C)C","CCNC(C)C"]
[4245,"20020-02-4","Clc1c(Cl)c(Cl)c2ccccc2c1Cl","Clc1c(c2c(c(c1Cl)Cl)cccc2)Cl",null,"Clc1c(Cl)c(Cl)c2ccccc2c1Cl","Clc1c(c2c(c(c1Cl)Cl)cccc2)Cl",null,"Clc1c(Cl)c(Cl)c2ccccc2c1Cl","Clc1c(c2c(c(c1Cl)Cl)cccc2)Cl",null,"Clc1c(Cl)c(Cl)c2ccccc2c1Cl","Clc1c(c2c(c(c1Cl)Cl)cccc2)Cl"]
[4246,"20020-13-7","O=[N+]([O-])Nc1ccc([N+](=O)[O-])cc1","O=[N+]([O-])Nc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},"O=[N+]([O-])Nc1ccc([N+](=O)[O-])cc1","O=[N+]([O-])Nc1ccc(cc1)[N+](=O)[O-]",null,"O=[N+]([O-])Nc1ccc([N+](=O)[O-])cc1","O=[N+]([O-])Nc1ccc(cc1)[N+](=O)[O-]"]
[4247,"20043-94-1","CCCCCCCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCCCCCCOC(=O)c1ccc(cc1)N",null,"CCCCCCCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCCCCCCOC(=O)c1ccc(cc1)N"]
[4248,"20049-93-8","CCCCCN(N=Cc1ccc([N+](=O)[O-])o1)C(N)=O","CCCCCN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O",{"$nulls":4},"CCCCCN(N=Cc1ccc([N+](=O)[O-])o1)C(=N)O","CCCCCN(N=Cc1oc(cc1)[N+](=O)[O-])C(=N)O",null,"CCCCCN(N=Cc1ccc([N+](=O)[O-])o1)C(=N)O","CCCCCN(N=Cc1oc(cc1)[N+](=O)[O-])C(=N)O"]
[4249,"20057-31-2",{"$nulls":3},"C=C(CC(Cl)(Cl)Cl)c1ccccc1","C=C(CC(Cl)(Cl)Cl)c1ccccc1",{"$nulls":4},"C=C(CC(Cl)(Cl)Cl)c1ccccc1","C=C(CC(Cl)(Cl)Cl)c1ccccc1"]
[4250,"20168-99-4","COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)C=Cc1ccccc1","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)C=Cc3ccccc3",null,"COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)C=Cc1ccccc1","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)C=Cc3ccccc3",null,"COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)C=Cc1ccccc1","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)C=Cc3ccccc3",null,"COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)C=Cc1ccccc1","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)C=Cc3ccccc3"]
[4251,"20195-08-8","CCCCCOP(=O)(OCC)OCC","CCCCCOP(=O)(OCC)OCC",null,"CCCCCOP(=O)(OCC)OCC","CCCCCOP(=O)(OCC)OCC",null,"CCCCCOP(=O)(OCC)OCC","CCCCCOP(=O)(OCC)OCC",null,"CCCCCOP(=O)(OCC)OCC","CCCCCOP(=O)(OCC)OCC"]
[4252,"20257-17-4","CCC(C)C(NC(C)=O)C(=O)O","CCC(C)C(NC(C)=O)C(=O)O",null,"CCC(C)C(NC(C)=O)C(=O)O","CCC(C)C(NC(C)=O)C(=O)O"]
[4253,"20279-51-0","CCCCCCOC(=O)C(C)O","CCCCCCOC(=O)C(C)O",null,"CCCCCCOC(=O)C(C)O","CCCCCCOC(=O)C(C)O"]
[4254,"20281-91-8",{"$nulls":3},"CC(O)C(C)(C)C","CC(O)C(C)(C)C"]
[4255,"20296-29-1",{"$nulls":3},"CCCCCC(O)CC","CCCCCC(O)CC"]
[4256,"20301-63-7",{"$nulls":3},"CCS(=O)(=O)CCSP(=S)(OC)OC","CCS(=O)(=O)CCSP(=S)(OC)OC",{"$nulls":4},"CCS(=O)(=O)CCSP(=S)(OC)OC","CCS(=O)(=O)CCSP(=S)(OC)OC"]
[4257,"20324-33-8","COC(C)COC(C)COC(C)CO","COC(C)COC(C)COC(C)CO",null,"COCC(C)OCC(C)OCC(C)O","COCC(C)OCC(C)OCC(C)O",null,"COCC(C)OCC(C)OCC(C)O","COCC(C)OCC(C)OCC(C)O",null,"COCC(C)OCC(C)OCC(C)O","COCC(C)OCC(C)OCC(C)O"]
[4258,"20354-26-1","Cn1c(=O)on(-c2ccc(Cl)c(Cl)c2)c1=O","Cn1c(n(oc1=O)-c2cc(c(cc2)Cl)Cl)=O",null,"Cn1c(=O)on(-c2ccc(Cl)c(Cl)c2)c1=O","Cn1c(n(oc1=O)-c2cc(c(cc2)Cl)Cl)=O",null,"Cn1c(=O)on(-c2ccc(Cl)c(Cl)c2)c1=O","Cn1c(n(oc1=O)-c2cc(c(cc2)Cl)Cl)=O",null,"Cn1c(=O)on(-c2ccc(Cl)c(Cl)c2)c1=O","Cn1c(n(oc1=O)-c2cc(c(cc2)Cl)Cl)=O"]
[4259,"20367-32-2","CCCOc1ccc(NC(C)=O)cc1","CCCOc1ccc(cc1)NC(C)=O",null,"CCCOc1ccc(NC(C)=O)cc1","CCCOc1ccc(cc1)NC(C)=O",null,"CCCOc1ccc(NC(C)=O)cc1","CCCOc1ccc(cc1)NC(C)=O",null,"CCCOc1ccc(NC(C)=O)cc1","CCCOc1ccc(cc1)NC(C)=O"]
[4260,"20473-73-8","CCCOC(=O)CCO","CCCOC(=O)CCO","CC(O)=O(1)"]
[4261,"20473-77-2","CCCCCOC(=O)CCO","CCCCCOC(=O)CCO","CC(O)=O(1)"]
[4262,"20618-41-1","CC12CCC(C(CO)C1=O)C2(C)C","CC12C(C(C(CC1)C2(C)C)CO)=O",null,"CC12CCC(C(CO)C1=O)C2(C)C","CC12C(C(C(CC1)C2(C)C)CO)=O",{"$nulls":4},"CC12CCC(C(CO)C1=O)C2(C)C","CC12C(C(C(CC1)C2(C)C)CO)=O"]
[4263,"20632-28-4","Cc1ccccc1N(C)C(N)=O","Cc1c(cccc1)N(C)C(N)=O",null,"Cc1ccccc1N(C)C(N)=O","Cc1c(cccc1)N(C)C(N)=O",{"$nulls":4},"Cc1ccccc1N(C)C(N)=O","Cc1c(cccc1)N(C)C(N)=O"]
[4264,"20633-11-8","CCCCCCO[N+](=O)[O-]","CCCCCCO[N+](=O)[O-]",null,"CCCCCCO[N+](=O)[O-]","CCCCCCO[N+](=O)[O-]",null,"CCCCCCO[N+](=O)[O-]","CCCCCCO[N+](=O)[O-]",null,"CCCCCCO[N+](=O)[O-]","CCCCCCO[N+](=O)[O-]"]
[4265,"20664-26-0"]
[4266,"20664-28-2"]
[4267,"20664-34-0"]
[4268,"20664-36-2"]
[4269,"20664-40-8"]
[4270,"20722-63-8","CCN(C(N)=O)c1ccccc1C","CCN(C(N)=O)c1c(cccc1)C",null,"CCN(C(N)=O)c1ccccc1C","CCN(C(N)=O)c1c(cccc1)C"]
[4271,"20724-92-9"]
[4272,"20753-85-9"]
[4273,"20763-91-1",{"$nulls":3},"O=C(O)Cc1c[nH]c(=O)[nH]c1=O","O=C(O)Cc1c([nH]c([nH]c1)=O)=O",{"$nulls":4},"O=C(O)Cc1c[nH]c(=O)[nH]c1=O","O=C(O)Cc1c([nH]c([nH]c1)=O)=O"]
[4274,"20769-96-4"]
[4275,"20782-48-3","CC(=O)c1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)cc1","CC(=O)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)=O",null,"CC(=O)c1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)cc1","CC(=O)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)=O",null,"CC(=O)c1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)cc1","CC(=O)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)=O",null,"CC(=O)c1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)cc1","CC(=O)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)=O"]
[4276,"20805-10-1","CCCC(O)(CCC)C(O)c1ccccc1","CCCC(O)(CCC)C(O)c1ccccc1",{"$nulls":4},"CCCC(O)(CCC)C(O)c1ccccc1","CCCC(O)(CCC)C(O)c1ccccc1",null,"CCCC(O)(CCC)C(O)c1ccccc1","CCCC(O)(CCC)C(O)c1ccccc1"]
[4277,"20805-11-2","CCCCC(O)(CCCC)C(O)c1ccccc1","CCCCC(O)(CCCC)C(O)c1ccccc1"]
[4278,"20820-44-4",{"$nulls":9},"O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])[N+](=O)[O-]"]
[4279,"20820-82-0","Cc1cc(C)c(C)c(C)n1","Cc1nc(c(c(c1)C)C)C",null,"Cc1cc(C)c(C)c(C)n1","Cc1nc(c(c(c1)C)C)C",null,"Cc1cc(C)c(C)c(C)n1","Cc1nc(c(c(c1)C)C)C",null,"Cc1cc(C)c(C)c(C)n1","Cc1nc(c(c(c1)C)C)C"]
[4280,"20830-75-5","CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(C(C6)O)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O",null,"CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(C(C6)O)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O",null,"CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(C(C6)O)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O",null,"CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(C(C6)O)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O"]
[4281,"20836-12-8"]
[4282,"20856-57-9","O=CNC(Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl","O=CNC(Nc1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl",null,"O=CNC(Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl","O=CNC(Nc1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl",null,"O=CNC(Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl","O=CNC(Nc1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl",null,"O=CNC(Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl","O=CNC(Nc1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl"]
[4283,"20862-58-2","O=C(O)Cc1cc2ccccc2oc1=O","O=C(O)Cc1c(oc2c(c1)cccc2)=O",{"$nulls":4},"O=C(O)Cc1cc2ccccc2oc1=O","O=C(O)Cc1c(oc2c(c1)cccc2)=O",null,"O=C(O)Cc1cc2ccccc2oc1=O","O=C(O)Cc1c(oc2c(c1)cccc2)=O"]
[4284,"20893-64-5","O=C1CC=CS1","O=C1SC=CC1"]
[4285,"20939-13-3",{"$nulls":6},"N=C(S)NCNC(=N)S","N=C(S)NCNC(=N)S",null,"N=C(S)NCNC(=N)S","N=C(S)NCNC(=N)S"]
[4286,"20939-17-7","S=c1[nH]sc(=S)[nH]1","S=c1[nH]c(s[nH]1)=S",null,"S=c1[nH]sc(=S)[nH]1","S=c1[nH]c(s[nH]1)=S",null,"S=c1[nH]sc(=S)[nH]1","S=c1[nH]c(s[nH]1)=S",null,"S=c1[nH]sc(=S)[nH]1","S=c1[nH]c(s[nH]1)=S"]
[4287,"21087-64-9","CSc1nnc(C(C)(C)C)c(=O)n1N","CSc1n(c(c(nn1)C(C)(C)C)=O)N",null,"CSc1nnc(C(C)(C)C)c(=O)n1N","CSc1n(c(c(nn1)C(C)(C)C)=O)N",null,"CSc1nnc(C(C)(C)C)c(=O)n1N","CSc1n(c(c(nn1)C(C)(C)C)=O)N",null,"CSc1nnc(C(C)(C)C)c(=O)n1N","CSc1n(c(c(nn1)C(C)(C)C)=O)N"]
[4288,"21142-58-5"]
[4289,"21145-77-7","CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C","CC(=O)c1c(cc2c(c1)C(CC(C2(C)C)C)(C)C)C",null,"CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C","CC(=O)c1c(cc2c(c1)C(CC(C2(C)C)C)(C)C)C",null,"CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C","CC(=O)c1c(cc2c(c1)C(CC(C2(C)C)C)(C)C)C",null,"CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C","CC(=O)c1c(cc2c(c1)C(CC(C2(C)C)C)(C)C)C"]
[4290,"21161-11-5","O=C(O)c1cccc(C(=O)O)c1[N+](=O)[O-]","O=C(O)c1c(c(ccc1)C(=O)O)[N+](=O)[O-]",null,"O=C(O)c1cccc(C(=O)O)c1[N+](=O)[O-]","O=C(O)c1c(c(ccc1)C(=O)O)[N+](=O)[O-]",null,"O=C(O)c1cccc(C(=O)O)c1[N+](=O)[O-]","O=C(O)c1c(c(ccc1)C(=O)O)[N+](=O)[O-]",null,"O=C(O)c1cccc(C(=O)O)c1[N+](=O)[O-]","O=C(O)c1c(c(ccc1)C(=O)O)[N+](=O)[O-]"]
[4291,"21267-72-1","C#CC(C)N(C(=O)CCl)c1ccccc1","C#CC(C)N(C(=O)CCl)c1ccccc1",null,"C#CC(C)N(C(=O)CCl)c1ccccc1","C#CC(C)N(C(=O)CCl)c1ccccc1",null,"C#CC(C)N(C(=O)CCl)c1ccccc1","C#CC(C)N(C(=O)CCl)c1ccccc1",null,"C#CC(C)N(C(=O)CCl)c1ccccc1","C#CC(C)N(C(=O)CCl)c1ccccc1"]
[4292,"21326-62-5","CC(Cl)C(C)(C)O","CC(Cl)C(C)(C)O",{"$nulls":4},"CC(Cl)C(C)(C)O","CC(Cl)C(C)(C)O",null,"CC(Cl)C(C)(C)O","CC(Cl)C(C)(C)O"]
[4293,"21419-76-1","O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2ccccc2)cc1O","O=[N+]([O-])c1c(cc(c(c1)[N+](=O)[O-])-c2ccccc2)O",{"$nulls":4},"O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2ccccc2)cc1O","O=[N+]([O-])c1c(cc(c(c1)[N+](=O)[O-])-c2ccccc2)O",null,"O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2ccccc2)cc1O","O=[N+]([O-])c1c(cc(c(c1)[N+](=O)[O-])-c2ccccc2)O"]
[4294,"21462-48-6","CC(=O)NC(CSc1ccc(Cl)cc1)C(=O)O","CC(=O)NC(CSc1ccc(cc1)Cl)C(=O)O",null,"CC(=O)NC(CSc1ccc(Cl)cc1)C(=O)O","CC(=O)NC(CSc1ccc(cc1)Cl)C(=O)O"]
[4295,"21548-32-3","CCOP(=O)(N=C1SCS1)OCC","CCOP(=O)(N=C1SCS1)OCC",null,"CCOP(=O)(N=C1SCS1)OCC","CCOP(=O)(N=C1SCS1)OCC",null,"CCOP(=O)(N=C1SCS1)OCC","CCOP(=O)(N=C1SCS1)OCC",null,"CCOP(=O)(N=C1SCS1)OCC","CCOP(=O)(N=C1SCS1)OCC"]
[4296,"21564-17-0",{"$nulls":3},"N#CSCSc1nc2ccccc2s1","N#CSCSc1sc2c(n1)cccc2",null,"N#CSCSc1nc2ccccc2s1","N#CSCSc1sc2c(n1)cccc2",null,"N#CSCSc1nc2ccccc2s1","N#CSCSc1sc2c(n1)cccc2"]
[4297,"21570-35-4","CCCC(O)CC(C)C","CCCC(O)CC(C)C",null,"CCCC(O)CC(C)C","CCCC(O)CC(C)C"]
[4298,"21609-90-5","COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1","COP(=S)(Oc1c(cc(c(c1)Cl)Br)Cl)c2ccccc2",null,"COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1","COP(=S)(Oc1c(cc(c(c1)Cl)Br)Cl)c2ccccc2",null,"COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1","COP(=S)(Oc1c(cc(c(c1)Cl)Br)Cl)c2ccccc2",null,"COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1","COP(=S)(Oc1c(cc(c(c1)Cl)Br)Cl)c2ccccc2"]
[4299,"21626-90-4",{"$nulls":9},"CC(=O)Nc1ccc2c(c1)C(=O)OC2","CC(=O)Nc1cc2c(cc1)COC2=O"]
[4300,"21725-46-2","CCNc1nc(Cl)nc(NC(C)(C)C#N)n1","CCNc1nc(nc(n1)Cl)NC(C)(C)C#N",null,"CCNc1nc(Cl)nc(NC(C)(C)C#N)n1","CCNc1nc(nc(n1)Cl)NC(C)(C)C#N",null,"CCNc1nc(Cl)nc(NC(C)(C)C#N)n1","CCNc1nc(nc(n1)Cl)NC(C)(C)C#N",null,"CCNc1nc(Cl)nc(NC(C)(C)C#N)n1","CCNc1nc(nc(n1)Cl)NC(C)(C)C#N"]
[4301,"21739-92-4","O=C(O)c1cc(Br)ccc1Cl","O=C(O)c1c(ccc(c1)Br)Cl",null,"O=C([O-])c1cc(Br)ccc1Cl","O=C(O)c1c(ccc(c1)Br)Cl",null,"O=C(O)c1cc(Br)ccc1Cl","O=C(O)c1c(ccc(c1)Br)Cl",null,"O=C(O)c1cc(Br)ccc1Cl","O=C(O)c1c(ccc(c1)Br)Cl"]
[4302,"21744-84-3","CN1C(=O)COc2ccccc21","CN1c2c(OCC1=O)cccc2",null,"CN1C(=O)COc2ccccc21","CN1c2c(OCC1=O)cccc2",null,"CN1C(=O)COc2ccccc21","CN1c2c(OCC1=O)cccc2",null,"CN1C(=O)COc2ccccc21","CN1c2c(OCC1=O)cccc2"]
[4303,"21757-82-4",{"$nulls":3},"CC(=O)OC(c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl","CC(=O)OC(c1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl",{"$nulls":4},"CC(=O)OC(c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl","CC(=O)OC(c1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl"]
[4304,"21838-75-5","CCC(O)CNCC(O)CC","CCC(O)CNCC(O)CC",null,"CCC(O)CNCC(O)CC","CCC(O)CNCC(O)CC"]
[4305,"21981-48-6","CC(C)CCO[N+](=O)[O-]","CC(C)CCO[N+](=O)[O-]",null,"CCCC(C)O[N+](=O)[O-]","CCCC(C)O[N+](=O)[O-]",null,"CC(C)CCO[N+](=O)[O-]","CC(C)CCO[N+](=O)[O-]",null,"CCCC(C)O[N+](=O)[O-]","CCCC(C)O[N+](=O)[O-]"]
[4306,"22038-56-8","CC=C(Cl)C(=O)O","CC=C(Cl)C(=O)O",null,"CC=C(Cl)C(=O)O","CC=C(Cl)C(=O)O"]
[4307,"22042-59-7","C[NH+](C)C(CSC(N)=O)CSC(N)=O","CN(C)C(CSC(N)=O)CSC(N)=O","[Cl-](1)","C[NH+](C)C(CSC(N)=O)CSC(N)=O","CN(C)C(CSC(N)=O)CSC(N)=O","[Cl-](1)","CN(C)C(CSC(N)=O)CSC(N)=O","CN(C)C(CSC(N)=O)CSC(N)=O","Cl(1)","CN(C)C(CSC(N)=O)CSC(N)=O","CN(C)C(CSC(N)=O)CSC(N)=O","Cl(1)"]
[4308,"22071-15-4","CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1","CC(C(=O)O)c1cc(ccc1)C(=O)c2ccccc2",null,"CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1","CC(C(=O)O)c1cc(ccc1)C(=O)c2ccccc2",null,"CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1","CC(C(=O)O)c1cc(ccc1)C(=O)c2ccccc2",null,"CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1","CC(C(=O)O)c1cc(ccc1)C(=O)c2ccccc2"]
[4309,"22097-10-5","Cc1snnc1C(=O)O","Cc1c(nns1)C(=O)O",{"$nulls":4},"Cc1snnc1C(=O)O","Cc1c(nns1)C(=O)O",null,"Cc1snnc1C(=O)O","Cc1c(nns1)C(=O)O"]
[4310,"22119-15-9","CCOC(=S)SC(CC(=O)O)C(=O)O","CCOC(=S)SC(CC(=O)O)C(=O)O"]
[4311,"22150-76-1","CC(O)C(O)C1=Nc2c([nH]c(N)nc2=O)NC1","CC(O)C(O)C=1CNc2c(N1)c(nc([nH]2)N)=O",null,"CC(O)C(O)c1cnc2[nH]c(N)nc(=O)c2n1","CC(O)C(O)c1nc2c(nc1)[nH]c(N)nc2=O"]
[4312,"22204-53-1","COc1ccc2cc(C(C)C(=O)[O-])ccc2c1","COc1cc2c(cc1)cc(C(C)C(=O)O)cc2","[Na+](1)","COc1ccc2cc(C(C)C(=O)O)ccc2c1","COc1cc2c(cc1)cc(C(C)C(=O)O)cc2",null,"COc1ccc2cc(C(C)C(=O)O)ccc2c1","COc1cc2c(cc1)cc(C(C)C(=O)O)cc2",null,"COc1ccc2cc(C(C)C(=O)O)ccc2c1","COc1cc2c(cc1)cc(C(C)C(=O)O)cc2"]
[4313,"22212-55-1","CCOC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1","CCOC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)Cl)Cl",null,"CCOC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1","CCOC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)Cl)Cl",null,"CCOC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1","CCOC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)Cl)Cl",null,"CCOC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1","CCOC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)Cl)Cl"]
[4314,"22224-92-6","CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1","CCOP(=O)(NC(C)C)Oc1cc(c(cc1)SC)C",null,"CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1","CCOP(=O)(NC(C)C)Oc1cc(c(cc1)SC)C",null,"CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1","CCOP(=O)(NC(C)C)Oc1cc(c(cc1)SC)C",null,"CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1","CCOP(=O)(NC(C)C)Oc1cc(c(cc1)SC)C"]
[4315,"22248-79-9","COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl",null,"COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl",null,"COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl",null,"COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl"]
[4316,"22259-30-9","CNC(=O)Oc1cccc(N=CN(C)C)c1","CNC(=O)Oc1cc(ccc1)N=CN(C)C",null,"CNC(=O)Oc1cccc(N=CN(C)C)c1","CNC(=O)Oc1cc(ccc1)N=CN(C)C","[Cl-](1), [H+](1)","CNC(=O)Oc1cccc(N=CN(C)C)c1","CNC(=O)Oc1cc(ccc1)N=CN(C)C",null,"CNC(=O)Oc1cccc(N=CN(C)C)c1","CNC(=O)Oc1cc(ccc1)N=CN(C)C"]
[4317,"22288-78-4","COC(=O)c1sccc1N","COC(=O)c1c(ccs1)N",null,"COC(=O)c1sccc1N","COC(=O)c1c(ccs1)N",null,"COC(=O)c1sccc1N","COC(=O)c1c(ccs1)N",null,"COC(=O)c1sccc1N","COC(=O)c1c(ccs1)N"]
[4318,"22350-76-1",{"$nulls":9},"COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl"]
[4319,"22359-66-6"]
[4320,"22521-79-5","CCOc1ccc(NC(=O)CO)cc1","CCOc1ccc(cc1)NC(=O)CO",null,"CCOc1ccc(NC(=O)CO)cc1","CCOc1ccc(cc1)NC(=O)CO",null,"CCOc1ccc(NC(=O)CO)cc1","CCOc1ccc(cc1)NC(=O)CO",null,"CCOc1ccc(NC(=O)CO)cc1","CCOc1ccc(cc1)NC(=O)CO"]
[4321,"22589-07-7","O=C(O)c1ccccc1C(C(=O)O)c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(C(=O)O)c2c(cccc2)C(=O)O",{"$nulls":4},"O=C(O)c1ccccc1C(C(=O)O)c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(C(=O)O)c2c(cccc2)C(=O)O",null,"O=C(O)c1ccccc1C(C(=O)O)c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(C(=O)O)c2c(cccc2)C(=O)O"]
[4322,"22659-18-3"]
[4323,"22659-20-7"]
[4324,"22665-54-9","CCCOC(=O)CO","CCCOC(=O)CO","O[N+]([O-])=O(1)",{"$nulls":3},"CCCOC(=O)CO[N+](=O)[O-]","CCCOC(=O)CO[N+](=O)[O-]",null,"CCCOC(=O)CO[N+](=O)[O-]","CCCOC(=O)CO[N+](=O)[O-]"]
[4325,"22729-75-5",{"$nulls":3},"CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)c1ccccc1","CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)c1ccccc1",{"$nulls":4},"CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)c1ccccc1","CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)c1ccccc1"]
[4326,"22751-16-2","O=C(O)CC(=O)c1ccccc1[N+](=O)[O-]","O=C(O)CC(=O)c1c(cccc1)[N+](=O)[O-]"]
[4327,"22781-23-3","CNC(=O)Oc1cccc2c1OC(C)(C)O2","CNC(=O)Oc1c2c(ccc1)OC(O2)(C)C",null,"CNC(=O)Oc1cccc2c1OC(C)(C)O2","CNC(=O)Oc1c2c(ccc1)OC(O2)(C)C",null,"CNC(=O)Oc1cccc2c1OC(C)(C)O2","CNC(=O)Oc1c2c(ccc1)OC(O2)(C)C",null,"CNC(=O)Oc1cccc2c1OC(C)(C)O2","CNC(=O)Oc1c2c(ccc1)OC(O2)(C)C"]
[4328,"22862-76-6","COc1ccc(CC2NCC(O)C2OC(C)=O)cc1","COc1ccc(cc1)CC2C(C(CN2)O)OC(C)=O",null,"COc1ccc(CC2NCC(O)C2OC(C)=O)cc1","COc1ccc(cc1)CC2C(C(CN2)O)OC(C)=O",null,"COc1ccc(CC2NCC(O)C2OC(C)=O)cc1","COc1ccc(cc1)CC2C(C(CN2)O)OC(C)=O",null,"COc1ccc(CC2NCC(O)C2OC(C)=O)cc1","COc1ccc(cc1)CC2C(C(CN2)O)OC(C)=O"]
[4329,"22898-01-7",{"$nulls":3},"O=C([O-])C(F)(F)C(F)F","O=C(O)C(F)(F)C(F)F","[Na+](1)",{"$nulls":3},"O=C([O-])C(F)(F)C(F)F","O=C(O)C(F)(F)C(F)F","[Na+](1)"]
[4330,"22915-90-8"]
[4331,"22936-75-0",{"$nulls":3},"CCNc1nc(NC(C)C(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)C(C)C)SC",null,"CCNc1nc(NC(C)C(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)C(C)C)SC",null,"CCNc1nc(NC(C)C(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)C(C)C)SC"]
[4332,"22936-86-3","CC(C)Nc1nc(Cl)nc(NC2CC2)n1","CC(C)Nc1nc(nc(n1)Cl)NC2CC2","CCSC(=O)N(CC)CC(1)","CC(C)Nc1nc(Cl)nc(NC2CC2)n1","CC(C)Nc1nc(nc(n1)Cl)NC2CC2",null,"CC(C)Nc1nc(Cl)nc(NC2CC2)n1","CC(C)Nc1nc(nc(n1)Cl)NC2CC2",null,"CC(C)Nc1nc(Cl)nc(NC2CC2)n1","CC(C)Nc1nc(nc(n1)Cl)NC2CC2"]
[4333,"22994-85-0",{"$nulls":3},"O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1","O=C(Cn1c(ncc1)[N+](=O)[O-])NCc2ccccc2",{"$nulls":4},"O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1","O=C(Cn1c(ncc1)[N+](=O)[O-])NCc2ccccc2"]
[4334,"23031-36-9","C#CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O","C#CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",null,"C#CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O","C#CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",null,"C#CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O","C#CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",null,"C#CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O","C#CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O"]
[4335,"23043-88-1",{"$nulls":3},"CCn1cnc2c1c(=O)n(C)c(=O)n2C","CCn1c2c(nc1)n(c(n(c2=O)C)=O)C",{"$nulls":4},"CCn1cnc2c1c(=O)n(C)c(=O)n2C","CCn1c2c(nc1)n(c(n(c2=O)C)=O)C"]
[4336,"23103-98-2","Cc1nc(N(C)C)nc(OC(=O)N(C)C)c1C","Cc1c(c(nc(n1)N(C)C)OC(=O)N(C)C)C",null,"Cc1nc(N(C)C)nc(OC(=O)N(C)C)c1C","Cc1c(c(nc(n1)N(C)C)OC(=O)N(C)C)C",null,"Cc1nc(N(C)C)nc(OC(=O)N(C)C)c1C","Cc1c(c(nc(n1)N(C)C)OC(=O)N(C)C)C",null,"Cc1nc(N(C)C)nc(OC(=O)N(C)C)c1C","Cc1c(c(nc(n1)N(C)C)OC(=O)N(C)C)C"]
[4337,"23135-22-0","CNC(=O)ON=C(SC)C(=O)N(C)C","CNC(=O)ON=C(SC)C(=O)N(C)C",null,"CNC(=O)ON=C(SC)C(=O)N(C)C","CNC(=O)ON=C(SC)C(=O)N(C)C",null,"CNC(=O)ON=C(SC)C(=O)N(C)C","CNC(=O)ON=C(SC)C(=O)N(C)C",null,"CNC(=O)ON=C(SC)C(=O)N(C)C","CNC(=O)ON=C(SC)C(=O)N(C)C"]
[4338,"23146-04-5",{"$nulls":3},"Cn1c(=O)c2c(ncn2CCCO)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)CCCO)C)=O",{"$nulls":4},"Cn1c(=O)c2c(ncn2CCCO)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)CCCO)C)=O"]
[4339,"23184-66-9","CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC","CCCCOCN(C(=O)CCl)c1c(cccc1CC)CC",null,"CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC","CCCCOCN(C(=O)CCl)c1c(cccc1CC)CC",null,"CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC","CCCCOCN(C(=O)CCl)c1c(cccc1CC)CC",null,"CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC","CCCCOCN(C(=O)CCl)c1c(cccc1CC)CC"]
[4340,"23235-61-2","CCC(CO)(CO)COCC(CC)(CO)CO","CCC(CO)(CO)COCC(CC)(CO)CO",null,"CCC(CO)(CO)COCC(CC)(CO)CO","CCC(CO)(CO)COCC(CC)(CO)CO",null,"CCC(CO)(CO)COCC(CC)(CO)CO","CCC(CO)(CO)COCC(CC)(CO)CO",null,"CCC(CO)(CO)COCC(CC)(CO)CO","CCC(CO)(CO)COCC(CC)(CO)CO"]
[4341,"23422-53-9","CNC(=O)Oc1cccc(N=CN(C)C)c1","CNC(=O)Oc1cc(ccc1)N=CN(C)C","[Cl-](1), [H+](1)","CNC(=O)Oc1cccc(N=CN(C)C)c1","CNC(=O)Oc1cc(ccc1)N=CN(C)C","[Cl-](1), [H+](1)","CNC(=O)Oc1cccc(N=CN(C)C)c1","CNC(=O)Oc1cc(ccc1)N=CN(C)C","Cl(1)","CNC(=O)Oc1cccc(N=CN(C)C)c1","CNC(=O)Oc1cc(ccc1)N=CN(C)C","Cl(1)"]
[4342,"23505-41-1","CCOP(=S)(OCC)Oc1cc(C)nc(N(CC)CC)n1","CCOP(=S)(OCC)Oc1nc(nc(c1)C)N(CC)CC",null,"CCOP(=S)(OCC)Oc1cc(C)nc(N(CC)CC)n1","CCOP(=S)(OCC)Oc1nc(nc(c1)C)N(CC)CC",null,"CCOP(=S)(OCC)Oc1cc(C)nc(N(CC)CC)n1","CCOP(=S)(OCC)Oc1nc(nc(c1)C)N(CC)CC",null,"CCOP(=S)(OCC)Oc1cc(C)nc(N(CC)CC)n1","CCOP(=S)(OCC)Oc1nc(nc(c1)C)N(CC)CC"]
[4343,"23560-59-0","COP(=O)(OC)OC1=C(Cl)C2C=CCC12","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2",null,"COP(=O)(OC)OC1=C(Cl)C2C=CCC12","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2",null,"COP(=O)(OC)OC1=C(Cl)C2C=CCC12","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2",null,"COP(=O)(OC)OC1=C(Cl)C2C=CCC12","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2"]
[4344,"23564-05-8","COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC","COC(=O)NC(=S)Nc1c(cccc1)NC(=S)NC(=O)OC",null,"COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC","COC(=O)NC(=S)Nc1c(cccc1)NC(=S)NC(=O)OC",null,"COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC","COC(=O)NC(=S)Nc1c(cccc1)NC(=S)NC(=O)OC",null,"COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC","COC(=O)NC(=S)Nc1c(cccc1)NC(=S)NC(=O)OC"]
[4345,"23578-38-3","CC(C)(CCC(C)(C)CC(=O)O)CC(=O)O","CC(C)(CCC(C)(C)CC(=O)O)CC(=O)O",{"$nulls":4},"CC(C)(CCC(C)(C)CC(=O)O)CC(=O)O","CC(C)(CCC(C)(C)CC(=O)O)CC(=O)O",null,"CC(C)(CCC(C)(C)CC(=O)O)CC(=O)O","CC(C)(CCC(C)(C)CC(=O)O)CC(=O)O"]
[4346,"23597-82-2",{"$nulls":3},"CCCCCCOC(=O)c1cccnc1","CCCCCCOC(=O)c1cnccc1",null,"CCCCCCOC(=O)c1cccnc1","CCCCCCOC(=O)c1cnccc1",null,"CCCCCCOC(=O)c1cccnc1","CCCCCCOC(=O)c1cnccc1"]
[4347,"23605-74-5",{"$nulls":3},"O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O","O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O",{"$nulls":4},"O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O","O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O"]
[4348,"23687-23-2","CN(C)c1nc2c[nH]cnc-2n1","CN(C)c1nc2-c(n1)c[nH]cn2",null,"CN(C)c1nc2ncncc2[nH]1","CN(C)c1[nH]c2c(n1)ncnc2",null,"CN(C)c1nc2cncnc2[nH]1","CN(C)c1[nH]c2c(n1)cncn2",null,"CN(C)c1nc2cncnc2[nH]1","CN(C)c1[nH]c2c(n1)cncn2"]
[4349,"23767-00-2","Cc1ncc2nc(C)c(C)nc2n1","Cc1nc2c(cn1)nc(C)c(C)n2",{"$nulls":4},"Cc1ncc2nc(C)c(C)nc2n1","Cc1nc2c(cn1)nc(C)c(C)n2",null,"Cc1ncc2nc(C)c(C)nc2n1","Cc1nc2c(cn1)nc(C)c(C)n2"]
[4350,"23789-57-3","NC(=O)NN=CC(O)C(O)C(O)C(O)CO","NC(=O)NN=CC(O)C(O)C(O)C(O)CO",{"$nulls":4},"N=C(O)NN=CC(O)C(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)C(O)CO",null,"N=C(O)NN=CC(O)C(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)C(O)CO"]
[4351,"23792-61-2","O=[N+]([O-])c1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)S(=O)(=O)O"]
[4352,"23945-44-0","O=C(O)C1=CNCNC1","O=C(O)C=1CNCNC1",null,"O=C(O)c1c[nH]c(=O)[nH]c1=O","O=C(O)c1c([nH]c([nH]c1)=O)=O",{"$nulls":4},"O=C(O)c1cnc(O)nc1O","O=C(O)c1c(nc(nc1)O)O"]
[4353,"23950-58-5","C#CC(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1","C#CC(C)(C)NC(=O)c1cc(cc(c1)Cl)Cl",null,"C#CC(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1","C#CC(C)(C)NC(=O)c1cc(cc(c1)Cl)Cl",null,"C#CC(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1","C#CC(C)(C)NC(=O)c1cc(cc(c1)Cl)Cl",null,"C#CC(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1","C#CC(C)(C)NC(=O)c1cc(cc(c1)Cl)Cl"]
[4354,"24017-47-8","CCOP(=S)(OCC)Oc1ncn(-c2ccccc2)n1","CCOP(=S)(OCC)Oc1nn(cn1)-c2ccccc2",null,"CCOP(=S)(OCC)Oc1ncn(-c2ccccc2)n1","CCOP(=S)(OCC)Oc1nn(cn1)-c2ccccc2",null,"CCOP(=S)(OCC)Oc1ncn(-c2ccccc2)n1","CCOP(=S)(OCC)Oc1nn(cn1)-c2ccccc2",null,"CCOP(=S)(OCC)Oc1ncn(-c2ccccc2)n1","CCOP(=S)(OCC)Oc1nn(cn1)-c2ccccc2"]
[4355,"24018-57-3","CC1(C)OC(=O)c2cc3ccccc3cc21","CC1(c2c(C(O1)=O)cc3c(cccc3)c2)C",{"$nulls":4},"CC1(C)OC(=O)c2cc3ccccc3cc21","CC1(c2c(C(O1)=O)cc3c(cccc3)c2)C",null,"CC1(C)OC(=O)c2cc3ccccc3cc21","CC1(c2c(C(O1)=O)cc3c(cccc3)c2)C"]
[4356,"24093-81-0",{"$nulls":9},"COC(=O)c1cc(O)c(OC)c(O)c1","COC(=O)c1cc(c(c(c1)O)OC)O"]
[4357,"24106-05-6",{"$nulls":3},"CC(=O)Nc1ccc(Br)cc1C","CC(=O)Nc1c(cc(cc1)Br)C",{"$nulls":4},"CC(=O)Nc1ccc(Br)cc1C","CC(=O)Nc1c(cc(cc1)Br)C"]
[4358,"24151-93-7","CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C","CCCOP(=S)(OCCC)SCC(=O)N1C(CCCC1)C",null,"CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C","CCCOP(=S)(OCCC)SCC(=O)N1C(CCCC1)C",null,"CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C","CCCOP(=S)(OCCC)SCC(=O)N1C(CCCC1)C",null,"CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C","CCCOP(=S)(OCCC)SCC(=O)N1C(CCCC1)C"]
[4359,"24353-58-0",{"$nulls":3},"Cc1cccc(C)c1N(COCC(C)C)C(=O)CCl","Cc1c(c(ccc1)C)N(COCC(C)C)C(=O)CCl",{"$nulls":4},"Cc1cccc(C)c1N(COCC(C)C)C(=O)CCl","Cc1c(c(ccc1)C)N(COCC(C)C)C(=O)CCl"]
[4360,"24447-99-2","CNc1ccc(S(=O)(=O)O)cc1","CNc1ccc(cc1)S(=O)(=O)O",null,"CNc1ccc(S(=O)(=O)O)cc1","CNc1ccc(cc1)S(=O)(=O)O",null,"CNc1ccc(S(=O)(=O)O)cc1","CNc1ccc(cc1)S(=O)(=O)O",null,"CNc1ccc(S(=O)(=O)O)cc1","CNc1ccc(cc1)S(=O)(=O)O"]
[4361,"24487-40-9","N#CSCC(CSC#N)SC#N","N#CSCC(CSC#N)SC#N"]
[4362,"24579-73-5","CCCOC(=O)NCCCN(C)C","CCCOC(=O)NCCCN(C)C",null,"CCCOC(=O)NCCC[NH+](C)C","CCCOC(=O)NCCCN(C)C","[Cl-](1)","CCCOC(=O)NCCCN(C)C","CCCOC(=O)NCCCN(C)C",null,"CCCOC(=O)NCCCN(C)C","CCCOC(=O)NCCCN(C)C"]
[4363,"24691-76-7","CC1=C(C(=O)Nc2ccccc2)CCCO1","CC=1OCCCC1C(=O)Nc2ccccc2",null,"CC1=C(C(=O)Nc2ccccc2)CCCO1","CC=1OCCCC1C(=O)Nc2ccccc2",null,"CC1=C(C(=O)Nc2ccccc2)CCCO1","CC=1OCCCC1C(=O)Nc2ccccc2",null,"CC1=C(C(=O)Nc2ccccc2)CCCO1","CC=1OCCCC1C(=O)Nc2ccccc2"]
[4364,"24691-80-3","Cc1occc1C(=O)Nc1ccccc1","Cc1c(cco1)C(=O)Nc2ccccc2",null,"Cc1occc1C(=O)Nc1ccccc1","Cc1c(cco1)C(=O)Nc2ccccc2",null,"Cc1occc1C(=O)Nc1ccccc1","Cc1c(cco1)C(=O)Nc2ccccc2",null,"Cc1occc1C(=O)Nc1ccccc1","Cc1c(cco1)C(=O)Nc2ccccc2"]
[4365,"24767-93-9","CCCCC(CCC(=O)O)CC(=O)O","CCCCC(CCC(=O)O)CC(=O)O",{"$nulls":4},"CCCCC(CCC(=O)O)CC(=O)O","CCCCC(CCC(=O)O)CC(=O)O",null,"CCCCC(CCC(=O)O)CC(=O)O","CCCCC(CCC(=O)O)CC(=O)O"]
[4366,"24851-65-8","Cn1cnc2nccnc2c1=O","Cn1c(c2c(nc1)nccn2)=O",{"$nulls":4},"Cn1cnc2nccnc2c1=O","Cn1c(c2c(nc1)nccn2)=O",null,"Cn1cnc2nccnc2c1=O","Cn1c(c2c(nc1)nccn2)=O"]
[4367,"24851-98-7",{"$nulls":3},"CCCCCC1C(=O)CCC1CC(=O)OC","CCCCCC1C(CCC1=O)CC(=O)OC",{"$nulls":4},"CCCCCC1C(=O)CCC1CC(=O)OC","CCCCCC1C(CCC1=O)CC(=O)OC"]
[4368,"24863-39-6","O=c1nc[nH]c2nc(-c3ccccc3)c(-c3ccccc3)nc12","O=c1c2c([nH]cn1)nc(-c3ccccc3)c(-c4ccccc4)n2",{"$nulls":4},"Oc1ncnc2nc(-c3ccccc3)c(-c3ccccc3)nc12","Oc1c2c(ncn1)nc(-c3ccccc3)c(-c4ccccc4)n2",null,"Oc1ncnc2nc(-c3ccccc3)c(-c3ccccc3)nc12","Oc1c2c(ncn1)nc(-c3ccccc3)c(-c4ccccc4)n2"]
[4369,"24885-45-8","Cc1cccc(I)c1O","Cc1c(c(ccc1)I)O",{"$nulls":4},"Cc1cccc(I)c1O","Cc1c(c(ccc1)I)O",null,"Cc1cccc(I)c1O","Cc1c(c(ccc1)I)O"]
[4370,"24910-68-7",{"$nulls":6},"Clc1cc(Cl)cc(Oc2ccccc2)c1","Clc1cc(cc(c1)Cl)Oc2ccccc2",null,"Clc1cc(Cl)cc(Oc2ccccc2)c1","Clc1cc(cc(c1)Cl)Oc2ccccc2"]
[4371,"24910-69-8",{"$nulls":3},"Clc1ccc(Cl)c(Oc2ccccc2)c1","Clc1cc(c(cc1)Cl)Oc2ccccc2",null,"Clc1ccc(Cl)c(Oc2ccccc2)c1","Clc1cc(c(cc1)Cl)Oc2ccccc2",null,"Clc1ccc(Cl)c(Oc2ccccc2)c1","Clc1cc(c(cc1)Cl)Oc2ccccc2"]
[4372,"24910-73-4",{"$nulls":3},"Clc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1","Clc1ccc(cc1)Oc2cc(cc(c2)Cl)Cl",null,"Clc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1","Clc1ccc(cc1)Oc2cc(cc(c2)Cl)Cl",null,"Clc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1","Clc1ccc(cc1)Oc2cc(cc(c2)Cl)Cl"]
[4373,"24934-91-6","CCOP(=S)(OCC)SCCl","CCOP(=S)(OCC)SCCl",null,"CCOP(=S)(OCC)SCCl","CCOP(=S)(OCC)SCCl",null,"CCOP(=S)(OCC)SCCl","CCOP(=S)(OCC)SCCl",null,"CCOP(=S)(OCC)SCCl","CCOP(=S)(OCC)SCCl"]
[4374,"25013-15-4","C=Cc1ccccc1C","C=Cc1c(cccc1)C",null,"C=Cc1cccc(C)c1","C=Cc1cc(ccc1)C"]
[4375,"25057-89-0","CC(C)N1C(=O)c2ccccc2NS1(=O)=O","CC(C)N1S(Nc2c(C1=O)cccc2)(=O)=O",null,"CC(C)N1C(=O)c2ccccc2NS1(=O)=O","CC(C)N1S(Nc2c(C1=O)cccc2)(=O)=O",null,"CC(C)N1C(=O)c2ccccc2NS1(=O)=O","CC(C)N1S(Nc2c(C1=O)cccc2)(=O)=O",null,"CC(C)N1C(=O)c2ccccc2NS1(=O)=O","CC(C)N1S(Nc2c(C1=O)cccc2)(=O)=O"]
[4376,"25059-80-7","CCOC(=O)Cn1c(=O)sc2cccc(Cl)c21","CCOC(=O)Cn1c2c(sc1=O)cccc2Cl",null,"CCOC(=O)Cn1c(=O)sc2cccc(Cl)c21","CCOC(=O)Cn1c2c(sc1=O)cccc2Cl",null,"CCOC(=O)Cn1c(=O)sc2cccc(Cl)c21","CCOC(=O)Cn1c2c(sc1=O)cccc2Cl",null,"CCOC(=O)Cn1c(=O)sc2cccc(Cl)c21","CCOC(=O)Cn1c2c(sc1=O)cccc2Cl"]
[4377,"25141-25-7","O=C(O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,"O=C(O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,"O=C(O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,"O=C(O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]"]
[4378,"25154-52-3",{"$nulls":3},"CCCCCCCCCc1ccccc1[O-]","CCCCCCCCCc1c(cccc1)O","[K+](1)"]
[4379,"25154-54-5"]
[4380,"25155-15-1",{"$nulls":3},"Cc1ccccc1C(C)C","Cc1c(cccc1)C(C)C"]
[4381,"25167-80-0","Oc1ccccc1Cl","Oc1c(cccc1)Cl",null,"Oc1ccccc1Cl","Oc1c(cccc1)Cl"]
[4382,"25168-05-2","Cc1ccccc1Cl","Cc1c(cccc1)Cl",null,"ClCc1ccccc1","ClCc1ccccc1",null,"*Cl","*Cl","Cc1ccccc1(1)","*Cl","*Cl","Cc1ccccc1(1)"]
[4383,"25168-26-7",{"$nulls":3},"CCCCC(CC)COC(=O)COc1ccc(Cl)cc1Cl","CCCCC(CC)COC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},"*C","*C","CCCCCCCOC(=O)COc1ccc(Cl)cc1Cl(1)"]
[4384,"25264-93-1",{"$nulls":3},"CC=CCCC","CC=CCCC"]
[4385,"25265-71-8","CC(O)COC(C)CO","CC(O)COC(C)CO",null,"CCC(O)OC(O)CC","CCC(O)OC(O)CC"]
[4386,"25267-27-0","CCCCI","CCCCI",null,"CCCCI","CCCCI"]
[4387,"25311-71-1","CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C","CCOP(=S)(NC(C)C)Oc1c(cccc1)C(=O)OC(C)C",null,"CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C","CCOP(=S)(NC(C)C)Oc1c(cccc1)C(=O)OC(C)C",null,"CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C","CCOP(=S)(NC(C)C)Oc1c(cccc1)C(=O)OC(C)C",null,"CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C","CCOP(=S)(NC(C)C)Oc1c(cccc1)C(=O)OC(C)C"]
[4388,"25315-34-8",{"$nulls":6},"CCOC(=O)C(=Cc1ccccc1)N=CO","CCOC(=O)C(=Cc1ccccc1)N=CO",null,"CCOC(=O)C(=Cc1ccccc1)N=CO","CCOC(=O)C(=Cc1ccccc1)N=CO"]
[4389,"25318-84-7","NS(=O)(=O)c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1","NS(=O)(=O)c1ccc(cc1)NC2C(C(C(C(O2)CO)O)O)O"]
[4390,"25319-90-8","CCSC(=O)COc1ccc(Cl)cc1C","CCSC(=O)COc1c(cc(cc1)Cl)C",null,"CCSC(=O)COc1ccc(Cl)cc1C","CCSC(=O)COc1c(cc(cc1)Cl)C",null,"CCSC(=O)COc1ccc(Cl)cc1C","CCSC(=O)COc1c(cc(cc1)Cl)C",null,"CCSC(=O)COc1ccc(Cl)cc1C","CCSC(=O)COc1c(cc(cc1)Cl)C"]
[4391,"25321-09-9","CC(C)c1ccccc1C(C)C","CC(C)c1c(cccc1)C(C)C",null,"CC(C)c1ccccc1C(C)C","CC(C)c1c(cccc1)C(C)C"]
[4392,"25321-14-6","Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-]","Cc1c(c(ccc1)[N+](=O)[O-])[N+](=O)[O-]",null,"Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]"]
[4393,"25321-22-6","Clc1ccccc1Cl","Clc1c(cccc1)Cl",null,"Clc1ccccc1Cl","Clc1c(cccc1)Cl"]
[4394,"25322-20-7"]
[4395,"25323-89-1","CC(Cl)(Cl)Cl","CC(Cl)(Cl)Cl",{"$nulls":4},"CC(Cl)(Cl)Cl","CC(Cl)(Cl)Cl"]
[4396,"25340-17-4","CCc1ccccc1CC","CCc1c(cccc1)CC",null,"CCc1ccccc1CC","CCc1c(cccc1)CC"]
[4397,"25355-34-4",{"$nulls":3},"CC(=O)C(=NO)c1ccccc1","CC(=O)C(=NO)c1ccccc1",{"$nulls":4},"CC(=O)C(=NO)c1ccccc1","CC(=O)C(=NO)c1ccccc1"]
[4398,"25366-23-8","CNC(=O)N(C)c1nnc(C(F)(F)F)s1","CNC(=O)N(C)c1sc(nn1)C(F)(F)F",null,"CNC(=O)N(C)c1nnc(C(F)(F)F)s1","CNC(=O)N(C)c1sc(nn1)C(F)(F)F",null,"CNC(=O)N(C)c1nnc(C(F)(F)F)s1","CNC(=O)N(C)c1sc(nn1)C(F)(F)F",null,"CNC(=O)N(C)c1nnc(C(F)(F)F)s1","CNC(=O)N(C)c1sc(nn1)C(F)(F)F"]
[4399,"25429-23-6","BrC=CBr","BrC=CBr",null,"BrC=CBr","BrC=CBr",null,"BrC=CBr","BrC=CBr"]
[4400,"25429-38-3","O=C(O)C(O)=Cc1ccccc1","O=C(O)C(O)=Cc1ccccc1",null,"O=C(O)C=Cc1cccc(O)c1","O=C(O)C=Cc1cc(ccc1)O",null,"O=C(O)C=Cc1ccc(O)cc1","O=C(O)C=Cc1ccc(cc1)O"]
[4401,"25498-49-1","COCC(C)OCC(C)OC(C)CO","COCC(C)OCC(C)OC(C)CO",null,"COCC(C)OCC(C)OC(C)CO","COCC(C)OCC(C)OC(C)CO"]
[4402,"25512-42-9","Clc1cccc(-c2ccccc2)c1Cl","Clc1c(c(ccc1)-c2ccccc2)Cl",null,"Clc1cccc(-c2ccccc2)c1Cl","Clc1c(c(ccc1)-c2ccccc2)Cl"]
[4403,"25550-14-5","CCc1ccccc1C","CCc1c(cccc1)C",null,"CCc1ccccc1C","CCc1c(cccc1)C"]
[4404,"25550-58-7","O=[N+]([O-])c1cccc(O)c1[N+](=O)[O-]","O=[N+]([O-])c1c(c(ccc1)O)[N+](=O)[O-]",{"$nulls":4},"O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)O)[N+](=O)[O-]"]
[4405,"25569-80-6","Clc1cccc(-c2ccccc2Cl)c1","Clc1cc(ccc1)-c2c(cccc2)Cl",null,"Clc1cccc(-c2ccccc2Cl)c1","Clc1cc(ccc1)-c2c(cccc2)Cl",null,"Clc1cccc(-c2ccccc2Cl)c1","Clc1cc(ccc1)-c2c(cccc2)Cl",null,"Clc1cccc(-c2ccccc2Cl)c1","Clc1cc(ccc1)-c2c(cccc2)Cl"]
[4406,"25620-62-6","CC(Br)Br","CC(Br)Br",null,"CC(Br)Br","CC(Br)Br"]
[4407,"25640-78-2","CC(C)c1ccccc1-c1ccccc1","CC(C)c1c(cccc1)-c2ccccc2",null,"CC(C)c1ccc(-c2ccccc2)cc1","CC(C)c1ccc(cc1)-c2ccccc2"]
[4408,"25646-09-7"]
[4409,"25735-29-9","CCC(Cl)(Cl)Cl","CCC(Cl)(Cl)Cl",null,"CCC(Cl)(Cl)Cl","CCC(Cl)(Cl)Cl",null,"ClCC(Cl)CCl","ClCC(Cl)CCl"]
[4410,"25917-35-5","CCCCCCO","CCCCCCO",null,"CCCCCCO","CCCCCCO"]
[4411,"25954-13-6","CCOP(=O)([O-])C(N)=O","CCOP(=O)(O)C(N)=O","[NH4+](1)","CCOP(=O)([O-])C(N)=O","CCOP(=O)(O)C(N)=O","[NH4+](1)","CCOP(=O)([O-])C(N)=O","CCOP(=O)(O)C(N)=O","[NH4+](1)","CCOP(=O)([O-])C(N)=O","CCOP(=O)(O)C(N)=O","[NH4+](1)"]
[4412,"26002-80-2","CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(ccc2)Oc3ccccc3)(C)C",null,"CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(ccc2)Oc3ccccc3)(C)C",null,"CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(ccc2)Oc3ccccc3)(C)C",null,"CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(ccc2)Oc3ccccc3)(C)C"]
[4413,"26037-60-5","CSC1=CC(=O)c2ccccc2C1=O","CSC=1C(c2c(C(C1)=O)cccc2)=O",null,"CSC1=CC(=O)c2ccccc2C1=O","CSC=1C(c2c(C(C1)=O)cccc2)=O",null,"CSC1=CC(=O)c2ccccc2C1=O","CSC=1C(c2c(C(C1)=O)cccc2)=O",null,"CSC1=CC(=O)c2ccccc2C1=O","CSC=1C(c2c(C(C1)=O)cccc2)=O"]
[4414,"26087-47-8",{"$nulls":3},"CC(C)OP(=O)(OC(C)C)SCc1ccccc1","CC(C)OP(=O)(OC(C)C)SCc1ccccc1","IBP(1)"]
[4415,"26225-79-6","CCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C","CCOC1C(c2c(O1)ccc(OS(C)(=O)=O)c2)(C)C",null,"CCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C","CCOC1C(c2c(O1)ccc(OS(C)(=O)=O)c2)(C)C",null,"CCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C","CCOC1C(c2c(O1)ccc(OS(C)(=O)=O)c2)(C)C",null,"CCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C","CCOC1C(c2c(O1)ccc(OS(C)(=O)=O)c2)(C)C"]
[4416,"26249-12-7","Brc1ccccc1Br","Brc1c(cccc1)Br",null,"Brc1ccccc1Br","Brc1c(cccc1)Br",null,"Brc1ccc(Br)cc1","Brc1ccc(cc1)Br"]
[4417,"26259-45-0","CCNc1nc(NC(C)CC)nc(OC)n1","CCNc1nc(nc(n1)NC(C)CC)OC",null,"CCNc1nc(NC(C)CC)nc(OC)n1","CCNc1nc(nc(n1)NC(C)CC)OC",null,"CCNc1nc(NC(C)CC)nc(OC)n1","CCNc1nc(nc(n1)NC(C)CC)OC",null,"CCNc1nc(NC(C)CC)nc(OC)n1","CCNc1nc(nc(n1)NC(C)CC)OC"]
[4418,"26399-36-0","CCCN(CC1CC1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",null,"CCCN(CC1CC1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",null,"CCCN(CC1CC1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",null,"CCCN(CC1CC1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]"]
[4419,"26419-73-8","CNC(=O)ON=CC1(C)SCC(C)S1","CNC(=O)ON=CC1(SC(CS1)C)C",null,"CNC(=O)ON=CC1(C)SCC(C)S1","CNC(=O)ON=CC1(SC(CS1)C)C",null,"CNC(=O)ON=CC1(C)SCC(C)S1","CNC(=O)ON=CC1(SC(CS1)C)C",null,"CNC(=O)ON=CC1(C)SCC(C)S1","CNC(=O)ON=CC1(SC(CS1)C)C"]
[4420,"26444-49-5","Cc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1","Cc1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3ccccc3",null,"Cc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1","Cc1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3ccccc3",null,"*C","*C","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3(1)","*C","*C","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3(1)"]
[4421,"26446-73-1","Cc1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1C","Cc1c(cccc1)OP(=O)(Oc2ccccc2)Oc3c(cccc3)C",null,"Cc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2C)cc1","Cc1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3c(cccc3)C"]
[4422,"26530-20-1","CCCCCCCCn1sccc1=O","CCCCCCCCn1c(ccs1)=O",null,"CCCCCCCCn1sccc1=O","CCCCCCCCn1c(ccs1)=O",null,"CCCCCCCCn1sccc1=O","CCCCCCCCn1c(ccs1)=O",null,"CCCCCCCCn1sccc1=O","CCCCCCCCn1c(ccs1)=O"]
[4423,"26601-64-9","Clc1ccccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl"]
[4424,"26628-97-7","CCOP(=O)(OCC)OCC(C)C","CCOP(=O)(OCC)OCC(C)C",{"$nulls":4},"CCOP(=O)(OCC)OCC(C)C","CCOP(=O)(OCC)OCC(C)C",null,"CCOP(=O)(OCC)OCC(C)C","CCOP(=O)(OCC)OCC(C)C"]
[4425,"26638-19-7","CCC(Cl)Cl","CCC(Cl)Cl"]
[4426,"26675-46-7","FC(F)OC(Cl)C(F)(F)F","FC(F)OC(Cl)C(F)(F)F",null,"FC(F)OC(Cl)C(F)(F)F","FC(F)OC(Cl)C(F)(F)F",null,"FC(F)OC(Cl)C(F)(F)F","FC(F)OC(Cl)C(F)(F)F",null,"FC(F)OC(Cl)C(F)(F)F","FC(F)OC(Cl)C(F)(F)F"]
[4427,"26717-32-8","CC(=O)C(=Cc1ccccc1)CC(=O)O","CC(=O)C(=Cc1ccccc1)CC(=O)O",{"$nulls":4},"CC(=O)C(=Cc1ccccc1)CC(=O)O","CC(=O)C(=Cc1ccccc1)CC(=O)O",null,"CC(=O)C(=Cc1ccccc1)CC(=O)O","CC(=O)C(=Cc1ccccc1)CC(=O)O"]
[4428,"26718-65-0","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",null,"COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",null,"COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",null,"COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC"]
[4429,"26763-63-3","NC(=O)N(c1ccccc1)c1ccccc1","NC(=O)N(c1ccccc1)c2ccccc2",null,"NC(=O)N(c1ccccc1)c1ccccc1","NC(=O)N(c1ccccc1)c2ccccc2",null,"O=C(Nc1ccccc1)Nc1ccccc1","O=C(Nc1ccccc1)Nc2ccccc2"]
[4430,"26767-88-4","NCC(C(=O)O)C(=O)O","NCC(C(=O)O)C(=O)O"]
[4431,"26786-28-7","O=c1nc(-c2ccccc2)[nH]cc1Br","O=c1c(c[nH]c(n1)-c2ccccc2)Br",{"$nulls":7},"O=c1[nH]c(-c2ccccc2)ncc1Br","O=c1c(cnc([nH]1)-c2ccccc2)Br"]
[4432,"26856-30-4","C#CCCCC","C#CCCCC",null,"C#CCCCC","C#CCCCC"]
[4433,"26914-33-0","Clc1cc(-c2ccccc2)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2ccccc2)Cl)Cl)Cl"]
[4434,"26952-21-6","CC(C)CCCCCO","CC(C)CCCCCO"]
[4435,"26952-23-8","CC=C(Cl)Cl","CC=C(Cl)Cl"]
[4436,"26962-26-5",{"$nulls":3},"CCCC(=O)OCCOCCOCCOC(=O)CCC","CCCC(=O)OCCOCCOCCOC(=O)CCC",{"$nulls":4},"CCCC(=O)OCCOCCOCCOC(=O)CCC","CCCC(=O)OCCOCCOCCOC(=O)CCC"]
[4437,"26972-01-0","O=C(NC(=O)c1cccnc1)Nc1ccccc1","O=C(NC(=O)c1cnccc1)Nc2ccccc2",{"$nulls":4},"OC(=Nc1ccccc1)N=C(O)c1cccnc1","OC(=Nc1ccccc1)N=C(O)c2cnccc2",null,"OC(=Nc1ccccc1)N=C(O)c1cccnc1","OC(=Nc1ccccc1)N=C(O)c2cnccc2"]
[4438,"27038-96-6",{"$nulls":3},"Cc1nc2c(=O)n(C)c(=O)n(C)c2n1C","Cc1n(c2c(n1)c(=O)n(C)c(=O)n2C)C",{"$nulls":4},"Cc1nc2c(=O)n(C)c(=O)n(C)c2n1C","Cc1n(c2c(n1)c(=O)n(C)c(=O)n2C)C"]
[4439,"27138-31-4","CC(O)COC(C)CO","CC(O)COC(C)CO","OC(=O)c1ccccc1(2)","O=C(OCCCOCCCOC(=O)c1ccccc1)c1ccccc1","O=C(OCCCOCCCOC(=O)c1ccccc1)c2ccccc2",null,"CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c1ccccc1","CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c2ccccc2",null,"CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c1ccccc1","CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c2ccccc2"]
[4440,"27147-69-9","Nc1ccc(S(=O)(=O)c2ccccc2N)cc1","Nc1ccc(cc1)S(=O)(=O)c2c(cccc2)N",{"$nulls":4},"Nc1ccc(S(=O)(=O)c2ccccc2N)cc1","Nc1ccc(cc1)S(=O)(=O)c2c(cccc2)N",null,"Nc1ccc(S(=O)(=O)c2ccccc2N)cc1","Nc1ccc(cc1)S(=O)(=O)c2c(cccc2)N"]
[4441,"27154-44-5","ClC1(Cl)CCCC(Cl)(Cl)C1(Cl)Cl","ClC1(C(C(CCC1)(Cl)Cl)(Cl)Cl)Cl",null,"ClC1CC(Cl)(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1)(Cl)Cl)Cl)Cl)Cl","ClC1CCC(Cl)(Cl)C(Cl)C1(Cl)Cl(1), ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl(1)"]
[4442,"27178-16-1","CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C","CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C",null,"CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C","CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C"]
[4443,"27196-00-5","CCCCCCCCCCCCCCO","CCCCCCCCCCCCCCO",null,"CCCCCCCCCCC(O)CCC","CCCCCCCCCCC(O)CCC"]
[4444,"27314-13-2","CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl","CNc1c(c(n(nc1)-c2cc(ccc2)C(F)(F)F)=O)Cl",null,"CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl","CNc1c(c(n(nc1)-c2cc(ccc2)C(F)(F)F)=O)Cl",null,"CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl","CNc1c(c(n(nc1)-c2cc(ccc2)C(F)(F)F)=O)Cl",null,"CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl","CNc1c(c(n(nc1)-c2cc(ccc2)C(F)(F)F)=O)Cl"]
[4445,"27321-61-5",{"$nulls":3},"O=[N+]([O-])OCC(O)CO","O=[N+]([O-])OCC(O)CO"]
[4446,"27355-22-2","O=C1OC(Cl)(Cl)c2c1ccc(Cl)c2Cl","O=C1c2c(C(O1)(Cl)Cl)c(c(cc2)Cl)Cl",null,"O=C1OCc2c(Cl)c(Cl)c(Cl)c(Cl)c21","O=C1c2c(CO1)c(Cl)c(Cl)c(Cl)c2Cl",null,"O=C1OCc2c(Cl)c(Cl)c(Cl)c(Cl)c21","O=C1c2c(CO1)c(Cl)c(Cl)c(Cl)c2Cl",null,"O=C1OCc2c(Cl)c(Cl)c(Cl)c(Cl)c21","O=C1c2c(CO1)c(Cl)c(Cl)c(Cl)c2Cl"]
[4447,"27512-72-7","CCOC(=O)Cc1[nH]nc2ccc(Cl)cc12","CCOC(=O)Cc1c2c(n[nH]1)ccc(Cl)c2",null,"CCOC(=O)Cc1[nH]nc2ccc(Cl)cc12","CCOC(=O)Cc1c2c(n[nH]1)ccc(Cl)c2",null,"CCOC(=O)Cc1[nH]nc2ccc(Cl)cc12","CCOC(=O)Cc1c2c(n[nH]1)ccc(Cl)c2",null,"CCOC(=O)Cc1[nH]nc2ccc(Cl)cc12","CCOC(=O)Cc1c2c(n[nH]1)ccc(Cl)c2"]
[4448,"27541-88-4","O=C1C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c2ccccc21","O=C1c2c(C(C(=C1Cl)NC(=O)C(Cl)Cl)=O)cccc2",null,"O=C1C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c2ccccc21","O=C1c2c(C(C(=C1Cl)NC(=O)C(Cl)Cl)=O)cccc2",null,"O=C1C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c2ccccc21","O=C1c2c(C(C(=C1Cl)NC(=O)C(Cl)Cl)=O)cccc2",null,"O=C1C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c2ccccc21","O=C1c2c(C(C(=C1Cl)NC(=O)C(Cl)Cl)=O)cccc2"]
[4449,"27554-26-3","CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C","CC(C)CCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC(C)C",null,"CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C","CC(C)CCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC(C)C"]
[4450,"27563-65-1","O=C(O)c1cccc(Cl)c1C(=O)O","O=C(O)c1c(c(ccc1)Cl)C(=O)O",null,"O=C(O)c1cccc(Cl)c1C(=O)O","O=C(O)c1c(c(ccc1)Cl)C(=O)O"]
[4451,"27605-76-1","C=CCOC1=NS(=O)(=O)c2ccccc21","C=CCOC=1c2c(S(N1)(=O)=O)cccc2",null,"C=CCOC1=NS(=O)(=O)c2ccccc21","C=CCOC=1c2c(S(N1)(=O)=O)cccc2",null,"C=CCOC1=NS(=O)(=O)c2ccccc21","C=CCOC=1c2c(S(N1)(=O)=O)cccc2",null,"C=CCOC1=NS(=O)(=O)c2ccccc21","C=CCOC=1c2c(S(N1)(=O)=O)cccc2"]
[4452,"27762-78-3",{"$nulls":3},"CCOC(C)C(=O)C(O)O","CCOC(C)C(=O)C(O)O"]
[4453,"27858-07-7","Brc1ccc(-c2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br","Brc1c(c(c(cc1)-c2c(c(c(c(c2Br)Br)Br)Br)Br)Br)Br",null,"Brc1ccc(-c2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br","Brc1c(c(c(cc1)-c2c(c(c(c(c2Br)Br)Br)Br)Br)Br)Br"]
[4454,"27899-21-4","CCC(CC(CC)C(=O)O)C(=O)O","CCC(CC(CC)C(=O)O)C(=O)O",{"$nulls":4},"CCC(CC(CC)C(=O)O)C(=O)O","CCC(CC(CC)C(=O)O)C(=O)O",null,"CCC(CC(CC)C(=O)O)C(=O)O","CCC(CC(CC)C(=O)O)C(=O)O"]
[4455,"28022-64-2","Cc1cc(=S)n(C)n1-c1ccccc1","Cc1n(n(c(c1)=S)C)-c2ccccc2"]
[4456,"28108-99-8",{"$nulls":3},"CC(C)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1","CC(C)c1c(cccc1)OP(=O)(Oc2ccccc2)Oc3ccccc3",null,"*C(C)C","*C(C)C","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3(1)","*C(C)C","*C(C)C","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3(1)"]
[4457,"28128-19-0","S=c1[nH]cc2ncnc-2[nH]1","S=c1[nH]c2-c(c[nH]1)ncn2",null,"S=c1ncc2[nH]cnc2[nH]1","S=c1[nH]c2c(cn1)[nH]cn2",null,"Sc1ncc2ncnc-2[nH]1","Sc1[nH]c2-c(cn1)ncn2",null,"Sc1ncc2ncnc-2[nH]1","Sc1[nH]c2-c(cn1)ncn2"]
[4458,"28174-58-5","O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1-c1ccccc1","O=[N+]([O-])c1c(c(c(cc1)O)[N+](=O)[O-])-c2ccccc2",{"$nulls":4},"O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1-c1ccccc1","O=[N+]([O-])c1c(c(c(cc1)O)[N+](=O)[O-])-c2ccccc2",null,"O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1-c1ccccc1","O=[N+]([O-])c1c(c(c(cc1)O)[N+](=O)[O-])-c2ccccc2"]
[4459,"28217-97-2","Cc1cc(Cl)ccc1NC(=S)N(C)C","Cc1c(ccc(c1)Cl)NC(=S)N(C)C",null,"Cc1cc(Cl)ccc1NC(=S)N(C)C","Cc1c(ccc(c1)Cl)NC(=S)N(C)C",null,"Cc1cc(Cl)ccc1NC(=S)N(C)C","Cc1c(ccc(c1)Cl)NC(=S)N(C)C",null,"Cc1cc(Cl)ccc1NC(=S)N(C)C","Cc1c(ccc(c1)Cl)NC(=S)N(C)C"]
[4460,"28249-77-6","CCN(CC)C(=O)SCc1ccc(Cl)cc1","CCN(CC)C(=O)SCc1ccc(cc1)Cl",null,"CCN(CC)C(=O)SCc1ccc(Cl)cc1","CCN(CC)C(=O)SCc1ccc(cc1)Cl",null,"CCN(CC)C(=O)SCc1ccc(Cl)cc1","CCN(CC)C(=O)SCc1ccc(cc1)Cl",null,"CCN(CC)C(=O)SCc1ccc(Cl)cc1","CCN(CC)C(=O)SCc1ccc(cc1)Cl"]
[4461,"28260-61-9","O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1[N+](=O)[O-]","O=[N+]([O-])c1c(c(c(cc1)Cl)[N+](=O)[O-])[N+](=O)[O-]",null,"O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1[N+](=O)[O-]","O=[N+]([O-])c1c(c(c(cc1)Cl)[N+](=O)[O-])[N+](=O)[O-]"]
[4462,"28419-69-4",{"$nulls":3},"Clc1cccc(Cl)c1Oc1ccccc1","Clc1c(c(ccc1)Cl)Oc2ccccc2",null,"Clc1cccc(Cl)c1Oc1ccccc1","Clc1c(c(ccc1)Cl)Oc2ccccc2",null,"Clc1cccc(Cl)c1Oc1ccccc1","Clc1c(c(ccc1)Cl)Oc2ccccc2"]
[4463,"28434-01-7","CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C",null,"CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C",null,"CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C",null,"CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C"]
[4464,"28463-60-7","O=C(O)C1CCC(C(=O)O)SS1","O=C(O)C1SSC(CC1)C(=O)O",{"$nulls":4},"O=C(O)C1CCC(C(=O)O)SS1","O=C(O)C1SSC(CC1)C(=O)O",null,"O=C(O)C1CCC(C(=O)O)SS1","O=C(O)C1SSC(CC1)C(=O)O"]
[4465,"28495-88-7","Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O","Cn1c([nH]c(c(c1)[N+](=O)[O-])=O)=O",{"$nulls":4},"Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O","Cn1c([nH]c(c(c1)[N+](=O)[O-])=O)=O",null,"Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O","Cn1c([nH]c(c(c1)[N+](=O)[O-])=O)=O"]
[4466,"28553-12-0","CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C","CC(C)CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCC(C)C",null,"CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C","CC(C)CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCC(C)C",null,"*C","*C","C*(1), CCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC(1)","*C","*C","C*(1), CCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC(1)"]
[4467,"28587-41-9",{"$nulls":9},"CC(=O)C1CC(C(=O)O)C1(C)C","CC(=O)C1C(C(C1)C(=O)O)(C)C"]
[4468,"28587-42-0"]
[4469,"28779-08-0","Brc1cccc(Br)c1Br","Brc1c(c(ccc1)Br)Br",null,"Brc1cccc(Br)c1Br","Brc1c(c(ccc1)Br)Br"]
[4470,"29016-74-8","O=C(O)c1cc(Cl)cc(C(=O)O)c1C(=O)O","O=C(O)c1c(c(cc(c1)Cl)C(=O)O)C(=O)O"]
[4471,"29063-28-3",{"$nulls":3},"CCCCCC(O)CC","CCCCCC(O)CC"]
[4472,"29091-05-2","CCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]","CCN(CC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]",null,"CCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]","CCN(CC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]",null,"CCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]","CCN(CC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]",null,"CCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]","CCN(CC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]"]
[4473,"29091-21-2","CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]","CCCN(CCC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]",null,"CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]","CCCN(CCC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]",null,"CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]","CCCN(CCC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]",null,"CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]","CCCN(CCC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]"]
[4474,"29104-30-1","CCN(OC(=O)c1ccccc1)C(=O)c1c(OC)ccc(Cl)c1OC","CCN(OC(=O)c1ccccc1)C(=O)c2c(c(ccc2OC)Cl)OC",null,"CCN(OC(=O)c1ccccc1)C(=O)c1c(OC)ccc(Cl)c1OC","CCN(OC(=O)c1ccccc1)C(=O)c2c(c(ccc2OC)Cl)OC",null,"CCON=C(OC(=O)c1ccccc1)c1c(OC)ccc(Cl)c1OC","CCON=C(OC(=O)c1ccccc1)c2c(c(ccc2OC)Cl)OC",null,"CCON=C(OC(=O)c1ccccc1)c1c(OC)ccc(Cl)c1OC","CCON=C(OC(=O)c1ccccc1)c2c(c(ccc2OC)Cl)OC"]
[4475,"29122-68-7","CC(C)NCC(O)COc1ccc(CC(N)=O)cc1","CC(C)NCC(O)COc1ccc(cc1)CC(N)=O",null,"CC(C)NCC(O)COc1ccc(CC(N)=O)cc1","CC(C)NCC(O)COc1ccc(cc1)CC(N)=O",null,"CC(C)NCC(O)COc1ccc(CC(N)=O)cc1","CC(C)NCC(O)COc1ccc(cc1)CC(N)=O",null,"CC(C)NCC(O)COc1ccc(CC(N)=O)cc1","CC(C)NCC(O)COc1ccc(cc1)CC(N)=O"]
[4476,"29141-71-7","CCC(CC)(C(N)=O)C(N)=O","CCC(CC)(C(N)=O)C(N)=O",null,"CCC(CC)(C(N)=O)C(N)=O","CCC(CC)(C(N)=O)C(N)=O",null,"CCC(CC)(C(N)=O)C(N)=O","CCC(CC)(C(N)=O)C(N)=O",null,"CCC(CC)(C(N)=O)C(N)=O","CCC(CC)(C(N)=O)C(N)=O"]
[4477,"29173-31-7","COC(=O)N(C)C(=O)CSP(C)(=S)OC","COC(=O)N(C)C(=O)CSP(C)(=S)OC",null,"COC(=O)N(C)C(=O)CSP(C)(=S)OC","COC(=O)N(C)C(=O)CSP(C)(=S)OC",{"$nulls":4},"COC(=O)N(C)C(=O)CSP(C)(=S)OC","COC(=O)N(C)C(=O)CSP(C)(=S)OC"]
[4478,"29232-93-7","CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1","CCN(CC)c1nc(cc(n1)C)OP(=S)(OC)OC",null,"CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1","CCN(CC)c1nc(cc(n1)C)OP(=S)(OC)OC",null,"CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1","CCN(CC)c1nc(cc(n1)C)OP(=S)(OC)OC",null,"CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1","CCN(CC)c1nc(cc(n1)C)OP(=S)(OC)OC"]
[4479,"29253-36-9","CC(C)c1cccc2ccccc12","CC(C)c1c2c(ccc1)cccc2",null,"CC(C)c1cccc2ccccc12","CC(C)c1c2c(ccc1)cccc2"]
[4480,"29354-98-1","CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCO",null,"CCCCCCCCCCCCC(O)CCC","CCCCCCCCCCCCC(O)CCC",null,"CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCO"]
[4481,"29415-97-2",{"$nulls":9},"COC(=O)c1ccc(O)c(Br)c1","COC(=O)c1cc(c(cc1)O)Br"]
[4482,"29446-15-9","Clc1cc2c(cc1Cl)Oc1ccccc1O2","Clc1c(cc2c(c1)Oc3c(O2)cccc3)Cl",null,"O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F","O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F","[Li+](1)","Clc1cc2c(cc1Cl)Oc1ccccc1O2","Clc1c(cc2c(c1)Oc3c(O2)cccc3)Cl",null,"Clc1cc2c(cc1Cl)Oc1ccccc1O2","Clc1c(cc2c(c1)Oc3c(O2)cccc3)Cl"]
[4483,"29475-97-6","NC(CSSc1ccccc1)C(=O)O","NC(CSSc1ccccc1)C(=O)O"]
[4484,"29482-83-5"]
[4485,"29556-17-0","O=C(c1cccc2ccccc12)N(O)c1ccccc1","O=C(c1c2c(ccc1)cccc2)N(O)c3ccccc3",{"$nulls":4},"O=C(c1cccc2ccccc12)N(O)c1ccccc1","O=C(c1c2c(ccc1)cccc2)N(O)c3ccccc3"]
[4486,"29556-18-1","O=C(c1ccccc1)N(O)c1cccc2ccccc12","O=C(c1ccccc1)N(O)c2c3c(ccc2)cccc3",{"$nulls":4},"O=C(c1ccccc1)N(O)c1cccc2ccccc12","O=C(c1ccccc1)N(O)c2c3c(ccc2)cccc3",null,"O=C(c1ccccc1)N(O)c1cccc2ccccc12","O=C(c1ccccc1)N(O)c2c3c(ccc2)cccc3"]
[4487,"29556-22-7","O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(O)c1ccccc1","O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N(O)c2ccccc2",{"$nulls":7},"O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(O)c1ccccc1","O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N(O)c2ccccc2"]
[4488,"29588-10-1","CCC(C)(NC=O)C(=O)O","CCC(C)(NC=O)C(=O)O"]
[4489,"29596-83-6","NC(=S)SCC(=O)O","NC(=S)SCC(=O)O",{"$nulls":4},"NC(=S)SCC(=O)O","NC(=S)SCC(=O)O",null,"NC(=S)SCC(=O)O","NC(=S)SCC(=O)O"]
[4490,"29677-65-4",{"$nulls":3},"O=C(O)CNC(=S)SCC(=O)O","O=C(O)CNC(=S)SCC(=O)O",{"$nulls":4},"O=C(O)CNC(=S)SCC(=O)O","O=C(O)CNC(=S)SCC(=O)O"]
[4491,"29677-71-2","O=C(NCCc1c[nH]cn1)c1ccccc1","O=C(NCCc1nc[nH]c1)c2ccccc2",{"$nulls":4},"OC(=NCCc1cnc[nH]1)c1ccccc1","OC(=NCCc1[nH]cnc1)c2ccccc2",null,"OC(=NCCc1cnc[nH]1)c1ccccc1","OC(=NCCc1[nH]cnc1)c2ccccc2"]
[4492,"29761-21-5","CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1","CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2",null,"CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1","CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2",null,"*C","*C","CCCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2(1)","*C","*C","CCCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2(1)"]
[4493,"29911-27-1","CCCOCC(C)OCC(C)O","CCCOCC(C)OCC(C)O",null,"CCCOCC(C)OCC(C)O","CCCOCC(C)OCC(C)O",null,"CCCOCC(C)OCC(C)O","CCCOCC(C)OCC(C)O",null,"CCCOCC(C)OCC(C)O","CCCOCC(C)OCC(C)O"]
[4494,"29911-28-2","CCCCOCC(C)OCC(C)O","CCCCOCC(C)OCC(C)O",null,"CCCCOCC(C)OCC(C)O","CCCCOCC(C)OCC(C)O",null,"CCCCOCC(C)OCC(C)O","CCCCOCC(C)OCC(C)O",null,"CCCCOCC(C)OCC(C)O","CCCCOCC(C)OCC(C)O"]
[4495,"29919-17-3","CCN(CC)c1ncnc(N)n1","CCN(CC)c1nc(ncn1)N"]
[4496,"29973-13-5","CCSCc1ccccc1OC(=O)NC","CCSCc1c(cccc1)OC(=O)NC",null,"CCSCc1ccccc1OC(=O)NC","CCSCc1c(cccc1)OC(=O)NC",null,"CCSCc1ccccc1OC(=O)NC","CCSCc1c(cccc1)OC(=O)NC",null,"CCSCc1ccccc1OC(=O)NC","CCSCc1c(cccc1)OC(=O)NC"]
[4497,"30031-64-2",{"$nulls":3},"C1OC1C1CO1","C1C(O1)C2OC2"]
[4498,"30043-49-3","CCS(=O)(=O)c1nnc(N(C)C(=O)NC)s1","CCS(=O)(=O)c1sc(nn1)N(C)C(=O)NC",null,"CCS(=O)(=O)c1nnc(N(C)C(=O)NC)s1","CCS(=O)(=O)c1sc(nn1)N(C)C(=O)NC",null,"CCS(=O)(=O)c1nnc(N(C)C(=O)NC)s1","CCS(=O)(=O)c1sc(nn1)N(C)C(=O)NC",null,"CCS(=O)(=O)c1nnc(N(C)C(=O)NC)s1","CCS(=O)(=O)c1sc(nn1)N(C)C(=O)NC"]
[4499,"30129-83-0","CCS(=O)(=O)CCBr","CCS(=O)(=O)CCBr"]
[4500,"30236-28-3"]
[4501,"30365-50-5",{"$nulls":3},"CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O",{"$nulls":4},"CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O"]
[4502,"30368-49-1","CCNc1ncnc(N)n1","CCNc1nc(ncn1)N",null,"CCNc1ncnc(N)n1","CCNc1nc(ncn1)N"]
[4503,"30368-50-4","CNc1ncnc(NC)n1","CNc1nc(ncn1)NC",null,"CNc1ncnc(NC)n1","CNc1nc(ncn1)NC"]
[4504,"30414-44-9","CCC1CCC(O)O1","CCC1OC(CC1)O",{"$nulls":4},"CCC1CCC(O)O1","CCC1OC(CC1)O",null,"CCC1CCC(O)O1","CCC1OC(CC1)O"]
[4505,"30419-67-1",{"$nulls":3},"C1OC1C1CO1","C1C(O1)C2OC2"]
[4506,"30483-86-4","CC1CCC2(CCC(C)O2)O1","CC1OC2(CC1)OC(CC2)C",{"$nulls":7},"CC1CCC2(CCC(C)O2)O1","CC1OC2(CC1)OC(CC2)C"]
[4507,"30516-87-1","Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O","Cc1c([nH]c(n(c1)C2OC(C(C2)N=[N+]=[N-])CO)=O)=O",null,"Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O","Cc1c([nH]c(n(c1)C2OC(C(C2)N=[N+]=[N-])CO)=O)=O",null,"Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O","Cc1c([nH]c(n(c1)C2OC(C(C2)N=[N+]=[N-])CO)=O)=O",null,"Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O","Cc1c([nH]c(n(c1)C2OC(C(C2)N=[N+]=[N-])CO)=O)=O"]
[4508,"30544-47-9","O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1","O=C(OCCOCCO)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F",null,"O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1","O=C(OCCOCCO)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F",null,"O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1","O=C(OCCOCCO)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F",null,"O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1","O=C(OCCOCCO)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F"]
[4509,"30560-19-1","COP(=O)(NC(C)=O)SC","COP(=O)(NC(C)=O)SC",null,"COP(=O)(NC(C)=O)SC","COP(=O)(NC(C)=O)SC",null,"COP(=O)(NC(C)=O)SC","COP(=O)(NC(C)=O)SC",null,"COP(=O)(NC(C)=O)SC","COP(=O)(NC(C)=O)SC"]
[4510,"30564-38-6","COc1ncnc2nccnc12","COc1c2c(ncn1)nccn2",{"$nulls":4},"COc1ncnc2nccnc12","COc1c2c(ncn1)nccn2",null,"COc1ncnc2nccnc12","COc1c2c(ncn1)nccn2"]
[4511,"30725-71-4","CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2",null,"CCOP(=S)(OCC)SCn1c(=O)oc2ccccc21","CCOP(=S)(OCC)SCn1c2c(oc1=O)cccc2",null,"O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]","C(Cc1ccccc1)Cc2ccccn2(1)"]
[4512,"30746-58-8","Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1ccccc1O2","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)cccc3)Cl",null,"Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1ccccc1O2","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)cccc3)Cl",null,"Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1ccccc1O2","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)cccc3)Cl",null,"Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1ccccc1O2","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)cccc3)Cl"]
[4513,"30777-18-5","c1ccc2c(c1)Cc1c-2ccc2ccccc12","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4",null,"c1ccc2c(c1)Cc1c-2ccc2ccccc12","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4",null,"c1ccc2c(c1)Cc1c-2ccc2ccccc12","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4"]
[4514,"30777-19-6","c1ccc2c(c1)Cc1cc3ccccc3cc1-2","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3",null,"c1ccc2c(c1)Cc1cc3ccccc3cc1-2","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3",null,"c1ccc2c(c1)Cc1cc3ccccc3cc1-2","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3"]
[4515,"30864-28-9","COC(=O)C(C)=COP(=S)(OC)OC","COC(=O)C(C)=COP(=S)(OC)OC",null,"COC(=O)C(C)=COP(=S)(OC)OC","COC(=O)C(C)=COP(=S)(OC)OC"]
[4516,"30924-31-3","CN(CCO)c1nc2c(c(=O)n(C)c(=O)n2C)n1C","CN(CCO)c1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",null,"CN(CCO)c1nc2c(c(=O)n(C)c(=O)n2C)n1C","CN(CCO)c1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",null,"CN(CCO)c1nc2c(c(=O)n(C)c(=O)n2C)n1C","CN(CCO)c1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",null,"CN(CCO)c1nc2c(c(=O)n(C)c(=O)n2C)n1C","CN(CCO)c1n(c2c(n1)n(c(n(c2=O)C)=O)C)C"]
[4517,"30952-65-9","O=C(O)CC(O)(C(=O)O)c1ccccc1","O=C(O)CC(O)(C(=O)O)c1ccccc1"]
[4518,"30979-48-7","CC(C)CNC(=O)N1CCNC1=O","CC(C)CNC(=O)N1C(NCC1)=O",null,"CC(C)CNC(=O)N1CCNC1=O","CC(C)CNC(=O)N1C(NCC1)=O",null,"CC(C)CNC(=O)N1CCNC1=O","CC(C)CNC(=O)N1C(NCC1)=O",null,"CC(C)CNC(=O)N1CCNC1=O","CC(C)CNC(=O)N1C(NCC1)=O"]
[4519,"31090-12-7","Cc1csc(=S)n1CC(=O)O","Cc1n(c(sc1)=S)CC(=O)O",{"$nulls":4},"Cc1csc(=S)n1CC(=O)O","Cc1n(c(sc1)=S)CC(=O)O",null,"Cc1csc(=S)n1CC(=O)O","Cc1n(c(sc1)=S)CC(=O)O"]
[4520,"31112-62-6","CC(=O)Nc1c(I)c(C(=O)NC2C(O)OC(CO)C(O)C2O)c(I)c(N(C)C(C)=O)c1I","CC(=O)Nc1c(c(c(c(c1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(C)=O)I",null,"CC(=O)Nc1c(I)c(C(=O)NC2C(O)OC(CO)C(O)C2O)c(I)c(N(C)C(C)=O)c1I","CC(=O)Nc1c(c(c(c(c1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(C)=O)I",null,"CC(=O)Nc1c(I)c(C(=O)NC2C(O)OC(CO)C(O)C2O)c(I)c(N(C)C(C)=O)c1I","CC(=O)Nc1c(c(c(c(c1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(C)=O)I",null,"CC(=O)Nc1c(I)c(C(=O)NC2C(O)OC(CO)C(O)C2O)c(I)c(N(C)C(C)=O)c1I","CC(=O)Nc1c(c(c(c(c1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(C)=O)I"]
[4521,"31218-83-4","CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C","CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C",null,"CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C","CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C",null,"CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C","CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C",null,"CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C","CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C"]
[4522,"31293-71-7"]
[4523,"31355-01-8","CCS(=O)(=O)CI","CCS(=O)(=O)CI"]
[4524,"31367-46-1","CCCCC(C)C(C)O","CCCCC(C)C(C)O",null,"CCCCC(C)C(C)O","CCCCC(C)C(C)O",null,"CCCCC(C)C(C)O","CCCCC(C)C(C)O",null,"CCCCC(C)C(C)O","CCCCC(C)C(C)O"]
[4525,"31431-39-7","COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1","COC(=O)Nc1[nH]c2c(n1)ccc(C(=O)c3ccccc3)c2",null,"COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1","COC(=O)Nc1[nH]c2c(n1)ccc(C(=O)c3ccccc3)c2",null,"COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1","COC(=O)Nc1[nH]c2c(n1)cc(C(=O)c3ccccc3)cc2",null,"COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1","COC(=O)Nc1[nH]c2c(n1)cc(C(=O)c3ccccc3)cc2"]
[4526,"31508-00-6",{"$nulls":3},"Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},"Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl"]
[4527,"31647-36-6","Cc1cc2cccc3ccc4c5ccccc5cc1c4c32","Cc1c2cc3c(c4ccc5cccc(c1)c5c42)cccc3",null,"Cc1cc2cccc3ccc4c5ccccc5cc1c4c32","Cc1c2cc3c(c4ccc5cccc(c1)c5c42)cccc3",null,"Cc1cc2cccc3ccc4c5ccccc5cc1c4c32","Cc1c2cc3c(c4ccc5cccc(c1)c5c42)cccc3",null,"Cc1cc2cccc3ccc4c5ccccc5cc1c4c32","Cc1c2cc3c(c4ccc5cccc(c1)c5c42)cccc3"]
[4528,"31906-04-4","CC(C)(O)CCCC1=CCC(C=O)CC1","CC(C)(O)CCCC=1CCC(CC1)C=O",null,"CC(C)(O)CCCC1=CCC(C=O)CC1","CC(C)(O)CCCC=1CCC(CC1)C=O",{"$nulls":4},"CC(C)(O)CCCC1=CCC(C=O)CC1","CC(C)(O)CCCC=1CCC(CC1)C=O"]
[4529,"32241-08-0","Clc1cc2c(Cl)c(Cl)c(Cl)c(Cl)c2c(Cl)c1Cl","Clc1c(c(c2c(c1)c(Cl)c(Cl)c(Cl)c2Cl)Cl)Cl",null,"Clc1cc(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl","Clc1c(c2c(c(c1)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl"]
[4530,"32267-39-3","NC1=NC(N)C(=O)C(=O)N1","NC=1NC(C(C(N1)N)=O)=O",null,"NC1=NC(N)C(=O)C(=O)N1","NC=1NC(C(C(N1)N)=O)=O",null,"N=c1nc(O)c(O)c(N)[nH]1","N=c1[nH]c(c(c(n1)O)O)N",null,"N=c1nc(O)c(O)c(N)[nH]1","N=c1[nH]c(c(c(n1)O)O)N"]
[4531,"32417-81-5","O=C(O)c1oc(Cl)c(Cl)c1Cl","O=C(O)c1c(c(c(o1)Cl)Cl)Cl",{"$nulls":4},"O=C(O)c1oc(Cl)c(Cl)c1Cl","O=C(O)c1c(c(c(o1)Cl)Cl)Cl",null,"O=C(O)c1oc(Cl)c(Cl)c1Cl","O=C(O)c1c(c(c(o1)Cl)Cl)Cl"]
[4532,"32430-00-5","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O",{"$nulls":4},"CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O",null,"CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O"]
[4533,"32431-29-1",{"$nulls":3},"COc1ccc2[nH]c(=O)cc(C(=O)[O-])c2c1","COc1cc2c(cc1)[nH]c(=O)cc2C(=O)O",{"$nulls":4},"COc1ccc2[nH]c(=O)cc(C(=O)O)c2c1","COc1cc2c(cc1)[nH]c(=O)cc2C(=O)O"]
[4534,"32449-92-6","O=CC(O)C1OC(=O)C(O)C1O","O=CC(O)C1C(C(C(O1)=O)O)O",null,"O=CC(O)C1OC(=O)C(O)C1O","O=CC(O)C1C(C(C(O1)=O)O)O",null,"O=C1OC2C(O)C(O)OC2C1O","O=C1C(C2C(O1)C(O)C(O)O2)O",null,"O=C1OC2C(O)C(O)OC2C1O","O=C1C(C2C(O1)C(O)C(O)O2)O"]
[4535,"32460-04-1","O=C(O)c1occ(Br)c1Br","O=C(O)c1c(c(co1)Br)Br",{"$nulls":4},"O=C(O)c1occ(Br)c1Br","O=C(O)c1c(c(co1)Br)Br",null,"O=C(O)c1occ(Br)c1Br","O=C(O)c1c(c(co1)Br)Br"]
[4536,"32497-10-2","Cc1csc(=O)[nH]1","Cc1[nH]c(sc1)=O",null,"Cc1csc(=O)[nH]1","Cc1[nH]c(sc1)=O",null,"Cc1csc(=O)[nH]1","Cc1[nH]c(sc1)=O",null,"Cc1csc(=O)[nH]1","Cc1[nH]c(sc1)=O"]
[4537,"32503-98-3","NC(=O)C(N)C(O)C(=O)O","NC(=O)C(N)C(O)C(=O)O",{"$nulls":4},"N=C(O)C(N)C(O)C(=O)O","N=C(O)C(N)C(O)C(=O)O",null,"N=C(O)C(N)C(O)C(=O)O","N=C(O)C(N)C(O)C(=O)O"]
[4538,"32550-24-6","CCc1c[nH]c(=O)nc1N","CCc1c(nc([nH]c1)=O)N",{"$nulls":4},"CCc1cnc(O)[nH]c1=N","CCc1c([nH]c(nc1)O)=N",null,"CCc1cnc(O)[nH]c1=N","CCc1c([nH]c(nc1)O)=N"]
[4539,"32598-10-0","Clc1ccc(-c2ccc(Cl)c(Cl)c2)c(Cl)c1","Clc1cc(c(cc1)-c2cc(c(cc2)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2)c(Cl)c1","Clc1cc(c(cc1)-c2cc(c(cc2)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2)c(Cl)c1","Clc1cc(c(cc1)-c2cc(c(cc2)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2)c(Cl)c1","Clc1cc(c(cc1)-c2cc(c(cc2)Cl)Cl)Cl"]
[4540,"32598-11-1","Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl",null,"Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl",null,"Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl",null,"Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl"]
[4541,"32598-12-2","Clc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(cc2Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(cc2Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(cc2Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(cc2Cl)Cl)Cl"]
[4542,"32598-13-3","Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1Cl","Clc1c(cc(cc1)-c2cc(c(cc2)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1Cl","Clc1c(cc(cc1)-c2cc(c(cc2)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1Cl","Clc1c(cc(cc1)-c2cc(c(cc2)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1Cl","Clc1c(cc(cc1)-c2cc(c(cc2)Cl)Cl)Cl"]
[4543,"32598-14-4","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl"]
[4544,"32620-68-1"]
[4545,"32620-72-7"]
[4546,"32690-93-0","Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl"]
[4547,"32737-66-9","O=C(O)C1CCC(C(=O)O)SS1","O=C(O)C1SSC(CC1)C(=O)O",{"$nulls":4},"O=C(O)C1CCC(C(=O)O)SS1","O=C(O)C1SSC(CC1)C(=O)O",null,"O=C(O)C1CCC(C(=O)O)SS1","O=C(O)C1SSC(CC1)C(=O)O"]
[4548,"32754-29-3"]
[4549,"32774-16-6",{"$nulls":3},"Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2cc(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},"Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2cc(c(c(c2)Cl)Cl)Cl)Cl)Cl"]
[4550,"32809-16-8","CC12CC1(C)C(=O)N(c1cc(Cl)cc(Cl)c1)C2=O","CC12C(C1)(C)C(=O)N(c3cc(cc(c3)Cl)Cl)C2=O",null,"CC12CC1(C)C(=O)N(c1cc(Cl)cc(Cl)c1)C2=O","CC12C(C1)(C)C(=O)N(c3cc(cc(c3)Cl)Cl)C2=O",null,"CC12CC1(C)C(=O)N(c1cc(Cl)cc(Cl)c1)C2=O","CC12C(C1)(C)C(=O)N(c3cc(cc(c3)Cl)Cl)C2=O",null,"CC12CC1(C)C(=O)N(c1cc(Cl)cc(Cl)c1)C2=O","CC12C(C1)(C)C(=O)N(c3cc(cc(c3)Cl)Cl)C2=O"]
[4551,"32861-85-1","COc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]","COc1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]",null,"COc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]","COc1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]",{"$nulls":4},"COc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]","COc1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]"]
[4552,"32862-97-8","O=C(O)C=Cc1cccc(Br)c1","O=C(O)C=Cc1cc(ccc1)Br",null,"O=C(O)C=Cc1cccc(Br)c1","O=C(O)C=Cc1cc(ccc1)Br",null,"O=C(O)C=Cc1cccc(Br)c1","O=C(O)C=Cc1cc(ccc1)Br",null,"O=C(O)C=Cc1cccc(Br)c1","O=C(O)C=Cc1cc(ccc1)Br"]
[4553,"33025-41-1",{"$nulls":3},"Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl"]
[4554,"33089-61-1","Cc1ccc(N=CN(C)C=Nc2ccc(C)cc2C)c(C)c1","Cc1cc(c(cc1)N=CN(C)C=Nc2c(cc(cc2)C)C)C",null,"Cc1ccc(N=CN(C)C=Nc2ccc(C)cc2C)c(C)c1","Cc1cc(c(cc1)N=CN(C)C=Nc2c(cc(cc2)C)C)C",null,"Cc1ccc(N=CN(C)C=Nc2ccc(C)cc2C)c(C)c1","Cc1cc(c(cc1)N=CN(C)C=Nc2c(cc(cc2)C)C)C",null,"Cc1ccc(N=CN(C)C=Nc2ccc(C)cc2C)c(C)c1","Cc1cc(c(cc1)N=CN(C)C=Nc2c(cc(cc2)C)C)C"]
[4555,"33091-17-7","Clc1cc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl"]
[4556,"33098-65-6","CCCC(=O)Nc1ccccc1","CCCC(=O)Nc1ccccc1",null,"CCc1ccccc1NC(C)=O","CCc1c(cccc1)NC(C)=O",null,"CCc1ccccc1NC(C)=O","CCc1c(cccc1)NC(C)=O",null,"CCc1ccccc1NC(C)=O","CCc1c(cccc1)NC(C)=O"]
[4557,"33146-45-1","Clc1cccc(Cl)c1-c1ccccc1","Clc1c(c(ccc1)Cl)-c2ccccc2",null,"Clc1cccc(Cl)c1-c1ccccc1","Clc1c(c(ccc1)Cl)-c2ccccc2",null,"Clc1cccc(Cl)c1-c1ccccc1","Clc1c(c(ccc1)Cl)-c2ccccc2",null,"Clc1cccc(Cl)c1-c1ccccc1","Clc1c(c(ccc1)Cl)-c2ccccc2"]
[4558,"33213-65-9",{"$nulls":3},"O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl",null,"O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl",null,"O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl"]
[4559,"33245-39-5","CCCN(CCCl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",null,"CCCN(CCCl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",null,"CCCN(CCCl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",null,"CCCN(CCCl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]"]
[4560,"33284-50-3","Clc1ccc(-c2ccccc2)c(Cl)c1","Clc1cc(c(cc1)-c2ccccc2)Cl",null,"Clc1ccc(-c2ccccc2)c(Cl)c1","Clc1cc(c(cc1)-c2ccccc2)Cl",null,"Clc1ccc(-c2ccccc2)c(Cl)c1","Clc1cc(c(cc1)-c2ccccc2)Cl",null,"Clc1ccc(-c2ccccc2)c(Cl)c1","Clc1cc(c(cc1)-c2ccccc2)Cl"]
[4561,"33284-52-5","Clc1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl",null,"Clc1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl",null,"Clc1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl",null,"Clc1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl"]
[4562,"33284-53-6",{"$nulls":3},"Clc1cc(-c2ccccc2)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2ccccc2)Cl)Cl)Cl",{"$nulls":4},"Clc1cc(-c2ccccc2)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2ccccc2)Cl)Cl)Cl"]
[4563,"33284-54-7","Clc1cc(Cl)c(Cl)c(-c2ccccc2)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2ccccc2)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2ccccc2)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2ccccc2)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2ccccc2)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2ccccc2)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2ccccc2)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2ccccc2)Cl"]
[4564,"33376-25-9",{"$nulls":9},"CCCC1(CC)C(=O)NC(=O)NC1=O","CCCC1(C(NC(NC1=O)=O)=O)CC"]
[4565,"33423-92-6","Clc1cc(Cl)c2c(c1)Oc1c(Cl)cc(Cl)cc1O2","Clc1cc2c(c(c1)Cl)Oc3c(O2)c(Cl)cc(Cl)c3",null,"Clc1cc(Cl)c2c(c1)Oc1c(Cl)cc(Cl)cc1O2","Clc1cc2c(c(c1)Cl)Oc3c(O2)c(Cl)cc(Cl)c3"]
[4566,"33492-49-8"]
[4567,"33601-90-0","CCC(C)C(NC(C)=O)C(=O)O","CCC(C)C(NC(C)=O)C(=O)O",null,"CCC(C)C(NC(C)=O)C(=O)O","CCC(C)C(NC(C)=O)C(=O)O"]
[4568,"33629-47-9","CCC(C)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]","CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]",null,"CCC(C)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]","CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]",null,"CCC(C)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]","CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]",null,"CCC(C)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]","CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]"]
[4569,"33693-04-8","CCNc1nc(NC(C)(C)C)nc(OC)n1","CCNc1nc(nc(n1)NC(C)(C)C)OC",null,"CCNc1nc(NC(C)(C)C)nc(OC)n1","CCNc1nc(nc(n1)NC(C)(C)C)OC",null,"CCNc1nc(NC(C)(C)C)nc(OC)n1","CCNc1nc(nc(n1)NC(C)(C)C)OC",null,"CCNc1nc(NC(C)(C)C)nc(OC)n1","CCNc1nc(nc(n1)NC(C)(C)C)OC"]
[4570,"33709-29-4","CC(=O)c1cc(O)c(O)c(O)c1","CC(=O)c1cc(c(c(c1)O)O)O",null,"CC(=O)c1cc(O)c(O)c(O)c1","CC(=O)c1cc(c(c(c1)O)O)O",null,"CC(=O)c1cc(O)c(O)c(O)c1","CC(=O)c1cc(c(c(c1)O)O)O",null,"CC(=O)c1cc(O)c(O)c(O)c1","CC(=O)c1cc(c(c(c1)O)O)O"]
[4571,"33739-01-4","O=C(O)Cc1cc(=O)oc2ccc3ccccc3c12","O=C(O)Cc1c2c(oc(c1)=O)ccc3c2cccc3"]
[4572,"33820-53-0","CCCN(CCC)c1c([N+](=O)[O-])cc(C(C)C)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-]",null,"CCCN(CCC)c1c([N+](=O)[O-])cc(C(C)C)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-]",null,"CCCN(CCC)c1c([N+](=O)[O-])cc(C(C)C)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-]",null,"CCCN(CCC)c1c([N+](=O)[O-])cc(C(C)C)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-]"]
[4573,"33857-26-0","Clc1ccc2c(c1)Oc1ccc(Cl)cc1O2","Clc1cc2c(cc1)Oc3c(O2)ccc(Cl)c3",null,"Clc1ccc2c(c1)Oc1ccc(Cl)cc1O2","Clc1cc2c(cc1)Oc3c(O2)ccc(Cl)c3",null,"Clc1ccc2c(c1)Oc1ccc(Cl)cc1O2","Clc1cc2c(cc1)Oc3c(O2)ccc(Cl)c3",null,"Clc1ccc2c(c1)Oc1ccc(Cl)cc1O2","Clc1cc2c(cc1)Oc3c(O2)ccc(Cl)c3"]
[4574,"33862-44-1","NNP(=O)(Oc1ccccc1)Oc1ccccc1","NNP(=O)(Oc1ccccc1)Oc2ccccc2",null,"NNP(=O)(Oc1ccccc1)Oc1ccccc1","NNP(=O)(Oc1ccccc1)Oc2ccccc2",null,"NNP(=O)(Oc1ccccc1)Oc1ccccc1","NNP(=O)(Oc1ccccc1)Oc2ccccc2",null,"NNP(=O)(Oc1ccccc1)Oc1ccccc1","NNP(=O)(Oc1ccccc1)Oc2ccccc2"]
[4575,"33979-03-2",{"$nulls":3},"Clc1cc(Cl)c(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl)Cl"]
[4576,"34014-18-1","CNC(=O)N(C)c1nnc(C(C)(C)C)s1","CNC(=O)N(C)c1sc(nn1)C(C)(C)C",null,"CNC(=O)N(C)c1nnc(C(C)(C)C)s1","CNC(=O)N(C)c1sc(nn1)C(C)(C)C",null,"CNC(=O)N(C)c1nnc(C(C)(C)C)s1","CNC(=O)N(C)c1sc(nn1)C(C)(C)C",null,"CNC(=O)N(C)c1nnc(C(C)(C)C)s1","CNC(=O)N(C)c1sc(nn1)C(C)(C)C"]
[4577,"34097-60-4",{"$nulls":3},"COC(=O)CS(=O)(=O)c1ccccc1","COC(=O)CS(=O)(=O)c1ccccc1"]
[4578,"34101-08-1","CCSC(=S)NC(C)C(=O)O","CCSC(=S)NC(C)C(=O)O",{"$nulls":4},"CCSC(=S)NC(C)C(=O)O","CCSC(=S)NC(C)C(=O)O",null,"CCSC(=S)NC(C)C(=O)O","CCSC(=S)NC(C)C(=O)O"]
[4579,"34123-59-6","CC(C)c1ccc(NC(=O)N(C)C)cc1","CC(C)c1ccc(cc1)NC(=O)N(C)C",null,"CC(C)c1ccc(NC(=O)N(C)C)cc1","CC(C)c1ccc(cc1)NC(=O)N(C)C",null,"CC(C)c1ccc(NC(=O)N(C)C)cc1","CC(C)c1ccc(cc1)NC(=O)N(C)C",null,"CC(C)c1ccc(NC(=O)N(C)C)cc1","CC(C)c1ccc(cc1)NC(=O)N(C)C"]
[4580,"34163-34-3","O=C(O)c1cc(Br)cc(C(=O)O)c1C(=O)O","O=C(O)c1c(c(cc(c1)Br)C(=O)O)C(=O)O",{"$nulls":4},"O=C(O)c1cc(Br)cc(C(=O)O)c1C(=O)O","O=C(O)c1c(c(cc(c1)Br)C(=O)O)C(=O)O",null,"O=C(O)c1cc(Br)cc(C(=O)O)c1C(=O)O","O=C(O)c1c(c(cc(c1)Br)C(=O)O)C(=O)O"]
[4581,"34168-73-5"]
[4582,"34197-26-7",{"$nulls":3},"COc1ccc(C(c2ccc(OC)cc2)C(C)[N+](=O)[O-])cc1","COc1ccc(cc1)C(c2ccc(cc2)OC)C(C)[N+](=O)[O-]",null,"COc1ccc(C(c2ccc(OC)cc2)C(C)[N+](=O)[O-])cc1","COc1ccc(cc1)C(c2ccc(cc2)OC)C(C)[N+](=O)[O-]",null,"COc1ccc(C(c2ccc(OC)cc2)C(C)[N+](=O)[O-])cc1","COc1ccc(cc1)C(c2ccc(cc2)OC)C(C)[N+](=O)[O-]"]
[4583,"34205-21-5","CN(C)C(=O)Nc1ccc(-n2nc(C(C)(C)C)oc2=O)c(Cl)c1","CN(C)C(=O)Nc1cc(c(cc1)-n2c(oc(n2)C(C)(C)C)=O)Cl",null,"CN(C)C(=O)Nc1ccc(-n2nc(C(C)(C)C)oc2=O)c(Cl)c1","CN(C)C(=O)Nc1cc(c(cc1)-n2c(oc(n2)C(C)(C)C)=O)Cl",null,"CN(C)C(O)=Nc1ccc(-n2nc(C(C)(C)C)oc2=O)c(Cl)c1","CN(C)C(O)=Nc1cc(c(cc1)-n2c(oc(n2)C(C)(C)C)=O)Cl",null,"CN(C)C(O)=Nc1ccc(-n2nc(C(C)(C)C)oc2=O)c(Cl)c1","CN(C)C(O)=Nc1cc(c(cc1)-n2c(oc(n2)C(C)(C)C)=O)Cl"]
[4584,"34256-82-1","CCOCN(C(=O)CCl)c1c(C)cccc1CC","CCOCN(C(=O)CCl)c1c(cccc1C)CC",null,"CCOCN(C(=O)CCl)c1c(C)cccc1CC","CCOCN(C(=O)CCl)c1c(cccc1C)CC",null,"CCOCN(C(=O)CCl)c1c(C)cccc1CC","CCOCN(C(=O)CCl)c1c(cccc1C)CC",null,"CCOCN(C(=O)CCl)c1c(C)cccc1CC","CCOCN(C(=O)CCl)c1c(cccc1C)CC"]
[4585,"34364-42-6","CC(C)(c1ccccc1)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1","CC(C)(c1ccccc1)c2c(cccc2)OP(=O)(Oc3ccccc3)Oc4ccccc4",null,"CC(C)c1cc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc(-c2ccccc2)c1","CC(C)c1cc(cc(c1)OP(=O)(Oc2ccccc2)Oc3ccccc3)-c4ccccc4"]
[4586,"34392-82-0"]
[4587,"34462-96-9",{"$nulls":3},"C=CC(=O)Oc1c(Br)cc(Cl)c2cccnc12","C=CC(=O)Oc1c2c(c(cc1Br)Cl)cccn2",{"$nulls":4},"C=CC(=O)Oc1c(Br)cc(Cl)c2cccnc12","C=CC(=O)Oc1c2c(c(cc1Br)Cl)cccn2"]
[4588,"34465-46-8","Clc1cc2c(cc1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl"]
[4589,"34472-57-6","CCCC[Hg]C#N","CCCC[Hg]C#N"]
[4590,"34494-03-6"]
[4591,"34590-94-8","COC(C)COC(C)CO","COC(C)COC(C)CO",null,"COC(C)COC(C)CO","COC(C)COC(C)CO"]
[4592,"34622-58-7","CCN(CC)C(=O)SCc1ccccc1Cl","CCN(CC)C(=O)SCc1c(cccc1)Cl",null,"CCN(CC)C(=O)SCc1ccccc1Cl","CCN(CC)C(=O)SCc1c(cccc1)Cl",null,"CCN(CC)C(=O)SCc1ccccc1Cl","CCN(CC)C(=O)SCc1c(cccc1)Cl",null,"CCN(CC)C(=O)SCc1ccccc1Cl","CCN(CC)C(=O)SCc1c(cccc1)Cl"]
[4593,"34643-46-4","CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl","CCCSP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl",null,"CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl","CCCSP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl",null,"CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl","CCCSP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl",null,"CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl","CCCSP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl"]
[4594,"34681-10-2","CNC(=O)ON=C(C)C(C)SC","CNC(=O)ON=C(C)C(C)SC",null,"CNC(=O)ON=C(C)C(C)SC","CNC(=O)ON=C(C)C(C)SC",null,"CNC(=O)ON=C(C)C(C)SC","CNC(=O)ON=C(C)C(C)SC",null,"CNC(=O)ON=C(C)C(C)SC","CNC(=O)ON=C(C)C(C)SC"]
[4595,"34681-23-7","CNC(=O)ON=C(C)C(C)S(C)(=O)=O","CNC(=O)ON=C(C)C(C)S(C)(=O)=O",null,"CNC(=O)ON=C(C)C(C)S(C)(=O)=O","CNC(=O)ON=C(C)C(C)S(C)(=O)=O",null,"CNC(=O)ON=C(C)C(C)S(C)(=O)=O","CNC(=O)ON=C(C)C(C)S(C)(=O)=O",null,"CNC(=O)ON=C(C)C(C)S(C)(=O)=O","CNC(=O)ON=C(C)C(C)S(C)(=O)=O"]
[4596,"34783-40-9","COP(=O)(OC)OC1=C(Cl)C2C=CCC12","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2",null,"COP(=O)(OC)OC1=C(Cl)CC2C=CC12","COP(=O)(OC)OC=1C2C(CC1Cl)C=C2",null,"COP(=O)(OC)OC1=C(Cl)C2C=CCC12","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2"]
[4597,"34833-00-6","CCC(CCCC(CC)C(=O)O)C(=O)O","CCC(CCCC(CC)C(=O)O)C(=O)O"]
[4598,"34861-84-2","CC(C)C(C(=O)O)C(C)C(=O)O","CC(C)C(C(=O)O)C(C)C(=O)O"]
[4599,"34866-32-5","CCC(O)(CC)C(O)CC(C)C","CCC(O)(CC)C(O)CC(C)C"]
[4600,"34883-39-1","Clc1ccc(Cl)c(-c2ccccc2)c1","Clc1cc(c(cc1)Cl)-c2ccccc2",null,"Clc1ccc(Cl)c(-c2ccccc2)c1","Clc1cc(c(cc1)Cl)-c2ccccc2",null,"Clc1ccc(Cl)c(-c2ccccc2)c1","Clc1cc(c(cc1)Cl)-c2ccccc2",null,"Clc1ccc(Cl)c(-c2ccccc2)c1","Clc1cc(c(cc1)Cl)-c2ccccc2"]
[4601,"34883-43-7","Clc1ccc(-c2ccccc2Cl)cc1","Clc1ccc(cc1)-c2c(cccc2)Cl",null,"Clc1ccc(-c2ccccc2Cl)cc1","Clc1ccc(cc1)-c2c(cccc2)Cl",null,"Clc1ccc(-c2ccccc2Cl)cc1","Clc1ccc(cc1)-c2c(cccc2)Cl",null,"Clc1ccc(-c2ccccc2Cl)cc1","Clc1ccc(cc1)-c2c(cccc2)Cl"]
[4602,"34900-10-2",{"$nulls":9},"CC(C)OC(=O)C(C)(C)O","CC(C)OC(=O)C(C)(C)O"]
[4603,"34914-39-1",{"$nulls":3},"O=C(O)CSC(SCC(=O)O)SCC(=O)O","O=C(O)CSC(SCC(=O)O)SCC(=O)O",{"$nulls":4},"O=C(O)CSC(SCC(=O)O)SCC(=O)O","O=C(O)CSC(SCC(=O)O)SCC(=O)O"]
[4604,"35065-27-1","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl"]
[4605,"35065-28-2","Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl"]
[4606,"35065-29-3","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl"]
[4607,"35065-30-6","Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl"]
[4608,"35224-54-5","CC(Nc1ccccc1Cl)C(=O)O","CC(Nc1c(cccc1)Cl)C(=O)O",{"$nulls":7},"CC(Nc1ccccc1Cl)C(=O)O","CC(Nc1c(cccc1)Cl)C(=O)O"]
[4609,"35256-85-0","CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C","CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C",null,"CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C","CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C",null,"CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C","CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C",null,"CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C","CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C"]
[4610,"35340-63-7","O=C(O)CCCNC(=O)c1ccccc1","O=C(O)CCCNC(=O)c1ccccc1",null,"O=C(O)CCCNC(=O)c1ccccc1","O=C(O)CCCNC(=O)c1ccccc1",null,"O=C(O)CCCNC(=O)c1ccccc1","O=C(O)CCCNC(=O)c1ccccc1",null,"O=C(O)CCCNC(=O)c1ccccc1","O=C(O)CCCNC(=O)c1ccccc1"]
[4611,"35367-38-5","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)cc1","O=C(NC(=O)c1c(cccc1F)F)Nc2ccc(cc2)Cl",null,"O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)cc1","O=C(NC(=O)c1c(cccc1F)F)Nc2ccc(cc2)Cl",null,"O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)cc1","O=C(NC(=O)c1c(cccc1F)F)Nc2ccc(cc2)Cl",null,"O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)cc1","O=C(NC(=O)c1c(cccc1F)F)Nc2ccc(cc2)Cl"]
[4612,"35392-80-4","CCC(C(=O)O)C(CC)C(=O)O","CCC(C(=O)O)C(CC)C(=O)O",null,"CCC(C(=O)O)C(CC)C(=O)O","CCC(C(=O)O)C(CC)C(=O)O"]
[4613,"35400-43-2","CCCSP(=S)(OCC)Oc1ccc(SC)cc1","CCCSP(=S)(OCC)Oc1ccc(cc1)SC",null,"CCCSP(=S)(OCC)Oc1ccc(SC)cc1","CCCSP(=S)(OCC)Oc1ccc(cc1)SC",null,"CCCSP(=S)(OCC)Oc1ccc(SC)cc1","CCCSP(=S)(OCC)Oc1ccc(cc1)SC"]
[4614,"35458-35-6","Cc1cc(O)c(C(=O)O)cc1Cl","Cc1c(cc(c(c1)O)C(=O)O)Cl",{"$nulls":4},"Cc1cc(O)c(C(=O)O)cc1Cl","Cc1c(cc(c(c1)O)C(=O)O)Cl",null,"Cc1cc(O)c(C(=O)O)cc1Cl","Cc1c(cc(c(c1)O)C(=O)O)Cl"]
[4615,"35554-44-0",{"$nulls":3},"C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl","C=CCOC(Cn1cncc1)c2c(cc(cc2)Cl)Cl",null,"C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl","C=CCOC(Cn1cncc1)c2c(cc(cc2)Cl)Cl",null,"C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl","C=CCOC(Cn1cncc1)c2c(cc(cc2)Cl)Cl"]
[4616,"35597-43-4","CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O","CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O",null,"CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O","CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O",null,"CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O","CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O",null,"CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O","CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O"]
[4617,"35693-92-6","Clc1cc(Cl)c(-c2ccccc2)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2ccccc2)Cl",null,"Clc1cc(Cl)c(-c2ccccc2)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2ccccc2)Cl",null,"Clc1cc(Cl)c(-c2ccccc2)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2ccccc2)Cl",null,"Clc1cc(Cl)c(-c2ccccc2)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2ccccc2)Cl"]
[4618,"35693-99-3","Clc1ccc(Cl)c(-c2cc(Cl)ccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(ccc(c2)Cl)Cl",null,"Clc1ccc(Cl)c(-c2cc(Cl)ccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(ccc(c2)Cl)Cl",null,"Clc1ccc(Cl)c(-c2cc(Cl)ccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(ccc(c2)Cl)Cl",null,"Clc1ccc(Cl)c(-c2cc(Cl)ccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(ccc(c2)Cl)Cl"]
[4619,"35694-06-5",{"$nulls":3},"Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl"]
[4620,"35694-08-7","Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl)Cl"]
[4621,"35763-45-2","CC(C)C(O)C(C)(C)C(=O)O","CC(C)C(O)C(C)(C)C(=O)O"]
[4622,"35781-54-5"]
[4623,"35822-46-9","Clc1cc2c(c(Cl)c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(c(c2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",null,"Clc1cc2c(c(Cl)c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(c(c2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",null,"Clc1cc2c(c(Cl)c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(c(c2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",null,"Clc1cc2c(c(Cl)c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(c(c2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl"]
[4624,"36088-22-9",{"$nulls":6},"Clc1cccc2c1Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c2c(ccc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl"]
[4625,"36322-90-4","CN1C(=C(O)Nc2ccccn2)C(=O)c2ccccc2S1(=O)=O","CN1S(c2c(C(C1=C(O)Nc3ncccc3)=O)cccc2)(=O)=O",null,"CN1C(=C(O)Nc2ccccn2)C(=O)c2ccccc2S1(=O)=O","CN1S(c2c(C(C1=C(O)Nc3ncccc3)=O)cccc2)(=O)=O",null,"CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O","CN1S(c2c(C(=C1C(=O)Nc3ncccc3)O)cccc2)(=O)=O",null,"CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O","CN1S(c2c(C(=C1C(=O)Nc3ncccc3)O)cccc2)(=O)=O"]
[4626,"36330-85-5","O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1","O=C(O)CCC(=O)c1ccc(cc1)-c2ccccc2",null,"O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1","O=C(O)CCC(=O)c1ccc(cc1)-c2ccccc2",null,"O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1","O=C(O)CCC(=O)c1ccc(cc1)-c2ccccc2",null,"O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1","O=C(O)CCC(=O)c1ccc(cc1)-c2ccccc2"]
[4627,"36335-67-8","CCOP(=S)(NC(C)CC)Oc1cc(C)ccc1[N+](=O)[O-]","CCOP(=S)(NC(C)CC)Oc1c(ccc(c1)C)[N+](=O)[O-]",null,"CCOP(=S)(NC(C)CC)Oc1cc(C)ccc1[N+](=O)[O-]","CCOP(=S)(NC(C)CC)Oc1c(ccc(c1)C)[N+](=O)[O-]",null,"CCOP(=S)(NC(C)CC)Oc1cc(C)ccc1[N+](=O)[O-]","CCOP(=S)(NC(C)CC)Oc1c(ccc(c1)C)[N+](=O)[O-]",null,"CCOP(=S)(NC(C)CC)Oc1cc(C)ccc1[N+](=O)[O-]","CCOP(=S)(NC(C)CC)Oc1c(ccc(c1)C)[N+](=O)[O-]"]
[4628,"36355-01-8","Brc1ccccc1-c1c(Br)c(Br)c(Br)c(Br)c1Br","Brc1c(cccc1)-c2c(c(c(c(c2Br)Br)Br)Br)Br",null,"Brc1ccc(-c2ccc(Br)c(Br)c2Br)c(Br)c1Br","Brc1c(c(c(cc1)-c2c(c(c(cc2)Br)Br)Br)Br)Br",null,"*Cl","*Cl","Cl*(1), c1ccc(cc1)-c2ccccc2(1)","*Cl","*Cl","Cl*(1), c1ccc(cc1)-c2ccccc2(1)"]
[4629,"36483-60-0","Brc1cc(Br)c(Oc2cc(Br)cc(Br)c2Br)c(Br)c1","Brc1cc(c(c(c1)Br)Oc2c(c(cc(c2)Br)Br)Br)Br",null,"Brc1cc(Br)c(Oc2cc(Br)cc(Br)c2Br)c(Br)c1","Brc1cc(c(c(c1)Br)Oc2c(c(cc(c2)Br)Br)Br)Br",{"$nulls":4},"*c1c(*)c(*)c(Oc2c(*)c(*)c(*)c(*)c2*)c(*)c1*","*c1c(*)c(*)c(Oc2c(*)c(*)c(*)c(*)c2*)c(*)c1*"]
[4630,"36519-00-3","CCOP(=O)(Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl","CCOP(=O)(Oc1c(cc(cc1)Cl)Cl)Oc2c(cc(cc2)Cl)Cl",null,"CCOP(=O)(Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl","CCOP(=O)(Oc1c(cc(cc1)Cl)Cl)Oc2c(cc(cc2)Cl)Cl",null,"CCOP(=O)(Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl","CCOP(=O)(Oc1c(cc(cc1)Cl)Cl)Oc2c(cc(cc2)Cl)Cl",null,"CCOP(=O)(Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl","CCOP(=O)(Oc1c(cc(cc1)Cl)Cl)Oc2c(cc(cc2)Cl)Cl"]
[4631,"36559-22-5","Clc1ccc(-c2cccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(ccc2)Cl)Cl)Cl",null,"Clc1ccc(-c2cccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(ccc2)Cl)Cl)Cl",null,"Clc1ccc(-c2cccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(ccc2)Cl)Cl)Cl",null,"Clc1ccc(-c2cccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(ccc2)Cl)Cl)Cl"]
[4632,"36566-80-0","CCC#CC(C)C","CCC#CC(C)C"]
[4633,"36614-38-7","COP(=S)(OC)SCCSC(C)C","COP(=S)(OC)SCCSC(C)C",null,"COP(=S)(OC)SCCSC(C)C","COP(=S)(OC)SCCSC(C)C",null,"COP(=S)(OC)SCCSC(C)C","COP(=S)(OC)SCCSC(C)C",null,"COP(=S)(OC)SCCSC(C)C","COP(=S)(OC)SCCSC(C)C"]
[4634,"36634-48-7","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O",{"$nulls":4},"CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O"]
[4635,"36653-82-4","CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCO",null,"CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCO",null,"CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCO",null,"CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCO"]
[4636,"36734-19-7",{"$nulls":3},"CC(C)NC(=O)N1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CC(C)NC(=O)N1C(N(C(C1)=O)c2cc(cc(c2)Cl)Cl)=O",null,"CC(C)NC(=O)N1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CC(C)NC(=O)N1C(N(C(C1)=O)c2cc(cc(c2)Cl)Cl)=O",null,"CC(C)NC(=O)N1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CC(C)NC(=O)N1C(N(C(C1)=O)c2cc(cc(c2)Cl)Cl)=O"]
[4637,"36756-79-3","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC",null,"CCC(C)N(C(=O)SCc1ccccc1)C(C)CC","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC",null,"CCC(C)N(C(=O)SCc1ccccc1)C(C)CC","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC",null,"CCC(C)N(C(=O)SCc1ccccc1)C(C)CC","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC"]
[4638,"36765-01-2","NC(=O)c1cc(Cl)cc(Cl)c1N","NC(=O)c1c(c(cc(c1)Cl)Cl)N",null,"NC(=O)c1cc(Cl)cc(Cl)c1N","NC(=O)c1c(c(cc(c1)Cl)Cl)N"]
[4639,"36791-04-5","NC(=O)c1ncn(C2OC(CO)C(O)C2O)n1","NC(=O)c1nn(cn1)C2C(C(C(O2)CO)O)O",null,"NC(=O)c1ncn(C2OC(CO)C(O)C2O)n1","NC(=O)c1nn(cn1)C2C(C(C(O2)CO)O)O",null,"NC(=O)c1ncn(C2OC(CO)C(O)C2O)n1","NC(=O)c1nn(cn1)C2C(C(C(O2)CO)O)O",null,"NC(=O)c1ncn(C2OC(CO)C(O)C2O)n1","NC(=O)c1nn(cn1)C2C(C(C(O2)CO)O)O"]
[4640,"36894-69-6","CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1","CC(CCc1ccccc1)NCC(O)c2cc(c(cc2)O)C(N)=O",null,"CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1","CC(CCc1ccccc1)NCC(O)c2cc(c(cc2)O)C(N)=O",null,"CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1","CC(CCc1ccccc1)NCC(O)c2cc(c(cc2)O)C(N)=O",null,"CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1","CC(CCc1ccccc1)NCC(O)c2cc(c(cc2)O)C(N)=O"]
[4641,"37139-21-2","CCCCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCCCOC(=O)c1ccc(cc1)N",{"$nulls":4},"CCCCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCCCOC(=O)c1ccc(cc1)N",null,"CCCCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCCCOC(=O)c1ccc(cc1)N"]
[4642,"37248-47-8","OCC1=CC(NC2CC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O","OCC=1C(C(C(C(C1)NC2C(C(C(C(C2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O",null,"OCC1=CC(NC2CC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O","OCC=1C(C(C(C(C1)NC2C(C(C(C(C2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O",null,"OCC1=CC(NC2CC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O","OCC=1C(C(C(C(C1)NC2C(C(C(C(C2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O",null,"OCC1=CC(NC2CC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O","OCC=1C(C(C(C(C1)NC2C(C(C(C(C2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O"]
[4643,"37350-58-6","COCCc1ccc(OCC(O)CNC(C)C)cc1","COCCc1ccc(cc1)OCC(O)CNC(C)C",null,"COCCc1ccc(OCC(O)CNC(C)C)cc1","COCCc1ccc(cc1)OCC(O)CNC(C)C",null,"COCCc1ccc(OCC(O)CNC(C)C)cc1","COCCc1ccc(cc1)OCC(O)CNC(C)C",null,"COCCc1ccc(OCC(O)CNC(C)C)cc1","COCCc1ccc(cc1)OCC(O)CNC(C)C"]
[4644,"37433-80-0","O=C(c1ccccc1I)N(O)c1ccccc1","O=C(c1c(cccc1)I)N(O)c2ccccc2",{"$nulls":4},"O=C(c1ccccc1I)N(O)c1ccccc1","O=C(c1c(cccc1)I)N(O)c2ccccc2",null,"O=C(c1ccccc1I)N(O)c1ccccc1","O=C(c1c(cccc1)I)N(O)c2ccccc2"]
[4645,"37517-28-5","NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O","NCCC(O)C(=O)NC1C(C(C(C(C1)N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O",null,"NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O","NCCC(O)C(=O)NC1C(C(C(C(C1)N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O",null,"NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O","NCCC(O)C(=O)NC1C(C(C(C(C1)N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O",null,"NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O","NCCC(O)C(=O)NC1C(C(C(C(C1)N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O"]
[4646,"37534-65-9","NC(=O)NC(Cc1ccccc1)C(=O)O","NC(=O)NC(Cc1ccccc1)C(=O)O",null,"NC(=O)NC(Cc1ccccc1)C(=O)[O-]","NC(=O)NC(Cc1ccccc1)C(=O)O",{"$nulls":4},"NC(=O)NC(Cc1ccccc1)C(=O)O","NC(=O)NC(Cc1ccccc1)C(=O)O"]
[4647,"37538-67-3","O=c1nc[nH]c2cccnc12","O=c1c2c([nH]cn1)cccn2",{"$nulls":4},"O=c1nc[nH]c2cccnc12","O=c1c2c([nH]cn1)cccn2",null,"O=c1nc[nH]c2cccnc12","O=c1c2c([nH]cn1)cccn2"]
[4648,"37680-65-2","Clc1ccc(Cl)c(-c2ccccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cccc2)Cl",null,"Clc1ccc(Cl)c(-c2ccccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cccc2)Cl",null,"Clc1ccc(Cl)c(-c2ccccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cccc2)Cl",null,"Clc1ccc(Cl)c(-c2ccccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cccc2)Cl"]
[4649,"37680-66-3","Clc1ccc(-c2ccccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cccc2)Cl)Cl",null,"Clc1ccc(-c2ccccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cccc2)Cl)Cl",null,"Clc1ccc(-c2ccccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cccc2)Cl)Cl",null,"Clc1ccc(-c2ccccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cccc2)Cl)Cl"]
[4650,"37680-68-5","Clc1cc(Cl)cc(-c2ccccc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cccc2)Cl",null,"Clc1cc(Cl)cc(-c2ccccc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cccc2)Cl",null,"Clc1cc(Cl)cc(-c2ccccc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cccc2)Cl",null,"Clc1cc(Cl)cc(-c2ccccc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cccc2)Cl"]
[4651,"37680-73-2","Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl"]
[4652,"37764-25-3","C=CCN(CC=C)C(=O)C(Cl)Cl","C=CCN(CC=C)C(=O)C(Cl)Cl",null,"C=CCN(CC=C)C(=O)C(Cl)Cl","C=CCN(CC=C)C(=O)C(Cl)Cl",null,"C=CCN(CC=C)C(=O)C(Cl)Cl","C=CCN(CC=C)C(=O)C(Cl)Cl",null,"C=CCN(CC=C)C(=O)C(Cl)Cl","C=CCN(CC=C)C(=O)C(Cl)Cl"]
[4653,"37809-02-2","CC(CCl)[N+](=O)[O-]","CC(CCl)[N+](=O)[O-]",null,"CC(CCl)[N+](=O)[O-]","CC(CCl)[N+](=O)[O-]",null,"CC(CCl)[N+](=O)[O-]","CC(CCl)[N+](=O)[O-]",null,"CC(CCl)[N+](=O)[O-]","CC(CCl)[N+](=O)[O-]"]
[4654,"37853-59-1","Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1","Brc1cc(c(c(c1)Br)OCCOc2c(cc(cc2Br)Br)Br)Br",null,"Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1","Brc1cc(c(c(c1)Br)OCCOc2c(cc(cc2Br)Br)Br)Br",null,"Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1","Brc1cc(c(c(c1)Br)OCCOc2c(cc(cc2Br)Br)Br)Br",null,"Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1","Brc1cc(c(c(c1)Br)OCCOc2c(cc(cc2Br)Br)Br)Br"]
[4655,"37871-00-4","Clc1cc2c(c(Cl)c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(c(c2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl"]
[4656,"37894-46-5","COCCO[Si](CCCl)(OCCOC)OCCOC","COCCO[Si](CCCl)(OCCOC)OCCOC",null,"COCCO[Si](CCCl)(OCCOC)OCCOC","COCCO[Si](CCCl)(OCCOC)OCCOC",null,"COCCO[Si](CCCl)(OCCOC)OCCOC","COCCO[Si](CCCl)(OCCOC)OCCOC",null,"COCCO[Si](CCCl)(OCCOC)OCCOC","COCCO[Si](CCCl)(OCCOC)OCCOC"]
[4657,"37924-13-3","Cc1cc(S(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)C(F)(F)F","Cc1c(ccc(c1)S(=O)(=O)c2ccccc2)NS(=O)(=O)C(F)(F)F",null,"Cc1cc(S(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)C(F)(F)F","Cc1c(ccc(c1)S(=O)(=O)c2ccccc2)NS(=O)(=O)C(F)(F)F",null,"Cc1cc(S(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)C(F)(F)F","Cc1c(ccc(c1)S(=O)(=O)c2ccccc2)NS(=O)(=O)C(F)(F)F",null,"Cc1cc(S(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)C(F)(F)F","Cc1c(ccc(c1)S(=O)(=O)c2ccccc2)NS(=O)(=O)C(F)(F)F"]
[4658,"37962-15-5"]
[4659,"38026-46-9",{"$nulls":3},"CCOC(=O)c1c[nH]c(=S)[nH]c1=O","CCOC(=O)c1c([nH]c([nH]c1)=S)=O",{"$nulls":4},"CCOC(=O)c1c[nH]c(=S)[nH]c1=O","CCOC(=O)c1c([nH]c([nH]c1)=S)=O"]
[4660,"38062-65-6"]
[4661,"38062-69-0","CC(C)CC(N)C(=O)NC(CCC(N)=O)C(=O)O","CC(C)CC(N)C(=O)NC(CCC(N)=O)C(=O)O",{"$nulls":4},"CC(C)CC(N)C(O)=NC(CCC(=N)O)C(=O)O","CC(C)CC(N)C(O)=NC(CCC(=N)O)C(=O)O",null,"CC(C)CC(N)C(O)=NC(CCC(=N)O)C(=O)O","CC(C)CC(N)C(O)=NC(CCC(=N)O)C(=O)O"]
[4662,"38129-37-2",{"$nulls":3},"C=C1CCOC2(C(O)C(C)(O)CO)NC(=O)C1(O)NC2=O","C=C1C2(C(NC(OCC1)(C(N2)=O)C(O)C(C)(O)CO)=O)O",{"$nulls":4},"C=C1CCOC2(C(O)C(C)(O)CO)NC(=O)C1(O)NC2=O","C=C1C2(C(NC(OCC1)(C(N2)=O)C(O)C(C)(O)CO)=O)O"]
[4663,"38206-98-3","Cc1cc(C)c(OCC(=O)O)c(Br)c1","Cc1cc(c(c(c1)C)OCC(=O)O)Br",{"$nulls":7},"Cc1cc(C)c(OCC(=O)O)c(Br)c1","Cc1cc(c(c(c1)C)OCC(=O)O)Br"]
[4664,"38260-54-7","CCOc1cc(OP(=S)(OC)OC)nc(CC)n1","CCOc1nc(nc(c1)OP(=S)(OC)OC)CC",null,"CCOc1cc(OP(=S)(OC)OC)nc(CC)n1","CCOc1nc(nc(c1)OP(=S)(OC)OC)CC",null,"CCOc1cc(OP(=S)(OC)OC)nc(CC)n1","CCOc1nc(nc(c1)OP(=S)(OC)OC)CC",null,"CCOc1cc(OP(=S)(OC)OC)nc(CC)n1","CCOc1nc(nc(c1)OP(=S)(OC)OC)CC"]
[4665,"38304-91-5","N=c1nc(N2CCCCC2)cc(N)n1O","N=c1n(c(cc(n1)N2CCCCC2)N)O",null,"N=c1nc(N2CCCCC2)cc(N)n1O","N=c1n(c(cc(n1)N2CCCCC2)N)O",null,"Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]","Nc1[n+](c(nc(c1)N2CCCCC2)N)[O-]",null,"Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]","Nc1[n+](c(nc(c1)N2CCCCC2)N)[O-]"]
[4666,"38363-40-5","CC(C)(C)NCC(O)COc1ccccc1C1CCCC1","CC(C)(C)NCC(O)COc1c(cccc1)C2CCCC2",null,"CC(C)(C)NCC(O)COc1ccccc1C1CCCC1","CC(C)(C)NCC(O)COc1c(cccc1)C2CCCC2",null,"CC(C)(C)NCC(O)COc1ccccc1C1CCCC1","CC(C)(C)NCC(O)COc1c(cccc1)C2CCCC2",null,"CC(C)(C)NCC(O)COc1ccccc1C1CCCC1","CC(C)(C)NCC(O)COc1c(cccc1)C2CCCC2"]
[4667,"38379-99-6","Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl"]
[4668,"38380-01-7","Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl"]
[4669,"38380-02-8","Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl"]
[4670,"38380-03-9","Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl"]
[4671,"38380-04-0",{"$nulls":3},"Clc1cc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl"]
[4672,"38380-05-1","Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl"]
[4673,"38380-07-3","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl"]
[4674,"38380-08-4","Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl"]
[4675,"38411-22-2","Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl"]
[4676,"38411-25-5","Clc1cc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl)Cl"]
[4677,"38444-73-4","Clc1ccccc1-c1c(Cl)cccc1Cl","Clc1c(cccc1)-c2c(cccc2Cl)Cl",null,"Clc1ccccc1-c1c(Cl)cccc1Cl","Clc1c(cccc1)-c2c(cccc2Cl)Cl",null,"Clc1ccccc1-c1c(Cl)cccc1Cl","Clc1c(cccc1)-c2c(cccc2Cl)Cl",null,"Clc1ccccc1-c1c(Cl)cccc1Cl","Clc1c(cccc1)-c2c(cccc2Cl)Cl"]
[4678,"38444-76-7","Clc1cccc(-c2c(Cl)cccc2Cl)c1","Clc1cc(ccc1)-c2c(cccc2Cl)Cl",null,"Clc1cccc(-c2c(Cl)cccc2Cl)c1","Clc1cc(ccc1)-c2c(cccc2Cl)Cl",null,"Clc1cccc(-c2c(Cl)cccc2Cl)c1","Clc1cc(ccc1)-c2c(cccc2Cl)Cl",null,"Clc1cccc(-c2c(Cl)cccc2Cl)c1","Clc1cc(ccc1)-c2c(cccc2Cl)Cl"]
[4679,"38444-77-8","Clc1ccc(-c2c(Cl)cccc2Cl)cc1","Clc1ccc(cc1)-c2c(cccc2Cl)Cl",null,"Clc1ccc(-c2c(Cl)cccc2Cl)cc1","Clc1ccc(cc1)-c2c(cccc2Cl)Cl",null,"Clc1ccc(-c2c(Cl)cccc2Cl)cc1","Clc1ccc(cc1)-c2c(cccc2Cl)Cl",null,"Clc1ccc(-c2c(Cl)cccc2Cl)cc1","Clc1ccc(cc1)-c2c(cccc2Cl)Cl"]
[4680,"38444-78-9","Clc1ccccc1-c1cccc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(ccc2)Cl)Cl",null,"Clc1ccccc1-c1cccc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(ccc2)Cl)Cl",null,"Clc1ccccc1-c1cccc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(ccc2)Cl)Cl",null,"Clc1ccccc1-c1cccc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(ccc2)Cl)Cl"]
[4681,"38444-81-4","Clc1cccc(-c2cc(Cl)ccc2Cl)c1","Clc1cc(ccc1)-c2c(ccc(c2)Cl)Cl",null,"Clc1cccc(-c2cc(Cl)ccc2Cl)c1","Clc1cc(ccc1)-c2c(ccc(c2)Cl)Cl",null,"Clc1cccc(-c2cc(Cl)ccc2Cl)c1","Clc1cc(ccc1)-c2c(ccc(c2)Cl)Cl",null,"Clc1cccc(-c2cc(Cl)ccc2Cl)c1","Clc1cc(ccc1)-c2c(ccc(c2)Cl)Cl"]
[4682,"38444-85-8","Clc1ccc(-c2cccc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(ccc2)Cl)Cl",null,"Clc1ccc(-c2cccc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(ccc2)Cl)Cl",null,"Clc1ccc(-c2cccc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(ccc2)Cl)Cl",null,"Clc1ccc(-c2cccc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(ccc2)Cl)Cl"]
[4683,"38444-86-9","Clc1ccc(-c2ccccc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cccc2)Cl)Cl",null,"Clc1ccc(-c2ccccc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cccc2)Cl)Cl",null,"Clc1ccc(-c2ccccc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cccc2)Cl)Cl",null,"Clc1ccc(-c2ccccc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cccc2)Cl)Cl"]
[4684,"38444-90-5","Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1","Clc1ccc(cc1)-c2cc(c(cc2)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1","Clc1ccc(cc1)-c2cc(c(cc2)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1","Clc1ccc(cc1)-c2cc(c(cc2)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1","Clc1ccc(cc1)-c2cc(c(cc2)Cl)Cl"]
[4685,"38444-93-8","Clc1cccc(-c2cccc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(ccc2)Cl)Cl)Cl",null,"Clc1cccc(-c2cccc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(ccc2)Cl)Cl)Cl",null,"Clc1cccc(-c2cccc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(ccc2)Cl)Cl)Cl",null,"Clc1cccc(-c2cccc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(ccc2)Cl)Cl)Cl"]
[4686,"38543-66-7","Cc1ccc2c([N+](=O)[O-])ccc(O)c2n1","Cc1nc2c(cc1)c([N+](=O)[O-])ccc2O",{"$nulls":4},"Cc1ccc2c([N+](=O)[O-])ccc(O)c2n1","Cc1nc2c(cc1)c([N+](=O)[O-])ccc2O",null,"Cc1ccc2c([N+](=O)[O-])ccc(O)c2n1","Cc1nc2c(cc1)c([N+](=O)[O-])ccc2O"]
[4687,"38564-69-1","CC(S(C)(=O)=O)S(C)(=O)=O","CC(S(C)(=O)=O)S(C)(=O)=O",null,"CC(S(C)(=O)=O)S(C)(=O)=O","CC(S(C)(=O)=O)S(C)(=O)=O",null,"CC(S(C)(=O)=O)S(C)(=O)=O","CC(S(C)(=O)=O)S(C)(=O)=O",null,"CC(S(C)(=O)=O)S(C)(=O)=O","CC(S(C)(=O)=O)S(C)(=O)=O"]
[4688,"38580-22-2",{"$nulls":9},"Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)O","Cc1c(c([nH]c([nH]1)=O)=O)CC(=O)O"]
[4689,"38605-63-9","CC(C)(NC(N)=O)C(=O)O","CC(C)(NC(N)=O)C(=O)O",{"$nulls":4},"CC(C)(NC(N)=O)C(=O)O","CC(C)(NC(N)=O)C(=O)O",null,"CC(C)(NC(N)=O)C(=O)O","CC(C)(NC(N)=O)C(=O)O"]
[4690,"38624-46-3","CCOc1ccccc1C=CC(=O)O","CCOc1c(cccc1)C=CC(=O)O"]
[4691,"38640-62-9","CC(C)c1ccc2ccccc2c1C(C)C","CC(C)c1c(c2c(cc1)cccc2)C(C)C"]
[4692,"38641-94-0","O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O","CC(C)N(1)","O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O","CC(C)N(1)","O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O","CC(C)N(1)"]
[4693,"38727-55-8","CCOC(=O)CN(C(=O)CCl)c1c(CC)cccc1CC","CCOC(=O)CN(C(=O)CCl)c1c(cccc1CC)CC",null,"CCOC(=O)CN(C(=O)CCl)c1c(CC)cccc1CC","CCOC(=O)CN(C(=O)CCl)c1c(cccc1CC)CC",null,"CCOC(=O)CN(C(=O)CCl)c1c(CC)cccc1CC","CCOC(=O)CN(C(=O)CCl)c1c(cccc1CC)CC",null,"CCOC(=O)CN(C(=O)CCl)c1c(CC)cccc1CC","CCOC(=O)CN(C(=O)CCl)c1c(cccc1CC)CC"]
[4694,"38739-06-9","CC(C)SS(=O)C(C)C","CC(C)SS(=O)C(C)C",{"$nulls":4},"CC(C)SS(=O)C(C)C","CC(C)SS(=O)C(C)C",null,"CC(C)SS(=O)C(C)C","CC(C)SS(=O)C(C)C"]
[4695,"38753-34-3"]
[4696,"38765-78-5","O=C(O)C1=CCCCC1C(=O)O","O=C(O)C=1C(CCCC1)C(=O)O",{"$nulls":4},"O=C(O)C1=CCCCC1C(=O)O","O=C(O)C=1C(CCCC1)C(=O)O",null,"O=C(O)C1=CCCCC1C(=O)O","O=C(O)C=1C(CCCC1)C(=O)O"]
[4697,"38771-96-9"]
[4698,"38821-53-3","CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)C3=CCC=CC3)C2SC1","CC=1CSC2N(C1C(=O)O)C(=O)C2NC(=O)C(N)C=3CC=CCC3",null,"CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)C3=CCC=CC3)C2SC1","CC=1CSC2N(C1C(=O)O)C(=O)C2NC(=O)C(N)C=3CC=CCC3","O(2)","CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)C3=CCC=CC3)C2SC1","CC=1CSC2N(C1C(=O)O)C(=O)C2NC(=O)C(N)C=3CC=CCC3",null,"CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)C3=CCC=CC3)C2SC1","CC=1CSC2N(C1C(=O)O)C(=O)C2NC(=O)C(N)C=3CC=CCC3"]
[4699,"38836-20-3","CC(C)(O)CC(C)(O)c1cccc2ccccc12","CC(C)(O)CC(C)(O)c1c2c(ccc1)cccc2",{"$nulls":4},"CC(C)(O)CC(C)(O)c1cccc2ccccc12","CC(C)(O)CC(C)(O)c1c2c(ccc1)cccc2",null,"CC(C)(O)CC(C)(O)c1cccc2ccccc12","CC(C)(O)CC(C)(O)c1c2c(ccc1)cccc2"]
[4700,"38964-22-6","Clc1ccc2c(c1)Oc1cc(Cl)ccc1O2","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)cc3",null,"Clc1ccc2c(c1)Oc1cc(Cl)ccc1O2","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)cc3"]
[4701,"38996-13-3"]
[4702,"39001-02-0","Clc1c(Cl)c(Cl)c2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c32)c1Cl","Clc1c(c2c(c(c1Cl)Cl)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",null,"Clc1c(Cl)c(Cl)c2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c32)c1Cl","Clc1c(c2c(c(c1Cl)Cl)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",null,"Clc1c(Cl)c(Cl)c2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c32)c1Cl","Clc1c(c2c(c(c1Cl)Cl)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",null,"Clc1c(Cl)c(Cl)c2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c32)c1Cl","Clc1c(c2c(c(c1Cl)Cl)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl"]
[4703,"39121-35-2","O=C(O)C(I)=CBr","O=C(O)C(I)=CBr",{"$nulls":4},"O=C(O)C(I)=CBr","O=C(O)C(I)=CBr",null,"O=C(O)C(I)=CBr","O=C(O)C(I)=CBr"]
[4704,"39148-24-8","CCOP(=O)=O","CCOP(=O)=O","CCOP(=O)=O(2), [Al+3](1)","CCOP(=O)=O","CCOP(=O)=O","CCOP(=O)=O(2), [Al+3](1)","CCO[PH](=O)[O-]","CCOP(=O)O","CCOP([O-])=O(2), [Al+3](1)","CCO[PH](=O)[O-]","CCOP(=O)O","CCOP([O-])=O(2), [Al+3](1)","Organometallic","Organic counterion"]
[4705,"39196-18-4","CNC(=O)ON=C(CSC)C(C)(C)C","CNC(=O)ON=C(CSC)C(C)(C)C",null,"CNC(=O)ON=C(CSC)C(C)(C)C","CNC(=O)ON=C(CSC)C(C)(C)C",null,"CNC(=O)ON=C(CSC)C(C)(C)C","CNC(=O)ON=C(CSC)C(C)(C)C",null,"CNC(=O)ON=C(CSC)C(C)(C)C","CNC(=O)ON=C(CSC)C(C)(C)C"]
[4706,"39227-28-6","Clc1cc2c(cc1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",null,"Clc1cc2c(cc1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",null,"Clc1cc2c(cc1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",null,"Clc1cc2c(cc1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl"]
[4707,"39227-53-7","Clc1cccc2c1Oc1ccccc1O2","Clc1c2c(ccc1)Oc3c(O2)cccc3",null,"Clc1cccc2c1Oc1ccccc1O2","Clc1c2c(ccc1)Oc3c(O2)cccc3",null,"Clc1cccc2c1Oc1ccccc1O2","Clc1c2c(ccc1)Oc3c(O2)cccc3",null,"Clc1cccc2c1Oc1ccccc1O2","Clc1c2c(ccc1)Oc3c(O2)cccc3"]
[4708,"39227-54-8","Clc1ccc2c(c1)Oc1ccccc1O2","Clc1cc2c(cc1)Oc3c(O2)cccc3",null,"Clc1ccc2c(c1)Oc1ccccc1O2","Clc1cc2c(cc1)Oc3c(O2)cccc3",null,"Clc1ccc2c(c1)Oc1ccccc1O2","Clc1cc2c(cc1)Oc3c(O2)cccc3",null,"Clc1ccc2c(c1)Oc1ccccc1O2","Clc1cc2c(cc1)Oc3c(O2)cccc3"]
[4709,"39227-58-2","Clc1cc(Cl)c2c(c1Cl)Oc1ccccc1O2","Clc1c(c2c(c(c1)Cl)Oc3c(O2)cccc3)Cl",null,"Clc1cc(Cl)c2c(c1Cl)Oc1ccccc1O2","Clc1c(c2c(c(c1)Cl)Oc3c(O2)cccc3)Cl",null,"Clc1cc(Cl)c2c(c1Cl)Oc1ccccc1O2","Clc1c(c2c(c(c1)Cl)Oc3c(O2)cccc3)Cl",null,"Clc1cc(Cl)c2c(c1Cl)Oc1ccccc1O2","Clc1c(c2c(c(c1)Cl)Oc3c(O2)cccc3)Cl"]
[4710,"39227-61-7","Clc1ccc2c(c1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1cc2c(cc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl",null,"Clc1ccc2c(c1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1cc2c(cc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl",null,"Clc1ccc2c(c1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1cc2c(cc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl",null,"Clc1ccc2c(c1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1cc2c(cc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl"]
[4711,"39300-45-3","CC=CC(=O)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)CC(C)(C)C","CC=CC(=O)Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(C)(C)CC(C)(C)C"]
[4712,"39485-83-1","Clc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2Cl)Cl)Cl)Cl"]
[4713,"39515-40-7","CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C",null,"CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C",null,"CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C",null,"CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C"]
[4714,"39515-41-8","CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C",null,"CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C",null,"CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C",null,"CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C"]
[4715,"39517-97-0","CCC(CCC(=O)O)C(C)=O","CCC(CCC(=O)O)C(C)=O",{"$nulls":4},"CCC(CCC(=O)O)C(C)=O","CCC(CCC(=O)O)C(C)=O",null,"CCC(CCC(=O)O)C(C)=O","CCC(CCC(=O)O)C(C)=O"]
[4716,"39529-95-8"]
[4717,"39589-98-5","COC(=O)C1C2C=CC(C2)C1C(=O)OC","COC(=O)C1C(C2C=CC1C2)C(=O)OC",null,"COC(=O)C1C2C=CC(C2)C1C(=O)OC","COC(=O)C1C(C2C=CC1C2)C(=O)OC",null,"COC(=O)C1C2C=CC(C2)C1C(=O)OC","COC(=O)C1C(C2C=CC1C2)C(=O)OC"]
[4718,"39615-79-7",{"$nulls":3},"CNC(=O)N(C)C(=O)CC#N","CNC(=O)N(C)C(=O)CC#N",{"$nulls":4},"CNC(=O)N(C)C(=O)CC#N","CNC(=O)N(C)C(=O)CC#N"]
[4719,"39635-31-9","Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl"]
[4720,"39764-27-7","CC(=O)NCC(=O)Nc1ccccc1","CC(=O)NCC(=O)Nc1ccccc1",{"$nulls":4},"CC(=O)NCC(=O)Nc1ccccc1","CC(=O)NCC(=O)Nc1ccccc1"]
[4721,"39807-15-3","C#CCOc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl","C#CCOc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl",null,"C#CCOc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl","C#CCOc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl",null,"C#CCOc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl","C#CCOc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl",null,"C#CCOc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl","C#CCOc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl"]
[4722,"39832-36-5",{"$nulls":3},"CCn1c(=O)c2c(ncn2C)n(C)c1=O","CCn1c(n(c2c(c1=O)n(cn2)C)C)=O",{"$nulls":4},"CCn1c(=O)c2c(ncn2C)n(C)c1=O","CCn1c(n(c2c(c1=O)n(cn2)C)C)=O"]
[4723,"39923-25-6",{"$nulls":3},"CCOP(=O)(OCC)SCn1nnc2ccccc2c1=O","CCOP(=O)(OCC)SCn1c(c2c(nn1)cccc2)=O",{"$nulls":4},"CCOP(=O)(OCC)SCn1nnc2ccccc2c1=O","CCOP(=O)(OCC)SCn1c(c2c(nn1)cccc2)=O"]
[4724,"39978-21-7","CCOC(=O)C(C)NC(=O)c1ccco1","CCOC(=O)C(C)NC(=O)c1occc1"]
[4725,"40078-42-0","CCOC(=O)C(=CC=Cc1ccccc1)NC=O","CCOC(=O)C(=CC=Cc1ccccc1)NC=O"]
[4726,"40120-74-9","O=P(OC(Cl)CCCl)(OC(Cl)CCCl)OC(Cl)CCCl","O=P(OC(Cl)CCCl)(OC(Cl)CCCl)OC(Cl)CCCl",null,"O=P(OC(Cl)CCCl)(OC(Cl)CCCl)OC(Cl)CCCl","O=P(OC(Cl)CCCl)(OC(Cl)CCCl)OC(Cl)CCCl"]
[4727,"40186-70-7","Clc1cc(Cl)c(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl"]
[4728,"40186-71-8","Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl"]
[4729,"40186-72-9","Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl"]
[4730,"40437-08-9",{"$nulls":6},"CC(=O)OCC(O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O","CC(=O)OCC(O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O",null,"CC(=O)OCC(O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O","CC(=O)OCC(O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O"]
[4731,"40465-66-5",{"$nulls":3},"O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O"]
[4732,"40487-42-1","CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-]","CCC(CC)Nc1c(c(c(cc1[N+](=O)[O-])C)C)[N+](=O)[O-]",null,"CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-]","CCC(CC)Nc1c(c(c(cc1[N+](=O)[O-])C)C)[N+](=O)[O-]",null,"CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-]","CCC(CC)Nc1c(c(c(cc1[N+](=O)[O-])C)C)[N+](=O)[O-]"]
[4733,"40596-69-8","COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C","COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C",null,"COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C","COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C",null,"COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C","COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C",null,"COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C","COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C"]
[4734,"40617-52-5"]
[4735,"41047-52-3","CN(C)c1ncc2nccnc2n1","CN(C)c1nc2c(cn1)nccn2",{"$nulls":4},"CN(C)c1ncc2nccnc2n1","CN(C)c1nc2c(cn1)nccn2",null,"CN(C)c1ncc2nccnc2n1","CN(C)c1nc2c(cn1)nccn2"]
[4736,"41083-11-8",{"$nulls":6},"c1ncn([Sn](C2CCCCC2)(C2CCCCC2)C2CCCCC2)n1","c1nn(cn1)[Sn](C2CCCCC2)(C3CCCCC3)C4CCCCC4",null,"c1ncn([Sn](C2CCCCC2)(C2CCCCC2)C2CCCCC2)n1","c1nn(cn1)[Sn](C2CCCCC2)(C3CCCCC3)C4CCCCC4"]
[4737,"41096-46-2","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",null,"CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",null,"CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",null,"CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C"]
[4738,"41198-08-7","CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl","CCCSP(=O)(OCC)Oc1c(cc(cc1)Br)Cl",null,"CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl","CCCSP(=O)(OCC)Oc1c(cc(cc1)Br)Cl",null,"CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl","CCCSP(=O)(OCC)Oc1c(cc(cc1)Br)Cl",null,"CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl","CCCSP(=O)(OCC)Oc1c(cc(cc1)Br)Cl"]
[4739,"41205-09-8","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",null,"CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",null,"CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",null,"CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C"]
[4740,"41205-21-4",{"$nulls":3},"O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(F)cc1","O=C1N(C(C(=C1Cl)Cl)=O)c2ccc(cc2)F",{"$nulls":4},"O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(F)cc1","O=C1N(C(C(=C1Cl)Cl)=O)c2ccc(cc2)F"]
[4741,"41295-28-7","COc1ccc(C(=O)c2cccc(C)c2)cc1C","COc1c(cc(cc1)C(=O)c2cc(ccc2)C)C",null,"COc1ccc(C(=O)c2cccc(C)c2)cc1C","COc1c(cc(cc1)C(=O)c2cc(ccc2)C)C",null,"COc1ccc(C(=O)c2cccc(C)c2)cc1C","COc1c(cc(cc1)C(=O)c2cc(ccc2)C)C",null,"COc1ccc(C(=O)c2cccc(C)c2)cc1C","COc1c(cc(cc1)C(=O)c2cc(ccc2)C)C"]
[4742,"41356-13-2","NC(=O)NN=CC(O)C(O)C(O)C(O)CO","NC(=O)NN=CC(O)C(O)C(O)C(O)CO",{"$nulls":4},"N=C(O)NN=CC(O)C(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)C(O)CO",null,"N=C(O)NN=CC(O)C(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)C(O)CO"]
[4743,"41394-05-2","Cc1nnc(-c2ccccc2)c(=O)n1N","Cc1n(c(c(nn1)-c2ccccc2)=O)N",null,"Cc1nnc(-c2ccccc2)c(=O)n1N","Cc1n(c(c(nn1)-c2ccccc2)=O)N",null,"Cc1nnc(-c2ccccc2)c(=O)n1N","Cc1n(c(c(nn1)-c2ccccc2)=O)N",null,"Cc1nnc(-c2ccccc2)c(=O)n1N","Cc1n(c(c(nn1)-c2ccccc2)=O)N"]
[4744,"41464-39-5","Clc1ccc(Cl)c(-c2cccc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(ccc2)Cl)Cl",null,"Clc1ccc(Cl)c(-c2cccc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(ccc2)Cl)Cl",null,"Clc1ccc(Cl)c(-c2cccc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(ccc2)Cl)Cl",null,"Clc1ccc(Cl)c(-c2cccc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(ccc2)Cl)Cl"]
[4745,"41464-40-8","Clc1ccc(-c2cc(Cl)ccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(ccc(c2)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)ccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(ccc(c2)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)ccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(ccc(c2)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)ccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(ccc(c2)Cl)Cl)Cl"]
[4746,"41464-41-9","Clc1ccc(Cl)c(-c2c(Cl)cccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cccc2Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)cccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cccc2Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)cccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cccc2Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)cccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cccc2Cl)Cl"]
[4747,"41464-46-4","Clc1ccc(-c2c(Cl)cccc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cccc2Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cccc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cccc2Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cccc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cccc2Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cccc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cccc2Cl)Cl)Cl"]
[4748,"41464-47-5","Clc1cccc(-c2c(Cl)cccc2Cl)c1Cl","Clc1c(c(ccc1)-c2c(cccc2Cl)Cl)Cl",null,"Clc1ccccc1-c1c(Cl)ccc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl",null,"Clc1cccc(-c2c(Cl)cccc2Cl)c1Cl","Clc1c(c(ccc1)-c2c(cccc2Cl)Cl)Cl",null,"Clc1cccc(-c2c(Cl)cccc2Cl)c1Cl","Clc1c(c(ccc1)-c2c(cccc2Cl)Cl)Cl"]
[4749,"41464-51-1","Clc1cc(Cl)c(-c2cccc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cccc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cccc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cccc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl"]
[4750,"41476-09-9",{"$nulls":6},"O=C(S)CCCCCCCCC(=O)S","O=C(S)CCCCCCCCC(=O)S",null,"O=C(S)CCCCCCCCC(=O)S","O=C(S)CCCCCCCCC(=O)S"]
[4751,"41483-43-6","CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C","CCCCc1c(nc(nc1C)NCC)OS(=O)(=O)N(C)C",null,"CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C","CCCCc1c(nc(nc1C)NCC)OS(=O)(=O)N(C)C",null,"CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C","CCCCc1c(nc(nc1C)NCC)OS(=O)(=O)N(C)C",null,"CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C","CCCCc1c(nc(nc1C)NCC)OS(=O)(=O)N(C)C"]
[4752,"41563-94-4","N#CCCN1C(=O)CCC1C(=O)O","N#CCCN1C(CCC1=O)C(=O)O",null,"N#CCCN1C(=O)CCC1C(=O)O","N#CCCN1C(CCC1=O)C(=O)O"]
[4753,"41570-59-6","CCOc1ccc(NC(C)=O)c(C)c1","CCOc1cc(c(cc1)NC(C)=O)C",{"$nulls":4},"CCOc1ccc(N=C(C)O)c(C)c1","CCOc1cc(c(cc1)N=C(C)O)C",null,"CCOc1ccc(N=C(C)O)c(C)c1","CCOc1cc(c(cc1)N=C(C)O)C"]
[4754,"41814-78-2","Cc1cccc2sc3nncn3c12","Cc1c2c(ccc1)sc3n2cnn3",null,"Cc1cccc2sc3nncn3c12","Cc1c2c(ccc1)sc3n2cnn3",null,"Cc1cccc2sc3nncn3c12","Cc1c2c(ccc1)sc3n2cnn3",null,"Cc1cccc2sc3nncn3c12","Cc1c2c(ccc1)sc3n2cnn3"]
[4755,"41903-57-5"]
[4756,"42044-81-5","COc1cc(C=O)c(C)cc1O","COc1c(cc(c(c1)C=O)C)O",{"$nulls":4},"COc1cc(C=O)c(C)cc1O","COc1c(cc(c(c1)C=O)C)O",null,"COc1cc(C=O)c(C)cc1O","COc1c(cc(c(c1)C=O)C)O"]
[4757,"42200-33-9","CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2","CC(C)(C)NCC(O)COc1c2c(ccc1)CC(C(C2)O)O",null,"CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2","CC(C)(C)NCC(O)COc1c2c(ccc1)CC(C(C2)O)O",null,"CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2","CC(C)(C)NCC(O)COc1c2c(ccc1)CC(C(C2)O)O",null,"CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2","CC(C)(C)NCC(O)COc1c2c(ccc1)CC(C(C2)O)O"]
[4758,"42346-68-9","CN1CC(C(=O)O)CC1=O","CN1C(CC(C1)C(=O)O)=O",null,"CN1CC(C(=O)O)CC1=O","CN1C(CC(C1)C(=O)O)=O"]
[4759,"42399-41-7","COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1","COc1ccc(cc1)C2C(C(N(c3c(S2)cccc3)CCN(C)C)=O)OC(C)=O",null,"COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1","COc1ccc(cc1)C2C(C(N(c3c(S2)cccc3)CCN(C)C)=O)OC(C)=O",null,"COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1","COc1ccc(cc1)C2C(C(N(c3c(S2)cccc3)CCN(C)C)=O)OC(C)=O",null,"COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1","COc1ccc(cc1)C2C(C(N(c3c(S2)cccc3)CCN(C)C)=O)OC(C)=O"]
[4760,"42509-80-8","CCOP(=S)(OCC)Oc1nc(Cl)n(C(C)C)n1","CCOP(=S)(OCC)Oc1nn(c(n1)Cl)C(C)C",null,"CCOP(=S)(OCC)Oc1nc(Cl)n(C(C)C)n1","CCOP(=S)(OCC)Oc1nn(c(n1)Cl)C(C)C",null,"CCOP(=S)(OCC)Oc1nc(Cl)n(C(C)C)n1","CCOP(=S)(OCC)Oc1nn(c(n1)Cl)C(C)C",null,"CCOP(=S)(OCC)Oc1nc(Cl)n(C(C)C)n1","CCOP(=S)(OCC)Oc1nn(c(n1)Cl)C(C)C"]
[4761,"42576-02-3","COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]","COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]",null,"COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]","COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]",null,"COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]","COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]",null,"COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]","COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]"]
[4762,"42588-37-4","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",null,"C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",null,"C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",null,"C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C"]
[4763,"42609-52-9","Cc1ccc(NC(=O)NC(C)(C)c2ccccc2)cc1","Cc1ccc(cc1)NC(=O)NC(C)(C)c2ccccc2",null,"Cc1ccc(NC(=O)NC(C)(C)c2ccccc2)cc1","Cc1ccc(cc1)NC(=O)NC(C)(C)c2ccccc2",null,"Cc1ccc(NC(O)=NC(C)(C)c2ccccc2)cc1","Cc1ccc(cc1)NC(O)=NC(C)(C)c2ccccc2",null,"Cc1ccc(NC(O)=NC(C)(C)c2ccccc2)cc1","Cc1ccc(cc1)NC(O)=NC(C)(C)c2ccccc2"]
[4764,"42609-73-4","Cc1ccc(N(C)C(=O)NC(C)(C)c2ccccc2)cc1","Cc1ccc(cc1)N(C)C(=O)NC(C)(C)c2ccccc2",null,"CN(C(=O)NC(C)(C)c1ccccc1)c1ccccc1","CN(C(=O)NC(C)(C)c1ccccc1)c2ccccc2",null,"CN(C(O)=NC(C)(C)c1ccccc1)c1ccccc1","CN(C(O)=NC(C)(C)c1ccccc1)c2ccccc2",null,"CN(C(O)=NC(C)(C)c1ccccc1)c1ccccc1","CN(C(O)=NC(C)(C)c1ccccc1)c2ccccc2"]
[4765,"42740-50-1","Clc1cc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl)Cl"]
[4766,"42793-96-4"]
[4767,"42865-71-4","CC(=O)c1cccc(NC(N)=O)c1","CC(=O)c1cc(ccc1)NC(N)=O",null,"CC(=O)c1cccc(NC(N)=O)c1","CC(=O)c1cc(ccc1)NC(N)=O",{"$nulls":4},"CC(=O)c1cccc(NC(N)=O)c1","CC(=O)c1cc(ccc1)NC(N)=O"]
[4768,"42874-03-3","CCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOc1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",null,"CCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOc1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",null,"CCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOc1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",null,"CCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOc1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]"]
[4769,"43015-17-4","CCCOCC(O)COCCC","CCCOCC(O)COCCC",{"$nulls":4},"CCCOCC(O)COCCC","CCCOCC(O)COCCC",null,"CCCOCC(O)COCCC","CCCOCC(O)COCCC"]
[4770,"43121-43-3","CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(=O)C(Oc1ccc(cc1)Cl)n2ncnc2",null,"CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(=O)C(Oc1ccc(cc1)Cl)n2ncnc2",null,"CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(=O)C(Oc1ccc(cc1)Cl)n2ncnc2",null,"CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(=O)C(Oc1ccc(cc1)Cl)n2ncnc2"]
[4771,"46114-86-7","CC(=O)C(=O)Nc1ccccc1","CC(=O)C(=O)Nc1ccccc1",null,"CC(=O)C(=O)Nc1ccccc1","CC(=O)C(=O)Nc1ccccc1",null,"CC(=O)C(=O)Nc1ccccc1","CC(=O)C(=O)Nc1ccccc1",null,"CC(=O)C(=O)Nc1ccccc1","CC(=O)C(=O)Nc1ccccc1"]
[4772,"46855-40-7","CN(CCCCC(=O)O)S(=O)(=O)c1ccccc1","CN(CCCCC(=O)O)S(=O)(=O)c1ccccc1",{"$nulls":4},"CN(CCCCC(=O)O)S(=O)(=O)c1ccccc1","CN(CCCCC(=O)O)S(=O)(=O)c1ccccc1",null,"CN(CCCCC(=O)O)S(=O)(=O)c1ccccc1","CN(CCCCC(=O)O)S(=O)(=O)c1ccccc1"]
[4773,"48126-70-1","O=C(O)C1C(C(=O)O)C1C(=O)O","O=C(O)C1C(C1C(=O)O)C(=O)O"]
[4774,"49558-04-5","CCCCCOC(=O)c1cccnc1","CCCCCOC(=O)c1cnccc1",null,"CCCCCOC(=O)c1cccnc1","CCCCCOC(=O)c1cnccc1",null,"CCCCCOC(=O)c1cccnc1","CCCCCOC(=O)c1cnccc1",null,"CCCCCOC(=O)c1cccnc1","CCCCCOC(=O)c1cnccc1"]
[4775,"49607-15-0","NCCc1ccc(O)c([N+](=O)[O-])c1","NCCc1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},"NCCc1ccc(O)c([N+](=O)[O-])c1","NCCc1cc(c(cc1)O)[N+](=O)[O-]",null,"NCCc1ccc(O)c([N+](=O)[O-])c1","NCCc1cc(c(cc1)O)[N+](=O)[O-]"]
[4776,"49629-98-3",{"$nulls":9},"O=C(O)COc1cccc(OCC(=O)O)c1OCC(=O)O","O=C(O)COc1c(c(ccc1)OCC(=O)O)OCC(=O)O"]
[4777,"49754-15-6",{"$nulls":3},"CCOC(=O)NC(=O)CC(=O)NC(=O)OCC","CCOC(=O)NC(=O)CC(=O)NC(=O)OCC",{"$nulls":4},"CCOC(=O)NC(=O)CC(=O)NC(=O)OCC","CCOC(=O)NC(=O)CC(=O)NC(=O)OCC"]
[4778,"49861-19-0",{"$nulls":6},"O=C(S)CCCCCCC(=O)S","O=C(S)CCCCCCC(=O)S",null,"O=C(S)CCCCCCC(=O)S","O=C(S)CCCCCCC(=O)S"]
[4779,"50256-21-8","Cc1nc2c(=O)[nH]c(=O)n(C)c2nc1C","Cc1c(nc2c(n1)c(=O)[nH]c(=O)n2C)C",{"$nulls":4},"Cc1nc2c(O)nc(=O)n(C)c2nc1C","Cc1c(nc2c(n1)c(O)nc(=O)n2C)C",null,"Cc1nc2c(O)nc(=O)n(C)c2nc1C","Cc1c(nc2c(n1)c(O)nc(=O)n2C)C"]
[4780,"50397-65-4"]
[4781,"50406-54-7","Cc1cnns1","Cc1snnc1",null,"Cc1cnns1","Cc1snnc1",null,"Cc1cnns1","Cc1snnc1",null,"Cc1cnns1","Cc1snnc1"]
[4782,"50453-17-3"]
[4783,"50471-44-8","C=CC1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","C=CC1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",null,"C=CC1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","C=CC1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",null,"C=CC1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","C=CC1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",null,"C=CC1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","C=CC1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C"]
[4784,"50512-35-1",{"$nulls":3},"CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1","CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1","IP[3H](1)",{"$nulls":3},"CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1","CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1","IP[3H](1)"]
[4785,"50563-36-5","COCCN(C(=O)CCl)c1c(C)cccc1C","COCCN(C(=O)CCl)c1c(cccc1C)C",null,"COCCN(C(=O)CCl)c1c(C)cccc1C","COCCN(C(=O)CCl)c1c(cccc1C)C",null,"COCCN(C(=O)CCl)c1c(C)cccc1C","COCCN(C(=O)CCl)c1c(cccc1C)C",null,"COCCN(C(=O)CCl)c1c(C)cccc1C","COCCN(C(=O)CCl)c1c(cccc1C)C"]
[4786,"50594-66-6","O=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","O=C(O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",null,"O=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","O=C(O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",null,"O=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","O=C(O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",null,"O=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","O=C(O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]"]
[4787,"50679-08-8","CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1","CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4",null,"CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1","CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4",null,"CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1","CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4",null,"CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1","CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4"]
[4788,"50768-64-4","O=C1CCCCCCCCCCCCCCN1","O=C1NCCCCCCCCCCCCCC1",{"$nulls":4},"OC1=NCCCCCCCCCCCCCC1","OC=1CCCCCCCCCCCCCCN1",null,"OC1=NCCCCCCCCCCCCCC1","OC=1CCCCCCCCCCCCCCN1"]
[4789,"50782-69-9","CCOP(C)(=O)SCCN(C(C)C)C(C)C","CCOP(C)(=O)SCCN(C(C)C)C(C)C",null,"CCOP(C)(=O)SCCN(C(C)C)C(C)C","CCOP(C)(=O)SCCN(C(C)C)C(C)C",null,"CCOP(C)(=O)SCCN(C(C)C)C(C)C","CCOP(C)(=O)SCCN(C(C)C)C(C)C",null,"CCOP(C)(=O)SCCN(C(C)C)C(C)C","CCOP(C)(=O)SCCN(C(C)C)C(C)C"]
[4790,"50785-22-3",{"$nulls":6},"CC(=O)Oc1ccccc1C(=O)OCC(=N)O","CC(=O)Oc1c(cccc1)C(=O)OCC(=N)O",null,"CC(=O)Oc1ccccc1C(=O)OCC(=N)O","CC(=O)Oc1c(cccc1)C(=O)OCC(=N)O"]
[4791,"50785-24-5"]
[4792,"50905-12-9","CCCCCC(=O)NCCNC(=O)CCCCC","CCCCCC(=O)NCCNC(=O)CCCCC",null,"CCCCCC(=O)NCCNC(=O)CCCCC","CCCCCC(=O)NCCNC(=O)CCCCC"]
[4793,"50982-66-6","N#CCC(=O)Nc1ccccc1Cl","N#CCC(=O)Nc1c(cccc1)Cl",null,"N#CCC(=O)Nc1ccccc1Cl","N#CCC(=O)Nc1c(cccc1)Cl",null,"N#CCC(=O)Nc1ccccc1Cl","N#CCC(=O)Nc1c(cccc1)Cl",null,"N#CCC(=O)Nc1ccccc1Cl","N#CCC(=O)Nc1c(cccc1)Cl"]
[4794,"51019-43-3","CC(=O)OC(C(=O)O)c1ccccc1","CC(=O)OC(C(=O)O)c1ccccc1"]
[4795,"51065-35-1",{"$nulls":3},"CC1OC1C1OC1C","CC1C(O1)C2C(O2)C"]
[4796,"51072-90-3","Cn1c(C(N)=O)c(C(N)=O)c2ccccc21","Cn1c2c(c(c1C(N)=O)C(N)=O)cccc2",{"$nulls":4},"Cn1c(C(=N)O)c(C(=N)O)c2ccccc21","Cn1c2c(c(c1C(=N)O)C(=N)O)cccc2",null,"Cn1c(C(=N)O)c(C(=N)O)c2ccccc21","Cn1c2c(c(c1C(=N)O)C(=N)O)cccc2"]
[4797,"51078-47-8",{"$nulls":6},"CC(NCCC#N)C(=O)O","CC(NCCC#N)C(=O)O",null,"CC(NCCC#N)C(=O)O","CC(NCCC#N)C(=O)O"]
[4798,"51078-49-0",{"$nulls":9},"CC(C)C(NCCC#N)C(=O)O","CC(C)C(NCCC#N)C(=O)O"]
[4799,"51084-31-2","O=C(O)c1ccc(S(=O)(=O)O)c(C(=O)O)c1","O=C(O)c1cc(c(cc1)S(=O)(=O)O)C(=O)O",{"$nulls":4},"O=C(O)c1ccc(S(=O)(=O)O)c(C(=O)O)c1","O=C(O)c1cc(c(cc1)S(=O)(=O)O)C(=O)O",null,"O=C(O)c1ccc(S(=O)(=O)O)c(C(=O)O)c1","O=C(O)c1cc(c(cc1)S(=O)(=O)O)C(=O)O"]
[4800,"51087-03-7","OC(=S)c1cccnc1","OC(=S)c1cnccc1",{"$nulls":4},"O=C(S)c1cccnc1","O=C(S)c1cnccc1",null,"O=C(S)c1cccnc1","O=C(S)c1cnccc1"]
[4801,"51143-42-1","Cc1nn(-c2ccccc2)c(N)c1C","Cc1c(c(n(n1)-c2ccccc2)N)C",{"$nulls":4},"Cc1nn(-c2ccccc2)c(N)c1C","Cc1c(c(n(n1)-c2ccccc2)N)C",null,"Cc1nn(-c2ccccc2)c(N)c1C","Cc1c(c(n(n1)-c2ccccc2)N)C"]
[4802,"51203-19-1",{"$nulls":9},"CN(c1nccs1)S(=O)(=O)c1ccc(N)cc1","CN(c1sccn1)S(=O)(=O)c2ccc(cc2)N"]
[4803,"51207-31-9","Clc1cc2oc3cc(Cl)c(Cl)cc3c2cc1Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3)Cl)Cl)Cl",null,"Clc1cc2oc3cc(Cl)c(Cl)cc3c2cc1Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3)Cl)Cl)Cl",null,"Clc1cc2oc3cc(Cl)c(Cl)cc3c2cc1Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3)Cl)Cl)Cl",null,"Clc1cc2oc3cc(Cl)c(Cl)cc3c2cc1Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3)Cl)Cl)Cl"]
[4804,"51218-45-2","CCc1cccc(C)c1N(C(=O)CCl)C(C)COC","CCc1c(c(ccc1)C)N(C(=O)CCl)C(C)COC",null,"CCc1cccc(C)c1N(C(=O)CCl)C(C)COC","CCc1c(c(ccc1)C)N(C(=O)CCl)C(C)COC",null,"CCc1cccc(C)c1N(C(=O)CCl)C(C)COC","CCc1c(c(ccc1)C)N(C(=O)CCl)C(C)COC",null,"CCc1cccc(C)c1N(C(=O)CCl)C(C)COC","CCc1c(c(ccc1)C)N(C(=O)CCl)C(C)COC"]
[4805,"51218-49-6",{"$nulls":3},"CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC","CCCOCCN(C(=O)CCl)c1c(cccc1CC)CC",null,"CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC","CCCOCCN(C(=O)CCl)c1c(cccc1CC)CC",null,"CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC","CCCOCCN(C(=O)CCl)c1c(cccc1CC)CC"]
[4806,"51235-04-2","CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C","CN(C)c1n(c(n(c(n1)=O)C2CCCCC2)=O)C",null,"CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C","CN(C)c1n(c(n(c(n1)=O)C2CCCCC2)=O)C",null,"CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C","CN(C)c1n(c(n(c(n1)=O)C2CCCCC2)=O)C"]
[4807,"51249-05-9","CCCCNC1(P(=O)(OCCCC)OCCCC)CCCCC1","CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC",null,"CCCCNC1(P(=O)(OCCCC)OCCCC)CCCCC1","CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC",null,"CCCCNC1(P(=O)(OCCCC)OCCCC)CCCCC1","CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC",null,"CCCCNC1(P(=O)(OCCCC)OCCCC)CCCCC1","CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC"]
[4808,"51294-23-6"]
[4809,"51308-54-4","CCCCSC(=Nc1cccnc1)SCc1ccc(C(C)(C)C)cc1","CCCCSC(=Nc1cnccc1)SCc2ccc(cc2)C(C)(C)C",null,"CCCCSC(=Nc1cccnc1)SCc1ccc(C(C)(C)C)cc1","CCCCSC(=Nc1cnccc1)SCc2ccc(cc2)C(C)(C)C",null,"CCCCSC(=Nc1cccnc1)SCc1ccc(C(C)(C)C)cc1","CCCCSC(=Nc1cnccc1)SCc2ccc(cc2)C(C)(C)C",null,"CCCCSC(=Nc1cccnc1)SCc1ccc(C(C)(C)C)cc1","CCCCSC(=Nc1cnccc1)SCc2ccc(cc2)C(C)(C)C"]
[4810,"51338-27-3","COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",null,"COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",null,"COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",null,"COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl"]
[4811,"51440-83-6","CCOC(=S)SC(C)C(=O)O","CCOC(=S)SC(C)C(=O)O"]
[4812,"51461-71-3","COC(CN(C)C(=O)Nc1nnc(C(C)(C)C)s1)OC","COC(CN(C)C(=O)Nc1sc(nn1)C(C)(C)C)OC",null,"COC(CN(C)C(=O)Nc1nnc(C(C)(C)C)s1)OC","COC(CN(C)C(=O)Nc1sc(nn1)C(C)(C)C)OC",null,"COC(CN(C)C(=O)Nc1nnc(C(C)(C)C)s1)OC","COC(CN(C)C(=O)Nc1sc(nn1)C(C)(C)C)OC",null,"COC(CN(C)C(=O)Nc1nnc(C(C)(C)C)s1)OC","COC(CN(C)C(=O)Nc1sc(nn1)C(C)(C)C)OC"]
[4813,"51481-61-9","CN=C(NC#N)NCCSCc1nc[nH]c1C","CN=C(NC#N)NCCSCc1c([nH]cn1)C",null,"CN=C(NC#N)NCCSCc1nc[nH]c1C","CN=C(NC#N)NCCSCc1c([nH]cn1)C",null,"CNC(=NC#N)NCCSCc1nc[nH]c1C","CNC(=NC#N)NCCSCc1c([nH]cn1)C",null,"CNC(=NC#N)NCCSCc1nc[nH]c1C","CNC(=NC#N)NCCSCc1c([nH]cn1)C"]
[4814,"51487-69-5","CNC(=O)Oc1ccccc1OC(CCl)OC","CNC(=O)Oc1c(cccc1)OC(CCl)OC",null,"CNC(=O)Oc1ccccc1OC(CCl)OC","CNC(=O)Oc1c(cccc1)OC(CCl)OC",null,"CNC(=O)Oc1ccccc1OC(CCl)OC","CNC(=O)Oc1c(cccc1)OC(CCl)OC",null,"CNC(=O)Oc1ccccc1OC(CCl)OC","CNC(=O)Oc1c(cccc1)OC(CCl)OC"]
[4815,"51543-29-4","CN(c1ccccn1)S(=O)(=O)c1ccc(N)cc1","CN(c1ncccc1)S(=O)(=O)c2ccc(cc2)N",{"$nulls":7},"CN(c1ccccn1)S(=O)(=O)c1ccc(N)cc1","CN(c1ncccc1)S(=O)(=O)c2ccc(cc2)N"]
[4816,"51596-10-2",{"$nulls":3},"CC1=CCC2CC(CC3(CCC(C)C(C)O3)O2)OC(=O)C2C=C(C)C(O)C3OCC(=CC=CC(C)C1)C23O","CC=1CC(C=CC=C2COC3C(C(=CC(C(OC4CC(CC1)OC5(C4)OC(C(CC5)C)C)=O)C32O)C)O)C",{"$nulls":4},"CC1=CCC2CC(CC3(CCC(C)C(C)O3)O2)OC(=O)C2C=C(C)C(O)C3OCC(=CC=CC(C)C1)C23O","CC=1CC(C=CC=C2COC3C(C(=CC(C(OC4CC(CC1)OC5(C4)OC(C(CC5)C)C)=O)C32O)C)O)C"]
[4817,"51596-11-3",{"$nulls":3},"CCC1OC2(CCC1C)CC1CC(CC=C(C)CC(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2","CCC1C(CCC2(O1)OC3CC(C2)OC(C4C=C(C(C5OCC(=CC=CC(CC(=CC3)C)C)C54O)O)C)=O)C",null,"CCC1OC2(CCC1C)CC1CC(CC=C(C)CC(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2","CCC1C(CCC2(O1)OC3CC(C2)OC(C4C=C(C(C5OCC(=CC=CC(CC(=CC3)C)C)C54O)O)C)=O)C",null,"CCC1OC2(CCC1C)CC1CC(CC=C(C)CC(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2","CCC1C(CCC2(O1)OC3CC(C2)OC(C4C=C(C(C5OCC(=CC=CC(CC(=CC3)C)C)C54O)O)C)=O)C"]
[4818,"51630-58-1","CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl",null,"CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl",null,"CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl"]
[4819,"51707-55-2","O=C(Nc1ccccc1)Nc1cnns1","O=C(Nc1ccccc1)Nc2snnc2",null,"O=C(Nc1ccccc1)Nc1cnns1","O=C(Nc1ccccc1)Nc2snnc2",null,"O=C(Nc1ccccc1)Nc1cnns1","O=C(Nc1ccccc1)Nc2snnc2",null,"O=C(Nc1ccccc1)Nc1cnns1","O=C(Nc1ccccc1)Nc2snnc2"]
[4820,"51773-76-3"]
[4821,"51892-26-3",{"$nulls":3},"Clc1ccc(Oc2ccccc2)c(Cl)c1","Clc1cc(c(cc1)Oc2ccccc2)Cl",null,"Clc1ccc(Oc2ccccc2)c(Cl)c1","Clc1cc(c(cc1)Oc2ccccc2)Cl",null,"Clc1ccc(Oc2ccccc2)c(Cl)c1","Clc1cc(c(cc1)Oc2ccccc2)Cl"]
[4822,"51908-16-8","Clc1cc(Cl)c(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(cc(c(c2)Cl)Cl)Cl"]
[4823,"51940-44-4","CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21","CCn1c2c(c(c(c1)C(=O)O)=O)cnc(N3CCNCC3)n2",null,"CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21","CCn1c2c(c(c(c1)C(=O)O)=O)cnc(N3CCNCC3)n2",null,"CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21","CCn1c2c(c(c(c1)C(=O)O)=O)cnc(N3CCNCC3)n2",null,"CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21","CCn1c2c(c(c(c1)C(=O)O)=O)cnc(N3CCNCC3)n2"]
[4824,"51944-15-1"]
[4825,"51944-17-3"]
[4826,"51953-17-4","O=c1ccnc[nH]1","O=c1[nH]cncc1",null,"O=C1CC=NC=N1","O=C1N=CN=CC1"]
[4827,"51971-67-6",{"$nulls":3},"NC(=O)C1(N2C(=O)c3cccc(Cl)c3C2=O)CCCCC1","NC(=O)C1(CCCCC1)N2C(c3c(C2=O)cccc3Cl)=O",{"$nulls":4},"NC(=O)C1(N2C(=O)c3cccc(Cl)c3C2=O)CCCCC1","NC(=O)C1(CCCCC1)N2C(c3c(C2=O)cccc3Cl)=O"]
[4828,"52128-85-5"]
[4829,"52137-33-4","CC(CCCC(C)C(=O)O)C(=O)O","CC(CCCC(C)C(=O)O)C(=O)O"]
[4830,"52251-71-5","CCc1ccc2cc3ccccc3cc2c1","CCc1cc2c(cc1)cc3c(cccc3)c2",null,"CCc1ccc2cc3ccccc3cc2c1","CCc1cc2c(cc1)cc3c(cccc3)c2",null,"CCc1ccc2cc3ccccc3cc2c1","CCc1cc2c(cc1)cc3c(cccc3)c2",null,"CCc1ccc2cc3ccccc3cc2c1","CCc1cc2c(cc1)cc3c(cccc3)c2"]
[4831,"52315-07-8","CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",null,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",null,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C"]
[4832,"52321-05-8"]
[4833,"52363-15-2","O=C(O)CSC1CCCCC1","O=C(O)CSC1CCCCC1"]
[4834,"52387-52-7","CCC1(C)OC(=O)NC1=O","CCC1(C(NC(O1)=O)=O)C",null,"CCC1(C)OC(=O)NC1=O","CCC1(C(NC(O1)=O)=O)C",{"$nulls":4},"CCC1(C)OC(=O)NC1=O","CCC1(C(NC(O1)=O)=O)C"]
[4835,"52387-57-2","CCNCNC(=O)c1ccccc1","CCNCNC(=O)c1ccccc1"]
[4836,"52570-16-8","CC(Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1","CC(Oc1cc2c(cc1)cccc2)C(=O)Nc3ccccc3",null,"CC(Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1","CC(Oc1cc2c(cc1)cccc2)C(=O)Nc3ccccc3",null,"CC(Oc1ccc2ccccc2c1)C(O)=Nc1ccccc1","CC(Oc1cc2c(cc1)cccc2)C(O)=Nc3ccccc3",null,"CC(Oc1ccc2ccccc2c1)C(O)=Nc1ccccc1","CC(Oc1cc2c(cc1)cccc2)C(O)=Nc3ccccc3"]
[4837,"52645-53-1","CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2cc(ccc2)Oc3ccccc3)C",null,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2cc(ccc2)Oc3ccccc3)C",null,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2cc(ccc2)Oc3ccccc3)C"]
[4838,"52663-59-9","Clc1ccccc1-c1ccc(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(cc2)Cl)Cl)Cl",null,"Clc1ccccc1-c1ccc(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(cc2)Cl)Cl)Cl",null,"Clc1ccccc1-c1ccc(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(cc2)Cl)Cl)Cl",null,"Clc1ccccc1-c1ccc(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(cc2)Cl)Cl)Cl"]
[4839,"52663-60-2","Clc1cccc(-c2c(Cl)ccc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",null,"Clc1cccc(-c2c(Cl)ccc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",null,"Clc1cccc(-c2c(Cl)ccc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",null,"Clc1cccc(-c2c(Cl)ccc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(ccc2Cl)Cl)Cl)Cl"]
[4840,"52663-61-3","Clc1ccc(Cl)c(-c2cc(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2cc(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2cc(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2cc(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2)Cl)Cl)Cl"]
[4841,"52663-62-4","Clc1ccccc1-c1cc(Cl)c(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",null,"Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",null,"Clc1ccccc1-c1cc(Cl)c(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",null,"Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl"]
[4842,"52663-63-5","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl"]
[4843,"52663-64-6","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl"]
[4844,"52663-65-7","Clc1cc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl"]
[4845,"52663-67-9","Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl"]
[4846,"52663-68-0","Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl"]
[4847,"52663-69-1","Clc1cc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl"]
[4848,"52663-70-4","Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl"]
[4849,"52663-71-5","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl"]
[4850,"52663-72-6","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)cc1Cl","Clc1c(cc(c(c1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)cc1Cl","Clc1c(cc(c(c1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)cc1Cl","Clc1c(cc(c(c1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)cc1Cl","Clc1c(cc(c(c1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl)Cl"]
[4851,"52663-73-7","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl"]
[4852,"52663-74-8","Clc1cc(Cl)c(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl"]
[4853,"52663-75-9","Clc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl"]
[4854,"52663-76-0","Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl"]
[4855,"52663-77-1",{"$nulls":3},"Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl"]
[4856,"52663-78-2","Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl"]
[4857,"52663-79-3","Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl"]
[4858,"52704-70-8","Clc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl"]
[4859,"52712-04-6","Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl"]
[4860,"52712-05-7","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl"]
[4861,"52744-13-5","Clc1cc(Cl)c(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(ccc2Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(ccc2Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(ccc2Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(ccc2Cl)Cl)Cl"]
[4862,"52756-22-6","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",null,"CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",null,"CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",null,"CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl"]
[4863,"52756-25-9","COC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",null,"COC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",null,"COC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",null,"COC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl"]
[4864,"52888-80-9","CCCN(CCC)C(=O)SCc1ccccc1","CCCN(CCC)C(=O)SCc1ccccc1",null,"CCCN(CCC)C(=O)SCc1ccccc1","CCCN(CCC)C(=O)SCc1ccccc1",null,"CCCN(CCC)C(=O)SCc1ccccc1","CCCN(CCC)C(=O)SCc1ccccc1",null,"CCCN(CCC)C(=O)SCc1ccccc1","CCCN(CCC)C(=O)SCc1ccccc1"]
[4865,"52918-63-5","CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Br)Br)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",null,"CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Br)Br)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",null,"CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Br)Br)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C"]
[4866,"52926-52-0",{"$nulls":3},"CCCCC(O)CN(N=Cc1ccc([N+](=O)[O-])o1)C(N)=O","CCCCC(O)CN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O",{"$nulls":4},"CCCCC(O)CN(N=Cc1ccc([N+](=O)[O-])o1)C(N)=O","CCCCC(O)CN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O"]
[4867,"53014-37-2","O=[N+]([O-])c1cccc(N([N+](=O)[O-])[N+](=O)[O-])c1[N+](=O)[O-]","O=[N+]([O-])c1cccc(N([N+](=O)[O-])[N+](=O)[O-])c1[N+](=O)[O-]",null,"Nc1c([N+](=O)[O-])c([N+](=O)[O-])cc([N+](=O)[O-])c1[N+](=O)[O-]","Nc1c(c(cc(c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]","Nc1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"]
[4868,"53039-86-4","CC(=O)OC1C(=O)NC(=O)NC1=O","CC(=O)OC1C(NC(NC1=O)=O)=O",null,"CC(=O)OC1C(=O)NC(=O)NC1=O","CC(=O)OC1C(NC(NC1=O)=O)=O",null,"CC(=O)OC1C(=O)NC(=O)NC1=O","CC(=O)OC1C(NC(NC1=O)=O)=O",null,"CC(=O)OC1C(=O)NC(=O)NC1=O","CC(=O)OC1C(NC(NC1=O)=O)=O"]
[4869,"53112-28-0","Cc1cc(C)nc(Nc2ccccc2)n1","Cc1nc(nc(c1)C)Nc2ccccc2",null,"Cc1cc(C)nc(Nc2ccccc2)n1","Cc1nc(nc(c1)C)Nc2ccccc2",null,"Cc1cc(C)nc(Nc2ccccc2)n1","Cc1nc(nc(c1)C)Nc2ccccc2",null,"Cc1cc(C)nc(Nc2ccccc2)n1","Cc1nc(nc(c1)C)Nc2ccccc2"]
[4870,"53469-21-9","Clc1ccc(-c2ccc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl"]
[4871,"53535-33-4","CCCCCCCO","CCCCCCCO",null,"CCCCCCCO","CCCCCCCO"]
[4872,"53555-63-8","Clc1cc2c(Cl)cccc2c(Cl)c1Cl","Clc1c(c(c2c(c1)c(Cl)ccc2)Cl)Cl",null,"Clc1cc2c(Cl)cccc2c(Cl)c1Cl","Clc1c(c(c2c(c1)c(Cl)ccc2)Cl)Cl",null,"Clc1cc2c(Cl)cccc2c(Cl)c1Cl","Clc1c(c(c2c(c1)c(Cl)ccc2)Cl)Cl",null,"Clc1cc2c(Cl)cccc2c(Cl)c1Cl","Clc1c(c(c2c(c1)c(Cl)ccc2)Cl)Cl"]
[4873,"53555-64-9","Clc1cc(Cl)c2cc(Cl)cc(Cl)c2c1","Clc1cc2c(c(c1)Cl)cc(Cl)cc2Cl",null,"Clc1cc(Cl)c2cc(Cl)cc(Cl)c2c1","Clc1cc2c(c(c1)Cl)cc(Cl)cc2Cl",null,"Clc1cc(Cl)c2cc(Cl)cc(Cl)c2c1","Clc1cc2c(c(c1)Cl)cc(Cl)cc2Cl",null,"Clc1cc(Cl)c2cc(Cl)cc(Cl)c2c1","Clc1cc2c(c(c1)Cl)cc(Cl)cc2Cl"]
[4874,"53648-05-8","CC(C)Cc1ccc(C(C)C(=O)NO)cc1","CC(C)Cc1ccc(cc1)C(C)C(=O)NO",null,"CC(C)Cc1ccc(C(C)C(=O)NO)cc1","CC(C)Cc1ccc(cc1)C(C)C(=O)NO"]
[4875,"53742-07-7","Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl"]
[4876,"53744-47-1","O=S(=O)(O)c1ncc[nH]1","O=S(=O)(O)c1[nH]ccn1",{"$nulls":4},"O=S(=O)(O)c1ncc[nH]1","O=S(=O)(O)c1[nH]ccn1",null,"O=S(=O)(O)c1ncc[nH]1","O=S(=O)(O)c1[nH]ccn1"]
[4877,"53780-34-0","CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C","CC(=O)Nc1c(cc(c(c1)NS(=O)(=O)C(F)(F)F)C)C",null,"CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C","CC(=O)Nc1c(cc(c(c1)NS(=O)(=O)C(F)(F)F)C)C",null,"CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C","CC(=O)Nc1c(cc(c(c1)NS(=O)(=O)C(F)(F)F)C)C",null,"CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C","CC(=O)Nc1c(cc(c(c1)NS(=O)(=O)C(F)(F)F)C)C"]
[4878,"53808-87-0",{"$nulls":3},"COCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC","COCCOc1c(cc(cc1OC)Cc2c(nc(nc2)N)N)OC",{"$nulls":4},"COCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC","COCCOc1c(cc(cc1OC)Cc2c(nc(nc2)N)N)OC"]
[4879,"53893-44-0",{"$nulls":6},"CCCCS(=O)(=O)C(S(=O)(=O)CCCC)S(=O)(=O)CCCC","CCCCS(=O)(=O)C(S(=O)(=O)CCCC)S(=O)(=O)CCCC",null,"CCCCS(=O)(=O)C(S(=O)(=O)CCCC)S(=O)(=O)CCCC","CCCCS(=O)(=O)C(S(=O)(=O)CCCC)S(=O)(=O)CCCC"]
[4880,"53910-10-4","O=C1OCc2ccc(I)cc21","O=C1c2c(CO1)ccc(I)c2",{"$nulls":4},"O=C1OCc2ccc(I)cc21","O=C1c2c(CO1)ccc(I)c2",null,"O=C1OCc2ccc(I)cc21","O=C1c2c(CO1)ccc(I)c2"]
[4881,"53943-60-5",{"$nulls":3},"CCCCC1(C)C(=O)NC(=O)NC1=O","CCCCC1(C(NC(NC1=O)=O)=O)C",{"$nulls":4},"CCCCC1(C)C(=O)NC(=O)NC1=O","CCCCC1(C(NC(NC1=O)=O)=O)C"]
[4882,"53943-61-6",{"$nulls":6},"C=CCC1(C)C(O)=NC(=O)N=C1O","C=CCC1(C(=NC(N=C1O)=O)O)C",null,"CC(C)CC1(C)C(=O)NC(=O)NC1=O","CC(C)CC1(C(NC(NC1=O)=O)=O)C"]
[4883,"53943-64-9"]
[4884,"53993-41-2","CC=C(Cl)C(=O)O","CC=C(Cl)C(=O)O"]
[4885,"53994-73-3",{"$nulls":3},"NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CSC12)c1ccccc1","NC(C(=O)NC1C2N(C1=O)C(C(=O)O)=C(Cl)CS2)c3ccccc3",{"$nulls":4},"NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CSC12)c1ccccc1","NC(C(=O)NC1C2N(C1=O)C(C(=O)O)=C(Cl)CS2)c3ccccc3"]
[4886,"54016-23-8","CC(C)(NC(=O)c1ccccc1)C(N)=O","CC(C)(NC(=O)c1ccccc1)C(N)=O",null,"CC(C)(NC(=O)c1ccccc1)C(N)=O","CC(C)(NC(=O)c1ccccc1)C(N)=O",null,"CC(C)(N=C(O)c1ccccc1)C(=N)O","CC(C)(N=C(O)c1ccccc1)C(=N)O",null,"CC(C)(N=C(O)c1ccccc1)C(=N)O","CC(C)(N=C(O)c1ccccc1)C(=N)O"]
[4887,"54135-80-7","COc1ccc(Cl)c(Cl)c1Cl","COc1c(c(c(cc1)Cl)Cl)Cl",null,"COc1ccc(Cl)c(Cl)c1Cl","COc1c(c(c(cc1)Cl)Cl)Cl",null,"COc1ccc(Cl)c(Cl)c1Cl","COc1c(c(c(cc1)Cl)Cl)Cl",null,"COc1ccc(Cl)c(Cl)c1Cl","COc1c(c(c(cc1)Cl)Cl)Cl"]
[4888,"54345-92-5"]
[4889,"54381-71-4","O=[N+]([O-])Nc1c(Br)cccc1Br","O=[N+]([O-])Nc1c(cccc1Br)Br"]
[4890,"54406-48-3","C#CC(OC(=O)C1C(C=C(C)C)C1(C)C)C(C)=CCC","C#CC(OC(=O)C1C(C1C=C(C)C)(C)C)C(C)=CCC",null,"C#CC(OC(=O)C1C(C=C(C)C)C1(C)C)C(C)=CCC","C#CC(OC(=O)C1C(C1C=C(C)C)(C)C)C(C)=CCC",null,"C#CC(OC(=O)C1C(C=C(C)C)C1(C)C)C(C)=CCC","C#CC(OC(=O)C1C(C1C=C(C)C)(C)C)C(C)=CCC",null,"C#CC(OC(=O)C1C(C=C(C)C)C1(C)C)C(C)=CCC","C#CC(OC(=O)C1C(C1C=C(C)C)(C)C)C(C)=CCC"]
[4891,"54496-86-5"]
[4892,"54535-60-3","CCCCC(=O)NCCNC(=O)CCCC","CCCCC(=O)NCCNC(=O)CCCC",null,"CCCCC(=O)NCCNC(=O)CCCC","CCCCC(=O)NCCNC(=O)CCCC",null,"CCCCC(=O)NCCNC(=O)CCCC","CCCCC(=O)NCCNC(=O)CCCC",null,"CCCCC(=O)NCCNC(=O)CCCC","CCCCC(=O)NCCNC(=O)CCCC"]
[4893,"54593-83-8","CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl","CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl",null,"CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl","CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl",null,"CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl","CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl",null,"CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl","CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl"]
[4894,"54634-49-0","O=NN1CCCC1=O","O=NN1C(CCC1)=O",null,"O=NN1CCCC1=O","O=NN1C(CCC1)=O",null,"O=NN1CCCC1=O","O=NN1C(CCC1)=O",null,"O=NN1CCCC1=O","O=NN1C(CCC1)=O"]
[4895,"54831-20-8","CCC(C)C(NC(C)=O)C(=O)O","CCC(C)C(NC(C)=O)C(=O)O",{"$nulls":4},"CCC(C)C(N=C(C)O)C(=O)O","CCC(C)C(N=C(C)O)C(=O)O",null,"CCC(C)C(N=C(C)O)C(=O)O","CCC(C)C(N=C(C)O)C(=O)O"]
[4896,"54839-91-7","CSc1cc(O)cc(O)c1","CSc1cc(cc(c1)O)O",{"$nulls":4},"CSc1cc(O)cc(O)c1","CSc1cc(cc(c1)O)O",null,"CSc1cc(O)cc(O)c1","CSc1cc(cc(c1)O)O"]
[4897,"54839-92-8","CCCCSc1cc(O)cc(O)c1","CCCCSc1cc(cc(c1)O)O",{"$nulls":4},"CCCCSc1cc(O)cc(O)c1","CCCCSc1cc(cc(c1)O)O",null,"CCCCSc1cc(O)cc(O)c1","CCCCSc1cc(cc(c1)O)O"]
[4898,"54896-21-8","CCCCC(NC(C)=O)C(=O)O","CCCCC(NC(C)=O)C(=O)O",null,"CCCCC(NC(C)=O)C(=O)O","CCCCC(NC(C)=O)C(=O)O"]
[4899,"55179-31-2","CC(C)(C)C(O)C(Oc1ccc(-c2ccccc2)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)-c2ccccc2)n3ncnc3",null,"CC(C)(C)C(O)C(Oc1ccc(-c2ccccc2)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)-c2ccccc2)n3ncnc3",null,"CC(C)(C)C(O)C(Oc1ccc(-c2ccccc2)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)-c2ccccc2)n3ncnc3",null,"CC(C)(C)C(O)C(Oc1ccc(-c2ccccc2)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)-c2ccccc2)n3ncnc3"]
[4900,"55215-17-3","Clc1ccccc1-c1c(Cl)cc(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl",null,"Clc1ccccc1-c1c(Cl)cc(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl",null,"Clc1ccccc1-c1c(Cl)cc(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl",null,"Clc1ccccc1-c1c(Cl)cc(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl"]
[4901,"55215-18-4","Clc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",null,"Clc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",null,"Clc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",null,"Clc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl"]
[4902,"55219-65-3","CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2",null,"CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2",null,"CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2",null,"CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2"]
[4903,"55242-55-2","CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C","CCCn1c2c(nc1)n(c(n(c2=O)CCCCC(C)=O)=O)C",null,"CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C","CCCn1c2c(nc1)n(c(n(c2=O)CCCCC(C)=O)=O)C",null,"CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C","CCCn1c2c(nc1)n(c(n(c2=O)CCCCC(C)=O)=O)C",null,"CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C","CCCn1c2c(nc1)n(c(n(c2=O)CCCCC(C)=O)=O)C"]
[4904,"55268-74-1","O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1","O=C(C1CCCCC1)N2CC3N(C(C2)=O)CCc4c3cccc4",null,"O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1","O=C(C1CCCCC1)N2CC3N(C(C2)=O)CCc4c3cccc4",null,"O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1","O=C(C1CCCCC1)N2CC3N(C(C2)=O)CCc4c3cccc4",null,"O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1","O=C(C1CCCCC1)N2CC3N(C(C2)=O)CCc4c3cccc4"]
[4905,"55283-68-6","C=C(C)CN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","C=C(C)CN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",null,"C=C(C)CN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","C=C(C)CN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",null,"C=C(C)CN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","C=C(C)CN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",null,"C=C(C)CN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","C=C(C)CN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]"]
[4906,"55285-14-8",{"$nulls":3},"CCCCN(CCCC)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2","CCCCN(CCCC)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C"]
[4907,"55290-64-7","CC1=C(C)S(=O)(=O)CCS1(=O)=O","CC=1S(CCS(C1C)(=O)=O)(=O)=O",null,"CC1=C(C)S(=O)(=O)CCS1(=O)=O","CC=1S(CCS(C1C)(=O)=O)(=O)=O",null,"CC1=C(C)S(=O)(=O)CCS1(=O)=O","CC=1S(CCS(C1C)(=O)=O)(=O)=O",null,"CC1=C(C)S(=O)(=O)CCS1(=O)=O","CC=1S(CCS(C1C)(=O)=O)(=O)=O"]
[4908,"55312-69-1","Clc1ccccc1-c1cc(Cl)c(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",null,"Clc1ccccc1-c1cc(Cl)c(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",null,"Clc1ccccc1-c1cc(Cl)c(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",null,"Clc1ccccc1-c1cc(Cl)c(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl"]
[4909,"55312-81-7","CCCOP(=O)(OCC)OCCC","CCCOP(=O)(OCC)OCCC",{"$nulls":4},"CCCOP(=O)(OCC)OCCC","CCCOP(=O)(OCC)OCCC",null,"CCCOP(=O)(OCC)OCCC","CCCOP(=O)(OCC)OCCC"]
[4910,"55330-78-4","c1ccc(N2CCSCC2)cc1","c1ccc(cc1)N2CCSCC2",null,"c1ccc(N2CCSCC2)cc1","c1ccc(cc1)N2CCSCC2",null,"c1ccc(N2CCSCC2)cc1","c1ccc(cc1)N2CCSCC2",null,"c1ccc(N2CCSCC2)cc1","c1ccc(cc1)N2CCSCC2"]
[4911,"55335-06-3","O=C(O)COc1nc(Cl)c(Cl)cc1Cl","O=C(O)COc1c(cc(c(n1)Cl)Cl)Cl",null,"O=C(O)COc1nc(Cl)c(Cl)cc1Cl","O=C(O)COc1c(cc(c(n1)Cl)Cl)Cl",null,"O=C(O)COc1nc(Cl)c(Cl)cc1Cl","O=C(O)COc1c(cc(c(n1)Cl)Cl)Cl",null,"O=C(O)COc1nc(Cl)c(Cl)cc1Cl","O=C(O)COc1c(cc(c(n1)Cl)Cl)Cl"]
[4912,"55511-98-3","CN1CC(O)N(c2nnc(C(C)(C)C)s2)C1=O","CN1C(N(C(C1)O)c2sc(nn2)C(C)(C)C)=O",null,"CN1CC(O)N(c2nnc(C(C)(C)C)s2)C1=O","CN1C(N(C(C1)O)c2sc(nn2)C(C)(C)C)=O",null,"CN1CC(O)N(c2nnc(C(C)(C)C)s2)C1=O","CN1C(N(C(C1)O)c2sc(nn2)C(C)(C)C)=O",null,"CN1CC(O)N(c2nnc(C(C)(C)C)s2)C1=O","CN1C(N(C(C1)O)c2sc(nn2)C(C)(C)C)=O"]
[4913,"55512-33-9","CCCCCCCCSC(=O)Oc1cc(Cl)nnc1-c1ccccc1","CCCCCCCCSC(=O)Oc1c(nnc(c1)Cl)-c2ccccc2",null,"CCCCCCCCSC(=O)Oc1cc(Cl)nnc1-c1ccccc1","CCCCCCCCSC(=O)Oc1c(nnc(c1)Cl)-c2ccccc2",null,"CCCCCCCCSC(=O)Oc1cc(Cl)nnc1-c1ccccc1","CCCCCCCCSC(=O)Oc1c(nnc(c1)Cl)-c2ccccc2",null,"CCCCCCCCSC(=O)Oc1cc(Cl)nnc1-c1ccccc1","CCCCCCCCSC(=O)Oc1c(nnc(c1)Cl)-c2ccccc2"]
[4914,"55538-69-7",{"$nulls":3},"Clc1ccc(Oc2ccccc2)cc1Cl","Clc1c(cc(cc1)Oc2ccccc2)Cl",null,"Clc1ccc(Oc2ccccc2)cc1Cl","Clc1c(cc(cc1)Oc2ccccc2)Cl",null,"Clc1ccc(Oc2ccccc2)cc1Cl","Clc1c(cc(cc1)Oc2ccccc2)Cl"]
[4915,"55645-89-1"]
[4916,"55702-45-9","Clc1ccc(Cl)c(-c2ccccc2)c1Cl","Clc1c(c(c(cc1)Cl)-c2ccccc2)Cl",null,"Clc1ccc(Cl)c(-c2ccccc2)c1Cl","Clc1c(c(c(cc1)Cl)-c2ccccc2)Cl",null,"Clc1ccc(Cl)c(-c2ccccc2)c1Cl","Clc1c(c(c(cc1)Cl)-c2ccccc2)Cl",null,"Clc1ccc(Cl)c(-c2ccccc2)c1Cl","Clc1c(c(c(cc1)Cl)-c2ccccc2)Cl"]
[4917,"55702-46-0","Clc1ccc(-c2ccccc2)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2ccccc2)Cl)Cl",null,"Clc1ccc(-c2ccccc2)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2ccccc2)Cl)Cl",null,"Clc1ccc(-c2ccccc2)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2ccccc2)Cl)Cl",null,"Clc1ccc(-c2ccccc2)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2ccccc2)Cl)Cl"]
[4918,"55704-91-1","O=[N+]([O-])Nc1ccccc1[N+](=O)[O-]","O=[N+]([O-])Nc1c(cccc1)[N+](=O)[O-]"]
[4919,"55720-37-1","Clc1cc(Cl)c2cc(Cl)ccc2c1","Clc1cc2c(c(c1)Cl)cc(Cl)cc2",null,"Clc1cc(Cl)c2cc(Cl)ccc2c1","Clc1cc2c(c(c1)Cl)cc(Cl)cc2",null,"Clc1cc(Cl)c2cc(Cl)ccc2c1","Clc1cc2c(c(c1)Cl)cc(Cl)cc2",null,"Clc1cc(Cl)c2cc(Cl)ccc2c1","Clc1cc2c(c(c1)Cl)cc(Cl)cc2"]
[4920,"55720-40-6","Clc1ccc2cc(Cl)c(Cl)cc2c1","Clc1cc2c(cc1)cc(Cl)c(Cl)c2",null,"Clc1ccc2cc(Cl)c(Cl)cc2c1","Clc1cc2c(cc1)cc(Cl)c(Cl)c2",null,"Clc1ccc2cc(Cl)c(Cl)cc2c1","Clc1cc2c(cc1)cc(Cl)c(Cl)c2",null,"Clc1ccc2cc(Cl)c(Cl)cc2c1","Clc1cc2c(cc1)cc(Cl)c(Cl)c2"]
[4921,"55720-43-9","Clc1cc2c(Cl)ccc(Cl)c2cc1Cl","Clc1c(cc2c(c1)c(Cl)ccc2Cl)Cl",null,"Clc1cc2c(Cl)ccc(Cl)c2cc1Cl","Clc1c(cc2c(c1)c(Cl)ccc2Cl)Cl",null,"Clc1cc2c(Cl)ccc(Cl)c2cc1Cl","Clc1c(cc2c(c1)c(Cl)ccc2Cl)Cl",null,"Clc1cc2c(Cl)ccc(Cl)c2cc1Cl","Clc1c(cc2c(c1)c(Cl)ccc2Cl)Cl"]
[4922,"55774-20-4","Cc1cc(=O)n(-c2ccccc2)[nH]1","Cc1[nH]n(c(c1)=O)-c2ccccc2",{"$nulls":4},"Cc1cc(=O)n(-c2ccccc2)[nH]1","Cc1[nH]n(c(c1)=O)-c2ccccc2"]
[4923,"55814-41-0","Cc1ccccc1C(=O)Nc1cccc(OC(C)C)c1","Cc1c(cccc1)C(=O)Nc2cc(ccc2)OC(C)C",null,"Cc1ccccc1C(=O)Nc1cccc(OC(C)C)c1","Cc1c(cccc1)C(=O)Nc2cc(ccc2)OC(C)C",null,"Cc1ccccc1C(=O)Nc1cccc(OC(C)C)c1","Cc1c(cccc1)C(=O)Nc2cc(ccc2)OC(C)C",null,"Cc1ccccc1C(=O)Nc1cccc(OC(C)C)c1","Cc1c(cccc1)C(=O)Nc2cc(ccc2)OC(C)C"]
[4924,"55861-78-4","CN(C)C(=O)Nc1cc(C(C)(C)C)on1","CN(C)C(=O)Nc1noc(c1)C(C)(C)C",null,"CN(C)C(=O)Nc1cc(C(C)(C)C)on1","CN(C)C(=O)Nc1noc(c1)C(C)(C)C",null,"CN(C)C(=O)Nc1cc(C(C)(C)C)on1","CN(C)C(=O)Nc1noc(c1)C(C)(C)C",null,"CN(C)C(=O)Nc1cc(C(C)(C)C)on1","CN(C)C(=O)Nc1noc(c1)C(C)(C)C"]
[4925,"56030-54-7","CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1","CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3sccc3)COC",null,"CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1","CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3sccc3)COC",null,"CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1","CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3sccc3)COC",null,"CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1","CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3sccc3)COC"]
[4926,"56030-56-9","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl"]
[4927,"56070-16-7","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C",null,"CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C",null,"CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C",null,"CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C"]
[4928,"56298-90-9","CCCC(C)CC(C)O","CCCC(C)CC(C)O",null,"CCCC(C)CC(C)O","CCCC(C)CC(C)O",null,"CCCC(C)CC(C)O","CCCC(C)CC(C)O",null,"CCCC(C)CC(C)O","CCCC(C)CC(C)O"]
[4929,"56403-08-8","O=C1CCCCCNC(=O)CCCCCNC(=O)CCCCCN1","O=C1NCCCCCC(NCCCCCC(NCCCCC1)=O)=O"]
[4930,"56425-91-3","CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c1cncnc1","CC(C)C(O)(c1ccc(cc1)OC(F)(F)F)c2cncnc2",null,"CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c1cncnc1","CC(C)C(O)(c1ccc(cc1)OC(F)(F)F)c2cncnc2",null,"CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c1cncnc1","CC(C)C(O)(c1ccc(cc1)OC(F)(F)F)c2cncnc2",null,"CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c1cncnc1","CC(C)C(O)(c1ccc(cc1)OC(F)(F)F)c2cncnc2"]
[4931,"56485-04-2","O=CC(=O)Cc1ccccc1","O=CC(=O)Cc1ccccc1",null,"O=CC(=O)Cc1ccccc1","O=CC(=O)Cc1ccccc1",{"$nulls":4},"O=CC(=O)Cc1ccccc1","O=CC(=O)Cc1ccccc1"]
[4932,"56558-16-8","Clc1cc(Cl)c(-c2c(Cl)cccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cccc2Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)cccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cccc2Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)cccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cccc2Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)cccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cccc2Cl)Cl)Cl"]
[4933,"56558-17-9","Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2cc(c(cc2)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2cc(c(cc2)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2cc(c(cc2)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2cc(c(cc2)Cl)Cl)Cl"]
[4934,"56558-18-0","Clc1cc(Cl)cc(-c2c(Cl)cc(Cl)cc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl",null,"Clc1cc(Cl)cc(-c2c(Cl)cc(Cl)cc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl",null,"Clc1cc(Cl)cc(-c2c(Cl)cc(Cl)cc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl",null,"Clc1cc(Cl)cc(-c2c(Cl)cc(Cl)cc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl"]
[4935,"56563-17-8",{"$nulls":3},"O=C(Nc1ccccc1)n1cc(F)c(=O)[nH]c1=O","O=C(Nc1ccccc1)n2c([nH]c(c(c2)F)=O)=O",null,"O=c1nc(O)c(F)cn1C(O)=Nc1ccccc1","O=c1n(cc(c(n1)O)F)C(O)=Nc2ccccc2",null,"O=c1nc(O)c(F)cn1C(O)=Nc1ccccc1","O=c1n(cc(c(n1)O)F)C(O)=Nc2ccccc2"]
[4936,"56563-18-9",{"$nulls":3},"CNC(=O)n1cc(F)c(=O)[nH]c1=O","CNC(=O)n1c([nH]c(c(c1)F)=O)=O",{"$nulls":4},"CNC(=O)n1cc(F)c(=O)[nH]c1=O","CNC(=O)n1c([nH]c(c(c1)F)=O)=O"]
[4937,"56803-37-3","CC(C)(C)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1","CC(C)(C)c1c(cccc1)OP(=O)(Oc2ccccc2)Oc3ccccc3",null,"CC(C)(C)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1","CC(C)(C)c1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3ccccc3",{"$nulls":4},"*C(C)(C)C","*C(C)(C)C","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3(1)"]
[4938,"57018-04-9","COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl","COP(=S)(OC)Oc1c(cc(cc1Cl)C)Cl",null,"COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl","COP(=S)(OC)Oc1c(cc(cc1Cl)C)Cl",null,"COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl","COP(=S)(OC)Oc1c(cc(cc1Cl)C)Cl",null,"COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl","COP(=S)(OC)Oc1c(cc(cc1Cl)C)Cl"]
[4939,"57052-04-7","CSc1nnc(C(C)(C)C)c(=O)n1N=CC(C)C","CSc1n(c(c(nn1)C(C)(C)C)=O)N=CC(C)C",null,"CSc1nnc(C(C)(C)C)c(=O)n1N=CC(C)C","CSc1n(c(c(nn1)C(C)(C)C)=O)N=CC(C)C",null,"CSc1nnc(C(C)(C)C)c(=O)n1N=CC(C)C","CSc1n(c(c(nn1)C(C)(C)C)=O)N=CC(C)C",null,"CSc1nnc(C(C)(C)C)c(=O)n1N=CC(C)C","CSc1n(c(c(nn1)C(C)(C)C)=O)N=CC(C)C"]
[4940,"57057-83-7","COc1c(O)cc(Cl)c(Cl)c1Cl","COc1c(c(c(cc1O)Cl)Cl)Cl",null,"COc1c(O)cc(Cl)c(Cl)c1Cl","COc1c(c(c(cc1O)Cl)Cl)Cl",null,"COc1c(O)cc(Cl)c(Cl)c1Cl","COc1c(c(c(cc1O)Cl)Cl)Cl",null,"COc1c(O)cc(Cl)c(Cl)c1Cl","COc1c(c(c(cc1O)Cl)Cl)Cl"]
[4941,"57117-31-4","Clc1cc2oc3c(Cl)c(Cl)c(Cl)cc3c2cc1Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3Cl)Cl)Cl)Cl",null,"Clc1cc2oc3c(Cl)c(Cl)c(Cl)cc3c2cc1Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3Cl)Cl)Cl)Cl",null,"Clc1cc2oc3c(Cl)c(Cl)c(Cl)cc3c2cc1Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3Cl)Cl)Cl)Cl",null,"Clc1cc2oc3c(Cl)c(Cl)c(Cl)cc3c2cc1Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3Cl)Cl)Cl)Cl"]
[4942,"57187-73-2","Nc1ccc(S(N)(=O)=O)cn1","Nc1ncc(cc1)S(N)(=O)=O",{"$nulls":4},"Nc1ccc(S(N)(=O)=O)cn1","Nc1ncc(cc1)S(N)(=O)=O",null,"Nc1ccc(S(N)(=O)=O)cn1","Nc1ncc(cc1)S(N)(=O)=O"]
[4943,"57229-74-0","NC(=O)CC(O)C(=O)O","NC(=O)CC(O)C(=O)O",{"$nulls":7},"NC(=O)CC(O)C(=O)O","NC(=O)CC(O)C(=O)O"]
[4944,"57319-65-0","Nc1ccc2c(c1)C(=O)OC2","Nc1cc2c(cc1)COC2=O",null,"Nc1ccc2c(c1)C(=O)OC2","Nc1cc2c(cc1)COC2=O",null,"Nc1ccc2c(c1)C(=O)OC2","Nc1cc2c(cc1)COC2=O",null,"Nc1ccc2c(c1)C(=O)OC2","Nc1cc2c(cc1)COC2=O"]
[4945,"57369-32-1","O=C1CCc2cccc3c2N1CC3","O=C1N2c3c(CC1)cccc3CC2",null,"O=C1CCc2cccc3c2N1CC3","O=C1N2c3c(CC1)cccc3CC2",null,"O=C1CCc2cccc3c2N1CC3","O=C1N2c3c(CC1)cccc3CC2",null,"O=C1CCc2cccc3c2N1CC3","O=C1N2c3c(CC1)cccc3CC2"]
[4946,"57375-63-0","CCN(C(=O)Oc1cccc(NC(=O)OC(C)C)c1)c1ccccc1","CCN(C(=O)Oc1cc(ccc1)NC(=O)OC(C)C)c2ccccc2",null,"CCN(C(=O)Oc1cccc(NC(=O)OC(C)C)c1)c1ccccc1","CCN(C(=O)Oc1cc(ccc1)NC(=O)OC(C)C)c2ccccc2",null,"CCN(C(=O)Oc1cccc(NC(=O)OC(C)C)c1)c1ccccc1","CCN(C(=O)Oc1cc(ccc1)NC(=O)OC(C)C)c2ccccc2",null,"CCN(C(=O)Oc1cccc(NC(=O)OC(C)C)c1)c1ccccc1","CCN(C(=O)Oc1cc(ccc1)NC(=O)OC(C)C)c2ccccc2"]
[4947,"57381-79-0","FC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)n2cncn2)c1","FC(F)(F)c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4ncnc4",{"$nulls":4},"FC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)n2cncn2)c1","FC(F)(F)c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4ncnc4"]
[4948,"57440-16-1","CC(=O)N(C)CCOC(=O)c1ccccc1","CC(=O)N(C)CCOC(=O)c1ccccc1",{"$nulls":4},"CC(=O)N(C)CCOC(=O)c1ccccc1","CC(=O)N(C)CCOC(=O)c1ccccc1",null,"CC(=O)N(C)CCOC(=O)c1ccccc1","CC(=O)N(C)CCOC(=O)c1ccccc1"]
[4949,"57646-30-7","COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C","COC(=O)C(C)N(C(=O)c1occc1)c2c(cccc2C)C",null,"COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C","COC(=O)C(C)N(C(=O)c1occc1)c2c(cccc2C)C",null,"COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C","COC(=O)C(C)N(C(=O)c1occc1)c2c(cccc2C)C",null,"COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C","COC(=O)C(C)N(C(=O)c1occc1)c2c(cccc2C)C"]
[4950,"57837-19-1","COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC",null,"COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC",null,"COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC",null,"COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC"]
[4951,"57966-95-7","CCNC(=O)NC(=O)C(C#N)=NOC","CCNC(=O)NC(=O)C(C#N)=NOC",null,"CCNC(=O)NC(=O)C(C#N)=NOC","CCNC(=O)NC(=O)C(C#N)=NOC",null,"CCNC(=O)NC(=O)C(C#N)=NOC","CCNC(=O)NC(=O)C(C#N)=NOC",null,"CCNC(=O)NC(=O)C(C#N)=NOC","CCNC(=O)NC(=O)C(C#N)=NOC"]
[4952,"57973-67-8","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",null,"CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",null,"CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",null,"CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl"]
[4953,"58010-91-6","Cc1ccc(N=Nc2cc(C)ccc2N)cc1","Cc1ccc(cc1)N=Nc2c(ccc(c2)C)N",null,"Cc1ccc(N=Nc2cc(C)ccc2N)cc1","Cc1ccc(cc1)N=Nc2c(ccc(c2)C)N",{"$nulls":4},"Cc1ccc(N=Nc2cc(C)ccc2N)cc1","Cc1ccc(cc1)N=Nc2c(ccc(c2)C)N"]
[4954,"58011-68-0","O=C([O-])c1cc[nH]n1","O=C(O)c1n[nH]cc1",null,"Cc1ccc(S(=O)(=O)Oc2c(C(=O)c3ccc(Cl)cc3Cl)c(C)nn2C)cc1","Cc1ccc(cc1)S(=O)(=O)Oc2n(nc(c2C(=O)c3c(cc(cc3)Cl)Cl)C)C",null,"Cc1ccc(S(=O)(=O)Oc2c(C(=O)c3ccc(Cl)cc3Cl)c(C)nn2C)cc1","Cc1ccc(cc1)S(=O)(=O)Oc2n(nc(c2C(=O)c3c(cc(cc3)Cl)Cl)C)C",null,"Cc1ccc(S(=O)(=O)Oc2c(C(=O)c3ccc(Cl)cc3Cl)c(C)nn2C)cc1","Cc1ccc(cc1)S(=O)(=O)Oc2n(nc(c2C(=O)c3c(cc(cc3)Cl)Cl)C)C"]
[4955,"58042-95-8","CCC1(CC)C(=O)NC(=O)N=C1N","CCC1(C(=NC(NC1=O)=O)N)CC",null,"CCC1(CC)C(=O)NC(=O)N=C1N","CCC1(C(=NC(NC1=O)=O)N)CC",null,"CCC1(CC)C(=O)NC(=O)N=C1N","CCC1(C(=NC(NC1=O)=O)N)CC",null,"CCC1(CC)C(=O)NC(=O)N=C1N","CCC1(C(=NC(NC1=O)=O)N)CC"]
[4956,"58266-38-9"]
[4957,"58266-39-0"]
[4958,"58335-58-3","CC1OC(=O)c2cc([N+](=O)[O-])ccc21","CC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2",{"$nulls":4},"CC1OC(=O)c2cc([N+](=O)[O-])ccc21","CC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2",null,"CC1OC(=O)c2cc([N+](=O)[O-])ccc21","CC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2"]
[4959,"58528-60-2","Cc1cc(N(CCO)CCO)ccc1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl","Cc1c(ccc(c1)N(CCO)CCO)N=Nc2c(cc(cc2Cl)[N+](=O)[O-])Cl","[2H]IS(1)","Cc1cc(N(CCO)CCO)ccc1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl","Cc1c(ccc(c1)N(CCO)CCO)N=Nc2c(cc(cc2Cl)[N+](=O)[O-])Cl","[2H]IS(1)"]
[4960,"58585-89-0","Nc1c(Br)cc(Br)c(S(=O)(=O)O)c1Br","Nc1c(c(c(cc1Br)Br)S(=O)(=O)O)Br",{"$nulls":4},"Nc1c(Br)cc(Br)c(S(=O)(=O)O)c1Br","Nc1c(c(c(cc1Br)Br)S(=O)(=O)O)Br",null,"Nc1c(Br)cc(Br)c(S(=O)(=O)O)c1Br","Nc1c(c(c(cc1Br)Br)S(=O)(=O)O)Br"]
[4961,"58667-63-3","CC(C(=O)O)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C(=O)O)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",null,"CC(C(=O)O)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C(=O)O)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",null,"CC(C(=O)O)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C(=O)O)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",null,"CC(C(=O)O)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C(=O)O)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl"]
[4962,"58810-48-3","Cc1cccc(C)c1N(C(=O)CCl)C1CCOC1=O","Cc1c(c(ccc1)C)N(C(=O)CCl)C2C(OCC2)=O",null,"Cc1cccc(C)c1N(C(=O)CCl)C1CCOC1=O","Cc1c(c(ccc1)C)N(C(=O)CCl)C2C(OCC2)=O",null,"Cc1cccc(C)c1N(C(=O)CCl)C1CCOC1=O","Cc1c(c(ccc1)C)N(C(=O)CCl)C2C(OCC2)=O",null,"Cc1cccc(C)c1N(C(=O)CCl)C1CCOC1=O","Cc1c(c(ccc1)C)N(C(=O)CCl)C2C(OCC2)=O"]
[4963,"58850-93-4","CCCCC(CC)C(=O)NC(N)=O","CCCCC(CC)C(=O)NC(N)=O",null,"CCCCC(CC)C(=O)NC(N)=O","CCCCC(CC)C(=O)NC(N)=O",null,"CCCCC(CC)C(=O)NC(N)=O","CCCCC(CC)C(=O)NC(N)=O",null,"CCCCC(CC)C(=O)NC(N)=O","CCCCC(CC)C(=O)NC(N)=O"]
[4964,"58944-05-1"]
[4965,"58944-06-2",{"$nulls":9},"Cn1ccsc1=NS(=O)(=O)c1ccc(N)cc1","Cn1c(scc1)=NS(=O)(=O)c2ccc(cc2)N"]
[4966,"58954-22-6","CCc1nc(C(=O)O)c(C(=O)O)[nH]1","CCc1[nH]c(c(n1)C(=O)O)C(=O)O"]
[4967,"58954-23-7","CCCc1nc(C(=O)O)c(C(=O)O)[nH]1","CCCc1[nH]c(c(n1)C(=O)O)C(=O)O",{"$nulls":4},"CCCc1nc(C(=O)O)c(C(=O)O)[nH]1","CCCc1[nH]c(c(n1)C(=O)O)C(=O)O",null,"CCCc1nc(C(=O)O)c(C(=O)O)[nH]1","CCCc1[nH]c(c(n1)C(=O)O)C(=O)O"]
[4968,"58994-96-0","COC1OC(CNC(=O)N(CCCl)N=O)C(O)C(O)C1O","COC1C(C(C(C(O1)CNC(=O)N(CCCl)N=O)O)O)O",null,"COC1OC(CNC(=O)N(CCCl)N=O)C(O)C(O)C1O","COC1C(C(C(C(O1)CNC(=O)N(CCCl)N=O)O)O)O"]
[4969,"59039-21-3",{"$nulls":3},"Clc1ccc(Oc2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",null,"Clc1ccc(Oc2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",null,"Clc1ccc(Oc2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl"]
[4970,"59259-32-4","CCCOP(=O)(OC)OC","CCCOP(=O)(OC)OC",{"$nulls":4},"CCCOP(=O)(OC)OC","CCCOP(=O)(OC)OC",null,"CCCOP(=O)(OC)OC","CCCOP(=O)(OC)OC"]
[4971,"59277-89-3","Nc1nc(=O)c2ncn(COCCO)c2[nH]1","Nc1[nH]c2c(c(n1)=O)ncn2COCCO",null,"Nc1nc(=O)c2ncn(COCCO)c2[nH]1","Nc1[nH]c2c(c(n1)=O)ncn2COCCO",null,"Nc1nc2c(ncn2COCCO)c(=O)[nH]1","Nc1[nH]c(c2c(n1)n(cn2)COCCO)=O",null,"Nc1nc2c(ncn2COCCO)c(=O)[nH]1","Nc1[nH]c(c2c(n1)n(cn2)COCCO)=O"]
[4972,"59291-64-4","Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},"Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl"]
[4973,"59320-76-2","CC(C)C=CCC(=O)O","CC(C)C=CCC(=O)O",{"$nulls":4},"CC(C)C=CCC(=O)O","CC(C)C=CCC(=O)O",null,"CC(C)C=CCC(=O)O","CC(C)C=CCC(=O)O"]
[4974,"59669-26-0","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC",null,"CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC",null,"CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC",null,"CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC"]
[4975,"59756-60-4","Cn1cc(-c2ccccc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1","Cn1cc(c(c(c1)-c2ccccc2)=O)-c3cc(ccc3)C(F)(F)F",null,"Cn1cc(-c2ccccc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1","Cn1cc(c(c(c1)-c2ccccc2)=O)-c3cc(ccc3)C(F)(F)F",null,"Cn1cc(-c2ccccc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1","Cn1cc(c(c(c1)-c2ccccc2)=O)-c3cc(ccc3)C(F)(F)F",null,"Cn1cc(-c2ccccc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1","Cn1cc(c(c(c1)-c2ccccc2)=O)-c3cc(ccc3)C(F)(F)F"]
[4976,"59857-86-2","COC(=O)C1CC(=O)N(C)C1","COC(=O)C1CN(C(C1)=O)C",null,"COC(=O)C1CC(=O)N(C)C1","COC(=O)C1CN(C(C1)=O)C"]
[4977,"59923-03-4","CCOc1ccccc1C=CC(=O)O","CCOc1c(cccc1)C=CC(=O)O",null,"CCOc1ccccc1C=CC(=O)[O-]","CCOc1c(cccc1)C=CC(=O)O",{"$nulls":4},"CCOc1ccccc1C=CC(=O)[O-]","CCOc1c(cccc1)C=CC(=O)O"]
[4978,"60145-21-3","Clc1cc(Cl)c(-c2cc(Cl)ccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(ccc(c2)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cc(Cl)ccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(ccc(c2)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cc(Cl)ccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(ccc(c2)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cc(Cl)ccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(ccc(c2)Cl)Cl)Cl"]
[4979,"60145-22-4","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl"]
[4980,"60145-23-5","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl"]
[4981,"60154-00-9","CC(C)(S(C)(=O)=O)S(C)(=O)=O","CC(C)(S(C)(=O)=O)S(C)(=O)=O",null,"CC(C)(S(C)(=O)=O)S(C)(=O)=O","CC(C)(S(C)(=O)=O)S(C)(=O)=O",null,"CC(C)(S(C)(=O)=O)S(C)(=O)=O","CC(C)(S(C)(=O)=O)S(C)(=O)=O",null,"CC(C)(S(C)(=O)=O)S(C)(=O)=O","CC(C)(S(C)(=O)=O)S(C)(=O)=O"]
[4982,"60154-05-4","Cn1cc(I)ccc1=O","Cn1c(ccc(c1)I)=O",{"$nulls":4},"Cn1cc(I)ccc1=O","Cn1c(ccc(c1)I)=O",null,"Cn1cc(I)ccc1=O","Cn1c(ccc(c1)I)=O"]
[4983,"60166-93-0","CC(O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I","CC(O)C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I",null,"CC(O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I","CC(O)C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I",null,"CC(O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I","CC(O)C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I",null,"CC(O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I","CC(O)C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I"]
[4984,"60168-88-9","OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl","OC(c1ccc(cc1)Cl)(c2cncnc2)c3c(cccc3)Cl",null,"OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl","OC(c1ccc(cc1)Cl)(c2cncnc2)c3c(cccc3)Cl",null,"OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl","OC(c1ccc(cc1)Cl)(c2cncnc2)c3c(cccc3)Cl",null,"OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl","OC(c1ccc(cc1)Cl)(c2cncnc2)c3c(cccc3)Cl"]
[4985,"60207-31-0",{"$nulls":3},"Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1","Clc1cc(c(cc1)C2(OCCO2)Cn3ncnc3)Cl",null,"Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1","Clc1cc(c(cc1)C2(OCCO2)Cn3ncnc3)Cl",null,"Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1","Clc1cc(c(cc1)C2(OCCO2)Cn3ncnc3)Cl"]
[4986,"60207-90-1","CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1","CCCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl",null,"CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1","CCCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl",null,"CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1","CCCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl",null,"CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1","CCCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl"]
[4987,"60207-93-4",{"$nulls":3},"CCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1","CCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl",{"$nulls":4},"CCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1","CCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl"]
[4988,"60233-24-1","Clc1cccc(-c2c(Cl)cc(Cl)cc2Cl)c1","Clc1cc(ccc1)-c2c(cc(cc2Cl)Cl)Cl",null,"Clc1cccc(-c2c(Cl)cc(Cl)cc2Cl)c1","Clc1cc(ccc1)-c2c(cc(cc2Cl)Cl)Cl",null,"Clc1cccc(-c2c(Cl)cc(Cl)cc2Cl)c1","Clc1cc(ccc1)-c2c(cc(cc2Cl)Cl)Cl",null,"Clc1cccc(-c2c(Cl)cc(Cl)cc2Cl)c1","Clc1cc(ccc1)-c2c(cc(cc2Cl)Cl)Cl"]
[4989,"60233-25-2","Clc1cc(Cl)c(-c2cccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2cccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl"]
[4990,"60238-56-4",{"$nulls":3},"CCOP(=S)(OCC)Oc1cc(Cl)c(Cl)c(SC)c1","CCOP(=S)(OCC)Oc1cc(c(c(c1)Cl)Cl)SC"]
[4991,"60295-67-2","O=C(O)C1CCC(C(=O)O)[Se][Se]1","O=C(O)C1[Se][Se]C(CC1)C(=O)O"]
[4992,"60340-41-2","CCSC(C(=O)O)c1ccccc1","CCSC(C(=O)O)c1ccccc1",{"$nulls":4},"CCSC(C(=O)O)c1ccccc1","CCSC(C(=O)O)c1ccccc1",null,"CCSC(C(=O)O)c1ccccc1","CCSC(C(=O)O)c1ccccc1"]
[4993,"60415-20-5","CCCC(=O)CC(=O)C(=O)O","CCCC(=O)CC(=O)C(=O)O"]
[4994,"60415-21-6","CCCCC(=O)CC(=O)C(=O)O","CCCCC(=O)CC(=O)C(=O)O"]
[4995,"60568-05-0","CON(C(=O)c1cc(C)oc1C)C1CCCCC1","CON(C(=O)c1c(oc(c1)C)C)C2CCCCC2",null,"CON(C(=O)c1cc(C)oc1C)C1CCCCC1","CON(C(=O)c1c(oc(c1)C)C)C2CCCCC2",null,"CON(C(=O)c1cc(C)oc1C)C1CCCCC1","CON(C(=O)c1c(oc(c1)C)C)C2CCCCC2",null,"CON(C(=O)c1cc(C)oc1C)C1CCCCC1","CON(C(=O)c1c(oc(c1)C)C)C2CCCCC2"]
[4996,"60574-00-7"]
[4997,"60634-74-4","O=S(=O)(O)c1c[nH]cn1","O=S(=O)(O)c1nc[nH]c1",{"$nulls":7},"O=S(=O)(O)c1cnc[nH]1","O=S(=O)(O)c1[nH]cnc1"]
[4998,"60653-87-4","CCCCOCCOCCO","CCCCOCCOCCO","NC(O)=O(1)",{"$nulls":3},"CCCCOCCOCCOC(=N)O","CCCCOCCOCCOC(=N)O",null,"CCCCOCCOCCOC(=N)O","CCCCOCCOCCOC(=N)O"]
[4999,"60662-64-8",{"$nulls":3},"CC(Br)C(=O)NCC(=O)NCC(=O)O","CC(Br)C(=O)NCC(=O)NCC(=O)O"]
[5000,"60784-70-5",{"$nulls":3},"CCCCCCCC1(CC)C(=O)[N-]C(=O)NC1=O","CCCCCCCC1(C(NC(NC1=O)=O)=O)CC","[Na+](1)",{"$nulls":3},"CCCCCCCC1(CC)C(=O)NC(=O)NC1=O","CCCCCCCC1(C(NC(NC1=O)=O)=O)CC"]
[5001,"60940-94-5","CC1CCC(C(N)=O)CC1","CC1CCC(CC1)C(N)=O"]
[5002,"61213-25-0","O=C1C(Cl)C(CCl)CN1c1cccc(C(F)(F)F)c1","O=C1N(CC(C1Cl)CCl)c2cc(ccc2)C(F)(F)F",null,"O=C1C(Cl)C(CCl)CN1c1cccc(C(F)(F)F)c1","O=C1N(CC(C1Cl)CCl)c2cc(ccc2)C(F)(F)F",null,"O=C1C(Cl)C(CCl)CN1c1cccc(C(F)(F)F)c1","O=C1N(CC(C1Cl)CCl)c2cc(ccc2)C(F)(F)F",null,"O=C1C(Cl)C(CCl)CN1c1cccc(C(F)(F)F)c1","O=C1N(CC(C1Cl)CCl)c2cc(ccc2)C(F)(F)F"]
[5003,"61296-28-4","N#CNC(N)=S","N#CNC(N)=S",{"$nulls":4},"N#CNC(=N)S","N#CNC(=N)S",null,"N#CNC(=N)S","N#CNC(=N)S"]
[5004,"61328-44-7",{"$nulls":3},"Clc1ccc(Oc2ccccc2Cl)cc1Cl","Clc1c(cc(cc1)Oc2c(cccc2)Cl)Cl",null,"Clc1ccc(Oc2ccccc2Cl)cc1Cl","Clc1c(cc(cc1)Oc2c(cccc2)Cl)Cl",null,"Clc1ccc(Oc2ccccc2Cl)cc1Cl","Clc1c(cc(cc1)Oc2c(cccc2)Cl)Cl"]
[5005,"61402-72-0","CCC(=O)OC(C)C(=O)OC","CCC(=O)OC(C)C(=O)OC",{"$nulls":4},"CCC(=O)OC(C)C(=O)OC","CCC(=O)OC(C)C(=O)OC",null,"CCC(=O)OC(C)C(=O)OC","CCC(=O)OC(C)C(=O)OC"]
[5006,"61432-55-1","CC(C)(SC(=O)N1CCCCC1)c1ccccc1","CC(C)(SC(=O)N1CCCCC1)c2ccccc2",null,"CC(C)(SC(=O)N1CCCCC1)c1ccccc1","CC(C)(SC(=O)N1CCCCC1)c2ccccc2",null,"CC(C)(SC(=O)N1CCCCC1)c1ccccc1","CC(C)(SC(=O)N1CCCCC1)c2ccccc2",null,"CC(C)(SC(=O)N1CCCCC1)c1ccccc1","CC(C)(SC(=O)N1CCCCC1)c2ccccc2"]
[5007,"61491-92-7","CC(C)Cc1ncc[nH]1","CC(C)Cc1[nH]ccn1",null,"CC(C)Cc1ncc[nH]1","CC(C)Cc1[nH]ccn1",null,"CC(C)Cc1ncc[nH]1","CC(C)Cc1[nH]ccn1",null,"CC(C)Cc1ncc[nH]1","CC(C)Cc1[nH]ccn1"]
[5008,"61676-87-7","Cc1ccc(N=c2sccn2C)c(C)c1","Cc1cc(c(cc1)N=c2n(ccs2)C)C",null,"Cc1ccc(N=c2sccn2C)c(C)c1","Cc1cc(c(cc1)N=c2n(ccs2)C)C",null,"Cc1ccc(N=c2sccn2C)c(C)c1","Cc1cc(c(cc1)N=c2n(ccs2)C)C",null,"Cc1ccc(N=c2sccn2C)c(C)c1","Cc1cc(c(cc1)N=c2n(ccs2)C)C"]
[5009,"61713-37-9","CN=C(SC)N(C)C","CN=C(SC)N(C)C",{"$nulls":7},"CN=C(SC)N(C)C","CN=C(SC)N(C)C"]
[5010,"61798-70-7","Clc1cccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",null,"Clc1cccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",null,"Clc1cccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",null,"Clc1cccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl"]
[5011,"61969-53-7","O=C(NCCO)c1cc(O)ccc1O","O=C(NCCO)c1c(ccc(c1)O)O",null,"O=C(NCCO)c1cc(O)ccc1O","O=C(NCCO)c1c(ccc(c1)O)O",null,"O=C(NCCO)c1cc(O)ccc1O","O=C(NCCO)c1c(ccc(c1)O)O",null,"O=C(NCCO)c1cc(O)ccc1O","O=C(NCCO)c1c(ccc(c1)O)O"]
[5012,"61986-93-4","Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(S(=O)(=O)O)cc12","Nc1c2c(c(cc1S(=O)(=O)O)S(=O)(=O)O)ccc(S(=O)(=O)O)c2",{"$nulls":4},"Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(S(=O)(=O)O)cc12","Nc1c2c(c(cc1S(=O)(=O)O)S(=O)(=O)O)ccc(S(=O)(=O)O)c2",null,"Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(S(=O)(=O)O)cc12","Nc1c2c(c(cc1S(=O)(=O)O)S(=O)(=O)O)ccc(S(=O)(=O)O)c2"]
[5013,"62046-37-1",{"$nulls":3},"CNC(=O)OCc1cccc(Cl)c1Cl","CNC(=O)OCc1c(c(ccc1)Cl)Cl"]
[5014,"62396-98-9","O=C(O)C(=O)c1ccc2c(c1)OCO2","O=C(O)C(=O)c1cc2c(cc1)OCO2"]
[5015,"62610-77-9","COC(=O)C(C)=COP(=S)(OC)OC","COC(=O)C(C)=COP(=S)(OC)OC",null,"COC(=O)C(C)=COP(=S)(OC)OC","COC(=O)C(C)=COP(=S)(OC)OC",null,"COC(=O)C(C)=COP(=S)(OC)OC","COC(=O)C(C)=COP(=S)(OC)OC",null,"COC(=O)C(C)=COP(=S)(OC)OC","COC(=O)C(C)=COP(=S)(OC)OC"]
[5016,"62641-29-6",{"$nulls":3},"CCCCN(C(N)=O)c1ccccc1","CCCCN(C(N)=O)c1ccccc1",null,"CCCCN(C(=N)O)c1ccccc1","CCCCN(C(=N)O)c1ccccc1",null,"CCCCN(C(=N)O)c1ccccc1","CCCCN(C(=N)O)c1ccccc1"]
[5017,"62796-65-0","Clc1cc(Cl)c(-c2ccccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cccc2)Cl)Cl",null,"Clc1cc(Cl)c(-c2ccccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cccc2)Cl)Cl",null,"Clc1cc(Cl)c(-c2ccccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cccc2)Cl)Cl",null,"Clc1cc(Cl)c(-c2ccccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cccc2)Cl)Cl"]
[5018,"62850-32-2","CN(C)C(=O)SCCCCOc1ccccc1","CN(C)C(=O)SCCCCOc1ccccc1",null,"CN(C)C(=O)SCCCCOc1ccccc1","CN(C)C(=O)SCCCCOc1ccccc1",null,"CN(C)C(=O)SCCCCOc1ccccc1","CN(C)C(=O)SCCCCOc1ccccc1",null,"CN(C)C(=O)SCCCCOc1ccccc1","CN(C)C(=O)SCCCCOc1ccccc1"]
[5019,"62865-36-5","Cc1c(Cl)cc(-c2ccc(=O)[nH]n2)cc1Cl","Cc1c(cc(cc1Cl)-c2n[nH]c(cc2)=O)Cl",null,"Cc1c(Cl)cc(-c2ccc(=O)[nH]n2)cc1Cl","Cc1c(cc(cc1Cl)-c2n[nH]c(cc2)=O)Cl",null,"Cc1c(Cl)cc(-c2ccc(O)nn2)cc1Cl","Cc1c(cc(cc1Cl)-c2nnc(cc2)O)Cl",null,"Cc1c(Cl)cc(-c2ccc(O)nn2)cc1Cl","Cc1c(cc(cc1Cl)-c2nnc(cc2)O)Cl"]
[5020,"62924-70-3","CCN(Cc1c(F)cccc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCN(Cc1c(cccc1F)Cl)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",null,"CCN(Cc1c(F)cccc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCN(Cc1c(cccc1F)Cl)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",null,"CCN(Cc1c(F)cccc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCN(Cc1c(cccc1F)Cl)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",null,"CCN(Cc1c(F)cccc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCN(Cc1c(cccc1F)Cl)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]"]
[5021,"63020-38-2",{"$nulls":6},"Cc1c2c(cc3c1ccc1ccccc13)CCCC2","Cc1c2c(cc3c1CCCC3)c4c(cc2)cccc4",null,"Cc1c2c(cc3c1ccc1ccccc13)CCCC2","Cc1c2c(cc3c1CCCC3)c4c(cc2)cccc4"]
[5022,"63278-33-1",{"$nulls":3},"N#CCON=C(C#N)c1ccccc1","N#CCON=C(C#N)c1ccccc1",{"$nulls":4},"N#CCON=C(C#N)c1ccccc1","N#CCON=C(C#N)c1ccccc1"]
[5023,"63284-71-9",{"$nulls":3},"OC(c1ccc(F)cc1)(c1cncnc1)c1ccccc1Cl","OC(c1ccc(cc1)F)(c2cncnc2)c3c(cccc3)Cl",{"$nulls":4},"OC(c1ccc(F)cc1)(c1cncnc1)c1ccccc1Cl","OC(c1ccc(cc1)F)(c2cncnc2)c3c(cccc3)Cl"]
[5024,"63646-51-5",{"$nulls":3},"Clc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1","Clc1ccc(cc1)Oc2cc(c(cc2)Cl)Cl",null,"Clc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1","Clc1ccc(cc1)Oc2cc(c(cc2)Cl)Cl",null,"Clc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1","Clc1ccc(cc1)Oc2cc(c(cc2)Cl)Cl"]
[5025,"63718-48-9","CCCC(Br)(CCC)C(N)=O","CCCC(Br)(CCC)C(N)=O",{"$nulls":4},"CCCC(Br)(CCC)C(=N)O","CCCC(Br)(CCC)C(=N)O",null,"CCCC(Br)(CCC)C(=N)O","CCCC(Br)(CCC)C(=N)O"]
[5026,"63729-98-6","COC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",null,"COC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",null,"COC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",null,"COC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl"]
[5027,"63782-90-1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",null,"CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",null,"CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",null,"CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl"]
[5028,"63837-33-2","CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1","CCC1OC(CO1)COc2ccc(cc2)Oc3ccccc3",null,"CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1","CCC1OC(CO1)COc2ccc(cc2)Oc3ccccc3",null,"CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1","CCC1OC(CO1)COc2ccc(cc2)Oc3ccccc3",null,"CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1","CCC1OC(CO1)COc2ccc(cc2)Oc3ccccc3"]
[5029,"63906-63-8",{"$nulls":3},"CCCn1c(=O)c2c(ncn2C)n(C)c1=O","CCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",{"$nulls":4},"CCCn1c(=O)c2c(ncn2C)n(C)c1=O","CCCn1c(n(c2c(c1=O)n(cn2)C)C)=O"]
[5030,"63915-60-6","ClCCN(Cl)CCCl","ClCCN(Cl)CCCl",null,"ClCCN(Cl)CCCl","ClCCN(Cl)CCCl",null,"ClCCN(Cl)CCCl","ClCCN(Cl)CCCl",null,"ClCCN(Cl)CCCl","ClCCN(Cl)CCCl"]
[5031,"63935-38-6","CCOc1ccc(C2(C(=O)OC(C#N)c3cccc(Oc4ccccc4)c3)CC2(Cl)Cl)cc1","CCOc1ccc(cc1)C2(C(C2)(Cl)Cl)C(=O)OC(C#N)c3cc(ccc3)Oc4ccccc4",null,"CCOc1ccc(C2(C(=O)OC(C#N)c3cccc(Oc4ccccc4)c3)CC2(Cl)Cl)cc1","CCOc1ccc(cc1)C2(C(C2)(Cl)Cl)C(=O)OC(C#N)c3cc(ccc3)Oc4ccccc4",null,"CCOc1ccc(C2(C(=O)OC(C#N)c3cccc(Oc4ccccc4)c3)CC2(Cl)Cl)cc1","CCOc1ccc(cc1)C2(C(C2)(Cl)Cl)C(=O)OC(C#N)c3cc(ccc3)Oc4ccccc4",null,"CCOc1ccc(C2(C(=O)OC(C#N)c3cccc(Oc4ccccc4)c3)CC2(Cl)Cl)cc1","CCOc1ccc(cc1)C2(C(C2)(Cl)Cl)C(=O)OC(C#N)c3cc(ccc3)Oc4ccccc4"]
[5032,"63981-46-4",{"$nulls":3},"CCOC(=O)N1CCN(CN2CCN(C(=O)OCC)CC2)CC1","CCOC(=O)N1CCN(CC1)CN2CCN(CC2)C(=O)OCC"]
[5033,"64002-57-9",{"$nulls":9},"CC(C)C1OC(=O)c2ccccc21","CC(C)C1c2c(C(O1)=O)cccc2"]
[5034,"64098-82-4",{"$nulls":3},"CCCCNC(=O)n1cc(F)c(=O)[nH]c1=O","CCCCNC(=O)n1c([nH]c(c(c1)F)=O)=O",{"$nulls":4},"CCCCNC(=O)n1cc(F)c(=O)[nH]c1=O","CCCCNC(=O)n1c([nH]c(c(c1)F)=O)=O"]
[5035,"64249-01-0","COP(=S)(OC)SCC(=O)N(c1ccc(Cl)cc1)C(C)C","COP(=S)(OC)SCC(=O)N(c1ccc(cc1)Cl)C(C)C",null,"COP(=S)(OC)SCC(=O)N(c1ccc(Cl)cc1)C(C)C","COP(=S)(OC)SCC(=O)N(c1ccc(cc1)Cl)C(C)C",null,"COP(=S)(OC)SCC(=O)N(c1ccc(Cl)cc1)C(C)C","COP(=S)(OC)SCC(=O)N(c1ccc(cc1)Cl)C(C)C",null,"COP(=S)(OC)SCC(=O)N(c1ccc(Cl)cc1)C(C)C","COP(=S)(OC)SCC(=O)N(c1ccc(cc1)Cl)C(C)C"]
[5036,"64257-84-7","CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C",null,"CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C",null,"CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C",null,"CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C"]
[5037,"64480-66-6","CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",null,"CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C"]
[5038,"64529-56-2","CCSc1nnc(C(C)(C)C)c(=O)n1N","CCSc1n(c(c(nn1)C(C)(C)C)=O)N",null,"CCSc1nnc(C(C)(C)C)c(=O)n1N","CCSc1n(c(c(nn1)C(C)(C)C)=O)N",null,"CCSc1nnc(C(C)(C)C)c(=O)n1N","CCSc1n(c(c(nn1)C(C)(C)C)=O)N",null,"CCSc1nnc(C(C)(C)C)c(=O)n1N","CCSc1n(c(c(nn1)C(C)(C)C)=O)N"]
[5039,"64628-44-0","O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1","O=C(NC(=O)c1c(cccc1)Cl)Nc2ccc(cc2)OC(F)(F)F",null,"O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1","O=C(NC(=O)c1c(cccc1)Cl)Nc2ccc(cc2)OC(F)(F)F",null,"O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1","O=C(NC(=O)c1c(cccc1)Cl)Nc2ccc(cc2)OC(F)(F)F",null,"O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1","O=C(NC(=O)c1c(cccc1)Cl)Nc2ccc(cc2)OC(F)(F)F"]
[5040,"64635-92-3",{"$nulls":3},"CCCCC1(C)C(C#N)C(=O)NC(=O)C1C#N","CCCCC1(C(C(NC(C1C#N)=O)=O)C#N)C"]
[5041,"64649-43-0","NC(=O)COC(=O)c1ccccc1","NC(=O)COC(=O)c1ccccc1",{"$nulls":4},"NC(=O)COC(=O)c1ccccc1","NC(=O)COC(=O)c1ccccc1",null,"NC(=O)COC(=O)c1ccccc1","NC(=O)COC(=O)c1ccccc1"]
[5042,"64649-57-6","CCNC(=O)COC(=O)c1ccccc1","CCNC(=O)COC(=O)c1ccccc1",{"$nulls":4},"CCNC(=O)COC(=O)c1ccccc1","CCNC(=O)COC(=O)c1ccccc1",null,"CCNC(=O)COC(=O)c1ccccc1","CCNC(=O)COC(=O)c1ccccc1"]
[5043,"64649-63-4","CCN(CC)C(=O)COC(=O)c1ccccc1","CCN(CC)C(=O)COC(=O)c1ccccc1",{"$nulls":7},"CCN(CC)C(=O)COC(=O)c1ccccc1","CCN(CC)C(=O)COC(=O)c1ccccc1"]
[5044,"64682-95-7",{"$nulls":9},"Cc1noc(C)c1NS(=O)(=O)c1ccc(N)cc1","Cc1c(c(on1)C)NS(=O)(=O)c2ccc(cc2)N"]
[5045,"64991-30-6","CCNC(C)C(=O)O","CCNC(C)C(=O)O",{"$nulls":7},"CCNC(C)C(=O)O","CCNC(C)C(=O)O"]
[5046,"65029-15-4","O=C(O)n1cnc2c1CNCN2","O=C(O)n1c2c(nc1)NCNC2"]
[5047,"65075-00-5",{"$nulls":6},"Clc1ccc(Oc2cc(Cl)ccc2Cl)cc1","Clc1ccc(cc1)Oc2c(ccc(c2)Cl)Cl",null,"Clc1ccc(Oc2cc(Cl)ccc2Cl)cc1","Clc1ccc(cc1)Oc2c(ccc(c2)Cl)Cl"]
[5048,"65267-24-5"]
[5049,"65267-25-6"]
[5050,"65267-26-7"]
[5051,"65267-27-8"]
[5052,"65413-42-5",{"$nulls":3},"CN1C(=O)C(N)C(=S)N(C)C1=O","CN1C(N(C(C(C1=O)N)=S)C)=O",{"$nulls":4},"CN1C(=O)C(N)C(=S)N(C)C1=O","CN1C(N(C(C(C1=O)N)=S)C)=O"]
[5053,"65510-45-4","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl"]
[5054,"65882-61-3","S=c1nc[nH]c2nccnc12","S=c1c2c([nH]cn1)nccn2",{"$nulls":4},"S=c1nc[nH]c2nccnc12","S=c1c2c([nH]cn1)nccn2",null,"S=c1nc[nH]c2nccnc12","S=c1c2c([nH]cn1)nccn2"]
[5055,"65907-30-4","CCCCOC(=O)N(C)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2","CCCCOC(=O)N(C)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C",null,"CCCCOC(=O)N(C)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2","CCCCOC(=O)N(C)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C",null,"CCCCOC(=O)N(C)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2","CCCCOC(=O)N(C)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C",null,"CCCCOC(=O)N(C)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2","CCCCOC(=O)N(C)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C"]
[5056,"65934-94-3",{"$nulls":3},"CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+](=O)[O-]","CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+](=O)[O-]"]
[5057,"65934-95-4","CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+](=O)[O-]","CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+](=O)[O-]",null,"CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+](=O)[O-]","CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+](=O)[O-]"]
[5058,"66063-05-6","O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1","O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3",null,"O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1","O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3",null,"O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1","O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3",null,"O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1","O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3"]
[5059,"66230-04-4","CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl",null,"CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl",null,"CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl",null,"CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl"]
[5060,"66246-88-6","CCCC(Cn1cncn1)c1ccc(Cl)cc1Cl","CCCC(Cn1ncnc1)c2c(cc(cc2)Cl)Cl",null,"CCCC(Cn1cncn1)c1ccc(Cl)cc1Cl","CCCC(Cn1ncnc1)c2c(cc(cc2)Cl)Cl",null,"CCCC(Cn1cncn1)c1ccc(Cl)cc1Cl","CCCC(Cn1ncnc1)c2c(cc(cc2)Cl)Cl",null,"CCCC(Cn1cncn1)c1ccc(Cl)cc1Cl","CCCC(Cn1ncnc1)c2c(cc(cc2)Cl)Cl"]
[5061,"66261-38-9",{"$nulls":9},"C=C(CC(=O)O)C(=O)OCC","C=C(CC(=O)O)C(=O)OCC"]
[5062,"66318-15-8","CCOC(=O)CNC(=O)c1ccco1","CCOC(=O)CNC(=O)c1occc1",{"$nulls":4},"CCOC(=O)CNC(=O)c1ccco1","CCOC(=O)CNC(=O)c1occc1",null,"CCOC(=O)CNC(=O)c1ccco1","CCOC(=O)CNC(=O)c1occc1"]
[5063,"66332-96-5","CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1","CC(C)Oc1cc(ccc1)NC(=O)c2c(cccc2)C(F)(F)F",null,"CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1","CC(C)Oc1cc(ccc1)NC(=O)c2c(cccc2)C(F)(F)F",null,"CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1","CC(C)Oc1cc(ccc1)NC(=O)c2c(cccc2)C(F)(F)F",null,"CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1","CC(C)Oc1cc(ccc1)NC(=O)c2c(cccc2)C(F)(F)F"]
[5064,"66371-02-6"]
[5065,"66398-52-5","NC(=O)CC(O)C(=O)O","NC(=O)CC(O)C(=O)O",null,"NC(=O)CC(O)C(=O)O","NC(=O)CC(O)C(=O)O"]
[5066,"66441-23-4","CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",null,"CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",null,"CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",null,"CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3"]
[5067,"66794-60-3",{"$nulls":3},"Clc1cccc(Oc2ccc(Cl)c(Cl)c2)c1","Clc1cc(ccc1)Oc2cc(c(cc2)Cl)Cl",null,"Clc1cccc(Oc2ccc(Cl)c(Cl)c2)c1","Clc1cc(ccc1)Oc2cc(c(cc2)Cl)Cl",null,"Clc1cccc(Oc2ccc(Cl)c(Cl)c2)c1","Clc1cc(ccc1)Oc2cc(c(cc2)Cl)Cl"]
[5068,"66841-25-6","CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1C(Br)C(Br)(Br)Br","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C(Br)C(Br)(Br)Br)C",null,"CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1C(Br)C(Br)(Br)Br","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C(Br)C(Br)(Br)Br)C",null,"CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1C(Br)C(Br)(Br)Br","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C(Br)C(Br)(Br)Br)C",null,"CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1C(Br)C(Br)(Br)Br","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C(Br)C(Br)(Br)Br)C"]
[5069,"66947-87-3","CCCC(Br)C(=O)NC(N)=O","CCCC(Br)C(=O)NC(N)=O",{"$nulls":4},"CCCC(Br)C(O)=NC(=N)O","CCCC(Br)C(O)=NC(=N)O",null,"CCCC(Br)C(O)=NC(=N)O","CCCC(Br)C(O)=NC(=N)O"]
[5070,"66950-37-6","CN(C)C1CCC=CCCC1","CN(C)C1CCCC=CCC1",{"$nulls":4},"CN(C)C1CCC=CCCC1","CN(C)C1CCCC=CCC1",null,"CN(C)C1CCC=CCCC1","CN(C)C1CCCC=CCC1"]
[5071,"66952-49-6","CNC(=O)Sc1ccc(OS(C)(=O)=O)cc1","CNC(=O)Sc1ccc(cc1)OS(C)(=O)=O",null,"CNC(=O)Sc1ccc(OS(C)(=O)=O)cc1","CNC(=O)Sc1ccc(cc1)OS(C)(=O)=O",null,"CN=C(O)Sc1ccc(OS(C)(=O)=O)cc1","CN=C(O)Sc1ccc(cc1)OS(C)(=O)=O",null,"CN=C(O)Sc1ccc(OS(C)(=O)=O)cc1","CN=C(O)Sc1ccc(cc1)OS(C)(=O)=O"]
[5072,"66984-18-7","CC1(C#N)CCCC1=O","CC1(C(CCC1)=O)C#N",{"$nulls":4},"CC1(C#N)CCCC1=O","CC1(C(CCC1)=O)C#N",null,"CC1(C#N)CCCC1=O","CC1(C(CCC1)=O)C#N"]
[5073,"67028-18-6","Clc1ccc2c(c1)Oc1cc(Cl)c(Cl)c(Cl)c1O2","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)c(Cl)c3Cl",null,"Clc1ccc2c(c1)Oc1cc(Cl)c(Cl)c(Cl)c1O2","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)c(Cl)c3Cl",null,"Clc1ccc2c(c1)Oc1cc(Cl)c(Cl)c(Cl)c1O2","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)c(Cl)c3Cl",null,"Clc1ccc2c(c1)Oc1cc(Cl)c(Cl)c(Cl)c1O2","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)c(Cl)c3Cl"]
[5074,"67051-30-3",{"$nulls":3},"CC(C)CCC1(C)C(=O)NC(=O)NC1=O","CC(C)CCC1(C(NC(NC1=O)=O)=O)C",{"$nulls":4},"CC(C)CCC1(C)C(=O)NC(=O)NC1=O","CC(C)CCC1(C(NC(NC1=O)=O)=O)C"]
[5075,"67129-08-2","Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl","Cc1c(c(ccc1)C)N(Cn2nccc2)C(=O)CCl",null,"Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl","Cc1c(c(ccc1)C)N(Cn2nccc2)C(=O)CCl",null,"Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl","Cc1c(c(ccc1)C)N(Cn2nccc2)C(=O)CCl",null,"Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl","Cc1c(c(ccc1)C)N(Cn2nccc2)C(=O)CCl"]
[5076,"67216-85-7","CCC(CC)(CC)NC(N)=O","CCC(CC)(CC)NC(N)=O",{"$nulls":4},"CCC(CC)(CC)NC(=N)O","CCC(CC)(CC)NC(=N)O",null,"CCC(CC)(CC)NC(=N)O","CCC(CC)(CC)NC(=N)O"]
[5077,"67242-91-5"]
[5078,"67299-16-5"]
[5079,"67306-03-0","CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)OC(C)C1","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C",null,"CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)OC(C)C1","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C",null,"CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)OC(C)C1","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C",null,"CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)OC(C)C1","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C"]
[5080,"67320-39-2","Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(=O)O","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)NCC(=O)O"]
[5081,"67320-40-5","Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C(=O)O","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)NC(C)C(=O)O"]
[5082,"67375-30-8",{"$nulls":3},"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",null,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",null,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C"]
[5083,"67485-29-4","CC1(C)CN=C(NN=C(C=Cc2ccc(C(F)(F)F)cc2)C=Cc2ccc(C(F)(F)F)cc2)NC1","CC1(CNC(=NC1)NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F)C",null,"CC1(C)CN=C(NN=C(C=Cc2ccc(C(F)(F)F)cc2)C=Cc2ccc(C(F)(F)F)cc2)NC1","CC1(CNC(=NC1)NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F)C",null,"CC1(C)CNC(=NN=C(C=Cc2ccc(C(F)(F)F)cc2)C=Cc2ccc(C(F)(F)F)cc2)NC1","CC1(CNC(NC1)=NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F)C",null,"CC1(C)CNC(=NN=C(C=Cc2ccc(C(F)(F)F)cc2)C=Cc2ccc(C(F)(F)F)cc2)NC1","CC1(CNC(NC1)=NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F)C"]
[5084,"67562-39-4","Clc1cc2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c32)c(Cl)c1Cl","Clc1c(c(c2c(c1)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",null,"Clc1cc2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c32)c(Cl)c1Cl","Clc1c(c(c2c(c1)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",null,"Clc1cc2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c32)c(Cl)c1Cl","Clc1c(c(c2c(c1)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",null,"Clc1cc2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c32)c(Cl)c1Cl","Clc1c(c(c2c(c1)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl"]
[5085,"67564-91-4","CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)OC(C)C1","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C",null,"CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)OC(C)C1","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C",null,"CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)OC(C)C1","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C",null,"CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)OC(C)C1","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C"]
[5086,"67733-57-7","Brc1cc2oc3cc(Br)c(Br)cc3c2cc1Br","Brc1c(cc2c(c1)oc3c2cc(c(c3)Br)Br)Br",null,"Brc1cc2oc3cc(Br)c(Br)cc3c2cc1Br","Brc1c(cc2c(c1)oc3c2cc(c(c3)Br)Br)Br",null,"Brc1cc2oc3cc(Br)c(Br)cc3c2cc1Br","Brc1c(cc2c(c1)oc3c2cc(c(c3)Br)Br)Br",null,"Brc1cc2oc3cc(Br)c(Br)cc3c2cc1Br","Brc1c(cc2c(c1)oc3c2cc(c(c3)Br)Br)Br"]
[5087,"67747-09-5","CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1","CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2cncc2",null,"CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1","CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2cncc2",null,"CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1","CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2cncc2",null,"CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1","CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2cncc2"]
[5088,"67774-74-7","CCCCCCCCCCCc1ccccc1","CCCCCCCCCCCc1ccccc1",null,"CCCCCCCCCCCc1ccccc1","CCCCCCCCCCCc1ccccc1"]
[5089,"67792-85-2",{"$nulls":3},"CCOC(=O)CN(N=O)C(N)=O","CCOC(=O)CN(N=O)C(N)=O",{"$nulls":4},"CCOC(=O)CN(N=O)C(N)=O","CCOC(=O)CN(N=O)C(N)=O"]
[5090,"67856-67-1",{"$nulls":3},"CCOC(CN(CC(OCC)OCC)N=O)OCC","CCOC(CN(CC(OCC)OCC)N=O)OCC",{"$nulls":4},"CCOC(CN(CC(OCC)OCC)N=O)OCC","CCOC(CN(CC(OCC)OCC)N=O)OCC"]
[5091,"67856-69-3","CCOC(CNCC(OCC)OCC)OCC","CCOC(CNCC(OCC)OCC)OCC",null,"CCOC(CNCC(OCC)OCC)OCC","CCOC(CNCC(OCC)OCC)OCC",null,"CCOC(CNCC(OCC)OCC)OCC","CCOC(CNCC(OCC)OCC)OCC",null,"CCOC(CNCC(OCC)OCC)OCC","CCOC(CNCC(OCC)OCC)OCC"]
[5092,"67888-96-4","Brc1ccc(Br)c(-c2cc(Br)c(Br)cc2Br)c1","Brc1cc(c(cc1)Br)-c2c(cc(c(c2)Br)Br)Br",null,"Brc1ccc(Br)c(-c2cc(Br)c(Br)cc2Br)c1","Brc1cc(c(cc1)Br)-c2c(cc(c(c2)Br)Br)Br",null,"Brc1ccc(Br)c(-c2cc(Br)c(Br)cc2Br)c1","Brc1cc(c(cc1)Br)-c2c(cc(c(c2)Br)Br)Br",null,"Brc1ccc(Br)c(-c2cc(Br)c(Br)cc2Br)c1","Brc1cc(c(cc1)Br)-c2c(cc(c(c2)Br)Br)Br"]
[5093,"67928-93-2",{"$nulls":3},"C=CC(O)CCC","C=CC(O)CCC",{"$nulls":4},"C=CC(O)CCC","C=CC(O)CCC"]
[5094,"67967-11-7","O=c1[nH]ccc2cccnc12","O=c1c2c(cc[nH]1)cccn2",{"$nulls":4},"O=c1[nH]ccc2cccnc12","O=c1c2c(cc[nH]1)cccn2",null,"O=c1[nH]ccc2cccnc12","O=c1c2c(cc[nH]1)cccn2"]
[5095,"68049-83-2","C#CCOc1cc(-n2nc3n(c2=O)CCCC3)c(Cl)cc1Cl","C#CCOc1c(cc(c(c1)-n2c(n3c(n2)CCCC3)=O)Cl)Cl",null,"C#CCOc1cc(-n2nc3n(c2=O)CCCC3)c(Cl)cc1Cl","C#CCOc1c(cc(c(c1)-n2c(n3c(n2)CCCC3)=O)Cl)Cl",null,"C#CCOc1cc(-n2nc3n(c2=O)CCCC3)c(Cl)cc1Cl","C#CCOc1c(cc(c(c1)-n2c(n3c(n2)CCCC3)=O)Cl)Cl",null,"C#CCOc1cc(-n2nc3n(c2=O)CCCC3)c(Cl)cc1Cl","C#CCOc1c(cc(c(c1)-n2c(n3c(n2)CCCC3)=O)Cl)Cl"]
[5096,"68085-85-8","CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)C(F)(F)F)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",null,"CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)C(F)(F)F)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},"CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)C(F)(F)F)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C"]
[5097,"68133-69-7",{"$nulls":3},"CC(=O)OCCN(CCC#N)c1ccc(N=Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1","CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2sc3c(n2)ccc([N+](=O)[O-])c3",null,"CC(=O)OCCN(CCC#N)c1ccc(N=Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1","CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2sc3c(n2)ccc([N+](=O)[O-])c3",null,"CC(=O)OCCN(CCC#N)c1ccc(N=Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1","CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2sc3c(n2)ccc([N+](=O)[O-])c3"]
[5098,"68157-60-8","O=C(Nc1ccccc1)Nc1ccnc(Cl)c1","O=C(Nc1ccccc1)Nc2cc(ncc2)Cl",null,"O=C(Nc1ccccc1)Nc1ccnc(Cl)c1","O=C(Nc1ccccc1)Nc2cc(ncc2)Cl",null,"O=C(Nc1ccccc1)Nc1ccnc(Cl)c1","O=C(Nc1ccccc1)Nc2cc(ncc2)Cl",null,"O=C(Nc1ccccc1)Nc1ccnc(Cl)c1","O=C(Nc1ccccc1)Nc2cc(ncc2)Cl"]
[5099,"68194-04-7","Clc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cccc2Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cccc2Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cccc2Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cccc2Cl)Cl)Cl"]
[5100,"68194-05-8","Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl"]
[5101,"68194-07-0","Clc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(cc(c2)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(cc(c2)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(cc(c2)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(cc(c2)Cl)Cl)Cl)Cl"]
[5102,"68194-10-5","Clc1cc(Cl)cc(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl",null,"Clc1cc(Cl)cc(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl",null,"Clc1cc(Cl)cc(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl",null,"Clc1cc(Cl)cc(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl"]
[5103,"68194-11-6","Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl"]
[5104,"68194-12-7","Clc1cc(Cl)cc(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",null,"Clc1cc(Cl)cc(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",null,"Clc1cc(Cl)cc(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",null,"Clc1cc(Cl)cc(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl"]
[5105,"68194-14-9","Clc1ccc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl"]
[5106,"68194-15-0","Clc1cc(-c2c(Cl)cccc2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(cccc2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)cccc2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(cccc2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)cccc2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(cccc2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)cccc2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(cccc2Cl)Cl)Cl)Cl)Cl"]
[5107,"68194-17-2","Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl"]
[5108,"68228-18-2",{"$nulls":3},"CCOC(=O)CNc1nc(Cl)nc(NC(C)C)n1","CCOC(=O)CNc1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},"CCOC(=O)CNc1nc(Cl)nc(NC(C)C)n1","CCOC(=O)CNc1nc(nc(n1)Cl)NC(C)C"]
[5109,"68339-75-3","COc1ccc(NC(=N)Nc2ccc(OC)cc2)cc1","COc1ccc(cc1)NC(=N)Nc2ccc(cc2)OC",{"$nulls":4},"COc1ccc(NC(=N)Nc2ccc(OC)cc2)cc1","COc1ccc(cc1)NC(=N)Nc2ccc(cc2)OC",null,"COc1ccc(NC(=N)Nc2ccc(OC)cc2)cc1","COc1ccc(cc1)NC(=N)Nc2ccc(cc2)OC"]
[5110,"68359-37-5","CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(c(cc2)F)Oc3ccccc3)C",null,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(c(cc2)F)Oc3ccccc3)C",null,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(c(cc2)F)Oc3ccccc3)C",null,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(c(cc2)F)Oc3ccccc3)C"]
[5111,"68505-69-1","CCS(=O)(=O)Oc1ccc2c(c1)C(C)(C)CO2","CCS(=O)(=O)Oc1cc2c(cc1)OCC2(C)C",null,"CCS(=O)(=O)Oc1ccc2c(c1)C(C)(C)CO2","CCS(=O)(=O)Oc1cc2c(cc1)OCC2(C)C",null,"CCS(=O)(=O)Oc1ccc2c(c1)C(C)(C)CO2","CCS(=O)(=O)Oc1cc2c(cc1)OCC2(C)C",null,"CCS(=O)(=O)Oc1ccc2c(c1)C(C)(C)CO2","CCS(=O)(=O)Oc1cc2c(cc1)OCC2(C)C"]
[5112,"68648-87-3",{"$nulls":3},"CCCCCCCCCCCCCc1ccccc1","CCCCCCCCCCCCCc1ccccc1"]
[5113,"68659-48-3","CC(=O)NC(=O)COC(=O)c1ccccc1","CC(=O)NC(=O)COC(=O)c1ccccc1"]
[5114,"68694-11-1","CCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n1ccnc1","CCCOCC(=Nc1c(cc(cc1)Cl)C(F)(F)F)n2cncc2",null,"CCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n1ccnc1","CCCOCC(=Nc1c(cc(cc1)Cl)C(F)(F)F)n2cncc2",null,"CCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n1ccnc1","CCCOCC(=Nc1c(cc(cc1)Cl)C(F)(F)F)n2cncc2",null,"CCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n1ccnc1","CCCOCC(=Nc1c(cc(cc1)Cl)C(F)(F)F)n2cncc2"]
[5115,"68914-97-6",{"$nulls":3},"Clc1ccc(Oc2ccccc2Cl)c(Cl)c1","Clc1cc(c(cc1)Oc2c(cccc2)Cl)Cl",null,"Clc1ccc(Oc2ccccc2Cl)c(Cl)c1","Clc1cc(c(cc1)Oc2c(cccc2)Cl)Cl",null,"Clc1ccc(Oc2ccccc2Cl)c(Cl)c1","Clc1cc(c(cc1)Oc2c(cccc2)Cl)Cl"]
[5116,"69079-96-5"]
[5117,"69327-76-0","CC(C)N1C(=O)N(c2ccccc2)CSC1=NC(C)(C)C","CC(C)N1C(SCN(C1=O)c2ccccc2)=NC(C)(C)C",null,"CC(C)N1C(=O)N(c2ccccc2)CSC1=NC(C)(C)C","CC(C)N1C(SCN(C1=O)c2ccccc2)=NC(C)(C)C",null,"CC(C)N1C(=O)N(c2ccccc2)CSC1=NC(C)(C)C","CC(C)N1C(SCN(C1=O)c2ccccc2)=NC(C)(C)C",null,"CC(C)N1C(=O)N(c2ccccc2)CSC1=NC(C)(C)C","CC(C)N1C(SCN(C1=O)c2ccccc2)=NC(C)(C)C"]
[5118,"69360-16-3","N#Cc1ccccc1S(=O)(=O)Nc1ccccc1","N#Cc1c(cccc1)S(=O)(=O)Nc2ccccc2",{"$nulls":4},"N#Cc1ccccc1S(=O)(=O)Nc1ccccc1","N#Cc1c(cccc1)S(=O)(=O)Nc2ccccc2"]
[5119,"69377-81-7","Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl","Nc1c(c(nc(c1Cl)F)OCC(=O)O)Cl",null,"Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl","Nc1c(c(nc(c1Cl)F)OCC(=O)O)Cl",null,"Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl","Nc1c(c(nc(c1Cl)F)OCC(=O)O)Cl",null,"Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl","Nc1c(c(nc(c1Cl)F)OCC(=O)O)Cl"]
[5120,"69409-94-5","CC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC(C)C(Nc1c(cc(cc1)C(F)(F)F)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3",null,"CC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC(C)C(Nc1c(cc(cc1)C(F)(F)F)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3",null,"CC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC(C)C(Nc1c(cc(cc1)C(F)(F)F)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3",null,"CC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC(C)C(Nc1c(cc(cc1)C(F)(F)F)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3"]
[5121,"69497-24-1","OCC(Cl)(Cl)Br","OCC(Cl)(Cl)Br",{"$nulls":4},"OCC(Cl)(Cl)Br","OCC(Cl)(Cl)Br",null,"OCC(Cl)(Cl)Br","OCC(Cl)(Cl)Br"]
[5122,"69581-33-5","O=C1OCCC1N(C(=O)C1CC1)c1cccc(Cl)c1","O=C1C(CCO1)N(C(=O)C2CC2)c3cc(ccc3)Cl",null,"O=C1OCCC1N(C(=O)C1CC1)c1cccc(Cl)c1","O=C1C(CCO1)N(C(=O)C2CC2)c3cc(ccc3)Cl",null,"O=C1OCCC1N(C(=O)C1CC1)c1cccc(Cl)c1","O=C1C(CCO1)N(C(=O)C2CC2)c3cc(ccc3)Cl",null,"O=C1OCCC1N(C(=O)C1CC1)c1cccc(Cl)c1","O=C1C(CCO1)N(C(=O)C2CC2)c3cc(ccc3)Cl"]
[5123,"69646-36-2","CC(CC(C)(C(=O)O)C(=O)O)C(=O)O","CC(CC(C)(C(=O)O)C(=O)O)C(=O)O",{"$nulls":4},"CC(CC(C)(C(=O)O)C(=O)O)C(=O)O","CC(CC(C)(C(=O)O)C(=O)O)C(=O)O",null,"CC(CC(C)(C(=O)O)C(=O)O)C(=O)O","CC(CC(C)(C(=O)O)C(=O)O)C(=O)O"]
[5124,"69687-19-0","CC1CCCCC1(O)C(=O)O","CC1C(CCCC1)(O)C(=O)O"]
[5125,"69695-04-1",{"$nulls":9},"CC(C)C1OCC2(CO1)COC(C(C)C)OC2","CC(C)C1OCC2(CO1)COC(OC2)C(C)C"]
[5126,"69727-40-8","O=C(O)c1occ(Cl)c1Cl","O=C(O)c1c(c(co1)Cl)Cl",null,"O=C(O)c1occ(Cl)c1Cl","O=C(O)c1c(c(co1)Cl)Cl",null,"O=C(O)c1occ(Cl)c1Cl","O=C(O)c1c(c(co1)Cl)Cl",null,"O=C(O)c1occ(Cl)c1Cl","O=C(O)c1c(c(co1)Cl)Cl"]
[5127,"69732-99-6","O=[N+]([O-])Nc1ccc(Cl)cc1Cl","O=[N+]([O-])Nc1c(cc(cc1)Cl)Cl"]
[5128,"69782-91-8","Clc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl"]
[5129,"69806-34-4","CC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O","CC(Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl)C(=O)O",null,"CC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)[O-]","CC(Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl)C(=O)O","[Na+](1)","CC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O","CC(Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl)C(=O)O",null,"CC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O","CC(Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl)C(=O)O"]
[5130,"69806-40-2","COC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl",null,"COC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl",null,"COC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl",null,"COC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl"]
[5131,"69806-50-4",{"$nulls":3},"CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1","CCCCOC(=O)C(C)Oc1ccc(cc1)Oc2ncc(cc2)C(F)(F)F",{"$nulls":4},"CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1","CCCCOC(=O)C(C)Oc1ccc(cc1)Oc2ncc(cc2)C(F)(F)F"]
[5132,"69969-22-8",{"$nulls":3},"COC(=O)c1ccc(C)cc1C1=NC(C)(C(C)C)C(=O)N1","COC(=O)c1c(cc(cc1)C)C=2NC(C(N2)(C)C(C)C)=O",{"$nulls":4},"COC(=O)c1ccc(C)cc1C1=NC(=O)C(C)(C(C)C)N1","COC(=O)c1c(cc(cc1)C)C=2NC(C(N2)=O)(C)C(C)C"]
[5133,"69969-62-6",{"$nulls":3},"COC(=O)c1cc(C)ccc1C1=NC(C)(C(C)C)C(=O)N1","COC(=O)c1c(ccc(c1)C)C=2NC(C(N2)(C)C(C)C)=O",{"$nulls":4},"COC(=O)c1cc(C)ccc1C1=NC(=O)C(C)(C(C)C)N1","COC(=O)c1c(ccc(c1)C)C=2NC(C(N2)=O)(C)C(C)C"]
[5134,"70124-77-5","CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)F",null,"CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)F",null,"CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)F",null,"CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)F"]
[5135,"70136-02-6","CCCCCCCCOC(=O)c1cccnc1","CCCCCCCCOC(=O)c1cnccc1",null,"CCCCCCCCOC(=O)c1cccnc1","CCCCCCCCOC(=O)c1cnccc1",null,"CCCCCCCCOC(=O)c1cccnc1","CCCCCCCCOC(=O)c1cnccc1",null,"CCCCCCCCOC(=O)c1cccnc1","CCCCCCCCOC(=O)c1cnccc1"]
[5136,"70278-03-4","CC(=O)NC(CSc1ccccc1Cl)C(=O)O","CC(=O)NC(CSc1c(cccc1)Cl)C(=O)O",{"$nulls":4},"CC(=O)NC(CSc1ccccc1Cl)C(=O)O","CC(=O)NC(CSc1c(cccc1)Cl)C(=O)O"]
[5137,"70362-45-7","Clc1ccccc1-c1c(Cl)ccc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl",null,"Clc1ccccc1-c1c(Cl)ccc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl",null,"Clc1ccccc1-c1c(Cl)ccc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl",null,"Clc1ccccc1-c1c(Cl)ccc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl"]
[5138,"70362-46-8","Clc1cc(Cl)c(Cl)c(-c2ccccc2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(cccc2)Cl",null,"Clc1ccc(Cl)c(-c2cccc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(ccc2)Cl)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2ccccc2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(cccc2)Cl",null,"Clc1cc(Cl)c(Cl)c(-c2ccccc2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(cccc2)Cl"]
[5139,"70362-47-9","Clc1cc(Cl)c(-c2ccccc2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(cccc2)Cl)Cl",null,"Clc1cc(Cl)c(-c2ccccc2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(cccc2)Cl)Cl",{"$nulls":4},"Clc1cc(Cl)c(-c2ccccc2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(cccc2)Cl)Cl"]
[5140,"70362-48-0","Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl",null,"Clc1ccccc1-c1cc(Cl)c(Cl)c(Cl)c1","Clc1c(cccc1)-c2cc(c(c(c2)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl",null,"Clc1ccccc1-c1cc(Cl)c(Cl)c(Cl)c1","Clc1c(cccc1)-c2cc(c(c(c2)Cl)Cl)Cl"]
[5141,"70404-40-9"]
[5142,"70424-70-3","Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl",null,"Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl"]
[5143,"70476-82-3","O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21","O=C1c2c(C(c3c1c(O)ccc3O)=O)c(NCCNCCO)ccc2NCCNCCO","[Cl-](2), [H+](2)","O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21","O=C1c2c(C(c3c1c(O)ccc3O)=O)c(NCCNCCO)ccc2NCCNCCO","[Cl-](2), [H+](2)","O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21","O=C1c2c(C(c3c1c(O)ccc3O)=O)c(NCCNCCO)ccc2NCCNCCO",null,"O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21","O=C1c2c(C(c3c1c(O)ccc3O)=O)c(NCCNCCO)ccc2NCCNCCO","Cl(2)"]
[5144,"70561-60-3","CCSC(=S)NC(C)C(=O)O","CCSC(=S)NC(C)C(=O)O"]
[5145,"70585-36-3"]
[5146,"70630-17-0",{"$nulls":6},"COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC",null,"COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC"]
[5147,"70772-73-5",{"$nulls":3},"O=P1(N(CCCl)CCCl)NCCCCO1","O=P1(OCCCCN1)N(CCCl)CCCl"]
[5148,"71119-13-6"]
[5149,"71119-16-9"]
[5150,"71119-19-2"]
[5151,"71119-21-6"]
[5152,"71119-24-9"]
[5153,"71119-25-0",{"$nulls":9},"Nc1ccc(S(=O)(=O)Nc2nnc(N)s2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2sc(nn2)N"]
[5154,"71119-32-9",{"$nulls":3},"CCCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CCCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},"CCCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CCCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N"]
[5155,"71119-34-1"]
[5156,"71119-36-3"]
[5157,"71119-38-5"]
[5158,"71119-39-6"]
[5159,"71138-72-2",{"$nulls":3},"CCOc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","CCOc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},"CCOc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","CCOc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N"]
[5160,"71203-44-6","CCC(Cl)(CC)C(N)=O","CCC(Cl)(CC)C(N)=O"]
[5161,"71283-80-2","CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",null,"CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",null,"CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",null,"CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3"]
[5162,"71548-53-3","CCCCCCN1CC(C(=O)OC)CC1=O","CCCCCCN1C(CC(C1)C(=O)OC)=O",null,"CCCCCCN1CC(C(=O)OC)CC1=O","CCCCCCN1C(CC(C1)C(=O)OC)=O"]
[5163,"71561-11-0","Cc1nn(C)c(OCC(=O)c2ccccc2)c1C(=O)c1ccc(Cl)cc1Cl","Cc1c(c(n(n1)C)OCC(=O)c2ccccc2)C(=O)c3c(cc(cc3)Cl)Cl",null,"Cc1nn(C)c(OCC(=O)c2ccccc2)c1C(=O)c1ccc(Cl)cc1Cl","Cc1c(c(n(n1)C)OCC(=O)c2ccccc2)C(=O)c3c(cc(cc3)Cl)Cl",null,"Cc1nn(C)c(OCC(=O)c2ccccc2)c1C(=O)c1ccc(Cl)cc1Cl","Cc1c(c(n(n1)C)OCC(=O)c2ccccc2)C(=O)c3c(cc(cc3)Cl)Cl",null,"Cc1nn(C)c(OCC(=O)c2ccccc2)c1C(=O)c1ccc(Cl)cc1Cl","Cc1c(c(n(n1)C)OCC(=O)c2ccccc2)C(=O)c3c(cc(cc3)Cl)Cl"]
[5164,"71626-11-4","COC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C","COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(cccc2C)C",null,"COC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C","COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(cccc2C)C",null,"COC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C","COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(cccc2C)C",null,"COC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C","COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(cccc2C)C"]
[5165,"71697-59-1",{"$nulls":3},"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C"]
[5166,"71720-65-5"]
[5167,"71720-66-6"]
[5168,"71721-66-9","NC(=O)C(=NO)C(N)=O","NC(=O)C(=NO)C(N)=O",null,"NC(=O)C(=NO)C(N)=O","NC(=O)C(=NO)C(N)=O",null,"NC(=O)C(=NO)C(N)=O","NC(=O)C(=NO)C(N)=O",null,"NC(=O)C(=NO)C(N)=O","NC(=O)C(=NO)C(N)=O"]
[5169,"71815-46-8","O=C(O)C(Br)=C(Br)Br","O=C(O)C(Br)=C(Br)Br",{"$nulls":4},"O=C(O)C(Br)=C(Br)Br","O=C(O)C(Br)=C(Br)Br",null,"O=C(O)C(Br)=C(Br)Br","O=C(O)C(Br)=C(Br)Br"]
[5170,"71815-47-9","O=C(O)C(Br)=C(Br)I","O=C(O)C(Br)=C(Br)I",{"$nulls":4},"O=C(O)C(Br)=C(Br)I","O=C(O)C(Br)=C(Br)I",null,"O=C(O)C(Br)=C(Br)I","O=C(O)C(Br)=C(Br)I"]
[5171,"71954-28-4","CCS(=O)(=O)NS(=O)(=O)CC","CCS(=O)(=O)NS(=O)(=O)CC",{"$nulls":4},"CCS(=O)(=O)NS(=O)(=O)CC","CCS(=O)(=O)NS(=O)(=O)CC",null,"CCS(=O)(=O)NS(=O)(=O)CC","CCS(=O)(=O)NS(=O)(=O)CC"]
[5172,"72178-02-0","CS(=O)(=O)NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CS(=O)(=O)NC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",null,"CS(=O)(=O)[N-]C(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CS(=O)(=O)NC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","[Na+](1)","CS(=O)(=O)NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CS(=O)(=O)NC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",null,"CS(=O)(=O)NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CS(=O)(=O)NC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]"]
[5173,"72391-46-9","CCOC(=O)C1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",null,"CCOC(=O)C1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",null,"CCOC(=O)C1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",null,"CCOC(=O)C1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C"]
[5174,"72459-58-6","[O-][n+]1nc(-n2ccnc2)nc2ccc(Cl)cc21","[O-][n+]1c2c(nc(n1)-n3cncc3)ccc(Cl)c2",null,"[O-][n+]1nc(-n2ccnc2)nc2ccc(Cl)cc21","[O-][n+]1c2c(nc(n1)-n3cncc3)ccc(Cl)c2",null,"O=[n+]1[n-]c(-n2ccnc2)nc2ccc(Cl)cc21","O=[n+]1[n-]c(-n2ccnc2)nc2ccc(Cl)cc21",null,"O=[n+]1[n-]c(-n2ccnc2)nc2ccc(Cl)cc21","O=[n+]1[n-]c(-n2ccnc2)nc2ccc(Cl)cc21"]
[5175,"72490-01-8","CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2",null,"CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2",null,"CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2",null,"CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2"]
[5176,"72828-64-9",{"$nulls":3},"CCCCN(CCOC(C)=O)c1ccc(N=Nc2c(C#N)cc([N+](=O)[O-])cc2C#N)c(C)c1","CCCCN(CCOC(C)=O)c1cc(c(cc1)N=Nc2c(cc(cc2C#N)[N+](=O)[O-])C#N)C",{"$nulls":4},"CCCCN(CCOC(C)=O)c1ccc(N=Nc2c(C#N)cc([N+](=O)[O-])cc2C#N)c(C)c1","CCCCN(CCOC(C)=O)c1cc(c(cc1)N=Nc2c(cc(cc2C#N)[N+](=O)[O-])C#N)C"]
[5177,"72850-64-7","O=C(OCc1ccccc1)c1sc(Cl)nc1C(F)(F)F","O=C(OCc1ccccc1)c2c(nc(s2)Cl)C(F)(F)F",null,"O=C(OCc1ccccc1)c1sc(Cl)nc1C(F)(F)F","O=C(OCc1ccccc1)c2c(nc(s2)Cl)C(F)(F)F",null,"O=C(OCc1ccccc1)c1sc(Cl)nc1C(F)(F)F","O=C(OCc1ccccc1)c2c(nc(s2)Cl)C(F)(F)F",null,"O=C(OCc1ccccc1)c1sc(Cl)nc1C(F)(F)F","O=C(OCc1ccccc1)c2c(nc(s2)Cl)C(F)(F)F"]
[5178,"72869-86-4",{"$nulls":3},"C=C(C)C(=O)OCCOC(=O)NCCC(C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C","C=C(C)C(=O)OCCOC(=O)NCCC(C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C"]
[5179,"72898-29-4","CC=Cc1ccc(O)c(O)c1","CC=Cc1cc(c(cc1)O)O",{"$nulls":7},"CC=Cc1ccc(O)c(O)c1","CC=Cc1cc(c(cc1)O)O"]
[5180,"72963-72-5","C#CCN1CC(=O)N(COC(=O)C2C(C=C(C)C)C2(C)C)C1=O","C#CCN1C(N(C(C1)=O)COC(=O)C2C(C2C=C(C)C)(C)C)=O",null,"C#CCN1CC(=O)N(COC(=O)C2C(C=C(C)C)C2(C)C)C1=O","C#CCN1C(N(C(C1)=O)COC(=O)C2C(C2C=C(C)C)(C)C)=O",null,"C#CCN1CC(=O)N(COC(=O)C2C(C=C(C)C)C2(C)C)C1=O","C#CCN1C(N(C(C1)=O)COC(=O)C2C(C2C=C(C)C)(C)C)=O",null,"C#CCN1CC(=O)N(COC(=O)C2C(C=C(C)C)C2(C)C)C1=O","C#CCN1C(N(C(C1)=O)COC(=O)C2C(C2C=C(C)C)(C)C)=O"]
[5181,"73250-68-7","CN(C(=O)COc1nc2ccccc2s1)c1ccccc1","CN(C(=O)COc1sc2c(n1)cccc2)c3ccccc3",null,"CN(C(=O)COc1nc2ccccc2s1)c1ccccc1","CN(C(=O)COc1sc2c(n1)cccc2)c3ccccc3",null,"CN(C(=O)COc1nc2ccccc2s1)c1ccccc1","CN(C(=O)COc1sc2c(n1)cccc2)c3ccccc3",null,"CN(C(=O)COc1nc2ccccc2s1)c1ccccc1","CN(C(=O)COc1sc2c(n1)cccc2)c3ccccc3"]
[5182,"73575-53-8","Clc1cccc(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(ccc1)-c2c(cc(c(c2)Cl)Cl)Cl",null,"Clc1cccc(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(ccc1)-c2c(cc(c(c2)Cl)Cl)Cl",null,"Clc1cccc(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(ccc1)-c2c(cc(c(c2)Cl)Cl)Cl",null,"Clc1cccc(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(ccc1)-c2c(cc(c(c2)Cl)Cl)Cl"]
[5183,"73575-56-1","Clc1ccccc1-c1c(Cl)c(Cl)cc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",null,"Clc1ccccc1-c1c(Cl)c(Cl)cc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",null,"Clc1ccccc1-c1c(Cl)c(Cl)cc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",null,"Clc1ccccc1-c1c(Cl)c(Cl)cc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl"]
[5184,"73575-57-2","Clc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(cccc2Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(cccc2Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(cccc2Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(cccc2Cl)Cl)Cl)Cl"]
[5185,"73727-45-4","CCC1CCC2(CCC(CC)O2)O1","CCC1OC2(CC1)OC(CC2)CC",{"$nulls":7},"CCC1CCC2(CCC(CC)O2)O1","CCC1OC2(CC1)OC(CC2)CC"]
[5186,"73747-55-4",{"$nulls":3},"CCCCCCOC(=O)C(C)OC(=O)C(C)O","CCCCCCOC(=O)C(C)OC(=O)C(C)O"]
[5187,"73937-25-4","Cc1cc(C)nc(C(N)=O)n1","Cc1nc(nc(c1)C)C(N)=O",{"$nulls":4},"Cc1cc(C)nc(C(N)=O)n1","Cc1nc(nc(c1)C)C(N)=O",null,"Cc1cc(C)nc(C(N)=O)n1","Cc1nc(nc(c1)C)C(N)=O"]
[5188,"74050-98-9","O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1","O=C(c1ccc(cc1)F)C2CCN(CC2)CCn3c(c4c([nH]c3=O)cccc4)=O",null,"O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1","O=C(c1ccc(cc1)F)C2CCN(CC2)CCn3c(c4c([nH]c3=O)cccc4)=O",null,"O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1","O=C(c1ccc(cc1)F)C2CCN(CC2)CCn3c(c4c([nH]c3=O)cccc4)=O",null,"O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1","O=C(c1ccc(cc1)F)C2CCN(CC2)CCn3c(c4c([nH]c3=O)cccc4)=O"]
[5189,"74059-43-1"]
[5190,"74070-46-5","Nc1c([N+](=O)[O-])ccc(Oc2ccccc2)c1Cl","Nc1c(c(ccc1[N+](=O)[O-])Oc2ccccc2)Cl",null,"Nc1c([N+](=O)[O-])ccc(Oc2ccccc2)c1Cl","Nc1c(c(ccc1[N+](=O)[O-])Oc2ccccc2)Cl",null,"Nc1c([N+](=O)[O-])ccc(Oc2ccccc2)c1Cl","Nc1c(c(ccc1[N+](=O)[O-])Oc2ccccc2)Cl",null,"Nc1c([N+](=O)[O-])ccc(Oc2ccccc2)c1Cl","Nc1c(c(ccc1[N+](=O)[O-])Oc2ccccc2)Cl"]
[5191,"74099-07-3","CCOc1ccc(NC(=O)NN)cc1","CCOc1ccc(cc1)NC(=O)NN"]
[5192,"74115-24-5","Clc1ccccc1-c1nnc(-c2ccccc2Cl)nn1","Clc1c(cccc1)-c2nnc(nn2)-c3c(cccc3)Cl",null,"Clc1ccccc1-c1nnc(-c2ccccc2Cl)nn1","Clc1c(cccc1)-c2nnc(nn2)-c3c(cccc3)Cl",null,"Clc1ccccc1-c1nnc(-c2ccccc2Cl)nn1","Clc1c(cccc1)-c2nnc(nn2)-c3c(cccc3)Cl"]
[5193,"74222-97-2","COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)C)C",null,"COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)C)C",null,"COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)C)C",null,"COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)C)C"]
[5194,"74338-24-2","Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1","Clc1cc(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl",null,"Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1","Clc1cc(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl",null,"Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1","Clc1cc(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl",null,"Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1","Clc1cc(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl"]
[5195,"74472-34-7","Clc1ccc(-c2cc(Cl)cc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(cc(c2)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)cc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(cc(c2)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)cc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(cc(c2)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)cc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(cc(c2)Cl)Cl)Cl"]
[5196,"74472-36-9","Clc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",null,"Clc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",null,"Clc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",null,"Clc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl"]
[5197,"74472-37-0","Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl"]
[5198,"74472-38-1","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl"]
[5199,"74472-42-7","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl"]
[5200,"74472-44-9","Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl"]
[5201,"74472-45-0","Clc1cc(-c2c(Cl)ccc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)ccc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)ccc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)ccc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl"]
[5202,"74472-46-1","Clc1cc(Cl)cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl"]
[5203,"74472-47-2","Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl"]
[5204,"74472-50-7","Clc1cc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl"]
[5205,"74472-51-8","Clc1cc(Cl)cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl"]
[5206,"74472-52-9","Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl"]
[5207,"74472-53-0","Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl"]
[5208,"74487-85-7",{"$nulls":3},"Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",null,"Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl"]
[5209,"74553-29-0","O=Cc1cc(Br)ccc1Br","O=Cc1c(ccc(c1)Br)Br",{"$nulls":4},"O=Cc1cc(Br)ccc1Br","O=Cc1c(ccc(c1)Br)Br",null,"O=Cc1cc(Br)ccc1Br","O=Cc1c(ccc(c1)Br)Br"]
[5210,"74692-14-1","O=S(=O)(O)C(Cl)S(=O)(=O)O","O=S(=O)(O)C(Cl)S(=O)(=O)O",{"$nulls":4},"O=S(=O)(O)C(Cl)S(=O)(=O)O","O=S(=O)(O)C(Cl)S(=O)(=O)O",null,"O=S(=O)(O)C(Cl)S(=O)(=O)O","O=S(=O)(O)C(Cl)S(=O)(=O)O"]
[5211,"74708-88-6"]
[5212,"74712-19-9","CC(C)(NC(=O)C(Br)C(C)(C)C)c1ccccc1","CC(C)(NC(=O)C(Br)C(C)(C)C)c1ccccc1",null,"CC(C)(NC(=O)C(Br)C(C)(C)C)c1ccccc1","CC(C)(NC(=O)C(Br)C(C)(C)C)c1ccccc1",null,"CC(C)(N=C(O)C(Br)C(C)(C)C)c1ccccc1","CC(C)(N=C(O)C(Br)C(C)(C)C)c1ccccc1",null,"CC(C)(N=C(O)C(Br)C(C)(C)C)c1ccccc1","CC(C)(N=C(O)C(Br)C(C)(C)C)c1ccccc1"]
[5213,"74738-17-3","N#Cc1c[nH]cc1-c1cccc(Cl)c1Cl","N#Cc1c(c[nH]c1)-c2c(c(ccc2)Cl)Cl",null,"N#Cc1c[nH]cc1-c1cccc(Cl)c1Cl","N#Cc1c(c[nH]c1)-c2c(c(ccc2)Cl)Cl",null,"N#Cc1c[nH]cc1-c1cccc(Cl)c1Cl","N#Cc1c(c[nH]c1)-c2c(c(ccc2)Cl)Cl",null,"N#Cc1c[nH]cc1-c1cccc(Cl)c1Cl","N#Cc1c(c[nH]c1)-c2c(c(ccc2)Cl)Cl"]
[5214,"74778-22-6"]
[5215,"74782-23-3","N#CC(=NOCC1OCCO1)c1ccccc1","N#CC(=NOCC1OCCO1)c2ccccc2",null,"N#CC(=NOCC1OCCO1)c1ccccc1","N#CC(=NOCC1OCCO1)c2ccccc2",null,"C#CC(=NOCC1OCCO1)c1ccccc1","C#CC(=NOCC1OCCO1)c2ccccc2",null,"C#CC(=NOCC1OCCO1)c1ccccc1","C#CC(=NOCC1OCCO1)c2ccccc2"]
[5216,"75736-33-3",{"$nulls":3},"CC(C)(C)C(O)C(Cc1ccc(Cl)cc1Cl)n1cncn1","CC(C)(C)C(O)C(Cc1c(cc(cc1)Cl)Cl)n2ncnc2",{"$nulls":4},"CC(C)(C)C(O)C(Cc1ccc(Cl)cc1Cl)n1cncn1","CC(C)(C)C(O)C(Cc1c(cc(cc1)Cl)Cl)n2ncnc2"]
[5217,"75847-73-3","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C(=O)O","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C(CCC2)C(=O)O",null,"CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C(=O)O","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C(CCC2)C(=O)O",null,"CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C(=O)O","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C(CCC2)C(=O)O",null,"CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C(=O)O","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C(CCC2)C(=O)O"]
[5218,"75889-62-2",{"$nulls":3},"CCOP(=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)OCC","CCOP(=O)(Cc1ccc(cc1)-c2sc3c(n2)cccc3)OCC","P[H]OSP[H]ONIC(1)",{"$nulls":3},"CCOP(=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)OCC","CCOP(=O)(Cc1ccc(cc1)-c2sc3c(n2)cccc3)OCC","P[H]OSP[H]ONIC(1)"]
[5219,"76146-27-5","CCN1CC(=O)N=C1N","CCN1C(=NC(C1)=O)N",null,"CCN1CC(=O)N=C1N","CCN1C(=NC(C1)=O)N",null,"CCN1CC(=O)N=C1N","CCN1C(=NC(C1)=O)N",null,"CCN1CC(=O)N=C1N","CCN1C(=NC(C1)=O)N"]
[5220,"76193-99-2",{"$nulls":9},"CC1(C)CC(C(=O)O)C(C)(C)N1","CC1(NC(C(C1)C(=O)O)(C)C)C"]
[5221,"76199-02-5","O=C(NOC(=O)c1ccco1)c1ccco1","O=C(NOC(=O)c1occc1)c2occc2"]
[5222,"76280-91-6","O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1cccc(Cl)c1Cl","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)Nc2c(c(ccc2)Cl)Cl",null,"O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1cccc(Cl)c1Cl","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)Nc2c(c(ccc2)Cl)Cl",null,"O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(O)=Nc1cccc(Cl)c1Cl","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(O)=Nc2c(c(ccc2)Cl)Cl",null,"O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(O)=Nc1cccc(Cl)c1Cl","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(O)=Nc2c(c(ccc2)Cl)Cl"]
[5223,"76371-36-3","O=S(=O)(O)C(Cl)(S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)C(Cl)(S(=O)(=O)O)S(=O)(=O)O",{"$nulls":4},"O=S(=O)(O)C(Cl)(S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)C(Cl)(S(=O)(=O)O)S(=O)(=O)O",null,"O=S(=O)(O)C(Cl)(S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)C(Cl)(S(=O)(=O)O)S(=O)(=O)O"]
[5224,"76385-53-0","CCOC(=O)C(C)NC(=O)CCl","CCOC(=O)C(C)NC(=O)CCl",{"$nulls":4},"CCOC(=O)C(C)N=C(O)CCl","CCOC(=O)C(C)N=C(O)CCl",null,"CCOC(=O)C(C)N=C(O)CCl","CCOC(=O)C(C)N=C(O)CCl"]
[5225,"76432-30-9",{"$nulls":3},"CSCOC(=O)c1ccccc1OC(C)=O","CSCOC(=O)c1c(cccc1)OC(C)=O",{"$nulls":4},"CSCOC(=O)c1ccccc1OC(C)=O","CSCOC(=O)c1c(cccc1)OC(C)=O"]
[5226,"76432-33-2",{"$nulls":3},"CC(=O)Oc1ccccc1C(=O)OCS(C)=O","CC(=O)Oc1c(cccc1)C(=O)OCS(C)=O"]
[5227,"76432-35-4",{"$nulls":3},"CC(=O)Oc1ccccc1C(=O)OCS(C)(=O)=O","CC(=O)Oc1c(cccc1)C(=O)OCS(C)(=O)=O",{"$nulls":4},"CC(=O)Oc1ccccc1C(=O)OCS(C)(=O)=O","CC(=O)Oc1c(cccc1)C(=O)OCS(C)(=O)=O"]
[5228,"76466-16-5","CC(Oc1ccccc1Cl)C(=O)O","CC(Oc1c(cccc1)Cl)C(=O)O",null,"CC(Oc1ccccc1Cl)C(=O)O","CC(Oc1c(cccc1)Cl)C(=O)O",null,"CC(Oc1ccccc1Cl)C(=O)O","CC(Oc1c(cccc1)Cl)C(=O)O"]
[5229,"76578-12-6","CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)O",null,"CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)O",null,"CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)O",null,"CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)O"]
[5230,"76578-14-8","CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",null,"CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",null,"CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",null,"CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3"]
[5231,"76674-21-0",{"$nulls":3},"OC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F","OC(Cn1ncnc1)(c2ccc(cc2)F)c3c(cccc3)F",null,"OC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F","OC(Cn1ncnc1)(c2ccc(cc2)F)c3c(cccc3)F",null,"OC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F","OC(Cn1ncnc1)(c2ccc(cc2)F)c3c(cccc3)F"]
[5232,"76738-62-0","CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n2cncn2(1)","CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n2cncn2(1)","CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Cc1ccc(cc1)Cl)n2ncnc2",null,"CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Cc1ccc(cc1)Cl)n2ncnc2"]
[5233,"76842-07-4","Clc1cc(-c2cccc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(ccc2)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2cccc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(ccc2)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2cccc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(ccc2)Cl)Cl)Cl)Cl",null,"Clc1cc(-c2cccc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(ccc2)Cl)Cl)Cl)Cl"]
[5234,"77044-59-8"]
[5235,"77182-82-2","CP(=O)(O)CCC(N)C(=O)[O-]","CP(=O)(O)CCC(N)C(=O)O","[NH4+](1)","CP(=O)(O)CCC(N)C(=O)[O-]","CP(=O)(O)CCC(N)C(=O)O","[NH4+](1)","CP(=O)(O)CCC(N)C(=O)[O-]","CP(=O)(O)CCC(N)C(=O)O","[NH4+](1)","CP(=O)(O)CCC(N)C(=O)[O-]","CP(=O)(O)CCC(N)C(=O)O","[NH4+](1)"]
[5236,"77186-02-8"]
[5237,"77214-70-1","CC(C)CC(N)C(=O)NC(C)C(=O)NCC(=O)O","CC(C)CC(N)C(=O)NC(C)C(=O)NCC(=O)O",{"$nulls":4},"CC(C)CC(N)C(O)=NC(C)C(O)=NCC(=O)O","CC(C)CC(N)C(O)=NC(C)C(O)=NCC(=O)O",null,"CC(C)CC(N)C(O)=NC(C)C(O)=NCC(=O)O","CC(C)CC(N)C(O)=NC(C)C(O)=NCC(=O)O"]
[5238,"77333-18-7","CCOC(=O)N(C)CC","CCOC(=O)N(C)CC",{"$nulls":4},"CCOC(=O)N(C)CC","CCOC(=O)N(C)CC",null,"CCOC(=O)N(C)CC","CCOC(=O)N(C)CC"]
[5239,"77458-01-6","CCCSP(=O)(OCC)Oc1cnn(-c2ccc(Cl)cc2)c1","CCCSP(=O)(OCC)Oc1cn(nc1)-c2ccc(cc2)Cl",null,"CCCSP(=O)(OCC)Oc1cnn(-c2ccc(Cl)cc2)c1","CCCSP(=O)(OCC)Oc1cn(nc1)-c2ccc(cc2)Cl",null,"CCCSP(=O)(OCC)Oc1cnn(-c2ccc(Cl)cc2)c1","CCCSP(=O)(OCC)Oc1cn(nc1)-c2ccc(cc2)Cl",null,"CCCSP(=O)(OCC)Oc1cnn(-c2ccc(Cl)cc2)c1","CCCSP(=O)(OCC)Oc1cn(nc1)-c2ccc(cc2)Cl"]
[5240,"77501-63-4","CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOC(=O)C(C)OC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",null,"CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOC(=O)C(C)OC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",null,"CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOC(=O)C(C)OC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",null,"CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOC(=O)C(C)OC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]"]
[5241,"77501-90-7",{"$nulls":3},"CCOC(=O)COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOC(=O)COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",{"$nulls":4},"CCOC(=O)COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOC(=O)COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]"]
[5242,"77533-80-3","CCOC(CC(C)O)OCC","CCOC(CC(C)O)OCC",{"$nulls":4},"CCOC(CC(C)O)OCC","CCOC(CC(C)O)OCC",null,"CCOC(CC(C)O)OCC","CCOC(CC(C)O)OCC"]
[5243,"77632-11-2","NN=c1nc[nH]c2nccnc12","NN=c1c2c([nH]cn1)nccn2",{"$nulls":4},"NNc1ncnc2nccnc12","NNc1c2c(ncn1)nccn2",null,"NNc1ncnc2nccnc12","NNc1c2c(ncn1)nccn2"]
[5244,"77633-51-3","CC(CCCCCCCCC(=O)O)CC(=O)O","CC(CCCCCCCCC(=O)O)CC(=O)O"]
[5245,"77732-09-3","COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O","COCC(=O)N(c1c(cccc1C)C)N2C(OCC2)=O",null,"COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O","COCC(=O)N(c1c(cccc1C)C)N2C(OCC2)=O",null,"COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O","COCC(=O)N(c1c(cccc1C)C)N2C(OCC2)=O",null,"COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O","COCC(=O)N(c1c(cccc1C)C)N2C(OCC2)=O"]
[5246,"78002-37-6"]
[5247,"78114-56-4","CCCCCCNC(=O)c1cccnc1","CCCCCCNC(=O)c1cnccc1",{"$nulls":4},"CCCCCCN=C(O)c1cccnc1","CCCCCCN=C(O)c1cnccc1",null,"CCCCCCN=C(O)c1cccnc1","CCCCCCN=C(O)c1cnccc1"]
[5248,"78183-37-6",{"$nulls":3},"CCC1(c2ccccc2)C(=O)NC(=O)N(CC(O)CO)C1=O","CCC1(C(N(C(NC1=O)=O)CC(O)CO)=O)c2ccccc2"]
[5249,"78587-05-0","CC1C(c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCCC1","CC1N(C(SC1c2ccc(cc2)Cl)=O)C(=O)NC3CCCCC3",null,"CC1C(c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCCC1","CC1N(C(SC1c2ccc(cc2)Cl)=O)C(=O)NC3CCCCC3",null,"CC1C(c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCCC1","CC1N(C(SC1c2ccc(cc2)Cl)=O)C(=O)NC3CCCCC3",null,"CC1C(c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCCC1","CC1N(C(SC1c2ccc(cc2)Cl)=O)C(=O)NC3CCCCC3"]
[5250,"79025-28-8","COc1ccc(C(=O)O)c([N+](=O)[O-])c1OC","COc1c(c(c(cc1)C(=O)O)[N+](=O)[O-])OC",{"$nulls":4},"COc1ccc(C(=O)O)c([N+](=O)[O-])c1OC","COc1c(c(c(cc1)C(=O)O)[N+](=O)[O-])OC",null,"COc1ccc(C(=O)O)c([N+](=O)[O-])c1OC","COc1c(c(c(cc1)C(=O)O)[N+](=O)[O-])OC"]
[5251,"79127-80-3","CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2",null,"CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2",null,"CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2",null,"CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2"]
[5252,"79241-46-6","CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1","CCCCOC(=O)C(C)Oc1ccc(cc1)Oc2ncc(cc2)C(F)(F)F",null,"CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1","CCCCOC(=O)C(C)Oc1ccc(cc1)Oc2ncc(cc2)C(F)(F)F",null,"CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1","CCCCOC(=O)C(C)Oc1ccc(cc1)Oc2ncc(cc2)C(F)(F)F"]
[5253,"79277-27-3","COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1","COC(=O)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC",null,"COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1","COC(=O)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC",null,"COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1","COC(=O)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC",null,"COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1","COC(=O)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC"]
[5254,"79538-32-2","Cc1c(F)c(F)c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)c(F)c1F","Cc1c(c(c(c(c1F)F)COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)F)F",null,"Cc1c(F)c(F)c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)c(F)c1F","Cc1c(c(c(c(c1F)F)COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)F)F",{"$nulls":4},"Cc1c(F)c(F)c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)c(F)c1F","Cc1c(c(c(c(c1F)F)COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)F)F"]
[5255,"79540-50-4",{"$nulls":6},"CCOCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1","CCOCOc1ccc(cc1)C(=O)Nc2c(c(ccc2)Cl)Cl",null,"CCOCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1","CCOCOc1ccc(cc1)C(=O)Nc2c(c(ccc2)Cl)Cl"]
[5256,"79868-38-5","CCC(CC)C(=O)N(CC)CC","CCC(CC)C(=O)N(CC)CC",{"$nulls":4},"CCC(CC)C(=O)N(CC)CC","CCC(CC)C(=O)N(CC)CC",null,"CCC(CC)C(=O)N(CC)CC","CCC(CC)C(=O)N(CC)CC"]
[5257,"79902-63-9","CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21","CCC(C)(C)C(=O)OC1C2C(=CC(C1)C)C=CC(C)C2CCC3OC(CC(C3)O)=O",null,"CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21","CCC(C)(C)C(=O)OC1C2C(=CC(C1)C)C=CC(C)C2CCC3OC(CC(C3)O)=O",null,"CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21","CCC(C)(C)C(=O)OC1C2C(=CC(C1)C)C=CC(C)C2CCC3OC(CC(C3)O)=O",null,"CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21","CCC(C)(C)C(=O)OC1C2C(=CC(C1)C)C=CC(C)C2CCC3OC(CC(C3)O)=O"]
[5258,"79983-71-4","CCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl","CCCCC(O)(Cn1ncnc1)c2c(cc(cc2)Cl)Cl",null,"CCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl","CCCCC(O)(Cn1ncnc1)c2c(cc(cc2)Cl)Cl",null,"CCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl","CCCCC(O)(Cn1ncnc1)c2c(cc(cc2)Cl)Cl",null,"CCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl","CCCCC(O)(Cn1ncnc1)c2c(cc(cc2)Cl)Cl"]
[5259,"80060-09-9","CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C","CC(C)c1c(c(cc(c1)Oc2ccccc2)C(C)C)NC(=S)NC(C)(C)C",null,"CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C","CC(C)c1c(c(cc(c1)Oc2ccccc2)C(C)C)NC(=S)NC(C)(C)C",null,"CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C","CC(C)c1c(c(cc(c1)Oc2ccccc2)C(C)C)NC(=S)NC(C)(C)C",null,"CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C","CC(C)c1c(c(cc(c1)Oc2ccccc2)C(C)C)NC(=S)NC(C)(C)C"]
[5260,"80844-07-1","CCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1","CCOc1ccc(cc1)C(C)(C)COCc2cc(ccc2)Oc3ccccc3",null,"CCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1","CCOc1ccc(cc1)C(C)(C)COCc2cc(ccc2)Oc3ccccc3",null,"CCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1","CCOc1ccc(cc1)C(C)(C)COCc2cc(ccc2)Oc3ccccc3"]
[5261,"81334-34-1","CC(C)C1(C)N=C(c2ncccc2C(=O)O)NC1=O","CC(C)C1(C(NC(=N1)c2c(cccn2)C(=O)O)=O)C",null,"CC(C)C1(C)N=C(c2ncccc2C(=O)O)NC1=O","CC(C)C1(C(NC(=N1)c2c(cccn2)C(=O)O)=O)C",null,"CC(C)C1(C)N=C(c2ncccc2C(=O)O)NC1=O","CC(C)C1(C(NC(=N1)c2c(cccn2)C(=O)O)=O)C",null,"CC(C)C1(C)N=C(c2ncccc2C(=O)O)NC1=O","CC(C)C1(C(NC(=N1)c2c(cccn2)C(=O)O)=O)C"]
[5262,"81335-37-7","CC(C)C1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O","CC(C)C1(C(NC(=N1)c2c(cc3c(n2)cccc3)C(=O)O)=O)C",null,"CC(C)C1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O","CC(C)C1(C(NC(=N1)c2c(cc3c(n2)cccc3)C(=O)O)=O)C",null,"CC(C)C1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O","CC(C)C1(C(NC(=N1)c2c(cc3c(n2)cccc3)C(=O)O)=O)C",null,"CC(C)C1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O","CC(C)C1(C(NC(=N1)c2c(cc3c(n2)cccc3)C(=O)O)=O)C"]
[5263,"81335-77-5","CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1","CCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O",null,"CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1","CCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O",null,"CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1","CCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O",null,"CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1","CCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O"]
[5264,"81405-85-8",{"$nulls":3},"COC(=O)c1ccc(C)cc1C1=NC(C)(C(C)C)C(=O)N1","COC(=O)c1c(cc(cc1)C)C=2NC(C(N2)(C)C(C)C)=O"]
[5265,"81406-37-3","CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl","CCCCCCC(C)OC(=O)COc1c(c(c(c(n1)F)Cl)N)Cl",null,"CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl","CCCCCCC(C)OC(=O)COc1c(c(c(c(n1)F)Cl)N)Cl",null,"CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl","CCCCCCC(C)OC(=O)COc1c(c(c(c(n1)F)Cl)N)Cl",null,"CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl","CCCCCCC(C)OC(=O)COc1c(c(c(c(n1)F)Cl)N)Cl"]
[5266,"81475-34-5","CCCCCCCCNC(=O)c1cccnc1","CCCCCCCCNC(=O)c1cnccc1",{"$nulls":4},"CCCCCCCCN=C(O)c1cccnc1","CCCCCCCCN=C(O)c1cnccc1",null,"CCCCCCCCN=C(O)c1cccnc1","CCCCCCCCN=C(O)c1cnccc1"]
[5267,"81475-35-6","CCCCCCCCCNC(=O)c1cccnc1","CCCCCCCCCNC(=O)c1cnccc1",{"$nulls":4},"CCCCCCCCCN=C(O)c1cccnc1","CCCCCCCCCN=C(O)c1cnccc1",null,"CCCCCCCCCN=C(O)c1cccnc1","CCCCCCCCCN=C(O)c1cnccc1"]
[5268,"81475-36-7","CCCCCCCCCCNC(=O)c1cccnc1","CCCCCCCCCCNC(=O)c1cnccc1",{"$nulls":4},"CCCCCCCCCCNC(=O)c1cccnc1","CCCCCCCCCCNC(=O)c1cnccc1",null,"CCCCCCCCCCNC(=O)c1cccnc1","CCCCCCCCCCNC(=O)c1cnccc1"]
[5269,"81475-37-8","CCCCCCCCCCCNC(=O)c1cccnc1","CCCCCCCCCCCNC(=O)c1cnccc1",{"$nulls":4},"CCCCCCCCCCCN=C(O)c1cccnc1","CCCCCCCCCCCN=C(O)c1cnccc1",null,"CCCCCCCCCCCN=C(O)c1cccnc1","CCCCCCCCCCCN=C(O)c1cnccc1"]
[5270,"81475-38-9","CCCCCCCCCCCCNC(=O)c1cccnc1","CCCCCCCCCCCCNC(=O)c1cnccc1",null,"CCCCCCCCCCCCNC(=O)c1cccnc1","CCCCCCCCCCCCNC(=O)c1cnccc1",null,"CCCCCCCCCCCCNC(=O)c1cccnc1","CCCCCCCCCCCCNC(=O)c1cnccc1",null,"CCCCCCCCCCCCNC(=O)c1cccnc1","CCCCCCCCCCCCNC(=O)c1cnccc1"]
[5271,"81777-89-1","CC1(C)CON(Cc2ccccc2Cl)C1=O","CC1(C(N(OC1)Cc2c(cccc2)Cl)=O)C",null,"CC1(C)CON(Cc2ccccc2Cl)C1=O","CC1(C(N(OC1)Cc2c(cccc2)Cl)=O)C",null,"CC1(C)CON(Cc2ccccc2Cl)C1=O","CC1(C(N(OC1)Cc2c(cccc2)Cl)=O)C",null,"CC1(C)CON(Cc2ccccc2Cl)C1=O","CC1(C(N(OC1)Cc2c(cccc2)Cl)=O)C"]
[5272,"81882-67-9","NC(=O)c1cccc(NC(=O)c2cccc(N)c2)c1","NC(=O)c1cc(ccc1)NC(=O)c2cc(ccc2)N"]
[5273,"82097-50-5","COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1","COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c2c(cccc2)OCCCl",null,"COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1","COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c2c(cccc2)OCCCl",null,"COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1","COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c2c(cccc2)OCCCl",null,"COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1","COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c2c(cccc2)OCCCl"]
[5274,"82110-72-3","CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",null,"CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",null,"CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",null,"CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3"]
[5275,"82153-77-3","ON=C1C=CC(=NO)c2ncccc21","ON=C1c2c(C(C=C1)=NO)nccc2",{"$nulls":4},"ON=C1C=CC(=NO)c2ncccc21","ON=C1c2c(C(C=C1)=NO)nccc2",null,"ON=C1C=CC(=NO)c2ncccc21","ON=C1c2c(C(C=C1)=NO)nccc2"]
[5276,"82200-72-4",{"$nulls":3},"CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2"]
[5277,"82211-24-3","O=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccncc1","O=C(Nc1c(cc(cc1)Cl)C(O)c2ccccc2)c3ccncc3",null,"O=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccncc1","O=C(Nc1c(cc(cc1)Cl)C(O)c2ccccc2)c3ccncc3",null,"O=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccncc1","O=C(Nc1c(cc(cc1)Cl)C(O)c2ccccc2)c3ccncc3",null,"O=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccncc1","O=C(Nc1c(cc(cc1)Cl)C(O)c2ccccc2)c3ccncc3"]
[5278,"82310-91-6","NC(=O)CC(O)C(=O)O","NC(=O)CC(O)C(=O)O"]
[5279,"82558-50-7","CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1","CCC(C)(CC)c1noc(c1)NC(=O)c2c(cccc2OC)OC",null,"CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1","CCC(C)(CC)c1noc(c1)NC(=O)c2c(cccc2OC)OC",null,"CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1","CCC(C)(CC)c1noc(c1)NC(=O)c2c(cccc2OC)OC",null,"CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1","CCC(C)(CC)c1noc(c1)NC(=O)c2c(cccc2OC)OC"]
[5280,"82560-54-1","CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(C)C","CCOC(=O)CCN(SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C)C(C)C",null,"CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(C)C","CCOC(=O)CCN(SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C)C(C)C",null,"CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(C)C","CCOC(=O)CCN(SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C)C(C)C",null,"CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(C)C","CCOC(=O)CCN(SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C)C(C)C"]
[5281,"82655-81-0","CCOC(C)CCO","CCOC(C)CCO",{"$nulls":4},"CCOC(C)CCO","CCOC(C)CCO",null,"CCOC(C)CCO","CCOC(C)CCO"]
[5282,"82657-04-3","Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1","Cc1c(cccc1COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)-c3ccccc3",null,"Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1","Cc1c(cccc1COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)-c3ccccc3",null,"Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1","Cc1c(cccc1COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)-c3ccccc3",null,"Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1","Cc1c(cccc1COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)-c3ccccc3"]
[5283,"82692-44-2","Cc1ccc(C(=O)COc2c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn2C)cc1","Cc1ccc(cc1)C(=O)COc2n(nc(c2C(=O)c3c(c(c(cc3)Cl)C)Cl)C)C",null,"Cc1ccc(C(=O)COc2c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn2C)cc1","Cc1ccc(cc1)C(=O)COc2n(nc(c2C(=O)c3c(c(c(cc3)Cl)C)Cl)C)C",null,"Cc1ccc(C(=O)COc2c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn2C)cc1","Cc1ccc(cc1)C(=O)COc2n(nc(c2C(=O)c3c(c(c(cc3)Cl)C)Cl)C)C",null,"Cc1ccc(C(=O)COc2c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn2C)cc1","Cc1ccc(cc1)C(=O)COc2n(nc(c2C(=O)c3c(c(c(cc3)Cl)C)Cl)C)C"]
[5284,"82971-12-8","O=S(=O)(O)c1cscn1","O=S(=O)(O)c1ncsc1"]
[5285,"83055-99-6",{"$nulls":3},"COC(=O)c1ccccc1CS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","COC(=O)c1c(cccc1)CS(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",{"$nulls":4},"COC(=O)c1ccccc1CS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","COC(=O)c1c(cccc1)CS(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC"]
[5286,"83121-18-0","O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(F)c(Cl)c1F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(c(c(c(c2)Cl)F)Cl)F",null,"O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(F)c(Cl)c1F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(c(c(c(c2)Cl)F)Cl)F",null,"O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(F)c(Cl)c1F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(c(c(c(c2)Cl)F)Cl)F",null,"O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(F)c(Cl)c1F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(c(c(c(c2)Cl)F)Cl)F"]
[5287,"83130-01-2","CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC","CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC",null,"CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC","CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC",null,"CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC","CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC"]
[5288,"83164-33-4","O=C(Nc1ccc(F)cc1F)c1cccnc1Oc1cccc(C(F)(F)F)c1","O=C(Nc1c(cc(cc1)F)F)c2c(nccc2)Oc3cc(ccc3)C(F)(F)F",null,"O=C(Nc1ccc(F)cc1F)c1cccnc1Oc1cccc(C(F)(F)F)c1","O=C(Nc1c(cc(cc1)F)F)c2c(nccc2)Oc3cc(ccc3)C(F)(F)F",null,"O=C(Nc1ccc(F)cc1F)c1cccnc1Oc1cccc(C(F)(F)F)c1","O=C(Nc1c(cc(cc1)F)F)c2c(nccc2)Oc3cc(ccc3)C(F)(F)F",null,"O=C(Nc1ccc(F)cc1F)c1cccnc1Oc1cccc(C(F)(F)F)c1","O=C(Nc1c(cc(cc1)F)F)c2c(nccc2)Oc3cc(ccc3)C(F)(F)F"]
[5289,"83442-56-2","O=C(O)C(I)=C(Br)I","O=C(O)C(I)=C(Br)I",{"$nulls":4},"O=C(O)C(I)=C(Br)I","O=C(O)C(I)=C(Br)I",null,"O=C(O)C(I)=C(Br)I","O=C(O)C(I)=C(Br)I"]
[5290,"83572-31-0"]
[5291,"83657-17-4","CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2",null,"CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2",null,"CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2",null,"CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2"]
[5292,"83657-22-1","CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2",null,"CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2",null,"CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2",null,"CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2"]
[5293,"83657-24-3","CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1Cl)n1cncn1","CC(C)(C)C(O)C(=Cc1c(cc(cc1)Cl)Cl)n2ncnc2",null,"CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1Cl)n1cncn1","CC(C)(C)C(O)C(=Cc1c(cc(cc1)Cl)Cl)n2ncnc2",null,"CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1Cl)n1cncn1","CC(C)(C)C(O)C(=Cc1c(cc(cc1)Cl)Cl)n2ncnc2",null,"CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1Cl)n1cncn1","CC(C)(C)C(O)C(=Cc1c(cc(cc1)Cl)Cl)n2ncnc2"]
[5294,"83733-82-8","CCCC(=O)N(CSP(=S)(OC)OC)c1ccccc1Cl","CCCC(=O)N(CSP(=S)(OC)OC)c1c(cccc1)Cl",null,"CCCC(=O)N(CSP(=S)(OC)OC)c1ccccc1Cl","CCCC(=O)N(CSP(=S)(OC)OC)c1c(cccc1)Cl",{"$nulls":4},"CCCC(=O)N(CSP(=S)(OC)OC)c1ccccc1Cl","CCCC(=O)N(CSP(=S)(OC)OC)c1c(cccc1)Cl"]
[5295,"83848-59-3","O=C(O)c1ccc([N+](=O)[O-])c2cccnc12","O=C(O)c1c2c(c(cc1)[N+](=O)[O-])cccn2",{"$nulls":4},"O=C(O)c1ccc([N+](=O)[O-])c2cccnc12","O=C(O)c1c2c(c(cc1)[N+](=O)[O-])cccn2",null,"O=C(O)c1ccc([N+](=O)[O-])c2cccnc12","O=C(O)c1c2c(c(cc1)[N+](=O)[O-])cccn2"]
[5296,"83863-63-2","O=S(=O)(O)c1ccc2oc3ccccc3c2c1","O=S(=O)(O)c1cc2c(cc1)oc3c2cccc3",null,"O=S(=O)([O-])c1ccc2oc3ccccc3c2c1","O=S(=O)(O)c1cc2c(cc1)oc3c2cccc3",null,"O=S(=O)(O)c1ccc2oc3ccccc3c2c1","O=S(=O)(O)c1cc2c(cc1)oc3c2cccc3",null,"O=S(=O)(O)c1ccc2oc3ccccc3c2c1","O=S(=O)(O)c1cc2c(cc1)oc3c2cccc3"]
[5297,"83915-83-7","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N2C(CCC2)C(=O)O","O(2)","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N2C(CCC2)C(=O)O","O(2)","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N2C(CCC2)C(=O)O",null,"NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N2C(CCC2)C(=O)O","O(2)"]
[5298,"84332-86-5","CCOC(=O)C1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",null,"CCOC(=O)C1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",null,"CCOC(=O)C1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",null,"CCOC(=O)C1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C"]
[5299,"84408-37-7","Nc1ncc2ncn(COCCO)c2n1","Nc1nc2c(cn1)ncn2COCCO",null,"Nc1ncc2ncn(COCCO)c2n1","Nc1nc2c(cn1)ncn2COCCO"]
[5300,"84496-56-0","Cc1c(Cl)ccc(OC(C)C(=O)Nc2ccccc2)c1Cl","Cc1c(c(ccc1Cl)OC(C)C(=O)Nc2ccccc2)Cl",null,"Cc1c(Cl)ccc(OC(C)C(=O)Nc2ccccc2)c1Cl","Cc1c(c(ccc1Cl)OC(C)C(=O)Nc2ccccc2)Cl",null,"Cc1c(Cl)ccc(OC(C)C(O)=Nc2ccccc2)c1Cl","Cc1c(c(ccc1Cl)OC(C)C(O)=Nc2ccccc2)Cl",null,"Cc1c(Cl)ccc(OC(C)C(O)=Nc2ccccc2)c1Cl","Cc1c(c(ccc1Cl)OC(C)C(O)=Nc2ccccc2)Cl"]
[5301,"84549-06-4","CCCCCSS(=O)CCCCC","CCCCCSS(=O)CCCCC",{"$nulls":4},"CCCCCSS(=O)CCCCC","CCCCCSS(=O)CCCCC",null,"CCCCCSS(=O)CCCCC","CCCCCSS(=O)CCCCC"]
[5302,"84629-00-5","COCCCCC=O","COCCCCC=O",{"$nulls":4},"COCCCCC=O","COCCCCC=O",null,"COCCCCC=O","COCCCCC=O"]
[5303,"84659-98-3",{"$nulls":9},"O=C(O)c1cc(=O)nc(-c2ccccc2)[nH]1","O=C(O)c1[nH]c(nc(c1)=O)-c2ccccc2"]
[5304,"85262-94-8","OCc1ccc(Cl)cc1Cl","OCc1c(cc(cc1)Cl)Cl","CCC(O)=O(1)","CCC(=O)OCc1ccc(Cl)cc1Cl","CCC(=O)OCc1c(cc(cc1)Cl)Cl",null,"CCC(=O)OCc1ccc(Cl)cc1Cl","CCC(=O)OCc1c(cc(cc1)Cl)Cl",null,"CCC(=O)OCc1ccc(Cl)cc1Cl","CCC(=O)OCc1c(cc(cc1)Cl)Cl"]
[5305,"85509-19-9","C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1","C[Si](Cn1ncnc1)(c2ccc(cc2)F)c3ccc(cc3)F",null,"C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1","C[Si](Cn1ncnc1)(c2ccc(cc2)F)c3ccc(cc3)F",null,"C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1","C[Si](Cn1ncnc1)(c2ccc(cc2)F)c3ccc(cc3)F",null,"C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1","C[Si](Cn1ncnc1)(c2ccc(cc2)F)c3ccc(cc3)F"]
[5306,"85576-52-9"]
[5307,"85721-33-1","O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O","O=C(O)c1c(c2c(n(c1)C3CC3)cc(N4CCNCC4)c(F)c2)=O",null,"O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O","O=C(O)c1c(c2c(n(c1)C3CC3)cc(N4CCNCC4)c(F)c2)=O",null,"O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O","O=C(O)c1c(c2c(n(c1)C3CC3)cc(N4CCNCC4)c(F)c2)=O",null,"O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O","O=C(O)c1c(c2c(n(c1)C3CC3)cc(N4CCNCC4)c(F)c2)=O"]
[5308,"85763-15-1","CCCCCCCCCC(=O)CC(=O)C(=O)O","CCCCCCCCCC(=O)CC(=O)C(=O)O"]
[5309,"85785-20-2","CCN(C(=O)SCc1ccccc1)C(C)C(C)C","CCN(C(=O)SCc1ccccc1)C(C)C(C)C",null,"CCN(C(=O)SCc1ccccc1)C(C)C(C)C","CCN(C(=O)SCc1ccccc1)C(C)C(C)C",null,"CCN(C(=O)SCc1ccccc1)C(C)C(C)C","CCN(C(=O)SCc1ccccc1)C(C)C(C)C",null,"CCN(C(=O)SCc1ccccc1)C(C)C(C)C","CCN(C(=O)SCc1ccccc1)C(C)C(C)C"]
[5310,"86209-51-0","COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC(F)F)OC(F)F",null,"COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC(F)F)OC(F)F",null,"COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC(F)F)OC(F)F",null,"COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC(F)F)OC(F)F"]
[5311,"86479-06-3","O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)F)c(Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(c(c2)Cl)OC(F)(F)C(F)F)Cl",null,"O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)F)c(Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(c(c2)Cl)OC(F)(F)C(F)F)Cl",null,"O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)F)c(Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(c(c2)Cl)OC(F)(F)C(F)F)Cl",null,"O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)F)c(Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(c(c2)Cl)OC(F)(F)C(F)F)Cl"]
[5312,"86598-92-7","Clc1ccc(CSC(Cn2cncn2)=Nc2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)CSC(Cn2ncnc2)=Nc3c(cc(cc3)Cl)Cl",null,"Clc1ccc(CSC(Cn2cncn2)=Nc2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)CSC(Cn2ncnc2)=Nc3c(cc(cc3)Cl)Cl",null,"Clc1ccc(CSC(Cn2cncn2)=Nc2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)CSC(Cn2ncnc2)=Nc3c(cc(cc3)Cl)Cl",null,"Clc1ccc(CSC(Cn2cncn2)=Nc2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)CSC(Cn2ncnc2)=Nc3c(cc(cc3)Cl)Cl"]
[5313,"86763-47-5","CCc1cccc(C)c1N(COC(C)C)C(=O)CCl","CCc1c(c(ccc1)C)N(COC(C)C)C(=O)CCl",null,"CCc1cccc(C)c1N(COC(C)C)C(=O)CCl","CCc1c(c(ccc1)C)N(COC(C)C)C(=O)CCl",null,"CCc1cccc(C)c1N(COC(C)C)C(=O)CCl","CCc1c(c(ccc1)C)N(COC(C)C)C(=O)CCl",null,"CCc1cccc(C)c1N(COC(C)C)C(=O)CCl","CCc1c(c(ccc1)C)N(COC(C)C)C(=O)CCl"]
[5314,"86811-58-7","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)Cl)Oc3c(cc(cn3)C(F)(F)F)Cl",null,"O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)Cl)Oc3c(cc(cn3)C(F)(F)F)Cl",null,"O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)Cl)Oc3c(cc(cn3)C(F)(F)F)Cl",null,"O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)Cl)Oc3c(cc(cn3)C(F)(F)F)Cl"]
[5315,"87052-64-0"]
[5316,"87130-20-9",{"$nulls":3},"CCOc1ccc(NC(=O)OC(C)C)cc1OCC","CCOc1c(cc(cc1)NC(=O)OC(C)C)OCC",{"$nulls":4},"CCOc1ccc(NC(=O)OC(C)C)cc1OCC","CCOc1c(cc(cc1)NC(=O)OC(C)C)OCC"]
[5317,"87237-48-7","CCOCCOC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1","CCOCCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl",null,"CCOCCOC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1","CCOCCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl",null,"CCOCCOC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1","CCOCCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl",null,"CCOCCOC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1","CCOCCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl"]
[5318,"87310-56-3","CC=CCOCN(C(=O)CCl)c1c(CC)cccc1CC","CC=CCOCN(C(=O)CCl)c1c(cccc1CC)CC",null,"CC=CCOCN(C(=O)CCl)c1c(CC)cccc1CC","CC=CCOCN(C(=O)CCl)c1c(cccc1CC)CC",null,"CC=CCOCN(C(=O)CCl)c1c(CC)cccc1CC","CC=CCOCN(C(=O)CCl)c1c(cccc1CC)CC",null,"CC=CCOCN(C(=O)CCl)c1c(CC)cccc1CC","CC=CCOCN(C(=O)CCl)c1c(cccc1CC)CC"]
[5319,"87546-18-7","CCCCCOC(=O)COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl","CCCCCOC(=O)COc1c(cc(c(c1)N2C(C3=C(C2=O)CCCC3)=O)F)Cl",null,"CCCCCOC(=O)COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl","CCCCCOC(=O)COc1c(cc(c(c1)N2C(C3=C(C2=O)CCCC3)=O)F)Cl",null,"CCCCCOC(=O)COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl","CCCCCOC(=O)COc1c(cc(c(c1)N2C(C3=C(C2=O)CCCC3)=O)F)Cl",null,"CCCCCOC(=O)COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl","CCCCCOC(=O)COc1c(cc(c(c1)N2C(C3=C(C2=O)CCCC3)=O)F)Cl"]
[5320,"87674-68-8","COCC(C)N(C(=O)CCl)c1c(C)csc1C","COCC(C)N(C(=O)CCl)c1c(scc1C)C",null,"COCC(C)N(C(=O)CCl)c1c(C)csc1C","COCC(C)N(C(=O)CCl)c1c(scc1C)C",null,"COCC(C)N(C(=O)CCl)c1c(C)csc1C","COCC(C)N(C(=O)CCl)c1c(scc1C)C",null,"COCC(C)N(C(=O)CCl)c1c(C)csc1C","COCC(C)N(C(=O)CCl)c1c(scc1C)C"]
[5321,"87757-18-4","CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N1CCCO1","CC(Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl)C(=O)N3OCCC3",null,"CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N1CCCO1","CC(Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl)C(=O)N3OCCC3",null,"CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N1CCCO1","CC(Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl)C(=O)N3OCCC3",null,"CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N1CCCO1","CC(Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl)C(=O)N3OCCC3"]
[5322,"87818-31-3","Cc1ccccc1COC1CC2(C(C)C)CCC1(C)O2","Cc1c(cccc1)COC2C3(CCC(C2)(O3)C(C)C)C",null,"Cc1ccccc1COC1CC2(C(C)C)CCC1(C)O2","Cc1c(cccc1)COC2C3(CCC(C2)(O3)C(C)C)C",null,"Cc1ccccc1COC1CC2(C(C)C)CCC1(C)O2","Cc1c(cccc1)COC2C3(CCC(C2)(O3)C(C)C)C",null,"Cc1ccccc1COC1CC2(C(C)C)CCC1(C)O2","Cc1c(cccc1)COC2C3(CCC(C2)(O3)C(C)C)C"]
[5323,"87970-03-4"]
[5324,"87970-05-6","CCCC(=O)OC1C(O)C(CO)OC1n1cnc2c(N)ncnc21","CCCC(=O)OC1C(OC(C1O)CO)n2c3c(nc2)c(N)ncn3"]
[5325,"87984-85-8"]
[5326,"87989-21-7","C=C(C)C(CC(=O)O)C(=O)O","C=C(C)C(CC(=O)O)C(=O)O"]
[5327,"88333-02-2"]
[5328,"88485-37-4","FC(F)(F)C(=NOCC1OCCO1)c1ccc(Cl)cc1","FC(F)(F)C(=NOCC1OCCO1)c2ccc(cc2)Cl",null,"FC(F)(F)C(=NOCC1OCCO1)c1ccc(Cl)cc1","FC(F)(F)C(=NOCC1OCCO1)c2ccc(cc2)Cl",null,"FC(F)(F)C(=NOCC1OCCO1)c1ccc(Cl)cc1","FC(F)(F)C(=NOCC1OCCO1)c2ccc(cc2)Cl",null,"FC(F)(F)C(=NOCC1OCCO1)c1ccc(Cl)cc1","FC(F)(F)C(=NOCC1OCCO1)c2ccc(cc2)Cl"]
[5329,"88671-89-0","CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1","CCCCC(C#N)(Cn1ncnc1)c2ccc(cc2)Cl",null,"CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1","CCCCC(C#N)(Cn1ncnc1)c2ccc(cc2)Cl",null,"CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1","CCCCC(C#N)(Cn1ncnc1)c2ccc(cc2)Cl",null,"CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1","CCCCC(C#N)(Cn1ncnc1)c2ccc(cc2)Cl"]
[5330,"88678-67-5","COc1cccc(N(C)C(=S)Oc2cccc(C(C)(C)C)c2)n1","COc1nc(ccc1)N(C)C(=S)Oc2cc(ccc2)C(C)(C)C",null,"COc1cccc(N(C)C(=S)Oc2cccc(C(C)(C)C)c2)n1","COc1nc(ccc1)N(C)C(=S)Oc2cc(ccc2)C(C)(C)C",null,"COc1cccc(N(C)C(=S)Oc2cccc(C(C)(C)C)c2)n1","COc1nc(ccc1)N(C)C(=S)Oc2cc(ccc2)C(C)(C)C",null,"COc1cccc(N(C)C(=S)Oc2cccc(C(C)(C)C)c2)n1","COc1nc(ccc1)N(C)C(=S)Oc2cc(ccc2)C(C)(C)C"]
[5331,"88917-04-8","O=C(O)C(Br)=C(Cl)Br","O=C(O)C(Br)=C(Cl)Br",{"$nulls":4},"O=C(O)C(Br)=C(Cl)Br","O=C(O)C(Br)=C(Cl)Br",null,"O=C(O)C(Br)=C(Cl)Br","O=C(O)C(Br)=C(Cl)Br"]
[5332,"88917-05-9","O=C(O)C(Cl)=C(Br)Br","O=C(O)C(Cl)=C(Br)Br",{"$nulls":4},"O=C(O)C(Cl)=C(Br)Br","O=C(O)C(Cl)=C(Br)Br",null,"O=C(O)C(Cl)=C(Br)Br","O=C(O)C(Cl)=C(Br)Br"]
[5333,"88917-22-0",{"$nulls":3},"CCC(OCCCOC)OC(C)=O","CCC(OCCCOC)OC(C)=O"]
[5334,"89167-84-0","CC(O)C([N+](=O)[O-])[N+](=O)[O-]","CC(O)C([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},"CC(O)C([N+](=O)[O-])[N+](=O)[O-]","CC(O)C([N+](=O)[O-])[N+](=O)[O-]",null,"CC(O)C([N+](=O)[O-])[N+](=O)[O-]","CC(O)C([N+](=O)[O-])[N+](=O)[O-]"]
[5335,"89269-64-7","CC(=NNc1nc(C)cc(C)n1)c1ccccc1C","CC(=NNc1nc(cc(n1)C)C)c2c(cccc2)C",null,"CC(=NNc1nc(C)cc(C)n1)c1ccccc1C","CC(=NNc1nc(cc(n1)C)C)c2c(cccc2)C",null,"CC(=NNc1nc(C)cc(C)n1)c1ccccc1C","CC(=NNc1nc(cc(n1)C)C)c2c(cccc2)C",null,"CC(=NNc1nc(C)cc(C)n1)c1ccccc1C","CC(=NNc1nc(cc(n1)C)C)c2c(cccc2)C"]
[5336,"89322-91-8","NS(=O)(=O)c1ccc(O)nc1","NS(=O)(=O)c1cnc(cc1)O"]
[5337,"89395-25-5"]
[5338,"89418-24-6","Cn1c(=O)ncc2[nH]c(=O)[nH]c21","Cn1c2c(cnc1=O)[nH]c(=O)[nH]2",{"$nulls":4},"Cn1c(=O)ncc2nc(O)[nH]c21","Cn1c2c(cnc1=O)nc(O)[nH]2",null,"Cn1c(=O)ncc2nc(O)[nH]c21","Cn1c2c(cnc1=O)nc(O)[nH]2"]
[5339,"89482-17-7",{"$nulls":3},"CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2"]
[5340,"89794-65-0","CC(CCO)CCC=O","CC(CCO)CCC=O"]
[5341,"89795-86-8","Cn1cc2nccnc2nc1=O","Cn1c(nc2c(c1)nccn2)=O",{"$nulls":4},"Cn1cc2nccnc2nc1=O","Cn1c(nc2c(c1)nccn2)=O",null,"Cn1cc2nccnc2nc1=O","Cn1c(nc2c(c1)nccn2)=O"]
[5342,"89851-12-7","CCC(CC)COC(=O)NS(N)(=O)=O","CCC(CC)COC(=O)NS(N)(=O)=O"]
[5343,"89877-62-3","N#Cc1ccc2c(c1)C(=O)OC2","N#Cc1cc2c(cc1)COC2=O",{"$nulls":4},"N#Cc1ccc2c(c1)C(=O)OC2","N#Cc1cc2c(cc1)COC2=O",null,"N#Cc1ccc2c(c1)C(=O)OC2","N#Cc1cc2c(cc1)COC2=O"]
[5344,"89966-38-1",{"$nulls":9},"CCOC(=O)C(C)=CC(=O)[O-]","CCOC(=O)C(C)=CC(=O)O"]
[5345,"89979-51-1","CCS(=O)(=O)C(C)(CO)S(=O)(=O)CC","CCS(=O)(=O)C(C)(CO)S(=O)(=O)CC",{"$nulls":4},"CCS(=O)(=O)C(C)(CO)S(=O)(=O)CC","CCS(=O)(=O)C(C)(CO)S(=O)(=O)CC",null,"CCS(=O)(=O)C(C)(CO)S(=O)(=O)CC","CCS(=O)(=O)C(C)(CO)S(=O)(=O)CC"]
[5346,"89984-23-6","COc1c(O)ccc(C=O)c1N","COc1c(c(ccc1O)C=O)N",null,"COc1c(O)ccc(C=O)c1N","COc1c(c(ccc1O)C=O)N",null,"COc1c(O)ccc(C=O)c1N","COc1c(c(ccc1O)C=O)N",null,"COc1c(O)ccc(C=O)c1N","COc1c(c(ccc1O)C=O)N"]
[5347,"90072-77-8","COC(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]","COC(=O)c1c(cc(cc1)[N+](=O)[O-])C(=O)O",{"$nulls":4},"COC(=O)c1ccc([N+](=O)[O-])cc1C(=O)O","COC(=O)c1c(cc(cc1)[N+](=O)[O-])C(=O)O",null,"COC(=O)c1ccc([N+](=O)[O-])cc1C(=O)O","COC(=O)c1c(cc(cc1)[N+](=O)[O-])C(=O)O"]
[5348,"90114-01-5","CCC(SSC(CC)C(=O)O)C(=O)O","CCC(SSC(CC)C(=O)O)C(=O)O"]
[5349,"90201-13-1","CC(C)CCC(C)C(=O)O","CC(C)CCC(C)C(=O)O"]
[5350,"90243-80-4","N#CCCNC(CCC(=O)O)C(=O)O","N#CCCNC(CCC(=O)O)C(=O)O",{"$nulls":4},"N#CCCNC(CCC(=O)O)C(=O)O","N#CCCNC(CCC(=O)O)C(=O)O",null,"N#CCCNC(CCC(=O)O)C(=O)O","N#CCCNC(CCC(=O)O)C(=O)O"]
[5351,"90324-88-2","CCCCOC(=O)NS(N)(=O)=O","CCCCOC(=O)NS(N)(=O)=O"]
[5352,"90414-69-0",{"$nulls":6},"CC1(O)CCC(C)(O)CC1","CC1(CCC(CC1)(C)O)O",null,"CC1(O)CCC(C)(O)CC1","CC1(CCC(CC1)(C)O)O"]
[5353,"90438-06-5","CCC1(CC(C)=O)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)CC(C)=O",{"$nulls":4},"CCC1(CC(C)=O)C(O)=NC(=O)N=C1O","CCC1(C(=NC(N=C1O)=O)O)CC(C)=O",null,"CCC1(CC(C)=O)C(O)=NC(=O)N=C1O","CCC1(C(=NC(N=C1O)=O)O)CC(C)=O"]
[5354,"90677-53-5","CCCCCCC(O)C(O)C(=O)O","CCCCCCC(O)C(O)C(=O)O",{"$nulls":4},"CCCCCCC(O)C(O)C(=O)O","CCCCCCC(O)C(O)C(=O)O",null,"CCCCCCC(O)C(O)C(=O)O","CCCCCCC(O)C(O)C(=O)O"]
[5355,"90717-03-6","Cc1cnc2c(C(=O)O)c(Cl)ccc2c1","Cc1cc2c(nc1)c(C(=O)O)c(Cl)cc2",null,"Cc1cnc2c(C(=O)O)c(Cl)ccc2c1","Cc1cc2c(nc1)c(C(=O)O)c(Cl)cc2",null,"Cc1cnc2c(C(=O)O)c(Cl)ccc2c1","Cc1cc2c(nc1)c(C(=O)O)c(Cl)cc2",null,"Cc1cnc2c(C(=O)O)c(Cl)ccc2c1","Cc1cc2c(nc1)c(C(=O)O)c(Cl)cc2"]
[5356,"90728-91-9","CCC(CC)(C(=O)NC)C(=O)NC","CCC(CC)(C(=O)NC)C(=O)NC"]
[5357,"90770-17-5","CCC(C)C(NCCC#N)C(=O)O","CCC(C)C(NCCC#N)C(=O)O"]
[5358,"90796-83-1","CCCCC(CC)COC(=O)NS(N)(=O)=O","CCCCC(CC)COC(=O)NS(N)(=O)=O"]
[5359,"90841-50-2"]
[5360,"90870-76-1","CCc1nc2cnc(O)nc2nc1CC","CCc1c(nc2c(n1)cnc(O)n2)CC",{"$nulls":4},"CCc1nc2cnc(=O)[nH]c2nc1CC","CCc1c(nc2c(n1)cnc(=O)[nH]2)CC",null,"CCc1nc2cnc(=O)[nH]c2nc1CC","CCc1c(nc2c(n1)cnc(=O)[nH]2)CC"]
[5361,"91007-35-1","CC(C)(OC1CCCCC1)C(=O)O","CC(C)(OC1CCCCC1)C(=O)O",null,"CC(C)(OC1CCCCC1)C(=O)O","CC(C)(OC1CCCCC1)C(=O)O",null,"CC(C)(OC1CCCCC1)C(=O)O","CC(C)(OC1CCCCC1)C(=O)O",null,"CC(C)(OC1CCCCC1)C(=O)O","CC(C)(OC1CCCCC1)C(=O)O"]
[5362,"91061-49-3","COC(CC(=O)O)c1ccccc1","COC(CC(=O)O)c1ccccc1"]
[5363,"91114-65-7","CC(Br)C(C)(Br)C(=O)O","CC(Br)C(C)(Br)C(=O)O"]
[5364,"91133-69-6","CC(CC(=O)O)C(=O)Nc1ccccc1","CC(CC(=O)O)C(=O)Nc1ccccc1"]
[5365,"91330-81-3"]
[5366,"91499-08-0","CN(C)C(O)=S","CN(C)C(O)=S","CC(O)C(O)=O(1)"]
[5367,"91569-89-0","O=C1CC(c2ccccc2)CC(=O)C1[N+](=O)[O-]","O=C1C(C(CC(C1)c2ccccc2)=O)[N+](=O)[O-]",{"$nulls":4},"O=C1CC(c2ccccc2)CC(=O)C1[N+](=O)[O-]","O=C1C(C(CC(C1)c2ccccc2)=O)[N+](=O)[O-]",null,"O=C1CC(c2ccccc2)CC(=O)C1[N+](=O)[O-]","O=C1C(C(CC(C1)c2ccccc2)=O)[N+](=O)[O-]"]
[5368,"91732-73-9","O=C(Nc1ccccc1)C(O)(O)C(=O)Nc1ccccc1","O=C(Nc1ccccc1)C(O)(O)C(=O)Nc2ccccc2"]
[5369,"91761-25-0","CC=CCC1(C)C(=O)NC(=O)N(C)C1=O","CC=CCC1(C(N(C(NC1=O)=O)C)=O)C",{"$nulls":4},"CC=CCC1(C)C(=O)N(C)C(=O)N=C1O","CC=CCC1(C(=NC(N(C1=O)C)=O)O)C",null,"CC=CCC1(C)C(=O)N(C)C(=O)N=C1O","CC=CCC1(C(=NC(N(C1=O)C)=O)O)C"]
[5370,"91890-87-8","C=CC(O)C(=O)OCC","C=CC(O)C(=O)OCC",{"$nulls":4},"C=CC(O)C(=O)OCC","C=CC(O)C(=O)OCC",null,"C=CC(O)C(=O)OCC","C=CC(O)C(=O)OCC"]
[5371,"92038-29-4","CC1CCCC(OC2CCCC(C)O2)O1","CC1OC(CCC1)OC2OC(CCC2)C"]
[5372,"92059-15-9","CCCCNC(=N)NS(=O)(=O)c1ccc(N)cc1","CCCCNC(=N)NS(=O)(=O)c1ccc(cc1)N"]
[5373,"92150-32-8"]
[5374,"92347-84-7","CCCOP(=O)(OC)OCCC","CCCOP(=O)(OC)OCCC",{"$nulls":4},"CCCOP(=O)(OC)OCCC","CCCOP(=O)(OC)OCCC",null,"CCCOP(=O)(OC)OCCC","CCCOP(=O)(OC)OCCC"]
[5375,"92371-84-1"]
[5376,"92402-78-3","CC(C)C(NCCC(=O)O)C(=O)O","CC(C)C(NCCC(=O)O)C(=O)O"]
[5377,"92474-94-7",{"$nulls":3},"Cn1cnc2c(=O)n(C)c(=O)n(C)c2c1=O","Cn1c(c2c(nc1)c(=O)n(C)c(=O)n2C)=O",{"$nulls":4},"Cn1cnc2c(=O)n(C)c(=O)n(C)c2c1=O","Cn1c(c2c(nc1)c(=O)n(C)c(=O)n2C)=O"]
[5378,"92695-66-4"]
[5379,"92740-48-2",{"$nulls":3},"O=C([O-])CNS(=O)(=O)c1ccc2ccccc2c1","O=C(O)CNS(=O)(=O)c1cc2c(cc1)cccc2"]
[5380,"92776-66-4"]
[5381,"92876-74-9","O=C1N=C2C(=O)NC(=O)N=C2C(=O)N1","O=C1NC(C=2C(=N1)C(=O)NC(=O)N2)=O"]
[5382,"93037-15-1","CCCCc1c2ccccc2cc2ccc3ccccc3c12","CCCCc1c2c(cc3c1cccc3)ccc4c2cccc4",{"$nulls":4},"CCCCc1c2ccccc2cc2ccc3ccccc3c12","CCCCc1c2c(cc3c1cccc3)ccc4c2cccc4",null,"CCCCc1c2ccccc2cc2ccc3ccccc3c12","CCCCc1c2c(cc3c1cccc3)ccc4c2cccc4"]
[5383,"93146-89-5","CCC(Br)(Br)C(=O)O","CCC(Br)(Br)C(=O)O",{"$nulls":4},"CCC(Br)(Br)C(=O)O","CCC(Br)(Br)C(=O)O",null,"CCC(Br)(Br)C(=O)O","CCC(Br)(Br)C(=O)O"]
[5384,"93506-59-3","O=C1N=C2C(=O)NC(=O)N=C2C(=O)N1","O=C1NC(C=2C(=N1)C(=O)NC(=O)N2)=O"]
[5385,"93697-74-6","CCOC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCOC(=O)c1c(n(nc1)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",null,"CCOC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCOC(=O)c1c(n(nc1)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",null,"CCOC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCOC(=O)c1c(n(nc1)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",null,"CCOC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCOC(=O)c1c(n(nc1)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC"]
[5386,"93886-70-5","O=C(O)CNC(=O)CNS(=O)(=O)c1ccc2ccccc2c1","O=C(O)CNC(=O)CNS(=O)(=O)c1cc2c(cc1)cccc2",{"$nulls":4},"O=C(O)CN=C(O)CNS(=O)(=O)c1ccc2ccccc2c1","O=C(O)CN=C(O)CNS(=O)(=O)c1cc2c(cc1)cccc2",null,"O=C(O)CN=C(O)CNS(=O)(=O)c1ccc2ccccc2c1","O=C(O)CN=C(O)CNS(=O)(=O)c1cc2c(cc1)cccc2"]
[5387,"94361-06-5","CC(C1CC1)C(O)(Cn1cncn1)c1ccc(Cl)cc1","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl",null,"CC(C1CC1)C(O)(Cn1cncn1)c1ccc(Cl)cc1","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl",null,"CC(C1CC1)C(O)(Cn1cncn1)c1ccc(Cl)cc1","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl",null,"CC(C1CC1)C(O)(Cn1cncn1)c1ccc(Cl)cc1","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl"]
[5388,"94361-07-6","CC(C1CC1)C(O)(Cn1cncn1)c1ccc(Cl)cc1","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl",{"$nulls":4},"CC(C1CC1)C(O)(Cn1cncn1)c1ccc(Cl)cc1","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl",null,"CC(C1CC1)C(O)(Cn1cncn1)c1ccc(Cl)cc1","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl"]
[5389,"94591-19-2"]
[5390,"94593-91-6","COCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC)nc(OC)n1","COCCOc1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OC)OC",null,"COCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC)nc(OC)n1","COCCOc1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OC)OC",null,"COCCOc1ccccc1S(=O)(=O)N=C(O)N=c1nc(OC)[nH]c(OC)n1","COCCOc1c(cccc1)S(=O)(=O)N=C(O)N=c2nc([nH]c(n2)OC)OC",null,"COCCOc1ccccc1S(=O)(=O)N=C(O)N=c1nc(OC)[nH]c(OC)n1","COCCOc1c(cccc1)S(=O)(=O)N=C(O)N=c2nc([nH]c(n2)OC)OC"]
[5391,"94617-43-3","NS(=O)(=O)c1cccc(C(=O)O)c1C(=O)O","NS(=O)(=O)c1c(c(ccc1)C(=O)O)C(=O)O"]
[5392,"94626-92-3"]
[5393,"95465-99-9","CCOP(=O)(SC(C)CC)SC(C)CC","CCOP(=O)(SC(C)CC)SC(C)CC",null,"CCOP(=O)(SC(C)CC)SC(C)CC","CCOP(=O)(SC(C)CC)SC(C)CC",null,"CCOP(=O)(SC(C)CC)SC(C)CC","CCOP(=O)(SC(C)CC)SC(C)CC",null,"CCOP(=O)(SC(C)CC)SC(C)CC","CCOP(=O)(SC(C)CC)SC(C)CC"]
[5394,"95470-42-1",{"$nulls":9},"CCOC(=O)C1N=C(Br)N=C1C","CCOC(=O)C1C(=NC(=N1)Br)C"]
[5395,"95832-60-3","O=C(O)COC1CCCC1","O=C(O)COC1CCCC1",{"$nulls":7},"O=C(O)COC1CCCC1","O=C(O)COC1CCCC1"]
[5396,"95948-65-5"]
[5397,"96182-53-5","CCOP(=S)(Oc1cnc(C(C)(C)C)nc1)OC(C)C","CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C",null,"CCOP(=S)(Oc1cnc(C(C)(C)C)nc1)OC(C)C","CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C",null,"CCOP(=S)(Oc1cnc(C(C)(C)C)nc1)OC(C)C","CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C",null,"CCOP(=S)(Oc1cnc(C(C)(C)C)nc1)OC(C)C","CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C"]
[5398,"96435-08-4"]
[5399,"96448-60-1"]
[5400,"96448-61-2"]
[5401,"96448-63-4"]
[5402,"96474-05-4"]
[5403,"96489-71-3","CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cc1","CC(C)(C)c1ccc(cc1)CSc2c(c(n(nc2)C(C)(C)C)=O)Cl",null,"CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cc1","CC(C)(C)c1ccc(cc1)CSc2c(c(n(nc2)C(C)(C)C)=O)Cl",null,"CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cc1","CC(C)(C)c1ccc(cc1)CSc2c(c(n(nc2)C(C)(C)C)=O)Cl",null,"CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cc1","CC(C)(C)c1ccc(cc1)CSc2c(c(n(nc2)C(C)(C)C)=O)Cl"]
[5404,"96491-05-3","COc1ccsc1CN(C(=O)CCl)c1c(C)cccc1C","COc1c(scc1)CN(C(=O)CCl)c2c(cccc2C)C",null,"COc1ccsc1CN(C(=O)CCl)c1c(C)cccc1C","COc1c(scc1)CN(C(=O)CCl)c2c(cccc2C)C",null,"COc1ccsc1CN(C(=O)CCl)c1c(C)cccc1C","COc1c(scc1)CN(C(=O)CCl)c2c(cccc2C)C",null,"COc1ccsc1CN(C(=O)CCl)c1c(C)cccc1C","COc1c(scc1)CN(C(=O)CCl)c2c(cccc2C)C"]
[5405,"96525-23-4","CNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)O1","CNC=1OC(C(C1c2cc(ccc2)C(F)(F)F)=O)c3ccccc3",null,"CNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)O1","CNC=1OC(C(C1c2cc(ccc2)C(F)(F)F)=O)c3ccccc3",null,"CNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)O1","CNC=1OC(C(C1c2cc(ccc2)C(F)(F)F)=O)c3ccccc3",null,"CNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)O1","CNC=1OC(C(C1c2cc(ccc2)C(F)(F)F)=O)c3ccccc3"]
[5406,"96945-44-7","CCCCCCCCCCCCCCNC(=O)C(C)O","CCCCCCCCCCCCCCNC(=O)C(C)O",{"$nulls":4},"CCCCCCCCCCCCCCN=C(O)C(C)O","CCCCCCCCCCCCCCN=C(O)C(C)O",null,"CCCCCCCCCCCCCCN=C(O)C(C)O","CCCCCCCCCCCCCCN=C(O)C(C)O"]
[5407,"97383-42-1",{"$nulls":3},"COC(=O)C1(S(=O)(=O)c2ccccc2)CC1","COC(=O)C1(CC1)S(=O)(=O)c2ccccc2",{"$nulls":4},"COC(=O)C1(S(=O)(=O)c2ccccc2)CC1","COC(=O)C1(CC1)S(=O)(=O)c2ccccc2"]
[5408,"97454-00-7",{"$nulls":3},"C=CCNC(=O)CN(CC=C)C(=O)C(Cl)Cl","C=CCNC(=O)CN(CC=C)C(=O)C(Cl)Cl",{"$nulls":4},"C=CCNC(=O)CN(CC=C)C(=O)C(Cl)Cl","C=CCNC(=O)CN(CC=C)C(=O)C(Cl)Cl"]
[5409,"97780-06-8","CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1","CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC",null,"CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1","CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC",null,"CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1","CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC",null,"CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1","CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC"]
[5410,"97855-56-6","CC(=O)CC1=NCCS1","CC(=O)CC=1SCCN1",{"$nulls":4},"CC(=O)CC1=NCCS1","CC(=O)CC=1SCCN1",null,"CC(=O)CC1=NCCS1","CC(=O)CC=1SCCN1"]
[5411,"97886-45-8","CSC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C","CSC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C(=O)SC)CC(C)C",null,"CSC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C","CSC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C(=O)SC)CC(C)C",null,"CSC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C","CSC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C(=O)SC)CC(C)C"]
[5412,"98022-43-6","COc1nsc(N)n1","COc1nc(sn1)N",{"$nulls":4},"COc1nsc(N)n1","COc1nc(sn1)N",null,"COc1nsc(N)n1","COc1nc(sn1)N"]
[5413,"98022-62-9","CCOc1nsc(N)n1","CCOc1nc(sn1)N",{"$nulls":4},"CCOc1nc(=N)s[nH]1","CCOc1[nH]sc(n1)=N",null,"CCOc1nc(=N)s[nH]1","CCOc1[nH]sc(n1)=N"]
[5414,"98025-96-8","CCS[Hg]CC","CCS[Hg]CC"]
[5415,"98070-12-3","CC(=O)OCC(S)CS","CC(=O)OCC(S)CS",{"$nulls":4},"CC(=O)OCC(S)CS","CC(=O)OCC(S)CS",null,"CC(=O)OCC(S)CS","CC(=O)OCC(S)CS"]
[5416,"98137-88-3","O=S(=O)(O)c1c(Br)c(Br)c(Br)c(Br)c1Br","O=S(=O)(O)c1c(c(c(c(c1Br)Br)Br)Br)Br"]
[5417,"98197-51-4","C=CCNc1ncnc(N)n1","C=CCNc1nc(ncn1)N"]
[5418,"98335-22-9","CN1C(=O)NCc2c1ncn2C","CN1c2c(CNC1=O)n(cn2)C"]
[5419,"98552-24-0","CC=C(CCCC)C(N)=O","CC=C(CCCC)C(N)=O",{"$nulls":4},"CC=C(CCCC)C(=N)O","CC=C(CCCC)C(=N)O",null,"CC=C(CCCC)C(=N)O","CC=C(CCCC)C(=N)O"]
[5420,"98590-07-9","O=C(Nc1ncccn1)c1cnccn1","O=C(Nc1ncccn1)c2nccnc2"]
[5421,"98730-04-2","CC1COc2ccccc2N1C(=O)C(Cl)Cl","CC1N(c2c(OC1)cccc2)C(=O)C(Cl)Cl",null,"CC1COc2ccccc2N1C(=O)C(Cl)Cl","CC1N(c2c(OC1)cccc2)C(=O)C(Cl)Cl",null,"CC1COc2ccccc2N1C(=O)C(Cl)Cl","CC1N(c2c(OC1)cccc2)C(=O)C(Cl)Cl",null,"CC1COc2ccccc2N1C(=O)C(Cl)Cl","CC1N(c2c(OC1)cccc2)C(=O)C(Cl)Cl"]
[5422,"98801-82-2"]
[5423,"98827-16-8"]
[5424,"98827-17-9"]
[5425,"98827-18-0",{"$nulls":6},"CC(C)(C)C(=O)OCn1ncc2c(O)ncnc21","CC(C)(C)C(=O)OCn1c2c(cn1)c(O)ncn2",null,"CC(C)(C)C(=O)OCn1ncc2c(O)ncnc21","CC(C)(C)C(=O)OCn1c2c(cn1)c(O)ncn2"]
[5426,"98827-19-1"]
[5427,"98827-20-4"]
[5428,"98827-27-1",{"$nulls":6},"CCN(CC)C(=O)CCC(=O)OCn1ncc2c(O)ncnc21","CCN(CC)C(=O)CCC(=O)OCn1c2c(cn1)c(O)ncn2",null,"CCN(CC)C(=O)CCC(=O)OCn1ncc2c(O)ncnc21","CCN(CC)C(=O)CCC(=O)OCn1c2c(cn1)c(O)ncn2"]
[5429,"98841-58-8","CCCCCCCCCOC(=O)c1cccnc1","CCCCCCCCCOC(=O)c1cnccc1",{"$nulls":4},"CCCCCCCCCOC(=O)c1cccnc1","CCCCCCCCCOC(=O)c1cnccc1",null,"CCCCCCCCCOC(=O)c1cccnc1","CCCCCCCCCOC(=O)c1cnccc1"]
[5430,"98846-64-1",{"$nulls":6},"CC(=O)OCn1ncc2c(O)ncnc21","CC(=O)OCn1c2c(cn1)c(O)ncn2",null,"CC(=O)OCn1ncc2c(O)ncnc21","CC(=O)OCn1c2c(cn1)c(O)ncn2"]
[5431,"98846-65-2",{"$nulls":6},"O=C(OCn1ncc2c(O)ncnc21)c1ccccc1","O=C(OCn1c2c(cn1)c(O)ncn2)c3ccccc3",null,"O=C(OCn1ncc2c(O)ncnc21)c1ccccc1","O=C(OCn1c2c(cn1)c(O)ncn2)c3ccccc3"]
[5432,"98846-66-3",{"$nulls":6},"O=C(OCn1ncc2c(O)ncnc21)c1cccnc1","O=C(OCn1c2c(cn1)c(O)ncn2)c3cnccc3",null,"O=C(OCn1ncc2c(O)ncnc21)c1cccnc1","O=C(OCn1c2c(cn1)c(O)ncn2)c3cnccc3"]
[5433,"98886-44-3","CCOP(=O)(SC(C)CC)N1CCSC1=O","CCOP(=O)(SC(C)CC)N1C(SCC1)=O",null,"CCOP(=O)(SC(C)CC)N1CCSC1=O","CCOP(=O)(SC(C)CC)N1C(SCC1)=O",null,"CCOP(=O)(SC(C)CC)N1CCSC1=O","CCOP(=O)(SC(C)CC)N1C(SCC1)=O",null,"CCOP(=O)(SC(C)CC)N1CCSC1=O","CCOP(=O)(SC(C)CC)N1C(SCC1)=O"]
[5434,"98967-40-9","Cc1ccn2nc(S(=O)(=O)Nc3c(F)cccc3F)nc2n1","Cc1nc2n(cc1)nc(S(=O)(=O)Nc3c(cccc3F)F)n2",null,"Cc1ccn2nc(S(=O)(=O)Nc3c(F)cccc3F)nc2n1","Cc1nc2n(cc1)nc(S(=O)(=O)Nc3c(cccc3F)F)n2",null,"Cc1ccn2nc(S(=O)(=O)Nc3c(F)cccc3F)nc2n1","Cc1nc2n(cc1)nc(S(=O)(=O)Nc3c(cccc3F)F)n2",null,"Cc1ccn2nc(S(=O)(=O)Nc3c(F)cccc3F)nc2n1","Cc1nc2n(cc1)nc(S(=O)(=O)Nc3c(cccc3F)F)n2"]
[5435,"99057-45-1","Cc1ccnc(NC(=O)c2cnccn2)n1","Cc1nc(ncc1)NC(=O)c2nccnc2"]
[5436,"99105-77-8",{"$nulls":3},"CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1","CS(=O)(=O)c1cc(c(cc1)C(=O)C2C(CCCC2=O)=O)Cl",{"$nulls":4},"CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1","CS(=O)(=O)c1cc(c(cc1)C(=O)C2C(CCCC2=O)=O)Cl"]
[5437,"99185-20-3","CC1(C)OC(=O)c2cc([N+](=O)[O-])ccc21","CC1(c2c(C(O1)=O)cc([N+](=O)[O-])cc2)C",{"$nulls":4},"CC1(C)OC(=O)c2cc([N+](=O)[O-])ccc21","CC1(c2c(C(O1)=O)cc([N+](=O)[O-])cc2)C",null,"CC1(C)OC(=O)c2cc([N+](=O)[O-])ccc21","CC1(c2c(C(O1)=O)cc([N+](=O)[O-])cc2)C"]
[5438,"99185-21-4","CCC1OC(=O)c2cc([N+](=O)[O-])ccc21","CCC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2",{"$nulls":4},"CCC1OC(=O)c2cc([N+](=O)[O-])ccc21","CCC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2",null,"CCC1OC(=O)c2cc([N+](=O)[O-])ccc21","CCC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2"]
[5439,"99506-67-9","CC(O)C(C)C=O","CC(O)C(C)C=O",{"$nulls":4},"CC(O)C(C)C=O","CC(O)C(C)C=O",null,"CC(O)C(C)C=O","CC(O)C(C)C=O"]
[5440,"99512-70-6","Cc1ncnc2c(O)cccc12","Cc1c2c(ncn1)c(O)ccc2",{"$nulls":4},"Cc1ncnc2c(O)cccc12","Cc1c2c(ncn1)c(O)ccc2",null,"Cc1ncnc2c(O)cccc12","Cc1c2c(ncn1)c(O)ccc2"]
[5441,"99584-31-3","Cc1nc2cncnc2n(C)c1=O","Cc1c(n(c2c(n1)cncn2)C)=O",{"$nulls":4},"Cc1nc2cncnc2n(C)c1=O","Cc1c(n(c2c(n1)cncn2)C)=O",null,"Cc1nc2cncnc2n(C)c1=O","Cc1c(n(c2c(n1)cncn2)C)=O"]
[5442,"99607-70-2","CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12","CCCCCC(C)OC(=O)COc1c2c(c(cc1)Cl)cccn2",null,"CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12","CCCCCC(C)OC(=O)COc1c2c(c(cc1)Cl)cccn2",null,"CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12","CCCCCC(C)OC(=O)COc1c2c(c(cc1)Cl)cccn2",null,"CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12","CCCCCC(C)OC(=O)COc1c2c(c(cc1)Cl)cccn2"]
[5443,"99669-83-7","NC(=O)C1CCCC(C(N)=O)N1","NC(=O)C1NC(CCC1)C(N)=O",{"$nulls":4},"N=C(O)C1CCCC(C(=N)O)N1","N=C(O)C1NC(CCC1)C(=N)O",null,"N=C(O)C1CCCC(C(=N)O)N1","N=C(O)C1NC(CCC1)C(=N)O"]
[5444,"99991-56-7","CCC(C)(C)C1CCC(=NO)C(=NO)C1","CCC(C)(C)C1CC(C(CC1)=NO)=NO",{"$nulls":4},"CCC(C)(C)C1CCC(=NO)C(=NO)C1","CCC(C)(C)C1CC(C(CC1)=NO)=NO",null,"CCC(C)(C)C1CCC(=NO)C(=NO)C1","CCC(C)(C)C1CC(C(CC1)=NO)=NO"]
[5445,"100053-24-5"]
[5446,"100060-07-9","CCCc1ncnc2c(O)cccc12","CCCc1c2c(ncn1)c(O)ccc2",{"$nulls":4},"CCCc1ncnc2c(O)cccc12","CCCc1c2c(ncn1)c(O)ccc2",null,"CCCc1ncnc2c(O)cccc12","CCCc1c2c(ncn1)c(O)ccc2"]
[5447,"100128-07-2"]
[5448,"100393-41-7",{"$nulls":3},"[NH3+]C(CC(=O)[O-])c1cccc2ccccc12","NC(CC(=O)O)c1c2c(ccc1)cccc2",{"$nulls":4},"NC(CC(=O)O)c1cccc2ccccc12","NC(CC(=O)O)c1c2c(ccc1)cccc2"]
[5449,"100618-60-8","CCCCCCCOC(=O)c1cccnc1","CCCCCCCOC(=O)c1cnccc1",{"$nulls":4},"CCCCCCCOC(=O)c1cccnc1","CCCCCCCOC(=O)c1cnccc1",null,"CCCCCCCOC(=O)c1cccnc1","CCCCCCCOC(=O)c1cnccc1"]
[5450,"100646-51-3","CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",null,"CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",null,"CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3"]
[5451,"100784-20-1","COC(=O)c1c(Cl)nn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","COC(=O)c1c(n(nc1Cl)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",null,"COC(=O)c1c(Cl)nn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","COC(=O)c1c(n(nc1Cl)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",null,"COC(=O)c1c(Cl)nn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","COC(=O)c1c(n(nc1Cl)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",null,"COC(=O)c1c(Cl)nn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","COC(=O)c1c(n(nc1Cl)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC"]
[5452,"100795-24-2","CCOc1ccc(NC(C)=O)c2cccnc12","CCOc1c2c(c(cc1)NC(C)=O)cccn2",{"$nulls":4},"CCOc1ccc(N=C(C)O)c2cccnc12","CCOc1c2c(c(cc1)N=C(C)O)cccn2",null,"CCOc1ccc(N=C(C)O)c2cccnc12","CCOc1c2c(c(cc1)N=C(C)O)cccn2"]
[5453,"100879-19-4"]
[5454,"100888-67-3","CCCCOP(=O)(OCCCC)OCCCCOCC","CCCCOP(=O)(OCCCC)OCCCCOCC",{"$nulls":4},"CCCCOP(=O)(OCCCC)OCCCCOCC","CCCCOP(=O)(OCCCC)OCCCCOCC",null,"CCCCOP(=O)(OCCCC)OCCCCOCC","CCCCOP(=O)(OCCCC)OCCCCOCC"]
[5455,"100911-61-3","CCC(S(=O)(=O)CC)S(=O)(=O)CC","CCC(S(=O)(=O)CC)S(=O)(=O)CC"]
[5456,"101007-06-1","CC1(C)C(C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",null,"CC1(C)C(C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",null,"CC1(C)C(C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C"]
[5457,"101116-23-8"]
[5458,"101200-48-0","COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)N(C)c2nc(nc(n2)C)OC",null,"COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)N(C)c2nc(nc(n2)C)OC",null,"COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)N(C)c2nc(nc(n2)C)OC",null,"COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)N(C)c2nc(nc(n2)C)OC"]
[5459,"101205-02-1",{"$nulls":6},"CCCC(=NOCC)C1=C(O)CC(C2CCCSC2)CC1=O","CCCC(=NOCC)C=1C(CC(CC1O)C2CSCCC2)=O",null,"CCCC(=NOCC)C1=C(O)CC(C2CCCSC2)CC1=O","CCCC(=NOCC)C=1C(CC(CC1O)C2CSCCC2)=O"]
[5460,"101256-97-7","O=C(O)C(Cl)(Cl)CCCl","O=C(O)C(Cl)(Cl)CCCl",{"$nulls":4},"O=C(O)C(Cl)(Cl)CCCl","O=C(O)C(Cl)(Cl)CCCl",null,"O=C(O)C(Cl)(Cl)CCCl","O=C(O)C(Cl)(Cl)CCCl"]
[5461,"101433-80-1"]
[5462,"101443-32-7"]
[5463,"101463-69-8","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(cc(cc2)Oc3c(cc(cc3)C(F)(F)F)Cl)F",null,"O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(cc(cc2)Oc3c(cc(cc3)C(F)(F)F)Cl)F",null,"O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(cc(cc2)Oc3c(cc(cc3)C(F)(F)F)Cl)F",null,"O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(cc(cc2)Oc3c(cc(cc3)C(F)(F)F)Cl)F"]
[5464,"101586-90-7"]
[5465,"101714-14-1","COC(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]","COC(=O)c1c(ccc(c1)[N+](=O)[O-])C(=O)O",{"$nulls":4},"COC(=O)c1cc([N+](=O)[O-])ccc1C(=O)O","COC(=O)c1c(ccc(c1)[N+](=O)[O-])C(=O)O",null,"COC(=O)c1cc([N+](=O)[O-])ccc1C(=O)O","COC(=O)c1c(ccc(c1)[N+](=O)[O-])C(=O)O"]
[5466,"101774-91-8","O=C(O)n1cnc2c1CNCN2","O=C(O)n1c2c(nc1)NCNC2"]
[5467,"101791-68-8","NCCCCCCNCCCCCCCCCCC(=O)O","NCCCCCCNCCCCCCCCCCC(=O)O",{"$nulls":4},"NCCCCCCNCCCCCCCCCCC(=O)O","NCCCCCCNCCCCCCCCCCC(=O)O",null,"NCCCCCCNCCCCCCCCCCC(=O)O","NCCCCCCNCCCCCCCCCCC(=O)O"]
[5468,"101881-19-0","CCCCCCCCCCCCN1CC(C(=O)OC)CC1=O","CCCCCCCCCCCCN1C(CC(C1)C(=O)OC)=O",{"$nulls":4},"CCCCCCCCCCCCN1CC(C(=O)OC)CC1=O","CCCCCCCCCCCCN1C(CC(C1)C(=O)OC)=O",null,"CCCCCCCCCCCCN1CC(C(=O)OC)CC1=O","CCCCCCCCCCCCN1C(CC(C1)C(=O)OC)=O"]
[5469,"101903-30-4","C=CCCCOC(=O)C(CC)N(Cc1ccco1)C(=O)n1ccnc1","C=CCCCOC(=O)C(CC)N(Cc1occc1)C(=O)n2cncc2",null,"C=CCCCOC(=O)C(CC)N(Cc1ccco1)C(=O)n1ccnc1","C=CCCCOC(=O)C(CC)N(Cc1occc1)C(=O)n2cncc2",null,"C=CCCCOC(=O)C(CC)N(Cc1ccco1)C(=O)n1ccnc1","C=CCCCOC(=O)C(CC)N(Cc1occc1)C(=O)n2cncc2",null,"C=CCCCOC(=O)C(CC)N(Cc1ccco1)C(=O)n1ccnc1","C=CCCCOC(=O)C(CC)N(Cc1occc1)C(=O)n2cncc2"]
[5470,"101919-82-8"]
[5471,"102169-81-3","Cn1c(=O)cnc2cncnc21","Cn1c2c(ncc1=O)cncn2",{"$nulls":4},"Cn1c(=O)cnc2cncnc21","Cn1c2c(ncc1=O)cncn2",null,"Cn1c(=O)cnc2cncnc21","Cn1c2c(ncc1=O)cncn2"]
[5472,"102170-44-5","COc1ncc2nccnc2n1","COc1nc2c(cn1)nccn2",{"$nulls":4},"COc1ncc2nccnc2n1","COc1nc2c(cn1)nccn2",null,"COc1ncc2nccnc2n1","COc1nc2c(cn1)nccn2"]
[5473,"102170-45-6","Cn1c(=O)ncc2nccnc21","Cn1c2c(cnc1=O)nccn2",{"$nulls":4},"Cn1c(=O)ncc2nccnc21","Cn1c2c(cnc1=O)nccn2",null,"Cn1c(=O)ncc2nccnc21","Cn1c2c(cnc1=O)nccn2"]
[5474,"102450-10-2","CCC(CCC(C)C)C(N)=O","CCC(CCC(C)C)C(N)=O",null,"CCC(CCC(C)C)C(N)=O","CCC(CCC(C)C)C(N)=O"]
[5475,"102613-33-2","CC=C(CCCC)C(=O)NC(N)=O","CC=C(CCCC)C(=O)NC(N)=O",null,"CC=C(CCCC)C(=O)NC(N)=O","CC=C(CCCC)C(=O)NC(N)=O",null,"CC=C(CCCC)C(O)=NC(=N)O","CC=C(CCCC)C(O)=NC(=N)O",null,"CC=C(CCCC)C(O)=NC(=N)O","CC=C(CCCC)C(O)=NC(=N)O"]
[5476,"102671-05-6","COC(C)C(C)Cl","COC(C)C(C)Cl",{"$nulls":4},"COC(C)C(C)Cl","COC(C)C(C)Cl",null,"COC(C)C(C)Cl","COC(C)C(C)Cl"]
[5477,"102877-24-7","COc1cc(Br)c2c(c1OC)C(=O)OC2","COc1c(c2c(c(c1)Br)COC2=O)OC",{"$nulls":4},"COc1cc(Br)c2c(c1OC)C(=O)OC2","COc1c(c2c(c(c1)Br)COC2=O)OC",null,"COc1cc(Br)c2c(c1OC)C(=O)OC2","COc1c(c2c(c(c1)Br)COC2=O)OC"]
[5478,"102943-71-5","CCc1nc2ncnc(O)c2nc1CC","CCc1c(nc2c(n1)ncnc2O)CC",{"$nulls":4},"CCc1nc2ncnc(O)c2nc1CC","CCc1c(nc2c(n1)ncnc2O)CC",null,"CCc1nc2ncnc(O)c2nc1CC","CCc1c(nc2c(n1)ncnc2O)CC"]
[5479,"103112-35-2","CCOC(=O)c1nc(C(Cl)(Cl)Cl)n(-c2ccc(Cl)cc2Cl)n1","CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)-c2c(cc(cc2)Cl)Cl",null,"CCOC(=O)c1nc(C(Cl)(Cl)Cl)n(-c2ccc(Cl)cc2Cl)n1","CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)-c2c(cc(cc2)Cl)Cl",null,"CCOC(=O)c1nc(C(Cl)(Cl)Cl)n(-c2ccc(Cl)cc2Cl)n1","CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)-c2c(cc(cc2)Cl)Cl",null,"CCOC(=O)c1nc(C(Cl)(Cl)Cl)n(-c2ccc(Cl)cc2Cl)n1","CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)-c2c(cc(cc2)Cl)Cl"]
[5480,"103361-09-7","C#CCN1C(=O)COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc21","C#CCN1c2c(OCC1=O)cc(F)c(N3C(C4=C(C3=O)CCCC4)=O)c2",null,"C#CCN1C(=O)COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc21","C#CCN1c2c(OCC1=O)cc(F)c(N3C(C4=C(C3=O)CCCC4)=O)c2",null,"C#CCN1C(=O)COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc21","C#CCN1c2c(OCC1=O)cc(F)c(N3C(C4=C(C3=O)CCCC4)=O)c2",null,"C#CCN1C(=O)COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc21","C#CCN1c2c(OCC1=O)cc(F)c(N3C(C4=C(C3=O)CCCC4)=O)c2"]
[5481,"103387-44-6","O=C(O)CCCC(C(=O)O)(c1ccccc1)c1ccccc1","O=C(O)CCCC(C(=O)O)(c1ccccc1)c2ccccc2",{"$nulls":4},"O=C(O)CCCC(C(=O)O)(c1ccccc1)c1ccccc1","O=C(O)CCCC(C(=O)O)(c1ccccc1)c2ccccc2",null,"O=C(O)CCCC(C(=O)O)(c1ccccc1)c1ccccc1","O=C(O)CCCC(C(=O)O)(c1ccccc1)c2ccccc2"]
[5482,"103951-39-9"]
[5483,"103951-40-2"]
[5484,"103983-05-7",{"$nulls":9},"NC1=NC(C(=O)O)CCS1","NC=1SCCC(N1)C(=O)O"]
[5485,"104098-48-8",{"$nulls":3},"Cc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1","Cc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O",{"$nulls":4},"Cc1cnc(C2=NC(=O)C(C)(C(C)C)N2)c(C(=O)O)c1","Cc1cc(c(nc1)C=2NC(C(N2)=O)(C)C(C)C)C(=O)O"]
[5486,"104273-73-6",{"$nulls":6},"O=C1CC(C(=O)O)CC(=O)C1=C(O)C1CC1","O=C1C(C(CC(C1)C(=O)O)=O)=C(O)C2CC2"]
[5487,"104315-56-2","COc1c(C(=O)O)oc2ccccc12","COc1c2c(oc1C(=O)O)cccc2",{"$nulls":4},"COc1c(C(=O)O)oc2ccccc12","COc1c2c(oc1C(=O)O)cccc2",null,"COc1c(C(=O)O)oc2ccccc12","COc1c2c(oc1C(=O)O)cccc2"]
[5488,"104437-99-2"]
[5489,"104438-04-2"]
[5490,"104459-82-7",{"$nulls":3},"COCC(=NOCC(=O)OC)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","COCC(=NOCC(=O)OC)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",{"$nulls":4},"COCC(=NOCC(=O)OC)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","COCC(=NOCC(=O)OC)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]"]
[5491,"105024-66-6","CCOc1ccc([Si](C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2)cc1","CCOc1ccc(cc1)[Si](C)(C)CCCc2cc(c(cc2)F)Oc3ccccc3",null,"CCOc1ccc([Si](C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2)cc1","CCOc1ccc(cc1)[Si](C)(C)CCCc2cc(c(cc2)F)Oc3ccccc3",null,"CCOc1ccc([Si](C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2)cc1","CCOc1ccc(cc1)[Si](C)(C)CCCc2cc(c(cc2)F)Oc3ccccc3",null,"CCOc1ccc([Si](C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2)cc1","CCOc1ccc(cc1)[Si](C)(C)CCCc2cc(c(cc2)F)Oc3ccccc3"]
[5492,"105512-06-9","C#CCOC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1","C#CCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)F",null,"C#CCOC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1","C#CCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)F",null,"C#CCOC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1","C#CCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)F",null,"C#CCOC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1","C#CCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)F"]
[5493,"105779-78-0","CCOCCc1ccc(OCCNc2ncnc(CC)c2Cl)c(C)c1C","CCOCCc1c(c(c(cc1)OCCNc2c(c(ncn2)CC)Cl)C)C",null,"CCOCCc1ccc(OCCNc2ncnc(CC)c2Cl)c(C)c1C","CCOCCc1c(c(c(cc1)OCCNc2c(c(ncn2)CC)Cl)C)C",null,"CCOCCc1ccc(OCCN=c2[nH]cnc(CC)c2Cl)c(C)c1C","CCOCCc1c(c(c(cc1)OCCN=c2c(c(nc[nH]2)CC)Cl)C)C",null,"CCOCCc1ccc(OCCN=c2[nH]cnc(CC)c2Cl)c(C)c1C","CCOCCc1c(c(c(cc1)OCCN=c2c(c(nc[nH]2)CC)Cl)C)C"]
[5494,"105900-63-8","CC(CCC(=O)O)NC(=O)c1ccccc1","CC(CCC(=O)O)NC(=O)c1ccccc1",{"$nulls":4},"CC(CCC(=O)O)N=C(O)c1ccccc1","CC(CCC(=O)O)N=C(O)c1ccccc1",null,"CC(CCC(=O)O)N=C(O)c1ccccc1","CC(CCC(=O)O)N=C(O)c1ccccc1"]
[5495,"105951-31-3",{"$nulls":9},"NS(=O)(=O)c1cc2c(s1)SCCC2=O","NS(=O)(=O)c1sc2c(c1)C(CCS2)=O"]
[5496,"105951-32-4"]
[5497,"105951-36-8"]
[5498,"105951-71-1"]
[5499,"105983-46-8","Cc1nc(Br)[nH]c1[N+](=O)[O-]","Cc1c([nH]c(n1)Br)[N+](=O)[O-]",{"$nulls":4},"Cc1nc(Br)[nH]c1[N+](=O)[O-]","Cc1c([nH]c(n1)Br)[N+](=O)[O-]",null,"Cc1nc(Br)[nH]c1[N+](=O)[O-]","Cc1c([nH]c(n1)Br)[N+](=O)[O-]"]
[5500,"106038-70-4"]
[5501,"106164-79-8"]
[5502,"106231-50-9","CNC(=O)COC(=O)c1ccccc1","CNC(=O)COC(=O)c1ccccc1",{"$nulls":4},"CNC(=O)COC(=O)c1ccccc1","CNC(=O)COC(=O)c1ccccc1",null,"CNC(=O)COC(=O)c1ccccc1","CNC(=O)COC(=O)c1ccccc1"]
[5503,"106231-51-0","CCCNC(=O)COC(=O)c1ccccc1","CCCNC(=O)COC(=O)c1ccccc1",{"$nulls":4},"CCCNC(=O)COC(=O)c1ccccc1","CCCNC(=O)COC(=O)c1ccccc1",null,"CCCNC(=O)COC(=O)c1ccccc1","CCCNC(=O)COC(=O)c1ccccc1"]
[5504,"106231-52-1","CC(C)(C)NC(=O)COC(=O)c1ccccc1","CC(C)(C)NC(=O)COC(=O)c1ccccc1"]
[5505,"106231-53-2","NC(=O)CNC(=O)COC(=O)c1ccccc1","NC(=O)CNC(=O)COC(=O)c1ccccc1"]
[5506,"106231-54-3","CN(C)C(=O)COC(=O)c1ccccc1","CN(C)C(=O)COC(=O)c1ccccc1",{"$nulls":4},"CN(C)C(=O)COC(=O)c1ccccc1","CN(C)C(=O)COC(=O)c1ccccc1",null,"CN(C)C(=O)COC(=O)c1ccccc1","CN(C)C(=O)COC(=O)c1ccccc1"]
[5507,"106231-55-4","CCCN(CCC)C(=O)COC(=O)c1ccccc1","CCCN(CCC)C(=O)COC(=O)c1ccccc1",{"$nulls":4},"CCCN(CCC)C(=O)COC(=O)c1ccccc1","CCCN(CCC)C(=O)COC(=O)c1ccccc1",null,"CCCN(CCC)C(=O)COC(=O)c1ccccc1","CCCN(CCC)C(=O)COC(=O)c1ccccc1"]
[5508,"106231-56-5"]
[5509,"106231-57-6","CCCCN(CCCC)C(=O)COC(=O)c1ccccc1","CCCCN(CCCC)C(=O)COC(=O)c1ccccc1",{"$nulls":4},"CCCCN(CCCC)C(=O)COC(=O)c1ccccc1","CCCCN(CCCC)C(=O)COC(=O)c1ccccc1",null,"CCCCN(CCCC)C(=O)COC(=O)c1ccccc1","CCCCN(CCCC)C(=O)COC(=O)c1ccccc1"]
[5510,"106231-58-7","C=CCN(CC=C)C(=O)COC(=O)c1ccccc1","C=CCN(CC=C)C(=O)COC(=O)c1ccccc1"]
[5511,"106231-59-8"]
[5512,"106231-60-1"]
[5513,"106231-61-2"]
[5514,"106231-62-3"]
[5515,"106231-63-4"]
[5516,"106231-64-5","CN(CC(=O)O)C(=O)COC(=O)c1ccccc1","CN(CC(=O)O)C(=O)COC(=O)c1ccccc1"]
[5517,"106231-67-8","O=C(OCC(=O)N1CCCCC1)c1ccccc1","O=C(OCC(=O)N1CCCCC1)c2ccccc2"]
[5518,"106231-68-9","O=C(OCC(=O)N1CCOCC1)c1ccccc1","O=C(OCC(=O)N1CCOCC1)c2ccccc2"]
[5519,"106231-69-0"]
[5520,"106319-38-4"]
[5521,"106319-42-0"]
[5522,"106319-44-2"]
[5523,"106319-45-3"]
[5524,"106319-46-4"]
[5525,"106325-08-0",{"$nulls":6},"Fc1ccc(C2(Cn3cncn3)OC2c2ccccc2Cl)cc1","Fc1ccc(cc1)C2(C(O2)c3c(cccc3)Cl)Cn4ncnc4",null,"Fc1ccc(C2(Cn3cncn3)OC2c2ccccc2Cl)cc1","Fc1ccc(cc1)C2(C(O2)c3c(cccc3)Cl)Cn4ncnc4"]
[5526,"106335-79-9"]
[5527,"106400-04-8"]
[5528,"106596-34-3","CC(C)Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","CC(C)Cc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N"]
[5529,"106840-27-1","CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnn2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nnccc2"]
[5530,"106873-99-8","CCC(NC=O)C(=O)O","CCC(NC=O)C(=O)O",{"$nulls":4},"CCC(N=CO)C(=O)O","CCC(N=CO)C(=O)O",null,"CCC(N=CO)C(=O)O","CCC(N=CO)C(=O)O"]
[5531,"107203-72-5","CCCCCc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","CCCCCc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N"]
[5532,"107534-96-3","CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1","CC(C)(C)C(O)(CCc1ccc(cc1)Cl)Cn2ncnc2",null,"CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1","CC(C)(C)C(O)(CCc1ccc(cc1)Cl)Cn2ncnc2",null,"CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1","CC(C)(C)C(O)(CCc1ccc(cc1)Cl)Cn2ncnc2",null,"CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1","CC(C)(C)C(O)(CCc1ccc(cc1)Cl)Cn2ncnc2"]
[5533,"108018-38-8"]
[5534,"108966-48-9","NS(=O)(=O)c1ccc(SCCO)cc1","NS(=O)(=O)c1ccc(cc1)SCCO",{"$nulls":4},"NS(=O)(=O)c1ccc(SCCO)cc1","NS(=O)(=O)c1ccc(cc1)SCCO",null,"NS(=O)(=O)c1ccc(SCCO)cc1","NS(=O)(=O)c1ccc(cc1)SCCO"]
[5535,"108966-49-0",{"$nulls":9},"NS(=O)(=O)c1ccc(S(=O)(=O)CCO)cc1","NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCO"]
[5536,"108966-51-4","NS(=O)(=O)c1ccc(SCCCO)cc1","NS(=O)(=O)c1ccc(cc1)SCCCO",{"$nulls":4},"NS(=O)(=O)c1ccc(SCCCO)cc1","NS(=O)(=O)c1ccc(cc1)SCCCO",null,"NS(=O)(=O)c1ccc(SCCCO)cc1","NS(=O)(=O)c1ccc(cc1)SCCCO"]
[5537,"108966-53-6",{"$nulls":9},"CC(C)(O)CCSc1ccc(S(N)(=O)=O)cc1","CC(C)(O)CCSc1ccc(cc1)S(N)(=O)=O"]
[5538,"108966-54-7","NS(=O)(=O)c1ccc(SCCCCCO)cc1","NS(=O)(=O)c1ccc(cc1)SCCCCCO",{"$nulls":4},"NS(=O)(=O)c1ccc(SCCCCCO)cc1","NS(=O)(=O)c1ccc(cc1)SCCCCCO",null,"NS(=O)(=O)c1ccc(SCCCCCO)cc1","NS(=O)(=O)c1ccc(cc1)SCCCCCO"]
[5539,"108966-55-8",{"$nulls":9},"NS(=O)(=O)c1ccc(S(=O)(=O)CCCO)cc1","NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCO"]
[5540,"108966-56-9",{"$nulls":9},"CC(C)(O)CCS(=O)(=O)c1ccc(S(N)(=O)=O)cc1","CC(C)(O)CCS(=O)(=O)c1ccc(cc1)S(N)(=O)=O"]
[5541,"108966-58-1",{"$nulls":9},"NS(=O)(=O)c1ccc(SCCO)c([N+](=O)[O-])c1","NS(=O)(=O)c1cc(c(cc1)SCCO)[N+](=O)[O-]"]
[5542,"108966-59-2","NS(=O)(=O)c1ccccc1SCCCO","NS(=O)(=O)c1c(cccc1)SCCCO",{"$nulls":7},"NS(=O)(=O)c1ccc(SCCCO)c([N+](=O)[O-])c1","NS(=O)(=O)c1cc(c(cc1)SCCCO)[N+](=O)[O-]"]
[5543,"108966-66-1"]
[5544,"108966-67-2"]
[5545,"108966-70-7",{"$nulls":9},"NS(=O)(=O)c1ccc(SCCO)c(F)c1","NS(=O)(=O)c1cc(c(cc1)SCCO)F"]
[5546,"108966-74-1",{"$nulls":9},"NS(=O)(=O)c1ccc(SCCCO)c(F)c1","NS(=O)(=O)c1cc(c(cc1)SCCCO)F"]
[5547,"108966-75-2",{"$nulls":9},"NS(=O)(=O)c1ccc(SCCCCO)c(F)c1","NS(=O)(=O)c1cc(c(cc1)SCCCCO)F"]
[5548,"108966-76-3",{"$nulls":9},"NS(=O)(=O)c1ccc(S(=O)(=O)CCO)c(F)c1","NS(=O)(=O)c1cc(c(cc1)S(=O)(=O)CCO)F"]
[5549,"108966-77-4",{"$nulls":9},"NS(=O)(=O)c1ccc(S(=O)(=O)CCCO)c(F)c1","NS(=O)(=O)c1cc(c(cc1)S(=O)(=O)CCCO)F"]
[5550,"108966-78-5",{"$nulls":9},"NS(=O)(=O)c1ccc(S(=O)(=O)CCCCO)cc1","NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCCO"]
[5551,"108967-69-7","CC(O)(CCC(C)(O)C(=O)O)C(=O)O","CC(O)(CCC(C)(O)C(=O)O)C(=O)O"]
[5552,"109217-08-5","CCCc1nc(N)c(CC)c(CCC)n1","CCCc1nc(c(c(n1)N)CC)CCC",{"$nulls":4},"CCCc1nc(CCC)c(CC)c(=N)[nH]1","CCCc1[nH]c(c(c(n1)CCC)CC)=N",null,"CCCc1nc(CCC)c(CC)c(=N)[nH]1","CCCc1[nH]c(c(c(n1)CCC)CC)=N"]
[5553,"109293-97-2",{"$nulls":3},"CC(=NNC(=O)Nc1cc(F)cc(F)c1)c1ncccc1C(=O)O","CC(=NNC(=O)Nc1cc(cc(c1)F)F)c2c(cccn2)C(=O)O",{"$nulls":4},"CC(=NNC(=O)Nc1cc(F)cc(F)c1)c1ncccc1C(=O)O","CC(=NNC(=O)Nc1cc(cc(c1)F)F)c2c(cccn2)C(=O)O"]
[5554,"109407-76-3","O=C(O)c1ccccc1C1OC(=O)c2ccccc21","O=C(O)c1c(cccc1)C2c3c(C(O2)=O)cccc3",{"$nulls":4},"O=C(O)c1ccccc1C1OC(=O)c2ccccc21","O=C(O)c1c(cccc1)C2c3c(C(O2)=O)cccc3",null,"O=C(O)c1ccccc1C1OC(=O)c2ccccc21","O=C(O)c1c(cccc1)C2c3c(C(O2)=O)cccc3"]
[5555,"109643-95-0","O=C1CCCCCCCCCCCCCCCCCN1","O=C1NCCCCCCCCCCCCCCCCC1",{"$nulls":4},"OC1=NCCCCCCCCCCCCCCCCC1","OC=1CCCCCCCCCCCCCCCCCN1",null,"OC1=NCCCCCCCCCCCCCCCCC1","OC=1CCCCCCCCCCCCCCCCCN1"]
[5556,"110056-75-2"]
[5557,"110104-37-5",{"$nulls":9},"CC(=O)Nc1nc(=O)c2ncn(COCCO)c2[nH]1","CC(=O)Nc1[nH]c2c(c(n1)=O)ncn2COCCO"]
[5558,"110235-47-7","CC#Cc1cc(C)nc(Nc2ccccc2)n1","CC#Cc1nc(nc(c1)C)Nc2ccccc2",null,"CC#Cc1cc(C)nc(Nc2ccccc2)n1","CC#Cc1nc(nc(c1)C)Nc2ccccc2",null,"CC#Cc1cc(C)nc(Nc2ccccc2)n1","CC#Cc1nc(nc(c1)C)Nc2ccccc2",null,"CC#Cc1cc(C)nc(Nc2ccccc2)n1","CC#Cc1nc(nc(c1)C)Nc2ccccc2"]
[5559,"110956-75-7",{"$nulls":6},"CC(C)=C1OC(=O)N(c2cc(OC3CCCC3)c(Cl)cc2F)C1=O","CC(C)=C1C(N(C(O1)=O)c2c(cc(c(c2)OC3CCCC3)Cl)F)=O",null,"CC(C)=C1OC(=O)N(c2cc(OC3CCCC3)c(Cl)cc2F)C1=O","CC(C)=C1C(N(C(O1)=O)c2c(cc(c(c2)OC3CCCC3)Cl)F)=O"]
[5560,"111192-85-9","Cc1ccc(P(=O)(O)O)c(C)c1","Cc1cc(c(cc1)P(=O)(O)O)C",{"$nulls":4},"Cc1ccc(P(=O)(O)O)c(C)c1","Cc1cc(c(cc1)P(=O)(O)O)C",null,"Cc1ccc(P(=O)(O)O)c(C)c1","Cc1cc(c(cc1)P(=O)(O)O)C"]
[5561,"111479-05-1","CC(C)=NOCCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","CC(C)=NOCCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",null,"CC(C)=NOCCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","CC(C)=NOCCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",null,"CC(C)=NOCCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","CC(C)=NOCCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",null,"CC(C)=NOCCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","CC(C)=NOCCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3"]
[5562,"111578-32-6",{"$nulls":6},"CON(C)C(=O)Nc1ccc(Oc2ccc3c(c2)OC(C)(OC)CC3(C)C)cc1","CON(C)C(=O)Nc1ccc(cc1)Oc2cc3c(cc2)C(CC(O3)(C)OC)(C)C",null,"CON(C)C(=O)Nc1ccc(Oc2ccc3c(c2)OC(C)(OC)CC3(C)C)cc1","CON(C)C(=O)Nc1ccc(cc1)Oc2cc3c(cc2)C(CC(O3)(C)OC)(C)C"]
[5563,"111675-77-5"]
[5564,"111692-63-8"]
[5565,"111767-94-3"]
[5566,"111767-95-4"]
[5567,"111797-49-0"]
[5568,"111812-58-9","Cc1nn(C)c(Oc2ccccc2)c1C=NOCc1ccc(C(=O)OC(C)(C)C)cc1","Cc1c(c(n(n1)C)Oc2ccccc2)C=NOCc3ccc(cc3)C(=O)OC(C)(C)C",null,"Cc1nn(C)c(Oc2ccccc2)c1C=NOCc1ccc(C(=O)OC(C)(C)C)cc1","Cc1c(c(n(n1)C)Oc2ccccc2)C=NOCc3ccc(cc3)C(=O)OC(C)(C)C",null,"Cc1nn(C)c(Oc2ccccc2)c1C=NOCc1ccc(C(=O)OC(C)(C)C)cc1","Cc1c(c(n(n1)C)Oc2ccccc2)C=NOCc3ccc(cc3)C(=O)OC(C)(C)C",null,"Cc1nn(C)c(Oc2ccccc2)c1C=NOCc1ccc(C(=O)OC(C)(C)C)cc1","Cc1c(c(n(n1)C)Oc2ccccc2)C=NOCc3ccc(cc3)C(=O)OC(C)(C)C"]
[5569,"111872-58-3","CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)(F)Br)cc1","CC(C)(COCc1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)(F)Br",null,"CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)(F)Br)cc1","CC(C)(COCc1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)(F)Br",null,"CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)(F)Br)cc1","CC(C)(COCc1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)(F)Br",null,"CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)(F)Br)cc1","CC(C)(COCc1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)(F)Br"]
[5570,"112143-82-5","CCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C","CCOC(=O)CSc1n(nc(n1)C(C)(C)C)C(=O)N(C)C",null,"CCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C","CCOC(=O)CSc1n(nc(n1)C(C)(C)C)C(=O)N(C)C",null,"CCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C","CCOC(=O)CSc1n(nc(n1)C(C)(C)C)C(=O)N(C)C"]
[5571,"112226-61-6","CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1","CC(C)(C)N(NC(=O)c1ccc(cc1)Cl)C(=O)c2ccccc2",null,"CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1","CC(C)(C)N(NC(=O)c1ccc(cc1)Cl)C(=O)c2ccccc2",null,"CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1","CC(C)(C)N(NC(=O)c1ccc(cc1)Cl)C(=O)c2ccccc2",null,"CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1","CC(C)(C)N(NC(=O)c1ccc(cc1)Cl)C(=O)c2ccccc2"]
[5572,"112410-23-8","CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1","CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C",null,"CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1","CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C",null,"CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1","CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C",null,"CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1","CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C"]
[5573,"113136-77-9","O=C(O)C1CC1C(=O)Nc1ccc(Cl)cc1Cl","O=C(O)C1C(C1)C(=O)Nc2c(cc(cc2)Cl)Cl",null,"O=C(O)C1CC1C(=O)Nc1ccc(Cl)cc1Cl","O=C(O)C1C(C1)C(=O)Nc2c(cc(cc2)Cl)Cl",null,"O=C(O)C1(C(=O)Nc2ccc(Cl)cc2Cl)CC1","O=C(O)C1(CC1)C(=O)Nc2c(cc(cc2)Cl)Cl",null,"O=C(O)C1(C(=O)Nc2ccc(Cl)cc2Cl)CC1","O=C(O)C1(CC1)C(=O)Nc2c(cc(cc2)Cl)Cl"]
[5574,"113158-40-0","CC(Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(=O)O","CC(Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3)C(=O)O",null,"CC(Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(=O)O","CC(Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3)C(=O)O",null,"CC(Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(=O)O","CC(Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3)C(=O)O",null,"CC(Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(=O)O","CC(Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3)C(=O)O"]
[5575,"113222-29-0"]
[5577,"113597-77-6"]
[5578,"113597-78-7","Nc1ccc(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)S(N)(=O)=O"]
[5579,"114311-32-9","COCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1","COCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O",null,"COCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1","COCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O",null,"COCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1","COCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O",null,"COCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1","COCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O"]
[5580,"114369-43-6","N#CC(CCc1ccc(Cl)cc1)(Cn1cncn1)c1ccccc1","N#CC(CCc1ccc(cc1)Cl)(Cn2ncnc2)c3ccccc3",null,"N#CC(CCc1ccc(Cl)cc1)(Cn1cncn1)c1ccccc1","N#CC(CCc1ccc(cc1)Cl)(Cn2ncnc2)c3ccccc3",null,"N#CC(CCc1ccc(Cl)cc1)(Cn1cncn1)c1ccccc1","N#CC(CCc1ccc(cc1)Cl)(Cn2ncnc2)c3ccccc3",null,"N#CC(CCc1ccc(Cl)cc1)(Cn1cncn1)c1ccccc1","N#CC(CCc1ccc(cc1)Cl)(Cn2ncnc2)c3ccccc3"]
[5581,"114592-79-9","CCC1C(=O)OC1C","CCC1C(OC1=O)C",{"$nulls":4},"CCC1C(=O)OC1C","CCC1C(OC1=O)C",null,"CCC1C(=O)OC1C","CCC1C(OC1=O)C"]
[5582,"114665-08-6",{"$nulls":6},"CN(C)C(=O)COC(=O)c1ccccc1O","CN(C)C(=O)COC(=O)c1c(cccc1)O",null,"CN(C)C(=O)COC(=O)c1ccccc1O","CN(C)C(=O)COC(=O)c1c(cccc1)O"]
[5583,"114665-09-7",{"$nulls":6},"CN(CCO)C(=O)COC(=O)c1ccccc1O","CN(CCO)C(=O)COC(=O)c1c(cccc1)O",null,"CN(CCO)C(=O)COC(=O)c1ccccc1O","CN(CCO)C(=O)COC(=O)c1c(cccc1)O"]
[5584,"115178-63-7"]
[5585,"115178-64-8"]
[5586,"115178-66-0","O=C(OCC(=O)N1CCC1)c1ccccc1","O=C(OCC(=O)N1CCC1)c2ccccc2"]
[5587,"115178-68-2","O=C(OCC(=O)N1CCCCCC1)c1ccccc1","O=C(OCC(=O)N1CCCCCC1)c2ccccc2"]
[5588,"115178-71-7","O=C(OCC(=O)N1CCC(O)CC1)c1ccccc1","O=C(OCC(=O)N1CCC(CC1)O)c2ccccc2"]
[5589,"115178-74-0"]
[5590,"115178-75-1","O=C(OCC(=O)N1CCCC1C(=O)O)c1ccccc1","O=C(OCC(=O)N1C(CCC1)C(=O)O)c2ccccc2",{"$nulls":4},"O=C(OCC(=O)N1CCCC1C(=O)O)c1ccccc1","O=C(OCC(=O)N1C(CCC1)C(=O)O)c2ccccc2",null,"O=C(OCC(=O)N1CCCC1C(=O)O)c1ccccc1","O=C(OCC(=O)N1C(CCC1)C(=O)O)c2ccccc2"]
[5591,"115178-76-2","COC(=O)C1CCCN1C(=O)COC(=O)c1ccccc1","COC(=O)C1N(CCC1)C(=O)COC(=O)c2ccccc2",{"$nulls":4},"COC(=O)C1CCCN1C(=O)COC(=O)c1ccccc1","COC(=O)C1N(CCC1)C(=O)COC(=O)c2ccccc2",null,"COC(=O)C1CCCN1C(=O)COC(=O)c1ccccc1","COC(=O)C1N(CCC1)C(=O)COC(=O)c2ccccc2"]
[5592,"115178-77-3","CN(C)C(=O)CCOC(=O)c1ccccc1","CN(C)C(=O)CCOC(=O)c1ccccc1",{"$nulls":4},"CN(C)C(=O)CCOC(=O)c1ccccc1","CN(C)C(=O)CCOC(=O)c1ccccc1",null,"CN(C)C(=O)CCOC(=O)c1ccccc1","CN(C)C(=O)CCOC(=O)c1ccccc1"]
[5593,"115178-78-4","CN(C)C(=O)CCCOC(=O)c1ccccc1","CN(C)C(=O)CCCOC(=O)c1ccccc1"]
[5594,"115178-79-5"]
[5595,"115178-80-8","CC(=O)N(C)C(=O)COC(=O)c1ccccc1","CC(=O)N(C)C(=O)COC(=O)c1ccccc1"]
[5596,"115193-27-6","CC(C)NC(=O)COC(=O)c1ccccc1","CC(C)NC(=O)COC(=O)c1ccccc1"]
[5597,"115193-28-7","CCCCNC(=O)COC(=O)c1ccccc1","CCCCNC(=O)COC(=O)c1ccccc1"]
[5598,"115193-29-8","CCCCCCNC(=O)COC(=O)c1ccccc1","CCCCCCNC(=O)COC(=O)c1ccccc1"]
[5599,"115193-30-1","CC(NC(=O)COC(=O)c1ccccc1)C(N)=O","CC(NC(=O)COC(=O)c1ccccc1)C(N)=O"]
[5600,"115193-31-2"]
[5601,"115193-33-4"]
[5602,"116167-27-2","CCCCCCN1CC(C(=O)O)CC1=O","CCCCCCN1C(CC(C1)C(=O)O)=O",{"$nulls":7},"CCCCCCN1CC(C(=O)O)CC1=O","CCCCCCN1C(CC(C1)C(=O)O)=O"]
[5603,"116255-48-2","Clc1ccc(C2(Cn3cncn3)CC(Br)CO2)c(Cl)c1","Clc1cc(c(cc1)C2(OCC(C2)Br)Cn3ncnc3)Cl",null,"Clc1ccc(C2(Cn3cncn3)CC(Br)CO2)c(Cl)c1","Clc1cc(c(cc1)C2(OCC(C2)Br)Cn3ncnc3)Cl",null,"Clc1ccc(C2(Cn3cncn3)CC(Br)CO2)c(Cl)c1","Clc1cc(c(cc1)C2(OCC(C2)Br)Cn3ncnc3)Cl",null,"Clc1ccc(C2(Cn3cncn3)CC(Br)CO2)c(Cl)c1","Clc1cc(c(cc1)C2(OCC(C2)Br)Cn3ncnc3)Cl"]
[5604,"116482-56-5"]
[5605,"116482-75-8","CCCN(CCC)C1(OC(C)=O)C=CC=CC1C(=O)O","CCCN(CCC)C1(C(C=CC=C1)C(=O)O)OC(C)=O"]
[5606,"116482-76-9"]
[5607,"116482-77-0"]
[5608,"116482-80-5","CC(=O)OC1(N2CCOCC2)C=CC=CC1C(=O)O","CC(=O)OC1(C(C=CC=C1)C(=O)O)N2CCOCC2"]
[5609,"116714-46-6","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OC(F)(F)C(F)OC(F)(F)F)c(Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)OC(F)(F)C(F)OC(F)(F)F)Cl",null,"O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OC(F)(F)C(F)OC(F)(F)F)c(Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)OC(F)(F)C(F)OC(F)(F)F)Cl",null,"O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OC(F)(F)C(F)OC(F)(F)F)c(Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)OC(F)(F)C(F)OC(F)(F)F)Cl",null,"O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OC(F)(F)C(F)OC(F)(F)F)c(Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)OC(F)(F)C(F)OC(F)(F)F)Cl"]
[5610,"116724-10-8","CCNC(C)CC","CCNC(C)CC",null,"CCNC(C)CC","CCNC(C)CC"]
[5611,"116783-33-6","NCCCCC(NC(=O)c1ccccc1)C(=O)O","NCCCCC(NC(=O)c1ccccc1)C(=O)O",{"$nulls":4},"NCCCCC(N=C(O)c1ccccc1)C(=O)O","NCCCCC(N=C(O)c1ccccc1)C(=O)O",null,"NCCCCC(N=C(O)c1ccccc1)C(=O)O","NCCCCC(N=C(O)c1ccccc1)C(=O)O"]
[5612,"116977-37-8"]
[5613,"117337-19-6","COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl","COC(=O)CSc1c(cc(c(c1)N=c2n3n(c(s2)=O)CCCC3)F)Cl",null,"COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl","COC(=O)CSc1c(cc(c(c1)N=c2n3n(c(s2)=O)CCCC3)F)Cl",null,"COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl","COC(=O)CSc1c(cc(c(c1)N=c2n3n(c(s2)=O)CCCC3)F)Cl",null,"COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl","COC(=O)CSc1c(cc(c(c1)N=c2n3n(c(s2)=O)CCCC3)F)Cl"]
[5614,"117468-79-8","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O"]
[5615,"117608-69-2"]
[5616,"117718-60-2","COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C2=NCCS2)c1CC(C)C","COC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C=2SCCN2)CC(C)C",null,"COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C2=NCCS2)c1CC(C)C","COC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C=2SCCN2)CC(C)C",null,"COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C2=NCCS2)c1CC(C)C","COC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C=2SCCN2)CC(C)C",null,"COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C2=NCCS2)c1CC(C)C","COC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C=2SCCN2)CC(C)C"]
[5617,"118134-30-8",{"$nulls":3},"CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1","CCCN(CC)CC1OC2(OC1)CCC(CC2)C(C)(C)C",{"$nulls":4},"CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1","CCCN(CC)CC1OC2(OC1)CCC(CC2)C(C)(C)C"]
[5618,"118172-64-8","O=[N+]([O-])c1cc(CCO)ccc1O","O=[N+]([O-])c1c(ccc(c1)CCO)O",{"$nulls":4},"O=[N+]([O-])c1cc(CCO)ccc1O","O=[N+]([O-])c1c(ccc(c1)CCO)O",null,"O=[N+]([O-])c1cc(CCO)ccc1O","O=[N+]([O-])c1c(ccc(c1)CCO)O"]
[5619,"118247-01-1"]
[5620,"118247-02-2"]
[5621,"118247-03-3"]
[5622,"118247-04-4","CC(=O)OC1(N(C)C)C=CC=CC1C(=O)O","CC(=O)OC1(C(C=CC=C1)C(=O)O)N(C)C"]
[5623,"118247-07-7",{"$nulls":6},"CCCC(=O)OCOC(=O)c1ccccc1OC(C)=O","CCCC(=O)OCOC(=O)c1c(cccc1)OC(C)=O",null,"CCCC(=O)OCOC(=O)c1ccccc1OC(C)=O","CCCC(=O)OCOC(=O)c1c(cccc1)OC(C)=O"]
[5624,"118343-31-0","CC1OC(=O)c2cc(N)ccc21","CC1c2c(C(O1)=O)cc(N)cc2",{"$nulls":4},"CC1OC(=O)c2cc(N)ccc21","CC1c2c(C(O1)=O)cc(N)cc2",null,"CC1OC(=O)c2cc(N)ccc21","CC1c2c(C(O1)=O)cc(N)cc2"]
[5625,"118712-89-3","CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1c(F)c(F)cc(F)c1F","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2c(c(cc(c2F)F)F)F)C",null,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1c(F)c(F)cc(F)c1F","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2c(c(cc(c2F)F)F)F)C",null,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1c(F)c(F)cc(F)c1F","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2c(c(cc(c2F)F)F)F)C",null,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1c(F)c(F)cc(F)c1F","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2c(c(cc(c2F)F)F)F)C"]
[5626,"118923-30-1"]
[5627,"118976-97-9","COc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1","COc1ccc(cc1)C(=O)c2cc(sc2)S(N)(=O)=O",{"$nulls":4},"COc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1","COc1ccc(cc1)C(=O)c2cc(sc2)S(N)(=O)=O",null,"COc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1","COc1ccc(cc1)C(=O)c2cc(sc2)S(N)(=O)=O"]
[5628,"118993-57-0","NS(=O)(=O)c1cc(C(=O)c2ccc(O)cc2)cs1","NS(=O)(=O)c1scc(c1)C(=O)c2ccc(cc2)O"]
[5629,"118993-61-6","COc1ccc(C(=O)c2coc(S(N)(=O)=O)c2)cc1","COc1ccc(cc1)C(=O)c2cc(oc2)S(N)(=O)=O"]
[5630,"119018-06-3","Cc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1","Cc1ccc(cc1)C(=O)c2cc(sc2)S(N)(=O)=O"]
[5631,"119126-15-7","NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(COCC(F)(F)C(F)(F)F)c2)n1","NC(=O)c1nn(c(n1)-c2ccccc2)-c3cc(c(cc3)Cl)COCC(F)(F)C(F)(F)F",null,"NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(COCC(F)(F)C(F)(F)F)c2)n1","NC(=O)c1nn(c(n1)-c2ccccc2)-c3cc(c(cc3)Cl)COCC(F)(F)C(F)(F)F",null,"NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(COCC(F)(F)C(F)(F)F)c2)n1","NC(=O)c1nn(c(n1)-c2ccccc2)-c3cc(c(cc3)Cl)COCC(F)(F)C(F)(F)F",null,"NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(COCC(F)(F)C(F)(F)F)c2)n1","NC(=O)c1nn(c(n1)-c2ccccc2)-c3cc(c(cc3)Cl)COCC(F)(F)C(F)(F)F"]
[5632,"119168-77-3","CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl","CCc1c(c(n(n1)C)C(=O)NCc2ccc(cc2)C(C)(C)C)Cl",null,"CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl","CCc1c(c(n(n1)C)C(=O)NCc2ccc(cc2)C(C)(C)C)Cl",null,"CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl","CCc1c(c(n(n1)C)C(=O)NCc2ccc(cc2)C(C)(C)C)Cl",null,"CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl","CCc1c(c(n(n1)C)C(=O)NCc2ccc(cc2)C(C)(C)C)Cl"]
[5633,"119446-68-3","CC1COC(Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1","CC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Oc4ccc(cc4)Cl)Cl",null,"CC1COC(Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1","CC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Oc4ccc(cc4)Cl)Cl",null,"CC1COC(Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1","CC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Oc4ccc(cc4)Cl)Cl",null,"CC1COC(Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1","CC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Oc4ccc(cc4)Cl)Cl"]
[5634,"119731-18-9"]
[5635,"119738-06-6","CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCC1CCCO1","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)OCC4OCCC4",null,"CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCC1CCCO1","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)OCC4OCCC4",null,"CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCC1CCCO1","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)OCC4OCCC4",null,"CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCC1CCCO1","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)OCC4OCCC4"]
[5636,"120068-37-3","N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F","N#Cc1c(c(n(n1)-c2c(cc(cc2Cl)C(F)(F)F)Cl)N)S(=O)C(F)(F)F",null,"N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F","N#Cc1c(c(n(n1)-c2c(cc(cc2Cl)C(F)(F)F)Cl)N)S(=O)C(F)(F)F",null,"N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F","N#Cc1c(c(n(n1)-c2c(cc(cc2Cl)C(F)(F)F)Cl)N)S(=O)C(F)(F)F"]
[5637,"120162-55-2","COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(-c3nnn(C)n3)cnn2C)n1","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n(ncc2-c3nn(nn3)C)C",null,"COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(-c3nnn(C)n3)cnn2C)n1","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n(ncc2-c3nn(nn3)C)C",null,"COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(-c3nnn(C)n3)cnn2C)n1","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n(ncc2-c3nn(nn3)C)C",null,"COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(-c3nnn(C)n3)cnn2C)n1","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n(ncc2-c3nn(nn3)C)C"]
[5638,"120738-89-8","CCN(Cc1ccc(Cl)nc1)C(=C[N+](=O)[O-])NC","CCN(Cc1cnc(cc1)Cl)C(=C[N+](=O)[O-])NC",{"$nulls":4},"CCN(Cc1ccc(Cl)nc1)C(=C[N+](=O)[O-])NC","CCN(Cc1cnc(cc1)Cl)C(=C[N+](=O)[O-])NC",null,"CCN(Cc1ccc(Cl)nc1)C(=C[N+](=O)[O-])NC","CCN(Cc1cnc(cc1)Cl)C(=C[N+](=O)[O-])NC"]
[5639,"120928-09-8","CC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1","CC(C)(C)c1ccc(cc1)CCOc2c3c(ncn2)cccc3",null,"CC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1","CC(C)(C)c1ccc(cc1)CCOc2c3c(ncn2)cccc3",null,"CC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1","CC(C)(C)c1ccc(cc1)CCOc2c3c(ncn2)cccc3",null,"CC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1","CC(C)(C)c1ccc(cc1)CCOc2c3c(ncn2)cccc3"]
[5640,"121082-77-7","COc1ccc(NCC(O)CO)cc1","COc1ccc(cc1)NCC(O)CO",{"$nulls":4},"COc1ccc(NCC(O)CO)cc1","COc1ccc(cc1)NCC(O)CO",null,"COc1ccc(NCC(O)CO)cc1","COc1ccc(cc1)NCC(O)CO"]
[5641,"121552-61-2",{"$nulls":3},"Cc1cc(C2CC2)nc(Nc2ccccc2)n1","Cc1nc(nc(c1)C2CC2)Nc3ccccc3",{"$nulls":4},"Cc1cc(C2CC2)nc(Nc2ccccc2)n1","Cc1nc(nc(c1)C2CC2)Nc3ccccc3"]
[5642,"121776-33-8",{"$nulls":3},"CC1(C)OC(c2ccco2)CN1C(=O)C(Cl)Cl","CC1(N(CC(O1)c2occc2)C(=O)C(Cl)Cl)C",null,"CC1(C)OC(c2ccco2)CN1C(=O)C(Cl)Cl","CC1(N(CC(O1)c2occc2)C(=O)C(Cl)Cl)C",null,"CC1(C)OC(c2ccco2)CN1C(=O)C(Cl)Cl","CC1(N(CC(O1)c2occc2)C(=O)C(Cl)Cl)C"]
[5644,"122510-85-4"]
[5645,"122548-33-8","COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(Cl)nc3ccccn23)n1","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n3c(nc2Cl)cccc3",null,"COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(Cl)nc3ccccn23)n1","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n3c(nc2Cl)cccc3",null,"COc1cc(OC)nc(N=C(O)NS(=O)(=O)c2c(Cl)nc3ccccn23)n1","COc1nc(nc(c1)OC)N=C(O)NS(=O)(=O)c2n3c(nc2Cl)cccc3",null,"COc1cc(OC)nc(N=C(O)NS(=O)(=O)c2c(Cl)nc3ccccn23)n1","COc1nc(nc(c1)OC)N=C(O)NS(=O)(=O)c2n3c(nc2Cl)cccc3"]
[5646,"122723-93-7","NC(=O)CC(NC(=O)CCl)C(=O)O","NC(=O)CC(NC(=O)CCl)C(=O)O",{"$nulls":7},"NC(=O)CC(NC(=O)CCl)C(=O)O","NC(=O)CC(NC(=O)CCl)C(=O)O"]
[5647,"122931-48-0","CCS(=O)(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCS(=O)(=O)c1c(nccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",null,"CCS(=O)(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCS(=O)(=O)c1c(nccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",null,"CCS(=O)(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCS(=O)(=O)c1c(nccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",null,"CCS(=O)(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCS(=O)(=O)c1c(nccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC"]
[5648,"123202-89-1",{"$nulls":6},"O=C(OC1CCNCC1)c1ccccc1","O=C(OC1CCNCC1)c2ccccc2",null,"O=C(OC1CCNCC1)c1ccccc1","O=C(OC1CCNCC1)c2ccccc2"]
[5649,"123312-89-0","CC1=NNC(=O)N(N=Cc2cccnc2)C1","CC=1CN(C(NN1)=O)N=Cc2cnccc2",null,"CC1=NNC(=O)N(N=Cc2cccnc2)C1","CC=1CN(C(NN1)=O)N=Cc2cnccc2",null,"CC1=NNC(=O)N(N=Cc2cccnc2)C1","CC=1CN(C(NN1)=O)N=Cc2cnccc2",null,"CC1=NNC(=O)N(N=Cc2cccnc2)C1","CC=1CN(C(NN1)=O)N=Cc2cnccc2"]
[5650,"123411-56-3","CC(O)CCCC=O","CC(O)CCCC=O",{"$nulls":4},"CC(O)CCCC=O","CC(O)CCCC=O",null,"CC(O)CCCC=O","CC(O)CCCC=O"]
[5651,"123469-53-4",{"$nulls":6},"O=C(O)CCCCCCNS(=O)(=O)c1ccccc1","O=C(O)CCCCCCNS(=O)(=O)c1ccccc1",null,"O=C(O)CCCCCCNS(=O)(=O)c1ccccc1","O=C(O)CCCCCCNS(=O)(=O)c1ccccc1"]
[5652,"123796-70-3","CCOC(=O)c1ccc(OC)c(OC)c1C(=O)[O-]","CCOC(=O)c1c(c(c(cc1)OC)OC)C(=O)O",{"$nulls":7},"CCOC(=O)c1ccc(OC)c(OC)c1C(=O)[O-]","CCOC(=O)c1c(c(c(cc1)OC)OC)C(=O)O"]
[5653,"124495-18-7","Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1","Fc1ccc(cc1)Oc2c3c(ncc2)cc(Cl)cc3Cl",null,"Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1","Fc1ccc(cc1)Oc2c3c(ncc2)cc(Cl)cc3Cl",null,"Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1","Fc1ccc(cc1)Oc2c3c(ncc2)cc(Cl)cc3Cl",null,"Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1","Fc1ccc(cc1)Oc2c3c(ncc2)cc(Cl)cc3Cl"]
[5654,"125116-23-6","CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1","CC1(C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C",null,"CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1","CC1(C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C",null,"CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1","CC1(C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C",null,"CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1","CC1(C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C"]
[5655,"125225-28-7",{"$nulls":3},"CC(C)C1CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1","CC(C)C1C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3",null,"CC(C)C1CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1","CC(C)C1C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3",null,"CC(C)C1CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1","CC(C)C1C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3"]
[5656,"125306-83-4","CCN(CC)C(=O)n1cnc(S(=O)(=O)c2c(C)cc(C)cc2C)n1","CCN(CC)C(=O)n1nc(nc1)S(=O)(=O)c2c(cc(cc2C)C)C",null,"CCN(CC)C(=O)n1cnc(S(=O)(=O)c2c(C)cc(C)cc2C)n1","CCN(CC)C(=O)n1nc(nc1)S(=O)(=O)c2c(cc(cc2C)C)C",null,"CCN(CC)C(=O)n1cnc(S(=O)(=O)c2c(C)cc(C)cc2C)n1","CCN(CC)C(=O)n1nc(nc1)S(=O)(=O)c2c(cc(cc2C)C)C",null,"CCN(CC)C(=O)n1cnc(S(=O)(=O)c2c(C)cc(C)cc2C)n1","CCN(CC)C(=O)n1nc(nc1)S(=O)(=O)c2c(cc(cc2C)C)C"]
[5657,"125349-99-7","CC=CC(=O)Nc1ccc(O)cc1","CC=CC(=O)Nc1ccc(cc1)O",{"$nulls":4},"CC=CC(=O)Nc1ccc(O)cc1","CC=CC(=O)Nc1ccc(cc1)O",null,"CC=CC(=O)Nc1ccc(O)cc1","CC=CC(=O)Nc1ccc(cc1)O"]
[5658,"125644-63-5"]
[5659,"126245-49-6","CCC(C#N)(CC)C(=O)NC(N)=O","CCC(C#N)(CC)C(=O)NC(N)=O",{"$nulls":4},"CCC(C#N)(CC)C(O)=NC(=N)O","CCC(C#N)(CC)C(O)=NC(=N)O",null,"CCC(C#N)(CC)C(O)=NC(=N)O","CCC(C#N)(CC)C(O)=NC(=N)O"]
[5660,"126801-58-9","CCOc1ccccc1OS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCOc1c(cccc1)OS(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",{"$nulls":4},"CCOc1ccccc1OS(=O)(=O)NC(O)=Nc1nc(OC)cc(OC)n1","CCOc1c(cccc1)OS(=O)(=O)NC(O)=Nc2nc(cc(n2)OC)OC",null,"CCOc1ccccc1OS(=O)(=O)NC(O)=Nc1nc(OC)cc(OC)n1","CCOc1c(cccc1)OS(=O)(=O)NC(O)=Nc2nc(cc(n2)OC)OC"]
[5661,"127640-90-8"]
[5662,"128348-32-3"]
[5663,"128348-34-5"]
[5664,"128348-35-6"]
[5665,"128348-42-5"]
[5666,"128348-43-6"]
[5667,"128348-44-7"]
[5668,"128639-02-1","CCOC(=O)C(Cl)Cc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl","CCOC(=O)C(Cl)Cc1c(cc(c(c1)-n2c(n(c(n2)C)C(F)F)=O)F)Cl",null,"CCOC(=O)C(Cl)Cc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl","CCOC(=O)C(Cl)Cc1c(cc(c(c1)-n2c(n(c(n2)C)C(F)F)=O)F)Cl",null,"CCOC(=O)C(Cl)Cc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl","CCOC(=O)C(Cl)Cc1c(cc(c(c1)-n2c(n(c(n2)C)C(F)F)=O)F)Cl",null,"CCOC(=O)C(Cl)Cc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl","CCOC(=O)C(Cl)Cc1c(cc(c(c1)-n2c(n(c(n2)C)C(F)F)=O)F)Cl"]
[5669,"128823-80-3"]
[5670,"129025-54-3","CCc1c(C(=O)O)c(=O)cnn1-c1ccc(Cl)cc1","CCc1n(ncc(c1C(=O)O)=O)-c2ccc(cc2)Cl",null,"CCc1c(C(=O)O)c(=O)cnn1-c1ccc(Cl)cc1","CCc1n(ncc(c1C(=O)O)=O)-c2ccc(cc2)Cl",null,"CCc1c(C(=O)O)c(=O)cnn1-c1ccc(Cl)cc1","CCc1n(ncc(c1C(=O)O)=O)-c2ccc(cc2)Cl",null,"CCc1c(C(=O)O)c(=O)cnn1-c1ccc(Cl)cc1","CCc1n(ncc(c1C(=O)O)=O)-c2ccc(cc2)Cl"]
[5671,"129085-57-0"]
[5672,"129085-58-1"]
[5673,"129586-32-9",{"$nulls":3},"OC1(c2ccc(Cl)cc2)CCCCCC1n1cncn1","OC1(C(CCCCC1)n2ncnc2)c3ccc(cc3)Cl"]
[5674,"129630-17-7","CCOC(=O)COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl","CCOC(=O)COc1c(cc(c(c1)-c2c(c(n(n2)C)OC(F)F)Cl)F)Cl",{"$nulls":4},"CCOC(=O)COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl","CCOC(=O)COc1c(cc(c(c1)-c2c(c(n(n2)C)OC(F)F)Cl)F)Cl",null,"Cn1nc(-c2cc(OCC(=O)O)c(Cl)cc2F)c(Cl)c1OC(F)F","Cn1c(c(c(n1)-c2c(cc(c(c2)OCC(=O)O)Cl)F)Cl)OC(F)F"]
[5675,"130000-40-7",{"$nulls":3},"Cc1nc(C(F)(F)F)c(C(=O)Nc2c(Br)cc(OC(F)(F)F)cc2Br)s1","Cc1sc(c(n1)C(F)(F)F)C(=O)Nc2c(cc(cc2Br)OC(F)(F)F)Br",null,"Cc1nc(C(F)(F)F)c(C(O)=Nc2c(Br)cc(OC(F)(F)F)cc2Br)s1","Cc1sc(c(n1)C(F)(F)F)C(O)=Nc2c(cc(cc2Br)OC(F)(F)F)Br",null,"Cc1nc(C(F)(F)F)c(C(O)=Nc2c(Br)cc(OC(F)(F)F)cc2Br)s1","Cc1sc(c(n1)C(F)(F)F)C(O)=Nc2c(cc(cc2Br)OC(F)(F)F)Br"]
[5676,"130339-07-0",{"$nulls":6},"CCC(Nc1ncnc(C)c1Cl)c1ccc(OC(F)F)cc1","CCC(Nc1c(c(ncn1)C)Cl)c2ccc(cc2)OC(F)F",null,"CCC(Nc1ncnc(C)c1Cl)c1ccc(OC(F)F)cc1","CCC(Nc1c(c(ncn1)C)Cl)c2ccc(cc2)OC(F)F"]
[5677,"131341-86-1","N#Cc1c[nH]cc1-c1cccc2c1OC(F)(F)O2","N#Cc1c(c[nH]c1)-c2c3c(ccc2)OC(O3)(F)F",null,"N#Cc1c[nH]cc1-c1cccc2c1OC(F)(F)O2","N#Cc1c(c[nH]c1)-c2c3c(ccc2)OC(O3)(F)F",null,"N#Cc1c[nH]cc1-c1cccc2c1OC(F)(F)O2","N#Cc1c(c[nH]c1)-c2c3c(ccc2)OC(O3)(F)F",null,"N#Cc1c[nH]cc1-c1cccc2c1OC(F)(F)O2","N#Cc1c(c[nH]c1)-c2c3c(ccc2)OC(O3)(F)F"]
[5678,"131807-57-3","CC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccccc2)C1=O","CC1(C(N(C(O1)=O)Nc2ccccc2)=O)c3ccc(cc3)Oc4ccccc4",null,"CC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccccc2)C1=O","CC1(C(N(C(O1)=O)Nc2ccccc2)=O)c3ccc(cc3)Oc4ccccc4",null,"CC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccccc2)C1=O","CC1(C(N(C(O1)=O)Nc2ccccc2)=O)c3ccc(cc3)Oc4ccccc4",null,"CC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccccc2)C1=O","CC1(C(N(C(O1)=O)Nc2ccccc2)=O)c3ccc(cc3)Oc4ccccc4"]
[5679,"131860-33-8","COC=C(C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1","COC=C(C(=O)OC)c1c(cccc1)Oc2ncnc(c2)Oc3c(cccc3)C#N",null,"COC=C(C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1","COC=C(C(=O)OC)c1c(cccc1)Oc2ncnc(c2)Oc3c(cccc3)C#N",null,"COC=C(C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1","COC=C(C(=O)OC)c1c(cccc1)Oc2ncnc(c2)Oc3c(cccc3)C#N",null,"COC=C(C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1","COC=C(C(=O)OC)c1c(cccc1)Oc2ncnc(c2)Oc3c(cccc3)C#N"]
[5680,"131983-72-7","CC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn1cncn1","CC1(C(C(CC1)=Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C",null,"CC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn1cncn1","CC1(C(C(CC1)=Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C",null,"CC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn1cncn1","CC1(C(C(CC1)=Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C",null,"CC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn1cncn1","CC1(C(C(CC1)=Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C"]
[5681,"133220-30-1",{"$nulls":6},"CCC1(CC2(c3cccc(Cl)c3)CO2)C(=O)c2ccccc2C1=O","CCC1(C(c2c(C1=O)cccc2)=O)CC3(OC3)c4cc(ccc4)Cl",null,"CCC1(CC2(c3cccc(Cl)c3)CO2)C(=O)c2ccccc2C1=O","CCC1(C(c2c(C1=O)cccc2)=O)CC3(OC3)c4cc(ccc4)Cl"]
[5682,"133408-50-1",{"$nulls":3},"CNC(=O)C(=NOC)c1ccccc1Oc1ccccc1","CNC(=O)C(=NOC)c1c(cccc1)Oc2ccccc2",{"$nulls":4},"CN=C(O)C(=NOC)c1ccccc1Oc1ccccc1","CN=C(O)C(=NOC)c1c(cccc1)Oc2ccccc2"]
[5683,"135158-54-2","CSC(=O)c1cccc2nnsc12","CSC(=O)c1c2c(ccc1)nns2",null,"CSC(=O)c1cccc2nnsc12","CSC(=O)c1c2c(ccc1)nns2",null,"CSC(=O)c1cccc2nnsc12","CSC(=O)c1c2c(ccc1)nns2",null,"CSC(=O)c1cccc2nnsc12","CSC(=O)c1c2c(ccc1)nns2"]
[5684,"135410-20-7","CC(=NC#N)N(C)Cc1ccc(Cl)nc1","CC(=NC#N)N(C)Cc1cnc(cc1)Cl",null,"CC(=NC#N)N(C)Cc1ccc(Cl)nc1","CC(=NC#N)N(C)Cc1cnc(cc1)Cl",null,"CC(=NC#N)N(C)Cc1ccc(Cl)nc1","CC(=NC#N)N(C)Cc1cnc(cc1)Cl",null,"CC(=NC#N)N(C)Cc1ccc(Cl)nc1","CC(=NC#N)N(C)Cc1cnc(cc1)Cl"]
[5685,"135590-91-9","CCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(C)(C(=O)OCC)C1","CCOC(=O)C=1CC(N(N1)c2c(cc(cc2)Cl)Cl)(C)C(=O)OCC",{"$nulls":4},"CCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(C)(C(=O)OCC)C1","CCOC(=O)C=1CC(N(N1)c2c(cc(cc2)Cl)Cl)(C)C(=O)OCC",null,"CCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(C)(C(=O)OCC)C1","CCOC(=O)C=1CC(N(N1)c2c(cc(cc2)Cl)Cl)(C)C(=O)OCC"]
[5686,"135832-38-1"]
[5687,"135832-39-2"]
[5688,"135832-41-6","NS(=O)(=O)c1ccc(SCCCCO)cc1","NS(=O)(=O)c1ccc(cc1)SCCCCO"]
[5689,"135832-42-7"]
[5690,"135832-45-0"]
[5691,"135832-46-1","NS(=O)(=O)c1ccc(CCCO)cc1","NS(=O)(=O)c1ccc(cc1)CCCO"]
[5692,"135832-47-2"]
[5693,"135832-48-3","NS(=O)(=O)c1ccc(CCCCO)cc1","NS(=O)(=O)c1ccc(cc1)CCCCO"]
[5694,"135832-50-7","NS(=O)(=O)c1ccc(CCCCCO)cc1","NS(=O)(=O)c1ccc(cc1)CCCCCO"]
[5695,"135832-51-8"]
[5696,"135990-29-3","COC(=O)c1cccc(C)c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(N(C)C)n1","COC(=O)c1c(c(ccc1)C)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OCC(F)(F)F)N(C)C",null,"Cc1cccc(C(=O)O)c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(N(C)C)n1","Cc1c(c(ccc1)C(=O)O)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OCC(F)(F)F)N(C)C",null,"COC(=O)c1cccc(C)c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(N(C)C)n1","COC(=O)c1c(c(ccc1)C)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OCC(F)(F)F)N(C)C",null,"Cc1cccc(C(=O)O)c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(N(C)C)n1","Cc1c(c(ccc1)C(=O)O)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OCC(F)(F)F)N(C)C"]
[5697,"136191-64-5","CON=C(C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OC","CON=C(C)c1c(c(ccc1)Oc2nc(cc(n2)OC)OC)C(=O)OC",null,"CON=C(C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OC","CON=C(C)c1c(c(ccc1)Oc2nc(cc(n2)OC)OC)C(=O)OC",null,"CON=C(C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OC","CON=C(C)c1c(c(ccc1)Oc2nc(cc(n2)OC)OC)C(=O)OC",null,"CON=C(C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OC","CON=C(C)c1c(c(ccc1)Oc2nc(cc(n2)OC)OC)C(=O)OC"]
[5698,"136426-54-5","O=c1c2cc(F)ccc2nc(-n2cncn2)n1-c1ccc(Cl)cc1Cl","O=c1n(c(nc2c1cc(F)cc2)-n3ncnc3)-c4c(cc(cc4)Cl)Cl",null,"O=c1c2cc(F)ccc2nc(-n2cncn2)n1-c1ccc(Cl)cc1Cl","O=c1n(c(nc2c1cc(F)cc2)-n3ncnc3)-c4c(cc(cc4)Cl)Cl",null,"O=c1c2cc(F)ccc2nc(-n2cncn2)n1-c1ccc(Cl)cc1Cl","O=c1n(c(nc2c1cc(F)cc2)-n3ncnc3)-c4c(cc(cc4)Cl)Cl",null,"O=c1c2cc(F)ccc2nc(-n2cncn2)n1-c1ccc(Cl)cc1Cl","O=c1n(c(nc2c1cc(F)cc2)-n3ncnc3)-c4c(cc(cc4)Cl)Cl"]
[5699,"136849-15-5","COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccccc2C(=O)C2CC2)n1","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Nc2c(cccc2)C(=O)C3CC3",null,"COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccccc2C(=O)C2CC2)n1","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Nc2c(cccc2)C(=O)C3CC3",null,"COc1cc(OC)nc(N=C(O)NS(=O)(=O)Nc2ccccc2C(=O)C2CC2)n1","COc1nc(nc(c1)OC)N=C(O)NS(=O)(=O)Nc2c(cccc2)C(=O)C3CC3",null,"COc1cc(OC)nc(N=C(O)NS(=O)(=O)Nc2ccccc2C(=O)C2CC2)n1","COc1nc(nc(c1)OC)N=C(O)NS(=O)(=O)Nc2c(cccc2)C(=O)C3CC3"]
[5700,"136986-57-7",{"$nulls":6},"CCOC(=O)C(=Cc1ccc2c(c1)OCO2)N=CO","CCOC(=O)C(=Cc1cc2c(cc1)OCO2)N=CO",null,"CCOC(=O)C(=Cc1ccc2c(c1)OCO2)N=CO","CCOC(=O)C(=Cc1cc2c(cc1)OCO2)N=CO"]
[5701,"136986-58-8",{"$nulls":6},"CCOC(=O)C(=Cc1ccc(OC)c(OC)c1)N=CO","CCOC(=O)C(=Cc1cc(c(cc1)OC)OC)N=CO",null,"CCOC(=O)C(=Cc1ccc(OC)c(OC)c1)N=CO","CCOC(=O)C(=Cc1cc(c(cc1)OC)OC)N=CO"]
[5702,"136986-59-9",{"$nulls":6},"CCOC(=O)C(=Cc1ccc(OC)cc1)N=CO","CCOC(=O)C(=Cc1ccc(cc1)OC)N=CO",null,"CCOC(=O)C(=Cc1ccc(OC)cc1)N=CO","CCOC(=O)C(=Cc1ccc(cc1)OC)N=CO"]
[5703,"136986-60-2",{"$nulls":6},"CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)N=CO","CCOC(=O)C(=Cc1ccc(cc1)[N+](=O)[O-])N=CO",null,"CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)N=CO","CCOC(=O)C(=Cc1ccc(cc1)[N+](=O)[O-])N=CO"]
[5704,"136986-61-3",{"$nulls":6},"CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)N=CO","CCOC(=O)C(=Cc1cc(ccc1)[N+](=O)[O-])N=CO",null,"CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)N=CO","CCOC(=O)C(=Cc1cc(ccc1)[N+](=O)[O-])N=CO"]
[5705,"136986-62-4",{"$nulls":6},"CCOC(=O)C(=Cc1ccc(Cl)cc1)N=CO","CCOC(=O)C(=Cc1ccc(cc1)Cl)N=CO",null,"CCOC(=O)C(=Cc1ccc(Cl)cc1)N=CO","CCOC(=O)C(=Cc1ccc(cc1)Cl)N=CO"]
[5706,"136991-36-1"]
[5707,"137013-29-7",{"$nulls":6},"CCOC(=O)C(=Cc1cccc(Cl)c1)N=CO","CCOC(=O)C(=Cc1cc(ccc1)Cl)N=CO",null,"CCOC(=O)C(=Cc1cccc(Cl)c1)N=CO","CCOC(=O)C(=Cc1cc(ccc1)Cl)N=CO"]
[5708,"138261-41-3","O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1","O=[N+]([O-])NC=1N(CCN1)Cc2cnc(cc2)Cl",null,"O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1","O=[N+]([O-])NC=1N(CCN1)Cc2cnc(cc2)Cl",null,"O=[N+]([O-])N=C1NCCN1Cc1ccc(Cl)nc1","O=[N+]([O-])N=C1N(CCN1)Cc2cnc(cc2)Cl",null,"O=[N+]([O-])N=C1NCCN1Cc1ccc(Cl)nc1","O=[N+]([O-])N=C1N(CCN1)Cc2cnc(cc2)Cl"]
[5709,"139528-85-1","COc1cc(OC)n2nc(S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl)nc2n1","COc1nc2n(c(c1)OC)nc(S(=O)(=O)Nc3c(c(ccc3Cl)C)Cl)n2",null,"COc1cc(OC)n2nc(S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl)nc2n1","COc1nc2n(c(c1)OC)nc(S(=O)(=O)Nc3c(c(ccc3Cl)C)Cl)n2",null,"COc1cc(OC)n2nc(S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl)nc2n1","COc1nc2n(c(c1)OC)nc(S(=O)(=O)Nc3c(c(ccc3Cl)C)Cl)n2",null,"COc1cc(OC)n2nc(S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl)nc2n1","COc1nc2n(c(c1)OC)nc(S(=O)(=O)Nc3c(c(ccc3Cl)C)Cl)n2"]
[5710,"141112-29-0","CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1","CS(=O)(=O)c1c(ccc(c1)C(F)(F)F)C(=O)c2c(onc2)C3CC3",null,"CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1","CS(=O)(=O)c1c(ccc(c1)C(F)(F)F)C(=O)c2c(onc2)C3CC3",null,"CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1","CS(=O)(=O)c1c(ccc(c1)C(F)(F)F)C(=O)c2c(onc2)C3CC3",null,"CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1","CS(=O)(=O)c1c(ccc(c1)C(F)(F)F)C(=O)c2c(onc2)C3CC3"]
[5711,"141776-32-1","CCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCS(=O)(=O)c1c(n2c(n1)cccc2)S(=O)(=O)NC(=O)Nc3nc(cc(n3)OC)OC",null,"CCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCS(=O)(=O)c1c(n2c(n1)cccc2)S(=O)(=O)NC(=O)Nc3nc(cc(n3)OC)OC",null,"CCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCS(=O)(=O)c1c(n2c(n1)cccc2)S(=O)(=O)NC(=O)Nc3nc(cc(n3)OC)OC",null,"CCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCS(=O)(=O)c1c(n2c(n1)cccc2)S(=O)(=O)NC(=O)Nc3nc(cc(n3)OC)OC"]
[5712,"142459-58-3","CC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1","CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c2ccc(cc2)F",null,"CC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1","CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c2ccc(cc2)F",null,"CC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1","CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c2ccc(cc2)F",null,"CC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1","CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c2ccc(cc2)F"]
[5713,"143390-89-0","CON=C(C(=O)OC)c1ccccc1COc1ccccc1C","CON=C(C(=O)OC)c1c(cccc1)COc2c(cccc2)C",null,"CON=C(C(=O)OC)c1ccccc1COc1ccccc1C","CON=C(C(=O)OC)c1c(cccc1)COc2c(cccc2)C",{"$nulls":4},"CON=C(C(=O)OC)c1ccccc1COc1ccccc1C","CON=C(C(=O)OC)c1c(cccc1)COc2c(cccc2)C"]
[5714,"144651-06-9","Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC2COC2)n1","Cc1nc(nc(c1)C)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC3COC3",null,"Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC2COC2)n1","Cc1nc(nc(c1)C)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC3COC3",null,"Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC2COC2)n1","Cc1nc(nc(c1)C)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC3COC3",null,"Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC2COC2)n1","Cc1nc(nc(c1)C)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC3COC3"]
[5715,"145348-19-2",{"$nulls":3},"COC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CC1","COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C",{"$nulls":4},"COC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CC1","COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C"]
[5716,"145348-20-5",{"$nulls":3},"CCOC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CC1","CCOC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C",{"$nulls":4},"CCOC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CC1","CCOC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C"]
[5717,"145348-21-6",{"$nulls":3},"Cc1ccc(S(=O)(=O)C2(C(=O)OC(C)C)CC2)cc1","Cc1ccc(cc1)S(=O)(=O)C2(CC2)C(=O)OC(C)C",{"$nulls":4},"Cc1ccc(S(=O)(=O)C2(C(=O)OC(C)C)CC2)cc1","Cc1ccc(cc1)S(=O)(=O)C2(CC2)C(=O)OC(C)C"]
[5718,"145348-22-7",{"$nulls":3},"COC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1","COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",{"$nulls":4},"COC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1","COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl"]
[5719,"145348-23-8",{"$nulls":3},"CC(C)OC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1","CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",{"$nulls":4},"CC(C)OC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1","CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl"]
[5720,"145348-24-9",{"$nulls":3},"CC(C)(C)OC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1","CC(C)(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",{"$nulls":4},"CC(C)(C)OC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1","CC(C)(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl"]
[5721,"145348-25-0",{"$nulls":3},"COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CC1","COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Br",{"$nulls":4},"COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CC1","COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Br"]
[5722,"145348-26-1",{"$nulls":3},"COC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1","COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},"COC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1","COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]"]
[5723,"145348-27-2",{"$nulls":3},"CC(C)OC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1","CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},"CC(C)OC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1","CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]"]
[5724,"147059-72-1","NC1C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC12","NC1C2C1CN(c3c(cc4c(n3)n(cc(c4=O)C(=O)O)-c5c(cc(cc5)F)F)F)C2",null,"NC1C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC12","NC1C2C1CN(c3c(cc4c(n3)n(cc(c4=O)C(=O)O)-c5c(cc(cc5)F)F)F)C2",null,"NC1C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC12","NC1C2C1CN(c3c(cc4c(n3)n(cc(c4=O)C(=O)O)-c5c(cc(cc5)F)F)F)C2",null,"NC1C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC12","NC1C2C1CN(c3c(cc4c(n3)n(cc(c4=O)C(=O)O)-c5c(cc(cc5)F)F)F)C2"]
[5725,"147150-35-4",{"$nulls":3},"CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3C(=O)OC)nn12","CCOc1n2c(cc(n1)F)nc(S(=O)(=O)Nc3c(cccc3Cl)C(=O)OC)n2",null,"CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3C(=O)O)nn12","CCOc1n2c(cc(n1)F)nc(S(=O)(=O)Nc3c(cccc3Cl)C(=O)O)n2",null,"CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3C(=O)OC)nn12","CCOc1n2c(cc(n1)F)nc(S(=O)(=O)Nc3c(cccc3Cl)C(=O)OC)n2"]
[5726,"149877-41-8",{"$nulls":3},"COc1ccc(-c2ccccc2)cc1NNC(=O)OC(C)C","COc1c(cc(cc1)-c2ccccc2)NNC(=O)OC(C)C",{"$nulls":4},"COc1ccc(-c2ccccc2)cc1NNC(=O)OC(C)C","COc1c(cc(cc1)-c2ccccc2)NNC(=O)OC(C)C"]
[5727,"153197-14-9",{"$nulls":6},"CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)CO1","CC=1OCN(C(C1c2ccccc2)=O)C(C)(C)c3cc(cc(c3)Cl)Cl",null,"CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)CO1","CC=1OCN(C(C1c2ccccc2)=O)C(C)(C)c3cc(cc(c3)Cl)Cl"]
[5728,"153233-91-1","CCOc1cc(C(C)(C)C)ccc1C1COC(c2c(F)cccc2F)=N1","CCOc1c(ccc(c1)C(C)(C)C)C2N=C(OC2)c3c(cccc3F)F",null,"CCOc1cc(C(C)(C)C)ccc1C1COC(c2c(F)cccc2F)=N1","CCOc1c(ccc(c1)C(C)(C)C)C2N=C(OC2)c3c(cccc3F)F",null,"CCOc1cc(C(C)(C)C)ccc1C1COC(c2c(F)cccc2F)=N1","CCOc1c(ccc(c1)C(C)(C)C)C2N=C(OC2)c3c(cccc3F)F",null,"CCOc1cc(C(C)(C)C)ccc1C1COC(c2c(F)cccc2F)=N1","CCOc1c(ccc(c1)C(C)(C)C)C2N=C(OC2)c3c(cccc3F)F"]
[5729,"154486-27-8"]
[5730,"155999-93-2",{"$nulls":6},"Clc1cccc(Oc2ccc(Cl)cc2Cl)c1","Clc1cc(ccc1)Oc2c(cc(cc2)Cl)Cl",null,"Clc1cccc(Oc2ccc(Cl)cc2Cl)c1","Clc1cc(ccc1)Oc2c(cc(cc2)Cl)Cl"]
[5731,"157683-71-1",{"$nulls":6},"Clc1ccc(Oc2cccc(Cl)c2Cl)cc1","Clc1ccc(cc1)Oc2c(c(ccc2)Cl)Cl",null,"Clc1ccc(Oc2cccc(Cl)c2Cl)cc1","Clc1ccc(cc1)Oc2c(c(ccc2)Cl)Cl"]
[5732,"157683-72-2",{"$nulls":6},"Clc1ccc(Oc2c(Cl)cccc2Cl)cc1","Clc1ccc(cc1)Oc2c(cccc2Cl)Cl",null,"Clc1ccc(Oc2c(Cl)cccc2Cl)cc1","Clc1ccc(cc1)Oc2c(cccc2Cl)Cl"]
[5733,"158237-07-1","CCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCCC1","CCN(C(=O)n1c(n(nn1)-c2c(cccc2)Cl)=O)C3CCCCC3",null,"CCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCCC1","CCN(C(=O)n1c(n(nn1)-c2c(cccc2)Cl)=O)C3CCCCC3",null,"CCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCCC1","CCN(C(=O)n1c(n(nn1)-c2c(cccc2)Cl)=O)C3CCCCC3",null,"CCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCCC1","CCN(C(=O)n1c(n(nn1)-c2c(cccc2)Cl)=O)C3CCCCC3"]
[5734,"160790-03-4",{"$nulls":3},"CC(C)OC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1","CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},"CC(C)OC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1","CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]"]
[5735,"160790-04-5",{"$nulls":3},"CC(C)OC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1","CC(C)OC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},"CC(C)OC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1","CC(C)OC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]"]
[5736,"160790-05-6",{"$nulls":3},"CC(C)OC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCCC1","CC(C)OC(=O)C1(CCCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},"CC(C)OC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCCC1","CC(C)OC(=O)C1(CCCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]"]
[5737,"160790-06-7",{"$nulls":3},"COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCC1","COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Br",{"$nulls":4},"COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCC1","COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Br"]
[5738,"160790-07-8",{"$nulls":3},"COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1","COC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Br",{"$nulls":4},"COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1","COC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Br"]
[5739,"160790-08-9",{"$nulls":3},"COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCCC1","COC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)Br",{"$nulls":4},"COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCCC1","COC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)Br"]
[5740,"160790-09-0",{"$nulls":3},"COC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCC1","COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Cl",{"$nulls":4},"COC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCC1","COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Cl"]
[5741,"160790-10-3",{"$nulls":3},"CC(C)OC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1","CC(C)OC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Cl",{"$nulls":4},"CC(C)OC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1","CC(C)OC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Cl"]
[5742,"160790-13-6",{"$nulls":3},"CC(C)OC(=O)C1(S(=O)(=O)c2ccccc2)CCC1","CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccccc2",{"$nulls":4},"CC(C)OC(=O)C1(S(=O)(=O)c2ccccc2)CCC1","CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccccc2"]
[5743,"160790-14-7",{"$nulls":3},"CCOC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCC1","CCOC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)C",{"$nulls":4},"CCOC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCC1","CCOC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)C"]
[5744,"160790-17-0",{"$nulls":3},"COC(=O)C1(S(=O)(=O)c2ccccc2)CCC1","COC(=O)C1(CCC1)S(=O)(=O)c2ccccc2",{"$nulls":4},"COC(=O)C1(S(=O)(=O)c2ccccc2)CCC1","COC(=O)C1(CCC1)S(=O)(=O)c2ccccc2"]
[5745,"160790-18-1",{"$nulls":3},"COC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1","COC(=O)C1(CCCC1)S(=O)(=O)c2ccccc2",{"$nulls":4},"COC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1","COC(=O)C1(CCCC1)S(=O)(=O)c2ccccc2"]
[5746,"160790-19-2",{"$nulls":3},"COC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1","COC(=O)C1(CCCCC1)S(=O)(=O)c2ccccc2",{"$nulls":4},"COC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1","COC(=O)C1(CCCCC1)S(=O)(=O)c2ccccc2"]
[5747,"160791-64-0","CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccc(Br)cc2)c1)c1ccc(OC(F)F)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccc(cc2)Br)c3ccc(cc3)OC(F)F",{"$nulls":7},"CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccc(Br)cc2)c1)c1ccc(OC(F)F)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccc(cc2)Br)c3ccc(cc3)OC(F)F"]
[5748,"161050-58-4",{"$nulls":3},"COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C","COc1c(c(ccc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C)C",{"$nulls":4},"COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C","COc1c(c(ccc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C)C"]
[5749,"162853-24-9",{"$nulls":6},"Clc1cc(Cl)c(Cl)c(Oc2ccccc2)c1","Clc1cc(c(c(c1)Cl)Cl)Oc2ccccc2",null,"Clc1cc(Cl)c(Cl)c(Oc2ccccc2)c1","Clc1cc(c(c(c1)Cl)Cl)Oc2ccccc2"]
[5750,"162853-25-0",{"$nulls":6},"Clc1ccc(Cl)c(Oc2ccccc2)c1Cl","Clc1c(c(c(cc1)Cl)Oc2ccccc2)Cl",null,"Clc1ccc(Cl)c(Oc2ccccc2)c1Cl","Clc1c(c(c(cc1)Cl)Oc2ccccc2)Cl"]
[5751,"174514-07-9","CC(C)OC(=O)c1cc(-c2nn(C)c(C(F)(F)F)c2Br)c(F)cc1Cl","CC(C)OC(=O)c1c(cc(c(c1)-c2c(c(n(n2)C)C(F)(F)F)Br)F)Cl",null,"CC(C)OC(=O)c1cc(-c2nn(C)c(C(F)(F)F)c2Br)c(F)cc1Cl","CC(C)OC(=O)c1c(cc(c(c1)-c2c(c(n(n2)C)C(F)(F)F)Br)F)Cl",null,"CC(C)OC(=O)c1cc(-c2nn(C)c(C(F)(F)F)c2Br)c(F)cc1Cl","CC(C)OC(=O)c1c(cc(c(c1)-c2c(c(n(n2)C)C(F)(F)F)Br)F)Cl",null,"CC(C)OC(=O)c1cc(-c2nn(C)c(C(F)(F)F)c2Br)c(F)cc1Cl","CC(C)OC(=O)c1c(cc(c(c1)-c2c(c(n(n2)C)C(F)(F)F)Br)F)Cl"]
[5752,"185676-84-0",{"$nulls":9},"CC#CCOC(C)c1ccc(OC)c(OC)c1","CC#CCOC(C)c1cc(c(cc1)OC)OC"]
[5753,"336111-17-2",{"$nulls":6},"CCOC(=O)C(=Cc1ccccc1Cl)N=CO","CCOC(=O)C(=Cc1c(cccc1)Cl)N=CO",null,"CCOC(=O)C(=Cc1ccccc1Cl)N=CO","CCOC(=O)C(=Cc1c(cccc1)Cl)N=CO"]
[5754,"336111-18-3","CCOC(=O)C(=Cc1ccoc1)NC=O","CCOC(=O)C(=Cc1cocc1)NC=O"]
[5755,"SRC002-52-9","CCC(CC)O[N+](=O)[O-]","CCC(CC)O[N+](=O)[O-]"]
[5756,"SRC003-41-9","O=Cc1cc(O)cc(Br)c1","O=Cc1cc(cc(c1)O)Br"]
[5757,"SRC003-42-0"]
[5758,"SRC003-56-1"]
[5759,"SRC003-56-2"]
[5760,"SRC003-67-2"]
[5761,"SRC003-67-3"]
[5762,"SRC003-67-4"]
[5763,"SRC003-67-5",{"$nulls":6},"Nc1c(OC2C=CC(N3CCCCCC3=O)=CC2)cc(O)c2c1C(=O)c1ccccc1C2=O","Nc1c2c(c(cc1OC3CC=C(C=C3)N4C(CCCCC4)=O)O)C(c5c(C2=O)cccc5)=O"]
[5764,"SRC003-73-3"]

{"sheet":"Counterions_CompTox_CAS","index":7,"n_rows":5762,"n_cols":12,"rows_kept":5762}
["Original ID","smiles","CAS_NO","Main molecule","smiles - Neutralized","Counterion 1","Counterion 2","Counterion 3","Counterion 4","Molecular Weight","Warnings - Neutralization","Counterion 5"]
[1,"C=O","50-00-0","C=O","C=O",{"$nulls":4},30.010564684,"?"]
[2,"[H][C]12C[CH](C)[C](O)(C(=O)CO)[C]1(C)C[CH](O)[C]1(F)[C]2([H])CCC2=CC(=O)C=C[C]12C","50-02-2","CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",{"$nulls":4},392.19990224800074,"?"]
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[20,"O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12","50-35-1","O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1","O=C1NC(C(CC1)N2C(c3c(C2=O)cccc3)=O)=O",{"$nulls":4},258.06405680000006,"?"]
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[22,null,"50-44-2",{"$nulls":7},""]
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[24,null,"50-48-6",{"$nulls":7},""]
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[27,"[H][C]12C[CH](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[CH](OC)[CH](C(=O)OC)[C]1([H])C[C]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2","50-55-5","COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC","COC(=O)C1C(C(CC2C1CC3N(CCc4c3[nH]c5c4ccc(c5)OC)C2)OC(=O)c6cc(c(c(c6)OC)OC)OC)OC",{"$nulls":4},608.2733808600011,"?"]
[28,"OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O","50-65-7","O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O",{"$nulls":4},325.9861120960002,"?"]
[29,"NCCC1=CNC2=CC=C(O)C=C12","50-67-9","NCCc1c[nH]c2ccc(O)cc12","NCCc1c2c([nH]c1)ccc(O)c2",{"$nulls":4},176.094963004,"?"]
[30,"OC[CH](O)[CH](O)[CH](O)[CH](O)CO","50-70-4","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",{"$nulls":4},182.079038168,"?"]
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[32,"OC(=O)C1=CC(Cl)=CC=C1Cl","50-79-3","O=C(O)c1cc(Cl)ccc1Cl","O=C(O)c1c(ccc(c1)Cl)Cl",{"$nulls":4},189.958834728,"?"]
[33,"[H][C]1(OC(=O)C(O)=C1O)[CH](O)CO","50-81-7","O=C1OC(C(O)CO)C(O)=C1O","O=C1C(=C(C(O1)C(O)CO)O)O",{"$nulls":4},176.032087976,"?"]
[34,"OC(=O)C1=CC(Cl)=C(Cl)C=C1Cl","50-82-8","O=C(O)c1cc(Cl)c(Cl)cc1Cl","O=C(O)c1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},223.919862376,"?"]
[35,"OC(=O)C1=CC=C(Cl)C=C1Cl","50-84-0","O=C(O)c1ccc(Cl)cc1Cl","O=C(O)c1c(cc(cc1)Cl)Cl",{"$nulls":4},189.958834728,"?"]
[36,"CC1=CC(O)=C(C=C1)C(O)=O","50-85-1","Cc1ccc(C(=O)O)c(O)c1","Cc1cc(c(cc1)C(=O)O)O",{"$nulls":4},152.047344116,"?"]
[37,"OC[CH](O)[CH](O)[CH](O)[CH](O)C=O","50-99-7","O=CC(O)C(O)C(O)C(O)CO","O=CC(O)C(O)C(O)C(O)CO",{"$nulls":4},180.063388104,"?"]
[38,"CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC","51-03-6","CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2","CCCCOCCOCCOCc1c(cc2c(c1)OCO2)CCC",{"$nulls":4},338.2093240600009,"?"]
[39,"N1C=NC2=C1C=CC=C2","51-17-2","c1ccc2[nH]cnc2c1","c1cc2c(cc1)[nH]cn2",{"$nulls":4},118.053098192,"?"]
[40,"BrC1=CNC(=O)NC1=O","51-20-7","O=c1[nH]cc(Br)c(=O)[nH]1","O=c1[nH]c(c(c[nH]1)Br)=O",{"$nulls":4},189.937789436,"?"]
[41,"FC1=CNC(=O)NC1=O","51-21-8","O=c1[nH]cc(F)c(=O)[nH]1","O=c1[nH]c(c(c[nH]1)F)=O",{"$nulls":4},130.017855556,"?"]
[42,"OC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O","51-28-5","O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},184.012021228,"?"]
[43,"CN1[CH]2C[CH](C[CH]1[CH]1O[CH]21)OC(=O)[CH](CO)C1=CC=CC=C1","51-34-3","CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12","CN1C2CC(CC1C3C2O3)OC(=O)C(CO)c4ccccc4",{"$nulls":4},303.14705815200057,"?"]
[44,null,"51-35-4",{"$nulls":7},""]
[45,"OC(=O)C1=CC(Cl)=CC(Cl)=C1","51-36-5","O=C(O)c1cc(Cl)cc(Cl)c1","O=C(O)c1cc(cc(c1)Cl)Cl",{"$nulls":4},189.958834728,"?"]
[46,null,"51-42-3",{"$nulls":7},""]
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[48,"OC(=O)C1=CC=C(Cl)C(Cl)=C1","51-44-5","O=C(O)c1ccc(Cl)c(Cl)c1","O=C(O)c1cc(c(cc1)Cl)Cl",{"$nulls":4},189.958834728,"?"]
[49,"CCCC1=CC(=O)NC(=S)N1","51-52-5","CCCc1cc(=O)[nH]c(=S)[nH]1","CCCc1[nH]c([nH]c(c1)=O)=S",{"$nulls":4},170.05138394,"?"]
[50,"CN1[CH]2CC[CH]1C[CH](C2)OC(=O)C(CO)C1=CC=CC=C1","51-55-8","CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3",{"$nulls":4},289.16779359600065,"?"]
[51,"COC1=CC=C(NC(C)=O)C=C1","51-66-1","COc1ccc(NC(C)=O)cc1","COc1ccc(cc1)NC(C)=O",{"$nulls":4},165.078978592,"?"]
[52,"NCCC1=CC=C(O)C=C1","51-67-2","NCCc1ccc(O)cc1","NCCc1ccc(cc1)O",{"$nulls":4},137.084063972,"?"]
[53,"CN(CCCl)CCCl","51-75-2","CN(CCCl)CCCl","CN(CCCl)CCCl",{"$nulls":4},155.026854712,"?"]
[54,"CCOC(N)=O","51-79-6","CCOC(N)=O","CCOC(N)=O",{"$nulls":4},89.047678464,"?"]
[55,"CC(=O)O[C]1(CC[CH]2[CH]3CCC4=CC(=O)CC[CH]4[CH]3CC[C]12C)C#C","51-98-9","C#CC1(OC(C)=O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)OC(C)=O",{"$nulls":4},340.20384475600076,"?"]
[56,"CC(=O)S[CH]1CC2=CC(=O)CC[C]2(C)[CH]2CC[C]3(C)[CH](CC[C]33CCC(=O)O3)[CH]12","52-01-7","CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12","CC(=O)SC1C2C(C3(C(C1)=CC(=O)CC3)C)CCC4(C5(CCC42)OC(CC5)=O)C",{"$nulls":4},416.2021305040008,"?"]
[57,"[H][C]12CC[C](O)(C(=O)COC(C)=O)[C]1(C)C[CH](O)[C]1([H])[C]2([H])CCC2=CC(=O)C=C[C]12C","52-21-1","CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O",{"$nulls":4},402.20423868000074,"?"]
[58,"S=P(N1CC1)(N1CC1)N1CC1","52-24-4","S=P(N1CC1)(N1CC1)N1CC1","S=P(N1CC1)(N2CC2)N3CC3",{"$nulls":4},189.04895501399997,"?"]
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[61,"C=CCC1(CC=C)C(=O)NC(=O)NC1=O","52-43-7","C=CCC1(CC=C)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CC=C",{"$nulls":4},208.084792244,"?"]
[62,"OCC(Br)(CO)[N+]([O-])=O","52-51-7","O=[N+]([O-])C(Br)(CO)CO","O=[N+]([O-])C(Br)(CO)CO",{"$nulls":4},198.948019772,"?"]
[63,"NC1(CCCC1)C(O)=O","52-52-8","NC1(C(=O)O)CCCC1","NC1(CCCC1)C(=O)O",{"$nulls":4},129.078978592,"?"]
[64,null,"52-67-5",{"$nulls":7},""]
[65,"COP(=O)(OC)C(O)C(Cl)(Cl)Cl","52-68-6","COP(=O)(OC)C(O)C(Cl)(Cl)Cl","COP(=O)(OC)C(O)C(Cl)(Cl)Cl",{"$nulls":4},255.92257840599999,"?"]
[66,"OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1","52-86-8","O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Cl)c3ccc(cc3)F",{"$nulls":4},375.1401348760007,"?"]
[67,"N[CH](CS)C(O)=O","52-90-4","NC(CS)C(=O)O","NC(CS)C(=O)O",{"$nulls":4},121.019749464,"?"]
[68,"C[C]12CC(=O)[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[C]2(O)C(=O)CO","53-06-5","CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)=O)(C(CC4)(O)C(=O)CO)C",{"$nulls":4},360.1936739960007,"?"]
[69,"C[C]12CC[CH]3[CH](CCC4=C3C=CC(O)=C4)[CH]1CCC2=O","53-16-7","CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2=O",{"$nulls":4},270.1619799440004,"?"]
[70,"ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=C(Cl)C=CC=C1","53-19-0","Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)Cl",{"$nulls":4},317.95366104000027,"?"]
[71,"C[C]12CC[CH]3[CH](CC[CH]4C[CH](O)CC[C]34C)[CH]1CCC2=O","53-41-8","CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O",{"$nulls":4},290.22458020000084,"?"]
[72,"C[C]12CC[CH]3[CH](CC=C4C[CH](O)CC[C]34C)[CH]1CCC2=O","53-43-0","CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(=CC3)CC(O)CC4)C)CCC2=O",{"$nulls":4},288.2089301360008,"?"]
[73,"C1=CC2=CC=C3C=C4C(C=CC5=CC=CC=C45)=CC3=C2C=C1","53-70-3","c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12","c1cc2c(cc1)c3c(cc2)cc4c5c(ccc4c3)cccc5",{"$nulls":4},278.1095504480004,"?"]
[74,"COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O","53-86-1","COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)c3ccc(cc3)Cl",{"$nulls":4},357.07678567200037,"?"]
[75,"CN1CCC[CH]1C1=CN=CC=C1","54-11-5","CN1CCCC1c1cccnc1","CN1C(CCC1)c2cnccc2",{"$nulls":4},162.115698448,"?"]
[76,"[Na+].OC1=C(C=CC=C1)C([O-])=O","54-21-7","O=C([O-])c1ccccc1O","O=C(O)c1c(cccc1)O","[Na+]",{"$nulls":3},160.0136383,"Structure has been neutralized"]
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[78,"OC[CH]1O[CH](C[CH]1O)N1C=C(I)C(=O)NC1=O","54-42-2","O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1I","O=c1c(cn(c([nH]1)=O)C2OC(C(C2)O)CO)I",{"$nulls":4},353.9712694520003,"?"]
[79,"NNC(=O)C1=CC=NC=C1","54-85-3","NNC(=O)c1ccncc1","NNC(=O)c1ccncc1",{"$nulls":4},137.058911844,"?"]
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[205,null,"62-37-3",{"$nulls":7},""]
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[207,"CCOC1=CC=C(NC(C)=O)C=C1","62-44-2","CCOc1ccc(NC(C)=O)cc1","CCOc1ccc(cc1)NC(C)=O",{"$nulls":4},179.094628656,"?"]
[208,"NC1=CC=CC=C1","62-53-3","Nc1ccccc1","Nc1ccccc1",{"$nulls":4},93.057849224,"?"]
[209,"CC(N)=S","62-55-5","CC(N)=S","CC(N)=S",{"$nulls":4},75.01427016,"?"]
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[226,"OC=O","64-18-6","O=CO","O=CO",{"$nulls":4},46.005479304,"?"]
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[230,"CCOS(=O)(=O)OCC","64-67-5","CCOS(=O)(=O)OCC","CCOS(=O)(=O)OCC",{"$nulls":4},154.0299798,"?"]
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[238,"CSCC[CH](NC(C)=O)C(O)=O","65-82-7","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",{"$nulls":4},191.061614276,"?"]
[239,"OC(=O)C1=CC=CC=C1","65-85-0","O=C(O)c1ccccc1","O=C(O)c1ccccc1",{"$nulls":4},122.036779432,"?"]
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[242,"O=C1NC=CC(=O)N1","66-22-8","O=c1cc[nH]c(=O)[nH]1","O=c1[nH]c([nH]cc1)=O",{"$nulls":4},112.027277368,"?"]
[243,"CCCCCC=O","66-25-1","CCCCCC=O","CCCCCC=O",{"$nulls":4},100.088815004,"?"]
[244,"C1=CC2=C(N=C1)C1=C(C=CC=N1)C=C2","66-71-7","c1cnc2c(c1)ccc1cccnc12","c1cc2c(nc1)c3c(cc2)cccn3",{"$nulls":4},180.068748256,"?"]
[245,"CC1=C(O)C(C=O)=C(CO)C=N1","66-72-8","Cc1ncc(CO)c(C=O)c1O","Cc1c(c(c(cn1)CO)C=O)O",{"$nulls":4},167.058243148,"?"]
[246,"C[CH]1C[CH](C)C(=O)[CH](C1)[CH](O)CC1CC(=O)NC(=O)C1","66-81-9","CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1","CC1CC(C(C(C1)C)=O)C(O)CC2CC(NC(C2)=O)=O",{"$nulls":4},281.1627082160006,"?"]
[247,"CC(N(CC1=C(N)N=C(C)N=C1)C=O)=C(CCO)SSC(CCO)=C(C)N(CC1=C(N)N=C(C)N=C1)C=O","67-16-3","CC(=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N","CC(=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1c(nc(nc1)C)N)N(C=O)Cc2c(nc(nc2)C)N",{"$nulls":4},562.214443568001,"?"]
[248,"[O-][N+](=O)C1=CC=C(O1)C=NN1CC(=O)NC1=O","67-20-9","O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1","O=C1NC(N(C1)N=Cc2oc(cc2)[N+](=O)[O-])=O",{"$nulls":4},238.033819292,"?"]
[249,"CC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O","67-28-7","CC(=O)NN=Cc1ccc([N+](=O)[O-])o1","CC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]",{"$nulls":4},197.043655704,"?"]
[250,"CO","67-56-1","CO","CO",{"$nulls":4},32.026214748,"?"]
[251,"CC(C)O","67-63-0","CC(C)O","CC(C)O",{"$nulls":4},60.057514876,"?"]
[252,"CC(C)=O","67-64-1","CC(C)=O","CC(C)=O",{"$nulls":4},58.041864812,"?"]
[253,"ClC(Cl)Cl","67-66-3","ClC(Cl)Cl","ClC(Cl)Cl",{"$nulls":4},117.91438307199999,"?"]
[254,"CS(C)=O","67-68-5","CS(C)=O","CS(C)=O",{"$nulls":4},78.013935812,"?"]
[255,"ClC(Cl)(Cl)C(Cl)(Cl)Cl","67-72-1","ClC(Cl)(Cl)C(Cl)(Cl)Cl","ClC(Cl)(Cl)C(Cl)(Cl)Cl",{"$nulls":4},233.81311608,"?"]
[256,"CC(=O)OCC(=O)[C]1(O)[CH](C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]12C)OC(C)=O","67-78-7","CC(=O)OCC(=O)C1(O)C(OC(C)=O)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1OC(C)=O)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O",{"$nulls":4},478.20029617200083,"?"]
[257,"CN1C(=O)[C]23CC4=CC=C[CH](O)[CH]4N2C(=O)[C]1(CO)SS3","67-99-2","CN1C(=O)C23CC4=CC=CC(O)C4N2C(=O)C1(CO)SS3","CN1C2(C(N3C(C1=O)(SS2)CC=4C3C(C=CC4)O)=O)CO",{"$nulls":4},326.0394989280004,"?"]
[258,"OC(=O)CS","68-11-1","O=C(O)CS","O=C(O)CS",{"$nulls":4},91.993200368,"?"]
[259,"CN(C)C=O","68-12-2","CN(C)C=O","CN(C)C=O",{"$nulls":4},73.052763844,"?"]
[260,null,"68-19-9",{"$nulls":7},""]
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[262,"NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=N1","68-35-9","Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",{"$nulls":4},250.05244656,"?"]
[263,"O=C1NC=NC2=C1NC=N2","68-94-0","O=c1[nH]cnc2nc[nH]c12","O=c1c2c(nc[nH]1)nc[nH]2",{"$nulls":4},136.038510748,"?"]
[264,"CC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C","68-96-2","CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O",{"$nulls":4},330.2194948200008,"?"]
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[285,"CCCCCO","71-41-0","CCCCCO","CCCCCO",{"$nulls":4},88.088815004,"?"]
[286,"C1=CC=CC=C1","71-43-2","c1ccccc1","c1ccccc1",{"$nulls":4},78.046950192,"?"]
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[298,null,"72-56-0",{"$nulls":7},""]
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[305,"OC(=O)C1=CC=C(Cl)C=C1","74-11-3","O=C(O)c1ccc(Cl)cc1","O=C(O)c1ccc(cc1)Cl",{"$nulls":4},155.99780708,"?"]
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[307,"C","74-82-8","C","C",{"$nulls":4},16.031300127999998,"?"]
[308,"CBr","74-83-9","CBr","CBr",{"$nulls":4},93.941812196,"?"]
[309,"CC","74-84-0","CC","CC",{"$nulls":4},30.046950191999997,"?"]
[310,"C=C","74-85-1","C=C","C=C",{"$nulls":4},28.031300127999998,"?"]
[311,"C#C","74-86-2","C#C","C#C",{"$nulls":4},26.015650064,"?"]
[312,"CCl","74-87-3","CCl","CCl",{"$nulls":4},49.992327775999996,"?"]
[313,"CI","74-88-4","CI","CI",{"$nulls":4},141.927948096,"?"]
[314,"CN","74-89-5","CN","CN",{"$nulls":4},31.042199159999996,"?"]
[315,"C#N","74-90-8","C#N","C#N",{"$nulls":4},27.010899031999998,"?"]
[316,"CS","74-93-1","CS","CS",{"$nulls":4},48.003371128,"?"]
[317,"BrCBr","74-95-3","BrCBr","BrCBr",{"$nulls":4},171.852324264,"?"]
[318,"CCBr","74-96-4","CCBr","CCBr",{"$nulls":4},107.95746226,"?"]
[319,"ClCBr","74-97-5","ClCBr","ClCBr",{"$nulls":4},127.902839844,"?"]
[320,"CCC","74-98-6","CCC","CCC",{"$nulls":4},44.062600255999996,"?"]
[321,"CC#C","74-99-7","C#CC","C#CC",{"$nulls":4},40.031300128,"?"]
[322,"CCCl","75-00-3","CCCl","CCCl",{"$nulls":4},64.00797784,"?"]
[323,"ClC=C","75-01-4","C=CCl","C=CCl",{"$nulls":4},61.992327775999996,"?"]
[324,"CCI","75-03-6","CCI","CCI",{"$nulls":4},155.94359816,"?"]
[325,"CCN","75-04-7","CCN","CCN",{"$nulls":4},45.057849223999995,"?"]
[326,"CC#N","75-05-8","CC#N","CC#N",{"$nulls":4},41.026549096,"?"]
[327,"CC=O","75-07-0","CC=O","CC=O",{"$nulls":4},44.026214748,"?"]
[328,"CCS","75-08-1","CCS","CCS",{"$nulls":4},62.019021192,"?"]
[329,"ClCCl","75-09-2","ClCCl","ClCCl",{"$nulls":4},83.953355424,"?"]
[330,"ICI","75-11-6","ICI","ICI",{"$nulls":4},267.82459606400005,"?"]
[331,"NC=O","75-12-7","NC=O","NC=O",{"$nulls":4},45.021463716,"?"]
[332,"S=C=S","75-15-0","S=C=S","S=C=S",{"$nulls":4},75.944142,"?"]
[333,null,"75-17-2",{"$nulls":7},""]
[334,"CSC","75-18-3","CSC","CSC",{"$nulls":4},62.019021192,"?"]
[335,"C1CC1","75-19-4","C1CC1","C1CC1",{"$nulls":4},42.046950192,"?"]
[336,"C1CO1","75-21-8","C1CO1","C1OC1",{"$nulls":4},44.026214748,"?"]
[337,"BrC(Br)Br","75-25-2","BrC(Br)Br","BrC(Br)Br",{"$nulls":4},249.762836332,"?"]
[338,"CC(C)Br","75-26-3","CC(C)Br","CC(C)Br",{"$nulls":4},121.973112324,"?"]
[339,"ClC(Cl)Br","75-27-4","ClC(Cl)Br","ClC(Cl)Br",{"$nulls":4},161.863867492,"?"]
[340,"CC(C)C","75-28-5","CC(C)C","CC(C)C",{"$nulls":4},58.078250319999995,"?"]
[341,"CC(C)Cl","75-29-6","CC(C)Cl","CC(C)Cl",{"$nulls":4},78.023627904,"?"]
[342,"CC(C)I","75-30-9","CC(C)I","CC(C)I",{"$nulls":4},169.959248224,"?"]
[343,"CC(C)N","75-31-0","CC(C)N","CC(C)N",{"$nulls":4},59.073499287999994,"?"]
[344,"CC(Cl)Cl","75-34-3","CC(Cl)Cl","CC(Cl)Cl",{"$nulls":4},97.969005488,"?"]
[345,"ClC(Cl)=C","75-35-4","C=C(Cl)Cl","C=C(Cl)Cl",{"$nulls":4},95.953355424,"?"]
[346,"CC(F)F","75-37-6","CC(F)F","CC(F)F",{"$nulls":4},66.028106568,"?"]
[347,"FC(F)=C","75-38-7","C=C(F)F","C=C(F)F",{"$nulls":4},64.012456504,"?"]
[348,"FC(Cl)Cl","75-43-4","FC(Cl)Cl","FC(Cl)Cl",{"$nulls":4},101.943933612,"?"]
[349,"FC(F)Cl","75-45-6","FC(F)Cl","FC(F)Cl",{"$nulls":4},85.973484152,"?"]
[350,"FC(F)F","75-46-7","FC(F)F","FC(F)F",{"$nulls":4},70.003034692,"?"]
[351,"IC(I)I","75-47-8","IC(I)I","IC(I)I",{"$nulls":4},393.721244032,"?"]
[352,"CN(C)C","75-50-3","CN(C)C","CN(C)C",{"$nulls":4},59.073499287999994,"?"]
[353,"C[N+]([O-])=O","75-52-5","C[N+](=O)[O-]","C[N+](=O)[O-]",{"$nulls":4},61.016378336,"?"]
[354,"CC1CN1","75-55-8","CC1CN1","CC1NC1",{"$nulls":4},57.057849223999995,"?"]
[355,"CC1CO1","75-56-9","CC1CO1","CC1OC1",{"$nulls":4},58.041864812,"?"]
[356,"C[As](C)(O)=O","75-60-5","C[As](C)(=O)O","C[As](C)(=O)O",{"$nulls":4},137.966200964,"?"]
[357,"FC(F)(F)Br","75-63-8","FC(F)(F)Br","FC(F)(F)Br",{"$nulls":4},147.91354676,"?"]
[358,"CC(C)(C)N","75-64-9","CC(C)(C)N","CC(C)(C)N",{"$nulls":4},73.08914935199999,"?"]
[359,"CC(C)(C)O","75-65-0","CC(C)(C)O","CC(C)(C)O",{"$nulls":4},74.07316494,"?"]
[360,"CC(F)(F)Cl","75-68-3","CC(F)(F)Cl","CC(F)(F)Cl",{"$nulls":4},99.989134216,"?"]
[361,"FC(Cl)(Cl)Cl","75-69-4","FC(Cl)(Cl)Cl","FC(Cl)(Cl)Cl",{"$nulls":4},135.90496126,"?"]
[362,"FC(F)(Cl)Cl","75-71-8","FC(F)(Cl)Cl","FC(F)(Cl)Cl",{"$nulls":4},119.9345118,"?"]
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[364,"FC(F)(F)F","75-73-0","FC(F)(F)F","FC(F)(F)F",{"$nulls":4},87.99361288,"?"]
[365,"CS(O)(=O)=O","75-75-2","CS(=O)(=O)O","CS(=O)(=O)O",{"$nulls":4},95.988114988,"?"]
[366,"C[Si](C)(C)C","75-76-3","C[Si](C)(C)C","C[Si](C)(C)C",{"$nulls":4},88.070826914,"?"]
[367,"OCC(Br)(Br)Br","75-80-9","OCC(Br)(Br)Br","OCC(Br)(Br)Br",{"$nulls":4},279.7734010160001,"?"]
[368,"CCC(C)(C)C","75-83-2","CCC(C)(C)C","CCC(C)(C)C",{"$nulls":4},86.109550448,"?"]
[369,"CC(C)(C)CO","75-84-3","CC(C)(C)CO","CC(C)(C)CO",{"$nulls":4},88.088815004,"?"]
[370,"CCC(C)(C)O","75-85-4","CCC(C)(C)O","CCC(C)(C)O",{"$nulls":4},88.088815004,"?"]
[371,"CC(C)(O)C#N","75-86-5","CC(C)(O)C#N","CC(C)(O)C#N",{"$nulls":4},85.052763844,"?"]
[372,"ClC(Cl)(Cl)C=O","75-87-6","O=CC(Cl)(Cl)Cl","O=CC(Cl)(Cl)Cl",{"$nulls":4},145.909297692,"?"]
[373,"FC(F)(F)CCl","75-88-7","FC(F)(F)CCl","FC(F)(F)CCl",{"$nulls":4},117.979712404,"?"]
[374,"OCC(F)(F)F","75-89-8","OCC(F)(F)F","OCC(F)(F)F",{"$nulls":4},100.013599376,"?"]
[375,"OC(=O)C(Br)(Br)Br","75-96-7","O=C(O)C(Br)(Br)Br","O=C(O)C(Br)(Br)Br",{"$nulls":4},293.75266557200007,"?"]
[376,"CC(=O)C(C)(C)C","75-97-8","CC(=O)C(C)(C)C","CC(=O)C(C)(C)C",{"$nulls":4},100.088815004,"?"]
[377,"CC(C)(C)C(O)=O","75-98-9","CC(C)(C)C(=O)O","CC(C)(C)C(=O)O",{"$nulls":4},102.06807956,"?"]
[378,"CC(Cl)(Cl)C(O)=O","75-99-0","CC(Cl)(Cl)C(=O)O","CC(Cl)(Cl)C(=O)O",{"$nulls":4},141.958834728,"?"]
[379,null,"76-00-6",{"$nulls":7},""]
[380,"ClC(Cl)C(Cl)(Cl)Cl","76-01-7","ClC(Cl)C(Cl)(Cl)Cl","ClC(Cl)C(Cl)(Cl)Cl",{"$nulls":4},199.852088432,"?"]
[381,"OC(=O)C(Cl)(Cl)Cl","76-03-9","O=C(O)C(Cl)(Cl)Cl","O=C(O)C(Cl)(Cl)Cl",{"$nulls":4},161.904212312,"?"]
[382,"OC(=O)C(F)(F)Cl","76-04-0","O=C(O)C(F)(F)Cl","O=C(O)C(F)(F)Cl",{"$nulls":4},129.963313392,"?"]
[383,"OC(=O)C(F)(F)F","76-05-1","O=C(O)C(F)(F)F","O=C(O)C(F)(F)F",{"$nulls":4},113.992863932,"?"]
[384,"[O-][N+](=O)C(Cl)(Cl)Cl","76-06-2","O=[N+]([O-])C(Cl)(Cl)Cl","O=[N+]([O-])C(Cl)(Cl)Cl",{"$nulls":4},162.89946128,"?"]
[385,"FC(F)(Cl)C(Cl)(Cl)Cl","76-11-9","FC(F)(Cl)C(Cl)(Cl)Cl","FC(F)(Cl)C(Cl)(Cl)Cl",{"$nulls":4},201.87221716,"?"]
[386,"FC(Cl)(Cl)C(F)(Cl)Cl","76-12-0","FC(Cl)(Cl)C(F)(Cl)Cl","FC(Cl)(Cl)C(F)(Cl)Cl",{"$nulls":4},201.87221716,"?"]
[387,"FC(F)(Cl)C(F)(Cl)Cl","76-13-1","FC(F)(Cl)C(F)(Cl)Cl","FC(F)(Cl)C(F)(Cl)Cl",{"$nulls":4},185.9017677,"?"]
[388,"FC(F)(Cl)C(F)(F)Cl","76-14-2","FC(F)(Cl)C(F)(F)Cl","FC(F)(Cl)C(F)(F)Cl",{"$nulls":4},169.93131824,"?"]
[389,"FC(F)(F)C(F)(F)Cl","76-15-3","FC(F)(F)C(F)(F)Cl","FC(F)(F)C(F)(F)Cl",{"$nulls":4},153.96086878,"?"]
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[504,"CC(C)(CO)[CH](O)C(=O)NCCCO","81-13-0","CC(C)(CO)C(O)C(=O)NCCCO","CC(C)(CO)C(O)C(=O)NCCCO",{"$nulls":4},205.131408088,"?"]
[505,"CC(=O)C1=C(C)C(=C(C(=C1C)[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O","81-14-1","CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C","CC(=O)c1c(c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C",{"$nulls":4},294.1215716760005,"?"]
[506,"C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3[CH](CC(=O)[C]12C)[C]1(C)CCC(=O)C[CH]1CC3=O","81-23-2","CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3=O)CC(=O)CC4)C)CC2=O)C",{"$nulls":4},402.2406241880009,"?"]
[507,"C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C","81-25-4","CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C",{"$nulls":4},408.2875743800011,"?"]
[508,"OC1=CC(O)=C(O)C2=C1C(=O)C1=C(C=CC=C1)C2=O","81-54-9","O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21","O=C1c2c(C(c3c1cccc3)=O)c(O)c(O)cc2O",{"$nulls":4},256.03717335600004,"?"]
[509,"CC(=O)CC(C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O","81-81-2","CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O","CC(=O)CC(c1ccccc1)c2c(oc3c(c2O)cccc3)=O",{"$nulls":4},308.1048589920004,"?"]
[510,"CC(=O)CC(C1=CC=C(Cl)C=C1)C1=C(O)C2=C(OC1=O)C=CC=C2","81-82-3","CC(=O)CC(c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O","CC(=O)CC(c1ccc(cc1)Cl)c2c(oc3c(c2O)cccc3)=O",{"$nulls":4},342.06588664000043,"?"]
[511,"OC(=O)C1=C(C=CC=C1)C(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1","81-90-3","O=C(O)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1","O=C(O)c1c(cccc1)C(c2ccc(cc2)O)c3ccc(cc3)O",{"$nulls":4},320.1048589920004,"?"]
[512,"COC1=C2OC(C)=CC(=O)C2=C(OC)C2=C1OC=C2","82-02-0","COc1c2occc2c(OC)c2c(=O)cc(C)oc12","COc1c2c(c(c3c1occ3)OC)c(=O)cc(C)o2",{"$nulls":4},260.06847348400015,"?"]
[513,"CC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1N","82-28-0","Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O","Cc1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)N",{"$nulls":4},237.078978592,"?"]
[514,"OS(=O)(=O)C1=CC=CC2=C1C(=O)C1=C(C=CC=C1C2=O)S(O)(=O)=O","82-48-4","O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2c1cccc2S(=O)(=O)O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)c(ccc2)S(=O)(=O)O",{"$nulls":4},367.96605921600013,"?"]
[515,"O=C(C(C1=CC=CC=C1)C1=CC=CC=C1)C1C(=O)C2=C(C=CC=C2)C1=O","82-66-6","O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccccc4",{"$nulls":4},340.1099443720004,"?"]
[516,"[O-][N+](=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","82-68-8","O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},292.83716664,"?"]
[517,"OC1=C(C(O)=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","82-71-3","O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O","O=[N+]([O-])c1c(c(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])O",{"$nulls":4},244.99201405600002,"?"]
[518,"CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1","82-92-8","CN1CCN(C(c2ccccc2)c2ccccc2)CC1","CN1CCN(CC1)C(c2ccccc2)c3ccccc3",{"$nulls":4},266.17829870400027,"?"]
[519,"CN1N(C(=O)C(N)=C1C)C1=CC=CC=C1","83-07-8","Cc1c(N)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1N)=O)-c2ccccc2)C",{"$nulls":4},203.105862036,"?"]
[520,"CC(C)(C)C(=O)C1C(=O)C2=CC=CC=C2C1=O","83-26-1","CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O","CC(C)(C)C(=O)C1C(c2c(C1=O)cccc2)=O",{"$nulls":4},230.094294308,"?"]
[521,"C1CC2=C3C1=CC=CC3=CC=C2","83-32-9","c1cc2c3c(cccc3c1)CC2","c1cc2c3c(c1)CCc3ccc2",{"$nulls":4},154.07825032,"?"]
[522,"CC1=CNC2=C1C=CC=C2","83-34-1","Cc1c[nH]c2ccccc12","Cc1c2c([nH]c1)cccc2",{"$nulls":4},131.073499288,"?"]
[523,"CC1=C(O)C(=CC=C1)C(O)=O","83-40-9","Cc1cccc(C(=O)O)c1O","Cc1c(c(ccc1)C(=O)O)O",{"$nulls":4},152.047344116,"?"]
[524,"C[CH]1C[CH]2[CH]3CC[C](O)(C(=O)CO)[C]3(C)C[CH](O)[CH]2[C]2(C)C=CC(=O)C=C12","83-43-2","CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12","CC1C=2C(C3C(C1)C4C(CC3O)(C(CC4)(O)C(=O)CO)C)(C)C=CC(=O)C2",{"$nulls":4},374.2093240600008,"?"]
[525,"C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C","83-44-3","CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C",{"$nulls":4},392.2926597600011,"?"]
[526,null,"83-49-8",{"$nulls":7},""]
[527,"CN1C=CC(=O)C2=CC=CC=C12","83-54-5","Cn1ccc(=O)c2ccccc21","Cn1c2c(c(cc1)=O)cccc2",{"$nulls":4},159.068413908,"?"]
[528,"OC1=CC=CC2=C(O)C=CC=C12","83-56-7","Oc1cccc2c(O)cccc12","Oc1c2c(ccc1)c(O)ccc2",{"$nulls":4},160.052429496,"?"]
[529,"CN1C=NC2=C1C(=O)NC(=O)N2C","83-67-0","Cn1cnc2c1c(=O)[nH]c(=O)n2C","Cn1c2c(nc1)n(c([nH]c2=O)=O)C",{"$nulls":4},180.064725496,"?"]
[530,"COC1=CC2=C(C=C1OC)[CH]1[CH](CO2)OC2=C(C=CC3=C2C[CH](O3)C(C)=C)C1=O","83-79-4","C=C(C)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1","C=C(C)C1Oc2c(C1)c3c(cc2)C(C4C(O3)COc5c4cc(c(c5)OC)OC)=O",{"$nulls":4},394.1416384240006,"?"]
[531,"OP(O)(=O)O[CH]1[CH](OP(O)(O)=O)[CH](OP(O)(O)=O)[CH](OP(O)(O)=O)[CH](OP(O)(O)=O)[CH]1OP(O)(O)=O","83-86-3","O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O","O=P(O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O",{"$nulls":4},659.8613712360005,"?"]
[532,"CC1=CC2=C(C=C1C)N(C[CH](O)[CH](O)[CH](O)CO)C1=NC(=O)NC(=O)C1=N2","83-88-5","Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C","Cc1c(cc2c(c1)nc3-c(nc([nH]c3=O)=O)n2CC(O)C(O)C(O)CO)C",{"$nulls":4},376.13828436000057,"?"]
[533,"CC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1","84-06-0","CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1","CC(=O)OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",{"$nulls":4},445.1590758160008,"?"]
[534,"O=C1C(=O)C2=C(C=CC=C2)C2=C1C=CC=C2","84-11-7","O=C1C(=O)c2ccccc2-c2ccccc21","O=C1c2c(-c3c(C1=O)cccc3)cccc2",{"$nulls":4},208.052429496,"?"]
[535,"C1=CC=C(C=C1)C1=CC=CC=C1C1=CC=CC=C1","84-15-1","c1ccc(-c2ccccc2-c2ccccc2)cc1","c1ccc(cc1)-c2c(cccc2)-c3ccccc3",{"$nulls":4},230.109550448,"?"]
[536,"CC[CH]([CH](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1","84-16-2","CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1","CCC(c1ccc(cc1)O)C(CC)c2ccc(cc2)O",{"$nulls":4},270.1619799440004,"?"]
[537,"CC=C(C(=CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1","84-17-3","CC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1","CC=C(C(=CC)c1ccc(cc1)O)c2ccc(cc2)O",{"$nulls":4},266.1306798160003,"?"]
[538,"NC1=C2N=CN([CH]3O[CH](CO)[CH](OP(O)(O)=O)[CH]3O)C2=NC=N1","84-21-9","Nc1ncnc2c1ncn2C1OC(CO)C(OP(=O)(O)O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O",{"$nulls":4},347.0630844180004,"?"]
[539,"[H]C12CCN(CC1C=C)C(C2)C(=O)C1=C2C=C(OC)C=CC2=NC=C1","84-31-1","C=CC1CN2CCC1CC2C(=O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(=O)c3c4c(ncc3)ccc(OC)c4",{"$nulls":4},322.1681279440006,"?"]
[540,null,"84-60-6",{"$nulls":7},""]
[541,"O=C(OC1CCCCC1)C1=C(C=CC=C1)C(=O)OC1CCCCC1","84-61-7","O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1","O=C(OC1CCCCC1)c2c(cccc2)C(=O)OC3CCCCC3",{"$nulls":4},330.18310931200074,"?"]
[542,"O=C(OC1=CC=CC=C1)C1=CC=CC=C1C(=O)OC1=CC=CC=C1","84-62-8","O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1","O=C(Oc1ccccc1)c2c(cccc2)C(=O)Oc3ccccc3",{"$nulls":4},318.0892089280004,"?"]
[543,"O=C1C2=C(C=CC=C2)C(=O)C2=C1C=CC=C2","84-65-1","O=C1c2ccccc2C(=O)c2ccccc21","O=C1c2c(C(c3c1cccc3)=O)cccc2",{"$nulls":4},208.052429496,"?"]
[544,"CCOC(=O)C1=CC=CC=C1C(=O)OCC","84-66-2","CCOC(=O)c1ccccc1C(=O)OCC","CCOC(=O)c1c(cccc1)C(=O)OCC",{"$nulls":4},222.089208928,"?"]
[545,"CC(C)COC(=O)C1=C(C=CC=C1)C(=O)OCC(C)C","84-69-5","CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C","CC(C)COC(=O)c1c(cccc1)C(=O)OCC(C)C",{"$nulls":4},278.1518091840006,"?"]
[546,"CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC","84-74-2","CCCCOC(=O)c1ccccc1C(=O)OCCCC","CCCCOC(=O)c1c(cccc1)C(=O)OCCCC",{"$nulls":4},278.1518091840006,"?"]
[547,"CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC","84-75-3","CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC","CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC",{"$nulls":4},334.21440944000085,"?"]
[548,"CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCC","84-77-5","CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC","CCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCCCC",{"$nulls":4},446.33960995200124,"?"]
[549,"COC1=C2C=CC(=O)OC2=CC2=C1C=CC(C)(C)O2","84-99-1","COc1c2c(cc3oc(=O)ccc13)OC(C)(C)C=C2","COc1c2c(cc3c1C=CC(O3)(C)C)oc(=O)cc2",{"$nulls":4},258.08920892800006,"?"]
[550,"[Br-].[Br-].C1C[N+]2=C(C=CC=C2)C2=[N+]1C=CC=C2","85-00-7","c1cc[n+]2c(c1)-c1cccc[n+]1CC2","c1cc-2[n+](cc1)CC[n+]3c2cccc3","[Br-]","[Br-]",null,null,341.936722584,"?"]
[551,"C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2","85-01-8","c1ccc2c(c1)ccc1ccccc12","c1cc2c(cc1)c3c(cc2)cccc3",{"$nulls":4},178.07825032,"?"]
[552,"C1=CC=C2C(C=CC3=C2C=CC=N3)=C1","85-02-9","c1ccc2c(c1)ccc1ncccc12","c1cc2c(cc1)c3c(cc2)nccc3",{"$nulls":4},179.073499288,"?"]
[553,"CN1C2=C(NC(Cl)=N2)C(=O)N(C)C1=O","85-18-7","Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O","Cn1c(n(c2c(c1=O)[nH]c(Cl)n2)C)=O",{"$nulls":4},214.025753144,"?"]
[554,"OC(=O)CC1=C(Cl)C=CC(Cl)=C1Cl","85-34-7","O=C(O)Cc1c(Cl)ccc(Cl)c1Cl","O=C(O)Cc1c(c(ccc1Cl)Cl)Cl",{"$nulls":4},237.93551244,"?"]
[555,"OC(=O)C1=C(O)C=C(C=C1)[N+]([O-])=O","85-38-1","O=C(O)c1ccc([N+](=O)[O-])cc1O","O=C(O)c1c(cc(cc1)[N+](=O)[O-])O",{"$nulls":4},183.01677226,"?"]
[556,"O=C1NC(=O)C2=C1C=CC=C2","85-41-6","O=C1NC(=O)c2ccccc21","O=C1c2c(C(N1)=O)cccc2",{"$nulls":4},147.0320284,"?"]
[557,"O=C1OC(=O)C2=C1C=CC=C2","85-44-9","O=C1OC(=O)c2ccccc21","O=C1c2c(C(O1)=O)cccc2",{"$nulls":4},148.01604398799998,"?"]
[558,"OC(=O)C1=C(C=CC=C1)C(=O)C1=CC=C(Cl)C=C1","85-56-3","O=C(O)c1ccccc1C(=O)c1ccc(Cl)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Cl",{"$nulls":4},260.0240218280001,"?"]
[559,"OC(=O)C1=C(C=CC=C1)C(=O)C1=CC=C(O)C=C1","85-57-4","O=C(O)c1ccccc1C(=O)c1ccc(O)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)O",{"$nulls":4},242.0579088,"?"]
[560,"CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1","85-68-7","CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1","CCCCOC(=O)c1c(cccc1)C(=O)OCc2ccccc2",{"$nulls":4},312.13615912000057,"?"]
[561,"CC1=CC(NC(=O)C2=CC=CC=C2C(O)=O)=CC=C1","85-72-3","Cc1cccc(NC(=O)c2ccccc2C(=O)O)c1","Cc1cc(ccc1)NC(=O)c2c(cccc2)C(=O)O",{"$nulls":4},255.089543276,"?"]
[562,"OC(=O)C1=C(C=CC=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1","85-73-4","O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1","O=C(O)c1c(cccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3sccn3",{"$nulls":4},403.02966251600037,"?"]
[563,"NC1=C(C=CC2=C1C=C(C=C2)S(O)(=O)=O)S(O)(=O)=O","85-74-5","Nc1c(S(=O)(=O)O)ccc2ccc(S(=O)(=O)O)cc12","Nc1c2c(ccc1S(=O)(=O)O)ccc(S(=O)(=O)O)c2",{"$nulls":4},302.9871290080002,"?"]
[564,"NC1=CC=C(C2=CC=C(C=C12)S(O)(=O)=O)S(O)(=O)=O","85-75-6","Nc1ccc(S(=O)(=O)O)c2ccc(S(=O)(=O)O)cc12","Nc1c2c(c(cc1)S(=O)(=O)O)ccc(S(=O)(=O)O)c2",{"$nulls":4},302.9871290080002,"?"]
[565,"CCCCOC1=CC(C(=O)NCCN(CC)CC)=C2C=CC=CC2=N1","85-79-0","CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1","CCCCOc1nc2c(c(c1)C(=O)NCCN(CC)CC)cccc2",{"$nulls":4},343.22597716800084,"?"]
[566,null,"85-84-7",{"$nulls":7},""]
[567,"N#CC(C1=CC=CC=C1)C1=CC=CC=C1","86-29-3","N#CC(c1ccccc1)c1ccccc1","N#CC(c1ccccc1)c2ccccc2",{"$nulls":4},193.089149352,"?"]
[568,"O=NN(C1=CC=CC=C1)C1=CC=CC=C1","86-30-6","O=NN(c1ccccc1)c1ccccc1","O=NN(c1ccccc1)c2ccccc2",{"$nulls":4},198.07931294,"?"]
[569,null,"86-50-0",{"$nulls":7},""]
[570,"OC(=O)C1=C2C=CC=CC2=CC=C1","86-55-5","O=C(O)c1cccc2ccccc12","O=C(O)c1c2c(ccc1)cccc2",{"$nulls":4},172.052429496,"?"]
[571,"[O-][N+](=O)C1=C2C=CC=CC2=CC=C1","86-57-7","O=[N+]([O-])c1cccc2ccccc12","O=[N+]([O-])c1c2c(ccc1)cccc2",{"$nulls":4},173.047678464,"?"]
[572,"OC(=O)C1=CC=CC2=C1N=CC=C2","86-59-9","O=C(O)c1cccc2cccnc12","O=C(O)c1c2c(ccc1)cccn2",{"$nulls":4},173.047678464,"?"]
[573,"NC1=CC2=C(C=C(C=C2C=C1)S(O)(=O)=O)S(O)(=O)=O","86-65-7","Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1","Nc1cc2c(cc1)cc(S(=O)(=O)O)cc2S(=O)(=O)O",{"$nulls":4},302.9871290080002,"?"]
[574,"C1C2=C(C=CC=C2)C2=C1C=CC=C2","86-73-7","c1ccc2c(c1)Cc1ccccc1-2","c1cc2c(cc1)-c3c(C2)cccc3",{"$nulls":4},166.07825032,"?"]
[575,"N1C2=CC=CC=C2C2=C1C=CC=C2","86-74-8","c1ccc2c(c1)[nH]c1ccccc12","c1cc2c(cc1)c3c([nH]2)cccc3",{"$nulls":4},167.073499288,"?"]
[576,"COC1=CC(C=O)=CC(OC)=C1OC","86-81-7","COc1cc(C=O)cc(OC)c1OC","COc1c(c(cc(c1)C=O)OC)OC",{"$nulls":4},196.073558864,"?"]
[577,"NC(=O)CC1=C2C=CC=CC2=CC=C1","86-86-2","NC(=O)Cc1cccc2ccccc12","NC(=O)Cc1c2c(ccc1)cccc2",{"$nulls":4},185.084063972,"?"]
[578,"OC(=O)CC1=C2C=CC=CC2=CC=C1","86-87-3","O=C(O)Cc1cccc2ccccc12","O=C(O)Cc1c2c(ccc1)cccc2",{"$nulls":4},186.06807956,"?"]
[579,null,"86-88-4",{"$nulls":7},""]
[580,null,"86-96-4",{"$nulls":7},""]
[581,"CN1[CH]2CC[CH]1C[CH](C2)OC(=O)C(O)C1=CC=CC=C1","87-00-3","CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3",{"$nulls":4},275.15214353200054,"?"]
[582,"OC1=C(C=CC=C1)C(=O)NC1=CC=CC=C1","87-17-2","O=C(Nc1ccccc1)c1ccccc1O","O=C(Nc1ccccc1)c2c(cccc2)O",{"$nulls":4},213.078978592,"?"]
[583,"CC(C)CCOC(=O)C1=C(O)C=CC=C1","87-20-7","CC(C)CCOC(=O)c1ccccc1O","CC(C)CCOC(=O)c1c(cccc1)O",{"$nulls":4},208.109944372,"?"]
[584,"OCCOC(=O)C1=CC=CC=C1O","87-28-5","O=C(OCCO)c1ccccc1O","O=C(OCCO)c1c(cccc1)O",{"$nulls":4},182.0579088,"?"]
[585,null,"87-32-1",{"$nulls":7},""]
[586,"[H][C]12OC[CH](O[N+]([O-])=O)[C]1([H])OC[CH]2O[N+]([O-])=O","87-33-2","O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12","O=[N+]([O-])OC1C2C(OC1)C(O[N+](=O)[O-])CO2",{"$nulls":4},236.02806521600002,"?"]
[587,"COC1=C(Cl)C=C(Cl)C=C1Cl","87-40-1","COc1c(Cl)cc(Cl)cc1Cl","COc1c(cc(cc1Cl)Cl)Cl",{"$nulls":4},209.94059782,"?"]
[588,null,"87-42-3",{"$nulls":7},""]
[589,"CN(C)C(=O)OC1=CC(C)=NN1C1=CC=CC=C1","87-47-8","Cc1cc(OC(=O)N(C)C)n(-c2ccccc2)n1","Cc1nn(c(c1)OC(=O)N(C)C)-c2ccccc2",{"$nulls":4},245.11642672,"?"]
[590,"OC(=O)CC1=CNC2=C1C=CC=C2","87-51-4","O=C(O)Cc1c[nH]c2ccccc12","O=C(O)Cc1c2c([nH]c1)cccc2",{"$nulls":4},175.063328528,"?"]
[591,"ClC1=CC=CC(Cl)=C1Cl","87-61-6","Clc1cccc(Cl)c1Cl","Clc1c(c(ccc1)Cl)Cl",{"$nulls":4},179.930033136,"?"]
[592,"CC1=CC=CC(C)=C1N","87-62-7","Cc1cccc(C)c1N","Cc1c(c(ccc1)C)N",{"$nulls":4},121.08914935199999,"?"]
[593,"CC1=C(O)C(Cl)=CC=C1","87-64-9","Cc1cccc(Cl)c1O","Cc1c(c(ccc1)Cl)O",{"$nulls":4},142.018542524,"?"]
[594,"OC1=C(Cl)C=CC=C1Cl","87-65-0","Oc1c(Cl)cccc1Cl","Oc1c(cccc1Cl)Cl",{"$nulls":4},161.963920108,"?"]
[595,"OC1=CC=CC(O)=C1O","87-66-1","Oc1cccc(O)c1O","Oc1c(c(ccc1)O)O",{"$nulls":4},126.031694052,"?"]
[596,"ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl","87-68-3","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl",{"$nulls":4},257.81311608,"?"]
[597,"O[CH]([CH](O)C(O)=O)C(O)=O","87-69-4","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",{"$nulls":4},150.01643791200001,"?"]
[598,"OC[CH](O)[CH](O)[CH](O)C(=O)CO","87-79-6","O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO",{"$nulls":4},180.063388104,"?"]
[599,"BrC1=C(Br)C(Br)=C(Br)C(Br)=C1Br","87-82-1","Brc1c(Br)c(Br)c(Br)c(Br)c1Br","Brc1c(c(c(c(c1Br)Br)Br)Br)Br",{"$nulls":4},545.5100226000001,"?"]
[600,"CC1=C(C)C(C)=C(C)C(C)=C1C","87-85-4","Cc1c(C)c(C)c(C)c(C)c1C","Cc1c(c(c(c(c1C)C)C)C)C",{"$nulls":4},162.140850576,"?"]
[601,"OC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","87-86-5","Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},263.847003052,"?"]
[602,"OC1=C(Cl)C(=O)C(O)=C(Cl)C1=O","87-88-7","O=C1C(O)=C(Cl)C(=O)C(O)=C1Cl","O=C1C(=C(C(C(=C1O)Cl)=O)O)Cl",{"$nulls":4},207.933013904,"?"]
[603,"OC1C(O)C(O)C(O)C(O)C1O","87-89-8","OC1C(O)C(O)C(O)C(O)C1O","OC1C(C(C(C(C1O)O)O)O)O",{"$nulls":4},180.063388104,"?"]
[604,"ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O","87-90-1","O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl","O=c1n(c(n(c(n1Cl)=O)Cl)=O)Cl",{"$nulls":4},230.9005239,"?"]
[605,"OC[CH](O)[CH](O)[CH](O)CO","87-99-0","OCC(O)C(O)C(O)CO","OCC(O)C(O)C(O)CO",{"$nulls":4},152.068473484,"?"]
[606,"CC1=CC(O)=CC(C)=C1Cl","88-04-0","Cc1cc(O)cc(C)c1Cl","Cc1c(c(cc(c1)O)C)Cl",{"$nulls":4},156.034192588,"?"]
[607,"OC1=C(Cl)C=C(Cl)C=C1Cl","88-06-2","Oc1c(Cl)cc(Cl)cc1Cl","Oc1c(cc(cc1Cl)Cl)Cl",{"$nulls":4},195.924947756,"?"]
[608,"CCC(CC)C(O)=O","88-09-5","CCC(CC)C(=O)O","CCC(CC)C(=O)O",{"$nulls":4},116.083729624,"?"]
[609,"OC(=O)C1=CSC=C1","88-13-1","O=C(O)c1ccsc1","O=C(O)c1cscc1",{"$nulls":4},127.993200368,"?"]
[610,"OC(=O)C1=CC=CO1","88-14-2","O=C(O)c1ccco1","O=C(O)c1occc1",{"$nulls":4},112.016043988,"?"]
[611,"CC(=O)C1=CC=CS1","88-15-3","CC(=O)c1cccs1","CC(=O)c1sccc1",{"$nulls":4},126.013935812,"?"]
[612,"CC(C)(C)C1=C(O)C=CC=C1","88-18-6","CC(C)(C)c1ccccc1O","CC(C)(C)c1c(cccc1)O",{"$nulls":4},150.104465068,"?"]
[613,"CC1=C(C=CC=C1)S(N)(=O)=O","88-19-7","Cc1ccccc1S(N)(=O)=O","Cc1c(cccc1)S(N)(=O)=O",{"$nulls":4},171.035399528,"?"]
[614,"OC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F","88-30-2","O=[N+]([O-])c1ccc(O)cc1C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)O)C(F)(F)F",{"$nulls":4},207.014327648,"?"]
[615,"CC1=CC=C(N)C(=C1)S(O)(=O)=O","88-44-8","Cc1ccc(N)c(S(=O)(=O)O)c1","Cc1cc(c(cc1)N)S(=O)(=O)O",{"$nulls":4},187.030314148,"?"]
[616,"OC(=O)C1=C(Br)C=CC=C1","88-65-3","O=C(O)c1ccccc1Br","O=C(O)c1c(cccc1)Br",{"$nulls":4},199.9472915,"?"]
[617,"OC(=O)C1=CC=CC=C1I","88-67-5","O=C(O)c1ccccc1I","O=C(O)c1c(cccc1)I",{"$nulls":4},247.9334274,"?"]
[618,"CC1=CC=CC=C1[N+]([O-])=O","88-72-2","Cc1ccccc1[N+](=O)[O-]","Cc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},137.047678464,"?"]
[619,"[O-][N+](=O)C1=C(Cl)C=CC=C1","88-73-3","O=[N+]([O-])c1ccccc1Cl","O=[N+]([O-])c1c(cccc1)Cl",{"$nulls":4},156.993056048,"?"]
[620,"NC1=CC=CC=C1[N+]([O-])=O","88-74-4","Nc1ccccc1[N+](=O)[O-]","Nc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},138.042927432,"?"]
[621,"OC1=C(C=CC=C1)[N+]([O-])=O","88-75-5","O=[N+]([O-])c1ccccc1O","O=[N+]([O-])c1c(cccc1)O",{"$nulls":4},139.02694302,"?"]
[622,"CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O","88-85-7","CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",{"$nulls":4},240.074621484,"?"]
[623,"[O-][N+](=O)C1=CC(=C(Cl)C(=C1)[N+]([O-])=O)[N+]([O-])=O","88-88-0","O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]",{"$nulls":4},246.963212464,"?"]
[624,"OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","88-89-1","O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]",{"$nulls":4},228.997099436,"?"]
[625,"NC(=O)C1=C(C=CC=C1)C(N)=O","88-96-0","NC(=O)c1ccccc1C(N)=O","NC(=O)c1c(cccc1)C(N)=O",{"$nulls":4},164.058577496,"?"]
[626,"OC(=O)C1=CC=CC=C1C(O)=O","88-99-3","O=C(O)c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(=O)O",{"$nulls":4},166.026608672,"?"]
[627,"OC(=O)C1=C(N=CC=C1)C(O)=O","89-00-9","O=C(O)c1cccnc1C(=O)O","O=C(O)c1c(nccc1)C(=O)O",{"$nulls":4},167.02185764,"?"]
[628,"OC(=O)C1=CC(C(O)=O)=C(C=C1C(O)=O)C(O)=O","89-05-4","O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O","O=C(O)c1c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O",{"$nulls":4},254.00626715200002,"?"]
[629,"NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)=CN=C2N1","89-38-3","Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)cnc2[nH]1","Nc1[nH]c2c(c(n1)=O)nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cn2",{"$nulls":4},699.2248674960009,"?"]
[630,"COC1=CC(=C(OC)C=C1)[N+]([O-])=O","89-39-4","COc1ccc(OC)c([N+](=O)[O-])c1","COc1cc(c(cc1)OC)[N+](=O)[O-]",{"$nulls":4},183.053157768,"?"]
[631,"OC(=O)CC1=C(C=CC=C1)C(O)=O","89-51-0","O=C(O)Cc1ccccc1C(=O)O","O=C(O)Cc1c(cccc1)C(=O)O",{"$nulls":4},180.042258736,"?"]
[632,"CC1=CC(C(O)=O)=C(O)C=C1","89-56-5","Cc1ccc(O)c(C(=O)O)c1","Cc1cc(c(cc1)O)C(=O)O",{"$nulls":4},152.047344116,"?"]
[633,"[O-][N+](=O)C1=C(Cl)C=CC(Cl)=C1","89-61-2","O=[N+]([O-])c1cc(Cl)ccc1Cl","O=[N+]([O-])c1c(ccc(c1)Cl)Cl",{"$nulls":4},190.954083696,"?"]
[634,"NC1=C(C=C(Cl)C=C1)[N+]([O-])=O","89-63-4","Nc1ccc(Cl)cc1[N+](=O)[O-]","Nc1c(cc(cc1)Cl)[N+](=O)[O-]",{"$nulls":4},172.00395508,"?"]
[635,"OC1=C(C=C(Cl)C=C1)[N+]([O-])=O","89-64-5","O=[N+]([O-])c1cc(Cl)ccc1O","O=[N+]([O-])c1c(ccc(c1)Cl)O",{"$nulls":4},172.987970668,"?"]
[636,"OC[CH](O)[CH]1OC(=O)C(O)=C1O","89-65-6","O=C1OC(C(O)CO)C(O)=C1O","O=C1C(=C(C(O1)C(O)CO)O)O",{"$nulls":4},176.032087976,"?"]
[637,null,"89-67-8",{"$nulls":7},""]
[638,"CC(C)C1=CC(Cl)=C(C)C=C1O","89-68-9","Cc1cc(O)c(C(C)C)cc1Cl","Cc1c(cc(c(c1)O)C(C)C)Cl",{"$nulls":4},184.065492716,"?"]
[639,"[O-][N+](=O)C1=CC(Cl)=C(Cl)C=C1Cl","89-69-0","O=[N+]([O-])c1cc(Cl)c(Cl)cc1Cl","O=[N+]([O-])c1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},224.915111344,"?"]
[640,"CC(C)C1CCC(C)CC1O","89-78-1","CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O",{"$nulls":4},156.15141526,"?"]
[641,null,"89-80-5",{"$nulls":7},""]
[642,"CC(C)C1=CC=C(C)C=C1O","89-83-8","Cc1ccc(C(C)C)c(O)c1","Cc1cc(c(cc1)C(C)C)O",{"$nulls":4},150.104465068,"?"]
[643,"OC(=O)C1=CC=C(O)C=C1O","89-86-1","O=C(O)c1ccc(O)cc1O","O=C(O)c1c(cc(cc1)O)O",{"$nulls":4},154.026608672,"?"]
[644,"CCC1=C(O)C=CC=C1","90-00-6","CCc1ccccc1O","CCc1c(cccc1)O",{"$nulls":4},122.07316494,"?"]
[645,"OCC1=CC=CC=C1O","90-01-7","OCc1ccccc1O","OCc1c(cccc1)O",{"$nulls":4},124.052429496,"?"]
[646,"OC1=CC=CC=C1C=O","90-02-8","O=Cc1ccccc1O","O=Cc1c(cccc1)O",{"$nulls":4},122.036779432,"?"]
[647,"COC1=CC=CC=C1N","90-04-0","COc1ccccc1N","COc1c(cccc1)N",{"$nulls":4},123.068413908,"?"]
[648,"COC1=C(O)C=CC=C1","90-05-1","COc1ccccc1O","COc1c(cccc1)O",{"$nulls":4},124.052429496,"?"]
[649,"BrC1=C2C=CC=CC2=CC=C1","90-11-9","Brc1cccc2ccccc12","Brc1c2c(ccc1)cccc2",{"$nulls":4},205.973112324,"?"]
[650,"CC1=C2C=CC=CC2=CC=C1","90-12-0","Cc1cccc2ccccc12","Cc1c2c(ccc1)cccc2",{"$nulls":4},142.07825032,"?"]
[651,"ClC1=C2C=CC=CC2=CC=C1","90-13-1","Clc1cccc2ccccc12","Clc1c2c(ccc1)cccc2",{"$nulls":4},162.023627904,"?"]
[652,"IC1=C2C=CC=CC2=CC=C1","90-14-2","Ic1cccc2ccccc12","Ic1c2c(ccc1)cccc2",{"$nulls":4},253.959248224,"?"]
[653,"OC1=CC=CC2=CC=CC=C12","90-15-3","Oc1cccc2ccccc12","Oc1c2c(ccc1)cccc2",{"$nulls":4},144.057514876,"?"]
[654,"N(C1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1","90-30-2","c1ccc(Nc2cccc3ccccc23)cc1","c1ccc(cc1)Nc2c3c(ccc2)cccc3",{"$nulls":4},219.104799416,"?"]
[655,"[H][C]12C[C]([H])(CN3CCCC[C]3([H])C1)[C]1([H])CCCCN21","90-39-1","C1CCN2CC3CC(CC2C1)N1CCCCC31","C1CC2N(CC1)CC3C4N(C(C3)C2)CCCC4",{"$nulls":4},234.20959883199998,"?"]
[656,"OC1=C(C=CC=C1)C1=CC=CC=C1","90-43-7","Oc1ccccc1-c1ccccc1","Oc1c(cccc1)-c2ccccc2",{"$nulls":4},170.07316494,"?"]
[657,"OC(C(O)=O)C1=CC=CC=C1","90-64-2","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",{"$nulls":4},152.047344116,"?"]
[658,"COC(=CC(O)=O)C(=O)C(C)=C","90-65-3","C=C(C)C(=O)C(=CC(=O)O)OC","C=C(C)C(=O)C(=CC(=O)O)OC",{"$nulls":4},170.0579088,"?"]
[659,"OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O","90-80-2","O=C1OC(CO)C(O)C(O)C1O","O=C1C(C(C(C(O1)CO)O)O)O",{"$nulls":4},178.04773804,"?"]
[660,null,"90-94-8",{"$nulls":7},""]
[661,"OC(C1=CC=CC=C1)C1=CC=CC=C1","91-01-0","OC(c1ccccc1)c1ccccc1","OC(c1ccccc1)c2ccccc2",{"$nulls":4},184.088815004,"?"]
[662,"COC1=CC=CC(OC)=C1O","91-10-1","COc1cccc(OC)c1O","COc1c(c(ccc1)OC)O",{"$nulls":4},154.06299418,"?"]
[663,"N#CC1=CC=CC=C1C#N","91-15-6","N#Cc1ccccc1C#N","N#Cc1c(cccc1)C#N",{"$nulls":4},128.037448128,"?"]
[664,"C1CCC2CCCCC2C1","91-17-8","C1CCC2CCCCC2C1","C1CC2C(CC1)CCCC2",{"$nulls":4},138.140850576,"?"]
[665,"C1=CN=C2N=CN=CC2=N1","91-18-9","c1cnc2ncncc2n1","c1nc2c(nc1)ncnc2",{"$nulls":4},132.043596128,"?"]
[666,"C1=CC2=C(C=C1)N=CC=N2","91-19-0","c1ccc2nccnc2c1","c1cc2c(cc1)nccn2",{"$nulls":4},130.053098192,"?"]
[667,"C1=CC2=CC=CC=C2C=C1","91-20-3","c1ccc2ccccc2c1","c1cc2c(cc1)cccc2",{"$nulls":4},128.062600256,"?"]
[668,"C1=CC2=C(C=C1)N=CC=C2","91-22-5","c1ccc2ncccc2c1","c1cc2c(cc1)nccc2",{"$nulls":4},129.057849224,"?"]
[669,"COC1=C(C=CC=C1)[N+]([O-])=O","91-23-6","COc1ccccc1[N+](=O)[O-]","COc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},153.042593084,"?"]
[670,"CC1=CC2=CC=CC=C2C=C1","91-57-6","Cc1ccc2ccccc2c1","Cc1cc2c(cc1)cccc2",{"$nulls":4},142.07825032,"?"]
[671,"ClC1=CC=C2C=CC=CC2=C1","91-58-7","Clc1ccc2ccccc2c1","Clc1cc2c(cc1)cccc2",{"$nulls":4},162.023627904,"?"]
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[1034,"ClCC#N","107-14-2","N#CCCl","N#CCCl",{"$nulls":4},74.987576744,"?"]
[1035,"NCCN","107-15-3","NCCN","NCCN",{"$nulls":4},60.06874825599999,"?"]
[1036,"OCC=C","107-18-6","C=CCO","C=CCO",{"$nulls":4},58.041864812,"?"]
[1037,"OCC#C","107-19-7","C#CCO","C#CCO",{"$nulls":4},56.026214748,"?"]
[1038,"OCCO","107-21-1","OCCO","OCCO",{"$nulls":4},62.036779432,"?"]
[1039,null,"107-22-2",{"$nulls":7},""]
[1040,"COC=C","107-25-5","C=COC","C=COC",{"$nulls":4},58.041864812,"?"]
[1041,"COC=O","107-31-3","COC=O","COC=O",{"$nulls":4},60.021129368000004,"?"]
[1042,"NCCS(O)(=O)=O","107-35-7","NCCS(=O)(=O)O","NCCS(=O)(=O)O",{"$nulls":4},125.014664084,"?"]
[1043,"OCCS(O)(=O)=O","107-36-8","O=S(=O)(O)CCO","O=S(=O)(O)CCO",{"$nulls":4},125.99867967200001,"?"]
[1044,"CC(O)CC(C)(C)O","107-41-5","CC(O)CC(C)(C)O","CC(O)CC(C)(C)O",{"$nulls":4},118.099379688,"?"]
[1045,"C[N+](C)(C)CC([O-])=O","107-43-7","C[N+](C)(C)CC(=O)[O-]","C[N+](C)(C)CC(=O)O",{"$nulls":4},117.078978592,"Structure has been neutralized"]
[1046,"CC(C)OP(C)(F)=O","107-44-8","CC(C)OP(C)(=O)F","CC(C)OP(C)(=O)F",{"$nulls":4},140.04024440999999,"?"]
[1047,"C[Si](C)(C)O[Si](C)(C)C","107-46-0","C[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)C",{"$nulls":4},162.089618256,"?"]
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[1049,"C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","107-51-7","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C",{"$nulls":4},236.10840959799998,"?"]
[1050,"CCCCOP(O)(=O)OCCCC","107-66-4","CCCCOP(=O)(O)OCCCC","CCCCOP(=O)(O)OCCCC",{"$nulls":4},210.102095718,"?"]
[1051,"NC(=O)OCC(Cl)(Cl)Cl","107-69-7","NC(=O)OCC(Cl)(Cl)Cl","NC(=O)OCC(Cl)(Cl)Cl",{"$nulls":4},190.930761408,"?"]
[1052,"COC(C)(C)CC(C)=O","107-70-0","COC(C)(C)CC(C)=O","COC(C)(C)CC(C)=O",{"$nulls":4},130.099379688,"?"]
[1053,"CC(C)CCBr","107-82-4","CC(C)CCBr","CC(C)CCBr",{"$nulls":4},150.004412452,"?"]
[1054,"CCCC(C)C","107-83-5","CCCC(C)C","CCCC(C)C",{"$nulls":4},86.109550448,"?"]
[1055,"CCCC(C)=O","107-87-9","CCCC(C)=O","CCCC(C)=O",{"$nulls":4},86.07316494,"?"]
[1056,"CC(O)CCO","107-88-0","CC(O)CCO","CC(O)CCO",{"$nulls":4},90.06807956,"?"]
[1057,null,"107-89-1",{"$nulls":7},""]
[1058,"NC(=O)CC#N","107-91-5","N#CCC(N)=O","N#CCC(N)=O",{"$nulls":4},84.032362748,"?"]
[1059,"CCCC(O)=O","107-92-6","CCCC(=O)O","CCCC(=O)O",{"$nulls":4},88.052429496,"?"]
[1060,"CC=CC(O)=O","107-93-7","CC=CC(=O)O","CC=CC(=O)O",{"$nulls":4},86.036779432,"?"]
[1061,"NCCC(O)=O","107-95-9","NCCC(=O)O","NCCC(=O)O",{"$nulls":4},89.047678464,"?"]
[1062,null,"107-97-1",{"$nulls":7},""]
[1063,"COCC(C)O","107-98-2","COCC(C)O","COCC(C)O",{"$nulls":4},90.06807956,"?"]
[1064,"CN(C)CCO","108-01-0","CN(C)CCO","CN(C)CCO",{"$nulls":4},89.084063972,"?"]
[1065,"CCC[N+]([O-])=O","108-03-2","CCC[N+](=O)[O-]","CCC[N+](=O)[O-]",{"$nulls":4},89.047678464,"?"]
[1066,"CC(=O)OC=C","108-05-4","C=COC(C)=O","C=COC(C)=O",{"$nulls":4},86.036779432,"?"]
[1067,"CC(C)CC(C)C","108-08-7","CC(C)CC(C)C","CC(C)CC(C)C",{"$nulls":4},100.12520051199999,"?"]
[1068,"CC(C)CC(C)=O","108-10-1","CC(=O)CC(C)C","CC(=O)CC(C)C",{"$nulls":4},100.088815004,"?"]
[1069,"CC(C)CC(C)O","108-11-2","CC(C)CC(C)O","CC(C)CC(C)O",{"$nulls":4},102.104465068,"?"]
[1070,"NC(=O)CC(N)=O","108-13-4","NC(=O)CC(N)=O","NC(=O)CC(N)=O",{"$nulls":4},102.042927432,"?"]
[1071,"CC(C)NC(C)C","108-18-9","CC(C)NC(C)C","CC(C)NC(C)C",{"$nulls":4},101.12044947999999,"?"]
[1072,"NC(=O)NC(N)=O","108-19-0","NC(=O)NC(N)=O","NC(=O)NC(N)=O",{"$nulls":4},103.0381764,"?"]
[1073,"CC(C)OC(C)C","108-20-3","CC(C)OC(C)C","CC(C)OC(C)C",{"$nulls":4},102.104465068,"?"]
[1074,"CC(C)OC(C)=O","108-21-4","CC(=O)OC(C)C","CC(=O)OC(C)C",{"$nulls":4},102.06807956,"?"]
[1075,"CC(=O)OC(C)=O","108-24-7","CC(=O)OC(C)=O","CC(=O)OC(C)=O",{"$nulls":4},102.031694052,"?"]
[1076,"C=C1OC(=O)C=C1","108-28-1","C=C1C=CC(=O)O1","C=C1OC(C=C1)=O",{"$nulls":4},96.021129368,"?"]
[1077,"CC1COC(=O)O1","108-32-7","CC1COC(=O)O1","CC1OC(OC1)=O",{"$nulls":4},102.031694052,"?"]
[1078,"CCOP(=O)(OCC)OC1=NNC(C)=C1","108-34-9","CCOP(=O)(OCC)Oc1cc(C)[nH]n1","CCOP(=O)(OCC)Oc1n[nH]c(c1)C",{"$nulls":4},234.07694358999998,"?"]
[1079,"BrC1=CC(Br)=CC=C1","108-36-1","Brc1cccc(Br)c1","Brc1cc(ccc1)Br",{"$nulls":4},233.867974328,"?"]
[1080,"ClC1=CC(Br)=CC=C1","108-37-2","Clc1cccc(Br)c1","Clc1cc(ccc1)Br",{"$nulls":4},189.918489908,"?"]
[1081,"CC1=CC(C)=CC=C1","108-38-3","Cc1cccc(C)c1","Cc1cc(ccc1)C",{"$nulls":4},106.07825032,"?"]
[1082,"CC1=CC(O)=CC=C1","108-39-4","Cc1cccc(O)c1","Cc1cc(ccc1)O",{"$nulls":4},108.057514876,"?"]
[1083,"CC1=CC(Cl)=CC=C1","108-41-8","Cc1cccc(Cl)c1","Cc1cc(ccc1)Cl",{"$nulls":4},126.023627904,"?"]
[1084,"NC1=CC(Cl)=CC=C1","108-42-9","Nc1cccc(Cl)c1","Nc1cc(ccc1)Cl",{"$nulls":4},127.01887687199999,"?"]
[1085,"OC1=CC(Cl)=CC=C1","108-43-0","Oc1cccc(Cl)c1","Oc1cc(ccc1)Cl",{"$nulls":4},128.00289246,"?"]
[1086,"CC1=CC(N)=CC=C1","108-44-1","Cc1cccc(N)c1","Cc1cc(ccc1)N",{"$nulls":4},107.073499288,"?"]
[1087,"NC1=CC(N)=CC=C1","108-45-2","Nc1cccc(N)c1","Nc1cc(ccc1)N",{"$nulls":4},108.06874825599999,"?"]
[1088,"OC1=CC(O)=CC=C1","108-46-3","Oc1cccc(O)c1","Oc1cc(ccc1)O",{"$nulls":4},110.036779432,"?"]
[1089,"CC1=CC=NC(C)=C1","108-47-4","Cc1ccnc(C)c1","Cc1cc(ncc1)C",{"$nulls":4},107.073499288,"?"]
[1090,"CC1=CC=CC(C)=N1","108-48-5","Cc1cccc(C)n1","Cc1nc(ccc1)C",{"$nulls":4},107.073499288,"?"]
[1091,"CC(CCl)OC(C)CCl","108-60-1","[2H]CIP","[2H]CIP","CC(CCl)OC(C)CCl",{"$nulls":3},344.943880154,"Errors in neutralization"]
[1092,"CC1OC(C)OC(C)OC(C)O1","108-62-3","CC1OC(C)OC(C)OC(C)O1","CC1OC(OC(OC(O1)C)C)C",{"$nulls":4},176.104858992,"?"]
[1093,"CCOC(=O)CC(C)C","108-64-5","CCOC(=O)CC(C)C","CCOC(=O)CC(C)C",{"$nulls":4},130.099379688,"?"]
[1094,"COCC(C)OC(C)=O","108-65-6","COCC(C)OC(C)=O","COCC(C)OC(C)=O",{"$nulls":4},132.078644244,"?"]
[1095,"CC1=CC(C)=CC(C)=C1","108-67-8","Cc1cc(C)cc(C)c1","Cc1cc(cc(c1)C)C",{"$nulls":4},120.093900384,"?"]
[1096,"CC1=CC(O)=CC(C)=C1","108-68-9","Cc1cc(C)cc(O)c1","Cc1cc(cc(c1)C)O",{"$nulls":4},122.07316494,"?"]
[1097,"ClC1=CC(Cl)=CC(Cl)=C1","108-70-3","Clc1cc(Cl)cc(Cl)c1","Clc1cc(cc(c1)Cl)Cl",{"$nulls":4},179.930033136,"?"]
[1098,"OC1=CC(O)=CC(O)=C1","108-73-6","Oc1cc(O)cc(O)c1","Oc1cc(cc(c1)O)O",{"$nulls":4},126.031694052,"?"]
[1099,"CC1=CC(C)=NC(C)=C1","108-75-8","Cc1cc(C)nc(C)c1","Cc1cc(nc(c1)C)C",{"$nulls":4},121.08914935199999,"?"]
[1100,"NC1=NC(N)=NC(N)=N1","108-78-1","Nc1nc(N)nc(N)n1","Nc1nc(nc(n1)N)N",{"$nulls":4},126.06539419199999,"?"]
[1101,"OC1=NC(O)=NC(O)=N1","108-80-5","Oc1nc(O)nc(O)n1","Oc1nc(nc(n1)O)O",{"$nulls":4},129.017440956,"?"]
[1102,"CC(C)CC(O)CC(C)C","108-82-7","CC(C)CC(O)CC(C)C","CC(C)CC(O)CC(C)C",{"$nulls":4},144.15141526,"?"]
[1103,"CC(C)CC(=O)CC(C)C","108-83-8","CC(C)CC(=O)CC(C)C","CC(C)CC(=O)CC(C)C",{"$nulls":4},142.135765196,"?"]
[1104,"CC(C)CC(C)OC(C)=O","108-84-9","CC(=O)OC(C)CC(C)C","CC(=O)OC(C)CC(C)C",{"$nulls":4},144.115029752,"?"]
[1105,"BrC1CCCCC1","108-85-0","BrC1CCCCC1","BrC1CCCCC1",{"$nulls":4},162.004412452,"?"]
[1106,"BrC1=CC=CC=C1","108-86-1","Brc1ccccc1","Brc1ccccc1",{"$nulls":4},155.95746226,"?"]
[1107,"CC1CCCCC1","108-87-2","CC1CCCCC1","CC1CCCCC1",{"$nulls":4},98.109550448,"?"]
[1108,"CC1=CC=CC=C1","108-88-3","Cc1ccccc1","Cc1ccccc1",{"$nulls":4},92.062600256,"?"]
[1109,"CC1=CC=NC=C1","108-89-4","Cc1ccncc1","Cc1ccncc1",{"$nulls":4},93.057849224,"?"]
[1110,"ClC1=CC=CC=C1","108-90-7","Clc1ccccc1","Clc1ccccc1",{"$nulls":4},112.00797784,"?"]
[1111,"NC1CCCCC1","108-91-8","NC1CCCCC1","NC1CCCCC1",{"$nulls":4},99.10479941599999,"?"]
[1112,"OC1CCCCC1","108-93-0","OC1CCCCC1","OC1CCCCC1",{"$nulls":4},100.088815004,"?"]
[1113,"O=C1CCCCC1","108-94-1","O=C1CCCCC1","O=C1CCCCC1",{"$nulls":4},98.07316494,"?"]
[1114,"OC1=CC=CC=C1","108-95-2","Oc1ccccc1","Oc1ccccc1",{"$nulls":4},94.041864812,"?"]
[1115,"SC1=CC=CC=C1","108-98-5","Sc1ccccc1","Sc1ccccc1",{"$nulls":4},110.019021192,"?"]
[1116,"CC1=CC=CN=C1","108-99-6","Cc1cccnc1","Cc1cnccc1",{"$nulls":4},93.057849224,"?"]
[1117,"OC1=CN=CC=C1","109-00-2","Oc1cccnc1","Oc1cnccc1",{"$nulls":4},95.03711378,"?"]
[1118,"CN1CCOCC1","109-02-4","CN1CCOCC1","CN1CCOCC1",{"$nulls":4},101.084063972,"?"]
[1119,"BrC1=CC=CC=N1","109-04-6","Brc1ccccn1","Brc1ncccc1",{"$nulls":4},156.952711228,"?"]
[1120,"CC1=NC=CC=C1","109-06-8","Cc1ccccn1","Cc1ncccc1",{"$nulls":4},93.057849224,"?"]
[1121,"CC1CNCCN1","109-07-9","CC1CNCCN1","CC1NCCNC1",{"$nulls":4},100.10004838399999,"?"]
[1122,"CC1=NC=CN=C1","109-08-0","Cc1cnccn1","Cc1nccnc1",{"$nulls":4},94.053098192,"?"]
[1123,"ClC1=NC=CC=C1","109-09-1","Clc1ccccn1","Clc1ncccc1",{"$nulls":4},113.003226808,"?"]
[1124,"CC(=C)C(=O)OCCOCCOCCOC(=O)C(C)=C","109-16-0","C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C","C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C",{"$nulls":4},286.14163842400063,"?"]
[1125,"CCCCOC(=O)CCC","109-21-7","CCCCOC(=O)CCC","CCCCOC(=O)CCC",{"$nulls":4},144.115029752,"?"]
[1126,"CCCCOC(=O)CCCCCCCCC(=O)OCCCC","109-43-3","CCCCOC(=O)CCCCCCCCC(=O)OCCCC","CCCCOC(=O)CCCCCCCCC(=O)OCCCC",{"$nulls":4},314.24570956800096,"?"]
[1127,"CCOCCOC(=O)CCCCC(=O)OCCOCC","109-44-4","CCOCCOC(=O)CCCCC(=O)OCCOCC","CCOCCOC(=O)CCCCC(=O)OCCOCC",{"$nulls":4},290.17293855200074,"?"]
[1128,"CCC#CC(C)O","109-50-2","CCC#CC(C)O","CCC#CC(C)O",{"$nulls":4},98.07316494,"?"]
[1129,"CCCCC(O)=O","109-52-4","CCCCC(=O)O","CCCCC(=O)O",{"$nulls":4},102.06807956,"?"]
[1130,"CC(C)COC=C","109-53-5","C=COCC(C)C","C=COCC(C)C",{"$nulls":4},100.088815004,"?"]
[1131,"CN(C)CCCCl","109-54-6","CN(C)CCCCl","CN(C)CCCCl",{"$nulls":4},121.06582706399999,"?"]
[1132,"CN(C)CCCN","109-55-7","CN(C)CCCN","CN(C)CCCN",{"$nulls":4},102.11569844799999,"?"]
[1133,"NC(=S)NCC=C","109-57-9","C=CCNC(N)=S","C=CCNC(N)=S",{"$nulls":4},116.04081925599999,"?"]
[1134,"CC(C)OCCO","109-59-1","CC(C)OCCO","CC(C)OCCO",{"$nulls":4},104.083729624,"?"]
[1135,"CCCOC(C)=O","109-60-4","CCCOC(C)=O","CCCOC(C)=O",{"$nulls":4},102.06807956,"?"]
[1136,"BrCCCBr","109-64-8","BrCCCBr","BrCCCBr",{"$nulls":4},199.883624392,"?"]
[1137,"CCCCBr","109-65-9","CCCCBr","CCCCBr",{"$nulls":4},135.988762388,"?"]
[1138,"CCCCC","109-66-0","CCCCC","CCCCC",{"$nulls":4},72.093900384,"?"]
[1139,"CCCC=C","109-67-1","C=CCCC","C=CCCC",{"$nulls":4},70.07825032,"?"]
[1140,"CCC=CC","109-68-2","CC=CCC","CC=CCC",{"$nulls":4},70.07825032,"?"]
[1141,"CCCCCl","109-69-3","CCCCCl","CCCCCl",{"$nulls":4},92.039277968,"?"]
[1142,"ClCCCBr","109-70-6","ClCCCBr","ClCCCBr",{"$nulls":4},155.934139972,"?"]
[1143,"CCCCN","109-73-9","CCCCN","CCCCN",{"$nulls":4},73.08914935199999,"?"]
[1144,"CCCC#N","109-74-0","CCCC#N","CCCC#N",{"$nulls":4},69.057849224,"?"]
[1145,"N#CCC#N","109-77-3","N#CCC#N","N#CCC#N",{"$nulls":4},66.021798064,"?"]
[1146,"OCCC#N","109-78-4","N#CCCO","N#CCCO",{"$nulls":4},71.03711378,"?"]
[1147,"CCCCS","109-79-5","CCCCS","CCCCS",{"$nulls":4},90.05032132,"?"]
[1148,"CNCCO","109-83-1","CNCCO","CNCCO",{"$nulls":4},75.068413908,"?"]
[1149,"NNCCO","109-84-2","NNCCO","NNCCO",{"$nulls":4},76.063662876,"?"]
[1150,"COCCO","109-86-4","COCCO","COCCO",{"$nulls":4},76.052429496,"?"]
[1151,"COCOC","109-87-5","COCOC","COCOC",{"$nulls":4},76.052429496,"?"]
[1152,"CCNCC","109-89-7","CCNCC","CCNCC",{"$nulls":4},73.08914935199999,"?"]
[1153,"CCOC=C","109-92-2","C=COCC","C=COCC",{"$nulls":4},72.057514876,"?"]
[1154,"C=COC=C","109-93-3","C=COC=C","C=COC=C",{"$nulls":4},70.041864812,"?"]
[1155,"CCOC=O","109-94-4","CCOC=O","CCOC=O",{"$nulls":4},74.036779432,"?"]
[1156,"N1C=CC=C1","109-97-7","c1cc[nH]c1","c1c[nH]cc1",{"$nulls":4},67.04219916,"?"]
[1157,"C1CCOC1","109-99-9","C1CCOC1","C1COCC1",{"$nulls":4},72.057514876,"?"]
[1158,"O1C=CC=C1","110-00-9","c1ccoc1","c1cocc1",{"$nulls":4},68.026214748,"?"]
[1159,"S1C=CC=C1","110-02-1","c1ccsc1","c1cscc1",{"$nulls":4},84.003371128,"?"]
[1160,"CC(C)(C)OOC(C)(C)C","110-05-4","CC(C)(C)OOC(C)(C)C","CC(C)(C)OOC(C)(C)C",{"$nulls":4},146.130679816,"?"]
[1161,"CC(C)CCC(C)=O","110-12-3","CC(=O)CCC(C)C","CC(=O)CCC(C)C",{"$nulls":4},114.104465068,"?"]
[1162,"NC(=O)CCC(N)=O","110-14-5","NC(=O)CCC(N)=O","NC(=O)CCC(N)=O",{"$nulls":4},116.058577496,"?"]
[1163,"OC(=O)CCC(O)=O","110-15-6","O=C(O)CCC(=O)O","O=C(O)CCC(=O)O",{"$nulls":4},118.02660867200001,"?"]
[1164,"OC(=O)C=CC(O)=O","110-16-7","O=C(O)C=CC(=O)O","O=C(O)C=CC(=O)O",{"$nulls":4},116.01095860800001,"?"]
[1165,"OC(=O)C=CC(O)=O","110-17-8","O=C(O)C=CC(=O)O","O=C(O)C=CC(=O)O",{"$nulls":4},116.01095860800001,"?"]
[1166,"CC(C)COC(C)=O","110-19-0","CC(=O)OCC(C)C","CC(=O)OCC(C)C",{"$nulls":4},116.083729624,"?"]
[1167,null,"110-20-3",{"$nulls":7},""]
[1168,"CCCCCCCCCC(=O)OCC","110-38-3","CCCCCCCCCC(=O)OCC","CCCCCCCCCC(=O)OCC",{"$nulls":4},200.177630008,"?"]
[1169,"CCOC(=O)CCCCCCCCC(=O)OCC","110-40-7","CCOC(=O)CCCCCCCCC(=O)OCC","CCOC(=O)CCCCCCCCC(=O)OCC",{"$nulls":4},258.18310931200006,"?"]
[1170,"CCCCCCCCCC(=O)OC","110-42-9","CCCCCCCCCC(=O)OC","CCCCCCCCCC(=O)OC",{"$nulls":4},186.161979944,"?"]
[1171,"CCCCCC(C)=O","110-43-0","CCCCCC(C)=O","CCCCCC(C)=O",{"$nulls":4},114.104465068,"?"]
[1172,"CC=CC=CC(O)=O","110-44-1","CC=CC=CC(=O)O","CC=CC=CC(=O)O",{"$nulls":4},112.052429496,"?"]
[1173,"CC(C)CCOC=O","110-45-2","CC(C)CCOC=O","CC(C)CCOC=O",{"$nulls":4},116.083729624,"?"]
[1174,"COCCOC(C)=O","110-49-6","COCCOC(C)=O","COCCOC(C)=O",{"$nulls":4},118.06299418,"?"]
[1175,"BrCCCCBr","110-52-1","BrCCCCBr","BrCCCCBr",{"$nulls":4},213.899274456,"?"]
[1176,"CCCCCBr","110-53-2","CCCCCBr","CCCCCBr",{"$nulls":4},150.004412452,"?"]
[1177,"CCCCCC","110-54-3","CCCCCC","CCCCCC",{"$nulls":4},86.109550448,"?"]
[1178,"ClCCCCCl","110-56-5","ClCCCCCl","ClCCCCCl",{"$nulls":4},126.00030561599999,"?"]
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[1313,"CCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC","117-84-0","CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC",{"$nulls":4},390.2770096960011,"?"]
[1314,null,"117-89-5",{"$nulls":7},""]
[1315,"NC1=NC(=O)C2=C(N1)N(C=N2)[CH]1O[CH](CO)[CH](O)[CH]1O","118-00-3","Nc1nc(=O)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1","Nc1[nH]c2c(c(n1)=O)ncn2C3C(C(C(O3)CO)O)O",{"$nulls":4},283.09166851600037,"?"]
[1316,"COC1=C(OC)C2=C(C=C1)[CH](OC2=O)[CH]1N(C)CCC2=C1C=C1OCOC1=C2","118-08-1","COc1ccc2c(c1OC)C(=O)OC2C1c2cc3c(cc2CCN1C)OCO3","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3cc5OCOc5c4)C)OC",{"$nulls":4},383.1368873920005,"?"]
[1317,"O[CH]([CH]1CC2CCN1C[CH]2C=C)C1=CC=NC2=C1C=CC=C2","118-10-5","C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",{"$nulls":4},294.1732133240006,"?"]
[1318,"NC1=CC2=CC(=CC(=C2C=C1)S(O)(=O)=O)S(O)(=O)=O","118-33-2","Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1","Nc1cc2c(cc1)c(S(=O)(=O)O)cc(S(=O)(=O)O)c2",{"$nulls":4},302.9871290080002,"?"]
[1319,"CCNC1=CC=CC2=CC=CC=C12","118-44-5","CCNc1cccc2ccccc12","CCNc1c2c(ccc1)cccc2",{"$nulls":4},171.104799416,"?"]
[1320,"CC1(C)N(Cl)C(=O)N(Cl)C1=O","118-52-5","CC1(C)C(=O)N(Cl)C(=O)N1Cl","CC1(N(C(N(C1=O)Cl)=O)Cl)C",{"$nulls":4},195.980632792,"?"]
[1321,"OC1=C(C=CC=C1)C(=O)OC1=CC=CC=C1","118-55-8","O=C(Oc1ccccc1)c1ccccc1O","O=C(Oc1ccccc1)c2c(cccc2)O",{"$nulls":4},214.06299418,"?"]
[1322,"CC1=C(O)C(=O)C=CO1","118-71-8","Cc1occc(=O)c1O","Cc1c(c(cco1)=O)O",{"$nulls":4},126.031694052,"?"]
[1323,"ClC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","118-74-1","Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},281.81311608,"?"]
[1324,"ClC1=C(Cl)C(=O)C(Cl)=C(Cl)C1=O","118-75-2","O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl","O=C1C(=C(C(C(=C1Cl)Cl)=O)Cl)Cl",{"$nulls":4},243.86523996,"?"]
[1325,"OC1=C(Br)C=C(Br)C=C1Br","118-79-6","Oc1c(Br)cc(Br)cc1Br","Oc1c(cc(cc1Br)Br)Br",{"$nulls":4},327.7734010160001,"?"]
[1326,"[O-][N+](=O)C1=C(C=C(Cl)C=C1)C(F)(F)F","118-83-2","O=[N+]([O-])c1ccc(Cl)cc1C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)Cl)C(F)(F)F",{"$nulls":4},224.980440676,"?"]
[1327,"CC1=C(C=CC=C1)C(O)=O","118-90-1","Cc1ccccc1C(=O)O","Cc1c(cccc1)C(=O)O",{"$nulls":4},136.052429496,"?"]
[1328,"OC(=O)C1=CC=CC=C1Cl","118-91-2","O=C(O)c1ccccc1Cl","O=C(O)c1c(cccc1)Cl",{"$nulls":4},155.99780708,"?"]
[1329,"NC1=C(C=CC=C1)C(O)=O","118-92-3","Nc1ccccc1C(=O)O","Nc1c(cccc1)C(=O)O",{"$nulls":4},137.047678464,"?"]
[1330,"CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","118-96-7","Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},227.01783488,"?"]
[1331,"CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C1=CC=CC=C1","119-12-0","CCOP(=S)(OCC)Oc1ccc(=O)n(-c2ccccc2)n1","CCOP(=S)(OCC)Oc1nn(c(cc1)=O)-c2ccccc2",{"$nulls":4},340.06466465400047,"?"]
[1332,null,"119-15-3",{"$nulls":7},""]
[1333,null,"119-19-7",{"$nulls":7},""]
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[1335,"CC1=CC(=C(O)C=C1)[N+]([O-])=O","119-33-5","Cc1ccc(O)c([N+](=O)[O-])c1","Cc1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},153.042593084,"?"]
[1336,"COC(=O)C1=C(O)C=CC=C1","119-36-8","COC(=O)c1ccccc1O","COC(=O)c1c(cccc1)O",{"$nulls":4},152.047344116,"?"]
[1337,"CC(C)N1N=C(C)C=C1OC(=O)N(C)C","119-38-0","Cc1cc(OC(=O)N(C)C)n(C(C)C)n1","Cc1nn(c(c1)OC(=O)N(C)C)C(C)C",{"$nulls":4},211.132076784,"?"]
[1338,"CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C","119-47-1","Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1","Cc1cc(c(c(c1)Cc2c(c(cc(c2)C)C(C)(C)C)O)O)C(C)(C)C","BIS",{"$nulls":3},513.1495547600009,"?"]
[1339,"CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1","119-48-2","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2",{"$nulls":4},398.289305696001,"?"]
[1340,"OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1","119-53-9","O=C(c1ccccc1)C(O)c1ccccc1","O=C(c1ccccc1)C(O)c2ccccc2",{"$nulls":4},212.083729624,"?"]
[1341,"OC(C1=CC=CC=C1)C1=CC=C(Cl)C=C1","119-56-2","OC(c1ccccc1)c1ccc(Cl)cc1","OC(c1ccccc1)c2ccc(cc2)Cl",{"$nulls":4},218.049842652,"?"]
[1342,"O=C(C1=CC=CC=C1)C1=CC=CC=C1","119-61-9","O=C(c1ccccc1)c1ccccc1","O=C(c1ccccc1)c2ccccc2",{"$nulls":4},182.07316494,"?"]
[1343,"C1CCC2=C(C1)C=CC=C2","119-64-2","c1ccc2c(c1)CCCC2","c1cc2c(cc1)CCCC2",{"$nulls":4},132.093900384,"?"]
[1344,"C1=CC2=C(C=C1)C=NC=C2","119-65-3","c1ccc2cnccc2c1","c1cc2c(cc1)cncc2",{"$nulls":4},129.057849224,"?"]
[1345,"CNC1=C(C=CC=C1)C(O)=O","119-68-6","CNc1ccccc1C(=O)O","CNc1c(cccc1)C(=O)O",{"$nulls":4},151.063328528,"?"]
[1346,"O=C1CCC2=C(O1)C=CC=C2","119-84-6","O=C1CCc2ccccc2O1","O=C1Oc2c(CC1)cccc2",{"$nulls":4},148.052429496,"?"]
[1347,"COC1=CC(=CC=C1N)C1=CC(OC)=C(N)C=C1","119-90-4","COc1cc(-c2ccc(N)c(OC)c2)ccc1N","COc1c(ccc(c1)-c2cc(c(cc2)N)OC)N",{"$nulls":4},244.121177752,"?"]
[1348,"C1=CC2=CC=C(N=C2C=C1)C1=CC=C2C=CC=CC2=N1","119-91-5","c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1","c1cc2c(cc1)nc(-c3nc4c(cc3)cccc4)cc2",{"$nulls":4},256.100048384,"?"]
[1349,"CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1","119-93-7","Cc1cc(-c2ccc(N)c(C)c2)ccc1N","Cc1c(ccc(c1)-c2cc(c(cc2)N)C)N",{"$nulls":4},212.131348512,"?"]
[1350,"OCCN(CCO)C1=CC=CC=C1","120-07-0","OCCN(CCO)c1ccccc1","OCCN(CCO)c1ccccc1",{"$nulls":4},181.11027872,"?"]
[1351,null,"120-12-7",{"$nulls":7},""]
[1352,"COC1=CC=C(C=O)C=C1OC","120-14-9","COc1ccc(C=O)cc1OC","COc1c(cc(cc1)C=O)OC",{"$nulls":4},166.06299418,"?"]
[1353,"OS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1","120-18-3","O=S(=O)(O)c1ccc2ccccc2c1","O=S(=O)(O)c1cc2c(cc1)cccc2",{"$nulls":4},208.019415116,"?"]
[1354,"CCOC1=CC=C(C=O)C=C1OC","120-25-2","CCOc1ccc(C=O)cc1OC","CCOc1c(cc(cc1)C=O)OC",{"$nulls":4},180.078644244,"?"]
[1355,"OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1","120-32-1","Oc1ccc(Cl)cc1Cc1ccccc1","Oc1c(cc(cc1)Cl)Cc2ccccc2",{"$nulls":4},218.049842652,"?"]
[1356,"CC(OC1=C(Cl)C=C(Cl)C=C1)C(O)=O","120-36-5","CC(Oc1ccc(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O",{"$nulls":4},233.985049476,"?"]
[1357,"CCOC(=O)C1=CC=C(O)C=C1","120-47-8","CCOC(=O)c1ccc(O)cc1","CCOC(=O)c1ccc(cc1)O",{"$nulls":4},166.06299418,"?"]
[1358,"O=CC1=CC=C2OCOC2=C1","120-57-0","O=Cc1ccc2c(c1)OCO2","O=Cc1cc2c(cc1)OCO2",{"$nulls":4},150.031694052,"?"]
[1359,"COC(=O)C1=CC=C(C=C1)C(=O)OC","120-61-6","COC(=O)c1ccc(C(=O)OC)cc1","COC(=O)c1ccc(cc1)C(=O)OC",{"$nulls":4},194.0579088,"?"]
[1360,"N1C=CC2=C1C=CC=C2","120-72-9","c1ccc2[nH]ccc2c1","c1cc2c(cc1)[nH]cc2",{"$nulls":4},117.057849224,"?"]
[1361,"N1C=NC2=CN=CN=C12","120-73-0","c1ncc2nc[nH]c2n1","c1nc2c(cn1)nc[nH]2",{"$nulls":4},120.04359612799999,"?"]
[1362,"S(SC1=NC2=C(S1)C=CC=C2)C1=NC2=C(S1)C=CC=C2","120-78-5","c1ccc2sc(SSc3nc4ccccc4s3)nc2c1","c1cc2c(cc1)sc(SSc3sc4c(n3)cccc4)n2",{"$nulls":4},331.9570322560002,"?"]
[1363,"OC1=C(O)C=CC=C1","120-80-9","Oc1ccccc1O","Oc1c(cccc1)O",{"$nulls":4},110.036779432,"?"]
[1364,"ClC1=CC(Cl)=C(Cl)C=C1","120-82-1","Clc1ccc(Cl)c(Cl)c1","Clc1cc(c(cc1)Cl)Cl",{"$nulls":4},179.930033136,"?"]
[1365,"OC1=C(Cl)C=C(Cl)C=C1","120-83-2","Oc1ccc(Cl)cc1Cl","Oc1c(cc(cc1)Cl)Cl",{"$nulls":4},161.963920108,"?"]
[1366,"O=C1NC(=O)C(=O)N1","120-89-8","O=C1NC(=O)C(=O)N1","O=C1NC(C(N1)=O)=O",{"$nulls":4},114.006541924,"?"]
[1367,"CC1=CC=C(C=C1S(O)(=O)=O)[N+]([O-])=O","121-03-9","Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)O",{"$nulls":4},217.004493324,"?"]
[1368,"CC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O","121-14-2","Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},182.032756672,"?"]
[1369,"CC(C)=C[CH]1[CH](C(=O)O[CH]2CC(=O)C(CC=CC=C)=C2C)C1(C)C","121-21-1","C=CC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",{"$nulls":4},328.20384475600076,"?"]
[1370,"COC(=O)C(C)=C[CH]1[CH](C(=O)O[CH]2CC(=O)C(CC=CC=C)=C2C)C1(C)C","121-29-9","C=CC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C(=O)OC)C2(C)C)CC1=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C(=O)OC)(C)C)=O",{"$nulls":4},372.1936739960008,"?"]
[1371,"CCOC1=C(O)C=CC(C=O)=C1","121-32-4","CCOc1cc(C=O)ccc1O","CCOc1c(ccc(c1)C=O)O",{"$nulls":4},166.06299418,"?"]
[1372,"COC1=C(O)C=CC(C=O)=C1","121-33-5","COc1cc(C=O)ccc1O","COc1c(ccc(c1)C=O)O",{"$nulls":4},152.047344116,"?"]
[1373,"COC1=CC(=CC=C1O)C(O)=O","121-34-6","COc1cc(C(=O)O)ccc1O","COc1c(ccc(c1)C(=O)O)O",{"$nulls":4},168.042258736,"?"]
[1374,"CCN(CC)CC","121-44-8","CCN(CC)CC","CCN(CC)CC",{"$nulls":4},101.12044947999999,"?"]
[1375,"NC1=CC=C(C=C1)S(O)(=O)=O","121-57-3","Nc1ccc(S(=O)(=O)O)cc1","Nc1ccc(cc1)S(=O)(=O)O",{"$nulls":4},173.014664084,"?"]
[1376,null,"121-61-9",{"$nulls":7},""]
[1377,"CN(C)C1=CC=CC=C1","121-69-7","CN(C)c1ccccc1","CN(C)c1ccccc1",{"$nulls":4},121.08914935199999,"?"]
[1378,"[O-][N+](=O)C1=CC=CC(Cl)=C1","121-73-3","O=[N+]([O-])c1cccc(Cl)c1","O=[N+]([O-])c1cc(ccc1)Cl",{"$nulls":4},156.993056048,"?"]
[1379,"CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC","121-75-5","CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC","CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC",{"$nulls":4},330.0360669580005,"?"]
[1380,"CCCOC(=O)C1=CC(O)=C(O)C(O)=C1","121-79-9","CCCOC(=O)c1cc(O)c(O)c(O)c1","CCCOC(=O)c1cc(c(c(c1)O)O)O",{"$nulls":4},212.068473484,"?"]
[1381,"[O-][N+](=O)N1CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O","121-82-4","O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])C1","O=[N+]([O-])N1CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},222.034881912,"?"]
[1382,"OC(=O)C1=CC(=CC=C1)C(O)=O","121-91-5","O=C(O)c1cccc(C(=O)O)c1","O=C(O)c1cc(ccc1)C(=O)O",{"$nulls":4},166.026608672,"?"]
[1383,"OC(=O)C1=CC=CC(=C1)[N+]([O-])=O","121-92-6","O=C(O)c1cccc([N+](=O)[O-])c1","O=C(O)c1cc(ccc1)[N+](=O)[O-]",{"$nulls":4},167.02185764,"?"]
[1384,"COC(=O)C1=CC=C(OC)C=C1","121-98-2","COC(=O)c1ccc(OC)cc1","COC(=O)c1ccc(cc1)OC",{"$nulls":4},166.06299418,"?"]
[1385,"CC(=O)C1=CC=C(C)C=C1","122-00-9","CC(=O)c1ccc(C)cc1","CC(=O)c1ccc(cc1)C",{"$nulls":4},134.07316494,"?"]
[1386,"COC1=NC(OC)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1","122-11-2","COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)OC",{"$nulls":4},310.0735759280004,"?"]
[1387,"COP(=S)(OC)OC1=CC=C(C(C)=C1)[N+]([O-])=O","122-14-5","COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C)c1","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])C",{"$nulls":4},277.01738011400033,"?"]
[1388,"CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1","122-15-6","CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1","CN(C)C(=O)OC=1CC(CC(C1)=O)(C)C",{"$nulls":4},211.120843404,"?"]
[1389,"CC(O)CN(CC(C)O)CC(C)O","122-20-3","CC(O)CN(CC(C)O)CC(C)O","CC(O)CN(CC(C)O)CC(C)O",{"$nulls":4},191.152143532,"?"]
[1390,"CCNC1=NC(NCC)=NC(Cl)=N1","122-34-9","CCNc1nc(Cl)nc(NCC)n1","CCNc1nc(nc(n1)Cl)NCC",{"$nulls":4},201.07812306399998,"?"]
[1391,"N(C1=CC=CC=C1)C1=CC=CC=C1","122-39-4","c1ccc(Nc2ccccc2)cc1","c1ccc(cc1)Nc2ccccc2",{"$nulls":4},169.089149352,"?"]
[1392,null,"122-42-9",{"$nulls":7},""]
[1393,"OC(=O)COC1=CC=CC=C1","122-59-8","O=C(O)COc1ccccc1","O=C(O)COc1ccccc1",{"$nulls":4},152.04734411599998,"?"]
[1394,"C(OC1=CC=CC=C1)C1CO1","122-60-1","c1ccc(OCC2CO2)cc1","c1ccc(cc1)OCC2OC2",{"$nulls":4},150.06807956,"?"]
[1395,"N(NC1=CC=CC=C1)C1=CC=CC=C1","122-66-7","c1ccc(NNc2ccccc2)cc1","c1ccc(cc1)NNc2ccccc2",{"$nulls":4},184.100048384,"?"]
[1396,"CC(=O)NC1=CC=C(N)C=C1","122-80-5","CC(=O)Nc1ccc(N)cc1","CC(=O)Nc1ccc(cc1)N",{"$nulls":4},150.07931294,"?"]
[1397,"OC(=O)COC1=CC=C(Cl)C=C1","122-88-3","O=C(O)COc1ccc(Cl)cc1","O=C(O)COc1ccc(cc1)Cl",{"$nulls":4},186.00837176399997,"?"]
[1398,"OCCCC1=CC=CC=C1","122-97-4","OCCCc1ccccc1","OCCCc1ccccc1",{"$nulls":4},136.088815004,"?"]
[1399,"OCCNC1=CC=CC=C1","122-98-5","OCCNc1ccccc1","OCCNc1ccccc1",{"$nulls":4},137.084063972,"?"]
[1400,"OCCOC1=CC=CC=C1","122-99-6","OCCOc1ccccc1","OCCOc1ccccc1",{"$nulls":4},138.06807956,"?"]
[1401,"CCCCC(CC)CCl","123-04-6","CCCCC(CC)CCl","CCCCC(CC)CCl",{"$nulls":4},148.101878224,"?"]
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[1513,"OC(C(O)C(O)=O)C(O)=O","133-37-9","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",{"$nulls":4},150.01643791200001,"?"]
[1514,null,"133-38-0",{"$nulls":7},""]
[1515,"CC1=CC(O)=C(Cl)C(C)=C1Cl","133-53-9","Cc1cc(O)c(Cl)c(C)c1Cl","Cc1c(c(c(c(c1)O)Cl)C)Cl",{"$nulls":4},189.995220236,"?"]
[1516,"NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl","133-67-5","NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)C(Cl)Cl)(=O)=O)Cl",{"$nulls":4},378.9021807760002,"?"]
[1517,"NC1=C(Cl)C(=CC(Cl)=C1)C(O)=O","133-90-4","Nc1cc(Cl)cc(C(=O)O)c1Cl","Nc1c(c(cc(c1)Cl)C(=O)O)Cl",{"$nulls":4},204.96973376,"?"]
[1518,"OC(=O)C1=C(O)C(I)=CC(I)=C1","133-91-5","O=C(O)c1cc(I)cc(I)c1O","O=C(O)c1c(c(cc(c1)I)I)O",{"$nulls":4},389.8249899880001,"?"]
[1519,"COC(=O)C1=C(N)C=CC=C1","134-20-3","COC(=O)c1ccccc1N","COC(=O)c1c(cccc1)N",{"$nulls":4},151.063328528,"?"]
[1520,"NC1=CC=CC2=C1C=CC=C2","134-32-7","Nc1cccc2ccccc12","Nc1c2c(ccc1)cccc2",{"$nulls":4},143.073499288,"?"]
[1521,null,"134-55-4",{"$nulls":7},""]
[1522,"CCC1=CC=CC=C1CC","135-01-3","CCc1ccccc1CC","CCc1c(cccc1)CC",{"$nulls":4},134.109550448,"?"]
[1523,"NS(=O)(=O)C1=C(C=C2NCNS(=O)(=O)C2=C1)C(F)(F)F","135-09-1","NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)C(F)(F)F",{"$nulls":4},330.9908323960002,"?"]
[1524,"OC1=CC2=C(C=CC=C2)C=C1","135-19-3","Oc1ccc2ccccc2c1","Oc1cc2c(cc1)cccc2",{"$nulls":4},144.057514876,"?"]
[1525,null,"135-68-2",{"$nulls":7},""]
[1526,"CCC(C)C1=CC=CC=C1","135-98-8","CCC(C)c1ccccc1","CCC(C)c1ccccc1",{"$nulls":4},134.109550448,"?"]
[1527,"N(N=NC1=CC=CC=C1)C1=CC=CC=C1","136-35-6","c1ccc(N=NNc2ccccc2)cc1","c1ccc(cc1)N=NNc2ccccc2",{"$nulls":4},197.095297352,"?"]
[1528,"CCCCOC(=O)C1=CC=CC=C1","136-60-7","CCCCOC(=O)c1ccccc1","CCCCOC(=O)c1ccccc1",{"$nulls":4},178.099379688,"?"]
[1529,"CCCCCCC1=C(O)C=C(O)C=C1","136-77-6","CCCCCCc1ccc(O)cc1O","CCCCCCc1c(cc(cc1)O)O",{"$nulls":4},194.130679816,"?"]
[1530,null,"136-79-8",{"$nulls":7},""]
[1531,"CC1=CC(C)=C(N)C=C1C","137-17-7","Cc1cc(C)c(N)cc1C","Cc1c(cc(c(c1)C)N)C",{"$nulls":4},135.104799416,"?"]
[1532,"CCC(C)CO","137-32-6","CCC(C)CO","CCC(C)CO",{"$nulls":4},88.088815004,"?"]
[1533,"[Na+].CCC([O-])=O","137-40-6","CCC(=O)[O-]","CCC(=O)O","[Na+]",{"$nulls":3},96.01872368000001,"Structure has been neutralized"]
[1534,null,"137-42-8",{"$nulls":7},""]
[1535,"CCN(CC)CC(=O)NC1=C(C)C=CC=C1C","137-58-6","CCN(CC)CC(=O)Nc1c(C)cccc1C","CCN(CC)CC(=O)Nc1c(cccc1C)C",{"$nulls":4},234.173213324,"?"]
[1536,"Cl.N[CH](CCC(O)=O)C(O)=O","138-15-8","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","Cl",{"$nulls":3},183.02983548,"?"]
[1537,"CCCCOC(=O)C(C)O","138-22-7","CCCCOC(=O)C(C)O","CCCCOC(=O)C(C)O",{"$nulls":4},146.094294308,"?"]
[1538,"NNC1=CC(=CC=C1)S(O)(=O)=O","138-30-7","NNc1cccc(S(=O)(=O)O)c1","NNc1cc(ccc1)S(=O)(=O)O",{"$nulls":4},188.025563116,"?"]
[1539,"NCC1=CC=C(C=C1)S(N)(=O)=O","138-39-6","NCc1ccc(S(N)(=O)=O)cc1","NCc1ccc(cc1)S(N)(=O)=O",{"$nulls":4},186.04629856,"?"]
[1540,"OC[CH]1O[CH](OC2=C(CO)C=CC=C2)[CH](O)[CH](O)[CH]1O","138-52-3","OCc1ccccc1OC1OC(CO)C(O)C(O)C1O","OCc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",{"$nulls":4},286.1052529160005,"?"]
[1541,"O[CH]1CC(=C[CH](O)[CH]1O)C(O)=O","138-59-0","O=C(O)C1=CC(O)C(O)C(O)C1","O=C(O)C=1CC(C(C(C1)O)O)O",{"$nulls":4},174.05282342,"?"]
[1542,"CC(=C)C1CCC(C)=CC1","138-86-3","C=C(C)C1CC=C(C)CC1","C=C(C)C1CCC(=CC1)C",{"$nulls":4},136.125200512,"?"]
[1543,"CC(=C)C1CCC(C)(O)CC1","138-87-4","C=C(C)C1CCC(C)(O)CC1","C=C(C)C1CCC(CC1)(C)O",{"$nulls":4},154.135765196,"?"]
[1544,"OC(=O)CN(CC(O)=O)CC(O)=O","139-13-9","O=C(O)CN(CC(=O)O)CC(=O)O","O=C(O)CN(CC(=O)O)CC(=O)O",{"$nulls":4},191.042987008,"?"]
[1545,"CC(C)NC1=NC(NC(C)C)=NC(Cl)=N1","139-40-2","CC(C)Nc1nc(Cl)nc(NC(C)C)n1","CC(C)Nc1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},229.10942319199998,"?"]
[1546,"CCC(=O)OCC(COC(=O)CC)OC(=O)CC","139-45-7","CCC(=O)OCC(COC(=O)CC)OC(=O)CC","CCC(=O)OCC(COC(=O)CC)OC(=O)CC",{"$nulls":4},260.1259883600001,"?"]
[1547,"OC1=C(O)C=C(C=O)C=C1","139-85-5","O=Cc1ccc(O)c(O)c1","O=Cc1cc(c(cc1)O)O",{"$nulls":4},138.031694052,"?"]
[1548,null,"139-86-6",{"$nulls":7},""]
[1549,"CCN(CCO)CCO","139-87-7","CCN(CCO)CCO","CCN(CCO)CCO",{"$nulls":4},133.11027872,"?"]
[1550,"[O-][N+](=O)C1=CC=C(O1)C=NN1CC(CN2CCOCC2)OC1=O","139-91-3","O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1","O=C1N(CC(O1)CN2CCOCC2)N=Cc3oc(cc3)[N+](=O)[O-]",{"$nulls":4},324.1069842320004,"?"]
[1551,"CCNC(=O)NC1=NC=C(S1)[N+]([O-])=O","139-94-6","CCNC(=O)Nc1ncc([N+](=O)[O-])s1","CCNC(=O)Nc1sc(cn1)[N+](=O)[O-]",{"$nulls":4},216.031711116,"?"]
[1552,"OC(=O)C=CC1=CC=CC=C1","140-10-3","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1",{"$nulls":4},148.052429496,"?"]
[1553,"CC(=O)OCC1=CC=CC=C1","140-11-4","CC(=O)OCc1ccccc1","CC(=O)OCc1ccccc1",{"$nulls":4},150.06807956,"?"]
[1554,"C(CNCC1=CC=CC=C1)NCC1=CC=CC=C1","140-28-3","c1ccc(CNCCNCc2ccccc2)cc1","c1ccc(cc1)CNCCNCc2ccccc2",{"$nulls":4},240.16264864,"?"]
[1555,"N#CCC1=CC=CC=C1","140-29-4","N#CCc1ccccc1","N#CCc1ccccc1",{"$nulls":4},117.057849224,"?"]
[1556,"[Na+].CN(C)C1=CC=C(C=C1)N=NS([O-])(=O)=O","140-56-7","CN(C)c1ccc(N=NS(=O)(=O)[O-])cc1","CN(C)c1ccc(cc1)N=NS(=O)(=O)O","[Na+]",{"$nulls":3},251.03405646,"Structure has been neutralized"]
[1557,"COC1=CC=C(CC=C)C=C1","140-67-0","C=CCc1ccc(OC)cc1","C=CCc1ccc(cc1)OC",{"$nulls":4},148.088815004,"?"]
[1558,null,"140-77-2",{"$nulls":7},""]
[1559,"CCOC(=O)C=C","140-88-5","C=CC(=O)OCC","C=CC(=O)OCC",{"$nulls":4},100.052429496,"?"]
[1560,"CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC","141-02-6","CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC",{"$nulls":4},340.261359632001,"?"]
[1561,"CCCCOC(=O)CCC(=O)OCCCC","141-03-7","CCCCOC(=O)CCC(=O)OCCCC","CCCCOC(=O)CCC(=O)OCCCC",{"$nulls":4},230.151809184,"?"]
[1562,"CCOC(=O)C=CC(=O)OCC","141-05-9","CCOC(=O)C=CC(=O)OCC","CCOC(=O)C=CC(=O)OCC",{"$nulls":4},172.073558864,"?"]
[1563,"CCOC(=O)CCCCC(=O)OCC","141-28-6","CCOC(=O)CCCCC(=O)OCC","CCOC(=O)CCCCC(=O)OCC",{"$nulls":4},202.120509056,"?"]
[1564,"CCCCOC(=O)C=C","141-32-2","C=CC(=O)OCCCC","C=CC(=O)OCCCC",{"$nulls":4},128.083729624,"?"]
[1565,"NCCO","141-43-5","NCCO","NCCO",{"$nulls":4},61.052763844,"?"]
[1566,"[Na+].[O-]C=O","141-53-7","O=C[O-]","O=CO","[Na+]",{"$nulls":3},67.987423552,"Structure has been neutralized"]
[1567,"C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","141-62-8","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C",{"$nulls":4},310.1272009400008,"?"]
[1568,"COP(=O)(OC)OC(C)=CC(=O)N(C)C","141-66-2","COP(=O)(OC)OC(C)=CC(=O)N(C)C","COP(=O)(OC)OC(C)=CC(=O)N(C)C",{"$nulls":4},237.07660924200002,"?"]
[1569,null,"141-76-4",{"$nulls":7},""]
[1570,"CCOC(C)=O","141-78-6","CCOC(C)=O","CCOC(C)=O",{"$nulls":4},88.052429496,"?"]
[1571,"CC(C)=CC(C)=O","141-79-7","CC(=O)C=C(C)C","CC(=O)C=C(C)C",{"$nulls":4},98.07316494,"?"]
[1572,"OC(=O)CC(O)=O","141-82-2","O=C(O)CC(=O)O","O=C(O)CC(=O)O",{"$nulls":4},104.01095860800001,"?"]
[1573,"O=C1CSC(=S)N1","141-84-4","O=C1CSC(=S)N1","O=C1NC(SC1)=S",{"$nulls":4},132.965605716,"?"]
[1574,"O=C1NC(=S)NC=C1","141-90-2","O=c1cc[nH]c(=S)[nH]1","O=c1[nH]c([nH]cc1)=S",{"$nulls":4},128.004433748,"?"]
[1575,"CCC1=CC(CC)=CC=C1","141-93-5","CCc1cccc(CC)c1","CCc1cc(ccc1)CC",{"$nulls":4},134.109550448,"?"]
[1576,"CCOC(=O)CC(C)=O","141-97-9","CCOC(=O)CC(C)=O","CCOC(=O)CC(C)=O",{"$nulls":4},130.06299418,"?"]
[1577,"O=C1NC=CC=C1","142-08-5","O=c1cccc[nH]1","O=c1[nH]cccc1",{"$nulls":4},95.03711378,"?"]
[1578,"CC(=O)NCCO","142-26-7","CC(=O)NCCO","CC(=O)NCCO",{"$nulls":4},103.063328528,"?"]
[1579,"ClCCCCl","142-28-9","ClCCCCl","ClCCCCl",{"$nulls":4},111.98465555199999,"?"]
[1580,"C1CC=CC1","142-29-0","C1=CCCC1","C=1CCCC1",{"$nulls":4},68.062600256,"?"]
[1581,null,"142-46-1",{"$nulls":7},""]
[1582,"[Na+].N[CH](CCC(O)=O)C([O-])=O","142-47-2","NC(CCC(=O)O)C(=O)[O-]","NC(CCC(=O)O)C(=O)O","[Na+]",{"$nulls":3},169.035102016,"Structure has been neutralized"]
[1583,"[Na+].[Na+].[S-]C(=S)NCCNC([S-])=S","142-59-6","S=C([S-])NCCNC(=S)[S-]","S=C(S)NCCNC(=S)S","[Na+]","[Na+]",null,null,255.920920752,"Structure has been neutralized"]
[1584,"CCCCCC(O)=O","142-62-1","CCCCCC(=O)O","CCCCCC(=O)O",{"$nulls":4},116.083729624,"?"]
[1585,null,"142-64-3",{"$nulls":7},""]
[1586,"C1CCOCC1","142-68-7","C1CCOCC1","C1CCOCC1",{"$nulls":4},86.07316494,"?"]
[1587,"OC(=O)CNCC(O)=O","142-73-4","O=C(O)CNCC(=O)O","O=C(O)CNCC(=O)O",{"$nulls":4},133.037507704,"?"]
[1588,"CCCCCCC","142-82-5","CCCCCCC","CCCCCCC",{"$nulls":4},100.12520051199999,"?"]
[1589,"CCCNCCC","142-84-7","CCCNCCC","CCCNCCC",{"$nulls":4},101.12044947999999,"?"]
[1590,"CCCCCCOC(C)=O","142-92-7","CCCCCCOC(C)=O","CCCCCCOC(C)=O",{"$nulls":4},144.115029752,"?"]
[1591,"CCCCOCCCC","142-96-1","CCCCOCCCC","CCCCOCCCC",{"$nulls":4},130.135765196,"?"]
[1592,"CCCCCCCCCCCC(O)=O","143-07-7","CCCCCCCCCCCC(=O)O","CCCCCCCCCCCC(=O)O",{"$nulls":4},200.177630008,"?"]
[1593,"CCCCCCCCCO","143-08-8","CCCCCCCCCO","CCCCCCCCCO",{"$nulls":4},144.15141526,"?"]
[1594,"CCCCCCNCCCCCC","143-16-8","CCCCCCNCCCCCC","CCCCCCNCCCCCC",{"$nulls":4},185.21434986399998,"?"]
[1595,"CCCCOCCOCCOCCO","143-22-6","CCCCOCCOCCOCCO","CCCCOCCOCCOCCO",{"$nulls":4},206.151809184,"?"]
[1596,"ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl","143-50-0","O=C1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","O=C1C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},485.68344141999995,"?"]
[1597,"[Na+].CCC(C)C1(CC)C(O)=NC(=O)N=C1[O-]","143-81-7","CCC(C)C1(CC)C([O-])=NC(=O)N=C1O","CCC(C)C1(C(=NC(N=C1O)=O)O)CC","[Na+]",{"$nulls":3},234.09803662,"Structure has been neutralized"]
[1598,"OC(=O)CC1(CC(O)=O)OCOC1=O","144-16-1","O=C(O)CC1(CC(=O)O)OCOC1=O","O=C(O)CC1(C(OCO1)=O)CC(=O)O",{"$nulls":4},204.02700259600002,"?"]
[1599,"CC(C)C(O)C(C)(C)CO","144-19-4","CC(C)C(O)C(C)(C)CO","CC(C)C(O)C(C)(C)CO",{"$nulls":4},146.130679816,"?"]
[1600,"[Na+].[Na+].C[As]([O-])([O-])=O","144-21-8","C[As](=O)([O-])[O-]","C[As](=O)(O)O","[Na+]","[Na+]",null,null,183.909354016,"Structure has been neutralized"]
[1601,null,"144-49-0",{"$nulls":7},""]
[1602,"OC(=O)C(O)=O","144-62-7","O=C(O)C(=O)O","O=C(O)C(=O)O",{"$nulls":4},89.995308544,"?"]
[1603,"CC(=O)NS(=O)(=O)C1=CC=C(N)C=C1","144-80-9","CC(=O)NS(=O)(=O)c1ccc(N)cc1","CC(=O)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},214.04121318,"?"]
[1604,"CC1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)S1","144-82-1","Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},270.0245175600003,"?"]
[1605,"NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1","144-83-2","Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2",{"$nulls":4},249.057197592,"?"]
[1606,null,"144-98-9",{"$nulls":7},""]
[1607,"CC(=O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C","145-13-1","CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C","CC(=O)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C",{"$nulls":4},316.2402302640009,"?"]
[1608,"OC(=O)C1C2CCC(O2)C1C(O)=O","145-73-3","O=C(O)C1C2CCC(O2)C1C(=O)O","O=C(O)C1C(C2CCC1O2)C(=O)O",{"$nulls":4},186.05282342,"?"]
[1609,"O[CH]([CH](O)C(O)=O)C(O)=O","147-71-7","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",{"$nulls":4},150.01643791200001,"?"]
[1610,null,"147-73-9",{"$nulls":7},""]
[1611,"OC[CH](O)[CH](O)[CH](O)C=O","147-81-9","O=CC(O)C(O)C(O)CO","O=CC(O)C(O)C(O)CO",{"$nulls":4},150.05282342,"?"]
[1612,"OC(=O)C1CCCN1","147-85-3","O=C(O)C1CCCN1","O=C(O)C1NCCC1",{"$nulls":4},115.063328528,"?"]
[1613,"CC1=C(C=C(C=C1C(N)=O)[N+]([O-])=O)[N+]([O-])=O","148-01-6","Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1C(N)=O)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},225.038570324,"?"]
[1614,"OC1=CC=CC2=CC=CN=C12","148-24-3","Oc1cccc2cccnc12","Oc1c2c(ccc1)cccn2",{"$nulls":4},145.052763844,"?"]
[1615,null,"148-56-1",{"$nulls":7},""]
[1616,"CN(C)CCN(CC1=CC=C(Cl)S1)C1=CC=CC=N1","148-65-2","CN(C)CCN(Cc1ccc(Cl)s1)c1ccccn1","CN(C)CCN(Cc1sc(cc1)Cl)c2ncccc2",{"$nulls":4},295.09099625600055,"?"]
[1617,"N1C2=C(C=CC=C2)N=C1C1=CSC=N1","148-79-8","c1ccc2[nH]c(-c3cscn3)nc2c1","c1cc2c(cc1)[nH]c(-c3ncsc3)n2",{"$nulls":4},201.036068224,"?"]
[1618,"OS(=O)(=O)OCCOC1=C(Cl)C=C(Cl)C=C1","149-26-8","O=S(=O)(O)OCCOc1ccc(Cl)cc1Cl","O=S(=O)(O)OCCOc1c(cc(cc1)Cl)Cl",{"$nulls":4},285.94694971600023,"?"]
[1619,"SC1=NC2=C(S1)C=CC=C2","149-30-4","Sc1nc2ccccc2s1","Sc1sc2c(n1)cccc2",{"$nulls":4},166.98634116,"?"]
[1620,"OC[CH](O)[CH](O)CO","149-32-6","OCC(O)C(O)CO","OCC(O)C(O)CO",{"$nulls":4},122.0579088,"?"]
[1621,"CCCCC(CC)C(O)=O","149-57-5","CCCCC(CC)C(=O)O","CCCCC(CC)C(=O)O",{"$nulls":4},144.115029752,"?"]
[1622,"OC(=O)C1=CC(O)=C(O)C(O)=C1","149-91-7","O=C(O)c1cc(O)c(O)c(O)c1","O=C(O)c1cc(c(c(c1)O)O)O",{"$nulls":4},170.021523292,"?"]
[1623,"NC1=CC=C(C=C1)C(O)=O","150-13-0","Nc1ccc(C(=O)O)cc1","Nc1ccc(cc1)C(=O)O",{"$nulls":4},137.047678464,"?"]
[1624,"COC1=CC=CC(O)=C1","150-19-6","COc1cccc(O)c1","COc1cc(ccc1)O",{"$nulls":4},124.052429496,"?"]
[1625,"NC(CC1=CC=CC=C1)C(O)=O","150-30-1","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",{"$nulls":4},165.078978592,"?"]
[1626,"CN(C)C(=O)NC1=CC=C(Cl)C=C1","150-68-5","CN(C)C(=O)Nc1ccc(Cl)cc1","CN(C)C(=O)Nc1ccc(cc1)Cl",{"$nulls":4},198.055990652,"?"]
[1627,"CCOC1=CC=C(NC(N)=O)C=C1","150-69-6","CCOc1ccc(NC(N)=O)cc1","CCOc1ccc(cc1)NC(N)=O",{"$nulls":4},180.089877624,"?"]
[1628,"COC1=CC=C(O)C=C1","150-76-5","COc1ccc(O)cc1","COc1ccc(cc1)O",{"$nulls":4},124.052429496,"?"]
[1629,"[Na+].[Na+].[O-]C(=O)CCC([O-])=O","150-90-3","O=C([O-])CCC(=O)[O-]","O=C(O)CCC(=O)O","[Na+]","[Na+]",null,null,161.99049716800002,"Structure has been neutralized"]
[1630,"[K+].[C-]#N","151-50-8","[K+]","[K+]","[C-]#N",{"$nulls":3},64.96678068,"?"]
[1631,"C1CN1","151-56-4","C1CN1","C1NC1",{"$nulls":4},43.042199159999996,"?"]
[1632,"FC(F)(F)C(Cl)Br","151-67-7","FC(F)(F)C(Cl)Br","FC(F)(F)C(Cl)Br",{"$nulls":4},195.890224472,"?"]
[1633,"CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C","152-16-9","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C",{"$nulls":4},286.13236388800067,"?"]
[1634,"NC1=C(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)C(O)=NC(=N)N1","152-93-2","N=c1nc(O)c(OC2OC(CO)C(O)C(O)C2O)c(N)[nH]1","N=c1[nH]c(c(c(n1)O)OC2C(C(C(C(O2)CO)O)O)O)N",{"$nulls":4},304.10189885200055,"?"]
[1635,"[H][C]12C[CH](C)[CH](C(=O)CO)[C]1(C)C[CH](O)[C]1([H])[C]2([H])C[CH](F)C2=CC(=O)C=C[C]12C","152-97-6","CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)C(O)C2)C)C(=O)CO",{"$nulls":4},376.2049876280007,"?"]
[1636,null,"154-93-8",{"$nulls":7},""]
[1637,"OC(=O)CC1=CC=C(O)C=C1","156-38-7","O=C(O)Cc1ccc(O)cc1","O=C(O)Cc1ccc(cc1)O",{"$nulls":4},152.047344116,"?"]
[1638,"ClC=CCl","156-59-2","ClC=CCl","ClC=CCl",{"$nulls":4},95.953355424,"?"]
[1639,"ClC=CCl","156-60-5","ClC=CCl","ClC=CCl",{"$nulls":4},95.953355424,"?"]
[1640,null,"176-25-0",{"$nulls":7},""]
[1641,"C1=CC2=C3C4=C1C=CC1=C4C4=C(C=C1)C=CC1=C4C3=C(C=C2)C=C1","191-07-1","c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61","c1c2ccc3ccc4ccc5ccc6ccc(c1)c7c2c3c4c5c67",{"$nulls":4},300.09390038400034,"?"]
[1642,"C1=CC2=C3C(=C1)C1=C4C(C=CC5=C4C3=C(C=C2)C=C5)=CC=C1","191-24-2","c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56","c1cc2c3cccc4ccc5ccc6ccc(c1)c2c6c5c43",{"$nulls":4},276.09390038400034,"?"]
[1643,"C1=CC2=C3C=CC=C4C=CC5=CC=CC(=C2C=C1)C5=C34","192-97-2","c1ccc2c(c1)c1cccc3ccc4cccc2c4c31","c1cc2c(cc1)c3cccc4ccc5cccc2c5c43",{"$nulls":4},252.093900384,"?"]
[1644,"C1=CC2=C(C=C1)C1=C3C2=CC2=C4C(C=CC(C=C1)=C34)=CC=C2","193-39-5","c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45","c1cc-2c(cc1)-c3cc4cccc5ccc6ccc2c3c6c54",{"$nulls":4},276.09390038400034,"?"]
[1645,"N1C2=C(C3=C1C=CC1=CC=CC=C31)C1=CC=CC=C1C=C2","194-59-2","c1ccc2c(c1)ccc1[nH]c3ccc4ccccc4c3c12","c1cc2c(cc1)c3c(cc2)[nH]c4c3c5c(cc4)cccc5",{"$nulls":4},267.10479941600033,"?"]
[1646,"C1=CC=C2C(C=CC3=C2C2=CC=CC=C2C=C3)=C1","195-19-7","c1ccc2c(c1)ccc1ccc3ccccc3c12","c1cc2c(cc1)c3c(cc2)ccc4c3cccc4",{"$nulls":4},228.093900384,"?"]
[1647,"C1=CC2=C3C(=C1)C1=CC=CC4=C1C(=CC=C4)C3=CC=C2","198-55-0","c1cc2cccc3c4cccc5cccc(c(c1)c23)c54","c1cc2c3cccc4cccc(c5cccc(c1)c52)c43",{"$nulls":4},252.093900384,"?"]
[1648,null,"203-20-3",{"$nulls":7},""]
[1649,"C1C2=CC=CC3=C2C2=C1C=CC=C2C=C3","203-64-5","c1cc2c3c(c1)ccc1cccc(c13)C2","c1cc2c3c(c1)Cc4cccc(cc2)c34",{"$nulls":4},190.07825032,"?"]
[1650,"C1=CC2=C(C=C1)C1=C(C=C2)C2=CC=CC3=CC=CC1=C23","205-82-3","c1ccc2c3c(ccc2c1)-c1cccc2cccc-3c12","c1cc2c(cc1)c3-c4cccc5cccc(-c3cc2)c54",{"$nulls":4},252.093900384,"?"]
[1651,"C1=CC=C2C(=C1)C1=CC=CC3=C4C=CC=CC4=CC2=C13","205-99-2","c1ccc2c(c1)-c1cccc3c1c-2cc1ccccc13","c1cc-2c(cc1)-c3c4c2cccc4c5c(c3)cccc5",{"$nulls":4},252.093900384,"?"]
[1652,"C1=CC2=C(C=C1)C1=C3C2=CC=CC3=CC=C1","206-44-0","c1ccc2c(c1)-c1cccc3cccc-2c13","c1cc-2c(cc1)-c3cccc4cccc2c43",{"$nulls":4},202.07825032,"?"]
[1653,"C1=CC2=CC3=C(C=C2C=C1)C1=C2C3=CC=CC2=CC=C1","207-08-9","c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12","c1cc2c(cc1)cc3-c4cccc5cccc(-c3c2)c54",{"$nulls":4},252.093900384,"?"]
[1654,"C1=CC2=C3C1=CC=CC3=CC=C2","208-96-8","C1=Cc2cccc3cccc1c23","C=1c2cccc3cccc(C1)c32",{"$nulls":4},152.062600256,"?"]
[1655,"C1=CC=C2C(C=CC3=C4C=CC5=CC=CC=C5C4=CC=C23)=C1","213-46-7","c1ccc2c(c1)ccc1c2ccc2c3ccccc3ccc21","c1cc2c(cc1)c3c(cc2)c4c(cc3)c5c(cccc5)cc4",{"$nulls":4},278.1095504480004,"?"]
[1656,"C1=CC=C2C=C3C4=CC=CC=C4C4=CC=CC=C4C3=CC2=C1","215-58-7","c1ccc2cc3c4ccccc4c4ccccc4c3cc2c1","c1cc2c(cc1)cc3c(c4c(c5c3cccc5)cccc4)c2",{"$nulls":4},278.1095504480004,"?"]
[1657,"C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21","217-59-4","c1ccc2c(c1)c1ccccc1c1ccccc21","c1cc2c(cc1)c3c(c4c2cccc4)cccc3",{"$nulls":4},228.093900384,"?"]
[1658,"C1=CC2=C(C=C1)C1=C(C=C2)C2=C(C=CC=C2)C=C1","218-01-9","c1ccc2c(c1)ccc1c3ccccc3ccc21","c1cc2c(cc1)c3c(cc2)c4c(cccc4)cc3",{"$nulls":4},228.093900384,"?"]
[1659,"C1=CC=C2C(C=CC3=CC4=C(C=C23)C2=CC=CC=C2C=C4)=C1","224-41-9","c1ccc2c(c1)ccc1cc3ccc4ccccc4c3cc12","c1cc2c(cc1)c3c(cc2)cc4c(c5c(cc4)cccc5)c3",{"$nulls":4},278.1095504480004,"?"]
[1660,"N1C2=C(SC3=C1C1=CC=CC=C1C=C3)C=CC1=CC=CC=C21","224-62-4","c1ccc2c3c(ccc2c1)Sc1ccc2ccccc2c1N3","c1cc2c(cc1)c3Nc4c(Sc3cc2)ccc5c4cccc5",{"$nulls":4},299.07687041600036,"?"]
[1661,"N1C2=C(SC3=C1C=CC1=CC=CC=C31)C1=CC=CC=C1C=C2","224-72-6","c1ccc2c3c(ccc2c1)Nc1ccc2ccccc2c1S3","c1cc2c(cc1)c3Sc4c(Nc3cc2)ccc5c4cccc5",{"$nulls":4},299.07687041600036,"?"]
[1662,null,"225-83-2",{"$nulls":7},""]
[1663,"N1C2=CC=CC=C2SC2=C1C=CC1=CC=CC=C21","226-06-2","c1ccc2c(c1)Nc1ccc3ccccc3c1S2","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4",{"$nulls":4},249.061220352,"?"]
[1664,"C1=CC=C2C(C=CC3=NC4=C(C=C23)C2=CC=CC=C2C=C4)=C1","226-36-8","c1ccc2c(c1)ccc1nc3ccc4ccccc4c3cc12","c1cc2c(cc1)c3c(cc2)nc4c(c5c(cc4)cccc5)c3",{"$nulls":4},279.10479941600033,"?"]
[1665,"C1=CC=C2C(=C1)C=NC1=CC=CC=C21","229-87-8","c1ccc2c(c1)cnc1ccccc12","c1cc2c(cc1)c3c(nc2)cccc3",{"$nulls":4},179.073499288,"?"]
[1666,null,"230-46-6",{"$nulls":7},""]
[1667,"C1C2=CC=CC=C2C2=CC=C3C=CC=CC3=C12","238-84-6","c1ccc2c(c1)Cc1c-2ccc2ccccc12","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4",{"$nulls":4},216.093900384,"?"]
[1668,null,"239-64-5",{"$nulls":7},""]
[1669,"C1C2=CC=CC=C2C2=C1C=C1C=CC=CC1=C2","243-17-4","c1ccc2c(c1)Cc1cc3ccccc3cc1-2","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3",{"$nulls":4},216.093900384,"?"]
[1670,"C1=CC=C2C=NN=CC2=C1","253-52-1","c1ccc2cnncc2c1","c1cc2c(cc1)cnnc2",{"$nulls":4},130.053098192,"?"]
[1671,"C1=CC2=CC3=CC=CC=C3N=C2C=C1","260-94-6","c1ccc2nc3ccccc3cc2c1","c1cc2c(cc1)nc3c(cccc3)c2",{"$nulls":4},179.073499288,"?"]
[1672,"O1C2=CC=CC=C2OC2=C1C=CC=C2","262-12-4","c1ccc2c(c1)Oc1ccccc1O2","c1cc2c(cc1)Oc3c(O2)cccc3",{"$nulls":4},184.052429496,"?"]
[1673,"N1N=CC2=CC=CC=C12","271-44-3","c1ccc2[nH]ncc2c1","c1cc2c(cc1)[nH]nc2",{"$nulls":4},118.053098192,"?"]
[1674,null,"273-40-5",{"$nulls":7},""]
[1675,"O1C=NC2=CC=CC=C12","273-53-0","c1ccc2ocnc2c1","c1cc2c(cc1)ocn2",{"$nulls":4},119.03711378,"?"]
[1676,"C1CN2CCN1CC2","280-57-9","C1CN2CCN1CC2","C1N2CCN(C1)CC2",{"$nulls":4},112.10004838399999,"?"]
[1677,"C1CCCC1","287-92-3","C1CCCC1","C1CCCC1",{"$nulls":4},70.07825032,"?"]
[1678,"N1C=CC=N1","288-13-1","c1cn[nH]c1","c1c[nH]nc1",{"$nulls":4},68.037448128,"?"]
[1679,"O1C=CC=N1","288-14-2","c1cnoc1","c1conc1",{"$nulls":4},69.021463716,"?"]
[1680,"S1C=CN=N1","288-48-2","c1csnn1","c1nnsc1",{"$nulls":4},85.993869064,"?"]
[1681,"C1=CC=NN=C1","289-80-5","c1ccnnc1","c1cnncc1",{"$nulls":4},80.037448128,"?"]
[1682,"C1=CN=CN=C1","289-95-2","c1cncnc1","c1cncnc1",{"$nulls":4},80.037448128,"?"]
[1683,"C1CCCCCC1","291-64-5","C1CCCCCC1","C1CCCCCC1",{"$nulls":4},98.109550448,"?"]
[1684,"C1CCCCCCC1","292-64-8","C1CCCCCCC1","C1CCCCCCC1",{"$nulls":4},112.12520051199999,"?"]
[1685,"CCOP(=S)(OCC)OC1=CN=CC=N1","297-97-2","CCOP(=S)(OCC)Oc1cnccn1","CCOP(=S)(OCC)Oc1nccnc1",{"$nulls":4},248.03844990599998,"?"]
[1686,"CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","297-99-4","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC",{"$nulls":4},299.0689370180005,"?"]
[1687,"COP(=S)(OC)OC1=CC=C(C=C1)[N+]([O-])=O","298-00-0","COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1","COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},263.00173005000016,"?"]
[1688,null,"298-01-1",{"$nulls":7},""]
[1689,"CCOP(=S)(OCC)SCSCC","298-02-2","CCOP(=S)(OCC)SCSCC","CCOP(=S)(OCC)SCSCC",{"$nulls":4},260.01282941400007,"?"]
[1690,"CCOP(=S)(OCC)OCCSCC","298-03-3","CCOP(=S)(OCC)OCCSCC","CCOP(=S)(OCC)OCCSCC",{"$nulls":4},258.05132309800007,"?"]
[1691,"CCOP(=S)(OCC)SCCSCC","298-04-4","CCOP(=S)(OCC)SCCSCC","CCOP(=S)(OCC)SCCSCC",{"$nulls":4},274.02847947800046,"?"]
[1692,"C1O[CH]1[CH]1CO1","298-18-0","C1OC1C1CO1","C1C(O1)C2OC2",{"$nulls":4},86.036779432,"?"]
[1693,"NC(=O)N1C2=CC=CC=C2C=CC2=C1C=CC=C2","298-46-4","NC(=O)N1c2ccccc2C=Cc2ccccc21","NC(=O)N1c2c(C=Cc3c1cccc3)cccc2",{"$nulls":4},236.094963004,"?"]
[1694,"C(C=CC1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1","298-57-7","C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1","C(=Cc1ccccc1)CN2CCN(CC2)C(c3ccccc3)c4ccccc4",{"$nulls":4},368.2252488960008,"?"]
[1695,"COC1=C2OC(=O)C=CC2=CC2=C1OC=C2","298-81-7","COc1c2occc2cc2ccc(=O)oc12","COc1c2c(cc3c1occ3)ccc(=O)o2",{"$nulls":4},216.042258736,"?"]
[1696,null,"299-39-8",{"$nulls":7},""]
[1697,"CN[CH](C)[CH](O)C1=CC=CC=C1","299-42-3","CNC(C)C(O)c1ccccc1","CNC(C)C(O)c1ccccc1",{"$nulls":4},165.1153641,"?"]
[1698,"COP(=S)(OC)OC1=C(Cl)C=C(Cl)C(Cl)=C1","299-84-3","COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},319.89973478600024,"?"]
[1699,"COP(=S)(NC(C)C)OC1=C(Cl)C=C(Cl)C=C1","299-85-4","COP(=S)(NC(C)C)Oc1ccc(Cl)cc1Cl","COP(=S)(NC(C)C)Oc1c(cc(cc1)Cl)Cl",{"$nulls":4},312.98599167800035,"?"]
[1700,"CNP(=O)(OC)OC1=CC=C(C=C1Cl)C(C)(C)C","299-86-5","CNP(=O)(OC)Oc1ccc(C(C)(C)C)cc1Cl","CNP(=O)(OC)Oc1c(cc(cc1)C(C)(C)C)Cl",{"$nulls":4},291.07910777800055,"?"]
[1701,"OCCNCCO.OC(=O)CN1C=C(I)C(=O)C(I)=C1","300-37-8","O=C(O)Cn1cc(I)c(=O)c(I)c1","O=C(O)Cn1cc(c(c(c1)I)=O)I","OCCNCCO",{"$nulls":3},509.91486761200014,"?"]
[1702,null,"300-38-9",{"$nulls":7},""]
[1703,"N[CH](CC1=CC(I)=C(O)C(I)=C1)C(O)=O","300-39-0","NC(Cc1cc(I)c(O)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O",{"$nulls":4},432.8671891480002,"?"]
[1704,"COP(=O)(OC)OC(Br)C(Cl)(Cl)Br","300-76-5","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br",{"$nulls":4},377.78257489400016,"?"]
[1705,"CCS(=O)CCSP(=O)(OC)OC","301-12-2","CCS(=O)CCSP(=O)(OC)OC","CCS(=O)CCSP(=O)(OC)OC",{"$nulls":4},246.01493759,"?"]
[1706,"NN","302-01-2","NN","NN",{"$nulls":4},32.037448128,"?"]
[1707,"OC(O)C(Cl)(Cl)Cl","302-17-0","OC(O)C(Cl)(Cl)Cl","OC(O)C(Cl)(Cl)Cl",{"$nulls":4},163.919862376,"?"]
[1708,"CCN1C[C]2(COC)[CH]3[CH](OC)[CH]4C1[C]3([CH]1C[C]3(O)[CH](OC(=O)C5=CC=CC=C5)[CH]1[C]4(OC(C)=O)[CH](O)[CH]3OC)[CH](C[CH]2O)OC","302-27-2","CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14","CCN1C2C34C(CC(C(C1)(C3C(C2C5(C(C(C6(CC4C5C6OC(=O)c7ccccc7)O)OC)O)OC(C)=O)OC)COC)O)OC",{"$nulls":4},645.3149113240013,"?"]
[1709,null,"302-66-9",{"$nulls":7},""]
[1710,"CC(N)C(O)=O","302-72-7","CC(N)C(=O)O","CC(N)C(=O)O",{"$nulls":4},89.047678464,"?"]
[1711,"NC(CO)C(O)=O","302-84-1","NC(CO)C(=O)O","NC(CO)C(=O)O",{"$nulls":4},105.042593084,"?"]
[1712,"OC(=O)C1=C(O)C=CC=C1O","303-07-1","O=C(O)c1c(O)cccc1O","O=C(O)c1c(cccc1O)O",{"$nulls":4},154.026608672,"?"]
[1713,"[Na+].[K+].O[CH]([CH](O)C([O-])=O)C([O-])=O","304-59-6","O=C([O-])C(O)C(O)C(=O)[O-]","O=C(O)C(O)C(O)C(=O)O","[K+]","[Na+]",null,null,209.954263808,"Structure has been neutralized"]
[1714,null,"306-23-0",{"$nulls":7},""]
[1715,"FC(F)(F)C(Cl)Cl","306-83-2","FC(F)(F)C(Cl)Cl","FC(F)(F)C(Cl)Cl",{"$nulls":4},151.940740052,"?"]
[1716,"ClC1=C(Cl)[C]2(Cl)[CH]3[CH]4C[CH](C=C4)[CH]3[C]1(Cl)C2(Cl)Cl","309-00-2","ClC1=C(Cl)C2(Cl)C3C4C=CC(C4)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4CC3C=C4)Cl",{"$nulls":4},361.8757163360002,"?"]
[1717,"CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O","311-45-5","CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1","CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},275.0558737980004,"?"]
[1718,"CCOP(=O)(OCC)OC=CCl","311-47-7","CCOP(=O)(OC=CCl)OCC","CCOP(=O)(OC=CCl)OCC",{"$nulls":4},214.016173174,"?"]
[1719,"N[CH](CO)C(O)=O","312-84-5","NC(CO)C(=O)O","NC(CO)C(=O)O",{"$nulls":4},105.042593084,"?"]
[1720,"CCC(C)N1C(=O)NC(C)=C(Br)C1=O","314-40-9","CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O","CCC(C)n1c(c(c([nH]c1=O)C)Br)=O",{"$nulls":4},260.0160397560001,"?"]
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[1922,"CCCCC(=O)CCCC","502-56-7","CCCCC(=O)CCCC","CCCCC(=O)CCCC",{"$nulls":4},142.135765196,"?"]
[1923,"C1COC1","503-30-0","C1COC1","C1COC1",{"$nulls":4},58.041864812,"?"]
[1924,"OS(=O)(=O)CS(O)(=O)=O","503-40-2","O=S(=O)(O)CS(=O)(=O)O","O=S(=O)(O)CS(=O)(=O)O",{"$nulls":4},175.94492984800002,"?"]
[1925,"CC=CC(O)=O","503-64-0","CC=CC(=O)O","CC=CC(=O)O",{"$nulls":4},86.036779432,"?"]
[1926,"CC(C)CC(O)=O","503-74-2","CC(C)CC(=O)O","CC(C)CC(=O)O",{"$nulls":4},102.06807956,"?"]
[1927,"NC1=CC=NC=C1","504-24-5","Nc1ccncc1","Nc1ccncc1",{"$nulls":4},94.053098192,"?"]
[1928,"NC1=CC=CC=N1","504-29-0","Nc1ccccn1","Nc1ncccc1",{"$nulls":4},94.053098192,"?"]
[1929,"C1CSCCS1","505-29-3","C1CSCCS1","C1SCCSC1",{"$nulls":4},120.006742256,"?"]
[1930,"CS(=O)(=O)CCCN=C=S","505-34-0","CS(=O)(=O)CCCN=C=S","CS(=O)(=O)CCCN=C=S",{"$nulls":4},179.007470528,"?"]
[1931,"OC(=O)CCCCCCC(O)=O","505-48-6","O=C(O)CCCCCCC(=O)O","O=C(O)CCCCCCC(=O)O",{"$nulls":4},174.089208928,"?"]
[1932,"OC(=O)CCCCCCCCCCCC(O)=O","505-52-2","O=C(O)CCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCC(=O)O",{"$nulls":4},244.167459248,"?"]
[1933,"ClCCSCCCl","505-60-2","ClCCSCCCl","ClCCSCCCl",{"$nulls":4},157.972376616,"?"]
[1934,"OC(=O)C=CC=CC(O)=O","505-70-4","O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O",{"$nulls":4},142.026608672,"?"]
[1935,null,"505-72-6",{"$nulls":7},""]
[1936,"OCCC=C=CC#CC#C","505-97-5","C#CC#CC=C=CCCO","C#CC#CC=C=CCCO",{"$nulls":4},132.057514876,"?"]
[1937,"ClC#N","506-77-4","N#CCl","N#CCl",{"$nulls":4},60.971926679999996,"?"]
[1938,"IC#N","506-78-5","N#CI","N#CI",{"$nulls":4},152.907547,"?"]
[1939,"CC(C)(C)Br","507-19-7","CC(C)(C)Br","CC(C)(C)Br",{"$nulls":4},135.988762388,"?"]
[1940,"CC(C)(C)Cl","507-20-0","CC(C)(C)Cl","CC(C)(C)Cl",{"$nulls":4},92.039277968,"?"]
[1941,"CC1(C)[CH]2CC[C]1(C)[CH](O)C2","507-70-0","CC1(C)C2CCC1(C)C(O)C2","CC1(C2(CCC1CC2O)C)C",{"$nulls":4},154.135765196,"?"]
[1942,"CC(C)(C(O)=O)C(C)(CC(O)=O)C(O)=O","508-34-9","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O",{"$nulls":4},218.079038168,"?"]
[1943,"[H][C]12CC[C](O)(C(=O)COC(=O)CC(C)(C)C)[C]1(C)C[CH](O)[C]1([H])[C]2([H])CCC2=CC(=O)CC[C]12C","508-96-3","CC(C)(C)CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C","CC(C)(C)CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O",{"$nulls":4},460.2824890000011,"?"]
[1944,"[O-][N+](=O)C([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O","509-14-8","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},195.97161296000002,"Errors in neutralization"]
[1945,"CN1CC[C]23[CH]4OC5=C(OCCN6CCOCC6)C=CC(C[CH]1[CH]2C=C[CH]4O)=C35","509-67-1","CN1CCC23c4c5ccc(OCCN6CCOCC6)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5OCCN6CCOCC6)C(O)C=C3",{"$nulls":4},398.22055744000085,"?"]
[1946,"CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1","509-86-4","CCC1(C2=CCCCCC2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCCC2",{"$nulls":4},250.131742436,"?"]
[1947,null,"509-87-5",{"$nulls":7},""]
[1948,"CCOC(=O)C(O)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1","510-15-6","CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1","CCOC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl",{"$nulls":4},324.03199966800037,"?"]
[1949,"CCC(CC)(C(O)=O)C(O)=O","510-20-3","CCC(CC)(C(=O)O)C(=O)O","CCC(CC)(C(=O)O)C(=O)O",{"$nulls":4},160.073558864,"?"]
[1950,"CCC(Br)(CC)C(N)=O","511-70-6","CCC(Br)(CC)C(N)=O","CCC(Br)(CC)C(N)=O",{"$nulls":4},193.010226104,"?"]
[1951,"[H][C]12C[C]3([H])[C]4([H])CC=C5C[CH](O)CC[C]5(C)[C]4([H])CC[C]3(C)[C]1([H])[CH](C)[C]1(CC[CH](C)CO1)O2","512-04-9","CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C","CC1COC2(CC1)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C",{"$nulls":4},414.313395204001,"?"]
[1952,"COP(=O)(OC)OC","512-56-1","COP(=O)(OC)OC","COP(=O)(OC)OC",{"$nulls":4},140.02384539800002,"?"]
[1953,null,"512-60-7",{"$nulls":7},""]
[1954,"OC[CH]1O[C](CO)(O[CH]2O[CH](CO[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O","512-69-6","OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O",{"$nulls":4},504.1690349440007,"?"]
[1955,"CCCOP(=O)(OCCC)OCCC","513-08-6","CCCOP(=O)(OCCC)OCCC","CCCOP(=O)(OCCC)OCCC",{"$nulls":4},224.117745782,"?"]
[1956,"CC=C(C)C","513-35-9","CC=C(C)C","CC=C(C)C",{"$nulls":4},70.07825032,"?"]
[1957,"CC(C)CCl","513-36-0","CC(C)CCl","CC(C)CCl",{"$nulls":4},92.039277968,"?"]
[1958,"CC(C)=CCl","513-37-1","CC(C)=CCl","CC(C)=CCl",{"$nulls":4},90.023627904,"?"]
[1959,"CC(=C)CO","513-42-8","C=C(C)CO","C=C(C)CO",{"$nulls":4},72.057514876,"?"]
[1960,"CCC(C)I","513-48-4","CCC(C)I","CCC(C)I",{"$nulls":4},183.974898288,"?"]
[1961,"CCC(C)S","513-53-1","CCC(C)S","CCC(C)S",{"$nulls":4},90.05032132,"?"]
[1962,"CC(=C)C(C)=C","513-81-5","C=C(C)C(=C)C","C=C(C)C(=C)C",{"$nulls":4},82.07825032,"?"]
[1963,"CC(O)C(C)O","513-85-9","CC(O)C(C)O","CC(O)C(C)O",{"$nulls":4},90.06807956,"?"]
[1964,"CC(O)C(C)=O","513-86-0","CC(=O)C(C)O","CC(=O)C(C)O",{"$nulls":4},88.052429496,"?"]
[1965,"CC(C)C1=CC2=CC[CH]3[C](C)(CCC[C]3(C)C(O)=O)[CH]2CC1","514-10-3","CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1","CC(C)C=1CCC2C(C1)=CCC3C2(CCCC3(C)C(=O)O)C",{"$nulls":4},302.22458020000084,"?"]
[1966,null,"514-17-0",{"$nulls":7},""]
[1967,null,"515-30-0",{"$nulls":7},""]
[1968,"CCOS(=O)(=O)C1=CC=CC=C1","515-46-8","CCOS(=O)(=O)c1ccccc1","CCOS(=O)(=O)c1ccccc1",{"$nulls":4},186.03506518,"?"]
[1969,"NC(=S)NS(=O)(=O)C1=CC=C(N)C=C1","515-49-1","NC(=S)NS(=O)(=O)c1ccc(N)cc1","NC(=S)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},231.013618528,"?"]
[1970,"CC1=CSC(NS(=O)(=O)C2=CC=C(N)C=C2)=N1","515-59-3","Cc1csc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(sc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},269.02926859200034,"?"]
[1971,"CC1=NC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1","515-64-0","Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1","Cc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C",{"$nulls":4},278.08374668800036,"?"]
[1972,null,"516-05-2",{"$nulls":7},""]
[1973,null,"516-06-3",{"$nulls":7},""]
[1974,"C[C]12CCC3=C(C=CC4=CC(O)=CC=C34)[CH]1CCC2=O","517-09-9","CC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O","CC12C(c3c(CC1)c4c(cc3)cc(O)cc4)CCC2=O",{"$nulls":4},266.1306798160003,"?"]
[1975,"CC(=O)C1CCOC1=O","517-23-7","CC(=O)C1CCOC1=O","CC(=O)C1C(OCC1)=O",{"$nulls":4},128.047344116,"?"]
[1976,null,"517-40-8",{"$nulls":7},""]
[1977,"COC1=CC(=CC(OC)=C1OC)[CH]1[CH]2[CH](COC2=O)CC2=C(O)C3=C(OCO3)C=C12","518-29-6","COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1OC","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)OC",{"$nulls":4},414.1314676640006,"?"]
[1978,"OC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C=C(O)C=C1","518-45-6","O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21","O=C1c2c(C3(O1)c4c(Oc5c3ccc(O)c5)cc(O)cc4)cccc2",{"$nulls":4},332.0684734840003,"?"]
[1979,null,"519-05-1",{"$nulls":7},""]
[1980,"OC1=CC(O)=C(C(=O)C2=CC(O)=C(O)C=C2)C(O)=C1","519-34-6","O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O","O=C(c1cc(c(cc1)O)O)c2c(cc(cc2O)O)O",{"$nulls":4},262.0477380400002,"?"]
[1981,"CN(C)C(=O)C(=O)N(N(C)C(C)=O)C1=CC=CC=C1","519-65-3","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1",{"$nulls":4},263.1269914040002,"?"]
[1982,"[H][C]12CC[CH](O)[C]1(C)CC[C]1([H])[C]2([H])CC[C]2([H])CC(=O)CC[C]12C","521-18-6","CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC(=O)CC4)C)CCC2O",{"$nulls":4},290.22458020000073,"?"]
[1983,"OC1=C2N=CC=CC2=C(Br)C=C1Br","521-74-4","Oc1c(Br)cc(Br)c2cccnc12","Oc1c2c(c(cc1Br)Br)cccn2",{"$nulls":4},300.87378798000015,"?"]
[1984,"CC[CH]1CN2CC[CH]1C[CH]2[CH](O)C1=C2C=C(OC)C=CC2=NC=C1","522-66-7","CCC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",{"$nulls":4},326.1994280720008,"?"]
[1985,"CC1=C(O)C(CN)=C(CO)C=N1","524-36-7","Cc1ncc(CO)c(CN)c1O","Cc1c(c(c(cn1)CO)CN)O",{"$nulls":4},168.089877624,"?"]
[1986,"COC1=C(C#N)C(=O)N(C)C=C1","524-40-3","COc1ccn(C)c(=O)c1C#N","COc1c(c(n(cc1)C)=O)C#N",{"$nulls":4},164.058577496,"?"]
[1987,"OS(=O)(=O)C1=CC2=C(C=C1)C(=CC=C2)S(O)(=O)=O","525-37-1","O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cccc2c1","O=S(=O)(O)c1cc2c(cc1)c(S(=O)(=O)O)ccc2",{"$nulls":4},287.9762299760002,"?"]
[1988,"CC(C)NCC(O)COC1=C2C=CC=CC2=CC=C1","525-66-6","CC(C)NCC(O)COc1cccc2ccccc12","CC(C)NCC(O)COc1c2c(ccc1)cccc2",{"$nulls":4},259.1572289120001,"?"]
[1989,"NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=NN1C1=CC=CC=C1","526-08-9","Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2n(ncc2)-c3ccccc3",{"$nulls":4},314.08374668800036,"?"]
[1990,null,"526-30-7",{"$nulls":7},""]
[1991,"CC1=CC=CC(C)=C1C","526-73-8","Cc1cccc(C)c1C","Cc1c(c(ccc1)C)C",{"$nulls":4},120.093900384,"?"]
[1992,"CC1=C(C)C(O)=CC=C1","526-75-0","Cc1cccc(O)c1C","Cc1c(c(ccc1)O)C",{"$nulls":4},122.07316494,"?"]
[1993,"O[CH]([CH](O)C(O)=O)C(O)=O","526-83-0","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",{"$nulls":4},150.01643791200001,"?"]
[1994,"OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O","526-95-4","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO",{"$nulls":4},196.05830272400001,"?"]
[1995,"O[CH]([CH](O)[CH](O)C(O)=O)[CH](O)C(O)=O","526-99-8","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",{"$nulls":4},210.03756728000002,"?"]
[1996,null,"527-00-4",{"$nulls":7},""]
[1997,null,"527-06-0",{"$nulls":7},""]
[1998,"[Na+].OC[CH](O)[CH](O)[CH](O)[CH](O)C([O-])=O","527-07-1","O=C([O-])C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","[Na+]",{"$nulls":3},218.040246972,"Structure has been neutralized"]
[1999,"[Cu++].OC[CH](O)[CH](O)[CH](O)[CH](O)C([O-])=O.OC[CH](O)[CH](O)[CH](O)[CH](O)C([O-])=O","527-09-3","O=C([O-])C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C([O-])=O","[Cu+2]",null,null,453.03055288400003,"Structure has been neutralized"]
[2000,"CC1=CC(C)=C(O)C(C)=C1","527-60-6","Cc1cc(C)c(O)c(C)c1","Cc1cc(c(c(c1)C)O)C",{"$nulls":4},136.088815004,"?"]
[2001,"OC(=O)C1=CC=CS1","527-72-0","O=C(O)c1cccs1","O=C(O)c1sccc1",{"$nulls":4},127.993200368,"?"]
[2002,"CC(C)C1=C(C)C=CC=C1","527-84-4","Cc1ccccc1C(C)C","Cc1c(cccc1)C(C)C",{"$nulls":4},134.109550448,"?"]
[2003,"OC1=C(C=C(C=C1)N(=O)=O)C(=O)C(=O)C1=C(O)C=CC(=C1)N(=O)=O","528-10-9","O=C(C(=O)c1cc([N+](=O)[O-])ccc1O)c1cc([N+](=O)[O-])ccc1O","O=C(C(=O)c1c(ccc(c1)[N+](=O)[O-])O)c2c(ccc(c2)[N+](=O)[O-])O",{"$nulls":4},332.02806521600024,"?"]
[2004,"CC(=O)C1=C(O)C(O)=C(O)C=C1","528-21-2","CC(=O)c1ccc(O)c(O)c1O","CC(=O)c1c(c(c(cc1)O)O)O",{"$nulls":4},168.042258736,"?"]
[2005,"[O-][N+](=O)C1=C(C=CC=C1)[N+]([O-])=O","528-29-0","O=[N+]([O-])c1ccccc1[N+](=O)[O-]","O=[N+]([O-])c1c(cccc1)[N+](=O)[O-]",{"$nulls":4},168.017106608,"?"]
[2006,"OC(=O)C1=CC(C(O)=O)=C(C=C1)C(O)=O","528-44-9","O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1","O=C(O)c1cc(c(cc1)C(=O)O)C(=O)O",{"$nulls":4},210.01643791200001,"?"]
[2007,"OC(=O)C1=CC(=C(C=C1)[N+]([O-])=O)[N+]([O-])=O","528-45-0","O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},212.006935848,"?"]
[2008,"OC(=O)C(=O)C1=CC=CC=C1C(O)=O","528-46-1","O=C(O)C(=O)c1ccccc1C(=O)O","O=C(O)C(=O)c1c(cccc1)C(=O)O",{"$nulls":4},194.02152329199998,"?"]
[2009,"[H][C](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)([CH](O)CO)[CH](O)[CH](O)C=O","528-50-7","O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO","O=CC(O)C(O)C(OC1C(C(C(C(O1)CO)O)O)O)C(O)CO",{"$nulls":4},342.11621152400056,"?"]
[2010,null,"528-92-7",{"$nulls":7},""]
[2011,"O=C1C=CNC2=CC=CC=C12","529-37-3","O=c1cc[nH]c2ccccc12","O=c1c2c([nH]cc1)cccc2",{"$nulls":4},145.052763844,"?"]
[2012,null,"529-64-6",{"$nulls":7},""]
[2013,"OC1=C2C=CC=CC2=CC2=CC=CC=C12","529-86-2","Oc1c2ccccc2cc2ccccc12","Oc1c2c(cc3c1cccc3)cccc2",{"$nulls":4},194.07316494,"?"]
[2014,null,"530-14-3",{"$nulls":7},""]
[2015,"C=C(C1=CC=CC=C1)C1=CC=CC=C1","530-48-3","C=C(c1ccccc1)c1ccccc1","C=C(c1ccccc1)c2ccccc2",{"$nulls":4},180.093900384,"?"]
[2016,"OC(=O)C1=C(NC2=CC(=CC=C2)C(F)(F)F)C=CC=C1","530-78-9","O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1","O=C(O)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F",{"$nulls":4},281.0663632200003,"?"]
[2017,"ON=C1CCCCCC1=NO","530-97-2","ON=C1CCCCCC1=NO","ON=C1C(CCCCC1)=NO",{"$nulls":4},156.089877624,"?"]
[2018,"COC1=CC=C2C=CC(=O)OC2=C1","531-59-9","COc1ccc2ccc(=O)oc2c1","COc1cc2c(cc1)ccc(=O)o2",{"$nulls":4},176.047344116,"?"]
[2019,"OC(=O)C1=CC2=CC=CC=C2OC1=O","531-81-7","O=C(O)c1cc2ccccc2oc1=O","O=C(O)c1c(oc2c(c1)cccc2)=O",{"$nulls":4},190.026608672,"?"]
[2020,null,"532-03-6",{"$nulls":7},""]
[2021,"[Na+].[O-]C(=O)C1=CC=CC=C1","532-32-1","O=C([O-])c1ccccc1","O=C(O)c1ccccc1","[Na+]",{"$nulls":3},144.01872368,"Structure has been neutralized"]
[2022,"Cl.NC1=CC=C(N=NC2=CC=CC=C2)C(N)=C1","532-82-1","Nc1ccc(N=Nc2ccccc2)c(N)c1","Nc1cc(c(cc1)N=Nc2ccccc2)N","C.I","Cl",null,null,392.026472256,"?"]
[2023,"ClCC(=O)NC1=CC=CC=C1","533-17-5","O=C(CCl)Nc1ccccc1","O=C(CCl)Nc1ccccc1",{"$nulls":4},169.029441556,"?"]
[2024,null,"533-23-3",{"$nulls":7},""]
[2025,"CCCCCC1=C(O)C=C(O)C=C1","533-24-4","CCCCCc1ccc(O)cc1O","CCCCCc1c(cc(cc1)O)O",{"$nulls":4},180.115029752,"?"]
[2026,"CCN(CC)C(=O)CC(C)C","533-32-4","CCN(CC)C(=O)CC(C)C","CCN(CC)C(=O)CC(C)C",{"$nulls":4},157.146664228,"?"]
[2027,"CN1CSC(=S)N(C)C1","533-74-4","CN1CSC(=S)N(C)C1","CN1CN(C(SC1)=S)C",{"$nulls":4},162.02854032,"?"]
[2028,"OC(CI)CI","534-08-7","OC(CI)CI","OC(CI)CI",{"$nulls":4},311.8508108120002,"?"]
[2029,"CN(C)C(N)=S","534-13-4","CN(C)C(N)=S","CN(C)C(N)=S",{"$nulls":4},104.04081925599999,"?"]
[2030,"COC(C)OC","534-15-6","COC(C)OC","COC(C)OC",{"$nulls":4},90.06807956,"?"]
[2031,"CC1=CC=CO1","534-22-5","Cc1ccco1","Cc1occc1",{"$nulls":4},82.041864812,"?"]
[2032,"CC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O","534-52-1","Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","Cc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",{"$nulls":4},198.027671292,"?"]
[2033,null,"534-59-8",{"$nulls":7},""]
[2034,"CC(C)(C)C1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)S1","535-65-9","CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CC(C)(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},312.07146775200044,"?"]
[2035,"CC(C)C1=CC(C)=CC=C1","535-77-3","Cc1cccc(C(C)C)c1","Cc1cc(ccc1)C(C)C",{"$nulls":4},134.109550448,"?"]
[2036,"OC(=O)C1=CC=CC(Cl)=C1","535-80-8","O=C(O)c1cccc(Cl)c1","O=C(O)c1cc(ccc1)Cl",{"$nulls":4},155.99780708,"?"]
[2037,"NC1=CC(=CC(N)=C1)C(O)=O","535-87-5","Nc1cc(N)cc(C(=O)O)c1","Nc1cc(cc(c1)N)C(=O)O",{"$nulls":4},152.058577496,"?"]
[2038,null,"535-89-7",{"$nulls":7},""]
[2039,null,"536-08-3",{"$nulls":7},""]
[2040,"CC(C)C1=CC=C(C=C1)C(O)=O","536-66-3","CC(C)c1ccc(C(=O)O)cc1","CC(C)c1ccc(cc1)C(=O)O",{"$nulls":4},164.083729624,"?"]
[2041,"C#CC1=CC=CC=C1","536-74-3","C#Cc1ccccc1","C#Cc1ccccc1",{"$nulls":4},102.046950192,"?"]
[2042,"CCC1=CC=NC=C1","536-75-4","CCc1ccncc1","CCc1ccncc1",{"$nulls":4},107.073499288,"?"]
[2043,"CCC1=CC=CN=C1","536-78-7","CCc1cccnc1","CCc1cnccc1",{"$nulls":4},107.073499288,"?"]
[2044,"O=[I]C1=CC=CC=C1","536-80-1","O=[IH2]c1ccccc1","O=Ic1ccccc1",{"$nulls":4},219.93851278,"?"]
[2045,null,"537-26-8",{"$nulls":7},""]
[2046,null,"537-45-1",{"$nulls":7},""]
[2047,"NNC(=O)NC1=CC=CC=C1","537-47-3","NNC(=O)Nc1ccccc1","NNC(=O)Nc1ccccc1",{"$nulls":4},151.074561908,"?"]
[2048,"CN[CH](CC1=CC=C(O)C=C1)C(O)=O","537-49-5","CNC(Cc1ccc(O)cc1)C(=O)O","CNC(Cc1ccc(cc1)O)C(=O)O",{"$nulls":4},195.089543276,"?"]
[2049,"CC(=O)NC1=CC=CC(C)=C1","537-92-8","CC(=O)Nc1cccc(C)c1","CC(=O)Nc1cc(ccc1)C",{"$nulls":4},149.084063972,"?"]
[2050,"CCN(CCCl)CCCl","538-07-8","CCN(CCCl)CCCl","CCN(CCCl)CCCl",{"$nulls":4},169.042504776,"?"]
[2051,"NC(=O)NCC1=CC=CC=C1","538-32-9","NC(=O)NCc1ccccc1","NC(=O)NCc1ccccc1",{"$nulls":4},150.07931294,"?"]
[2052,"CCCCOC(=O)C=CC1=CC=CC=C1","538-65-8","CCCCOC(=O)C=Cc1ccccc1","CCCCOC(=O)C=Cc1ccccc1",{"$nulls":4},204.115029752,"?"]
[2053,"CCCCCC1=CC=CC=C1","538-68-1","CCCCCc1ccccc1","CCCCCc1ccccc1",{"$nulls":4},148.125200512,"?"]
[2054,"COCC1=CC=CC=C1","538-86-3","COCc1ccccc1","COCc1ccccc1",{"$nulls":4},122.07316494,"?"]
[2055,"CC(C)CC1=CC=CC=C1","538-93-2","CC(C)Cc1ccccc1","CC(C)Cc1ccccc1",{"$nulls":4},134.109550448,"?"]
[2056,"CC(=O)NC1=CC=C(Cl)C=C1","539-03-7","CC(=O)Nc1ccc(Cl)cc1","CC(=O)Nc1ccc(cc1)Cl",{"$nulls":4},169.029441556,"?"]
[2057,"CN(C)CCC1=CC=C(O)C=C1","539-15-1","CN(C)CCc1ccc(O)cc1","CN(C)CCc1ccc(cc1)O",{"$nulls":4},165.1153641,"?"]
[2058,"CN(C)C1=CC=C(C=C1)N=NC1=CC=C(N)C=C1","539-17-3","CN(C)c1ccc(N=Nc2ccc(N)cc2)cc1","CN(C)c1ccc(cc1)N=Nc2ccc(cc2)N","C.I",{"$nulls":3},384.08109467199995,"?"]
[2059,"OC(=O)C=CC1=CC=CO1","539-47-9","O=C(O)C=Cc1ccco1","O=C(O)C=Cc1occc1",{"$nulls":4},138.031694052,"?"]
[2060,"CCCCC(=O)OCC","539-82-2","CCCCC(=O)OCC","CCCCC(=O)OCC",{"$nulls":4},130.099379688,"?"]
[2061,"C=CCSS(=O)CC=C","539-86-6","C=CCSS(=O)CC=C","C=CCSS(=O)CC=C",{"$nulls":4},162.01730694,"?"]
[2062,"CCOC(=O)NCC(C)C","539-89-9","CCOC(=O)NCC(C)C","CCOC(=O)NCC(C)C",{"$nulls":4},145.11027872,"?"]
[2063,"CCCCCOC(=O)CCC","540-18-1","CCCCCOC(=O)CCC","CCCCCOC(=O)CCC",{"$nulls":4},158.130679816,"?"]
[2064,"FC1=CC=C(F)C=C1","540-36-3","Fc1ccc(F)cc1","Fc1ccc(cc1)F",{"$nulls":4},114.028106568,"?"]
[2065,"CCC(=O)OCC(C)C","540-42-1","CCC(=O)OCC(C)C","CCC(=O)OCC(C)C",{"$nulls":4},130.099379688,"?"]
[2066,"COC1CC1","540-47-6","COC1CC1","COC1CC1",{"$nulls":4},72.057514876,"?"]
[2067,"BrCCBr","540-49-8","BrCCBr","BrCCBr",{"$nulls":4},185.867974328,"?"]
[2068,"OCCBr","540-51-2","OCCBr","OCCBr",{"$nulls":4},123.95237688,"?"]
[2069,"CCCCl","540-54-5","CCCCl","CCCCl",{"$nulls":4},78.023627904,"?"]
[2070,"ClC=CCl","540-59-0","ClC=CCl","ClC=CCl",{"$nulls":4},95.953355424,"?"]
[2071,"CCOC","540-67-0","CCOC","CCOC",{"$nulls":4},60.057514876,"?"]
[2072,"CNNC","540-73-8","CNNC","CNNC",{"$nulls":4},60.06874825599999,"?"]
[2073,"CC(C)CC(C)(C)C","540-84-1","CC(C)CC(C)(C)C","CC(C)CC(C)(C)C",{"$nulls":4},114.14085057599999,"?"]
[2074,"CC(=O)OC(C)(C)C","540-88-5","CC(=O)OC(C)(C)C","CC(=O)OC(C)(C)C",{"$nulls":4},116.083729624,"?"]
[2075,"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","540-97-6","C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C",{"$nulls":4},444.11274805200094,"?"]
[2076,"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","541-02-6","C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C",{"$nulls":4},370.0939567100008,"?"]
[2077,"CC(=O)O[U](=O)(=O)OC(C)=O","541-09-3","CC(=O)O[U](=O)(=O)OC(C)=O","CC(=O)O[U](=O)(=O)OC(C)=O",{"$nulls":4},388.06722611200007,"Errors in neutralization"]
[2078,"ClC=C[As](Cl)Cl","541-25-3","ClC=C[As](Cl)Cl","ClC=C[As](Cl)Cl",{"$nulls":4},205.843804604,"Errors in neutralization"]
[2079,"CCCC(Cl)Cl","541-33-3","CCCC(Cl)Cl","CCCC(Cl)Cl",{"$nulls":4},126.00030561599999,"?"]
[2080,"CCCC(N)=O","541-35-5","CCCC(N)=O","CCCC(N)=O",{"$nulls":4},87.068413908,"?"]
[2081,"[Ba++].[O-]C=O.[O-]C=O","541-43-5","[Ba+2]","[Ba+2]","[O-]C=O","[O-]C=O",null,null,227.900555744,"?"]
[2082,"CC(N)CC(O)=O","541-48-0","CC(N)CC(=O)O","CC(N)CC(=O)O",{"$nulls":4},103.063328528,"?"]
[2083,"CC(=O)CC(O)=O","541-50-4","CC(=O)CC(=O)O","CC(=O)CC(=O)O",{"$nulls":4},102.031694052,"?"]
[2084,"NC(=S)NC(N)=S","541-53-7","NC(=S)NC(N)=S","NC(=S)NC(N)=S",{"$nulls":4},134.99248916,"?"]
[2085,"ClC1=CC(Cl)=CC=C1","541-73-1","Clc1cccc(Cl)c1","Clc1cc(ccc1)Cl",{"$nulls":4},145.969005488,"?"]
[2086,"CC(N=C(O)C=CC(O)=O)C(O)=O","541-89-9","CC(N=C(O)C=CC(=O)O)C(=O)O","CC(N=C(O)C=CC(=O)O)C(=O)O",{"$nulls":4},187.048072388,"?"]
[2087,null,"541-95-7",{"$nulls":7},""]
[2088,"CC1=CC(=O)CC(=O)O1","541-98-0","CC1=CC(=O)CC(=O)O1","CC=1OC(CC(C1)=O)=O",{"$nulls":4},126.031694052,"?"]
[2089,"ClC1CCCCC1","542-18-7","ClC1CCCCC1","ClC1CCCCC1",{"$nulls":4},118.05492803199999,"?"]
[2090,"NC(CCCC(O)=O)C(O)=O","542-32-5","NC(CCCC(=O)O)C(=O)O","NC(CCCC(=O)O)C(=O)O",{"$nulls":4},161.068807832,"?"]
[2091,"CC(C)COC=O","542-55-2","CC(C)COC=O","CC(C)COC=O",{"$nulls":4},102.06807956,"?"]
[2092,"CCCCI","542-69-8","CCCCI","CCCCI",{"$nulls":4},183.974898288,"?"]
[2093,"ClCC=CCl","542-75-6","ClC=CCCl","ClC=CCCl",{"$nulls":4},109.969005488,"?"]
[2094,"ClCOCCl","542-88-1","ClCOCCl","ClCOCCl",{"$nulls":4},113.963920108,"?"]
[2095,"C1C=CC=C1","542-92-7","C1=CCC=C1","C=1C=CCC1",{"$nulls":4},66.046950192,"?"]
[2096,null,"543-18-0",{"$nulls":7},""]
[2097,"CC(=O)NCC(O)=O","543-24-8","CC(=O)NCC(=O)O","CC(=O)NCC(=O)O",{"$nulls":4},117.042593084,"?"]
[2098,"CC(C)COC(N)=O","543-28-2","CC(C)COC(N)=O","CC(C)COC(N)=O",{"$nulls":4},117.078978592,"?"]
[2099,"CC(C)CO[N+]([O-])=O","543-29-3","CC(C)CO[N+](=O)[O-]","CC(C)CO[N+](=O)[O-]",{"$nulls":4},119.058243148,"?"]
[2100,"CCCCCC(C)O","543-49-7","CCCCCC(C)O","CCCCCC(C)O",{"$nulls":4},116.120115132,"?"]
[2101,"CCCCCCl","543-59-9","CCCCCCl","CCCCCCl",{"$nulls":4},106.05492803199999,"?"]
[2102,"[Ba++].CC([O-])=O.CC([O-])=O","543-80-6","[Ba+2]","[Ba+2]","CC([O-])=O","CC([O-])=O",null,null,255.931855872,"?"]
[2103,null,"543-86-2",{"$nulls":7},""]
[2104,"CC(C)CCO[N+]([O-])=O","543-87-3","CC(C)CCO[N+](=O)[O-]","CC(C)CCO[N+](=O)[O-]",{"$nulls":4},133.073893212,"?"]
[2105,null,"543-94-2",{"$nulls":7},""]
[2106,"CC(C)CCOCCC(C)C","544-01-4","CC(C)CCOCCC(C)C","CC(C)CCOCCC(C)C",{"$nulls":4},158.167065324,"?"]
[2107,"CCCCCCCl","544-10-5","CCCCCCCl","CCCCCCCl",{"$nulls":4},120.07057809599999,"?"]
[2108,"N#CCCCC#N","544-13-8","N#CCCCC#N","N#CCCCC#N",{"$nulls":4},94.053098192,"?"]
[2109,"C1C=CC=CC=C1","544-25-2","C1=CC=CCC=C1","C=1C=CCC=CC1",{"$nulls":4},92.062600256,"?"]
[2110,null,"544-63-8",{"$nulls":7},""]
[2111,"CCCCCCCCCCCCCCCC","544-76-3","CCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCC",{"$nulls":4},226.26605108799998,"?"]
[2112,null,"547-44-4",{"$nulls":7},""]
[2113,null,"547-52-4",{"$nulls":7},""]
[2114,"COC(=O)C(C)O","547-64-8","COC(=O)C(C)O","COC(=O)C(C)O",{"$nulls":4},104.047344116,"?"]
[2115,"C=C1CCOC1=O","547-65-9","C=C1CCOC1=O","C=C1C(OCC1)=O",{"$nulls":4},98.036779432,"?"]
[2116,null,"547-75-1",{"$nulls":7},""]
[2117,"CCOC(=O)C(C1=C(O)C2=C(OC1=O)C=CC=C2)C1=C(O)C2=C(OC1=O)C=CC=C2","548-00-5","CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O","CCOC(=O)C(c1c(oc2c(c1O)cccc2)=O)c3c(oc4c(c3O)cccc4)=O",{"$nulls":4},408.0845174720004,"?"]
[2118,null,"548-37-8",{"$nulls":7},""]
[2119,"CC(C)C1=C(O)C(C(O)=O)=C(C)C=C1","548-51-6","Cc1ccc(C(C)C)c(O)c1C(=O)O","Cc1c(c(c(cc1)C(C)C)O)C(=O)O",{"$nulls":4},194.094294308,"?"]
[2120,"OS(O)(=O)=O.[H][C]1(C[CH]2CC[N]1C[CH]2C=C)[CH](O)C1=CC=NC2=CC=C(OC)C=C12.[H][C]1(C[CH]2CC[N]1C[CH]2C=C)[CH](O)C1=CC=NC2=CC=C(OC)C=C12","549-56-4","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","[H]C1(CC2CCN1CC2C=C)C(O)c3ccnc4ccc(OC)cc34","OS(O)(=O)=O",null,null,746.3349355600012,"?"]
[2121,null,"550-23-2",{"$nulls":7},""]
[2122,null,"550-28-7",{"$nulls":7},""]
[2123,null,"550-33-4",{"$nulls":7},""]
[2124,"OC1=C(C2=CC=CC=C2C=C1)[N+]([O-])=O","550-60-7","O=[N+]([O-])c1c(O)ccc2ccccc12","O=[N+]([O-])c1c2c(ccc1O)cccc2",{"$nulls":4},189.042593084,"?"]
[2125,null,"550-74-3",{"$nulls":7},""]
[2126,null,"551-06-4",{"$nulls":7},""]
[2127,"NCCNC1=C2C=CC=CC2=CC=C1","551-09-7","NCCNc1cccc2ccccc12","NCCNc1c2c(ccc1)cccc2",{"$nulls":4},186.115698448,"?"]
[2128,"CC1=C(Cl)C(O)=C(Cl)C=C1Cl","551-76-8","Cc1c(Cl)cc(Cl)c(O)c1Cl","Cc1c(c(c(cc1Cl)Cl)O)Cl",{"$nulls":4},209.94059782,"?"]
[2129,"OC(=O)C1=CC=CC=C1[N+]([O-])=O","552-16-9","O=C(O)c1ccccc1[N+](=O)[O-]","O=C(O)c1c(cccc1)[N+](=O)[O-]",{"$nulls":4},167.02185764,"?"]
[2130,null,"552-32-9",{"$nulls":7},""]
[2131,"OC1=CC(O)=C2C(=O)C[CH](OC2=C1)C1=CC(O)=C(O)C=C1","552-58-9","O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21","O=C1c2c(OC(C1)c3cc(c(cc3)O)O)cc(O)cc2O",{"$nulls":4},288.06338810400035,"?"]
[2132,"OCC(C(O)=O)C1=CC=CC=C1","552-63-6","O=C(O)C(CO)c1ccccc1","O=C(O)C(CO)c1ccccc1",{"$nulls":4},166.06299418,"?"]
[2133,null,"552-70-5",{"$nulls":7},""]
[2134,"[O-][N+](=O)C1=C(C=O)C=CC=C1","552-89-6","O=Cc1ccccc1[N+](=O)[O-]","O=Cc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},151.02694302,"?"]
[2135,"C1=CC(=CC=N1)C1=CC=NC=C1","553-26-4","c1cc(-c2ccncc2)ccn1","c1nccc(c1)-c2ccncc2",{"$nulls":4},156.068748256,"?"]
[2136,"NNC(=O)C1=CC=CN=C1","553-53-7","NNC(=O)c1cccnc1","NNC(=O)c1cnccc1",{"$nulls":4},137.058911844,"?"]
[2137,"CCCOC1=C(N)C=C(C=C1)[N+]([O-])=O","553-79-7","CCCOc1ccc([N+](=O)[O-])cc1N","CCCOc1c(cc(cc1)[N+](=O)[O-])N",{"$nulls":4},196.084792244,"?"]
[2138,"COC(=O)C(=O)OC","553-90-2","COC(=O)C(=O)OC","COC(=O)C(=O)OC",{"$nulls":4},118.02660867200001,"?"]
[2139,"NC1=CC=C(Cl)C=C1Cl","554-00-7","Nc1ccc(Cl)cc1Cl","Nc1c(cc(cc1)Cl)Cl",{"$nulls":4},160.97990452,"?"]
[2140,"CC1=C(N)NC(=O)N=C1","554-01-8","Cc1cnc(=O)[nH]c1N","Cc1c([nH]c(nc1)=O)N",{"$nulls":4},125.058911844,"?"]
[2141,"CCC(=O)OC","554-12-1","CCC(=O)OC","CCC(=O)OC",{"$nulls":4},88.052429496,"?"]
[2142,"CN1N=C(SC1=NC(C)=O)S(N)(=O)=O","554-57-4","CC(=O)N=c1sc(S(N)(=O)=O)nn1C","CC(=O)N=c1n(nc(s1)S(N)(=O)=O)C",{"$nulls":4},236.003782116,"?"]
[2143,"OC1=CC=CC(=C1)[N+]([O-])=O","554-84-7","O=[N+]([O-])c1cccc(O)c1","O=[N+]([O-])c1cc(ccc1)O",{"$nulls":4},139.02694302,"?"]
[2144,"OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O","554-95-0","O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O",{"$nulls":4},210.01643791200001,"?"]
[2145,"COC1=CC=CC(=C1)[N+]([O-])=O","555-03-3","COc1cccc([N+](=O)[O-])c1","COc1cc(ccc1)[N+](=O)[O-]",{"$nulls":4},153.042593084,"?"]
[2146,"[O-][N+](=O)C1=CC=C(C=O)C=C1","555-16-8","O=Cc1ccc([N+](=O)[O-])cc1","O=Cc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},151.02694302,"?"]
[2147,"C[C](N)(CC1=CC=C(O)C(O)=C1)C(O)=O","555-30-6","CC(N)(Cc1ccc(O)c(O)c1)C(=O)O","CC(N)(Cc1cc(c(cc1)O)O)C(=O)O",{"$nulls":4},211.084457896,"?"]
[2148,"CCCCN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1","555-37-3","CCCCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CCCCN(C)C(=O)Nc1cc(c(cc1)Cl)Cl",{"$nulls":4},274.0639684920004,"?"]
[2149,"OC(=O)C=CC(O)=NC1=CC=CC=C1","555-59-9","O=C(O)C=CC(O)=Nc1ccccc1","O=C(O)C=CC(O)=Nc1ccccc1",{"$nulls":4},191.058243148,"?"]
[2150,"ClCCN(CCCl)CCCl","555-77-1","ClCCN(CCCl)CCCl","ClCCN(CCCl)CCCl",{"$nulls":4},203.00353242399999,"?"]
[2151,"[O-][N+](=O)C1=CC=C(O1)C=NN1CCNC1=O","555-84-0","O=C1NCCN1N=Cc1ccc([N+](=O)[O-])o1","O=C1N(CCN1)N=Cc2oc(cc2)[N+](=O)[O-]",{"$nulls":4},224.054554736,"?"]
[2152,"NNCC1=CC=CC=C1","555-96-4","NNCc1ccccc1","NNCc1ccccc1",{"$nulls":4},122.08439831999999,"?"]
[2153,"N[CH](CC1=CC=C(O)C=C1)C(O)=O","556-02-5","NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",{"$nulls":4},181.073893212,"?"]
[2154,null,"556-03-6",{"$nulls":7},""]
[2155,null,"556-33-2",{"$nulls":7},""]
[2156,null,"556-38-7",{"$nulls":7},""]
[2157,null,"556-50-3",{"$nulls":7},""]
[2158,"OCC1CO1","556-52-5","OCC1CO1","OCC1OC1",{"$nulls":4},74.036779432,"?"]
[2159,"CN=C=S","556-61-6","CN=C=S","CN=C=S",{"$nulls":4},72.998620096,"?"]
[2160,null,"556-67-2",{"$nulls":7},""]
[2161,"NC(=N)N[N+]([O-])=O","556-88-7","N=C(N)N[N+](=O)[O-]","N=C(N)N[N+](=O)[O-]",{"$nulls":4},104.033425368,"?"]
[2162,null,"557-01-7",{"$nulls":7},""]
[2163,"CCCOC","557-17-5","CCCOC","CCCOC",{"$nulls":4},74.07316494,"?"]
[2164,"CCCC(=O)OCC(O)CO","557-25-5","CCCC(=O)OCC(O)CO","CCCC(=O)OCC(O)CO",{"$nulls":4},162.089208928,"?"]
[2165,"[Zn++].CCC([O-])=O.CCC([O-])=O","557-28-8","CCC(=O)[O-]","CCC(=O)O","CCC([O-])=O","[Zn+2]",null,null,209.987051,"Structure has been neutralized"]
[2166,"[Zn++].CC([O-])=O.CC([O-])=O","557-34-6","[Zn+2]","[Zn+2]","CC([O-])=O","CC([O-])=O",null,null,181.955750872,"?"]
[2167,"C=CCOCC=C","557-40-4","C=CCOCC=C","C=CCOCC=C",{"$nulls":4},98.07316494,"?"]
[2168,"[Zn++].[O-]C=O.[O-]C=O","557-41-5","[Zn+2]","[Zn+2]","[O-]C=O","[O-]C=O",null,null,153.924450744,"?"]
[2169,"BrC(Br)(Br)Br","558-13-4","BrC(Br)(Br)Br","BrC(Br)(Br)Br",{"$nulls":4},327.6733484,"?"]
[2170,"CS(F)(=O)=O","558-25-8","CS(=O)(=O)F","CS(=O)(=O)F",{"$nulls":4},97.983778556,"?"]
[2171,"CC1(C)CO1","558-30-5","CC1(C)CO1","CC1(OC1)C",{"$nulls":4},72.057514876,"?"]
[2172,"CC(C)(O)CCl","558-42-9","CC(C)(O)CCl","CC(C)(O)CCl",{"$nulls":4},108.034192588,"?"]
[2173,"[O-][N+](=O)C(Br)([N+]([O-])=O)[N+]([O-])=O","560-95-2","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},228.89704682,"Errors in neutralization"]
[2174,"CN1CC[C]23[CH]4OC5=C(OC(C)=O)C=CC(C[CH]1[CH]2C=C[CH]4OC(C)=O)=C35","561-27-3","CC(=O)Oc1ccc2c3c1OC1C(OC(C)=O)C=CC4C(C2)N(C)CCC341","CC(=O)Oc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)OC(C)=O",{"$nulls":4},369.1576228360006,"?"]
[2175,"CCC(C)(C)CC","562-49-2","CCC(C)(C)CC","CCC(C)(C)CC",{"$nulls":4},100.12520051199999,"?"]
[2176,"CCOP(=S)(OCC)SCSP(=S)(OCC)OCC","563-12-2","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC",{"$nulls":4},383.98761644400054,"?"]
[2177,"CC(C)C=C","563-45-1","C=CC(C)C","C=CC(C)C",{"$nulls":4},70.07825032,"?"]
[2178,"CCC(C)=C","563-46-2","C=C(C)CC","C=C(C)CC",{"$nulls":4},70.07825032,"?"]
[2179,null,"563-47-3",{"$nulls":7},""]
[2180,"CC(Cl)=CCl","563-54-2","CC(Cl)=CCl","CC(Cl)=CCl",{"$nulls":4},109.969005488,"?"]
[2181,"CC(C)C(C)=O","563-80-4","CC(=O)C(C)C","CC(=O)C(C)C",{"$nulls":4},86.07316494,"?"]
[2182,"CC(O)C(C)Cl","563-84-8","CC(O)C(C)Cl","CC(O)C(C)Cl",{"$nulls":4},108.034192588,"?"]
[2183,"C1OC1C1CO1","564-00-1","C1OC1C1CO1","C1C(O1)C2OC2",{"$nulls":4},86.036779432,"?"]
[2184,"CCC(C)C(C)(C)C","564-02-3","CCC(C)C(C)(C)C","CCC(C)C(C)(C)C",{"$nulls":4},114.14085057599999,"?"]
[2185,"C[CH]1[CH]2[CH](O)[CH]3[CH](N(C)C)C(O)=C(C(N)=O)C(=O)[C]3(O)C(O)=C2C(=O)C2=C1C=CC=C2O","564-25-0","CC1c2cccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C21","CC1C2C(C(c3c1cccc3O)=O)=C(O)C4(C(C(C(=C(C4=O)C(N)=O)O)N(C)C)C2O)O",{"$nulls":4},444.1532657280006,"?"]
[2186,null,"565-07-1",{"$nulls":7},""]
[2187,null,"565-20-8",{"$nulls":7},""]
[2188,null,"565-50-4",{"$nulls":7},""]
[2189,"CCC(C)C(C)C","565-59-3","CCC(C)C(C)C","CCC(C)C(C)C",{"$nulls":4},100.12520051199999,"?"]
[2190,null,"565-60-6",{"$nulls":7},""]
[2191,"CCC(C)C(C)=O","565-61-7","CCC(C)C(C)=O","CCC(C)C(C)=O",{"$nulls":4},100.088815004,"?"]
[2192,null,"565-67-3",{"$nulls":7},""]
[2193,"CCC(=O)C(C)C","565-69-5","CCC(=O)C(C)C","CCC(=O)C(C)C",{"$nulls":4},100.088815004,"?"]
[2194,null,"565-71-9",{"$nulls":7},""]
[2195,"CC(C)C(Br)C(O)=O","565-74-2","CC(C)C(Br)C(=O)O","CC(C)C(Br)C(=O)O",{"$nulls":4},179.978591628,"?"]
[2196,"CC(C)C(C)C(C)C","565-75-3","CC(C)C(C)C(C)C","CC(C)C(C)C(C)C",{"$nulls":4},114.14085057599999,"?"]
[2197,"CC(C)C(=O)C(C)C","565-80-0","CC(C)C(=O)C(C)C","CC(C)C(=O)C(C)C",{"$nulls":4},114.104465068,"?"]
[2198,"CC(N)C(O)C(O)=O","565-81-1","CC(N)C(O)C(=O)O","CC(N)C(O)C(=O)O",{"$nulls":4},119.058243148,"?"]
[2199,"COC1=CC(=CC(OC)=C1O)[CH]1[CH]2[CH](COC2=O)CC2=C(O)C3=C(OCO3)C=C12","568-53-6","COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1O","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)O",{"$nulls":4},400.1158176000005,"?"]
[2200,"COC1=C(OC)C2=C(COC2=O)C=C1","569-31-3","COc1ccc2c(c1OC)C(=O)OC2","COc1c(c2c(cc1)COC2=O)OC",{"$nulls":4},194.0579088,"?"]
[2201,"OC(=O)C1=CC=CC(C(O)=O)=C1C(O)=O","569-51-7","O=C(O)c1cccc(C(=O)O)c1C(=O)O","O=C(O)c1c(c(ccc1)C(=O)O)C(=O)O",{"$nulls":4},210.01643791200001,"?"]
[2202,"OC(=O)C1=C(N=CN1)C(O)=O","570-22-9","O=C(O)c1nc[nH]c1C(=O)O","O=C(O)c1c([nH]cn1)C(=O)O",{"$nulls":4},156.017106608,"?"]
[2203,"CC1=CC=C(C)C2=C1C=CC=C2","571-58-4","Cc1ccc(C)c2ccccc12","Cc1c2c(c(cc1)C)cccc2",{"$nulls":4},156.093900384,"?"]
[2204,"CC1=CC=CC2=C(C)C=CC=C12","571-61-9","Cc1cccc2c(C)cccc12","Cc1c2c(ccc1)c(C)ccc2",{"$nulls":4},156.093900384,"?"]
[2205,"O[CH]1[CH](O)[CH](O)[CH](OP([O-])([O-])=O)[CH](O)[CH]1O","573-35-3","O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O","O=P(O)(O)OC1C(C(C(C(C1O)O)O)O)O",{"$nulls":4},258.0140685620001,"Structure has been neutralized"]
[2206,"OC1=C(C=CC=C1[N+]([O-])=O)[N+]([O-])=O","573-56-8","O=[N+]([O-])c1cccc([N+](=O)[O-])c1O","O=[N+]([O-])c1c(c(ccc1)[N+](=O)[O-])O",{"$nulls":4},184.012021228,"?"]
[2207,null,"573-89-7",{"$nulls":7},""]
[2208,"CC1=CC(C)=C2C=CC=CC2=C1","575-41-7","Cc1cc(C)c2ccccc2c1","Cc1cc2c(c(c1)C)cccc2",{"$nulls":4},156.093900384,"?"]
[2209,"COCOC(=O)C1=CC=CC=C1O","575-82-6","COCOC(=O)c1ccccc1O","COCOC(=O)c1c(cccc1)O",{"$nulls":4},182.0579088,"?"]
[2210,"OC(=O)COC1=C(Cl)C=C(Cl)C=C1Cl","575-89-3","O=C(O)COc1c(Cl)cc(Cl)cc1Cl","O=C(O)COc1c(cc(cc1Cl)Cl)Cl",{"$nulls":4},253.93042705999997,"?"]
[2211,"OC1=CC=CC(Cl)=C1Cl","576-24-9","Oc1cccc(Cl)c1Cl","Oc1c(c(ccc1)Cl)Cl",{"$nulls":4},161.963920108,"?"]
[2212,"CC1=CC=CC(C)=C1O","576-26-1","Cc1cccc(C)c1O","Cc1c(c(ccc1)C)O",{"$nulls":4},122.07316494,"?"]
[2213,"OC(=O)C1CCNCC1C(O)=O","577-58-2","O=C(O)C1CCNCC1C(=O)O","O=C(O)C1C(CNCC1)C(=O)O",{"$nulls":4},173.068807832,"?"]
[2214,null,"577-66-2",{"$nulls":7},""]
[2215,"OC1=CC(=C(C=C1)[N+]([O-])=O)[N+]([O-])=O","577-71-9","O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]","O=[N+]([O-])c1c(cc(cc1)O)[N+](=O)[O-]",{"$nulls":4},184.012021228,"?"]
[2216,"NC1=CC=CC2=CC3=CC=CC=C3N=C12","578-06-3","Nc1cccc2cc3ccccc3nc12","Nc1c2c(ccc1)cc3c(cccc3)n2",{"$nulls":4},194.08439832,"?"]
[2217,null,"578-67-6",{"$nulls":7},""]
[2218,"CC(=O)C(=O)C1=CC=CC=C1","579-07-7","CC(=O)C(=O)c1ccccc1","CC(=O)C(=O)c1ccccc1",{"$nulls":4},148.052429496,"?"]
[2219,"CN(C(C)=O)C1=CC=CC=C1","579-10-2","CC(=O)N(C)c1ccccc1","CC(=O)N(C)c1ccccc1",{"$nulls":4},149.084063972,"?"]
[2220,null,"579-43-1",{"$nulls":7},""]
[2221,"OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1","579-44-2","O=C(c1ccccc1)C(O)c1ccccc1","O=C(c1ccccc1)C(O)c2ccccc2",{"$nulls":4},212.083729624,"?"]
[2222,"CCC1=CC=CC(CC)=C1N","579-66-8","CCc1cccc(CC)c1N","CCc1c(c(ccc1)CC)N",{"$nulls":4},149.12044948,"?"]
[2223,"COC1=CC=CC=C1C(O)=O","579-75-9","COc1ccccc1C(=O)O","COc1c(cccc1)C(=O)O",{"$nulls":4},152.047344116,"?"]
[2224,"BrC1=CC=C2C=CC=CC2=C1","580-13-2","Brc1ccc2ccccc2c1","Brc1cc2c(cc1)cccc2",{"$nulls":4},205.973112324,"?"]
[2225,"OC1=CC2=C(C=C1)N=CC=C2","580-16-5","Oc1ccc2ncccc2c1","Oc1cc2c(cc1)nccc2",{"$nulls":4},145.052763844,"?"]
[2226,"OC1=CC2=CC=CC=C2N=C1","580-18-7","Oc1cnc2ccccc2c1","Oc1cc2c(nc1)cccc2",{"$nulls":4},145.052763844,"?"]
[2227,"OC1=CC=C2C=CC=NC2=C1","580-20-1","Oc1ccc2cccnc2c1","Oc1cc2c(cc1)cccn2",{"$nulls":4},145.052763844,"?"]
[2228,"CCN(CC)C1=NC(=NC(Cl)=N1)N(CC)CC","580-48-3","CCN(CC)c1nc(Cl)nc(N(CC)CC)n1","CCN(CC)c1nc(nc(n1)Cl)N(CC)CC",{"$nulls":4},257.14072332,"?"]
[2229,"CC1=C(C)C=C2C=CC=CC2=C1","581-40-8","Cc1cc2ccccc2cc1C","Cc1c(cc2c(c1)cccc2)C",{"$nulls":4},156.093900384,"?"]
[2230,"CC1=CC2=C(C=C1)C=C(C)C=C2","581-42-0","Cc1ccc2cc(C)ccc2c1","Cc1cc2c(cc1)cc(C)cc2",{"$nulls":4},156.093900384,"?"]
[2231,"OC1=CC2=CC=C(O)C=C2C=C1","581-43-1","Oc1ccc2cc(O)ccc2c1","Oc1cc2c(cc1)cc(O)cc2",{"$nulls":4},160.052429496,"?"]
[2232,null,"581-49-7",{"$nulls":7},""]
[2233,"C1=CC=C(N=C1)C1=CN=CC=C1","581-50-0","c1ccc(-c2cccnc2)nc1","c1cnc(cc1)-c2cnccc2",{"$nulls":4},156.068748256,"?"]
[2234,"[O-][N+](=O)C1=CC=C2C=CC=CC2=C1","581-89-5","O=[N+]([O-])c1ccc2ccccc2c1","O=[N+]([O-])c1cc2c(cc1)cccc2",{"$nulls":4},173.047678464,"?"]
[2235,null,"582-52-5",{"$nulls":7},""]
[2236,null,"583-40-4",{"$nulls":7},""]
[2237,"[K+].[K+].[O-]C(=O)C([O-])=O","583-52-8","O=C([O-])C(=O)[O-]","O=C(O)C(=O)O","[K+]","[K+]",null,null,165.90707184000001,"Structure has been neutralized"]
[2238,"BrC1=C(Br)C=CC=C1","583-53-9","Brc1ccccc1Br","Brc1c(cccc1)Br",{"$nulls":4},233.867974328,"?"]
[2239,"CC1CCCCC1C","583-57-3","CC1CCCCC1C","CC1C(CCCC1)C",{"$nulls":4},112.12520051199999,"?"]
[2240,"CC1=C(C)C=NC=C1","583-58-4","Cc1ccncc1C","Cc1c(cncc1)C",{"$nulls":4},107.073499288,"?"]
[2241,"CC1=C(C)N=CC=C1","583-61-9","Cc1cccnc1C","Cc1c(nccc1)C",{"$nulls":4},107.073499288,"?"]
[2242,"OC1=CC(Cl)=CC=C1Cl","583-78-8","Oc1cc(Cl)ccc1Cl","Oc1c(ccc(c1)Cl)Cl",{"$nulls":4},161.963920108,"?"]
[2243,"CCC(O)CC","584-02-1","CCC(O)CC","CCC(O)CC",{"$nulls":4},88.088815004,"?"]
[2244,"CCC(O)CO","584-03-2","CCC(O)CO","CCC(O)CO",{"$nulls":4},90.06807956,"?"]
[2245,"CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C","584-79-2","C=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O","C=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",{"$nulls":4},302.1881946920007,"?"]
[2246,null,"584-98-5",{"$nulls":7},""]
[2247,"CC(NC(N)=O)C(O)=O","585-04-6","CC(NC(N)=O)C(=O)O","CC(NC(N)=O)C(=O)O",{"$nulls":4},132.053492116,"?"]
[2248,"CC(=C)C(=O)OC(C)(C)C","585-07-9","C=C(C)C(=O)OC(C)(C)C","C=C(C)C(=O)OC(C)(C)C",{"$nulls":4},142.099379688,"?"]
[2249,"CC(C)(C)C1=CC=CC(O)=C1","585-34-2","CC(C)(C)c1cccc(O)c1","CC(C)(C)c1cc(ccc1)O",{"$nulls":4},150.104465068,"?"]
[2250,"OC(=O)C1=CC=C(Br)O1","585-70-6","O=C(O)c1ccc(Br)o1","O=C(O)c1oc(cc1)Br",{"$nulls":4},189.926556056,"?"]
[2251,"OC(=O)C1=CC(Br)=CC=C1","585-76-2","O=C(O)c1cccc(Br)c1","O=C(O)c1cc(ccc1)Br",{"$nulls":4},199.9472915,"?"]
[2252,"[O-][N+](=O)C1=CC(Br)=CC=C1","585-79-5","O=[N+]([O-])c1cccc(Br)c1","O=[N+]([O-])c1cc(ccc1)Br",{"$nulls":4},200.942540468,"?"]
[2253,"OC(=O)CC(=CC(O)=O)C(O)=O","585-84-2","O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O",{"$nulls":4},174.01643791200001,"?"]
[2254,"OC[CH](O)[CH](O)[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)CO","585-86-4","OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO","OCC(O)C(O)C(OC1C(C(C(C(O1)CO)O)O)O)C(O)CO",{"$nulls":4},344.1318615880006,"?"]
[2255,null,"585-99-9",{"$nulls":7},""]
[2256,"OC1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O","586-11-8","O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1","O=[N+]([O-])c1cc(cc(c1)O)[N+](=O)[O-]",{"$nulls":4},184.012021228,"?"]
[2257,"OC(=O)C1=CC(Br)=C(C=C1)C(O)=O","586-35-6","O=C(O)c1ccc(C(=O)O)c(Br)c1","O=C(O)c1cc(c(cc1)C(=O)O)Br",{"$nulls":4},243.93712074,"?"]
[2258,"CC(C)=C1CCC(C)=CC1","586-62-9","CC1=CCC(=C(C)C)CC1","CC=1CCC(CC1)=C(C)C",{"$nulls":4},136.125200512,"?"]
[2259,"OC(=O)C1=CC=C(Br)C=C1","586-76-5","O=C(O)c1ccc(Br)cc1","O=C(O)c1ccc(cc1)Br",{"$nulls":4},199.9472915,"?"]
[2260,null,"586-84-5",{"$nulls":7},""]
[2261,"OCC1=CC=NC=C1","586-95-8","OCc1ccncc1","OCc1ccncc1",{"$nulls":4},109.052763844,"?"]
[2262,"NC(=O)OC(CCl)CCl","587-01-9","NC(=O)OC(CCl)CCl","NC(=O)OC(CCl)CCl",{"$nulls":4},170.985383824,"?"]
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[2356,null,"599-75-7",{"$nulls":7},""]
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[2393,null,"608-39-9",{"$nulls":7},""]
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[2658,null,"723-47-7",{"$nulls":7},""]
[2659,"OC(=O)C1=C2C=CC=CC2=CC2=CC=CC=C12","723-62-6","O=C(O)c1c2ccccc2cc2ccccc12","O=C(O)c1c2c(cc3c1cccc3)cccc2",{"$nulls":4},222.06807956,"?"]
[2660,"CC1=C(C)N=C(NS(=O)(=O)C2=CC=C(N)C=C2)O1","729-99-7","Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C","Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C",{"$nulls":4},267.0677622760003,"?"]
[2661,"CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)C1=CC=C(C)C=C1","731-27-1","Cc1ccc(N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C)cc1","Cc1ccc(cc1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C",{"$nulls":4},345.97795323600036,"?"]
[2662,"COP(=S)(OC)SCN1C(=O)C2=C(C=CC=C2)C1=O","732-11-6","COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O","COP(=S)(OC)SCN1C(c2c(C1=O)cccc2)=O",{"$nulls":4},316.99453649400033,"?"]
[2663,"CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C","732-26-3","CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1","CC(C)(C)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C",{"$nulls":4},262.2296655800002,"?"]
[2664,"COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC","738-70-5","COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC","COc1c(c(cc(c1)Cc2c(nc(nc2)N)N)OC)OC",{"$nulls":4},290.1378904360005,"?"]
[2665,"CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1","741-58-2","CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1","CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1",{"$nulls":4},397.06050787800064,"?"]
[2666,"CN(C)[CH]1[CH]2CC3C(=C(O)[C]2(O)C(=O)C(C(=O)NCN2CCCC2)=C1O)C(=O)C1=C(C=CC=C1O)[C]3(C)O","751-97-3","CN(C)C1C(O)=C(C(=O)NCN2CCCC2)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12","CN(C)C1C2C(C(C(=C1O)C(=O)NCN3CCCC3)=O)(O)C(O)=C4C(C(c5c(C4=O)c(O)ccc5)(C)O)C2",{"$nulls":4},527.2267650160009,"?"]
[2667,"C[Sn](C)(Cl)Cl","753-73-1","C[Sn](C)(Cl)Cl","C[Sn](C)(Cl)Cl",{"$nulls":4},219.886850252,"?"]
[2668,"COP(C)(=O)OC","756-79-6","COP(C)(=O)OC","COP(C)(=O)OC",{"$nulls":4},124.028930778,"?"]
[2669,null,"757-58-4",{"$nulls":7},""]
[2670,"CCN(N=O)C(N)=O","759-73-9","CCN(N=O)C(N)=O","CCN(N=O)C(N)=O",{"$nulls":4},117.053826464,"?"]
[2671,"CCCN(CCC)C(=O)SCC","759-94-4","CCCN(CCC)C(=O)SCC","CCCN(CCC)C(=O)SCC",{"$nulls":4},189.118735228,"?"]
[2672,"ClCC(Cl)C=C","760-23-6","C=CC(Cl)CCl","C=CC(Cl)CCl",{"$nulls":4},123.98465555199999,"?"]
[2673,null,"760-54-3",{"$nulls":7},""]
[2674,null,"760-55-4",{"$nulls":7},""]
[2675,"CCCC(N)C(O)=O","760-78-1","CCCC(N)C(=O)O","CCCC(N)C(=O)O",{"$nulls":4},117.078978592,"?"]
[2676,"FCCCl","762-50-5","FCCCl","FCCCl",{"$nulls":4},81.998556028,"?"]
[2677,"CCCCC(C)=C","763-29-1","C=C(C)CCCC","C=C(C)CCCC",{"$nulls":4},98.109550448,"?"]
[2678,"CCOCCC(=O)OCC","763-69-9","CCOCCC(=O)OCC","CCOCCC(=O)OCC",{"$nulls":4},146.094294308,"?"]
[2679,"CC(C)=CC=C(C)C","764-13-6","CC(C)=CC=C(C)C","CC(C)=CC=C(C)C",{"$nulls":4},110.109550448,"?"]
[2680,"ClCC=CCCl","764-41-0","ClCC=CCCl","ClCC=CCCl",{"$nulls":4},123.98465555199999,"?"]
[2681,"O=CC1CO1","765-34-4","O=CC1CO1","O=CC1OC1",{"$nulls":4},72.021129368,"?"]
[2682,"COC1=C(Cl)C=CC=C1","766-51-8","COc1ccccc1Cl","COc1c(cccc1)Cl",{"$nulls":4},142.018542524,"?"]
[2683,"CC1=CC(C)=NC(N)=N1","767-15-7","Cc1cc(C)nc(N)n1","Cc1nc(nc(c1)C)N",{"$nulls":4},123.07964728799999,"?"]
[2684,"C1CCC2NCCCC2C1","767-92-0","C1CCC2NCCCC2C1","C1CC2C(CC1)NCCC2",{"$nulls":4},139.136099544,"?"]
[2685,"CC(O)COC1=CC=CC=C1","770-35-4","CC(O)COc1ccccc1","CC(O)COc1ccccc1",{"$nulls":4},152.083729624,"?"]
[2686,"C1CC2=CC=CC=C2C2=CC=CC=C12","776-35-2","c1ccc2c(c1)CCc1ccccc1-2","c1cc2c(cc1)-c3c(CC2)cccc3",{"$nulls":4},180.093900384,"?"]
[2687,"CC1=C2C=CC=CC2=CC2=CC=CC=C12","779-02-2","Cc1c2ccccc2cc2ccccc12","Cc1c2c(cc3c1cccc3)cccc2",{"$nulls":4},192.093900384,"?"]
[2688,"CC1=C2C=CC=CC2=C(C)C2=CC=CC=C12","781-43-1","Cc1c2ccccc2c(C)c2ccccc12","Cc1c2c(c(c3c1cccc3)C)cccc2",{"$nulls":4},206.109550448,"?"]
[2689,"CCOP(=S)(OCC)SCSC1=CC=C(Cl)C=C1","786-19-6","CCOP(=S)(OCC)SCSc1ccc(Cl)cc1","CCOP(=S)(OCC)SCSc1ccc(cc1)Cl",{"$nulls":4},341.97385706200043,"?"]
[2690,"O=C(NNC(=O)C1=CC=CC=C1)C1=CC=CC=C1","787-84-8","O=C(NNC(=O)c1ccccc1)c1ccccc1","O=C(NNC(=O)c1ccccc1)c2ccccc2",{"$nulls":4},240.089877624,"?"]
[2691,"ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl","789-02-6","Clc1ccc(C(c2ccccc2Cl)C(Cl)(Cl)Cl)cc1","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)(Cl)Cl",{"$nulls":4},351.91468868800024,"?"]
[2692,null,"803-45-2",{"$nulls":7},""]
[2693,"CCCOP(=O)(OCC)OCC","814-22-2","CCCOP(=O)(OCC)OCC","CCCOP(=O)(OCC)OCC",{"$nulls":4},196.086445654,"?"]
[2694,"CCCCP(=O)(CCCC)CCCC","814-29-9","CCCCP(=O)(CCCC)CCCC","CCCCP(=O)(CCCC)CCCC",{"$nulls":4},218.17995211399997,"?"]
[2695,"CCOC(=O)CCCC(=O)OCC","818-38-2","CCOC(=O)CCCC(=O)OCC","CCOC(=O)CCCC(=O)OCC",{"$nulls":4},188.104858992,"?"]
[2696,"OCCOC(=O)C=C","818-61-1","C=CC(=O)OCCO","C=CC(=O)OCCO",{"$nulls":4},116.047344116,"?"]
[2697,"[Ca++].[O-]S(=O)(=O)CS([O-])(=O)=O","819-17-0","O=S(=O)([O-])CS(=O)(=O)[O-]","O=S(=O)(O)CS(=O)(=O)O","[Ca+2]",{"$nulls":3},213.89187076400003,"Structure has been neutralized"]
[2698,"OCCCC=C","821-09-0","C=CCCCO","C=CCCCO",{"$nulls":4},86.07316494,"?"]
[2699,"CC(O)CCOCCC(C)O","821-33-0","CC(O)CCOCCC(C)O","CC(O)CCOCCC(C)O",{"$nulls":4},162.125594436,"?"]
[2700,"OC(=O)CCCCCCCCCCCCC(O)=O","821-38-5","O=C(O)CCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCC(=O)O",{"$nulls":4},258.18310931200006,"?"]
[2701,"CCCCCCCC(C)=O","821-55-6","CCCCCCCC(C)=O","CCCCCCCC(C)=O",{"$nulls":4},142.135765196,"?"]
[2702,"CC(C)C1OCCO1","822-83-3","CC(C)C1OCCO1","CC(C)C1OCCO1",{"$nulls":4},116.083729624,"?"]
[2703,"CSC1=NC=CC=N1","823-09-6","CSc1ncccn1","CSc1ncccn1",{"$nulls":4},126.02516919199999,"?"]
[2704,null,"826-91-5",{"$nulls":7},""]
[2705,"CC1CC(OC(C)=O)OC(C)O1","828-00-2","CC(=O)OC1CC(C)OC(C)O1","CC(=O)OC1OC(OC(C1)C)C",{"$nulls":4},174.089208928,"?"]
[2706,"CC1=CC2=CC(C)=C(C)C=C2C=C1","829-26-5","Cc1ccc2cc(C)c(C)cc2c1","Cc1cc2c(cc1)cc(C)c(C)c2",{"$nulls":4},170.109550448,"?"]
[2707,"COC1=CC=C(C=CC(O)=O)C=C1","830-09-1","COc1ccc(C=CC(=O)O)cc1","COc1ccc(cc1)C=CC(=O)O",{"$nulls":4},178.06299418,"?"]
[2708,null,"830-65-9",{"$nulls":7},""]
[2709,null,"832-66-6",{"$nulls":7},""]
[2710,"CC1=C2C=CC3=CC=CC=C3C2=CC=C1","832-69-9","Cc1cccc2c1ccc1ccccc12","Cc1c2c(ccc1)c3c(cc2)cccc3",{"$nulls":4},192.093900384,"?"]
[2711,"CCNC1=NC(SC)=NC(NC(C)C)=N1","834-12-8","CCNc1nc(NC(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)C)SC",{"$nulls":4},227.12046654399998,"?"]
[2712,"CCOC(=O)[CH](CC1=CC=C(O)C=C1)N=C(C)O","840-97-1","CCOC(=O)C(Cc1ccc(O)cc1)N=C(C)O","CCOC(=O)C(Cc1ccc(cc1)O)N=C(C)O",{"$nulls":4},251.115758024,"?"]
[2713,"COCCCNC1=NC(NC(C)C)=NC(SC)=N1","841-06-5","COCCCNc1nc(NC(C)C)nc(SC)n1","COCCCNc1nc(nc(n1)NC(C)C)SC",{"$nulls":4},271.14668129200044,"?"]
[2714,null,"845-52-3",{"$nulls":7},""]
[2715,"OC1N=C(C2=CC=CC=C2Cl)C2=CC(Cl)=CC=C2NC1=O","846-49-1","O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O","O=C1C(N=C(c2c(N1)ccc(Cl)c2)c3c(cccc3)Cl)O",{"$nulls":4},320.0119329200003,"?"]
[2716,null,"853-23-6",{"$nulls":7},""]
[2717,"CC(=O)CCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1","853-34-9","CC(=O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O","CC(=O)CCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O",{"$nulls":4},322.13174243600054,"?"]
[2718,null,"866-23-9",{"$nulls":7},""]
[2719,null,"866-84-2",{"$nulls":7},""]
[2720,"CC(=C)C(=O)OCCO","868-77-9","C=C(C)C(=O)OCCO","C=C(C)C(=O)OCCO",{"$nulls":4},130.06299418,"?"]
[2721,"CC(=O)OC(OC(C)=O)C=C","869-29-4","C=CC(OC(C)=O)OC(C)=O","C=CC(OC(C)=O)OC(C)=O",{"$nulls":4},158.0579088,"?"]
[2722,"CC(=O)NCCNC(C)=O","871-78-3","CC(=O)NCCNC(C)=O","CC(=O)NCCNC(C)=O",{"$nulls":4},144.089877624,"?"]
[2723,"CCCCCCCCC=C","872-05-9","C=CCCCCCCCC","C=CCCCCCCCC",{"$nulls":4},140.15650064,"?"]
[2724,"CN1CCCC1=O","872-50-4","CN1CCCC1=O","CN1C(CCC1)=O",{"$nulls":4},99.068413908,"?"]
[2725,null,"872-55-9",{"$nulls":7},""]
[2726,"OCC1=CC=C(Br)C=C1","873-75-6","OCc1ccc(Br)cc1","OCc1ccc(cc1)Br",{"$nulls":4},185.968026944,"?"]
[2727,"OCC1=CC=C(Cl)C=C1","873-76-7","OCc1ccc(Cl)cc1","OCc1ccc(cc1)Cl",{"$nulls":4},142.018542524,"?"]
[2728,"[K+].OC(=O)C1=C(C=CC=C1)C([O-])=O","877-24-7","O=C([O-])c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(=O)O","[K+]",{"$nulls":3},203.98249032,"Structure has been neutralized"]
[2729,"[O-][N+](=O)C1=CC(Cl)=C(Cl)C(Cl)=C1Cl","879-39-0","O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(c(c1)Cl)Cl)Cl)Cl",{"$nulls":4},258.87613899200005,"?"]
[2730,null,"884-43-5",{"$nulls":7},""]
[2731,null,"885-82-5",{"$nulls":7},""]
[2732,"CCNC1=NC(SC)=NC(NC(C)(C)C)=N1","886-50-0","CCNc1nc(NC(C)(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)(C)C)SC",{"$nulls":4},241.13611660799998,"?"]
[2733,null,"886-86-2",{"$nulls":7},""]
[2734,"[O-][N+](=O)C1=CC=C2C3=CC=CC=C3C3=CC=CC1=C23","892-21-7","O=[N+]([O-])c1ccc2c3c(cccc13)-c1ccccc1-2","O=[N+]([O-])c1c2c3c(cc1)-c4c(-c3ccc2)cccc4",{"$nulls":4},247.063328528,"?"]
[2735,"CC(=O)O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1","900-95-8","CC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1","CC(=O)O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3",{"$nulls":4},410.0328745160005,"?"]
[2736,"CC(=O)NCC(O)=O.CC(=O)NCC(O)=O.NC(=N)C1=CC=C(NN=NC2=CC=C(C=C2)C(N)=N)C=C1","908-54-3","N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1","N=C(N)c1ccc(cc1)N=NNc2ccc(cc2)C(=N)N","CC(=O)NCC(O)=O","CC(=O)NCC(O)=O",null,null,515.2240796480005,"?"]
[2737,"CN(C)[CH]1[CH]2[CH](O)[CH]3C(=C)C4=C(C(O)=CC=C4)C(=O)C3=C(O)[C]2(O)C(=O)C(C(N)=O)=C1O","914-00-1","C=C1c2cccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C12","C=C1C2C(C(c3c1cccc3O)=O)=C(O)C4(C(C(C(=C(C4=O)C(N)=O)O)N(C)C)C2O)O",{"$nulls":4},442.1376156640005,"?"]
[2738,null,"919-76-6",{"$nulls":7},""]
[2739,"CCSCCSP(=O)(OC)OC","919-86-8","CCSCCSP(=O)(OC)OC","CCSCCSP(=O)(OC)OC",{"$nulls":4},230.02002297,"?"]
[2740,"CCOC(C)(C)CC","919-94-8","CCOC(C)(C)CC","CCOC(C)(C)CC",{"$nulls":4},116.120115132,"?"]
[2741,"CC(C(O)=O)C(C)(C)CCC(O)=O","920-79-6","CC(C(=O)O)C(C)(C)CCC(=O)O","CC(C(=O)O)C(C)(C)CCC(=O)O",{"$nulls":4},188.104858992,"?"]
[2742,null,"923-06-8",{"$nulls":7},""]
[2743,null,"923-18-2",{"$nulls":7},""]
[2744,"CCCCN(CCCC)N=O","924-16-3","CCCCN(CCCC)N=O","CCCCN(CCCC)N=O",{"$nulls":4},158.141913196,"?"]
[2745,"OCNC(=O)C=C","924-42-5","C=CC(=O)NCO","C=CC(=O)NCO",{"$nulls":4},101.047678464,"?"]
[2746,null,"924-57-2",{"$nulls":7},""]
[2747,null,"924-62-9",{"$nulls":7},""]
[2748,"CCCC(=O)NCCNC(=O)CCC","925-49-5","CCCC(=O)NCCNC(=O)CCC","CCCC(=O)NCCNC(=O)CCC",{"$nulls":4},200.15247788,"?"]
[2749,"CCCCCC(=O)CCCCC","927-49-1","CCCCCC(=O)CCCCC","CCCCCC(=O)CCCCC",{"$nulls":4},170.167065324,"?"]
[2750,"CC(=O)OCCBr","927-68-4","CC(=O)OCCBr","CC(=O)OCCBr",{"$nulls":4},165.962941564,"?"]
[2751,"CCCCO[N+]([O-])=O","928-45-0","CCCCO[N+](=O)[O-]","CCCCO[N+](=O)[O-]",{"$nulls":4},119.058243148,"?"]
[2752,"CCC#CCC","928-49-4","CCC#CCC","CCC#CCC",{"$nulls":4},82.07825032,"?"]
[2753,"O=NN1CCCC1","930-55-2","O=NN1CCCC1","O=NN1CCCC1",{"$nulls":4},100.063662876,"?"]
[2754,"O=NN1CCCCCC1","932-83-2","O=NN1CCCCCC1","O=NN1CCCCCC1",{"$nulls":4},128.094963004,"?"]
[2755,"OC1=C(Cl)C=CC(Cl)=C1Cl","933-75-5","Oc1c(Cl)ccc(Cl)c1Cl","Oc1c(c(ccc1Cl)Cl)Cl",{"$nulls":4},195.924947756,"?"]
[2756,"CC1=NC2=NC=NC=C2N1","934-33-8","Cc1nc2ncncc2[nH]1","Cc1[nH]c2c(n1)ncnc2",{"$nulls":4},134.059246192,"?"]
[2757,null,"935-30-8",{"$nulls":7},""]
[2758,null,"936-16-3",{"$nulls":7},""]
[2759,"CC1=NC2=NC=NC=C2N=C1","936-40-3","Cc1cnc2cncnc2n1","Cc1nc2c(nc1)cncn2",{"$nulls":4},146.059246192,"?"]
[2760,null,"937-40-6",{"$nulls":7},""]
[2761,"BrC1=CC(=O)OC2=CC=CC=C12","938-40-9","O=c1cc(Br)c2ccccc2o1","O=c1oc2c(c(c1)Br)cccc2",{"$nulls":4},223.9472915,"?"]
[2762,"COC1=CC(Cl)=C(Cl)C(Cl)=C1Cl","938-86-3","COc1cc(Cl)c(Cl)c(Cl)c1Cl","COc1c(c(c(c(c1)Cl)Cl)Cl)Cl",{"$nulls":4},243.901625468,"?"]
[2763,"CCC1=CC=C2C=CC=CC2=C1","939-27-5","CCc1ccc2ccccc2c1","CCc1cc2c(cc1)cccc2",{"$nulls":4},156.093900384,"?"]
[2764,"CC1=CC=C(OCC(O)=O)C=C1","940-64-7","Cc1ccc(OCC(=O)O)cc1","Cc1ccc(cc1)OCC(=O)O",{"$nulls":4},166.06299418,"?"]
[2765,null,"943-89-5",{"$nulls":7},""]
[2766,"CCOP(=S)(CC)SC1=CC=CC=C1","944-22-9","CCOP(=S)(CC)Sc1ccccc1","CCOP(=S)(CC)Sc1ccccc1","FONOP[H]OS",{"$nulls":3},393.993547568,"?"]
[2767,"COC1=C(OC)C(Cl)=C(Cl)C(Cl)=C1Cl","944-61-6","COc1c(Cl)c(Cl)c(Cl)c(Cl)c1OC","COc1c(c(c(c(c1Cl)Cl)Cl)Cl)OC",{"$nulls":4},273.91219015200016,"?"]
[2768,"CCOP(=O)(OCC)N=C1SCCS1","947-02-4","CCOP(=O)(N=C1SCCS1)OCC","CCOP(=O)(N=C1SCCS1)OCC",{"$nulls":4},255.015271938,"?"]
[2769,"O=C1CCCCCCCCCCCN1","947-04-6","O=C1CCCCCCCCCCCN1","O=C1NCCCCCCCCCCC1",{"$nulls":4},197.177964356,"?"]
[2770,null,"950-10-7",{"$nulls":7},""]
[2771,"COC1=NN(CSP(=S)(OC)OC)C(=O)S1","950-37-8","COc1nn(CSP(=S)(OC)OC)c(=O)s1","COc1sc(n(n1)CSP(=S)(OC)OC)=O",{"$nulls":4},301.96185646200036,"?"]
[2772,"Cl.NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1","952-23-8","Nc1ccc2cc3ccc(N)cc3nc2c1","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2","Cl",{"$nulls":3},245.071975064,"?"]
[2773,null,"952-54-5",{"$nulls":7},""]
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[2827,null,"1115-51-1",{"$nulls":7},""]
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[2880,"CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1","1241-94-7","CCCCC(CC)COP(=O)(Oc1ccccc1)Oc1ccccc1","CCCCC(CC)COP(=O)(Oc1ccccc1)Oc2ccccc2",{"$nulls":4},362.1646959740007,"?"]
[2881,null,"1251-85-0",{"$nulls":7},""]
[2882,"CC1=C2C(=O)C3=C(C(O)=C(O)C([CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O","1260-17-9","Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O",{"$nulls":4},492.0903907000004,"?"]
[2883,null,"1300-21-6",{"$nulls":7},""]
[2884,"C*.C*.NC1=CC=CC=C1 |c:5,7,t:3,lp:4:1,m:1:9.10,3:6.7.8.9|","1300-73-8","*C","*C","C*","Nc1ccccc1",null,null,{"$error":"#NUM!"},"Errors in neutralization"]
[2885,null,"1321-04-6",{"$nulls":7},""]
[2886,null,"1321-16-0",{"$nulls":7},""]
[2887,null,"1321-65-9",{"$nulls":7},""]
[2888,null,"1321-94-4",{"$nulls":7},""]
[2889,null,"1330-20-7",{"$nulls":7},""]
[2890,null,"1330-78-5",{"$nulls":7},""]
[2891,null,"1331-22-2",{"$nulls":7},""]
[2892,"CC(C)CC(C)(O)C#CC(C)(O)CC(C)C","1333-17-1","CC(C)CC(C)(O)C#CC(C)(O)CC(C)C","CC(C)CC(C)(O)C#CC(C)(O)CC(C)C",{"$nulls":4},226.193280072,"?"]
[2893,null,"1333-38-6",{"$nulls":7},""]
[2894,"COC1=CC=C(C=C1)C(O)=O","1335-08-6","COc1ccc(C(=O)O)cc1","COc1ccc(cc1)C(=O)O",{"$nulls":4},152.047344116,"?"]
[2895,"[*]C1=C([*])C([*])=C(C([*])=C1[*])C1=C([*])C([*])=C([*])C([*])=C1[*] |$_R1;;;_R1;;_R1;;;_R1;;_R1;;;_R1;;_R1;;_R1;;_R1;;_R1$,c:1,5,8,12,20,t:16,RG:_R1={Cl* |$;_AP1$,lp:0:3|},LOG={_R1:;H;u003e0}|","1336-36-3","*c1c(*)c(*)c(-c2c(*)c(*)c(*)c(*)c2*)c(*)c1*","*c1c(*)c(*)c(-c2c(*)c(*)c(*)c(*)c2*)c(*)c1*","PCBS",{"$nulls":3},{"$error":"#NUM!"},"Errors in neutralization"]
[2896,null,"1390-65-4",{"$nulls":7},""]
[2897,null,"1400-61-9",{"$nulls":7},""]
[2898,null,"1415-73-2",{"$nulls":7},""]
[2899,"NCCO.OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O","1420-04-8","O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O","NCCO",{"$nulls":3},387.03887594000025,"?"]
[2900,"C1CN(CCO1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1","1420-06-0","c1ccc(C(c2ccccc2)(c2ccccc2)N2CCOCC2)cc1","c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCOCC4",{"$nulls":4},329.17796435600064,"?"]
[2901,"CC(C)(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O","1420-07-1","CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","CC(C)(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",{"$nulls":4},240.074621484,"?"]
[2902,"OC1=CC=C(C=C1)N=NC1=CC=C(C=C1)[N+]([O-])=O","1435-60-5","O=[N+]([O-])c1ccc(N=Nc2ccc(O)cc2)cc1","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)O",{"$nulls":4},243.064391148,"?"]
[2903,"CC(C)OP(C)(=O)OC(C)C","1445-75-6",null,null,"CC(C)OP(C)(=O)OC(C)C",{"$nulls":3},467.9789268220002,"?"]
[2904,"NC(=O)C1=CC=CC=N1","1452-77-3","NC(=O)c1ccccn1","NC(=O)c1ncccc1",{"$nulls":4},122.048012812,"?"]
[2905,"CCCCCCCCCCCCCCCCCO","1454-85-9","CCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCO",{"$nulls":4},256.276615772,"?"]
[2906,"CC1CN(CC(C)O1)N=O","1456-28-6","CC1CN(N=O)CC(C)O1","CC1OC(CN(C1)N=O)C",{"$nulls":4},144.089877624,"?"]
[2907,"COC(=O)C1=CC(=CC=C1)C(=O)OC","1459-93-4","COC(=O)c1cccc(C(=O)OC)c1","COC(=O)c1cc(ccc1)C(=O)OC",{"$nulls":4},194.0579088,"?"]
[2908,"CCCC[Sn](Cl)(CCCC)CCCC","1461-22-9","CCCC[Sn](Cl)(CCCC)CCCC","CCCC[Sn](Cl)(CCCC)CCCC",{"$nulls":4},326.08232324400075,"?"]
[2909,"CC1=NC(C)=C(C)C=C1","1462-84-6","Cc1ccc(C)c(C)n1","Cc1nc(c(cc1)C)C",{"$nulls":4},121.08914935199999,"?"]
[2910,"OC[CH]1O[CH](OC2=CC=CC=C2)[CH](O)[CH](O)[CH]1O","1464-44-4","OCC1OC(Oc2ccccc2)C(O)C(O)C1O","OCC1C(C(C(C(O1)Oc2ccccc2)O)O)O",{"$nulls":4},256.094688232,"?"]
[2911,"C1OC1C1CO1","1464-53-5","C1OC1C1CO1","C1C(O1)C2OC2",{"$nulls":4},86.036779432,"?"]
[2912,"OC1=CC2=C(CCC2)C=C1","1470-94-6","Oc1ccc2c(c1)CCC2","Oc1cc2c(cc1)CCC2",{"$nulls":4},134.07316494,"?"]
[2913,"ClCC=CCCl","1476-11-5","ClCC=CCCl","ClCC=CCCl",{"$nulls":4},123.98465555199999,"?"]
[2914,null,"1484-80-6",{"$nulls":7},""]
[2915,"CC(C)C1CCC(C)CC1O","1490-04-6","CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O",{"$nulls":4},156.15141526,"?"]
[2916,"O=C1CCCCC1C1=CCCCC1","1502-22-3","O=C1CCCCC1C1=CCCCC1","O=C1C(CCCC1)C=2CCCCC2",{"$nulls":4},178.135765196,"?"]
[2917,null,"1503-53-3",{"$nulls":7},""]
[2918,null,"1509-92-8",{"$nulls":7},""]
[2919,"CC(O)C1=CC=CC=C1","1517-69-7","CC(O)c1ccccc1","CC(O)c1ccccc1",{"$nulls":4},122.07316494,"?"]
[2920,"[Cl-].C[Pb+](C)C","1520-78-1","C[Pb+](C)C","C[Pb+](C)C","[Cl-]",{"$nulls":3},288.015930068,"Errors in neutralization"]
[2921,null,"1522-00-5",{"$nulls":7},""]
[2922,"CNC(=O)OC1=CC=CC2=C1OC(C)(C)C2","1563-66-2","CNC(=O)Oc1cccc2c1OC(C)(C)C2","CNC(=O)Oc1c2c(ccc1)CC(O2)(C)C",{"$nulls":4},221.10519334,"?"]
[2923,null,"1565-94-2",{"$nulls":7},""]
[2924,"COC1=CC=C(NC(N)=O)C=C1","1566-42-3","COc1ccc(NC(N)=O)cc1","COc1ccc(cc1)NC(N)=O",{"$nulls":4},166.07422756,"?"]
[2925,"COC1=CC(=C(O)C=C1)[N+]([O-])=O","1568-70-3","COc1ccc(O)c([N+](=O)[O-])c1","COc1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},169.037507704,"?"]
[2926,"CCCOCC(C)O","1569-01-3","CCCOCC(C)O","CCCOCC(C)O",{"$nulls":4},118.099379688,"?"]
[2927,"CC=CC(C)O","1569-50-2","CC=CC(C)O","CC=CC(C)O",{"$nulls":4},86.07316494,"?"]
[2928,"CC1=C(O)C=CC(Cl)=C1","1570-64-5","Cc1cc(Cl)ccc1O","Cc1c(ccc(c1)Cl)O",{"$nulls":4},142.018542524,"?"]
[2929,"CC1=C(O)C(Cl)=CC(Cl)=C1","1570-65-6","Cc1cc(Cl)cc(Cl)c1O","Cc1c(c(cc(c1)Cl)Cl)O",{"$nulls":4},175.979570172,"?"]
[2930,"OP(O)(=O)C1=CC=CC=C1","1571-33-1","O=P(O)(O)c1ccccc1","O=P(O)(O)c1ccccc1",{"$nulls":4},158.013280714,"?"]
[2931,"NC(=O)C1=CC(=CC=C1)S(N)(=O)=O","1576-42-7","NC(=O)c1cccc(S(N)(=O)=O)c1","NC(=O)c1cc(ccc1)S(N)(=O)=O",{"$nulls":4},200.025563116,"?"]
[2932,"OC(=O)C=C(Br)Br","1578-21-8","O=C(O)C=C(Br)Br","O=C(O)C=C(Br)Br",{"$nulls":4},227.842153504,"?"]
[2933,null,"1578-72-9",{"$nulls":7},""]
[2934,"CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","1582-09-8","CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},335.1092906520004,"?"]
[2935,null,"1587-18-4",{"$nulls":7},""]
[2936,"CC(NC(O)=N)NC(O)=N","1589-36-2","CC(NC(=N)O)NC(=N)O","CC(NC(=N)O)NC(=N)O",{"$nulls":4},146.08037556,"?"]
[2937,"NC(=O)NN=C1CCCCC1","1589-61-3","NC(=O)NN=C1CCCCC1","NC(=O)NN=C1CCCCC1",{"$nulls":4},155.105862036,"?"]
[2938,null,"1590-22-3",{"$nulls":7},""]
[2939,"CN(C)NC(=O)CCC(O)=O","1596-84-5","CN(C)NC(=O)CCC(=O)O","CN(C)NC(=O)CCC(=O)O",{"$nulls":4},160.084792244,"?"]
[2940,"[Hg++].CC([O-])=O.CC([O-])=O","1600-27-7","[Hg+2]","[Hg+2]","CC([O-])=O","CC([O-])=O",null,null,319.99725167200006,"?"]
[2941,"OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O","1607-17-6","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]",{"$nulls":4},271.02879348800025,"?"]
[2942,"CCNC1=NC(NC(C)C)=NC(OC)=N1","1610-17-9","CCNc1nc(NC(C)C)nc(OC)n1","CCNc1nc(nc(n1)NC(C)C)OC",{"$nulls":4},211.14331016399998,"?"]
[2943,"COC1=NC(NC(C)C)=NC(NC(C)C)=N1","1610-18-0","COc1nc(NC(C)C)nc(NC(C)C)n1","COc1nc(nc(n1)NC(C)C)NC(C)C",{"$nulls":4},225.15896022799998,"?"]
[2944,"C=CC=CC#N","1615-70-9","C=CC=CC#N","C=CC=CC#N",{"$nulls":4},79.04219916,"?"]
[2945,"[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1","1622-61-3","O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1","O=C1Nc2c(C(=NC1)c3c(cccc3)Cl)cc([N+](=O)[O-])cc2",{"$nulls":4},315.0410688600003,"?"]
[2946,"CN(C)C1CSSC1","1631-58-9","CN(C)C1CSSC1","CN(C)C1CSSC1",{"$nulls":4},149.033291352,"?"]
[2947,"COC(C)(C)C","1634-04-4","COC(C)(C)C","COC(C)(C)C",{"$nulls":4},88.088815004,"?"]
[2948,"CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC","1634-78-2","CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC","CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC",{"$nulls":4},314.0589105780005,"?"]
[2949,"CCCCCCCS","1639-09-4","CCCCCCCS","CCCCCCCS",{"$nulls":4},132.097271512,"?"]
[2950,"CNC(=O)ON=CC(C)(C)S(C)=O","1646-87-3","CNC(=O)ON=CC(C)(C)S(C)=O","CNC(=O)ON=CC(C)(C)S(C)=O",{"$nulls":4},206.072513308,"?"]
[2951,"CNC(=O)ON=CC(C)(C)S(C)(=O)=O","1646-88-4","CNC(=O)ON=CC(C)(C)S(C)(=O)=O","CNC(=O)ON=CC(C)(C)S(C)(=O)=O",{"$nulls":4},222.067427928,"?"]
[2952,"FC(F)(Cl)CCl","1649-08-7","FC(F)(Cl)CCl","FC(F)(Cl)CCl",{"$nulls":4},133.950161864,"?"]
[2953,"CCCCCCCCCC(C)O","1653-30-1","CCCCCCCCCC(C)O","CCCCCCCCCC(C)O",{"$nulls":4},172.182715388,"?"]
[2954,"CC(C)CCCCCO","1653-40-3","CC(C)CCCCCO","CC(C)CCCCCO",{"$nulls":4},130.135765196,"?"]
[2955,"CC1=CN=C2C(C=CC3=C(C)C(C)=CN=C23)=C1C","1660-93-1","Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C","Cc1c(c2c(nc1)c3c(cc2)c(C)c(C)cn3)C",{"$nulls":4},236.131348512,"?"]
[2956,"CN(C)CCC=C1C2=C(COC3=C1C=CC=C3)C=CC=C2","1668-19-5","CN(C)CCC=C1c2ccccc2COc2ccccc21","CN(C)CCC=C1c2c(OCc3c1cccc3)cccc2",{"$nulls":4},279.1623142920006,"?"]
[2957,"CCC1CCCCC1","1678-91-7","CCC1CCCCC1","CCC1CCCCC1",{"$nulls":4},112.12520051199999,"?"]
[2958,"CC12OC1CC1CC2C1(C)C","1686-14-2","CC1(C)C2CC3OC3(C)C1C2","CC1(C2C3(C(CC1C2)O3)C)C",{"$nulls":4},152.120115132,"?"]
[2959,null,"1689-09-4",{"$nulls":7},""]
[2960,"OC1=CC=C(C=C1)N=NC1=CC=CC=C1","1689-82-3","Oc1ccc(N=Nc2ccccc2)cc1","Oc1ccc(cc1)N=Nc2ccccc2",{"$nulls":4},198.07931294,"?"]
[2961,"OC1=C(I)C=C(C=C1I)C#N","1689-83-4","N#Cc1cc(I)c(O)c(I)c1","N#Cc1cc(c(c(c1)I)O)I",{"$nulls":4},370.83040971600013,"?"]
[2962,"OC1=C(Br)C=C(C=C1Br)C#N","1689-84-5","N#Cc1cc(Br)c(O)c(Br)c1","N#Cc1cc(c(c(c1)Br)O)Br",{"$nulls":4},274.8581379160001,"?"]
[2963,"CCCCCCCC(=O)OC1=C(Br)C=C(C=C1Br)C#N","1689-99-2","CCCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br","CCCCCCCC(=O)Oc1c(cc(cc1Br)C#N)Br",{"$nulls":4},400.9626029840005,"?"]
[2964,"ClC1=C(Cl)C(=O)N(N=C1)C1=CC=CC=C1","1698-53-9","O=c1c(Cl)c(Cl)cnn1-c1ccccc1","O=c1n(ncc(c1Cl)Cl)-c2ccccc2",{"$nulls":4},239.985718172,"?"]
[2965,"NC1=C(Cl)C(=O)N(N=C1)C1=CC=CC=C1","1698-60-8","Nc1cnn(-c2ccccc2)c(=O)c1Cl","Nc1c(c(n(nc1)-c2ccccc2)=O)Cl",{"$nulls":4},221.035589556,"?"]
[2966,"OC(=O)C1=C(Cl)C=CC(Cl)=N1","1702-17-6","O=C(O)c1nc(Cl)ccc1Cl","O=C(O)c1c(ccc(n1)Cl)Cl",{"$nulls":4},190.954083696,"?"]
[2967,null,"1703-58-8",{"$nulls":7},""]
[2968,"CC1=CC2=C(C=CC3=CC=CC=C23)C2=CC=CC=C12","1705-85-7","Cc1cc2c3ccccc3ccc2c2ccccc12","Cc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2",{"$nulls":4},242.109550448,"?"]
[2969,null,"1708-33-4",{"$nulls":7},""]
[2970,"CC(C)O[N+]([O-])=O","1712-64-7","CC(C)O[N+](=O)[O-]","CC(C)O[N+](=O)[O-]",{"$nulls":4},105.042593084,"?"]
[2971,"CC(F)(Cl)Cl","1717-00-6","CC(F)(Cl)Cl","CC(F)(Cl)Cl",{"$nulls":4},115.959583676,"?"]
[2972,"CC1=CC=CC2=C1CC1=C2C=CC=C1","1730-37-6","Cc1cccc2c1Cc1ccccc1-2","Cc1c2c(ccc1)-c3c(C2)cccc3",{"$nulls":4},180.093900384,"?"]
[2973,"COC1=CC2=C(NC3=C(S2)C=CC(Cl)=C3)C=C1","1730-44-5","COc1ccc2c(c1)Sc1ccc(Cl)cc1N2","COc1cc2c(cc1)Nc3c(S2)ccc(Cl)c3",{"$nulls":4},263.0171626200002,"?"]
[2974,"CCCCCCCCC(=O)OC","1731-84-6","CCCCCCCCC(=O)OC","CCCCCCCCC(=O)OC",{"$nulls":4},172.14632988,"?"]
[2975,"C1CC2=CC=C3CCCC4=C3C2=C(C1)C=C4","1732-13-4","c1cc2c3c(ccc4c3c1CCC4)CCC2","c1c2c3c4c(c1)CCCc4ccc3CCC2",{"$nulls":4},208.125200512,"?"]
[2976,"CC(C)C1=CC2=C(C=C1)[C]1(C)CCC[C](C)([CH]1CC2)C(O)=O","1740-19-8","CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C","CC(C)c1cc2c(cc1)C3(C(CC2)C(C)(C(=O)O)CCC3)C",{"$nulls":4},300.2089301360008,"?"]
[2977,null,"1743-13-1",{"$nulls":7},""]
[2978,"ClC1=CC2=C(OC3=C(O2)C=C(Cl)C(Cl)=C3)C=C1Cl","1746-01-6","Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2","Clc1c(cc2c(c1)Oc3c(O2)cc(Cl)c(Cl)c3)Cl",{"$nulls":4},319.8965400880001,"?"]
[2979,"CON(C)C(=O)NC1=CC=C(Cl)C=C1","1746-81-2","CON(C)C(=O)Nc1ccc(Cl)cc1","CON(C)C(=O)Nc1ccc(cc1)Cl",{"$nulls":4},214.050905272,"?"]
[2980,"O=C(NC1=CC=CC=C1)C1=CN=CC=C1","1752-96-1","O=C(Nc1ccccc1)c1cccnc1","O=C(Nc1ccccc1)c2cnccc2",{"$nulls":4},198.07931294,"?"]
[2981,"NC1=CC2=C(SN=N2)C=C1","1753-29-3","Nc1ccc2snnc2c1","Nc1cc2c(cc1)snn2",{"$nulls":4},151.02041816,"?"]
[2982,"C[CH](NC(N)=N)C(O)=O","1758-74-3","CC(NC(=N)N)C(=O)O","CC(NC(=N)N)C(=O)O",{"$nulls":4},131.069476528,"?"]
[2983,"OC1=C(C=O)C=C(Br)C=C1","1761-61-1","O=Cc1cc(Br)ccc1O","O=Cc1c(ccc(c1)Br)O",{"$nulls":4},199.9472915,"?"]
[2984,"[NH4+].[S-]C#N","1762-95-4","N#C[S-]","N#CS","[NH4+]",{"$nulls":3},76.009519128,"Structure has been neutralized"]
[2985,"OCC1=C(Cl)C=C(Cl)C=C1","1777-82-8","OCc1ccc(Cl)cc1Cl","OCc1c(cc(cc1)Cl)Cl",{"$nulls":4},175.979570172,"?"]
[2986,"OP(=O)C1=CC=CC=C1","1779-48-2","O=[PH](O)c1ccccc1","O=P(O)c1ccccc1",{"$nulls":4},142.01836609400002,"?"]
[2987,"[O-][N+](=O)CCl","1794-84-9","O=[N+]([O-])CCl","O=[N+]([O-])CCl",{"$nulls":4},94.977405984,"?"]
[2988,"CC(C=NO)=NO","1804-15-5","CC(C=NO)=NO","CC(C=NO)=NO",{"$nulls":4},102.042927432,"?"]
[2989,"OCC1=CC(Cl)=C(Cl)C=C1","1805-32-9","OCc1ccc(Cl)c(Cl)c1","OCc1cc(c(cc1)Cl)Cl",{"$nulls":4},175.979570172,"?"]
[2990,"CCCCOP(=O)OCCCC","1809-19-4","CCCCO[PH](=O)OCCCC","CCCCOP(=O)OCCCC",{"$nulls":4},194.10718109799998,"?"]
[2991,null,"1824-09-5",{"$nulls":7},""]
[2992,"ClC1=CC=CC2=C(Cl)C=CC=C12","1825-30-5","Clc1cccc2c(Cl)cccc12","Clc1c2c(ccc1)c(Cl)ccc2",{"$nulls":4},195.984655552,"?"]
[2993,"ClC1=C2C=CC=CC2=C(Cl)C=C1","1825-31-6","Clc1ccc(Cl)c2ccccc12","Clc1c2c(c(cc1)Cl)cccc2",{"$nulls":4},195.984655552,"?"]
[2994,"OC(=O)C1=C(O)C(Cl)=CC=C1","1829-32-9","O=C(O)c1cccc(Cl)c1O","O=C(O)c1c(c(ccc1)Cl)O",{"$nulls":4},171.9927217,"?"]
[2995,null,"1830-32-6",{"$nulls":7},""]
[2996,"[O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1","1836-75-5","O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",{"$nulls":4},282.9802984440002,"?"]
[2997,"[O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2Cl)C=C1","1836-77-7","O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2Cl)Cl)Cl",{"$nulls":4},316.94132609200017,"?"]
[2998,"CCCC(O)C(C)CC","1838-73-9","CCCC(O)C(C)CC","CCCC(O)C(C)CC",{"$nulls":4},130.135765196,"?"]
[2999,"FC1=CC=C(C=C1)C(CCCN1CCC2(CC1)N(CNC2=O)C1=CC=CC=C1)C1=CC=C(F)C=C1","1841-19-6","O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2","O=C1C2(N(CN1)c3ccccc3)CCN(CC2)CCCC(c4ccc(cc4)F)c5ccc(cc5)F",{"$nulls":4},475.24351905200086,"?"]
[3000,null,"1846-76-0",{"$nulls":7},""]
[3001,"OC(=O)CCCCCCCCCC(O)=O","1852-04-6","O=C(O)CCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCC(=O)O",{"$nulls":4},216.13615912,"?"]
[3002,"COC(=O)C1=C(Cl)C(Cl)=C(C(=O)OC)C(Cl)=C1Cl","1861-32-1","COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl","COC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)OC)Cl)Cl",{"$nulls":4},329.90201939200017,"?"]
[3003,"CCCCN(CC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","1861-40-1","CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},335.1092906520004,"?"]
[3004,"CC(O)COCC1=C(Cl)C(Cl)=CC=C1Cl","1861-44-5","CC(O)COCc1c(Cl)ccc(Cl)c1Cl","CC(O)COCc1c(c(ccc1Cl)Cl)Cl",{"$nulls":4},267.9824626320003,"?"]
[3005,"CNC1(CCCCC1=O)C1=C(Cl)C=CC=C1","1867-66-9","CNC1(c2ccccc2Cl)CCCCC1=O","CNC1(C(CCCC1)=O)c2c(cccc2)Cl",{"$nulls":4},237.092041812,"?"]
[3006,"CC1=C(Cl)C(C)=C(CC2=CC=CC=C2)C(O)=C1","1867-85-2","Cc1cc(O)c(Cc2ccccc2)c(C)c1Cl","Cc1c(c(c(c(c1)O)Cc2ccccc2)C)Cl",{"$nulls":4},246.08114278,"?"]
[3007,null,"1871-89-2",{"$nulls":7},""]
[3008,"NC1=C2N=CN(C2=NC=N1)[C]1(CO)O[CH](CO)[CH](O)[CH]1O","1874-54-0","Nc1ncnc2c1ncn2C1(CO)OC(CO)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3(C(C(C(O3)CO)O)O)CO",{"$nulls":4},297.10731858000037,"?"]
[3009,"CC1=C(OCC(O)=O)C=CC=C1","1878-49-5","Cc1ccccc1OCC(=O)O","Cc1c(cccc1)OCC(=O)O",{"$nulls":4},166.06299418,"?"]
[3010,null,"1878-56-4",{"$nulls":7},""]
[3011,"OC(=O)COC1=C(C=CC=C1)[N+]([O-])=O","1878-87-1","O=C(O)COc1ccccc1[N+](=O)[O-]","O=C(O)COc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},197.03242232399998,"?"]
[3012,null,"1886-75-5",{"$nulls":7},""]
[3013,"ClC(Cl)=C(Cl)C(Cl)(Cl)Cl","1888-71-7","ClC(Cl)=C(Cl)C(Cl)(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)(Cl)Cl",{"$nulls":4},245.81311608,"?"]
[3014,"ClC1=C(Cl)C(C#N)=C(Cl)C(C#N)=C1Cl","1897-45-6","N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl","N#Cc1c(c(c(c(c1Cl)Cl)Cl)C#N)Cl",{"$nulls":4},263.88155872,"?"]
[3015,"BrC1=CC=C(O1)C=O","1899-24-7","O=Cc1ccc(Br)o1","O=Cc1oc(cc1)Br",{"$nulls":4},173.931641436,"?"]
[3016,null,"1899-94-1",{"$nulls":7},""]
[3017,null,"1904-64-9",{"$nulls":7},""]
[3018,"[Cl-].[Cl-].C[N+]1=CC=C(C=C1)C1=CC=[N+](C)C=C1","1910-42-5","C[n+]1ccc(-c2cc[n+](C)cc2)cc1","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","[Cl-]","[Cl-]",null,null,256.053403808,"?"]
[3019,"CCNC1=NC(NC(C)C)=NC(Cl)=N1","1912-24-9","CCNc1nc(Cl)nc(NC(C)C)n1","CCNc1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},215.09377312799998,"?"]
[3020,"CCN(CC)C1=NC(NC(C)C)=NC(Cl)=N1","1912-25-0","CCN(CC)c1nc(Cl)nc(NC(C)C)n1","CCN(CC)c1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},243.12507325599998,"?"]
[3021,"CCNC1=NC(Cl)=NC(=N1)N(CC)CC","1912-26-1","CCNc1nc(Cl)nc(N(CC)CC)n1","CCNc1nc(nc(n1)Cl)N(CC)CC",{"$nulls":4},229.10942319199998,"?"]
[3022,"CC1=CC=C(O1)C(O)=O","1917-15-3","Cc1ccc(C(=O)O)o1","Cc1oc(cc1)C(=O)O",{"$nulls":4},126.031694052,"?"]
[3023,"COCC1=CC=C(O1)C=O","1917-64-2","COCc1ccc(C=O)o1","COCc1oc(cc1)C=O",{"$nulls":4},140.047344116,"?"]
[3024,"COC1=C(Cl)C=CC(Cl)=C1C(O)=O","1918-00-9","COc1c(Cl)ccc(Cl)c1C(=O)O","COc1c(c(ccc1Cl)Cl)C(=O)O",{"$nulls":4},219.969399412,"?"]
[3025,"NC1=C(Cl)C(Cl)=NC(C(O)=O)=C1Cl","1918-02-1","Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl","Nc1c(c(nc(c1Cl)Cl)C(=O)O)Cl",{"$nulls":4},239.926010376,"?"]
[3026,"CCCN(CCC)C1=C(C=C(C)C=C1[N+]([O-])=O)[N+]([O-])=O","1918-08-7","CCCN(CCC)c1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C)[N+](=O)[O-]",{"$nulls":4},281.1375560880005,"?"]
[3027,"CNC(=O)OC1=C(C=C(C)C=C1C(C)(C)C)C(C)(C)C","1918-11-2","CNC(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C","CNC(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C",{"$nulls":4},277.2041791040006,"?"]
[3028,"NC(=S)C1=C(Cl)C=CC=C1Cl","1918-13-4","NC(=S)c1c(Cl)cccc1Cl","NC(=S)c1c(cccc1Cl)Cl",{"$nulls":4},204.95197552,"?"]
[3029,"CC(C)N(C(=O)CCl)C1=CC=CC=C1","1918-16-7","CC(C)N(C(=O)CCl)c1ccccc1","CC(C)N(C(=O)CCl)c1ccccc1",{"$nulls":4},211.076391748,"?"]
[3030,"N[CH](CCO)C(O)=O","1927-25-9","NC(CCO)C(=O)O","NC(CCO)C(=O)O",{"$nulls":4},119.058243148,"?"]
[3031,"OC1=CC2=C(NC3=CC=CC=C3S2)C=C1","1927-44-2","Oc1ccc2c(c1)Sc1ccccc1N2","Oc1cc2c(cc1)Nc3c(S2)cccc3",{"$nulls":4},215.040484908,"?"]
[3032,null,"1928-38-7",{"$nulls":7},""]
[3033,null,"1928-39-8",{"$nulls":7},""]
[3034,null,"1928-44-5",{"$nulls":7},""]
[3035,null,"1928-61-6",{"$nulls":7},""]
[3036,null,"1929-29-9",{"$nulls":7},""]
[3037,"CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1","1929-73-3","CCCCOCCOC(=O)COc1ccc(Cl)cc1Cl","CCCCOCCOC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},320.0582144160005,"?"]
[3038,"CCCSC(=O)N(CCC)CCC","1929-77-7","CCCSC(=O)N(CCC)CCC","CCCSC(=O)N(CCC)CCC",{"$nulls":4},203.134385292,"?"]
[3039,"ClC1=CC=CC(=N1)C(Cl)(Cl)Cl","1929-82-4","Clc1cccc(C(Cl)(Cl)Cl)n1","Clc1nc(ccc1)C(Cl)(Cl)Cl",{"$nulls":4},228.901959816,"?"]
[3040,"CNC(=O)NC1=NC2=CC=CC=C2S1","1929-88-0","CNC(=O)Nc1nc2ccccc2s1","CNC(=O)Nc1sc2c(n1)cccc2",{"$nulls":4},207.046632908,"?"]
[3041,"C(CN1CCCCC1)N1CCCCC1","1932-04-3","C1CCN(CCN2CCCCC2)CC1","C1CCN(CC1)CCN2CCCCC2",{"$nulls":4},196.19394876799998,"?"]
[3042,"[O-][N+](=O)C(Cl)([N+]([O-])=O)[N+]([O-])=O","1943-16-4","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},184.9475624,"Errors in neutralization"]
[3043,null,"1946-00-5",{"$nulls":7},""]
[3044,"CCCSS(=O)CCC","1948-52-3","CCCSS(=O)CCC","CCCSS(=O)CCC",{"$nulls":4},166.048607068,"?"]
[3045,"COC1=C(C=CC=C1C(O)=O)C(O)=O","1951-38-8","COc1c(C(=O)O)cccc1C(=O)O","COc1c(cccc1C(=O)O)C(=O)O",{"$nulls":4},196.037173356,"?"]
[3046,"CCC(=O)OC1=CC=C(C=C1)[N+]([O-])=O","1956-06-5","CCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},195.053157768,"?"]
[3047,"CCCCC(=O)OC1=CC=C(C=C1)[N+]([O-])=O","1956-07-6","CCCCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},223.084457896,"?"]
[3048,null,"1962-75-0",{"$nulls":7},""]
[3049,"CC(C)[CH](N=C(O)CN)C(O)=O","1963-21-9","CC(C)C(N=C(O)CN)C(=O)O","CC(C)C(N=C(O)CN)C(=O)O",{"$nulls":4},174.100442308,"?"]
[3050,"OCCN=C(O)CCCCC(O)=NCCO","1964-73-4","OCCN=C(O)CCCCC(O)=NCCO","OCCN=C(O)CCCCC(O)=NCCO",{"$nulls":4},232.14230712,"?"]
[3051,"CNC(=O)OCC1=CC(Cl)=C(Cl)C=C1","1966-58-1","CNC(=O)OCc1ccc(Cl)c(Cl)c1","CNC(=O)OCc1cc(c(cc1)Cl)Cl",{"$nulls":4},233.001033888,"?"]
[3052,"CC(OC(=O)NC1=CC(Cl)=CC=C1)C#C","1967-16-4","C#CC(C)OC(=O)Nc1cccc(Cl)c1","C#CC(C)OC(=O)Nc1cc(ccc1)Cl",{"$nulls":4},223.04000624,"?"]
[3053,"NC(=O)NC1=CC=C(Br)C=C1","1967-25-5","NC(=O)Nc1ccc(Br)cc1","NC(=O)Nc1ccc(cc1)Br",{"$nulls":4},213.974174944,"?"]
[3054,null,"1972-03-8",{"$nulls":7},""]
[3055,"CCC1=CC=CC=C1Br","1973-22-4","CCc1ccccc1Br","CCc1c(cccc1)Br",{"$nulls":4},183.988762388,"?"]
[3056,"CN(C)C(=O)NC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1","1982-47-4","CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1","CN(C)C(=O)Nc1ccc(cc1)Oc2ccc(cc2)Cl",{"$nulls":4},290.0822054000004,"?"]
[3057,"CC1CCCCC1NC(=O)NC1=CC=CC=C1","1982-49-6","CC1CCCCC1NC(=O)Nc1ccccc1","CC1C(CCCC1)NC(=O)Nc2ccccc2",{"$nulls":4},232.15756326,"?"]
[3058,"CCCC[Sn](F)(CCCC)CCCC","1983-10-4","CCCC[Sn](F)(CCCC)CCCC","CCCC[Sn](F)(CCCC)CCCC",{"$nulls":4},310.11187378400075,"?"]
[3059,"COC1=C(Cl)C(Cl)=CC=C1","1984-59-4","COc1cccc(Cl)c1Cl","COc1c(c(ccc1)Cl)Cl",{"$nulls":4},175.979570172,"?"]
[3060,"COC1=C(Cl)C=CC=C1Cl","1984-65-2","COc1c(Cl)cccc1Cl","COc1c(cccc1Cl)Cl",{"$nulls":4},175.979570172,"?"]
[3061,null,"2000-40-0",{"$nulls":7},""]
[3062,"OC(=N)C=CC1=CC=CC=C1N(=O)=O","2001-33-4","N=C(O)C=Cc1ccccc1[N+](=O)[O-]","N=C(O)C=Cc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},192.053492116,"?"]
[3063,"CC1=C2NC=NC2=NC=N1","2004-03-7","Cc1ncnc2nc[nH]c12","Cc1c2c(ncn1)nc[nH]2",{"$nulls":4},134.059246192,"?"]
[3064,"CCSC(=O)N(CC(C)C)CC(C)C","2008-41-5","CCSC(=O)N(CC(C)C)CC(C)C","CCSC(=O)N(CC(C)C)CC(C)C",{"$nulls":4},217.150035356,"?"]
[3065,"NC(=O)C1=C(Cl)C=CC=C1Cl","2008-58-4","NC(=O)c1c(Cl)cccc1Cl","NC(=O)c1c(cccc1Cl)Cl",{"$nulls":4},188.97481914,"?"]
[3066,"SC1=NCC(=O)N1C1=CC=CC=C1","2010-15-3","O=C1CN=C(S)N1c1ccccc1","O=C1N(C(=NC1)S)c2ccccc2",{"$nulls":4},192.035733876,"?"]
[3067,"CCCCCCCCCCN","2016-57-1","CCCCCCCCCCN","CCCCCCCCCCN",{"$nulls":4},157.183049736,"?"]
[3068,"CCOC(=O)CCC1=CC=CC=C1","2021-28-5","CCOC(=O)CCc1ccccc1","CCOC(=O)CCc1ccccc1",{"$nulls":4},178.099379688,"?"]
[3069,"NC1=NC(=O)NC=C1F","2022-85-7","Nc1nc(=O)[nH]cc1F","Nc1c(c[nH]c(n1)=O)F",{"$nulls":4},129.033839968,"?"]
[3070,"CNC(=O)OC1=CC(C)=C(C=C1)N(C)C","2032-59-9","CNC(=O)Oc1ccc(N(C)C)c(C)c1","CNC(=O)Oc1cc(c(cc1)N(C)C)C",{"$nulls":4},208.121177752,"?"]
[3071,"CNC(=O)OC1=CC(C)=C(SC)C(C)=C1","2032-65-7","CNC(=O)Oc1cc(C)c(SC)c(C)c1","CNC(=O)Oc1cc(c(c(c1)C)SC)C",{"$nulls":4},225.08234972,"?"]
[3072,"CCCC1CCCC1","2040-96-2","CCCC1CCCC1","CCCC1CCCC1",{"$nulls":4},112.12520051199999,"?"]
[3073,null,"2043-43-8",{"$nulls":7},""]
[3074,null,"2044-88-4",{"$nulls":7},""]
[3075,"CCC(C)(C)C1=CC=CC=C1","2049-95-8","CCC(C)(C)c1ccccc1","CCC(C)(C)c1ccccc1",{"$nulls":4},148.125200512,"?"]
[3076,"CCOC(=O)CCCCCC(=O)OCC","2050-20-6","CCOC(=O)CCCCCC(=O)OCC","CCOC(=O)CCCCCC(=O)OCC",{"$nulls":4},216.13615912,"?"]
[3077,"CCOC(=O)CCCCCCC(=O)OCC","2050-23-9","CCOC(=O)CCCCCCC(=O)OCC","CCOC(=O)CCCCCCC(=O)OCC",{"$nulls":4},230.151809184,"?"]
[3078,"ClC1=CC=CC(=C1)C1=CC(Cl)=CC=C1","2050-67-1","Clc1cccc(-c2cccc(Cl)c2)c1","Clc1cc(ccc1)-c2cc(ccc2)Cl",{"$nulls":4},222.000305616,"?"]
[3079,"ClC1=CC=C(C=C1)C1=CC=C(Cl)C=C1","2050-68-2","Clc1ccc(-c2ccc(Cl)cc2)cc1","Clc1ccc(cc1)-c2ccc(cc2)Cl",{"$nulls":4},222.000305616,"?"]
[3080,"ClC1=CC=C2C=CC=CC2=C1Cl","2050-69-3","Clc1ccc2ccccc2c1Cl","Clc1c(c2c(cc1)cccc2)Cl",{"$nulls":4},195.984655552,"?"]
[3081,"ClC1=CC=CC2=CC=CC(Cl)=C12","2050-74-0","Clc1cccc2cccc(Cl)c12","Clc1c2c(ccc1)cccc2Cl",{"$nulls":4},195.984655552,"?"]
[3082,"ClC1=C(Cl)C=C2C=CC=CC2=C1","2050-75-1","Clc1cc2ccccc2cc1Cl","Clc1c(cc2c(c1)cccc2)Cl",{"$nulls":4},195.984655552,"?"]
[3083,"ClC1=C(Cl)C(Cl)=C(C(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","2051-24-3","Clc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},493.6885268,"?"]
[3084,"ClC1=C(C=CC=C1)C1=CC=CC=C1","2051-60-7","Clc1ccccc1-c1ccccc1","Clc1c(cccc1)-c2ccccc2",{"$nulls":4},188.039277968,"?"]
[3085,"ClC1=CC=CC(=C1)C1=CC=CC=C1","2051-61-8","Clc1cccc(-c2ccccc2)c1","Clc1cc(ccc1)-c2ccccc2",{"$nulls":4},188.039277968,"?"]
[3086,"ClC1=CC=C(C=C1)C1=CC=CC=C1","2051-62-9","Clc1ccc(-c2ccccc2)cc1","Clc1ccc(cc1)-c2ccccc2",{"$nulls":4},188.039277968,"?"]
[3087,"OC1=CC(O)=C(C=C1)N=NC1=CC=CC=C1","2051-85-6","Oc1ccc(N=Nc2ccccc2)c(O)c1","Oc1cc(c(cc1)N=Nc2ccccc2)O",{"$nulls":4},214.07422756,"?"]
[3088,"ClC1=CC2=CC=C(Cl)C=C2C=C1","2065-70-5","Clc1ccc2cc(Cl)ccc2c1","Clc1cc2c(cc1)cc(Cl)cc2",{"$nulls":4},195.984655552,"?"]
[3089,null,"2076-53-1",{"$nulls":7},""]
[3090,null,"2076-57-5",{"$nulls":7},""]
[3091,"CC(C)CC(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1","2081-32-5","CC(C)CC(c1ccc(O)cc1)c1ccc(O)cc1","CC(C)CC(c1ccc(cc1)O)c2ccc(cc2)O",{"$nulls":4},256.14632988,"?"]
[3092,null,"2084-13-1",{"$nulls":7},""]
[3093,null,"2085-15-6",{"$nulls":7},""]
[3094,null,"2103-16-4",{"$nulls":7},""]
[3095,null,"2103-31-3",{"$nulls":7},""]
[3096,"CCOP(=S)(OC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1","2104-64-5","CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1","CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2",{"$nulls":4},323.0381155580004,"?"]
[3097,"COP(=S)(OC)OC1=C(Cl)C=C(Br)C(Cl)=C1","2104-96-3","COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Br)Cl",{"$nulls":4},363.8492192060002,"?"]
[3098,null,"2107-75-7",{"$nulls":7},""]
[3099,"CC(CC(C)C(O)=O)C(O)=O","2121-67-7","CC(CC(C)C(=O)O)C(=O)O","CC(CC(C)C(=O)O)C(=O)O",{"$nulls":4},160.073558864,"?"]
[3100,null,"2127-01-7",{"$nulls":7},""]
[3101,"CC1=CC=C(C)C2=C(C)C=CC=C12","2131-41-1","Cc1ccc(C)c2c(C)cccc12","Cc1c2c(c(cc1)C)c(C)ccc2",{"$nulls":4},170.109550448,"?"]
[3102,"BrC1=CC=CC(=C1)N=C=S","2131-59-1","S=C=Nc1cccc(Br)c1","S=C=Nc1cc(ccc1)Br",{"$nulls":4},212.924782228,"?"]
[3103,"C[CH]1C[CH]2[CH]3C[CH](F)C4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]2(C)[C]1(O)C(=O)CO","2135-17-3","CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",{"$nulls":4},410.1904804360007,"?"]
[3104,"ClC1=CC(Cl)=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","2136-99-4","Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[3105,"OC1=CC(O)=C(C=C1)C1CCCCC1","2138-20-7","Oc1ccc(C2CCCCC2)c(O)c1","Oc1cc(c(cc1)C2CCCCC2)O",{"$nulls":4},192.115029752,"?"]
[3106,null,"2152-44-5",{"$nulls":7},""]
[3107,null,"2157-19-9",{"$nulls":7},""]
[3108,"OC(=O)C1=CC(=CC(Cl)=C1)C(O)=O","2157-39-3","O=C(O)c1cc(Cl)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)Cl)C(=O)O",{"$nulls":4},199.98763632,"?"]
[3109,"OC(=O)C1=CC=CC=C1C(=O)C1=CC=C(Br)C=C1","2159-40-2","O=C(O)c1ccccc1C(=O)c1ccc(Br)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Br",{"$nulls":4},303.97350624800026,"?"]
[3110,null,"2163-68-0",{"$nulls":7},""]
[3111,"CN(C)C(=O)NC1CCCCCCC1","2163-69-1","CN(C)C(=O)NC1CCCCCCC1","CN(C)C(=O)NC1CCCCCCC1",{"$nulls":4},198.173213324,"?"]
[3112,"[Na+].C[As](O)([O-])=O","2163-80-6","C[As](=O)([O-])O","C[As](=O)(O)O","[Na+]",{"$nulls":3},161.927409768,"Structure has been neutralized"]
[3113,"O=C1NC2=C(CCC2)C(=O)N1C1CCCCC1","2164-08-1","O=c1[nH]c2c(c(=O)n1C1CCCCC1)CCC2","O=c1n(c(c2c([nH]1)CCC2)=O)C3CCCCC3",{"$nulls":4},234.136827816,"?"]
[3114,"CC(=C)C(=O)NC1=CC=C(Cl)C(Cl)=C1","2164-09-2","C=C(C)C(=O)Nc1ccc(Cl)c(Cl)c1","C=C(C)C(=O)Nc1cc(c(cc1)Cl)Cl",{"$nulls":4},229.006119268,"?"]
[3115,"CCC(C)OC(=O)NC1=CC=CC(Cl)=C1","2164-13-8","CCC(C)OC(=O)Nc1cccc(Cl)c1","CCC(C)OC(=O)Nc1cc(ccc1)Cl","BCPC",{"$nulls":3},301.116973654,"?"]
[3116,"CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F","2164-17-2","CN(C)C(=O)Nc1cccc(C(F)(F)F)c1","CN(C)C(=O)Nc1cc(ccc1)C(F)(F)F",{"$nulls":4},232.082347632,"?"]
[3117,null,"2168-88-9",{"$nulls":7},""]
[3118,"CC(C)COC1=CC2=CC=CC=C2C=C1","2173-57-1","CC(C)COc1ccc2ccccc2c1","CC(C)COc1cc2c(cc1)cccc2",{"$nulls":4},200.120115132,"?"]
[3119,"CCCCN1CCCCC1C(=O)NC1=C(C)C=CC=C1C","2180-92-9","CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C","CCCCN1C(CCCC1)C(=O)Nc2c(cccc2C)C",{"$nulls":4},288.22016351600075,"?"]
[3120,null,"2181-22-8",{"$nulls":7},""]
[3121,"CCCCCCCCC1=CC=CC=C1","2189-60-8","CCCCCCCCc1ccccc1","CCCCCCCCc1ccccc1",{"$nulls":4},190.172150704,"?"]
[3122,"ClC1=CC2=CC(Cl)=CC=C2C=C1","2198-77-8","Clc1ccc2ccc(Cl)cc2c1","Clc1cc2c(cc1)ccc(Cl)c2",{"$nulls":4},195.984655552,"?"]
[3123,null,"2199-44-2",{"$nulls":7},""]
[3124,"COC1=C(C=C(C=C1)C(O)=O)C(O)=O","2206-43-1","COc1ccc(C(=O)O)cc1C(=O)O","COc1c(cc(cc1)C(=O)O)C(=O)O",{"$nulls":4},196.037173356,"?"]
[3125,"C[CH]1CCCC[CH]1C","2207-01-4","CC1CCCCC1C","CC1C(CCCC1)C",{"$nulls":4},112.12520051199999,"?"]
[3126,null,"2207-04-7",{"$nulls":7},""]
[3127,null,"2211-67-8",{"$nulls":7},""]
[3128,"CCSC(=O)N1CCCCCC1","2212-67-1","CCSC(=O)N1CCCCCC1","CCSC(=O)N1CCCCCC1",{"$nulls":4},187.103085164,"?"]
[3129,"OC(=O)C1=CC=CC2=C1C(=CC=C2)[N+]([O-])=O","2216-13-9","O=C(O)c1cccc2cccc([N+](=O)[O-])c12","O=C(O)c1c2c(ccc1)cccc2[N+](=O)[O-]",{"$nulls":4},217.037507704,"?"]
[3130,"CCCCC(C)CCC","2216-34-4","CCCCC(C)CCC","CCCCC(C)CCC",{"$nulls":4},128.15650064,"?"]
[3131,"CC(C)[CH]1CC[CH](C)C[CH]1O","2216-51-5","CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O",{"$nulls":4},156.15141526,"?"]
[3132,"COC1=C2C=CC=CC2=CC=C1","2216-69-5","COc1cccc2ccccc12","COc1c2c(ccc1)cccc2",{"$nulls":4},158.07316494,"?"]
[3133,null,"2217-02-9",{"$nulls":7},""]
[3134,null,"2217-08-5",{"$nulls":7},""]
[3135,null,"2217-32-5",{"$nulls":7},""]
[3136,"CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC","2217-59-6","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC",{"$nulls":4},256.08030112,"?"]
[3137,"ClC1=CC=C(SC2=CC(Cl)=C(Cl)C=C2Cl)C=C1","2227-13-6","Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1","Clc1ccc(cc1)Sc2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},321.89443191200013,"?"]
[3138,"ClC1=C(Cl)C(Cl)(C(Cl)=C1Cl)C1(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","2227-17-0","ClC1=C(Cl)C(Cl)(C2(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl)C(Cl)=C1Cl","ClC=1C(=C(C(C1Cl)(Cl)C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},469.6885268,"?"]
[3139,"ON=C1CCCC=C1","2229-00-7","ON=C1C=CCCC1","ON=C1CCCC=C1",{"$nulls":4},111.068413908,"?"]
[3140,"ClC1=C(Cl)C2=C(Cl)C(Cl)=C(Cl)C(Cl)=C2C(Cl)=C1Cl","2234-13-1","Clc1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl","Clc1c(c2c(c(c1Cl)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl",{"$nulls":4},399.75082144,"?"]
[3141,null,"2235-90-7",{"$nulls":7},""]
[3142,"NC1=CC=CC(=C1)C#N","2237-30-1","N#Cc1cccc(N)c1","N#Cc1cc(ccc1)N",{"$nulls":4},118.053098192,"?"]
[3143,"CCCCCCCCC#N","2243-27-8","CCCCCCCCC#N","CCCCCCCCC#N",{"$nulls":4},139.136099544,"?"]
[3144,"NC1=CC=CC2=C(N)C=CC=C12","2243-62-1","Nc1cccc2c(N)cccc12","Nc1c2c(ccc1)c(N)ccc2",{"$nulls":4},158.08439832,"?"]
[3145,"[O-][N+](=O)C1=CC=CC2=C(C=CC(=C12)[N+]([O-])=O)[N+]([O-])=O","2243-95-0","O=[N+]([O-])c1ccc([N+](=O)[O-])c2c([N+](=O)[O-])cccc12","O=[N+]([O-])c1c2c(c(cc1)[N+](=O)[O-])c([N+](=O)[O-])ccc2",{"$nulls":4},263.0178348800001,"?"]
[3146,"CC(=C)[CH]1CC=C(C)C(=O)C1","2244-16-8","C=C(C)C1CC=C(C)C(=O)C1","C=C(C)C1CC(C(=CC1)C)=O",{"$nulls":4},150.104465068,"?"]
[3147,null,"2257-09-2",{"$nulls":7},""]
[3148,"OC(=O)C(Cl)=C(Cl)Cl","2257-35-4","O=C(O)C(Cl)=C(Cl)Cl","O=C(O)C(Cl)=C(Cl)Cl",{"$nulls":4},173.904212312,"?"]
[3149,null,"2268-12-4",{"$nulls":7},""]
[3150,"OC(=O)CCCCC1=CC=CC=C1","2270-20-4","O=C(O)CCCCc1ccccc1","O=C(O)CCCCc1ccccc1",{"$nulls":4},178.099379688,"?"]
[3151,"CN1C=NC2=C1C(Cl)=NC(Cl)=N2","2273-93-0","Cn1cnc2nc(Cl)nc(Cl)c21","Cn1c2c(nc1)nc(Cl)nc2Cl",{"$nulls":4},201.98130148799999,"?"]
[3152,null,"2274-67-1",{"$nulls":7},""]
[3153,"CCOP(=S)(OCC)SCC(=O)NC(C)C","2275-18-5","CCOP(=S)(OCC)SCC(=O)NC(C)C","CCOP(=S)(OCC)SCC(=O)NC(C)C",{"$nulls":4},285.0622221300006,"?"]
[3154,"CNC(=O)C(C)SCCSP(=O)(OC)OC","2275-23-2","CNC(=O)C(C)SCCSP(=O)(OC)OC","CNC(=O)C(C)SCCSP(=O)(OC)OC",{"$nulls":4},287.0414866860005,"?"]
[3155,null,"2276-96-2",{"$nulls":7},""]
[3156,null,"2279-63-2",{"$nulls":7},""]
[3157,"OC(=O)C1=C2C=CC=CC2=CC=C1O","2283-08-1","O=C(O)c1c(O)ccc2ccccc12","O=C(O)c1c2c(ccc1O)cccc2",{"$nulls":4},188.047344116,"?"]
[3158,"OC(=O)C1=CC2=CC=CC=C2C(=O)O1","2289-03-4","O=C(O)c1cc2ccccc2c(=O)o1","O=C(O)c1oc(c2c(c1)cccc2)=O",{"$nulls":4},190.026608672,"?"]
[3159,"CC(C)N(C(C)C)C(=O)SCC(Cl)=CCl","2303-16-4","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C",{"$nulls":4},269.04079052400033,"?"]
[3160,"CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl","2303-17-5","CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C","CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C",{"$nulls":4},303.0018181720004,"?"]
[3161,null,"2303-25-5",{"$nulls":7},""]
[3162,"OC(=O)[CH]1CCCC[CH]1C(O)=O","2305-32-0","O=C(O)C1CCCCC1C(=O)O","O=C(O)C1C(CCCC1)C(=O)O",{"$nulls":4},172.073558864,"?"]
[3163,"CCCC(C)C(=O)NC1=CC=C(C)C(Cl)=C1","2307-68-8","CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1","CCCC(C)C(=O)Nc1cc(c(cc1)C)Cl",{"$nulls":4},239.107691876,"?"]
[3164,"O=C1NC2=C(NC=N2)C=N1","2308-57-8","O=c1ncc2[nH]cnc2[nH]1","O=c1[nH]c2c(cn1)[nH]cn2",{"$nulls":4},136.038510748,"?"]
[3165,null,"2309-49-1",{"$nulls":7},""]
[3166,"CCOP(=S)(OCC)SCN1C(=O)OC2=CC(Cl)=CC=C12","2310-17-0","CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2",{"$nulls":4},366.9868642700004,"?"]
[3167,"CC(C)(C)C1=CC=C(OC2CCCCC2OS(=O)OCC#C)C=C1","2312-35-8","C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1","C#CCOS(=O)OC1C(CCCC1)Oc2ccc(cc2)C(C)(C)C",{"$nulls":4},350.1551803120007,"?"]
[3168,"CCCCOC(=O)C1(O)C2=C(C=CC=C2)C2=C1C=CC=C2","2314-09-2","CCCCOC(=O)C1(O)c2ccccc2-c2ccccc21","CCCCOC(=O)C1(c2c(-c3c1cccc3)cccc2)O",{"$nulls":4},282.1255944360005,"?"]
[3169,null,"2315-36-8",{"$nulls":7},""]
[3170,"CCCOC(=O)C1=CC=CC=C1","2315-68-6","CCCOC(=O)c1ccccc1","CCCOC(=O)c1ccccc1",{"$nulls":4},164.083729624,"?"]
[3171,"OCC1=C(O)C=CC(Br)=C1","2316-64-5","OCc1cc(Br)ccc1O","OCc1c(ccc(c1)Br)O",{"$nulls":4},201.962941564,"?"]
[3172,null,"2338-45-6",{"$nulls":7},""]
[3173,null,"2350-32-5",{"$nulls":7},""]
[3174,"NNC(=O)C1=CC=CS1","2361-27-5","NNC(=O)c1cccs1","NNC(=O)c1sccc1",{"$nulls":4},142.020083812,"?"]
[3175,"CCOC(=O)[CH](CC1=CC=CC=C1)N=C(C)O","2361-96-8","CCOC(=O)C(Cc1ccccc1)N=C(C)O","CCOC(=O)C(Cc1ccccc1)N=C(C)O",{"$nulls":4},235.120843404,"?"]
[3176,"C[C]12CC[CH]3[CH](CC[CH]4C[CH]5S[CH]5C[C]34C)[CH]1CC[CH]2O","2363-58-8","CC12CCC3C(CCC4CC5SC5CC43C)C1CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC5C(S5)C4)C)CCC2O",{"$nulls":4},306.20173658000084,"?"]
[3177,"FC1=CC(F)=C(F)C(F)=C1","2367-82-0","Fc1cc(F)c(F)c(F)c1","Fc1cc(c(c(c1)F)F)F",{"$nulls":4},150.009262944,"?"]
[3178,"CCCC(C)(C)CO","2370-12-9","CCCC(C)(C)CO","CCCC(C)(C)CO",{"$nulls":4},116.120115132,"?"]
[3179,"CC1=CC(=O)OC2=C1C=C(O)C=C2","2373-31-1","Cc1cc(=O)oc2ccc(O)cc12","Cc1c2c(oc(c1)=O)ccc(O)c2",{"$nulls":4},176.047344116,"?"]
[3180,null,"2373-80-0",{"$nulls":7},""]
[3181,null,"2373-84-4",{"$nulls":7},""]
[3182,null,"2381-15-9",{"$nulls":7},""]
[3183,"CC1=CC2=C(C=C1)C=C1C(C=CC3=CC=CC=C13)=C2","2381-16-0","Cc1ccc2cc3c(ccc4ccccc43)cc2c1","Cc1cc2c(cc1)cc3c4c(ccc3c2)cccc4",{"$nulls":4},242.109550448,"?"]
[3184,"CC1=C2C=CC3=C4C(C=CC(C5=CC=CC=C15)=C24)=CC=C3","2381-39-7","Cc1c2ccccc2c2ccc3cccc4ccc1c2c43","Cc1c2ccc3cccc4ccc(c5c1cccc5)c2c43",{"$nulls":4},266.1095504480003,"?"]
[3185,null,"2382-80-1",{"$nulls":7},""]
[3186,"SC1=NC2=CC=CC=C2O1","2382-96-9","Sc1nc2ccccc2o1","Sc1oc2c(n1)cccc2",{"$nulls":4},151.00918478,"?"]
[3187,null,"2385-74-2",{"$nulls":7},""]
[3188,"ClC12C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl","2385-85-5","ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","ClC1(C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},539.62623216,"?"]
[3189,"ClC1=CC=CC(=C1)N=C=S","2392-68-9","S=C=Nc1cccc(Cl)c1","S=C=Nc1cc(ccc1)Cl",{"$nulls":4},168.975297808,"?"]
[3190,"C=CCCCC=C","2396-63-6","C=CCCCC=C","C=CCCCC=C",{"$nulls":4},96.093900384,"?"]
[3191,"C#CCCCCCC#C","2396-65-8","C#CCCCCCC#C","C#CCCCCCC#C",{"$nulls":4},120.093900384,"?"]
[3192,null,"2398-81-4",{"$nulls":7},""]
[3193,"CCCCOP(=O)(CC)OCCCC","2404-58-2","CCCCOP(=O)(CC)OCCCC","CCCCOP(=O)(CC)OCCCC",{"$nulls":4},222.138481226,"?"]
[3194,"CCCCOP(C)(=O)OCCCC","2404-73-1","CCCCOP(C)(=O)OCCCC","CCCCOP(C)(=O)OCCCC",{"$nulls":4},208.12283116199998,"?"]
[3195,"CC1=CC=C(C)C(O)=C1C","2416-94-6","Cc1ccc(C)c(O)c1C","Cc1c(c(c(cc1)C)O)C",{"$nulls":4},136.088815004,"?"]
[3196,"OC1=CC=CC=C1OC1=CC=CC=C1","2417-10-9","Oc1ccccc1Oc1ccccc1","Oc1c(cccc1)Oc2ccccc2",{"$nulls":4},186.06807956,"?"]
[3197,null,"2421-02-5",{"$nulls":7},""]
[3198,"CC1=C2C(C=CC3=CC=CC=C23)=CC2=CC=CC=C12","2422-79-9","Cc1c2ccccc2cc2ccc3ccccc3c12","Cc1c2c(cc3c1cccc3)ccc4c2cccc4",{"$nulls":4},242.109550448,"?"]
[3199,"ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O","2425-06-1","O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)C(Cl)Cl",{"$nulls":4},346.91081024800025,"?"]
[3200,null,"2425-10-7",{"$nulls":7},""]
[3201,"CCCCOCC1CO1","2426-08-6","CCCCOCC1CO1","CCCCOCC1OC1",{"$nulls":4},130.099379688,"?"]
[3202,"CC(C)CCCCCCO","2430-22-0","CC(C)CCCCCCO","CC(C)CCCCCCO",{"$nulls":4},144.15141526,"?"]
[3203,"CC1=CC(Cl)=C(O)C(Cl)=C1","2432-12-4","Cc1cc(Cl)c(O)c(Cl)c1","Cc1cc(c(c(c1)Cl)O)Cl",{"$nulls":4},175.979570172,"?"]
[3204,"CC1=NC2=NC=CN=C2C=N1","2432-20-4","Cc1ncc2nccnc2n1","Cc1nc2c(cn1)nccn2",{"$nulls":4},146.059246192,"?"]
[3205,"CC1=NC=NC2=NC=CN=C12","2432-21-5","Cc1ncnc2nccnc12","Cc1c2c(ncn1)nccn2",{"$nulls":4},146.059246192,"?"]
[3206,"NCCCCCCCCCCC(O)=O","2432-99-7","NCCCCCCCCCCC(=O)O","NCCCCCCCCCCC(=O)O",{"$nulls":4},201.172878976,"?"]
[3207,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C=C(Cl)C=C1","2437-79-8","Clc1ccc(-c2ccc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[3208,"CC1=CC2=NC3=C(SC(=O)S3)N=C2C=C1","2439-01-2","Cc1ccc2nc3sc(=O)sc3nc2c1","Cc1cc2c(cc1)nc3c(sc(s3)=O)n2",{"$nulls":4},233.992154812,"?"]
[3209,"CC(O)=O.CCCCCCCCCCCCNC(N)=N","2439-10-3","CCCCCCCCCCCCNC(=N)N","CCCCCCCCCCCCNC(=N)N","CC(O)=O",{"$nulls":3},287.257277296,"?"]
[3210,"COC1=CC=CC=C1C(N)=O","2439-77-2","COc1ccccc1C(N)=O","COc1c(cccc1)C(N)=O",{"$nulls":4},151.063328528,"?"]
[3211,"OC(=O)CN(CP(O)(O)=O)CP(O)(O)=O","2439-99-8","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O",{"$nulls":4},262.99598957200016,"?"]
[3212,"NC1=CC=C(CC(=O)C2=CC=CC=C2)C=C1","2440-20-2","Nc1ccc(CC(=O)c2ccccc2)cc1","Nc1ccc(cc1)CC(=O)c2ccccc2",{"$nulls":4},211.099714036,"?"]
[3213,"ClC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1","2444-89-5","Clc1ccc(Oc2ccc(Cl)cc2)cc1","Clc1ccc(cc1)Oc2ccc(cc2)Cl",{"$nulls":4},237.995220236,"?"]
[3214,null,"2451-01-6",{"$nulls":7},""]
[3215,"COP(=S)(OC)OC1=CC=C(C=C1Cl)[N+]([O-])=O","2463-84-5","COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1Cl","COP(=S)(OC)Oc1c(cc(cc1)[N+](=O)[O-])Cl",{"$nulls":4},296.9627576980002,"?"]
[3216,null,"2464-37-1",{"$nulls":7},""]
[3217,"NC1=CC=C(N)C2=C1C(=O)C1=C(N)C=CC(N)=C1C2=O","2475-45-8","Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C2=O","Nc1c2c(c(cc1)N)C(c3c(C2=O)c(N)ccc3N)=O",{"$nulls":4},268.09602562400033,"?"]
[3218,"OS(=O)(=O)C1=CC=C(C=C1)N=NC1=CC=CC=C1","2484-88-0","O=S(=O)(O)c1ccc(N=Nc2ccccc2)cc1","O=S(=O)(O)c1ccc(cc1)N=Nc2ccccc2",{"$nulls":4},262.04121318000017,"?"]
[3219,null,"2487-01-6",{"$nulls":7},""]
[3220,"OC(=O)CNC=O","2491-15-8","O=CNCC(=O)O","O=CNCC(=O)O",{"$nulls":4},103.02694302,"?"]
[3221,"OC1=CC=C(C=C1)C(=O)CC1=CC=CC=C1","2491-32-9","O=C(Cc1ccccc1)c1ccc(O)cc1","O=C(Cc1ccccc1)c2ccc(cc2)O",{"$nulls":4},212.083729624,"?"]
[3222,"CCOP(=S)(OCC)SCCS(=O)(=O)CC","2497-06-5","CCOP(=S)(OCC)SCCS(=O)(=O)CC","CCOP(=S)(OCC)SCCS(=O)(=O)CC",{"$nulls":4},306.0183087180005,"?"]
[3223,"CCOP(=S)(OCC)SCCS(=O)CC","2497-07-6","CCOP(=S)(OCC)SCCS(=O)CC","CCOP(=S)(OCC)SCCS(=O)CC",{"$nulls":4},290.0233940980005,"?"]
[3224,"CC1=C2C=C(F)C3=CC=CC=C3C2=CC2=CC=CC=C12","2498-63-7","Cc1c2ccccc2cc2c1cc(F)c1ccccc12","Cc1c2c(cc3c1cccc3)c4c(c(c2)F)cccc4",{"$nulls":4},260.10012863600014,"?"]
[3225,"CC1=C2C(C=CC3=CC4=CC=CC=C4C=C23)=CC=C1","2498-77-3","Cc1cccc2ccc3cc4ccccc4cc3c12","Cc1c2c(ccc1)ccc3c2cc4c(c3)cccc4",{"$nulls":4},242.109550448,"?"]
[3226,null,"2516-95-2",{"$nulls":7},""]
[3227,"OC(=O)C1=CC(=CC=C1Cl)[N+]([O-])=O","2516-96-3","O=C(O)c1cc([N+](=O)[O-])ccc1Cl","O=C(O)c1c(ccc(c1)[N+](=O)[O-])Cl",{"$nulls":4},200.982885288,"?"]
[3228,null,"2518-42-5",{"$nulls":7},""]
[3229,"CCCCOP(=O)(OCCCC)OC1=CC=CC=C1","2528-36-1","CCCCOP(=O)(OCCCC)Oc1ccccc1","CCCCOP(=O)(OCCCC)Oc1ccccc1",{"$nulls":4},286.13339584600067,"?"]
[3230,"CC1=CC=C2C(C=CC3=CC=CC=C23)=C1","2531-84-2","Cc1ccc2c(ccc3ccccc32)c1","Cc1cc2c(cc1)c3c(cc2)cccc3",{"$nulls":4},192.093900384,"?"]
[3231,null,"2536-31-4",{"$nulls":7},""]
[3232,"COC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1O","2539-17-5","COc1c(O)c(Cl)c(Cl)c(Cl)c1Cl","COc1c(c(c(c(c1O)Cl)Cl)Cl)Cl",{"$nulls":4},259.8965400880001,"?"]
[3233,"COP(=S)(OC)SCC(=O)N(C)C=O","2540-82-1","COP(=S)(OC)SCC(=O)N(C)C=O","COP(=S)(OC)SCC(=O)N(C)C=O",{"$nulls":4},256.99453649400004,"?"]
[3234,"CC1=C2C(F)=CC3=CC=CC=C3C2=CC2=CC=CC=C12","2541-68-6","Cc1c2ccccc2cc2c1c(F)cc1ccccc12","Cc1c2c(cc3c1cccc3)c4c(cc2F)cccc4",{"$nulls":4},260.10012863600014,"?"]
[3235,null,"2541-69-7",{"$nulls":7},""]
[3236,"OC(=O)CCCCCCCC=O","2553-17-5","O=CCCCCCCCC(=O)O","O=CCCCCCCCC(=O)O",{"$nulls":4},172.109944372,"?"]
[3237,"ClC(Cl)C(=O)NC1=CC=CC=C1","2563-99-7","O=C(Nc1ccccc1)C(Cl)Cl","O=C(Nc1ccccc1)C(Cl)Cl",{"$nulls":4},202.990469204,"?"]
[3238,"CCC1OCCO1","2568-96-9","CCC1OCCO1","CCC1OCCO1",{"$nulls":4},102.06807956,"?"]
[3239,"CC(=C)[CH]1[CH]2OC(=O)[CH]1[C]1(O)[CH]3O[CH]3[C]3(CO3)[C]1(C)[CH]2O","2571-22-4","C=C(C)C1C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2O","C=C(C)C1C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O",{"$nulls":4},294.1103382960005,"?"]
[3240,"NC(=NO)C(N)=NO","2580-79-2","NC(=NO)C(N)=NO","NC(=NO)C(N)=NO",{"$nulls":4},118.049075432,"?"]
[3241,"CC1=C(C=CC(O)=C1)[N+]([O-])=O","2581-34-2","Cc1cc(O)ccc1[N+](=O)[O-]","Cc1c(ccc(c1)O)[N+](=O)[O-]",{"$nulls":4},153.042593084,"?"]
[3242,null,"2581-69-3",{"$nulls":7},""]
[3243,null,"2582-07-2",{"$nulls":7},""]
[3244,"OC(=O)CCC=CC(O)=O","2583-24-6","O=C(O)C=CCCC(=O)O","O=C(O)C=CCCC(=O)O",{"$nulls":4},144.042258736,"?"]
[3245,"CCOP(=S)(OCC)SCS(=O)CC","2588-03-6","CCOP(=S)(OCC)SCS(=O)CC","CCOP(=S)(OCC)SCS(=O)CC",{"$nulls":4},276.00774403400044,"?"]
[3246,"CCOP(=S)(OCC)SCS(=O)(=O)CC","2588-04-7","CCOP(=S)(OCC)SCS(=O)(=O)CC","CCOP(=S)(OCC)SCS(=O)(=O)CC",{"$nulls":4},292.00265865400047,"?"]
[3247,"CCOP(=O)(OCC)SCS(=O)CC","2588-05-8","CCOP(=O)(OCC)SCS(=O)CC","CCOP(=O)(OCC)SCS(=O)CC",{"$nulls":4},260.0305876540001,"?"]
[3248,null,"2593-15-9",{"$nulls":7},""]
[3249,"CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC","2595-54-2","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC",{"$nulls":4},329.0520513700005,"?"]
[3250,"CCOC(=O)C(SP(=S)(OC)OC)C1=CC=CC=C1","2597-03-7","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1",{"$nulls":4},320.03058765400044,"?"]
[3251,"C[Hg]C#N","2597-97-9","C[Hg]C#N","C[Hg]C#N",{"$nulls":4},242.997192096,"?"]
[3252,"CCNC1=NC(NCC)=NC(O)=N1","2599-11-3","CCNc1nc(O)nc(NCC)n1","CCNc1nc(nc(n1)O)NCC",{"$nulls":4},183.112010036,"?"]
[3253,"CC1=NC(C)=C(C=C1C(O)=O)C(O)=O","2602-36-0","Cc1nc(C)c(C(=O)O)cc1C(=O)O","Cc1c(cc(c(n1)C)C(=O)O)C(=O)O",{"$nulls":4},195.053157768,"?"]
[3254,"[Na+].[Na+].[Na+].OC1=C(N=NC2=C3C=CC=CC3=C(C=C2)S([O-])(=O)=O)C2=C(C=C(C=C2C=C1)S([O-])(=O)=O)S([O-])(=O)=O","2611-82-7","O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2c(N=Nc3ccc(S(=O)(=O)[O-])c4ccccc34)c(O)ccc2c1","O=S(=O)(O)c1cc2c(c(c1)S(=O)(=O)O)c(N=Nc3c4c(c(cc3)S(=O)(=O)O)cccc4)c(O)cc2","[Na+]","[Na+]","[Na+]",null,603.9268903920001,"Structure has been neutralized"]
[3255,null,"2620-71-5",{"$nulls":7},""]
[3256,"OC1CCN(CCCN2C3=CC=CC=C3SC3=CC=C(C=C23)C#N)CC1","2622-26-6","N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2","N#Cc1cc2c(cc1)Sc3c(N2CCCN4CCC(CC4)O)cccc3",{"$nulls":4},365.15618335600067,"?"]
[3257,"CC(=O)NC1=CC=C(OC(C)=O)C=C1","2623-33-8","CC(=O)Nc1ccc(OC(C)=O)cc1","CC(=O)Nc1ccc(cc1)OC(C)=O",{"$nulls":4},193.073893212,"?"]
[3258,null,"2625-22-1",{"$nulls":7},""]
[3259,"CN1C(=O)N(C)C2=NC(C)=C(C)N=C2C1=O","2625-25-4","Cc1nc2c(=O)n(C)c(=O)n(C)c2nc1C","Cc1c(nc2c(n1)c(=O)n(C)c(=O)n2C)C",{"$nulls":4},220.096025624,"?"]
[3260,"CNC(=O)OC1=CC(=CC(C)=C1)C(C)C","2631-37-0","CNC(=O)Oc1cc(C)cc(C(C)C)c1","CNC(=O)Oc1cc(cc(c1)C)C(C)C",{"$nulls":4},207.125928784,"?"]
[3261,"CNC(=O)OC1=C(C=CC=C1)C(C)C","2631-40-5","CNC(=O)Oc1ccccc1C(C)C","CNC(=O)Oc1c(cccc1)C(C)C",{"$nulls":4},193.11027872,"?"]
[3262,"OC1=C(C=O)C=C(I)C=C1I","2631-77-8","O=Cc1cc(I)cc(I)c1O","O=Cc1c(c(cc(c1)I)I)O",{"$nulls":4},373.8300753680001,"?"]
[3263,"CCC1=NC(CC)=C(C)C(N)=N1","2635-56-5","CCc1nc(N)c(C)c(CC)n1","CCc1nc(c(c(n1)N)C)CC",{"$nulls":4},165.12659748,"?"]
[3264,"CCCC(=O)OC1=CC=C(C=C1)[N+]([O-])=O","2635-84-9","CCCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},209.068807832,"?"]
[3265,"COP(=S)(OC)OC1=CC=C(C=C1)C#N","2636-26-2","COP(=S)(OC)Oc1ccc(C#N)cc1","COP(=S)(OC)Oc1ccc(cc1)C#N",{"$nulls":4},243.01190081,"?"]
[3266,"ON=C1C(=O)C=CC2=CC=CC=C12","2636-79-5","O=C1C=Cc2ccccc2C1=NO","O=C1C(c2c(C=C1)cccc2)=NO",{"$nulls":4},173.047678464,"?"]
[3267,null,"2638-94-0",{"$nulls":7},""]
[3268,"CCOP(=S)(OCC)SCN1N=NC2=CC=CC=C2C1=O","2642-71-9","CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O","CCOP(=S)(OCC)SCn1c(c2c(nn1)cccc2)=O",{"$nulls":4},345.0370700020004,"?"]
[3269,null,"2642-98-0",{"$nulls":7},""]
[3270,null,"2655-14-3",{"$nulls":7},""]
[3271,"CNC(=O)OC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C","2655-19-8","CNC(=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1","CNC(=O)Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C",{"$nulls":4},263.1885290400002,"?"]
[3272,"COC1=CC(Cl)=C(OC)C=C1Cl","2675-77-6","COc1cc(Cl)c(OC)cc1Cl","COc1c(cc(c(c1)Cl)OC)Cl",{"$nulls":4},205.990134856,"?"]
[3273,null,"2679-14-3",{"$nulls":7},""]
[3274,null,"2687-96-9",{"$nulls":7},""]
[3275,"ClC1=CC=CC=C1OC1=CC=CC=C1","2689-07-8","Clc1ccccc1Oc1ccccc1","Clc1c(cccc1)Oc2ccccc2",{"$nulls":4},204.034192588,"?"]
[3276,null,"2703-37-9",{"$nulls":7},""]
[3277,"CC(=O)NC1=CC=C(C=C1)C(C)=O","2719-21-3","CC(=O)Nc1ccc(C(C)=O)cc1","CC(=O)Nc1ccc(cc1)C(C)=O",{"$nulls":4},177.078978592,"?"]
[3278,"[O-][N+](=O)C1=CC2=C(OC(=O)C=C2)C=C1","2725-81-7","O=c1ccc2cc([N+](=O)[O-])ccc2o1","O=c1oc2c(cc1)cc([N+](=O)[O-])cc2",{"$nulls":4},191.02185764,"?"]
[3279,"CCCCOP(=O)(OCC)OCC","2737-00-0","CCCCOP(=O)(OCC)OCC","CCCCOP(=O)(OCC)OCC",{"$nulls":4},210.102095718,"?"]
[3280,"CCOC(=O)C(N)CC(C)C","2743-60-4","CCOC(=O)C(N)CC(C)C","CCOC(=O)C(N)CC(C)C",{"$nulls":4},159.125928784,"?"]
[3281,null,"2752-39-8",{"$nulls":7},""]
[3282,null,"2754-57-6",{"$nulls":7},""]
[3283,"C1C[N+]2=C(C=CC=C2)C2=CC=CC=[N+]12","2764-72-9","c1cc[n+]2c(c1)-c1cccc[n+]1CC2","c1cc-2[n+](cc1)CC[n+]3c2cccc3",{"$nulls":4},184.100048384,"?"]
[3284,"COC1=CC(Cl)=C(Cl)C=C1OC","2772-46-5","COc1cc(Cl)c(Cl)cc1OC","COc1c(cc(c(c1)Cl)Cl)OC",{"$nulls":4},205.990134856,"?"]
[3285,"COC1=COC(CSP(=O)(OC)OC)=CC1=O","2778-04-3","COc1coc(CSP(=O)(OC)OC)cc1=O","COc1c(cc(oc1)CSP(=O)(OC)OC)=O",{"$nulls":4},280.01704576600036,"?"]
[3286,null,"2784-22-7",{"$nulls":7},""]
[3287,"CC(O)(P(O)(O)=O)P(O)(O)=O","2809-21-4","CC(O)(P(=O)(O)O)P(=O)(O)O","CC(O)(P(=O)(O)O)P(=O)(O)O",{"$nulls":4},205.974525856,"?"]
[3288,"CCC(C)C1=C(OC(C)=O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O","2813-95-8","CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(C)=O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(C)=O",{"$nulls":4},282.0851861680004,"?"]
[3289,"C[CH]1CN[CH](C)CN1","2815-34-1","CC1CNC(C)CN1","CC1NCC(NC1)C",{"$nulls":4},114.11569844799999,"?"]
[3290,"CC(=O)C=CC(O)=O","2833-21-8","CC(=O)C=CC(=O)O","CC(=O)C=CC(=O)O",{"$nulls":4},114.031694052,"?"]
[3291,"OC(=O)CCCCCCCCCCBr","2834-05-1","O=C(O)CCCCCCCCCCBr","O=C(O)CCCCCCCCCCBr",{"$nulls":4},264.0724920120002,"?"]
[3292,"NC(C(O)=O)C1=CC=CC=C1","2835-06-5","NC(C(=O)O)c1ccccc1","NC(C(=O)O)c1ccccc1",{"$nulls":4},151.063328528,"?"]
[3293,null,"2835-81-6",{"$nulls":7},""]
[3294,"FC(Cl)C(F)(F)F","2837-89-0","FC(Cl)C(F)(F)F","FC(Cl)C(F)(F)F",{"$nulls":4},135.970290592,"?"]
[3295,"COC1=CC(Cl)=CC=C1","2845-89-8","COc1cccc(Cl)c1","COc1cc(ccc1)Cl",{"$nulls":4},142.018542524,"?"]
[3296,null,"2861-02-1",{"$nulls":7},""]
[3297,"CC1(C)OCCO1","2916-31-6","CC1(C)OCCO1","CC1(OCCO1)C",{"$nulls":4},102.06807956,"?"]
[3298,"CCOP(=S)(OCC)OC1=NC(Cl)=C(Cl)C=C1Cl","2921-88-2","CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl","CCOP(=S)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl",{"$nulls":4},348.9262838820003,"?"]
[3299,"O=C1CCCC1C#N","2941-29-9","N#CC1CCCC1=O","N#CC1C(CCC1)=O",{"$nulls":4},109.052763844,"?"]
[3300,null,"2941-55-1",{"$nulls":7},""]
[3301,null,"2948-89-2",{"$nulls":7},""]
[3302,"CCCCOP(=O)(CCCC)CCCC","2950-47-2","CCCCOP(=O)(CCCC)CCCC","CCCCOP(=O)(CCCC)CCCC",{"$nulls":4},234.174866734,"?"]
[3303,"CC1=NC(C)=C(Cl)C(O)=C1Cl","2971-90-6","Cc1nc(C)c(Cl)c(O)c1Cl","Cc1c(c(c(c(n1)C)Cl)O)Cl",{"$nulls":4},190.990469204,"?"]
[3304,"OC1=C(Br)C=C(C=O)C=C1","2973-78-6","O=Cc1ccc(O)c(Br)c1","O=Cc1cc(c(cc1)O)Br",{"$nulls":4},199.9472915,"?"]
[3305,"ClC1=CC=C(C=C1)C1=CC(Cl)=CC=C1","2974-90-5","Clc1ccc(-c2cccc(Cl)c2)cc1","Clc1ccc(cc1)-c2cc(ccc2)Cl",{"$nulls":4},222.000305616,"?"]
[3306,"ClC1=C(Cl)C=C(C=C1)C1=CC=CC=C1","2974-92-7","Clc1ccc(-c2ccccc2)cc1Cl","Clc1c(cc(cc1)-c2ccccc2)Cl",{"$nulls":4},222.000305616,"?"]
[3307,"OC(=O)COC1=C(Cl)C(Cl)=CC=C1","2976-74-1","O=C(O)COc1cccc(Cl)c1Cl","O=C(O)COc1c(c(ccc1)Cl)Cl",{"$nulls":4},219.96939941199997,"?"]
[3308,"CCOC(=O)C(C)OC(C)=O","2985-28-6","CCOC(=O)C(C)OC(C)=O","CCOC(=O)C(C)OC(C)=O",{"$nulls":4},160.073558864,"?"]
[3309,"NC1=CC=C(SC#N)C=C1","2987-46-4","N#CSc1ccc(N)cc1","N#CSc1ccc(cc1)N",{"$nulls":4},150.025169192,"?"]
[3310,null,"2993-20-6",{"$nulls":7},""]
[3311,"CCN(CC)C1=NC(NC(C)C)=NC(OC)=N1","3004-70-4","CCN(CC)c1nc(NC(C)C)nc(OC)n1","CCN(CC)c1nc(nc(n1)NC(C)C)OC",{"$nulls":4},239.17461029199998,"?"]
[3312,"CNC1=NC(Cl)=NC(NC(C)C)=N1","3004-71-5","CNc1nc(Cl)nc(NC(C)C)n1","CNc1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},201.07812306399998,"?"]
[3313,"OC1=C(C=C(C=O)C=C1)[N+]([O-])=O","3011-34-5","O=Cc1ccc(O)c([N+](=O)[O-])c1","O=Cc1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},167.02185764,"?"]
[3314,"CC(Br)CCl","3017-95-6","CC(Br)CCl","CC(Br)CCl",{"$nulls":4},155.934139972,"?"]
[3315,"CC(=O)CSC#N","3029-48-9","CC(=O)CSC#N","CC(=O)CSC#N",{"$nulls":4},115.00918478,"?"]
[3316,"CC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O","3032-55-1","CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]",{"$nulls":4},255.03387886800002,"?"]
[3317,null,"3035-45-8",{"$nulls":7},""]
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[3346,null,"3196-84-7",{"$nulls":7},""]
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[3348,null,"3202-84-4",{"$nulls":7},""]
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[3356,null,"3244-90-4",{"$nulls":7},""]
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[3359,null,"3260-51-3",{"$nulls":7},""]
[3360,null,"3260-52-4",{"$nulls":7},""]
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[3362,null,"3283-26-9",{"$nulls":7},""]
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[3367,null,"3318-78-3",{"$nulls":7},""]
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[3371,null,"3343-95-1",{"$nulls":7},""]
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[3375,"C=CCCN=C=S","3386-97-8","C=CCCN=C=S","C=CCCN=C=S",{"$nulls":4},113.029920224,"?"]
[3376,null,"3387-87-9",{"$nulls":7},""]
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[3378,null,"3403-77-8",{"$nulls":7},""]
[3379,null,"3408-30-8",{"$nulls":7},""]
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[3381,"NC(=O)CCCC(N)=O","3424-60-0","NC(=O)CCCC(N)=O","NC(=O)CCCC(N)=O",{"$nulls":4},130.07422756,"?"]
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[3383,null,"3434-54-6",{"$nulls":7},""]
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[3427,"CCCCCC1CCCC1","3741-00-2","CCCCCC1CCCC1","CCCCCC1CCCC1",{"$nulls":4},140.15650064,"?"]
[3428,"O=S1OCCO1","3741-38-6","O=S1OCCO1","O=S1OCCO1",{"$nulls":4},107.988114988,"?"]
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[3431,null,"3766-81-2",{"$nulls":7},""]
[3432,null,"3771-38-8",{"$nulls":7},""]
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[3749,null,"6382-06-5",{"$nulls":7},""]
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[3751,null,"6392-46-7",{"$nulls":7},""]
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[3760,"OC1=C(C=CC=C1[N+]([O-])=O)C(=O)NC1=CC=C(Cl)C=C1","6490-99-9","O=C(Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1O","O=C(Nc1ccc(cc1)Cl)c2c(c(ccc2)[N+](=O)[O-])O",{"$nulls":4},292.02508444800026,"?"]
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[3811,null,"7029-96-1",{"$nulls":7},""]
[3812,"CCCCN(C)N=O","7068-83-9","CCCCN(C)N=O","CCCCN(C)N=O",{"$nulls":4},116.094963004,"?"]
[3813,"CC(C)C1=CC=CC=C1Br","7073-94-1","CC(C)c1ccccc1Br","CC(C)c1c(cccc1)Br",{"$nulls":4},198.004412452,"?"]
[3814,null,"7085-19-0",{"$nulls":7},""]
[3815,null,"7100-92-7",{"$nulls":7},""]
[3816,"NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1","7146-68-1","Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)Cl",{"$nulls":4},267.0120772400003,"?"]
[3817,"CC1=CC(O)=C(C=C1Cl)[N+]([O-])=O","7147-89-9","Cc1cc(O)c([N+](=O)[O-])cc1Cl","Cc1c(cc(c(c1)O)[N+](=O)[O-])Cl",{"$nulls":4},187.003620732,"?"]
[3818,null,"7159-34-4",{"$nulls":7},""]
[3819,"CCOC1=CC=C(C=C1)N(C(C)=O)C(C)=O","7174-45-0","CCOc1ccc(N(C(C)=O)C(C)=O)cc1","CCOc1ccc(cc1)N(C(C)=O)C(C)=O",{"$nulls":4},221.10519334,"?"]
[3820,null,"7242-58-2",{"$nulls":7},""]
[3821,"CCCCOP(=O)(OC)OCCCC","7242-59-3","CCCCOP(=O)(OC)OCCCC","CCCCOP(=O)(OC)OCCCC",{"$nulls":4},224.117745782,"?"]
[3822,"OC(=O)C1=C2C=CC=NC2=CC=C1","7250-53-5","O=C(O)c1cccc2ncccc12","O=C(O)c1c2c(ccc1)nccc2",{"$nulls":4},173.047678464,"?"]
[3823,null,"7251-85-6",{"$nulls":7},""]
[3824,"COC(=O)C1=CC(Cl)=CC(N)=C1Cl","7286-84-2","COC(=O)c1cc(Cl)cc(N)c1Cl","COC(=O)c1c(c(cc(c1)Cl)N)Cl",{"$nulls":4},218.985383824,"?"]
[3825,"CSC1=NC(NC(C)C)=NC(NC(C)C)=N1","7287-19-6","CSc1nc(NC(C)C)nc(NC(C)C)n1","CSc1nc(nc(n1)NC(C)C)NC(C)C",{"$nulls":4},241.13611660799998,"?"]
[3826,null,"7287-36-7",{"$nulls":7},""]
[3827,null,"7288-32-6",{"$nulls":7},""]
[3828,"CCCOP(=O)(OCCC)OC1=CC=C(SC)C=C1","7292-16-2","CCCOP(=O)(OCCC)Oc1ccc(SC)cc1","CCCOP(=O)(OCCC)Oc1ccc(cc1)SC",{"$nulls":4},304.0898167820006,"?"]
[3829,"CCC(C)(O)C(C)(C)C","7294-05-5","CCC(C)(O)C(C)(C)C","CCC(C)(O)C(C)(C)C",{"$nulls":4},130.135765196,"?"]
[3830,null,"7334-51-2",{"$nulls":7},""]
[3831,null,"7345-19-9",{"$nulls":7},""]
[3832,null,"7352-07-0",{"$nulls":7},""]
[3833,"OC(=O)CC[Se][Se]CCC(O)=O","7370-58-3","O=C(O)CC[Se][Se]CCC(=O)O","O=C(O)CC[Se][Se]CCC(=O)O",{"$nulls":4},305.89095140000023,"?"]
[3834,null,"7374-53-0",{"$nulls":7},""]
[3835,"OCN1CC(=O)N(CO)CC1=O","7383-56-4","O=C1CN(CO)C(=O)CN1CO","O=C1N(CC(N(C1)CO)=O)CO",{"$nulls":4},174.0640568,"?"]
[3836,"CC(C)C1C(O)=NC(=O)N=C1O","7391-69-7","CC(C)C1C(O)=NC(=O)N=C1O","CC(C)C1C(=NC(N=C1O)=O)O",{"$nulls":4},170.06914218,"?"]
[3837,null,"7402-93-9",{"$nulls":7},""]
[3838,"OC1=C2N=CSC2=CC=C1","7405-23-4","Oc1cccc2scnc12","Oc1c2c(ccc1)scn2",{"$nulls":4},151.00918478,"?"]
[3839,null,"7412-25-1",{"$nulls":7},""]
[3840,"CN(N=O)C(C)=O","7417-67-6","CC(=O)N(C)N=O","CC(=O)N(C)N=O",{"$nulls":4},102.042927432,"?"]
[3841,"[H][C]12[C]3([H])C[CH](C=O)[C]4([H])[C]3([H])[C]3(Cl)[C]1(Cl)[C]2(Cl)[C]4(Cl)C3(Cl)Cl","7421-93-4","O=CC1CC2C3C1C1(Cl)C(Cl)(Cl)C3(Cl)C3(Cl)C2C13Cl","O=CC1C2C3C(C1)C4C5(C3(C(C2(C54Cl)Cl)(Cl)Cl)Cl)Cl",{"$nulls":4},377.87063095600007,"?"]
[3842,"O=S=O","7446-09-5","O=S=O","O=S=O",{"$nulls":4},63.961900240000006,"?"]
[3843,"CCNC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","7449-27-6","CCNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","CCNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},256.044383976,"?"]
[3844,null,"7463-31-2",{"$nulls":7},""]
[3845,"NC1=NC2=C(O)C=CC=C2S1","7471-03-6","Nc1nc2c(O)cccc2s1","Nc1sc2c(n1)c(O)ccc2",{"$nulls":4},166.020083812,"?"]
[3846,null,"7473-09-8",{"$nulls":7},""]
[3847,null,"7475-29-8",{"$nulls":7},""]
[3848,"NC1=NC(=O)N(C=C1)[CH]1CC[CH](CO)O1","7481-89-2","Nc1ccn(C2CCC(CO)O2)c(=O)n1","Nc1nc(n(cc1)C2OC(CC2)CO)=O",{"$nulls":4},211.095691276,"?"]
[3849,"CC1=C2C=C(F)C=CC2=CC2=C1C=CC1=CC=CC=C21","7496-10-8","Cc1c2cc(F)ccc2cc2c1ccc1ccccc12","Cc1c2c(cc3c1cc(F)cc3)c4c(cc2)cccc4",{"$nulls":4},260.10012863600014,"?"]
[3850,"COC1(C)COC(C)(CO1)OC","7504-90-7","COC1(C)COC(C)(OC)CO1","COC1(OCC(OC1)(C)OC)C",{"$nulls":4},176.104858992,"?"]
[3851,"COC1=C(OCC(O)=O)C=CC(C=CC)=C1","7510-46-5","CC=Cc1ccc(OCC(=O)O)c(OC)c1","CC=Cc1cc(c(cc1)OCC(=O)O)OC",{"$nulls":4},222.089208928,"?"]
[3852,null,"7517-39-7",{"$nulls":7},""]
[3853,"OC1=NCCCCCCCCCCCC1","7518-64-1","OC1=NCCCCCCCCCCCC1","OC=1CCCCCCCCCCCCN1",{"$nulls":4},211.19361442,"?"]
[3854,"OCC1=CC(Cl)=C(Cl)C(Cl)=C1","7520-67-4","OCc1cc(Cl)c(Cl)c(Cl)c1","OCc1cc(c(c(c1)Cl)Cl)Cl",{"$nulls":4},209.94059782,"?"]
[3855,null,"7525-08-8",{"$nulls":7},""]
[3856,"II","7553-56-2","II","II",{"$nulls":4},253.808946,"?"]
[3857,"OC1=CC=CC2=CN=CN=C12","7557-02-0","Oc1cccc2cncnc12","Oc1c2c(ccc1)cncn2",{"$nulls":4},146.048012812,"?"]
[3858,"[Na+].OP(O)([O-])=O","7558-80-7","O=P([O-])(O)O","O=P(O)(O)O","[Na+]",{"$nulls":3},119.95883945400001,"Structure has been neutralized"]
[3859,null,"7559-55-9",{"$nulls":7},""]
[3860,"OCCNC1=CC=CC=C1","7568-93-6","OCCNc1ccccc1","OCCNc1ccccc1",{"$nulls":4},137.084063972,"?"]
[3861,"CC(Cl)C(C)Cl","7581-97-7","CC(Cl)C(C)Cl","CC(Cl)C(C)Cl",{"$nulls":4},126.00030561599999,"?"]
[3862,"ON(C(=O)C1=CC=CO1)C1=CC=CC=C1","7630-14-0","O=C(c1ccco1)N(O)c1ccccc1","O=C(c1occc1)N(O)c2ccccc2",{"$nulls":4},203.058243148,"?"]
[3863,"F","7664-39-3","F","F",{"$nulls":4},20.006228252,"?"]
[3864,"OS(O)(=O)=O","7664-93-9","O=S(=O)(O)O","O=S(=O)(O)O",{"$nulls":4},97.96737954400001,"?"]
[3865,null,"7668-23-7",{"$nulls":7},""]
[3866,"NC1=NS(=O)(=O)C2=CC=CC=C12","7668-28-2","NC1=NS(=O)(=O)c2ccccc21","NC=1c2c(S(N1)(=O)=O)cccc2",{"$nulls":4},182.014998432,"?"]
[3867,"CCCOC(=O)C1=CN=CC=C1","7681-15-4",null,null,"CCCOC(=O)c1cnccc1",{"$nulls":3},622.8638855000003,"?"]
[3868,"CN1C(COC(N)=O)=NC=C1[N+]([O-])=O","7681-76-7","Cn1c([N+](=O)[O-])cnc1COC(N)=O","Cn1c(ncc1[N+](=O)[O-])COC(N)=O",{"$nulls":4},200.054554736,"?"]
[3869,"[H][C]12C[CH](O)C[C]3(O)C[CH](O)[CH](C(O)=O)[C]([H])(C[CH](O[C]4(C)O[CH](C)[CH](O)[CH](N)[CH]4O)C=CC=CC=CC=CC[CH](C)OC(=O)C=C[CH]1O2)O3","7681-93-8","CC1CC=CC=CC=CC=CC(OC2(C)OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)O","CC1OC(C=CC2C(CC(CC3(OC(CC(C=CC=CC=CC=CC1)OC4(C(C(C(C(O4)C)O)N)O)C)C(C(C3)O)C(=O)O)O)O)O2)=O",{"$nulls":4},679.3203906280014,"?"]
[3870,null,"7682-16-8",{"$nulls":7},""]
[3871,"CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C","7696-12-0","CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C","CC(C)=CC1C(C1C(=O)OCN2C(C3=C(C2=O)CCCC3)=O)(C)C",{"$nulls":4},331.1783582800007,"?"]
[3872,"COP(=O)(OC)OC(C)=CC(=O)OC(C)C1=CC=CC=C1","7700-17-6","COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1","COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1",{"$nulls":4},314.09192495800056,"?"]
[3873,"OC(=O)C1=C(Cl)C=CC2=CC=CC=C12","7720-42-5","O=C(O)c1c(Cl)ccc2ccccc12","O=C(O)c1c2c(ccc1Cl)cccc2",{"$nulls":4},206.013457144,"?"]
[3874,"OO","7722-84-1","OO","OO",{"$nulls":4},34.005479304,"?"]
[3875,"[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])([O-])=O","7722-88-5","O=P([O-])([O-])OP(=O)([O-])[O-]","O=P(O)(O)OP(=O)(O)O","[Na+]","[Na+]","[Na+]","[Na+]",265.87100272000004,"Structure has been neutralized"]
[3876,"BrBr","7726-95-6","BrBr","BrBr",{"$nulls":4},157.8366742,"?"]
[3877,"N#N","7727-37-9","N#N","[N-]=[NH2+]",{"$nulls":4},28.006148,"Structure has been neutralized"]
[3878,"[K+].[O-][I](=O)=O","7758-05-6","[O-][I+2]([O-])[O-]","[O-][I+2]([O-])[O-]","[K+]",{"$nulls":3},213.85292354,"Errors in neutralization"]
[3879,"O.O.O.O.O.[Cu++].[O-]S([O-])(=O)=O","7758-99-8","O=S(=O)([O-])[O-]","O=S(=O)(O)O","[Cu+2]","O","O","O",248.9341504,"Structure has been neutralized","O"]
[3880,"CC1CCC(CC1=O)C(C)=C","7764-50-3","C=C(C)C1CCC(C)C(=O)C1","C=C(C)C1CC(C(CC1)C)=O",{"$nulls":4},152.120115132,"?"]
[3881,"O[As](O)(O)=O","7778-39-4","O=[As](O)(O)O","O=[As](O)(O)O",{"$nulls":4},141.924730076,"?"]
[3882,"O=O","7782-44-7","O=O","O=O",{"$nulls":4},31.98982924,"?"]
[3883,"ClCl","7782-50-5","ClCl","ClCl",{"$nulls":4},69.93770536,"?"]
[3884,"S","7783-06-4","S","S",{"$nulls":4},33.987721064,"?"]
[3885,"COC(=O)C=C(C)OP(=O)(OC)OC","7786-34-7","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",{"$nulls":4},224.044974766,"?"]
[3886,"CCC(Cl)(Cl)Cl","7789-89-1","CCC(Cl)(Cl)Cl","CCC(Cl)(Cl)Cl",{"$nulls":4},145.9456832,"?"]
[3887,null,"8000-41-7",{"$nulls":7},""]
[3888,null,"8000-97-3",{"$nulls":7},""]
[3889,null,"8048-52-0",{"$nulls":7},""]
[3890,null,"8065-36-9",{"$nulls":7},""]
[3891,null,"9004-57-3",{"$nulls":7},""]
[3892,"CC1=CC(=O)NO1","10004-44-1","Cc1cc(=O)[nH]o1","Cc1o[nH]c(c1)=O",{"$nulls":4},99.0320284,"?"]
[3893,"CCCCCCCCOCCO","10020-43-6","CCCCCCCCOCCO","CCCCCCCCOCCO",{"$nulls":4},174.161979944,"?"]
[3894,"CC(C)[CH](O)C#N","10021-64-4","CC(C)C(O)C#N","CC(C)C(O)C#N",{"$nulls":4},99.068413908,"?"]
[3895,"CCC(=O)OCCCCCOC(=O)CC","10025-09-9","CCC(=O)OCCCCCOC(=O)CC","CCC(=O)OCCCCCOC(=O)CC",{"$nulls":4},216.13615912,"?"]
[3896,"CCC(CC)COC(C)=O","10031-87-5","CCC(CC)COC(C)=O","CCC(CC)COC(C)=O",{"$nulls":4},144.115029752,"?"]
[3897,null,"10054-21-4",{"$nulls":7},""]
[3898,"ClCC=CCl","10061-01-5","ClC=CCCl","ClC=CCCl",{"$nulls":4},109.969005488,"?"]
[3899,"ClCC=CCl","10061-02-6","ClC=CCCl","ClC=CCCl",{"$nulls":4},109.969005488,"?"]
[3900,"CC(C)C1=CC=C(CCO)C=C1","10099-57-7","CC(C)c1ccc(CCO)cc1","CC(C)c1ccc(cc1)CCO",{"$nulls":4},164.120115132,"?"]
[3901,"CCC(C)N1C(=O)C2=CC=CC=C2C1=O","10108-61-9","CCC(C)N1C(=O)c2ccccc2C1=O","CCC(C)N1C(c2c(C1=O)cccc2)=O",{"$nulls":4},203.094628656,"?"]
[3902,"CN(C)[CH]1[CH]2C[CH]3CC4=C(C(O)=CC=C4N(C)C)C(=O)C3=C(O)[C]2(O)C(=O)C(C(N)=O)=C1O","10118-90-8","CN(C)c1ccc(O)c2c1CC1CC3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C1C2=O","CN(C)c1c2c(c(cc1)O)C(C=3C(C2)CC4C(C(C(=C(C4N(C)C)O)C(N)=O)=O)(O)C3O)=O",{"$nulls":4},457.18490020400066,"?"]
[3903,null,"10143-31-4",{"$nulls":7},""]
[3904,"CC1CC1(C(O)=O)C(O)=O","10180-00-4","CC1CC1(C(=O)O)C(=O)O","CC1C(C1)(C(=O)O)C(=O)O",{"$nulls":4},144.042258736,"?"]
[3905,"OC(=O)CC(C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1","10186-26-2","O=C(O)CC(C(=O)O)(c1ccccc1)c1ccccc1","O=C(O)CC(C(=O)O)(c1ccccc1)c2ccccc2",{"$nulls":4},270.0892089280004,"?"]
[3906,"NC(=O)C(Br)(Br)C#N","10222-01-2","N#CC(Br)(Br)C(N)=O","N#CC(Br)(Br)C(N)=O",{"$nulls":4},239.853386884,"?"]
[3907,"COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1","10238-21-8","COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3",{"$nulls":4},493.14381967600076,"?"]
[3908,"COP(N)(=O)SC","10265-92-6","COP(N)(=O)SC","COP(N)(=O)SC",{"$nulls":4},141.001336126,"?"]
[3909,null,"10290-01-4",{"$nulls":7},""]
[3910,"CCOP(=S)(OCC)SC(CCl)N1C(=O)C2=C(C=CC=C2)C1=O","10311-84-9","CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O","CCOP(=S)(OCC)SC(CCl)N1C(c2c(C1=O)cccc2)=O",{"$nulls":4},393.0025143340004,"?"]
[3911,"CC(C)CN1CCOCC1","10315-98-7","CC(C)CN1CCOCC1","CC(C)CN1CCOCC1",{"$nulls":4},143.131014164,"?"]
[3912,"CC(O)=N[CH](CC1=CC(Br)=C(O)C(Br)=C1)C(O)=O","10346-50-6","CC(O)=NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)O","CC(O)=NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O",{"$nulls":4},378.90548203200024,"?"]
[3913,null,"10349-01-6",{"$nulls":7},""]
[3914,"OC(=O)C1=CC=C2N=CC=CC2=C1","10349-57-2","O=C(O)c1ccc2ncccc2c1","O=C(O)c1cc2c(cc1)nccc2",{"$nulls":4},173.047678464,"?"]
[3915,"OC(=NC1CCCCC1)C1=CN=CC=C1","10354-56-0","OC(=NC1CCCCC1)c1cccnc1","OC(=NC1CCCCC1)c2cnccc2",{"$nulls":4},204.126263132,"?"]
[3916,null,"10373-81-6",{"$nulls":7},""]
[3917,"NC1=C(Br)C=CC(=C1)[N+]([O-])=O","10403-47-1","Nc1cc([N+](=O)[O-])ccc1Br","Nc1c(ccc(c1)[N+](=O)[O-])Br",{"$nulls":4},215.9534395,"?"]
[3918,null,"10408-17-0",{"$nulls":7},""]
[3919,"CCCCCCCCOCC(O)CO","10438-94-5","CCCCCCCCOCC(O)CO","CCCCCCCCOCC(O)CO",{"$nulls":4},204.172544628,"?"]
[3920,"CCOC(=O)CCCOC1=C(C)C=C(Cl)C=C1","10443-70-6","CCOC(=O)CCCOc1ccc(Cl)cc1C","CCOC(=O)CCCOc1c(cc(cc1)Cl)C",{"$nulls":4},256.086622084,"?"]
[3921,"CC(C)=CC1C(C(=O)OCC2=COC(CC3=CC=CC=C3)=C2)C1(C)C","10453-86-8","CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C",{"$nulls":4},338.1881946920007,"?"]
[3922,"OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Br)C=C1","10457-90-6","O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Br)c3ccc(cc3)F",{"$nulls":4},419.0896192960007,"?"]
[3923,"CC1=C(Cl)C(Cl)=C(Cl)C(O)=C1Cl","10460-33-0","Cc1c(Cl)c(O)c(Cl)c(Cl)c1Cl","Cc1c(c(c(c(c1Cl)O)Cl)Cl)Cl",{"$nulls":4},243.901625468,"?"]
[3924,"CCOP(=O)(OC)OC","10463-05-5","CCOP(=O)(OC)OC","CCOP(=O)(OC)OC",{"$nulls":4},154.039495462,"?"]
[3925,"CC(=C)C(C)(C)O","10473-13-9","C=C(C)C(C)(C)O","C=C(C)C(C)(C)O",{"$nulls":4},100.088815004,"?"]
[3926,"CCOP(=S)(OCC)SCS(=O)C(C)(C)C","10548-10-4","CCOP(=S)(OCC)SCS(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)C(C)(C)C",{"$nulls":4},304.03904416200055,"?"]
[3927,"CC(C)OC(=O)C1=CC(=CC(=C1)C(=O)OC(C)C)[N+]([O-])=O","10552-74-6","CC(C)OC(=O)c1cc(C(=O)OC(C)C)cc([N+](=O)[O-])c1","CC(C)OC(=O)c1cc(cc(c1)C(=O)OC(C)C)[N+](=O)[O-]",{"$nulls":4},295.10558726400046,"?"]
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[4041,"CCN1C=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12","14698-29-4","CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3","CCn1c2c(c(c(c1)C(=O)O)=O)cc3OCOc3c2",{"$nulls":4},261.06372245200015,"?"]
[4042,null,"14746-25-9",{"$nulls":7},""]
[4043,null,"14771-77-8",{"$nulls":7},""]
[4044,"CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1","14816-18-3","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1",{"$nulls":4},298.0540999700004,"?"]
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[4046,null,"14862-80-7",{"$nulls":7},""]
[4047,"CC(=O)C=CC1=C(C)CCCC1(C)C","14901-07-6","CC(=O)C=CC1=C(C)CCCC1(C)C","CC(=O)C=CC=1C(CCCC1C)(C)C",{"$nulls":4},192.15141526,"?"]
[4048,"CCCC(C)C(O)CC","14979-39-6","CCCC(C)C(O)CC","CCCC(C)C(O)CC",{"$nulls":4},130.135765196,"?"]
[4049,"O=C(CC#N)N1CCCCC1","15029-30-8","N#CCC(=O)N1CCCCC1","N#CCC(=O)N1CCCCC1",{"$nulls":4},152.094963004,"?"]
[4050,null,"15031-07-9",{"$nulls":7},""]
[4051,"OC1=C(C=CC=C1)S(=O)(=O)C1=C(O)C=CC=C1","15038-67-2","O=S(=O)(c1ccccc1O)c1ccccc1O","O=S(=O)(c1c(cccc1)O)c2c(cccc2)O",{"$nulls":4},250.0299798,"?"]
[4052,null,"15095-74-6",{"$nulls":7},""]
[4053,"ClC(Cl)C(Cl)C(Cl)Cl","15104-61-7","ClC(Cl)C(Cl)C(Cl)Cl","ClC(Cl)C(Cl)C(Cl)Cl",{"$nulls":4},213.867738496,"?"]
[4054,"N[CH](CC1=CC(Cl)=C(O)C(Cl)=C1)C(O)=O","15106-62-4","NC(Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O",{"$nulls":4},248.995948508,"?"]
[4055,"OC(=O)CC(O)(CC(O)=O)C(O)=NC1=CC=CC=C1","15119-64-9","O=C(O)CC(O)(CC(=O)O)C(O)=Nc1ccccc1","O=C(O)CC(O)(CC(=O)O)C(O)=Nc1ccccc1",{"$nulls":4},267.0742871360003,"?"]
[4056,"COC(=O)C1=CC(I)=C(O)C=C1","15126-06-4","COC(=O)c1ccc(O)c(I)c1","COC(=O)c1cc(c(cc1)O)I",{"$nulls":4},277.94399208400023,"?"]
[4057,"CCOC(=O)C1=CC(I)=C(O)C=C1","15126-07-5","CCOC(=O)c1ccc(O)c(I)c1","CCOC(=O)c1cc(c(cc1)O)I",{"$nulls":4},291.9596421480002,"?"]
[4058,"CCCOC(=O)C1=CC(I)=C(O)C=C1","15126-08-6","CCCOC(=O)c1ccc(O)c(I)c1","CCCOC(=O)c1cc(c(cc1)O)I",{"$nulls":4},305.9752922120003,"?"]
[4059,"CCCCOC(=O)C1=CC(I)=C(O)C=C1","15126-09-7","CCCCOC(=O)c1ccc(O)c(I)c1","CCCCOC(=O)c1cc(c(cc1)O)I",{"$nulls":4},319.99094227600034,"?"]
[4060,"C[CH](OC1=C(Cl)C=C(Cl)C=C1)C(O)=O","15165-67-0","CC(Oc1ccc(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O",{"$nulls":4},233.985049476,"?"]
[4061,"OCC1=C(Cl)C=CC=C1Cl","15258-73-8","OCc1c(Cl)cccc1Cl","OCc1c(cccc1Cl)Cl",{"$nulls":4},175.979570172,"?"]
[4062,"CNC(=O)ON=C1[CH](Cl)[CH]2C[CH](C#N)[CH]1C2","15271-41-7","CNC(=O)ON=C1C(Cl)C2CC(C#N)C1C2","CNC(=O)ON=C1C2C(CC(C1Cl)C2)C#N",{"$nulls":4},241.061804304,"?"]
[4063,"CCN(CC)C(=O)C(C)OC1=C2C=CC=CC2=CC=C1","15299-99-7","CCN(CC)C(=O)C(C)Oc1cccc2ccccc12","CCN(CC)C(=O)C(C)Oc1c2c(ccc1)cccc2",{"$nulls":4},271.15722891200045,"?"]
[4064,"CC1=C(OC2=C(C=CC=C2C1=O)C(=O)OCCN1CCCCC1)C1=CC=CC=C1","15301-69-6","Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O","Cc1c(c2c(oc1-c3ccccc3)c(C(=O)OCCN4CCCCC4)ccc2)=O",{"$nulls":4},391.1783582800007,"?"]
[4065,"OC(=O)CC1=C(NC2=C(Cl)C=CC=C2Cl)C=CC=C1","15307-86-5","O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl","O=C(O)Cc1c(cccc1)Nc2c(cccc2Cl)Cl",{"$nulls":4},295.01668395200034,"?"]
[4066,null,"15310-01-7",{"$nulls":7},""]
[4067,null,"15322-68-6",{"$nulls":7},""]
[4068,null,"15341-08-9",{"$nulls":7},""]
[4069,null,"15397-07-6",{"$nulls":7},""]
[4070,null,"15420-54-9",{"$nulls":7},""]
[4071,null,"15446-25-0",{"$nulls":7},""]
[4072,"[O-][N+](=O)C1=CC=C(OC2=C(C=C(C=C2)C(F)(F)F)[N+]([O-])=O)C=C1","15457-05-3","O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},328.0307059840002,"?"]
[4073,"CN(C)C(=O)NC1=CC(Cl)=C(C)C=C1","15545-48-9","Cc1ccc(NC(=O)N(C)C)cc1Cl","Cc1c(cc(cc1)NC(=O)N(C)C)Cl",{"$nulls":4},212.071640716,"?"]
[4074,null,"15599-39-0",{"$nulls":7},""]
[4075,"CC(OC(C)=O)C#N","15657-96-2","CC(=O)OC(C)C#N","CC(=O)OC(C)C#N",{"$nulls":4},113.047678464,"?"]
[4076,"N[Pt](N)(Cl)Cl","15663-27-1","N[Pt](N)(Cl)Cl","N[Pt](N)(Cl)Cl",{"$nulls":4},296.9399445880001,"Errors in neutralization"]
[4077,"CC(C)CC1=CC=C(C=C1)C(C)C(O)=O","15687-27-1","CC(C)Cc1ccc(C(C)C(=O)O)cc1","CC(C)Cc1ccc(cc1)C(C)C(=O)O",{"$nulls":4},206.130679816,"?"]
[4078,null,"15804-19-0",{"$nulls":7},""]
[4079,"ClC1=CC(Cl)=C(C=C1Cl)C1=CC=CC=C1","15862-07-4","Clc1cc(Cl)c(-c2ccccc2)cc1Cl","Clc1c(cc(c(c1)Cl)-c2ccccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4080,"CCCCC(C)(C)CCC","15869-95-1","CCCCC(C)(C)CCC","CCCCC(C)(C)CCC",{"$nulls":4},142.172150704,"?"]
[4081,"OC[CH](O)[CH]1O[CH]2O[CH](O[CH]2[CH]1O)C(Cl)(Cl)Cl","15879-93-3","OCC(O)C1OC2OC(C(Cl)(Cl)Cl)OC2C1O","OCC(O)C1C(C2C(O1)OC(C(Cl)(Cl)Cl)O2)O",{"$nulls":4},307.9621211120003,"?"]
[4082,"CCC(C)O","15892-23-6","CCC(C)O","CCC(C)O",{"$nulls":4},74.07316494,"?"]
[4083,null,"15909-67-8",{"$nulls":7},""]
[4084,"ClC1=CC=CC(Cl)=C1C1=C(Cl)C=CC=C1Cl","15968-05-5","Clc1cccc(Cl)c1-c1c(Cl)cccc1Cl","Clc1c(c(ccc1)Cl)-c2c(cccc2Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4085,"CCC1=CC=CC(CC)=C1N(COC)C(=O)CCl","15972-60-8","CCc1cccc(CC)c1N(COC)C(=O)CCl","CCc1c(c(ccc1)CC)N(COC)C(=O)CCl",{"$nulls":4},269.11825656000036,"?"]
[4086,null,"15996-17-5",{"$nulls":7},""]
[4087,null,"16002-32-7",{"$nulls":7},""]
[4088,"CCCCOCCOC(N)=O","16006-08-9","CCCCOCCOC(N)=O","CCCCOCCOC(N)=O",{"$nulls":4},161.10519334,"?"]
[4089,null,"16022-69-8",{"$nulls":7},""]
[4090,"CC(CN(C(C)=O)C1=C(I)C=C(I)C(N)=C1I)C(O)=O","16034-77-8","CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I","CC(=O)N(CC(C)C(=O)O)c1c(c(c(cc1I)I)N)I",{"$nulls":4},613.8060362760004,"?"]
[4091,null,"16039-53-5",{"$nulls":7},""]
[4092,"OC(=O)CC(Cl)C(O)=O","16045-92-4","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O",{"$nulls":4},151.98763632,"?"]
[4093,"CCNC(=O)C(C)OC(=O)NC1=CC=CC=C1","16118-49-3","CCNC(=O)C(C)OC(=O)Nc1ccccc1","CCNC(=O)C(C)OC(=O)Nc1ccccc1",{"$nulls":4},236.116092372,"?"]
[4094,null,"16165-66-5",{"$nulls":7},""]
[4095,"OC1=CC2=CC=CC=C2C=C1C1=NCCN1","16173-26-5","Oc1cc2ccccc2cc1C1=NCCN1","Oc1c(cc2c(c1)cccc2)C=3NCCN3",{"$nulls":4},212.094963004,"?"]
[4096,"CC1=CC(I)=C(O)C=C1","16188-57-1","Cc1ccc(O)c(I)c1","Cc1cc(c(cc1)O)I",{"$nulls":4},233.954162844,"?"]
[4097,"CC(=O)OC1=CC=CC=C1C=CC(O)=O","16189-10-9","CC(=O)Oc1ccccc1C=CC(=O)O","CC(=O)Oc1c(cccc1)C=CC(=O)O",{"$nulls":4},206.0579088,"?"]
[4098,"CC=C1CC2CC1C=C2","16219-75-3","CC=C1CC2C=CC1C2","CC=C1C2C=CC(C1)C2",{"$nulls":4},120.093900384,"?"]
[4099,null,"16268-25-0",{"$nulls":7},""]
[4100,"CCOC(=O)C1=CC(Cl)=C(O)C=C1","16357-41-8","CCOC(=O)c1ccc(O)c(Cl)c1","CCOC(=O)c1cc(c(cc1)O)Cl",{"$nulls":4},200.024021828,"?"]
[4101,"CC(C)C[CH](N)C(O)=N[CH](CCC(O)=O)C(O)=O","16364-31-1","CC(C)CC(N)C(O)=NC(CCC(=O)O)C(=O)O","CC(C)CC(N)C(O)=NC(CCC(=O)O)C(=O)O",{"$nulls":4},260.13722174000014,"?"]
[4102,null,"16395-81-6",{"$nulls":7},""]
[4103,"C[CH](OC1=C(C)C=C(Cl)C=C1)C(O)=O","16484-77-8","Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",{"$nulls":4},214.039671892,"?"]
[4104,"NC(=O)C(Cl)=C","16490-68-9","C=C(Cl)C(N)=O","C=C(Cl)C(N)=O",{"$nulls":4},104.998141428,"?"]
[4105,"C=COC1CC1","16545-67-8","C=COC1CC1","C=COC1CC1",{"$nulls":4},84.057514876,"?"]
[4106,"ClC1=CC=CC(=C1Cl)C1=CC=CC=C1","16605-91-7","Clc1cccc(-c2ccccc2)c1Cl","Clc1c(c(ccc1)-c2ccccc2)Cl",{"$nulls":4},222.000305616,"?"]
[4107,"ClC1=CC=C(C=C1)C1=C(Cl)C=CC(Cl)=C1","16606-02-3","Clc1ccc(-c2cc(Cl)ccc2Cl)cc1","Clc1ccc(cc1)-c2c(ccc(c2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4108,"CC(C(CC=C)C(O)=O)C(O)=O","16631-06-4","C=CCC(C(=O)O)C(C)C(=O)O","C=CCC(C(=O)O)C(C)C(=O)O",{"$nulls":4},172.073558864,"?"]
[4109,"OP(O)(=O)CCCl","16672-87-0","O=P(O)(O)CCCl","O=P(O)(O)CCCl",{"$nulls":4},143.974308362,"?"]
[4110,"CC1(CCN2CCCCC2)N=C(O)N=C1O","16705-27-4","CC1(CCN2CCCCC2)N=C(O)N=C1O","CC1(C(=NC(=N1)O)O)CCN2CCCCC2",{"$nulls":4},225.147726848,"?"]
[4111,null,"16713-80-7",{"$nulls":7},""]
[4112,null,"16718-61-9",{"$nulls":7},""]
[4113,"NNC(=O)C1=NC=CS1","16733-90-7","NNC(=O)c1nccs1","NNC(=O)c1sccn1",{"$nulls":4},143.01533278,"?"]
[4114,"CNC(=O)ON=C(C)SC","16752-77-5","CNC(=O)ON=C(C)SC","CNC(=O)ON=C(C)SC",{"$nulls":4},162.04629856,"?"]
[4115,"COC1=CC(Cl)=C(Cl)C(Cl)=C1OC","16766-29-3","COc1cc(Cl)c(Cl)c(Cl)c1OC","COc1c(c(c(c(c1)Cl)Cl)Cl)OC",{"$nulls":4},239.951162504,"?"]
[4116,null,"16766-30-6",{"$nulls":7},""]
[4117,null,"16805-99-5",{"$nulls":7},""]
[4118,null,"16806-00-1",{"$nulls":7},""]
[4119,null,"16806-29-4",{"$nulls":7},""]
[4120,null,"16807-50-4",{"$nulls":7},""]
[4121,"CCC(C(C(O)=O)C1=CC=CC=C1)C(O)=O","16827-45-5","CCC(C(=O)O)C(C(=O)O)c1ccccc1","CCC(C(=O)O)C(C(=O)O)c1ccccc1",{"$nulls":4},222.089208928,"?"]
[4122,null,"16840-28-1",{"$nulls":7},""]
[4123,"ON(C(=O)C1=C(Cl)C=C(Cl)C=C1)C1=CC=CC=C1","16845-41-3","O=C(c1ccc(Cl)cc1Cl)N(O)c1ccccc1","O=C(c1c(cc(cc1)Cl)Cl)N(O)c2ccccc2",{"$nulls":4},281.0010338880003,"?"]
[4124,null,"16851-69-7",{"$nulls":7},""]
[4125,"CSC1=NC2=NC=CN=C2C=N1","16878-77-6","CSc1ncc2nccnc2n1","CSc1nc2c(cn1)nccn2",{"$nulls":4},178.031317192,"?"]
[4126,null,"16952-71-9",{"$nulls":7},""]
[4127,"NS(=O)(=O)C1=CC=C(C=C1)S(N)(=O)=O","16993-45-6","NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1","NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O",{"$nulls":4},235.992548736,"?"]
[4128,null,"17013-41-1",{"$nulls":7},""]
[4129,null,"17013-42-2",{"$nulls":7},""]
[4130,"OC1=CC=CC2=C1N=NC=C2","17056-95-0","Oc1cccc2ccnnc12","Oc1c2c(ccc1)ccnn2",{"$nulls":4},146.048012812,"?"]
[4131,"CC1=CN=NC2=C1C=CC=C2O","17056-96-1","Cc1cnnc2c(O)cccc12","Cc1c2c(nnc1)c(O)ccc2",{"$nulls":4},160.063662876,"?"]
[4132,null,"17056-99-4",{"$nulls":7},""]
[4133,"OC1=C2N=CC=CC2=CN=C1","17057-00-0","Oc1cncc2cccnc12","Oc1c2c(cnc1)cccn2",{"$nulls":4},146.048012812,"?"]
[4134,null,"17073-27-7",{"$nulls":7},""]
[4135,null,"17103-43-4",{"$nulls":7},""]
[4136,null,"17103-45-6",{"$nulls":7},""]
[4137,"NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CN1","17103-46-7","Nc1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2[nH]ccn2",{"$nulls":4},238.05244656,"?"]
[4138,null,"17103-48-9",{"$nulls":7},""]
[4139,null,"17103-49-0",{"$nulls":7},""]
[4140,"NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CO1","17103-51-4","Nc1ccc(S(=O)(=O)Nc2ncco2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2occn2",{"$nulls":4},239.036462148,"?"]
[4141,null,"17103-52-5",{"$nulls":7},""]
[4142,null,"17103-53-6",{"$nulls":7},""]
[4143,"CCOP(=O)(SC1=CC=CC=C1)SC1=CC=CC=C1","17109-49-8","CCOP(=O)(Sc1ccccc1)Sc1ccccc1","CCOP(=O)(Sc1ccccc1)Sc2ccccc2",{"$nulls":4},310.02510835000044,"?"]
[4144,"CC1=NOC(=C1C(O)=O)C1=CC=CC=C1","17153-21-8","Cc1noc(-c2ccccc2)c1C(=O)O","Cc1c(c(on1)-c2ccccc2)C(=O)O",{"$nulls":4},203.058243148,"?"]
[4145,"OC(=O)CN=C(O)CN=C(O)CNC(O)=N","17186-15-1","N=C(O)NCC(O)=NCC(O)=NCC(=O)O","N=C(O)NCC(O)=NCC(O)=NCC(=O)O",{"$nulls":4},232.080769484,"?"]
[4146,"CCNC(CC)C(O)=O","17199-14-3","CCNC(CC)C(=O)O","CCNC(CC)C(=O)O",{"$nulls":4},131.094628656,"?"]
[4147,null,"17199-29-0",{"$nulls":7},""]
[4148,null,"17245-63-5",{"$nulls":7},""]
[4149,null,"17303-54-7",{"$nulls":7},""]
[4150,null,"17343-27-0",{"$nulls":7},""]
[4151,"CC(C)OC(C)(C)C","17348-59-3","CC(C)OC(C)(C)C","CC(C)OC(C)(C)C",{"$nulls":4},116.120115132,"?"]
[4152,"N[CH](CC1=CC(=C(O)C(=C1)N(=O)=O)N(=O)=O)C(O)=O","17360-11-1","NC(Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(=O)O","NC(Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O",{"$nulls":4},271.04404962800027,"?"]
[4153,"CCCC(=O)OCC(O)COC(=O)CCC","17364-00-0","CCCC(=O)OCC(O)COC(=O)CCC","CCCC(=O)OCC(O)COC(=O)CCC",{"$nulls":4},232.13107374,"?"]
[4154,"CC(=O)NC(=O)CCl","17368-73-9","CC(=O)NC(=O)CCl","CC(=O)NC(=O)CCl",{"$nulls":4},135.008706112,"?"]
[4155,null,"17433-87-3",{"$nulls":7},""]
[4156,"COC1=C(C=C(C=C1C(O)=O)C(O)=O)C(O)=O","17445-86-2","COc1c(C(=O)O)cc(C(=O)O)cc1C(=O)O","COc1c(cc(cc1C(=O)O)C(=O)O)C(=O)O",{"$nulls":4},240.02700259600002,"?"]
[4157,"CCC1OC(=O)C2=CC=CC=C12","17475-41-1","CCC1OC(=O)c2ccccc21","CCC1c2c(C(O1)=O)cccc2",{"$nulls":4},162.06807956,"?"]
[4158,"CC1NC2=CC(Cl)=C(C=C2C(=O)N1C1=CC=CC=C1C)S(N)(=O)=O","17560-51-9","Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C","Cc1c(cccc1)N2C(Nc3c(C2=O)cc(S(N)(=O)=O)c(Cl)c3)C",{"$nulls":4},365.0600900520005,"?"]
[4159,"CC1=NN=C(N)N=C1C","17584-12-2","Cc1nnc(N)nc1C","Cc1c(nc(nn1)N)C",{"$nulls":4},124.07489625599999,"?"]
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[4294,null,"21462-48-6",{"$nulls":7},""]
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[4297,null,"21570-35-4",{"$nulls":7},""]
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[4299,null,"21626-90-4",{"$nulls":7},""]
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[4302,"CN1C(=O)COC2=CC=CC=C12","21744-84-3","CN1C(=O)COc2ccccc21","CN1c2c(OCC1=O)cccc2",{"$nulls":4},163.063328528,"?"]
[4303,null,"21757-82-4",{"$nulls":7},""]
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[4310,null,"22119-15-9",{"$nulls":7},""]
[4311,null,"22150-76-1",{"$nulls":7},""]
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[4316,"CNC(=O)OC1=CC=CC(=C1)N=CN(C)C","22259-30-9","CNC(=O)Oc1cccc(N=CN(C)C)c1","CNC(=O)Oc1cc(ccc1)N=CN(C)C",{"$nulls":4},221.11642672,"?"]
[4317,"COC(=O)C1=C(N)C=CS1","22288-78-4","COC(=O)c1sccc1N","COC(=O)c1c(ccs1)N",{"$nulls":4},157.019749464,"?"]
[4318,null,"22350-76-1",{"$nulls":7},""]
[4319,null,"22359-66-6",{"$nulls":7},""]
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[4322,null,"22659-18-3",{"$nulls":7},""]
[4323,null,"22659-20-7",{"$nulls":7},""]
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[4325,null,"22729-75-5",{"$nulls":7},""]
[4326,null,"22751-16-2",{"$nulls":7},""]
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[4328,"COC1=CC=C(C[CH]2NC[CH](O)[CH]2OC(C)=O)C=C1","22862-76-6","COc1ccc(CC2NCC(O)C2OC(C)=O)cc1","COc1ccc(cc1)CC2C(C(CN2)O)OC(C)=O",{"$nulls":4},265.1314080880003,"?"]
[4329,null,"22898-01-7",{"$nulls":7},""]
[4330,null,"22915-90-8",{"$nulls":7},""]
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[4333,null,"22994-85-0",{"$nulls":7},""]
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[4335,null,"23043-88-1",{"$nulls":7},""]
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[4356,null,"24093-81-0",{"$nulls":7},""]
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[4359,null,"24353-58-0",{"$nulls":7},""]
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[4383,null,"25168-26-7",{"$nulls":7},""]
[4384,null,"25264-93-1",{"$nulls":7},""]
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[4389,null,"25318-84-7",{"$nulls":7},""]
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[4391,null,"25321-09-9",{"$nulls":7},""]
[4392,null,"25321-14-6",{"$nulls":7},""]
[4393,null,"25321-22-6",{"$nulls":7},""]
[4394,null,"25322-20-7",{"$nulls":7},""]
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[4396,null,"25340-17-4",{"$nulls":7},""]
[4397,null,"25355-34-4",{"$nulls":7},""]
[4398,"CNC(=O)N(C)C1=NN=C(S1)C(F)(F)F","25366-23-8","CNC(=O)N(C)c1nnc(C(F)(F)F)s1","CNC(=O)N(C)c1sc(nn1)C(F)(F)F",{"$nulls":4},240.029266504,"?"]
[4399,"BrC=CBr","25429-23-6","BrC=CBr","BrC=CBr",{"$nulls":4},183.852324264,"?"]
[4400,"OC(=O)C=CC1=CC=C(O)C=C1","25429-38-3","O=C(O)C=Cc1ccc(O)cc1","O=C(O)C=Cc1ccc(cc1)O",{"$nulls":4},164.047344116,"?"]
[4401,null,"25498-49-1",{"$nulls":7},""]
[4402,null,"25512-42-9",{"$nulls":7},""]
[4403,null,"25550-14-5",{"$nulls":7},""]
[4404,"OC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O","25550-58-7","O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},184.012021228,"?"]
[4405,"ClC1=CC=CC(=C1)C1=C(Cl)C=CC=C1","25569-80-6","Clc1cccc(-c2ccccc2Cl)c1","Clc1cc(ccc1)-c2c(cccc2)Cl",{"$nulls":4},222.000305616,"?"]
[4406,null,"25620-62-6",{"$nulls":7},""]
[4407,null,"25640-78-2",{"$nulls":7},""]
[4408,null,"25646-09-7",{"$nulls":7},""]
[4409,"ClCC(Cl)CCl","25735-29-9","ClCC(Cl)CCl","ClCC(Cl)CCl",{"$nulls":4},145.9456832,"?"]
[4410,null,"25917-35-5",{"$nulls":7},""]
[4411,"[NH4+].CCOP([O-])(=O)C(N)=O","25954-13-6","CCOP(=O)([O-])C(N)=O","CCOP(=O)(O)C(N)=O","[NH4+]",{"$nulls":3},170.04564346200002,"Structure has been neutralized"]
[4412,"CC(C)=CC1C(C(=O)OCC2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C","26002-80-2","CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(ccc2)Oc3ccccc3)(C)C",{"$nulls":4},350.1881946920007,"?"]
[4413,"CSC1=CC(=O)C2=CC=CC=C2C1=O","26037-60-5","CSC1=CC(=O)c2ccccc2C1=O","CSC=1C(c2c(C(C1)=O)cccc2)=O",{"$nulls":4},204.024500496,"?"]
[4414,null,"26087-47-8",{"$nulls":7},""]
[4415,"CCOC1OC2=C(C=C(OS(C)(=O)=O)C=C2)C1(C)C","26225-79-6","CCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C","CCOC1C(c2c(O1)ccc(OS(C)(=O)=O)c2)(C)C",{"$nulls":4},286.0874946760005,"?"]
[4416,"BrC1=CC=C(Br)C=C1","26249-12-7","Brc1ccc(Br)cc1","Brc1ccc(cc1)Br",{"$nulls":4},233.867974328,"?"]
[4417,"CCNC1=NC(OC)=NC(NC(C)CC)=N1","26259-45-0","CCNc1nc(NC(C)CC)nc(OC)n1","CCNc1nc(nc(n1)NC(C)CC)OC",{"$nulls":4},225.15896022799998,"?"]
[4418,"CCCN(CC1CC1)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","26399-36-0","CCCN(CC1CC1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},347.1092906520004,"?"]
[4419,"CNC(=O)ON=CC1(C)SCC(C)S1","26419-73-8","CNC(=O)ON=CC1(C)SCC(C)S1","CNC(=O)ON=CC1(SC(CS1)C)C",{"$nulls":4},234.049669688,"?"]
[4420,"C*.O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1 |c:6,8,14,16,22,24,t:4,12,20,lp:2:2,4:2,11:2,18:2,m:1:6.7.8|","26444-49-5","*C","*C","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3",{"$nulls":3},{"$error":"#NUM!"},"Errors in neutralization"]
[4421,null,"26446-73-1",{"$nulls":7},""]
[4422,"CCCCCCCCN1SC=CC1=O","26530-20-1","CCCCCCCCn1sccc1=O","CCCCCCCCn1c(ccs1)=O",{"$nulls":4},213.118735228,"?"]
[4423,"ClC1=C(C=CC=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","26601-64-9","Clc1ccccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4424,"CCOP(=O)(OCC)OCC(C)C","26628-97-7","CCOP(=O)(OCC)OCC(C)C","CCOP(=O)(OCC)OCC(C)C",{"$nulls":4},210.102095718,"?"]
[4425,null,"26638-19-7",{"$nulls":7},""]
[4426,"FC(F)OC(Cl)C(F)(F)F","26675-46-7","FC(F)OC(Cl)C(F)(F)F","FC(F)OC(Cl)C(F)(F)F",{"$nulls":4},183.971433464,"?"]
[4427,"CC(=O)C(CC(O)=O)=CC1=CC=CC=C1","26717-32-8","CC(=O)C(=Cc1ccccc1)CC(=O)O","CC(=O)C(=Cc1ccccc1)CC(=O)O",{"$nulls":4},204.078644244,"?"]
[4428,"COC(=O)C=C(C)OP(=O)(OC)OC","26718-65-0","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",{"$nulls":4},224.044974766,"?"]
[4429,"O=C(NC1=CC=CC=C1)NC1=CC=CC=C1","26763-63-3","O=C(Nc1ccccc1)Nc1ccccc1","O=C(Nc1ccccc1)Nc2ccccc2",{"$nulls":4},212.094963004,"?"]
[4430,null,"26767-88-4",{"$nulls":7},""]
[4431,null,"26786-28-7",{"$nulls":7},""]
[4432,null,"26856-30-4",{"$nulls":7},""]
[4433,null,"26914-33-0",{"$nulls":7},""]
[4434,null,"26952-21-6",{"$nulls":7},""]
[4435,null,"26952-23-8",{"$nulls":7},""]
[4436,null,"26962-26-5",{"$nulls":7},""]
[4437,"OC(N=C(O)C1=CN=CC=C1)=NC1=CC=CC=C1","26972-01-0","OC(=Nc1ccccc1)N=C(O)c1cccnc1","OC(=Nc1ccccc1)N=C(O)c2cnccc2",{"$nulls":4},241.085126592,"?"]
[4438,null,"27038-96-6",{"$nulls":7},""]
[4439,"CC(COCC(C)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1","27138-31-4","CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c1ccccc1","CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c2ccccc2",{"$nulls":4},342.14672380400066,"?"]
[4440,"NC1=CC=C(C=C1)S(=O)(=O)C1=CC=CC=C1N","27147-69-9","Nc1ccc(S(=O)(=O)c2ccccc2N)cc1","Nc1ccc(cc1)S(=O)(=O)c2c(cccc2)N",{"$nulls":4},248.061948624,"?"]
[4441,null,"27154-44-5",{"$nulls":7},""]
[4442,null,"27178-16-1",{"$nulls":7},""]
[4443,null,"27196-00-5",{"$nulls":7},""]
[4444,"CNC1=C(Cl)C(=O)N(N=C1)C1=CC=CC(=C1)C(F)(F)F","27314-13-2","CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl","CNc1c(c(n(nc1)-c2cc(ccc2)C(F)(F)F)=O)Cl",{"$nulls":4},303.03862424800025,"?"]
[4445,null,"27321-61-5",{"$nulls":7},""]
[4446,"ClC1=C(Cl)C(Cl)=C(Cl)C2=C1COC2=O","27355-22-2","O=C1OCc2c(Cl)c(Cl)c(Cl)c(Cl)c21","O=C1c2c(CO1)c(Cl)c(Cl)c(Cl)c2Cl",{"$nulls":4},269.88089002400005,"?"]
[4447,"CCOC(=O)CC1=C2C=C(Cl)C=CC2=NN1","27512-72-7","CCOC(=O)Cc1[nH]nc2ccc(Cl)cc12","CCOC(=O)Cc1c2c(n[nH]1)ccc(Cl)c2",{"$nulls":4},238.050905272,"?"]
[4448,"ClC(Cl)C(=O)NC1=C(Cl)C(=O)C2=CC=CC=C2C1=O","27541-88-4","O=C1C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c2ccccc21","O=C1c2c(C(C(=C1Cl)NC(=O)C(Cl)Cl)=O)cccc2",{"$nulls":4},316.9413260920001,"?"]
[4449,null,"27554-26-3",{"$nulls":7},""]
[4450,null,"27563-65-1",{"$nulls":7},""]
[4451,"C=CCOC1=NS(=O)(=O)C2=CC=CC=C12","27605-76-1","C=CCOC1=NS(=O)(=O)c2ccccc21","C=CCOC=1c2c(S(N1)(=O)=O)cccc2",{"$nulls":4},223.030314148,"?"]
[4452,null,"27762-78-3",{"$nulls":7},""]
[4453,null,"27858-07-7",{"$nulls":7},""]
[4454,"CCC(CC(CC)C(O)=O)C(O)=O","27899-21-4","CCC(CC(CC)C(=O)O)C(=O)O","CCC(CC(CC)C(=O)O)C(=O)O",{"$nulls":4},188.104858992,"?"]
[4455,null,"28022-64-2",{"$nulls":7},""]
[4456,"CC(C)*.O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1 |c:8,10,16,18,24,26,t:6,14,22,lp:4:2,6:2,13:2,20:2,m:3:15.16.17|","28108-99-8","*C(C)C","*C(C)C","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3",{"$nulls":3},{"$error":"#NUM!"},"?"]
[4457,"SC1=NC=C2N=CN=C2N1","28128-19-0","Sc1ncc2ncnc-2[nH]1","Sc1[nH]c2-c(cn1)ncn2",{"$nulls":4},152.015667128,"?"]
[4458,"OC1=C(C(C2=CC=CC=C2)=C(C=C1)N(=O)=O)N(=O)=O","28174-58-5","O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1-c1ccccc1","O=[N+]([O-])c1c(c(c(cc1)O)[N+](=O)[O-])-c2ccccc2",{"$nulls":4},260.04332135600015,"?"]
[4459,"CN(C)C(=S)NC1=C(C)C=C(Cl)C=C1","28217-97-2","Cc1cc(Cl)ccc1NC(=S)N(C)C","Cc1c(ccc(c1)Cl)NC(=S)N(C)C",{"$nulls":4},228.048797096,"?"]
[4460,"CCN(CC)C(=O)SCC1=CC=C(Cl)C=C1","28249-77-6","CCN(CC)C(=O)SCc1ccc(Cl)cc1","CCN(CC)C(=O)SCc1ccc(cc1)Cl",{"$nulls":4},257.064112812,"?"]
[4461,null,"28260-61-9",{"$nulls":7},""]
[4462,"ClC1=CC=CC(Cl)=C1OC1=CC=CC=C1","28419-69-4","Clc1cccc(Cl)c1Oc1ccccc1","Clc1c(c(ccc1)Cl)Oc2ccccc2",{"$nulls":4},237.995220236,"?"]
[4463,"CC(C)=C[CH]1[CH](C(=O)OCC2=COC(CC3=CC=CC=C3)=C2)C1(C)C","28434-01-7","CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C",{"$nulls":4},338.1881946920007,"?"]
[4464,"OC(=O)[CH]1CC[CH](SS1)C(O)=O","28463-60-7","O=C(O)C1CCC(C(=O)O)SS1","O=C(O)C1SSC(CC1)C(=O)O",{"$nulls":4},207.986400736,"?"]
[4465,"CN1C=C(C(=O)NC1=O)[N+]([O-])=O","28495-88-7","Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O","Cn1c([nH]c(c(c1)[N+](=O)[O-])=O)=O",{"$nulls":4},171.02800564,"?"]
[4466,"C*.C*.CCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC |c:15,17,t:13,lp:12:2,14:2,22:2,23:2,m:1:24.25.26.27.28.29.30,3:5.6.7.8.9.10.11|","28553-12-0","*C","*C","C*","CCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC",null,null,{"$error":"#NUM!"},"Errors in neutralization"]
[4467,null,"28587-41-9",{"$nulls":7},""]
[4468,null,"28587-42-0",{"$nulls":7},""]
[4469,null,"28779-08-0",{"$nulls":7},""]
[4470,null,"29016-74-8",{"$nulls":7},""]
[4471,null,"29063-28-3",{"$nulls":7},""]
[4472,"CCN(CC)C1=C(C=C(C(N)=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","29091-05-2","CCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]","CCN(CC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]",{"$nulls":4},322.0888895560003,"?"]
[4473,"CCCN(CCC)C1=C(C(N)=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","29091-21-2","CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]","CCCN(CCC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]",{"$nulls":4},350.1201896840004,"?"]
[4474,"CCON=C(OC(=O)C1=CC=CC=C1)C1=C(OC)C=CC(Cl)=C1OC","29104-30-1","CCON=C(OC(=O)c1ccccc1)c1c(OC)ccc(Cl)c1OC","CCON=C(OC(=O)c1ccccc1)c2c(c(ccc2OC)Cl)OC",{"$nulls":4},363.08735035600046,"?"]
[4475,"CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1","29122-68-7","CC(C)NCC(O)COc1ccc(CC(N)=O)cc1","CC(C)NCC(O)COc1ccc(cc1)CC(N)=O",{"$nulls":4},266.1630425640003,"?"]
[4476,"CCC(CC)(C(N)=O)C(N)=O","29141-71-7","CCC(CC)(C(N)=O)C(N)=O","CCC(CC)(C(N)=O)C(N)=O",{"$nulls":4},158.105527688,"?"]
[4477,null,"29173-31-7",{"$nulls":7},""]
[4478,"CCN(CC)C1=NC(OP(=S)(OC)OC)=CC(C)=N1","29232-93-7","CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1","CCN(CC)c1nc(cc(n1)C)OP(=S)(OC)OC",{"$nulls":4},305.09629913000055,"?"]
[4479,null,"29253-36-9",{"$nulls":7},""]
[4480,"CCCCCCCCCCCCCCCCO","29354-98-1","CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCO",{"$nulls":4},242.260965708,"?"]
[4481,null,"29415-97-2",{"$nulls":7},""]
[4482,"ClC1=C(Cl)C=C2OC3=CC=CC=C3OC2=C1","29446-15-9","Clc1cc2c(cc1Cl)Oc1ccccc1O2","Clc1c(cc2c(c1)Oc3c(O2)cccc3)Cl",{"$nulls":4},251.974484792,"?"]
[4483,null,"29475-97-6",{"$nulls":7},""]
[4484,null,"29482-83-5",{"$nulls":7},""]
[4485,"ON(C(=O)C1=CC=CC2=CC=CC=C12)C1=CC=CC=C1","29556-17-0","O=C(c1cccc2ccccc12)N(O)c1ccccc1","O=C(c1c2c(ccc1)cccc2)N(O)c3ccccc3",{"$nulls":4},263.0946286560002,"?"]
[4486,"ON(C(=O)C1=CC=CC=C1)C1=CC=CC2=CC=CC=C12","29556-18-1","O=C(c1ccccc1)N(O)c1cccc2ccccc12","O=C(c1ccccc1)N(O)c2c3c(ccc2)cccc3",{"$nulls":4},263.0946286560002,"?"]
[4487,null,"29556-22-7",{"$nulls":7},""]
[4488,null,"29588-10-1",{"$nulls":7},""]
[4489,"NC(=S)SCC(O)=O","29596-83-6","NC(=S)SCC(=O)O","NC(=S)SCC(=O)O",{"$nulls":4},150.9761704,"?"]
[4490,null,"29677-65-4",{"$nulls":7},""]
[4491,"OC(=NCCC1=CN=CN1)C1=CC=CC=C1","29677-71-2","OC(=NCCc1cnc[nH]1)c1ccccc1","OC(=NCCc1[nH]cnc1)c2ccccc2",{"$nulls":4},215.105862036,"?"]
[4492,"C*.CCCCCCCCCOP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 |c:16,18,24,26,t:14,22,lp:11:2,13:2,14:2,21:2,m:1:10.9.8.7.6.5.4.3|","29761-21-5","*C","*C","CCCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2",{"$nulls":3},{"$error":"#NUM!"},"Errors in neutralization"]
[4493,"CCCOCC(C)OCC(C)O","29911-27-1","CCCOCC(C)OCC(C)O","CCCOCC(C)OCC(C)O",{"$nulls":4},176.1412445,"?"]
[4494,"CCCCOCC(C)OCC(C)O","29911-28-2","CCCCOCC(C)OCC(C)O","CCCCOCC(C)OCC(C)O",{"$nulls":4},190.156894564,"?"]
[4495,null,"29919-17-3",{"$nulls":7},""]
[4496,"CCSCC1=C(OC(=O)NC)C=CC=C1","29973-13-5","CCSCc1ccccc1OC(=O)NC","CCSCc1c(cccc1)OC(=O)NC",{"$nulls":4},225.08234972,"?"]
[4497,null,"30031-64-2",{"$nulls":7},""]
[4498,"CCS(=O)(=O)C1=NN=C(S1)N(C)C(=O)NC","30043-49-3","CCS(=O)(=O)c1nnc(N(C)C(=O)NC)s1","CCS(=O)(=O)c1sc(nn1)N(C)C(=O)NC",{"$nulls":4},264.0350822440002,"?"]
[4499,null,"30129-83-0",{"$nulls":7},""]
[4500,null,"30236-28-3",{"$nulls":7},""]
[4501,null,"30365-50-5",{"$nulls":7},""]
[4502,null,"30368-49-1",{"$nulls":7},""]
[4503,null,"30368-50-4",{"$nulls":7},""]
[4504,"CCC1CCC(O)O1","30414-44-9","CCC1CCC(O)O1","CCC1OC(CC1)O",{"$nulls":4},116.083729624,"?"]
[4505,null,"30419-67-1",{"$nulls":7},""]
[4506,null,"30483-86-4",{"$nulls":7},""]
[4507,"CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO)O2)C(=O)NC1=O","30516-87-1","Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O","Cc1c([nH]c(n(c1)C2OC(C(C2)N=[N+]=[N-])CO)=O)=O",{"$nulls":4},267.09675389600034,"?"]
[4508,"OCCOCCOC(=O)C1=C(NC2=CC=CC(=C2)C(F)(F)F)C=CC=C1","30544-47-9","O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1","O=C(OCCOCCO)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F",{"$nulls":4},369.1187927160005,"?"]
[4509,"COP(=O)(NC(C)=O)SC","30560-19-1","COP(=O)(NC(C)=O)SC","COP(=O)(NC(C)=O)SC",{"$nulls":4},183.01190081,"?"]
[4510,"COC1=NC=NC2=C1N=CC=N2","30564-38-6","COc1ncnc2nccnc12","COc1c2c(ncn1)nccn2",{"$nulls":4},162.054160812,"?"]
[4511,"C(CC1=CC=CC=C1)CC1=CC=CC=N1.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","30725-71-4","O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]","C(Cc1ccccc1)Cc2ccccn2",{"$nulls":3},426.11754891600003,"?"]
[4512,"ClC1=C(Cl)C2=C(OC3=CC=CC=C3O2)C(Cl)=C1Cl","30746-58-8","Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1ccccc1O2","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)cccc3)Cl",{"$nulls":4},319.8965400880001,"?"]
[4513,"C1C2=CC=CC=C2C2=CC=C3C=CC=CC3=C12","30777-18-5","c1ccc2c(c1)Cc1c-2ccc2ccccc12","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4",{"$nulls":4},216.093900384,"?"]
[4514,"C1C2=CC=CC=C2C2=C1C=C1C=CC=CC1=C2","30777-19-6","c1ccc2c(c1)Cc1cc3ccccc3cc1-2","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3",{"$nulls":4},216.093900384,"?"]
[4515,null,"30864-28-9",{"$nulls":7},""]
[4516,"CN(CCO)C1=NC2=C(N1C)C(=O)N(C)C(=O)N2C","30924-31-3","CN(CCO)c1nc2c(c(=O)n(C)c(=O)n2C)n1C","CN(CCO)c1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",{"$nulls":4},267.1331394040003,"?"]
[4517,null,"30952-65-9",{"$nulls":7},""]
[4518,"CC(C)CNC(=O)N1CCNC1=O","30979-48-7","CC(C)CNC(=O)N1CCNC1=O","CC(C)CNC(=O)N1C(NCC1)=O",{"$nulls":4},185.11642672,"?"]
[4519,"CC1=CSC(=S)N1CC(O)=O","31090-12-7","Cc1csc(=S)n1CC(=O)O","Cc1n(c(sc1)=S)CC(=O)O",{"$nulls":4},188.991820464,"?"]
[4520,"CN(C(C)=O)C1=C(I)C(NC(C)=O)=C(I)C(C(=O)N[CH]2C(O)O[CH](CO)[CH](O)[CH]2O)=C1I","31112-62-6","CC(=O)Nc1c(I)c(C(=O)NC2C(O)OC(CO)C(O)C2O)c(I)c(N(C)C(C)=O)c1I","CC(=O)Nc1c(c(c(c(c1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(C)=O)I",{"$nulls":4},788.8541086640007,"?"]
[4521,"CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C","31218-83-4","CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C","CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C",{"$nulls":4},281.0850657500006,"?"]
[4522,null,"31293-71-7",{"$nulls":7},""]
[4523,null,"31355-01-8",{"$nulls":7},""]
[4524,"CCCCC(C)C(C)O","31367-46-1","CCCCC(C)C(C)O","CCCCC(C)C(C)O",{"$nulls":4},130.135765196,"?"]
[4525,"COC(=O)NC1=NC2=C(N1)C=CC(=C2)C(=O)C1=CC=CC=C1","31431-39-7","COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1","COC(=O)Nc1[nH]c2c(n1)cc(C(=O)c3ccccc3)cc2",{"$nulls":4},295.09569127600037,"?"]
[4526,null,"31508-00-6",{"$nulls":7},""]
[4527,"CC1=CC2=CC=CC3=C2C2=C(C=C3)C3=CC=CC=C3C=C12","31647-36-6","Cc1cc2cccc3ccc4c5ccccc5cc1c4c32","Cc1c2cc3c(c4ccc5cccc(c1)c5c42)cccc3",{"$nulls":4},266.1095504480003,"?"]
[4528,null,"31906-04-4",{"$nulls":7},""]
[4529,null,"32241-08-0",{"$nulls":7},""]
[4530,"NC1=C(O)C(O)=NC(=N)N1","32267-39-3","N=c1nc(O)c(O)c(N)[nH]1","N=c1[nH]c(c(c(n1)O)O)N",{"$nulls":4},142.049075432,"?"]
[4531,"OC(=O)C1=C(Cl)C(Cl)=C(Cl)O1","32417-81-5","O=C(O)c1oc(Cl)c(Cl)c1Cl","O=C(O)c1c(c(c(o1)Cl)Cl)Cl",{"$nulls":4},213.899126932,"?"]
[4532,"CCCCCCC(CC=CCCCCCCCC(O)=O)OS(O)(=O)=O","32430-00-5","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O",{"$nulls":4},378.2076098080009,"?"]
[4533,null,"32431-29-1",{"$nulls":7},""]
[4534,"O[CH]1O[CH]2[CH](O)C(=O)O[CH]2[CH]1O","32449-92-6","O=C1OC2C(O)C(O)OC2C1O","O=C1C(C2C(O1)C(O)C(O)O2)O",{"$nulls":4},176.032087976,"?"]
[4535,"OC(=O)C1=C(Br)C(Br)=CO1","32460-04-1","O=C(O)c1occ(Br)c1Br","O=C(O)c1c(c(co1)Br)Br",{"$nulls":4},267.83706812400004,"?"]
[4536,"CC1=CSC(=O)N1","32497-10-2","Cc1csc(=O)[nH]1","Cc1[nH]c(sc1)=O",{"$nulls":4},115.00918478,"?"]
[4537,"NC(C(O)C(O)=O)C(O)=N","32503-98-3","N=C(O)C(N)C(O)C(=O)O","N=C(O)C(N)C(O)C(=O)O",{"$nulls":4},148.048406736,"?"]
[4538,"CCC1=CN=C(O)NC1=N","32550-24-6","CCc1cnc(O)[nH]c1=N","CCc1c([nH]c(nc1)O)=N",{"$nulls":4},139.074561908,"?"]
[4539,"ClC1=CC(Cl)=C(C=C1)C1=CC(Cl)=C(Cl)C=C1","32598-10-0","Clc1ccc(-c2ccc(Cl)c(Cl)c2)c(Cl)c1","Clc1cc(c(cc1)-c2cc(c(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4540,"ClC1=CC(=C(Cl)C=C1)C1=CC(Cl)=C(Cl)C=C1","32598-11-1","Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4541,"ClC1=CC=C(C=C1)C1=C(Cl)C=C(Cl)C=C1Cl","32598-12-2","Clc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(cc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4542,"ClC1=C(Cl)C=C(C=C1)C1=CC(Cl)=C(Cl)C=C1","32598-13-3","Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1Cl","Clc1c(cc(cc1)-c2cc(c(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4543,"ClC1=C(Cl)C=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1","32598-14-4","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4544,null,"32620-68-1",{"$nulls":7},""]
[4545,null,"32620-72-7",{"$nulls":7},""]
[4546,"ClC1=CC=C(C=C1)C1=C(Cl)C=C(Cl)C(Cl)=C1","32690-93-0","Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4547,"OC(=O)[CH]1CC[CH](SS1)C(O)=O","32737-66-9","O=C(O)C1CCC(C(=O)O)SS1","O=C(O)C1SSC(CC1)C(=O)O",{"$nulls":4},207.986400736,"?"]
[4548,null,"32754-29-3",{"$nulls":7},""]
[4549,null,"32774-16-6",{"$nulls":7},""]
[4550,"CC12CC1(C)C(=O)N(C2=O)C1=CC(Cl)=CC(Cl)=C1","32809-16-8","CC12CC1(C)C(=O)N(c1cc(Cl)cc(Cl)c1)C2=O","CC12C(C1)(C)C(=O)N(c3cc(cc(c3)Cl)Cl)C2=O",{"$nulls":4},283.01668395200034,"?"]
[4551,null,"32861-85-1",{"$nulls":7},""]
[4552,"OC(=O)C=CC1=CC(Br)=CC=C1","32862-97-8","O=C(O)C=Cc1cccc(Br)c1","O=C(O)C=Cc1cc(ccc1)Br",{"$nulls":4},225.962941564,"?"]
[4553,"ClC1=CC=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1","33025-41-1","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4554,"CN(C=NC1=C(C)C=C(C)C=C1)C=NC1=C(C)C=C(C)C=C1","33089-61-1","Cc1ccc(N=CN(C)C=Nc2ccc(C)cc2C)c(C)c1","Cc1cc(c(cc1)N=CN(C)C=Nc2c(cc(cc2)C)C)C",{"$nulls":4},293.18919773600066,"?"]
[4555,"ClC1=CC(Cl)=C(Cl)C(Cl)=C1C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","33091-17-7","Clc1cc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4556,"CCC1=CC=CC=C1NC(C)=O","33098-65-6","CCc1ccccc1NC(C)=O","CCc1c(cccc1)NC(C)=O",{"$nulls":4},163.099714036,"?"]
[4557,"ClC1=CC=CC(Cl)=C1C1=CC=CC=C1","33146-45-1","Clc1cccc(Cl)c1-c1ccccc1","Clc1c(c(ccc1)Cl)-c2ccccc2",{"$nulls":4},222.000305616,"?"]
[4558,"ClC1=C(Cl)[C]2(Cl)[CH]3COS(=O)OC[CH]3[C]1(Cl)C2(Cl)Cl","33213-65-9","O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},403.81688113200016,"?"]
[4559,"CCCN(CCCl)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","33245-39-5","CCCN(CCCl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},355.05466823600034,"?"]
[4560,"ClC1=CC(Cl)=C(C=C1)C1=CC=CC=C1","33284-50-3","Clc1ccc(-c2ccccc2)c(Cl)c1","Clc1cc(c(cc1)-c2ccccc2)Cl",{"$nulls":4},222.000305616,"?"]
[4561,"ClC1=CC(=CC(Cl)=C1)C1=CC(Cl)=CC(Cl)=C1","33284-52-5","Clc1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4562,null,"33284-53-6",{"$nulls":7},""]
[4563,"ClC1=CC(Cl)=C(Cl)C(=C1Cl)C1=CC=CC=C1","33284-54-7","Clc1cc(Cl)c(Cl)c(-c2ccccc2)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2ccccc2)Cl",{"$nulls":4},289.92236091200016,"?"]
[4564,null,"33376-25-9",{"$nulls":7},""]
[4565,null,"33423-92-6",{"$nulls":7},""]
[4566,null,"33492-49-8",{"$nulls":7},""]
[4567,null,"33601-90-0",{"$nulls":7},""]
[4568,"CCC(C)NC1=C(C=C(C=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O","33629-47-9","CCC(C)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]","CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]",{"$nulls":4},295.15320615200056,"?"]
[4569,"CCNC1=NC(OC)=NC(NC(C)(C)C)=N1","33693-04-8","CCNc1nc(NC(C)(C)C)nc(OC)n1","CCNc1nc(nc(n1)NC(C)(C)C)OC",{"$nulls":4},225.15896022799998,"?"]
[4570,"CC(=O)C1=CC(O)=C(O)C(O)=C1","33709-29-4","CC(=O)c1cc(O)c(O)c(O)c1","CC(=O)c1cc(c(c(c1)O)O)O",{"$nulls":4},168.042258736,"?"]
[4571,null,"33739-01-4",{"$nulls":7},""]
[4572,"CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(C)C)[N+]([O-])=O","33820-53-0","CCCN(CCC)c1c([N+](=O)[O-])cc(C(C)C)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-]",{"$nulls":4},309.1688562160006,"?"]
[4573,"ClC1=CC2=C(OC3=C(O2)C=CC(Cl)=C3)C=C1","33857-26-0","Clc1ccc2c(c1)Oc1ccc(Cl)cc1O2","Clc1cc2c(cc1)Oc3c(O2)ccc(Cl)c3",{"$nulls":4},251.974484792,"?"]
[4574,"NNP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1","33862-44-1","NNP(=O)(Oc1ccccc1)Oc1ccccc1","NNP(=O)(Oc1ccccc1)Oc2ccccc2",{"$nulls":4},264.06637890600024,"?"]
[4575,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=C(Cl)C=C(Cl)C=C1Cl","33979-03-2","Clc1cc(Cl)c(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4576,"CNC(=O)N(C)C1=NN=C(S1)C(C)(C)C","34014-18-1","CNC(=O)N(C)c1nnc(C(C)(C)C)s1","CNC(=O)N(C)c1sc(nn1)C(C)(C)C",{"$nulls":4},228.104482132,"?"]
[4577,null,"34097-60-4",{"$nulls":7},""]
[4578,"CCSC(=S)N[CH](C)C(O)=O","34101-08-1","CCSC(=S)NC(C)C(=O)O","CCSC(=S)NC(C)C(=O)O",{"$nulls":4},193.023120592,"?"]
[4579,"CC(C)C1=CC=C(NC(=O)N(C)C)C=C1","34123-59-6","CC(C)c1ccc(NC(=O)N(C)C)cc1","CC(C)c1ccc(cc1)NC(=O)N(C)C",{"$nulls":4},206.141913196,"?"]
[4580,"OC(=O)C1=CC(Br)=CC(C(O)=O)=C1C(O)=O","34163-34-3","O=C(O)c1cc(Br)cc(C(=O)O)c1C(=O)O","O=C(O)c1c(c(cc(c1)Br)C(=O)O)C(=O)O",{"$nulls":4},287.92694998000013,"?"]
[4581,null,"34168-73-5",{"$nulls":7},""]
[4582,"COC1=CC=C(C=C1)C(C(C)N(=O)=O)C1=CC=C(OC)C=C1","34197-26-7","COc1ccc(C(c2ccc(OC)cc2)C(C)[N+](=O)[O-])cc1","COc1ccc(cc1)C(c2ccc(cc2)OC)C(C)[N+](=O)[O-]",{"$nulls":4},301.1314080880005,"?"]
[4583,"CN(C)C(O)=NC1=CC(Cl)=C(C=C1)N1N=C(OC1=O)C(C)(C)C","34205-21-5","CN(C)C(O)=Nc1ccc(-n2nc(C(C)(C)C)oc2=O)c(Cl)c1","CN(C)C(O)=Nc1cc(c(cc1)-n2c(oc(n2)C(C)(C)C)=O)Cl",{"$nulls":4},338.1145681480005,"?"]
[4584,"CCOCN(C(=O)CCl)C1=C(CC)C=CC=C1C","34256-82-1","CCOCN(C(=O)CCl)c1c(C)cccc1CC","CCOCN(C(=O)CCl)c1c(cccc1C)CC",{"$nulls":4},269.11825656000036,"?"]
[4585,null,"34364-42-6",{"$nulls":7},""]
[4586,null,"34392-82-0",{"$nulls":7},""]
[4587,null,"34462-96-9",{"$nulls":7},""]
[4588,null,"34465-46-8",{"$nulls":7},""]
[4589,null,"34472-57-6",{"$nulls":7},""]
[4590,null,"34494-03-6",{"$nulls":7},""]
[4591,null,"34590-94-8",{"$nulls":7},""]
[4592,"CCN(CC)C(=O)SCC1=CC=CC=C1Cl","34622-58-7","CCN(CC)C(=O)SCc1ccccc1Cl","CCN(CC)C(=O)SCc1c(cccc1)Cl",{"$nulls":4},257.064112812,"?"]
[4593,"CCCSP(=S)(OCC)OC1=C(Cl)C=C(Cl)C=C1","34643-46-4","CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl","CCCSP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl",{"$nulls":4},343.96281371000043,"?"]
[4594,"CNC(=O)ON=C(C)C(C)SC","34681-10-2","CNC(=O)ON=C(C)C(C)SC","CNC(=O)ON=C(C)C(C)SC",{"$nulls":4},190.077598688,"?"]
[4595,"CNC(=O)ON=C(C)C(C)S(C)(=O)=O","34681-23-7","CNC(=O)ON=C(C)C(C)S(C)(=O)=O","CNC(=O)ON=C(C)C(C)S(C)(=O)=O",{"$nulls":4},222.067427928,"?"]
[4596,"COP(=O)(OC)OC1=C(Cl)C2C=CCC12","34783-40-9","COP(=O)(OC)OC1=C(Cl)C2C=CCC12","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2",{"$nulls":4},250.01617317400002,"?"]
[4597,null,"34833-00-6",{"$nulls":7},""]
[4598,null,"34861-84-2",{"$nulls":7},""]
[4599,null,"34866-32-5",{"$nulls":7},""]
[4600,"ClC1=CC(=C(Cl)C=C1)C1=CC=CC=C1","34883-39-1","Clc1ccc(Cl)c(-c2ccccc2)c1","Clc1cc(c(cc1)Cl)-c2ccccc2",{"$nulls":4},222.000305616,"?"]
[4601,"ClC1=CC=C(C=C1)C1=C(Cl)C=CC=C1","34883-43-7","Clc1ccc(-c2ccccc2Cl)cc1","Clc1ccc(cc1)-c2c(cccc2)Cl",{"$nulls":4},222.000305616,"?"]
[4602,null,"34900-10-2",{"$nulls":7},""]
[4603,null,"34914-39-1",{"$nulls":7},""]
[4604,"ClC1=CC(Cl)=C(C=C1Cl)C1=CC(Cl)=C(Cl)C=C1Cl","35065-27-1","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4605,"ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1","35065-28-2","Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4606,"ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1","35065-29-3","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4607,"ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1","35065-30-6","Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4608,null,"35224-54-5",{"$nulls":7},""]
[4609,"CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C","35256-85-0","CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C","CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C",{"$nulls":4},233.177964356,"?"]
[4610,"OC(=O)CCCNC(=O)C1=CC=CC=C1","35340-63-7","O=C(O)CCCNC(=O)c1ccccc1","O=C(O)CCCNC(=O)c1ccccc1",{"$nulls":4},207.089543276,"?"]
[4611,"FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C=C1","35367-38-5","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)cc1","O=C(NC(=O)c1c(cccc1F)F)Nc2ccc(cc2)Cl",{"$nulls":4},310.03206164800025,"?"]
[4612,null,"35392-80-4",{"$nulls":7},""]
[4613,"CCCSP(=S)(OCC)OC1=CC=C(SC)C=C1","35400-43-2","CCCSP(=S)(OCC)Oc1ccc(SC)cc1","CCCSP(=S)(OCC)Oc1ccc(cc1)SC",{"$nulls":4},322.0284794780006,"?"]
[4614,"CC1=CC(O)=C(C=C1Cl)C(O)=O","35458-35-6","Cc1cc(O)c(C(=O)O)cc1Cl","Cc1c(cc(c(c1)O)C(=O)O)Cl",{"$nulls":4},186.008371764,"?"]
[4615,"ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC=C","35554-44-0","C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl","C=CCOC(Cn1cncc1)c2c(cc(cc2)Cl)Cl",{"$nulls":4},296.04831842800036,"?"]
[4616,"C[CH](NC(=O)[CH](C)NC(=O)[CH](N)CCP(C)(O)=O)C(O)=O","35597-43-4","CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O","CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O",{"$nulls":4},323.12462205400055,"?"]
[4617,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=CC=CC=C1","35693-92-6","Clc1cc(Cl)c(-c2ccccc2)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2ccccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4618,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C=CC(Cl)=C1","35693-99-3","Clc1ccc(Cl)c(-c2cc(Cl)ccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(ccc(c2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4619,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1","35694-06-5","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4620,"ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1","35694-08-7","Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4621,null,"35763-45-2",{"$nulls":7},""]
[4622,null,"35781-54-5",{"$nulls":7},""]
[4623,"ClC1=C(Cl)C(Cl)=C2OC3=C(OC2=C1)C(Cl)=C(Cl)C(Cl)=C3Cl","35822-46-9","Clc1cc2c(c(Cl)c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(c(c2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",{"$nulls":4},421.779623032,"?"]
[4624,"ClC1=C2OC3=C(OC2=CC=C1)C(Cl)=C(Cl)C(Cl)=C3Cl","36088-22-9","Clc1cccc2c1Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c2c(ccc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl",{"$nulls":4},353.8575677360001,"?"]
[4625,"CN1C(C(=O)NC2=NC=CC=C2)=C(O)C2=C(C=CC=C2)S1(=O)=O","36322-90-4","CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O","CN1S(c2c(C(=C1C(=O)Nc3ncccc3)O)cccc2)(=O)=O",{"$nulls":4},331.0626768960003,"?"]
[4626,"OC(=O)CCC(=O)C1=CC=C(C=C1)C1=CC=CC=C1","36330-85-5","O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1","O=C(O)CCC(=O)c1ccc(cc1)-c2ccccc2",{"$nulls":4},254.094294308,"?"]
[4627,"CCOP(=S)(NC(C)CC)OC1=C(C=CC(C)=C1)[N+]([O-])=O","36335-67-8","CCOP(=S)(NC(C)CC)Oc1cc(C)ccc1[N+](=O)[O-]","CCOP(=S)(NC(C)CC)Oc1c(ccc(c1)C)[N+](=O)[O-]",{"$nulls":4},332.0959647820005,"?"]
[4628,"Cl*.Cl*.C1=CC=C(C=C1)C1=CC=CC=C1 |c:2,4,6,11,13,t:9,lp:0:3,2:3,m:1:11.12.13.14.15,3:4.5.6.8.9,Sg:n:0:x:ht,Sg:n:2:y:ht|","36355-01-8","*Cl","*Cl","Cl*","c1ccc(cc1)-c2ccccc2",null,null,{"$error":"#NUM!"},"Errors in neutralization"]
[4629,null,"36483-60-0",{"$nulls":7},""]
[4630,"CCOP(=O)(OC1=C(Cl)C=C(Cl)C=C1)OC1=C(Cl)C=C(Cl)C=C1","36519-00-3","CCOP(=O)(Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl","CCOP(=O)(Oc1c(cc(cc1)Cl)Cl)Oc2c(cc(cc2)Cl)Cl",{"$nulls":4},413.91490618200027,"?"]
[4631,"ClC1=CC(Cl)=C(C=C1)C1=CC=CC(Cl)=C1Cl","36559-22-5","Clc1ccc(-c2cccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(ccc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4632,null,"36566-80-0",{"$nulls":7},""]
[4633,"COP(=S)(OC)SCCSC(C)C","36614-38-7","COP(=S)(OC)SCCSC(C)C","COP(=S)(OC)SCCSC(C)C",{"$nulls":4},260.0128294140001,"?"]
[4634,"CCCCCCC(CC=CCCCCCCCC(O)=O)OS(O)(=O)=O","36634-48-7","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O",{"$nulls":4},378.2076098080009,"?"]
[4635,"CCCCCCCCCCCCCCCCO","36653-82-4","CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCO",{"$nulls":4},242.260965708,"?"]
[4636,"CC(C)NC(=O)N1CC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1","36734-19-7","CC(C)NC(=O)N1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CC(C)NC(=O)N1C(N(C(C1)=O)c2cc(cc(c2)Cl)Cl)=O",{"$nulls":4},329.03339663600036,"?"]
[4637,"CCC(C)N(C(C)CC)C(=O)SCC1=CC=CC=C1","36756-79-3","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC",{"$nulls":4},279.1656854200006,"?"]
[4638,null,"36765-01-2",{"$nulls":7},""]
[4639,"NC(=O)C1=NN(C=N1)[CH]1O[CH](CO)[CH](O)[CH]1O","36791-04-5","NC(=O)c1ncn(C2OC(CO)C(O)C2O)n1","NC(=O)c1nn(cn1)C2C(C(C(O2)CO)O)O",{"$nulls":4},244.080769484,"?"]
[4640,"CC(CCC1=CC=CC=C1)NCC(O)C1=CC=C(O)C(=C1)C(N)=O","36894-69-6","CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1","CC(CCc1ccccc1)NCC(O)c2cc(c(cc2)O)C(N)=O",{"$nulls":4},328.1786926280007,"?"]
[4641,"CCCCCCCCCOC(=O)C1=CC=C(N)C=C1","37139-21-2","CCCCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCCCOC(=O)c1ccc(cc1)N",{"$nulls":4},263.1885290400002,"?"]
[4642,"OC[CH]1C[CH](N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O","37248-47-8","OCC1=CC(NC2CC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O","OCC=1C(C(C(C(C1)NC2C(C(C(C(C2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O",{"$nulls":4},497.21084018000084,"?"]
[4643,"COCCC1=CC=C(OCC(O)CNC(C)C)C=C1","37350-58-6","COCCc1ccc(OCC(O)CNC(C)C)cc1","COCCc1ccc(cc1)OCC(O)CNC(C)C",{"$nulls":4},267.1834436600003,"?"]
[4644,"ON(C(=O)C1=CC=CC=C1I)C1=CC=CC=C1","37433-80-0","O=C(c1ccccc1I)N(O)c1ccccc1","O=C(c1c(cccc1)I)N(O)c2ccccc2",{"$nulls":4},338.97562656000025,"?"]
[4645,"NCC[CH](O)C(=O)N[CH]1C[CH](N)[CH](O[CH]2O[CH](CN)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O[CH]1O[CH](CO)[CH](O)[CH](N)[CH]1O","37517-28-5","NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O","NCCC(O)C(=O)NC1C(C(C(C(C1)N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O",{"$nulls":4},585.285736436001,"?"]
[4646,null,"37534-65-9",{"$nulls":7},""]
[4647,"O=C1N=CNC2=C1N=CC=C2","37538-67-3","O=c1nc[nH]c2cccnc12","O=c1c2c([nH]cn1)cccn2",{"$nulls":4},147.04326178,"?"]
[4648,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C=CC=C1","37680-65-2","Clc1ccc(Cl)c(-c2ccccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4649,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C=CC=C1","37680-66-3","Clc1ccc(-c2ccccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4650,"ClC1=CC(=CC(Cl)=C1)C1=C(Cl)C=CC=C1","37680-68-5","Clc1cc(Cl)cc(-c2ccccc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4651,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C=C(Cl)C(Cl)=C1","37680-73-2","Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4652,"ClC(Cl)C(=O)N(CC=C)CC=C","37764-25-3","C=CCN(CC=C)C(=O)C(Cl)Cl","C=CCN(CC=C)C(=O)C(Cl)Cl",{"$nulls":4},207.021769332,"?"]
[4653,"CC(CCl)[N+]([O-])=O","37809-02-2","CC(CCl)[N+](=O)[O-]","CC(CCl)[N+](=O)[O-]",{"$nulls":4},123.008706112,"?"]
[4654,"BrC1=CC(Br)=C(OCCOC2=C(Br)C=C(Br)C=C2Br)C(Br)=C1","37853-59-1","Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1","Brc1cc(c(c(c1)Br)OCCOc2c(cc(cc2Br)Br)Br)Br",{"$nulls":4},681.5624520960004,"?"]
[4655,null,"37871-00-4",{"$nulls":7},""]
[4656,"COCCO[Si](CCCl)(OCCOC)OCCOC","37894-46-5","COCCO[Si](CCCl)(OCCOC)OCCOC","COCCO[Si](CCCl)(OCCOC)OCCOC",{"$nulls":4},316.11089273000067,"?"]
[4657,"CC1=CC(=CC=C1NS(=O)(=O)C(F)(F)F)S(=O)(=O)C1=CC=CC=C1","37924-13-3","Cc1cc(S(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)C(F)(F)F","Cc1c(ccc(c1)S(=O)(=O)c2ccccc2)NS(=O)(=O)C(F)(F)F",{"$nulls":4},379.01598452400026,"?"]
[4658,null,"37962-15-5",{"$nulls":7},""]
[4659,null,"38026-46-9",{"$nulls":7},""]
[4660,null,"38062-65-6",{"$nulls":7},""]
[4661,"CC(C)C[CH](N)C(O)=N[CH](CCC(O)=N)C(O)=O","38062-69-0","CC(C)CC(N)C(O)=NC(CCC(=N)O)C(=O)O","CC(C)CC(N)C(O)=NC(CCC(=N)O)C(=O)O",{"$nulls":4},259.1532061520001,"?"]
[4662,null,"38129-37-2",{"$nulls":7},""]
[4663,null,"38206-98-3",{"$nulls":7},""]
[4664,"CCOC1=CC(OP(=S)(OC)OC)=NC(CC)=N1","38260-54-7","CCOc1cc(OP(=S)(OC)OC)nc(CC)n1","CCOc1nc(nc(c1)OP(=S)(OC)OC)CC",{"$nulls":4},292.0646646540005,"?"]
[4665,"NC1=CC(=NC(N)=[N+]1[O-])N1CCCCC1","38304-91-5","Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]","Nc1[n+](c(nc(c1)N2CCCCC2)N)[O-]",{"$nulls":4},209.12766009999999,"?"]
[4666,"CC(C)(C)NC[CH](O)COC1=CC=CC=C1C1CCCC1","38363-40-5","CC(C)(C)NCC(O)COc1ccccc1C1CCCC1","CC(C)(C)NCC(O)COc1c(cccc1)C2CCCC2",{"$nulls":4},291.21982916800084,"?"]
[4667,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C(Cl)=CC=C1Cl","38379-99-6","Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4668,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C=C(Cl)C(Cl)=C1","38380-01-7","Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4669,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1","38380-02-8","Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4670,"ClC1=CC=C(Cl)C(=C1Cl)C1=CC(Cl)=C(Cl)C=C1","38380-03-9","Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4671,"ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=CC=C1Cl","38380-04-0","Clc1cc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4672,"ClC1=CC=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1","38380-05-1","Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4673,"ClC1=C(Cl)C(Cl)=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1","38380-07-3","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4674,"ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=CC(Cl)=C(Cl)C=C1","38380-08-4","Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4675,"ClC1=CC=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=CC=C1Cl","38411-22-2","Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4676,"ClC1=CC=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1","38411-25-5","Clc1cc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4677,"ClC1=CC=CC(Cl)=C1C1=C(Cl)C=CC=C1","38444-73-4","Clc1ccccc1-c1c(Cl)cccc1Cl","Clc1c(cccc1)-c2c(cccc2Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4678,"ClC1=CC=CC(=C1)C1=C(Cl)C=CC=C1Cl","38444-76-7","Clc1cccc(-c2c(Cl)cccc2Cl)c1","Clc1cc(ccc1)-c2c(cccc2Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4679,"ClC1=CC=C(C=C1)C1=C(Cl)C=CC=C1Cl","38444-77-8","Clc1ccc(-c2c(Cl)cccc2Cl)cc1","Clc1ccc(cc1)-c2c(cccc2Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4680,"ClC1=CC=CC(=C1Cl)C1=C(Cl)C=CC=C1","38444-78-9","Clc1ccccc1-c1cccc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(ccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4681,"ClC1=CC(=C(Cl)C=C1)C1=CC(Cl)=CC=C1","38444-81-4","Clc1cccc(-c2cc(Cl)ccc2Cl)c1","Clc1cc(ccc1)-c2c(ccc(c2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4682,"ClC1=CC=C(C=C1)C1=C(Cl)C(Cl)=CC=C1","38444-85-8","Clc1ccc(-c2cccc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(ccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4683,"ClC1=C(Cl)C=C(C=C1)C1=C(Cl)C=CC=C1","38444-86-9","Clc1ccc(-c2ccccc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4684,"ClC1=CC=C(C=C1)C1=CC(Cl)=C(Cl)C=C1","38444-90-5","Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1","Clc1ccc(cc1)-c2cc(c(cc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4685,"ClC1=CC=CC(=C1Cl)C1=C(Cl)C(Cl)=CC=C1","38444-93-8","Clc1cccc(-c2cccc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(ccc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4686,"CC1=NC2=C(O)C=CC(=C2C=C1)N(=O)=O","38543-66-7","Cc1ccc2c([N+](=O)[O-])ccc(O)c2n1","Cc1nc2c(cc1)c([N+](=O)[O-])ccc2O",{"$nulls":4},204.053492116,"?"]
[4687,"CC(S(C)(=O)=O)S(C)(=O)=O","38564-69-1","CC(S(C)(=O)=O)S(C)(=O)=O","CC(S(C)(=O)=O)S(C)(=O)=O",{"$nulls":4},186.0020508,"?"]
[4688,null,"38580-22-2",{"$nulls":7},""]
[4689,"CC(C)(NC(N)=O)C(O)=O","38605-63-9","CC(C)(NC(N)=O)C(=O)O","CC(C)(NC(N)=O)C(=O)O",{"$nulls":4},146.06914218,"?"]
[4690,null,"38624-46-3",{"$nulls":7},""]
[4691,null,"38640-62-9",{"$nulls":7},""]
[4692,"CC(C)N.OC(=O)CNCP(O)(O)=O","38641-94-0","O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O","CC(C)N",{"$nulls":3},228.087508274,"?"]
[4693,"CCOC(=O)CN(C(=O)CCl)C1=C(CC)C=CC=C1CC","38727-55-8","CCOC(=O)CN(C(=O)CCl)c1c(CC)cccc1CC","CCOC(=O)CN(C(=O)CCl)c1c(cccc1CC)CC",{"$nulls":4},311.1288212440006,"?"]
[4694,"CC(C)SS(=O)C(C)C","38739-06-9","CC(C)SS(=O)C(C)C","CC(C)SS(=O)C(C)C",{"$nulls":4},166.048607068,"?"]
[4695,null,"38753-34-3",{"$nulls":7},""]
[4696,"OC(=O)C1CCCC=C1C(O)=O","38765-78-5","O=C(O)C1=CCCCC1C(=O)O","O=C(O)C=1C(CCCC1)C(=O)O",{"$nulls":4},170.0579088,"?"]
[4697,null,"38771-96-9",{"$nulls":7},""]
[4698,"CC1=C(N2[CH](SC1)[CH](NC(=O)[CH](N)C1=CCC=CC1)C2=O)C(O)=O","38821-53-3","CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)C3=CCC=CC3)C2SC1","CC=1CSC2N(C1C(=O)O)C(=O)C2NC(=O)C(N)C=3CC=CCC3",{"$nulls":4},349.1096270880004,"?"]
[4699,"CC(C)(O)CC(C)(O)C1=CC=CC2=CC=CC=C12","38836-20-3","CC(C)(O)CC(C)(O)c1cccc2ccccc12","CC(C)(O)CC(C)(O)c1c2c(ccc1)cccc2",{"$nulls":4},244.14632988,"?"]
[4700,null,"38964-22-6",{"$nulls":7},""]
[4701,null,"38996-13-3",{"$nulls":7},""]
[4702,"ClC1=C2OC3=C(C2=C(Cl)C(Cl)=C1Cl)C(Cl)=C(Cl)C(Cl)=C3Cl","39001-02-0","Clc1c(Cl)c(Cl)c2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c32)c1Cl","Clc1c(c2c(c(c1Cl)Cl)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",{"$nulls":4},439.74573606,"?"]
[4703,"OC(=O)C(I)=CBr","39121-35-2","O=C(O)C(I)=CBr","O=C(O)C(I)=CBr",{"$nulls":4},275.8282894040001,"?"]
[4704,"[Al+3].CCOP([O-])=O.CCOP([O-])=O.CCOP([O-])=O","39148-24-8","CCO[PH](=O)[O-]","CCOP(=O)O","CCOP([O-])=O","CCOP([O-])=O","[Al+3]",null,353.997905676,"Structure has been neutralized"]
[4705,"CNC(=O)ON=C(CSC)C(C)(C)C","39196-18-4","CNC(=O)ON=C(CSC)C(C)(C)C","CNC(=O)ON=C(CSC)C(C)(C)C",{"$nulls":4},218.108898816,"?"]
[4706,"ClC1=C(Cl)C=C2OC3=C(OC2=C1)C(Cl)=C(Cl)C(Cl)=C3Cl","39227-28-6","Clc1cc2c(cc1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",{"$nulls":4},387.81859538400005,"?"]
[4707,"ClC1=CC=CC2=C1OC1=CC=CC=C1O2","39227-53-7","Clc1cccc2c1Oc1ccccc1O2","Clc1c2c(ccc1)Oc3c(O2)cccc3",{"$nulls":4},218.013457144,"?"]
[4708,"ClC1=CC2=C(OC3=CC=CC=C3O2)C=C1","39227-54-8","Clc1ccc2c(c1)Oc1ccccc1O2","Clc1cc2c(cc1)Oc3c(O2)cccc3",{"$nulls":4},218.013457144,"?"]
[4709,"ClC1=CC(Cl)=C(Cl)C2=C1OC1=CC=CC=C1O2","39227-58-2","Clc1cc(Cl)c2c(c1Cl)Oc1ccccc1O2","Clc1c(c2c(c(c1)Cl)Oc3c(O2)cccc3)Cl",{"$nulls":4},285.9355124400001,"?"]
[4710,"ClC1=CC=C2OC3=C(OC2=C1)C(Cl)=C(Cl)C(Cl)=C3Cl","39227-61-7","Clc1ccc2c(c1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1cc2c(cc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl",{"$nulls":4},353.8575677360001,"?"]
[4711,null,"39300-45-3",{"$nulls":7},""]
[4712,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C=C(Cl)C=C1Cl","39485-83-1","Clc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4713,"CC(C)=CC1C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C","39515-40-7","CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C",{"$nulls":4},375.1834436600007,"?"]
[4714,"CC1(C)C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C","39515-41-8","CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C",{"$nulls":4},349.16779359600065,"?"]
[4715,"CCC(CCC(O)=O)C(C)=O","39517-97-0","CCC(CCC(=O)O)C(C)=O","CCC(CCC(=O)O)C(C)=O",{"$nulls":4},158.094294308,"?"]
[4716,null,"39529-95-8",{"$nulls":7},""]
[4717,"COC(=O)C1C2CC(C=C2)C1C(=O)OC","39589-98-5","COC(=O)C1C2C=CC(C2)C1C(=O)OC","COC(=O)C1C(C2C=CC1C2)C(=O)OC",{"$nulls":4},210.089208928,"?"]
[4718,null,"39615-79-7",{"$nulls":7},""]
[4719,"ClC1=CC(=CC(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1","39635-31-9","Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4720,"CC(=O)NCC(=O)NC1=CC=CC=C1","39764-27-7","CC(=O)NCC(=O)Nc1ccccc1","CC(=O)NCC(=O)Nc1ccccc1",{"$nulls":4},192.089877624,"?"]
[4721,"CC(C)(C)C1=NN(C(=O)O1)C1=CC(OCC#C)=C(Cl)C=C1Cl","39807-15-3","C#CCOc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl","C#CCOc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl",{"$nulls":4},340.03814766800036,"?"]
[4722,null,"39832-36-5",{"$nulls":7},""]
[4723,null,"39923-25-6",{"$nulls":7},""]
[4724,null,"39978-21-7",{"$nulls":7},""]
[4725,null,"40078-42-0",{"$nulls":7},""]
[4726,null,"40120-74-9",{"$nulls":7},""]
[4727,"ClC1=CC(Cl)=C(Cl)C(=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","40186-70-7","Clc1cc(Cl)c(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4728,"ClC1=CC(Cl)=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","40186-71-8","Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4729,"ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","40186-72-9","Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},459.727499152,"?"]
[4730,"CC(=O)OC[CH](O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)C=O","40437-08-9","CC(=O)OCC(O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O","CC(=O)OCC(O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O",{"$nulls":4},348.10564684000053,"?"]
[4731,null,"40465-66-5",{"$nulls":7},""]
[4732,"CCC(CC)NC1=C(C(C)=C(C)C=C1[N+]([O-])=O)[N+]([O-])=O","40487-42-1","CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-]","CCC(CC)Nc1c(c(c(cc1[N+](=O)[O-])C)C)[N+](=O)[O-]",{"$nulls":4},281.1375560880005,"?"]
[4733,"COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C","40596-69-8","COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C","COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C",{"$nulls":4},310.25079494800093,"?"]
[4734,null,"40617-52-5",{"$nulls":7},""]
[4735,"CN(C)C1=NC=C2N=CC=NC2=N1","41047-52-3","CN(C)c1ncc2nccnc2n1","CN(C)c1nc2c(cn1)nccn2",{"$nulls":4},175.08579528799999,"?"]
[4736,"C1CCC(CC1)[Sn](C1CCCCC1)(C1CCCCC1)N1C=NC=N1","41083-11-8","c1ncn([Sn](C2CCCCC2)(C2CCCCC2)C2CCCCC2)n1","c1nn(cn1)[Sn](C2CCCCC2)(C3CCCCC3)C4CCCCC4",{"$nulls":4},437.18529282000105,"?"]
[4737,"CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","41096-46-2","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",{"$nulls":4},266.2245802000003,"?"]
[4738,"CCCSP(=O)(OCC)OC1=C(Cl)C=C(Br)C=C1","41198-08-7","CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl","CCCSP(=O)(OCC)Oc1c(cc(cc1)Br)Cl",{"$nulls":4},371.9351417500004,"?"]
[4739,"CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","41205-09-8","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",{"$nulls":4},266.2245802000003,"?"]
[4740,null,"41205-21-4",{"$nulls":7},""]
[4741,"COC1=C(C)C=C(C=C1)C(=O)C1=CC=CC(C)=C1","41295-28-7","COc1ccc(C(=O)c2cccc(C)c2)cc1C","COc1c(cc(cc1)C(=O)c2cc(ccc2)C)C",{"$nulls":4},240.115029752,"?"]
[4742,"OC[CH](O)[CH](O)[CH](O)[CH](O)C=NNC(O)=N","41356-13-2","N=C(O)NN=CC(O)C(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)C(O)CO",{"$nulls":4},237.0960852,"?"]
[4743,"CC1=NN=C(C(=O)N1N)C1=CC=CC=C1","41394-05-2","Cc1nnc(-c2ccccc2)c(=O)n1N","Cc1n(c(c(nn1)-c2ccccc2)=O)N",{"$nulls":4},202.08546094,"?"]
[4744,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C(Cl)=CC=C1","41464-39-5","Clc1ccc(Cl)c(-c2cccc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(ccc2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4745,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C=CC(Cl)=C1","41464-40-8","Clc1ccc(-c2cc(Cl)ccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(ccc(c2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4746,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C=CC=C1Cl","41464-41-9","Clc1ccc(Cl)c(-c2c(Cl)cccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cccc2Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4747,"ClC1=CC=CC(Cl)=C1C1=CC(Cl)=C(Cl)C=C1","41464-46-4","Clc1ccc(-c2c(Cl)cccc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cccc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4748,"ClC1=CC=CC(=C1Cl)C1=C(Cl)C=CC=C1Cl","41464-47-5","Clc1cccc(-c2c(Cl)cccc2Cl)c1Cl","Clc1c(c(ccc1)-c2c(cccc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4749,"ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=CC=C1","41464-51-1","Clc1cc(Cl)c(-c2cccc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4750,"SC(=O)CCCCCCCCC(S)=O","41476-09-9","O=C(S)CCCCCCCCC(=O)S","O=C(S)CCCCCCCCC(=O)S",{"$nulls":4},234.074821816,"?"]
[4751,"CCCCC1=C(OS(=O)(=O)N(C)C)N=C(NCC)N=C1C","41483-43-6","CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C","CCCCc1c(nc(nc1C)NCC)OS(=O)(=O)N(C)C",{"$nulls":4},316.15691162800067,"?"]
[4752,null,"41563-94-4",{"$nulls":7},""]
[4753,"CCOC1=CC=C(N=C(C)O)C(C)=C1","41570-59-6","CCOc1ccc(N=C(C)O)c(C)c1","CCOc1cc(c(cc1)N=C(C)O)C",{"$nulls":4},193.11027872,"?"]
[4754,"CC1=C2N3C=NN=C3SC2=CC=C1","41814-78-2","Cc1cccc2sc3nncn3c12","Cc1c2c(ccc1)sc3n2cnn3",{"$nulls":4},189.036068224,"?"]
[4755,null,"41903-57-5",{"$nulls":7},""]
[4756,"COC1=C(O)C=C(C)C(C=O)=C1","42044-81-5","COc1cc(C=O)c(C)cc1O","COc1c(cc(c(c1)C=O)C)O",{"$nulls":4},166.06299418,"?"]
[4757,"CC(C)(C)NCC(O)COC1=CC=CC2=C1C[CH](O)[CH](O)C2","42200-33-9","CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2","CC(C)(C)NCC(O)COc1c2c(ccc1)CC(C(C2)O)O",{"$nulls":4},309.19400834400074,"?"]
[4758,null,"42346-68-9",{"$nulls":7},""]
[4759,"COC1=CC=C(C=C1)C1SC2=CC=CC=C2N(CCN(C)C)C(=O)C1OC(C)=O","42399-41-7","COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1","COc1ccc(cc1)C2C(C(N(c3c(S2)cccc3)CCN(C)C)=O)OC(C)=O",{"$nulls":4},414.16132831200065,"?"]
[4760,"CCOP(=S)(OCC)OC1=NN(C(C)C)C(Cl)=N1","42509-80-8","CCOP(=S)(OCC)Oc1nc(Cl)n(C(C)C)n1","CCOP(=S)(OCC)Oc1nn(c(n1)Cl)C(C)C",{"$nulls":4},313.0416767140005,"?"]
[4761,"COC(=O)C1=C(C=CC(OC2=CC=C(Cl)C=C2Cl)=C1)[N+]([O-])=O","42576-02-3","COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]","COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]",{"$nulls":4},340.9857777480002,"?"]
[4762,"CC(C)CCCC(C)CC=CC(C)=CC(=O)OCC#C","42588-37-4","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",{"$nulls":4},276.20893013600056,"?"]
[4763,"CC1=CC=C(NC(O)=NC(C)(C)C2=CC=CC=C2)C=C1","42609-52-9","Cc1ccc(NC(O)=NC(C)(C)c2ccccc2)cc1","Cc1ccc(cc1)NC(O)=NC(C)(C)c2ccccc2",{"$nulls":4},268.15756326000036,"?"]
[4764,"CN(C(O)=NC(C)(C)C1=CC=CC=C1)C1=CC=CC=C1","42609-73-4","CN(C(O)=NC(C)(C)c1ccccc1)c1ccccc1","CN(C(O)=NC(C)(C)c1ccccc1)c2ccccc2",{"$nulls":4},268.15756326000036,"?"]
[4765,"ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","42740-50-1","Clc1cc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4766,null,"42793-96-4",{"$nulls":7},""]
[4767,null,"42865-71-4",{"$nulls":7},""]
[4768,"CCOC1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O","42874-03-3","CCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOc1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",{"$nulls":4},361.0328701720003,"?"]
[4769,"CCCOCC(O)COCCC","43015-17-4","CCCOCC(O)COCCC","CCCOCC(O)COCCC",{"$nulls":4},176.1412445,"?"]
[4770,"CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1","43121-43-3","CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(=O)C(Oc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},293.0931044320005,"?"]
[4771,"CC(=O)C(=O)NC1=CC=CC=C1","46114-86-7","CC(=O)C(=O)Nc1ccccc1","CC(=O)C(=O)Nc1ccccc1",{"$nulls":4},163.063328528,"?"]
[4772,"CN(CCCCC(O)=O)S(=O)(=O)C1=CC=CC=C1","46855-40-7","CN(CCCCC(=O)O)S(=O)(=O)c1ccccc1","CN(CCCCC(=O)O)S(=O)(=O)c1ccccc1",{"$nulls":4},271.0878290240004,"?"]
[4773,null,"48126-70-1",{"$nulls":7},""]
[4774,"CCCCCOC(=O)C1=CN=CC=C1","49558-04-5","CCCCCOC(=O)c1cccnc1","CCCCCOC(=O)c1cnccc1",{"$nulls":4},193.11027872,"?"]
[4775,"NCCC1=CC(=C(O)C=C1)[N+]([O-])=O","49607-15-0","NCCc1ccc(O)c([N+](=O)[O-])c1","NCCc1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},182.06914218,"?"]
[4776,null,"49629-98-3",{"$nulls":7},""]
[4777,null,"49754-15-6",{"$nulls":7},""]
[4778,"SC(=O)CCCCCCC(S)=O","49861-19-0","O=C(S)CCCCCCC(=O)S","O=C(S)CCCCCCC(=O)S",{"$nulls":4},206.043521688,"?"]
[4779,"CN1C(=O)N=C(O)C2=C1N=C(C)C(C)=N2","50256-21-8","Cc1nc2c(O)nc(=O)n(C)c2nc1C","Cc1c(nc2c(n1)c(O)nc(=O)n2C)C",{"$nulls":4},206.08037556,"?"]
[4780,null,"50397-65-4",{"$nulls":7},""]
[4781,"CC1=CN=NS1","50406-54-7","Cc1cnns1","Cc1snnc1",{"$nulls":4},100.009519128,"?"]
[4782,null,"50453-17-3",{"$nulls":7},""]
[4783,"CC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C","50471-44-8","C=CC1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","C=CC1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",{"$nulls":4},284.99594850800025,"?"]
[4784,null,"50512-35-1",{"$nulls":7},""]
[4785,"COCCN(C(=O)CCl)C1=C(C)C=CC=C1C","50563-36-5","COCCN(C(=O)CCl)c1c(C)cccc1C","COCCN(C(=O)CCl)c1c(cccc1C)C",{"$nulls":4},255.102606496,"?"]
[4786,"OC(=O)C1=C(C=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=C1)[N+]([O-])=O","50594-66-6","O=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","O=C(O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",{"$nulls":4},360.9964846640002,"?"]
[4787,"CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1","50679-08-8","CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1","CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4",{"$nulls":4},471.3137295520011,"?"]
[4788,"OC1=NCCCCCCCCCCCCCC1","50768-64-4","OC1=NCCCCCCCCCCCCCC1","OC=1CCCCCCCCCCCCCCN1",{"$nulls":4},239.224914548,"?"]
[4789,"CCOP(C)(=O)SCCN(C(C)C)C(C)C","50782-69-9","CCOP(C)(=O)SCCN(C(C)C)C(C)C","CCOP(C)(=O)SCCN(C(C)C)C(C)C",{"$nulls":4},267.1421867020003,"?"]
[4790,"CC(=O)OC1=CC=CC=C1C(=O)OCC(O)=N","50785-22-3","CC(=O)Oc1ccccc1C(=O)OCC(=N)O","CC(=O)Oc1c(cccc1)C(=O)OCC(=N)O",{"$nulls":4},237.063722452,"?"]
[4791,null,"50785-24-5",{"$nulls":7},""]
[4792,null,"50905-12-9",{"$nulls":7},""]
[4793,"ClC1=CC=CC=C1NC(=O)CC#N","50982-66-6","N#CCC(=O)Nc1ccccc1Cl","N#CCC(=O)Nc1c(cccc1)Cl",{"$nulls":4},194.024690524,"?"]
[4794,null,"51019-43-3",{"$nulls":7},""]
[4795,null,"51065-35-1",{"$nulls":7},""]
[4796,"CN1C2=CC=CC=C2C(C(O)=N)=C1C(O)=N","51072-90-3","Cn1c(C(=N)O)c(C(=N)O)c2ccccc21","Cn1c2c(c(c1C(=N)O)C(=N)O)cccc2",{"$nulls":4},217.085126592,"?"]
[4797,"CC(NCCC#N)C(O)=O","51078-47-8","CC(NCCC#N)C(=O)O","CC(NCCC#N)C(=O)O",{"$nulls":4},142.07422756,"?"]
[4798,null,"51078-49-0",{"$nulls":7},""]
[4799,"OC(=O)C1=CC(C(O)=O)=C(C=C1)S(O)(=O)=O","51084-31-2","O=C(O)c1ccc(S(=O)(=O)O)c(C(=O)O)c1","O=C(O)c1cc(c(cc1)S(=O)(=O)O)C(=O)O",{"$nulls":4},245.98342353200002,"?"]
[4800,"SC(=O)C1=CN=CC=C1","51087-03-7","O=C(S)c1cccnc1","O=C(S)c1cnccc1",{"$nulls":4},139.00918478,"?"]
[4801,"CC1=NN(C(N)=C1C)C1=CC=CC=C1","51143-42-1","Cc1nn(-c2ccccc2)c(N)c1C","Cc1c(c(n(n1)-c2ccccc2)N)C",{"$nulls":4},187.110947416,"?"]
[4802,null,"51203-19-1",{"$nulls":7},""]
[4803,"ClC1=CC2=C(C=C1Cl)C1=CC(Cl)=C(Cl)C=C1O2","51207-31-9","Clc1cc2oc3cc(Cl)c(Cl)cc3c2cc1Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3)Cl)Cl)Cl",{"$nulls":4},303.9016254680001,"?"]
[4804,"CCC1=C(N(C(C)COC)C(=O)CCl)C(C)=CC=C1","51218-45-2","CCc1cccc(C)c1N(C(=O)CCl)C(C)COC","CCc1c(c(ccc1)C)N(C(=O)CCl)C(C)COC",{"$nulls":4},283.1339066240006,"?"]
[4805,"CCCOCCN(C(=O)CCl)C1=C(CC)C=CC=C1CC","51218-49-6","CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC","CCCOCCN(C(=O)CCl)c1c(cccc1CC)CC",{"$nulls":4},311.1652067520007,"?"]
[4806,"CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C","51235-04-2","CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C","CN(C)c1n(c(n(c(n1)=O)C2CCCCC2)=O)C",{"$nulls":4},252.15862588,"?"]
[4807,"CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC","51249-05-9","CCCCNC1(P(=O)(OCCCC)OCCCC)CCCCC1","CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC",{"$nulls":4},347.258930706001,"?"]
[4808,null,"51294-23-6",{"$nulls":7},""]
[4809,"CCCCSC(SCC1=CC=C(C=C1)C(C)(C)C)=NC1=CN=CC=C1","51308-54-4","CCCCSC(=Nc1cccnc1)SCc1ccc(C(C)(C)C)cc1","CCCCSC(=Nc1cnccc1)SCc2ccc(cc2)C(C)(C)C",{"$nulls":4},372.16939089600083,"?"]
[4810,"COC(=O)C(C)OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1","51338-27-3","COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",{"$nulls":4},340.0269142880004,"?"]
[4811,null,"51440-83-6",{"$nulls":7},""]
[4812,"COC(CN(C)C(=O)NC1=NN=C(S1)C(C)(C)C)OC","51461-71-3","COC(CN(C)C(=O)Nc1nnc(C(C)(C)C)s1)OC","COC(CN(C)C(=O)Nc1sc(nn1)C(C)(C)C)OC",{"$nulls":4},302.1412615640006,"?"]
[4813,"CNC(NCCSCC1=C(C)NC=N1)=NC#N","51481-61-9","CNC(=NC#N)NCCSCc1nc[nH]c1C","CNC(=NC#N)NCCSCc1c([nH]cn1)C",{"$nulls":4},252.11571551199998,"?"]
[4814,"CNC(=O)OC1=C(OC(CCl)OC)C=CC=C1","51487-69-5","CNC(=O)Oc1ccccc1OC(CCl)OC","CNC(=O)Oc1c(cccc1)OC(CCl)OC",{"$nulls":4},259.0611356080001,"?"]
[4815,null,"51543-29-4",{"$nulls":7},""]
[4816,null,"51596-10-2",{"$nulls":7},""]
[4817,"CC[CH]1O[C]2(CC[CH]1C)C[CH]1C[CH](CC=C(C)C[CH](C)C=CC=C3CO[CH]4[CH](O)C(C)=C[CH](C(=O)O1)[C]34O)O2","51596-11-3","CCC1OC2(CCC1C)CC1CC(CC=C(C)CC(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2","CCC1C(CCC2(O1)OC3CC(C2)OC(C4C=C(C(C5OCC(=CC=CC(CC(=CC3)C)C)C54O)O)C)=O)C",{"$nulls":4},542.3243538120012,"?"]
[4818,"CC(C)C(C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1","51630-58-1","CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl",{"$nulls":4},419.1288212440006,"?"]
[4819,"O=C(NC1=CN=NS1)NC1=CC=CC=C1","51707-55-2","O=C(Nc1ccccc1)Nc1cnns1","O=C(Nc1ccccc1)Nc2snnc2",{"$nulls":4},220.041881876,"?"]
[4820,null,"51773-76-3",{"$nulls":7},""]
[4821,"ClC1=CC(Cl)=C(OC2=CC=CC=C2)C=C1","51892-26-3","Clc1ccc(Oc2ccccc2)c(Cl)c1","Clc1cc(c(cc1)Oc2ccccc2)Cl",{"$nulls":4},237.995220236,"?"]
[4822,"ClC1=CC(=C(Cl)C(Cl)=C1)C1=C(Cl)C=C(Cl)C(Cl)=C1","51908-16-8","Clc1cc(Cl)c(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4823,"CCN1C=C(C(O)=O)C(=O)C2=C1N=C(N=C2)N1CCNCC1","51940-44-4","CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21","CCn1c2c(c(c(c1)C(=O)O)=O)cnc(N3CCNCC3)n2",{"$nulls":4},303.1331394040005,"?"]
[4824,null,"51944-15-1",{"$nulls":7},""]
[4825,null,"51944-17-3",{"$nulls":7},""]
[4826,null,"51953-17-4",{"$nulls":7},""]
[4827,null,"51971-67-6",{"$nulls":7},""]
[4828,null,"52128-85-5",{"$nulls":7},""]
[4829,null,"52137-33-4",{"$nulls":7},""]
[4830,"CCC1=CC2=CC3=CC=CC=C3C=C2C=C1","52251-71-5","CCc1ccc2cc3ccccc3cc2c1","CCc1cc2c(cc1)cc3c(cccc3)c2",{"$nulls":4},206.109550448,"?"]
[4831,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1","52315-07-8","CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},415.07419882800053,"?"]
[4832,null,"52321-05-8",{"$nulls":7},""]
[4833,null,"52363-15-2",{"$nulls":7},""]
[4834,null,"52387-52-7",{"$nulls":7},""]
[4835,null,"52387-57-2",{"$nulls":7},""]
[4836,"CC(OC1=CC2=CC=CC=C2C=C1)C(O)=NC1=CC=CC=C1","52570-16-8","CC(Oc1ccc2ccccc2c1)C(O)=Nc1ccccc1","CC(Oc1cc2c(cc1)cccc2)C(O)=Nc3ccccc3",{"$nulls":4},291.1259287840005,"?"]
[4837,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1","52645-53-1","CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},390.07894986000053,"?"]
[4838,"ClC1=C(Cl)C(Cl)=C(C=C1)C1=C(Cl)C=CC=C1","52663-59-9","Clc1ccccc1-c1ccc(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4839,"ClC1=CC=CC(=C1Cl)C1=C(Cl)C(Cl)=CC=C1Cl","52663-60-2","Clc1cccc(-c2c(Cl)ccc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4840,"ClC1=CC=C(Cl)C(=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1","52663-61-3","Clc1ccc(Cl)c(-c2cc(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4841,"ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=C(Cl)C=CC=C1","52663-62-4","Clc1ccccc1-c1cc(Cl)c(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4842,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","52663-63-5","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4843,"ClC1=CC=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","52663-64-6","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4844,"ClC1=CC(Cl)=C(Cl)C(Cl)=C1C1=C(Cl)C=CC(Cl)=C1Cl","52663-65-7","Clc1cc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4845,"ClC1=CC(=C(Cl)C(Cl)=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","52663-67-9","Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4846,"ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","52663-68-0","Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4847,"ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","52663-69-1","Clc1cc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4848,"ClC1=CC(Cl)=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1","52663-70-4","Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4849,"ClC1=CC(Cl)=C(Cl)C(Cl)=C1C1=C(Cl)C(Cl)=C(Cl)C=C1","52663-71-5","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4850,"ClC1=CC(Cl)=C(C=C1Cl)C1=CC(Cl)=C(Cl)C(Cl)=C1","52663-72-6","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)cc1Cl","Clc1c(cc(c(c1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4851,"ClC1=CC=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","52663-73-7","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4852,"ClC1=CC(=C(Cl)C(Cl)=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1","52663-74-8","Clc1cc(Cl)c(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4853,"ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","52663-75-9","Clc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4854,"ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","52663-76-0","Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4855,"ClC1=CC(Cl)=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","52663-77-1","Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},459.727499152,"?"]
[4856,"ClC1=C(Cl)C(Cl)=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","52663-78-2","Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4857,"ClC1=CC(Cl)=C(Cl)C(Cl)=C1C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","52663-79-3","Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},459.727499152,"?"]
[4858,"ClC1=CC=CC(=C1Cl)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","52704-70-8","Clc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4859,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1","52712-04-6","Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4860,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","52712-05-7","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4861,"ClC1=CC(=C(Cl)C(Cl)=C1)C1=C(Cl)C(Cl)=CC=C1Cl","52744-13-5","Clc1cc(Cl)c(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(ccc2Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4862,"CC(C)OC(=O)C(C)N(C(=O)C1=CC=CC=C1)C1=CC(Cl)=C(F)C=C1","52756-22-6","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},363.10374936800054,"?"]
[4863,"COC(=O)C(C)N(C(=O)C1=CC=CC=C1)C1=CC(Cl)=C(F)C=C1","52756-25-9","COC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},335.0724492400004,"?"]
[4864,"CCCN(CCC)C(=O)SCC1=CC=CC=C1","52888-80-9","CCCN(CCC)C(=O)SCc1ccccc1","CCCN(CCC)C(=O)SCc1ccccc1",{"$nulls":4},251.134385292,"?"]
[4865,"CC1(C)[CH](C=C(Br)Br)[CH]1C(=O)O[CH](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1","52918-63-5","CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Br)Br)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},502.9731676680005,"?"]
[4866,null,"52926-52-0",{"$nulls":7},""]
[4867,"NC1=C(C=C(C(=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","53014-37-2","Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]","Nc1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},272.99816205600007,"?"]
[4868,"CC(=O)OC1C(=O)NC(=O)NC1=O","53039-86-4","CC(=O)OC1C(=O)NC(=O)NC1=O","CC(=O)OC1C(NC(NC1=O)=O)=O",{"$nulls":4},186.027671292,"?"]
[4869,"CC1=CC(C)=NC(NC2=CC=CC=C2)=N1","53112-28-0","Cc1cc(C)nc(Nc2ccccc2)n1","Cc1nc(nc(c1)C)Nc2ccccc2",{"$nulls":4},199.110947416,"?"]
[4870,null,"53469-21-9",{"$nulls":7},""]
[4871,null,"53535-33-4",{"$nulls":7},""]
[4872,"ClC1=CC=CC2=C(Cl)C(Cl)=C(Cl)C=C12","53555-63-8","Clc1cc2c(Cl)cccc2c(Cl)c1Cl","Clc1c(c(c2c(c1)c(Cl)ccc2)Cl)Cl",{"$nulls":4},263.9067108480001,"?"]
[4873,"ClC1=CC2=C(C=C(Cl)C=C2Cl)C(Cl)=C1","53555-64-9","Clc1cc(Cl)c2cc(Cl)cc(Cl)c2c1","Clc1cc2c(c(c1)Cl)cc(Cl)cc2Cl",{"$nulls":4},263.9067108480001,"?"]
[4874,null,"53648-05-8",{"$nulls":7},""]
[4875,null,"53742-07-7",{"$nulls":7},""]
[4876,"OS(=O)(=O)C1=NC=CN1","53744-47-1","O=S(=O)(O)c1ncc[nH]1","O=S(=O)(O)c1[nH]ccn1",{"$nulls":4},147.994262988,"?"]
[4877,"CC(=O)NC1=CC(NS(=O)(=O)C(F)(F)F)=C(C)C=C1C","53780-34-0","CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C","CC(=O)Nc1c(cc(c(c1)NS(=O)(=O)C(F)(F)F)C)C",{"$nulls":4},310.05989793600037,"?"]
[4878,null,"53808-87-0",{"$nulls":7},""]
[4879,"CCCCS(=O)(=O)C(S(=O)(=O)CCCC)S(=O)(=O)CCCC","53893-44-0","CCCCS(=O)(=O)C(S(=O)(=O)CCCC)S(=O)(=O)CCCC","CCCCS(=O)(=O)C(S(=O)(=O)CCCC)S(=O)(=O)CCCC",{"$nulls":4},376.1048016160007,"?"]
[4880,"IC1=CC2=C(COC2=O)C=C1","53910-10-4","O=C1OCc2ccc(I)cc21","O=C1c2c(CO1)ccc(I)c2",{"$nulls":4},259.9334274000001,"?"]
[4881,null,"53943-60-5",{"$nulls":7},""]
[4882,"CC1(CC=C)C(O)=NC(=O)N=C1O","53943-61-6","C=CCC1(C)C(O)=NC(=O)N=C1O","C=CCC1(C(=NC(N=C1O)=O)O)C",{"$nulls":4},182.06914218,"?"]
[4883,null,"53943-64-9",{"$nulls":7},""]
[4884,null,"53993-41-2",{"$nulls":7},""]
[4885,null,"53994-73-3",{"$nulls":7},""]
[4886,"CC(C)(N=C(O)C1=CC=CC=C1)C(O)=N","54016-23-8","CC(C)(N=C(O)c1ccccc1)C(=N)O","CC(C)(N=C(O)c1ccccc1)C(=N)O",{"$nulls":4},206.105527688,"?"]
[4887,"COC1=C(Cl)C(Cl)=C(Cl)C=C1","54135-80-7","COc1ccc(Cl)c(Cl)c1Cl","COc1c(c(c(cc1)Cl)Cl)Cl",{"$nulls":4},209.94059782,"?"]
[4888,null,"54345-92-5",{"$nulls":7},""]
[4889,null,"54381-71-4",{"$nulls":7},""]
[4890,"CCC=C(C)C(OC(=O)C1C(C=C(C)C)C1(C)C)C#C","54406-48-3","C#CC(OC(=O)C1C(C=C(C)C)C1(C)C)C(C)=CCC","C#CC(OC(=O)C1C(C1C=C(C)C)(C)C)C(C)=CCC",{"$nulls":4},274.1932800720005,"?"]
[4891,null,"54496-86-5",{"$nulls":7},""]
[4892,"CCCCC(=O)NCCNC(=O)CCCC","54535-60-3","CCCCC(=O)NCCNC(=O)CCCC","CCCCC(=O)NCCNC(=O)CCCC",{"$nulls":4},228.183778008,"?"]
[4893,"CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl","54593-83-8","CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl","CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl",{"$nulls":4},333.89206256200026,"?"]
[4894,"O=NN1CCCC1=O","54634-49-0","O=NN1CCCC1=O","O=NN1C(CCC1)=O",{"$nulls":4},114.042927432,"?"]
[4895,"CC[CH](C)[CH](N=C(C)O)C(O)=O","54831-20-8","CCC(C)C(N=C(C)O)C(=O)O","CCC(C)C(N=C(C)O)C(=O)O",{"$nulls":4},173.10519334,"?"]
[4896,"CSC1=CC(O)=CC(O)=C1","54839-91-7","CSc1cc(O)cc(O)c1","CSc1cc(cc(c1)O)O",{"$nulls":4},156.024500496,"?"]
[4897,"CCCCSC1=CC(O)=CC(O)=C1","54839-92-8","CCCCSc1cc(O)cc(O)c1","CCCCSc1cc(cc(c1)O)O",{"$nulls":4},198.071450688,"?"]
[4898,null,"54896-21-8",{"$nulls":7},""]
[4899,"CC(C)(C)C(O)C(OC1=CC=C(C=C1)C1=CC=CC=C1)N1C=NC=N1","55179-31-2","CC(C)(C)C(O)C(Oc1ccc(-c2ccccc2)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)-c2ccccc2)n3ncnc3",{"$nulls":4},337.1790269760007,"?"]
[4900,"ClC1=CC(Cl)=C(Cl)C(Cl)=C1C1=C(Cl)C=CC=C1","55215-17-3","Clc1ccccc1-c1c(Cl)cc(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4901,"ClC1=CC=CC(=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1","55215-18-4","Clc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4902,"CC(C)(C)C(O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1","55219-65-3","CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},295.10875449600053,"?"]
[4903,"CCCN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C","55242-55-2","CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C","CCCn1c2c(nc1)n(c(n(c2=O)CCCCC(C)=O)=O)C",{"$nulls":4},306.16919056400064,"?"]
[4904,"O=C(C1CCCCC1)N1CC2N(CCC3=C2C=CC=C3)C(=O)C1","55268-74-1","O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1","O=C(C1CCCCC1)N2CC3N(C(C2)=O)CCc4c3cccc4",{"$nulls":4},312.1837780080006,"?"]
[4905,"CCN(CC(C)=C)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","55283-68-6","C=C(C)CN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","C=C(C)CN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},333.09364058800037,"?"]
[4906,null,"55285-14-8",{"$nulls":7},""]
[4907,"CC1=C(C)S(=O)(=O)CCS1(=O)=O","55290-64-7","CC1=C(C)S(=O)(=O)CCS1(=O)=O","CC=1S(CCS(C1C)(=O)=O)(=O)=O",{"$nulls":4},210.0020508,"?"]
[4908,"ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=C(Cl)C=CC=C1","55312-69-1","Clc1ccccc1-c1cc(Cl)c(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4909,"CCCOP(=O)(OCC)OCCC","55312-81-7","CCCOP(=O)(OCC)OCCC","CCCOP(=O)(OCC)OCCC",{"$nulls":4},210.102095718,"?"]
[4910,"C1CN(CCS1)C1=CC=CC=C1","55330-78-4","c1ccc(N2CCSCC2)cc1","c1ccc(cc1)N2CCSCC2",{"$nulls":4},179.076870416,"?"]
[4911,"OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1","55335-06-3","O=C(O)COc1nc(Cl)c(Cl)cc1Cl","O=C(O)COc1c(cc(c(n1)Cl)Cl)Cl",{"$nulls":4},254.92567602799997,"?"]
[4912,"CN1CC(O)N(C1=O)C1=NN=C(S1)C(C)(C)C","55511-98-3","CN1CC(O)N(c2nnc(C(C)(C)C)s2)C1=O","CN1C(N(C(C1)O)c2sc(nn2)C(C)(C)C)=O",{"$nulls":4},256.099396752,"?"]
[4913,"CCCCCCCCSC(=O)OC1=CC(Cl)=NN=C1C1=CC=CC=C1","55512-33-9","CCCCCCCCSC(=O)Oc1cc(Cl)nnc1-c1ccccc1","CCCCCCCCSC(=O)Oc1c(nnc(c1)Cl)-c2ccccc2",{"$nulls":4},378.11687665600067,"?"]
[4914,"ClC1=C(Cl)C=C(OC2=CC=CC=C2)C=C1","55538-69-7","Clc1ccc(Oc2ccccc2)cc1Cl","Clc1c(cc(cc1)Oc2ccccc2)Cl",{"$nulls":4},237.995220236,"?"]
[4915,null,"55645-89-1",{"$nulls":7},""]
[4916,"ClC1=CC=C(Cl)C(=C1Cl)C1=CC=CC=C1","55702-45-9","Clc1ccc(Cl)c(-c2ccccc2)c1Cl","Clc1c(c(c(cc1)Cl)-c2ccccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4917,"ClC1=C(Cl)C(Cl)=C(C=C1)C1=CC=CC=C1","55702-46-0","Clc1ccc(-c2ccccc2)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2ccccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4918,null,"55704-91-1",{"$nulls":7},""]
[4919,"ClC1=CC2=C(Cl)C=C(Cl)C=C2C=C1","55720-37-1","Clc1cc(Cl)c2cc(Cl)ccc2c1","Clc1cc2c(c(c1)Cl)cc(Cl)cc2",{"$nulls":4},229.9456832,"?"]
[4920,"ClC1=CC2=CC(Cl)=C(Cl)C=C2C=C1","55720-40-6","Clc1ccc2cc(Cl)c(Cl)cc2c1","Clc1cc2c(cc1)cc(Cl)c(Cl)c2",{"$nulls":4},229.9456832,"?"]
[4921,"ClC1=CC2=C(Cl)C=CC(Cl)=C2C=C1Cl","55720-43-9","Clc1cc2c(Cl)ccc(Cl)c2cc1Cl","Clc1c(cc2c(c1)c(Cl)ccc2Cl)Cl",{"$nulls":4},263.9067108480001,"?"]
[4922,"CC1=CC(=O)N(N1)C1=CC=CC=C1","55774-20-4","Cc1cc(=O)n(-c2ccccc2)[nH]1","Cc1[nH]n(c(c1)=O)-c2ccccc2",{"$nulls":4},174.07931294,"?"]
[4923,"CC(C)OC1=CC=CC(NC(=O)C2=C(C)C=CC=C2)=C1","55814-41-0","Cc1ccccc1C(=O)Nc1cccc(OC(C)C)c1","Cc1c(cccc1)C(=O)Nc2cc(ccc2)OC(C)C",{"$nulls":4},269.1415788480004,"?"]
[4924,"CN(C)C(=O)NC1=NOC(=C1)C(C)(C)C","55861-78-4","CN(C)C(=O)Nc1cc(C(C)(C)C)on1","CN(C)C(=O)Nc1noc(c1)C(C)(C)C",{"$nulls":4},211.132076784,"?"]
[4925,"CCC(=O)N(C1=CC=CC=C1)C1(COC)CCN(CCC2=CC=CS2)CC1","56030-54-7","CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1","CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3sccc3)COC",{"$nulls":4},386.20279920000087,"?"]
[4926,"ClC1=CC=C(C(Cl)=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","56030-56-9","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4927,"CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C","56070-16-7","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C",{"$nulls":4},320.0339587820006,"?"]
[4928,"CCCC(C)CC(C)O","56298-90-9","CCCC(C)CC(C)O","CCCC(C)CC(C)O",{"$nulls":4},130.135765196,"?"]
[4929,null,"56403-08-8",{"$nulls":7},""]
[4930,"CC(C)C(O)(C1=CC=C(OC(F)(F)F)C=C1)C1=CN=CN=C1","56425-91-3","CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c1cncnc1","CC(C)C(O)(c1ccc(cc1)OC(F)(F)F)c2cncnc2",{"$nulls":4},312.1085623800005,"?"]
[4931,null,"56485-04-2",{"$nulls":7},""]
[4932,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=C(Cl)C=CC=C1Cl","56558-16-8","Clc1cc(Cl)c(-c2c(Cl)cccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cccc2Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4933,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=CC=C(Cl)C(Cl)=C1","56558-17-9","Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2cc(c(cc2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4934,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=CC(Cl)=CC(Cl)=C1","56558-18-0","Clc1cc(Cl)cc(-c2c(Cl)cc(Cl)cc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4935,"OC(=NC1=CC=CC=C1)N1C=C(F)C(O)=NC1=O","56563-17-8","O=c1nc(O)c(F)cn1C(O)=Nc1ccccc1","O=c1n(cc(c(n1)O)F)C(O)=Nc2ccccc2",{"$nulls":4},249.054969336,"?"]
[4936,null,"56563-18-9",{"$nulls":7},""]
[4937,null,"56803-37-3",{"$nulls":7},""]
[4938,"COP(=S)(OC)OC1=C(Cl)C=C(C)C=C1Cl","57018-04-9","COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl","COP(=S)(OC)Oc1c(cc(cc1Cl)C)Cl",{"$nulls":4},299.9543572020003,"?"]
[4939,"CSC1=NN=C(C(=O)N1N=CC(C)C)C(C)(C)C","57052-04-7","CSc1nnc(C(C)(C)C)c(=O)n1N=CC(C)C","CSc1n(c(c(nn1)C(C)(C)C)=O)N=CC(C)C",{"$nulls":4},268.1357822600003,"?"]
[4940,"COC1=C(Cl)C(Cl)=C(Cl)C=C1O","57057-83-7","COc1c(O)cc(Cl)c(Cl)c1Cl","COc1c(c(c(cc1O)Cl)Cl)Cl",{"$nulls":4},225.93551244,"?"]
[4941,"ClC1=CC2=C(C=C1Cl)C1=C(O2)C(Cl)=C(Cl)C(Cl)=C1","57117-31-4","Clc1cc2oc3c(Cl)c(Cl)c(Cl)cc3c2cc1Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3Cl)Cl)Cl)Cl",{"$nulls":4},337.8626531160001,"?"]
[4942,"NC1=NC=C(C=C1)S(N)(=O)=O","57187-73-2","Nc1ccc(S(N)(=O)=O)cn1","Nc1ncc(cc1)S(N)(=O)=O",{"$nulls":4},173.025897464,"?"]
[4943,null,"57229-74-0",{"$nulls":7},""]
[4944,"NC1=CC2=C(COC2=O)C=C1","57319-65-0","Nc1ccc2c(c1)C(=O)OC2","Nc1cc2c(cc1)COC2=O",{"$nulls":4},149.047678464,"?"]
[4945,"O=C1CCC2=C3N1CCC3=CC=C2","57369-32-1","O=C1CCc2cccc3c2N1CC3","O=C1N2c3c(CC1)cccc3CC2",{"$nulls":4},173.084063972,"?"]
[4946,"CCN(C(=O)OC1=CC=CC(NC(=O)OC(C)C)=C1)C1=CC=CC=C1","57375-63-0","CCN(C(=O)Oc1cccc(NC(=O)OC(C)C)c1)c1ccccc1","CCN(C(=O)Oc1cc(ccc1)NC(=O)OC(C)C)c2ccccc2",{"$nulls":4},342.1579571840006,"?"]
[4947,"FC(F)(F)C1=CC=CC(=C1)C(N1C=NC=N1)(C1=CC=CC=C1)C1=CC=CC=C1","57381-79-0","FC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)n2cncn2)c1","FC(F)(F)c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4ncnc4",{"$nulls":4},379.12963217200047,"?"]
[4948,"CN(CCOC(=O)C1=CC=CC=C1)C(C)=O","57440-16-1","CC(=O)N(C)CCOC(=O)c1ccccc1","CC(=O)N(C)CCOC(=O)c1ccccc1",{"$nulls":4},221.10519334,"?"]
[4949,"COC(=O)C(C)N(C(=O)C1=CC=CO1)C1=C(C)C=CC=C1C","57646-30-7","COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C","COC(=O)C(C)N(C(=O)c1occc1)c2c(cccc2C)C",{"$nulls":4},301.1314080880005,"?"]
[4950,"COCC(=O)N(C(C)C(=O)OC)C1=C(C)C=CC=C1C","57837-19-1","COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC",{"$nulls":4},279.14705815200057,"?"]
[4951,"CCNC(=O)NC(=O)C(=NOC)C#N","57966-95-7","CCNC(=O)NC(=O)C(C#N)=NOC","CCNC(=O)NC(=O)C(C#N)=NOC",{"$nulls":4},198.07529018,"?"]
[4952,"CC(C)OC(=O)[CH](C)N(C(=O)C1=CC=CC=C1)C1=CC(Cl)=C(F)C=C1","57973-67-8","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},363.10374936800054,"?"]
[4953,null,"58010-91-6",{"$nulls":7},""]
[4954,"CN1N=C(C)C(C(=O)C2=C(Cl)C=C(Cl)C=C2)=C1OS(=O)(=O)C1=CC=C(C)C=C1","58011-68-0","Cc1ccc(S(=O)(=O)Oc2c(C(=O)c3ccc(Cl)cc3Cl)c(C)nn2C)cc1","Cc1ccc(cc1)S(=O)(=O)Oc2n(nc(c2C(=O)c3c(cc(cc3)Cl)Cl)C)C",{"$nulls":4},438.0207833520003,"?"]
[4955,"CCC1(CC)C(N)=NC(=O)NC1=O","58042-95-8","CCC1(CC)C(=O)NC(=O)N=C1N","CCC1(C(=NC(NC1=O)=O)N)CC",{"$nulls":4},183.100776656,"?"]
[4956,null,"58266-38-9",{"$nulls":7},""]
[4957,null,"58266-39-0",{"$nulls":7},""]
[4958,"CC1OC(=O)C2=C1C=CC(=C2)N(=O)=O","58335-58-3","CC1OC(=O)c2cc([N+](=O)[O-])ccc21","CC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2",{"$nulls":4},193.037507704,"?"]
[4959,null,"58528-60-2",{"$nulls":7},""]
[4960,"NC1=C(Br)C(=C(Br)C=C1Br)S(O)(=O)=O","58585-89-0","Nc1c(Br)cc(Br)c(S(=O)(=O)O)c1Br","Nc1c(c(c(cc1Br)Br)S(=O)(=O)O)Br",{"$nulls":4},406.746200288,"?"]
[4961,"CC(N(C(=O)C1=CC=CC=C1)C1=CC(Cl)=C(F)C=C1)C(O)=O","58667-63-3","CC(C(=O)O)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C(=O)O)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},321.0567991760003,"?"]
[4962,"CC1=CC=CC(C)=C1N(C1CCOC1=O)C(=O)CCl","58810-48-3","Cc1cccc(C)c1N(C(=O)CCl)C1CCOC1=O","Cc1c(c(ccc1)C)N(C(=O)CCl)C2C(OCC2)=O",{"$nulls":4},281.08187105200045,"?"]
[4963,"CCCCC(CC)C(=O)NC(N)=O","58850-93-4","CCCCC(CC)C(=O)NC(N)=O","CCCCC(CC)C(=O)NC(N)=O",{"$nulls":4},186.136827816,"?"]
[4964,null,"58944-05-1",{"$nulls":7},""]
[4965,null,"58944-06-2",{"$nulls":7},""]
[4966,null,"58954-22-6",{"$nulls":7},""]
[4967,"CCCC1=NC(C(O)=O)=C(N1)C(O)=O","58954-23-7","CCCc1nc(C(=O)O)c(C(=O)O)[nH]1","CCCc1[nH]c(c(n1)C(=O)O)C(=O)O",{"$nulls":4},198.0640568,"?"]
[4968,null,"58994-96-0",{"$nulls":7},""]
[4969,"ClC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1","59039-21-3","Clc1ccc(Oc2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[4970,"CCCOP(=O)(OC)OC","59259-32-4","CCCOP(=O)(OC)OC","CCCOP(=O)(OC)OC",{"$nulls":4},168.055145526,"?"]
[4971,"NC1=NC2=C(N=CN2COCCO)C(=O)N1","59277-89-3","Nc1nc2c(ncn2COCCO)c(=O)[nH]1","Nc1[nH]c(c2c(n1)n(cn2)COCCO)=O",{"$nulls":4},225.086189212,"?"]
[4972,null,"59291-64-4",{"$nulls":7},""]
[4973,"CC(C)C=CCC(O)=O","59320-76-2","CC(C)C=CCC(=O)O","CC(C)C=CCC(=O)O",{"$nulls":4},128.083729624,"?"]
[4974,"CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC","59669-26-0","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC",{"$nulls":4},354.0490180560005,"?"]
[4975,"CN1C=C(C(=O)C(=C1)C1=CC(=CC=C1)C(F)(F)F)C1=CC=CC=C1","59756-60-4","Cn1cc(-c2ccccc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1","Cn1cc(c(c(c1)-c2ccccc2)=O)-c3cc(ccc3)C(F)(F)F",{"$nulls":4},329.1027487280004,"?"]
[4976,null,"59857-86-2",{"$nulls":7},""]
[4977,null,"59923-03-4",{"$nulls":7},""]
[4978,"ClC1=CC=C(Cl)C(=C1)C1=C(Cl)C=C(Cl)C=C1Cl","60145-21-3","Clc1cc(Cl)c(-c2cc(Cl)ccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(ccc(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4979,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=C(Cl)C=C(Cl)C(Cl)=C1","60145-22-4","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4980,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1","60145-23-5","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4981,"CC(C)(S(C)(=O)=O)S(C)(=O)=O","60154-00-9","CC(C)(S(C)(=O)=O)S(C)(=O)=O","CC(C)(S(C)(=O)=O)S(C)(=O)=O",{"$nulls":4},200.017700864,"?"]
[4982,"CN1C=C(I)C=CC1=O","60154-05-4","Cn1cc(I)ccc1=O","Cn1c(ccc(c1)I)=O",{"$nulls":4},234.949411812,"?"]
[4983,"C[CH](O)C(=O)NC1=C(I)C(C(=O)NC(CO)CO)=C(I)C(C(=O)NC(CO)CO)=C1I","60166-93-0","CC(O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I","CC(O)C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I",{"$nulls":4},776.8541086640005,"?"]
[4984,"OC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=CC=CC=C1Cl","60168-88-9","OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl","OC(c1ccc(cc1)Cl)(c2cncnc2)c3c(cccc3)Cl",{"$nulls":4},330.03266836400036,"?"]
[4985,"ClC1=CC(Cl)=C(C=C1)C1(CN2C=NC=N2)OCCO1","60207-31-0","Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1","Clc1cc(c(cc1)C2(OCCO2)Cn3ncnc3)Cl",{"$nulls":4},299.0228319520003,"?"]
[4986,"CCCC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(Cl)C=C1","60207-90-1","CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1","CCCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl",{"$nulls":4},341.0697821440005,"?"]
[4987,null,"60207-93-4",{"$nulls":7},""]
[4988,"ClC1=CC(=CC=C1)C1=C(Cl)C=C(Cl)C=C1Cl","60233-24-1","Clc1cccc(-c2c(Cl)cc(Cl)cc2Cl)c1","Clc1cc(ccc1)-c2c(cc(cc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4989,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=C(Cl)C(Cl)=CC=C1","60233-25-2","Clc1cc(Cl)c(-c2cccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4990,null,"60238-56-4",{"$nulls":7},""]
[4991,null,"60295-67-2",{"$nulls":7},""]
[4992,"CCSC(C(O)=O)C1=CC=CC=C1","60340-41-2","CCSC(C(=O)O)c1ccccc1","CCSC(C(=O)O)c1ccccc1",{"$nulls":4},196.055800624,"?"]
[4993,null,"60415-20-5",{"$nulls":7},""]
[4994,null,"60415-21-6",{"$nulls":7},""]
[4995,"CON(C1CCCCC1)C(=O)C1=C(C)OC(C)=C1","60568-05-0","CON(C(=O)c1cc(C)oc1C)C1CCCCC1","CON(C(=O)c1c(oc(c1)C)C)C2CCCCC2",{"$nulls":4},251.152143532,"?"]
[4996,null,"60574-00-7",{"$nulls":7},""]
[4997,null,"60634-74-4",{"$nulls":7},""]
[4998,"CCCCOCCOCCOC(O)=N","60653-87-4","CCCCOCCOCCOC(=N)O","CCCCOCCOCCOC(=N)O",{"$nulls":4},205.131408088,"?"]
[4999,null,"60662-64-8",{"$nulls":7},""]
[5000,null,"60784-70-5",{"$nulls":7},""]
[5001,null,"60940-94-5",{"$nulls":7},""]
[5002,"FC(F)(F)C1=CC=CC(=C1)N1CC(CCl)C(Cl)C1=O","61213-25-0","O=C1C(Cl)C(CCl)CN1c1cccc(C(F)(F)F)c1","O=C1N(CC(C1Cl)CCl)c2cc(ccc2)C(F)(F)F",{"$nulls":4},311.0091539600002,"?"]
[5003,"SC(=N)NC#N","61296-28-4","N#CNC(=N)S","N#CNC(=N)S",{"$nulls":4},101.00476809599999,"?"]
[5004,"ClC1=CC=CC=C1OC1=CC(Cl)=C(Cl)C=C1","61328-44-7","Clc1ccc(Oc2ccccc2Cl)cc1Cl","Clc1c(cc(cc1)Oc2c(cccc2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5005,"CCC(=O)OC(C)C(=O)OC","61402-72-0","CCC(=O)OC(C)C(=O)OC","CCC(=O)OC(C)C(=O)OC",{"$nulls":4},160.073558864,"?"]
[5006,"CC(C)(SC(=O)N1CCCCC1)C1=CC=CC=C1","61432-55-1","CC(C)(SC(=O)N1CCCCC1)c1ccccc1","CC(C)(SC(=O)N1CCCCC1)c2ccccc2",{"$nulls":4},263.1343852920002,"?"]
[5007,"CC(C)CC1=NC=CN1","61491-92-7","CC(C)Cc1ncc[nH]1","CC(C)Cc1[nH]ccn1",{"$nulls":4},124.10004838399999,"?"]
[5008,"CN1C=CSC1=NC1=C(C)C=C(C)C=C1","61676-87-7","Cc1ccc(N=c2sccn2C)c(C)c1","Cc1cc(c(cc1)N=c2n(ccs2)C)C",{"$nulls":4},218.087769448,"?"]
[5009,null,"61713-37-9",{"$nulls":7},""]
[5010,"ClC1=CC(Cl)=C(Cl)C(Cl)=C1C1=CC=CC(Cl)=C1Cl","61798-70-7","Clc1cccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5011,"OCCNC(=O)C1=C(O)C=CC(O)=C1","61969-53-7","O=C(NCCO)c1cc(O)ccc1O","O=C(NCCO)c1c(ccc(c1)O)O",{"$nulls":4},197.068807832,"?"]
[5012,"NC1=C(C=C(C2=C1C=C(C=C2)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O","61986-93-4","Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(S(=O)(=O)O)cc12","Nc1c2c(c(cc1S(=O)(=O)O)S(=O)(=O)O)ccc(S(=O)(=O)O)c2",{"$nulls":4},382.9439438680001,"?"]
[5013,null,"62046-37-1",{"$nulls":7},""]
[5014,null,"62396-98-9",{"$nulls":7},""]
[5015,"COC(=O)C(C)=COP(=S)(OC)OC","62610-77-9","COC(=O)C(C)=COP(=S)(OC)OC","COC(=O)C(C)=COP(=S)(OC)OC",{"$nulls":4},240.022131146,"?"]
[5016,"CCCCN(C(O)=N)C1=CC=CC=C1","62641-29-6","CCCCN(C(=N)O)c1ccccc1","CCCCN(C(=N)O)c1ccccc1",{"$nulls":4},192.126263132,"?"]
[5017,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=C(Cl)C=CC=C1","62796-65-0","Clc1cc(Cl)c(-c2ccccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cccc2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5018,"CN(C)C(=O)SCCCCOC1=CC=CC=C1","62850-32-2","CN(C)C(=O)SCCCCOc1ccccc1","CN(C)C(=O)SCCCCOc1ccccc1",{"$nulls":4},253.113649848,"?"]
[5019,"CC1=C(Cl)C=C(C=C1Cl)C1=NN=C(O)C=C1","62865-36-5","Cc1c(Cl)cc(-c2ccc(O)nn2)cc1Cl","Cc1c(cc(cc1Cl)-c2nnc(cc2)O)Cl",{"$nulls":4},254.001368236,"?"]
[5020,"CCN(CC1=C(Cl)C=CC=C1F)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","62924-70-3","CCN(Cc1c(F)cccc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCN(Cc1c(cccc1F)Cl)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},421.04524642400025,"?"]
[5021,"CC1=C2CCCCC2=CC2=C1C=CC1=CC=CC=C21","63020-38-2","Cc1c2c(cc3c1ccc1ccccc13)CCCC2","Cc1c2c(cc3c1CCCC3)c4c(cc2)cccc4",{"$nulls":4},246.140850576,"?"]
[5022,null,"63278-33-1",{"$nulls":7},""]
[5023,null,"63284-71-9",{"$nulls":7},""]
[5024,"ClC1=CC=C(OC2=CC(Cl)=C(Cl)C=C2)C=C1","63646-51-5","Clc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1","Clc1ccc(cc1)Oc2cc(c(cc2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5025,"CCCC(Br)(CCC)C(O)=N","63718-48-9","CCCC(Br)(CCC)C(=N)O","CCCC(Br)(CCC)C(=N)O",{"$nulls":4},221.041526232,"?"]
[5026,"COC(=O)[CH](C)N(C(=O)C1=CC=CC=C1)C1=CC(Cl)=C(F)C=C1","63729-98-6","COC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},335.0724492400004,"?"]
[5027,"CC(C)OC(=O)[CH](C)N(C(=O)C1=CC=CC=C1)C1=CC(Cl)=C(F)C=C1","63782-90-1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},363.10374936800054,"?"]
[5028,"CCC1OCC(COC2=CC=C(OC3=CC=CC=C3)C=C2)O1","63837-33-2","CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1","CCC1OC(CO1)COc2ccc(cc2)Oc3ccccc3",{"$nulls":4},300.1361591200005,"?"]
[5029,null,"63906-63-8",{"$nulls":7},""]
[5030,"ClCCN(Cl)CCCl","63915-60-6","ClCCN(Cl)CCCl","ClCCN(Cl)CCCl",{"$nulls":4},174.972232296,"?"]
[5031,"CCOC1=CC=C(C=C1)C1(CC1(Cl)Cl)C(=O)OC(C#N)C1=CC(OC2=CC=CC=C2)=CC=C1","63935-38-6","CCOc1ccc(C2(C(=O)OC(C#N)c3cccc(Oc4ccccc4)c3)CC2(Cl)Cl)cc1","CCOc1ccc(cc1)C2(C(C2)(Cl)Cl)C(=O)OC(C#N)c3cc(ccc3)Oc4ccccc4",{"$nulls":4},481.08476351200056,"?"]
[5032,null,"63981-46-4",{"$nulls":7},""]
[5033,null,"64002-57-9",{"$nulls":7},""]
[5034,null,"64098-82-4",{"$nulls":7},""]
[5035,"COP(=S)(OC)SCC(=O)N(C(C)C)C1=CC=C(Cl)C=C1","64249-01-0","COP(=S)(OC)SCC(=O)N(c1ccc(Cl)cc1)C(C)C","COP(=S)(OC)SCC(=O)N(c1ccc(cc1)Cl)C(C)C",{"$nulls":4},367.02324977800055,"?"]
[5036,"CC1(C)C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C","64257-84-7","CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C",{"$nulls":4},349.16779359600065,"?"]
[5037,null,"64480-66-6",{"$nulls":7},""]
[5038,"CCSC1=NN=C(C(=O)N1N)C(C)(C)C","64529-56-2","CCSc1nnc(C(C)(C)C)c(=O)n1N","CCSc1n(c(c(nn1)C(C)(C)C)=O)N",{"$nulls":4},228.104482132,"?"]
[5039,"FC(F)(F)OC1=CC=C(NC(=O)NC(=O)C2=CC=CC=C2Cl)C=C1","64628-44-0","O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1","O=C(NC(=O)c1c(cccc1)Cl)Nc2ccc(cc2)OC(F)(F)F",{"$nulls":4},358.0332045200003,"?"]
[5040,null,"64635-92-3",{"$nulls":7},""]
[5041,"NC(=O)COC(=O)C1=CC=CC=C1","64649-43-0","NC(=O)COC(=O)c1ccccc1","NC(=O)COC(=O)c1ccccc1",{"$nulls":4},179.058243148,"?"]
[5042,"CCNC(=O)COC(=O)C1=CC=CC=C1","64649-57-6","CCNC(=O)COC(=O)c1ccccc1","CCNC(=O)COC(=O)c1ccccc1",{"$nulls":4},207.089543276,"?"]
[5043,null,"64649-63-4",{"$nulls":7},""]
[5044,null,"64682-95-7",{"$nulls":7},""]
[5045,null,"64991-30-6",{"$nulls":7},""]
[5046,null,"65029-15-4",{"$nulls":7},""]
[5047,"ClC1=CC=C(OC2=C(Cl)C=CC(Cl)=C2)C=C1","65075-00-5","Clc1ccc(Oc2cc(Cl)ccc2Cl)cc1","Clc1ccc(cc1)Oc2c(ccc(c2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5048,null,"65267-24-5",{"$nulls":7},""]
[5049,null,"65267-25-6",{"$nulls":7},""]
[5050,null,"65267-26-7",{"$nulls":7},""]
[5051,null,"65267-27-8",{"$nulls":7},""]
[5052,null,"65413-42-5",{"$nulls":7},""]
[5053,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1","65510-45-4","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5054,"S=C1N=CNC2=NC=CN=C12","65882-61-3","S=c1nc[nH]c2nccnc12","S=c1c2c([nH]cn1)nccn2",{"$nulls":4},164.015667128,"?"]
[5055,"CCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2=C1OC(C)(C)C2","65907-30-4","CCCCOC(=O)N(C)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2","CCCCOC(=O)N(C)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C",{"$nulls":4},382.1562429320007,"?"]
[5056,null,"65934-94-3",{"$nulls":7},""]
[5057,null,"65934-95-4",{"$nulls":7},""]
[5058,"ClC1=CC=C(CN(C2CCCC2)C(=O)NC2=CC=CC=C2)C=C1","66063-05-6","O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1","O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3",{"$nulls":4},328.1342409720006,"?"]
[5059,"CC(C)[CH](C(=O)O[CH](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1","66230-04-4","CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl",{"$nulls":4},419.1288212440006,"?"]
[5060,"CCCC(CN1C=NC=N1)C1=C(Cl)C=C(Cl)C=C1","66246-88-6","CCCC(Cn1cncn1)c1ccc(Cl)cc1Cl","CCCC(Cn1ncnc1)c2c(cc(cc2)Cl)Cl",{"$nulls":4},283.06430284000044,"?"]
[5061,null,"66261-38-9",{"$nulls":7},""]
[5062,"CCOC(=O)CNC(=O)C1=CC=CO1","66318-15-8","CCOC(=O)CNC(=O)c1ccco1","CCOC(=O)CNC(=O)c1occc1",{"$nulls":4},197.068807832,"?"]
[5063,"CC(C)OC1=CC(NC(=O)C2=C(C=CC=C2)C(F)(F)F)=CC=C1","66332-96-5","CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1","CC(C)Oc1cc(ccc1)NC(=O)c2c(cccc2)C(F)(F)F",{"$nulls":4},323.1133134120005,"?"]
[5064,null,"66371-02-6",{"$nulls":7},""]
[5065,null,"66398-52-5",{"$nulls":7},""]
[5066,"CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1","66441-23-4","CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",{"$nulls":4},361.07170029200046,"?"]
[5067,"ClC1=CC=CC(OC2=CC(Cl)=C(Cl)C=C2)=C1","66794-60-3","Clc1cccc(Oc2ccc(Cl)c(Cl)c2)c1","Clc1cc(ccc1)Oc2cc(c(cc2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5068,"CC1(C)[CH](C(Br)C(Br)(Br)Br)[CH]1C(=O)O[CH](C#N)C1=CC(OC2=CC=CC=C2)=CC=C1","66841-25-6","CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1C(Br)C(Br)(Br)Br","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C(Br)C(Br)(Br)Br)C",{"$nulls":4},660.8098418680005,"?"]
[5069,"CCCC(Br)C(O)=NC(O)=N","66947-87-3","CCCC(Br)C(O)=NC(=N)O","CCCC(Br)C(O)=NC(=N)O",{"$nulls":4},222.000389692,"?"]
[5070,"CN(C)C1CCCC=CCC1","66950-37-6","CN(C)C1CCC=CCCC1","CN(C)C1CCCC=CCC1",{"$nulls":4},153.151749608,"?"]
[5071,"CN=C(O)SC1=CC=C(OS(C)(=O)=O)C=C1","66952-49-6","CN=C(O)Sc1ccc(OS(C)(=O)=O)cc1","CN=C(O)Sc1ccc(cc1)OS(C)(=O)=O",{"$nulls":4},261.0129498320001,"?"]
[5072,"CC1(CCCC1=O)C#N","66984-18-7","CC1(C#N)CCCC1=O","CC1(C(CCC1)=O)C#N",{"$nulls":4},123.068413908,"?"]
[5073,"ClC1=CC2=C(OC3=C(Cl)C(Cl)=C(Cl)C=C3O2)C=C1","67028-18-6","Clc1ccc2c(c1)Oc1cc(Cl)c(Cl)c(Cl)c1O2","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)c(Cl)c3Cl",{"$nulls":4},319.8965400880001,"?"]
[5074,null,"67051-30-3",{"$nulls":7},""]
[5075,"CC1=CC=CC(C)=C1N(CN1C=CC=N1)C(=O)CCl","67129-08-2","Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl","Cc1c(c(ccc1)C)N(Cn2nccc2)C(=O)CCl",{"$nulls":4},277.09818981200044,"?"]
[5076,"CCC(CC)(CC)NC(O)=N","67216-85-7","CCC(CC)(CC)NC(=N)O","CCC(CC)(CC)NC(=N)O",{"$nulls":4},158.141913196,"?"]
[5077,null,"67242-91-5",{"$nulls":7},""]
[5078,null,"67299-16-5",{"$nulls":7},""]
[5079,"CC(CN1C[CH](C)O[CH](C)C1)CC1=CC=C(C=C1)C(C)(C)C","67306-03-0","CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)OC(C)C1","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C",{"$nulls":4},303.2562146760009,"?"]
[5080,null,"67320-39-2",{"$nulls":7},""]
[5081,null,"67320-40-5",{"$nulls":7},""]
[5082,"CC1(C)[CH](C=C(Cl)Cl)[CH]1C(=O)O[CH](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1","67375-30-8","CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},415.07419882800053,"?"]
[5083,"CC1(C)CNC(NC1)=NN=C(C=CC1=CC=C(C=C1)C(F)(F)F)C=CC1=CC=C(C=C1)C(F)(F)F","67485-29-4","CC1(C)CNC(=NN=C(C=Cc2ccc(C(F)(F)F)cc2)C=Cc2ccc(C(F)(F)F)cc2)NC1","CC1(CNC(NC1)=NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F)C",{"$nulls":4},494.19051608800066,"?"]
[5084,"ClC1=CC2=C(OC3=C(Cl)C(Cl)=C(Cl)C(Cl)=C23)C(Cl)=C1Cl","67562-39-4","Clc1cc2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c32)c(Cl)c1Cl","Clc1c(c(c2c(c1)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",{"$nulls":4},405.78470841200004,"?"]
[5085,"CC(CN1C[CH](C)O[CH](C)C1)CC1=CC=C(C=C1)C(C)(C)C","67564-91-4","CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)OC(C)C1","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C",{"$nulls":4},303.2562146760009,"?"]
[5086,"BrC1=CC2=C(C=C1Br)C1=C(O2)C=C(Br)C(Br)=C1","67733-57-7","Brc1cc2oc3cc(Br)c(Br)cc3c2cc1Br","Brc1c(cc2c(c1)oc3c2cc(c(c3)Br)Br)Br",{"$nulls":4},479.69956314800015,"?"]
[5087,"CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)N1C=CN=C1","67747-09-5","CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1","CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2cncc2",{"$nulls":4},375.03080979200047,"?"]
[5088,null,"67774-74-7",{"$nulls":7},""]
[5089,null,"67792-85-2",{"$nulls":7},""]
[5090,null,"67856-67-1",{"$nulls":7},""]
[5091,"CCOC(CNCC(OCC)OCC)OCC","67856-69-3","CCOC(CNCC(OCC)OCC)OCC","CCOC(CNCC(OCC)OCC)OCC",{"$nulls":4},249.194008344,"?"]
[5092,"BrC1=CC(=C(Br)C=C1)C1=CC(Br)=C(Br)C=C1Br","67888-96-4","Brc1ccc(Br)c(-c2cc(Br)c(Br)cc2Br)c1","Brc1cc(c(cc1)Br)-c2c(cc(c(c2)Br)Br)Br",{"$nulls":4},543.6308106600002,"?"]
[5093,null,"67928-93-2",{"$nulls":7},""]
[5094,"O=C1NC=CC2=C1N=CC=C2","67967-11-7","O=c1[nH]ccc2cccnc12","O=c1c2c(cc[nH]1)cccn2",{"$nulls":4},146.048012812,"?"]
[5095,"ClC1=CC(Cl)=C(C=C1OCC#C)N1N=C2CCCCN2C1=O","68049-83-2","C#CCOc1cc(-n2nc3n(c2=O)CCCC3)c(Cl)cc1Cl","C#CCOc1c(cc(c(c1)-n2c(n3c(n2)CCCC3)=O)Cl)Cl",{"$nulls":4},337.03848201600033,"?"]
[5096,null,"68085-85-8",{"$nulls":7},""]
[5097,"CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC1=NC2=CC=C(C=C2S1)[N+]([O-])=O","68133-69-7","CC(=O)OCCN(CCC#N)c1ccc(N=Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1","CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2sc3c(n2)ccc([N+](=O)[O-])c3",{"$nulls":4},438.11102405600053,"?"]
[5098,"ClC1=NC=CC(NC(=O)NC2=CC=CC=C2)=C1","68157-60-8","O=C(Nc1ccccc1)Nc1ccnc(Cl)c1","O=C(Nc1ccccc1)Nc2cc(ncc2)Cl",{"$nulls":4},247.05123962,"?"]
[5099,"ClC1=CC=C(C(Cl)=C1)C1=C(Cl)C=CC=C1Cl","68194-04-7","Clc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cccc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5100,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C(Cl)=CC=C1Cl","68194-05-8","Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5101,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1","68194-07-0","Clc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(cc(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5102,"ClC1=CC(=CC(Cl)=C1)C1=C(Cl)C(Cl)=CC=C1Cl","68194-10-5","Clc1cc(Cl)cc(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5103,"ClC1=CC=C(C=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","68194-11-6","Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5104,"ClC1=CC(=CC(Cl)=C1)C1=C(Cl)C=C(Cl)C(Cl)=C1","68194-12-7","Clc1cc(Cl)cc(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5105,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","68194-14-9","Clc1ccc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5106,"ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=C(Cl)C=CC=C1Cl","68194-15-0","Clc1cc(-c2c(Cl)cccc2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(cccc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5107,"ClC1=CC(=C(Cl)C(Cl)=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","68194-17-2","Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[5108,null,"68228-18-2",{"$nulls":7},""]
[5109,"COC1=CC=C(NC(=N)NC2=CC=C(OC)C=C2)C=C1","68339-75-3","COc1ccc(NC(=N)Nc2ccc(OC)cc2)cc1","COc1ccc(cc1)NC(=N)Nc2ccc(cc2)OC",{"$nulls":4},271.13207678400045,"?"]
[5110,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=C(F)C(OC2=CC=CC=C2)=C1","68359-37-5","CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(c(cc2)F)Oc3ccccc3)C",{"$nulls":4},433.0647770160005,"?"]
[5111,"CCS(=O)(=O)OC1=CC2=C(OCC2(C)C)C=C1","68505-69-1","CCS(=O)(=O)Oc1ccc2c(c1)C(C)(C)CO2","CCS(=O)(=O)Oc1cc2c(cc1)OCC2(C)C",{"$nulls":4},256.07692999200003,"?"]
[5112,null,"68648-87-3",{"$nulls":7},""]
[5113,null,"68659-48-3",{"$nulls":7},""]
[5114,"CCCOCC(=NC1=C(C=C(Cl)C=C1)C(F)(F)F)N1C=CN=C1","68694-11-1","CCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n1ccnc1","CCCOCC(=Nc1c(cc(cc1)Cl)C(F)(F)F)n2cncc2",{"$nulls":4},345.08557444000047,"?"]
[5115,"ClC1=CC(Cl)=C(OC2=CC=CC=C2Cl)C=C1","68914-97-6","Clc1ccc(Oc2ccccc2Cl)c(Cl)c1","Clc1cc(c(cc1)Oc2c(cccc2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5116,null,"69079-96-5",{"$nulls":7},""]
[5117,"CC(C)N1C(SCN(C1=O)C1=CC=CC=C1)=NC(C)(C)C","69327-76-0","CC(C)N1C(=O)N(c2ccccc2)CSC1=NC(C)(C)C","CC(C)N1C(SCN(C1=O)c2ccccc2)=NC(C)(C)C",{"$nulls":4},305.1561833560006,"?"]
[5118,"O=S(=O)(NC1=CC=CC=C1)C1=CC=CC=C1C#N","69360-16-3","N#Cc1ccccc1S(=O)(=O)Nc1ccccc1","N#Cc1c(cccc1)S(=O)(=O)Nc2ccccc2",{"$nulls":4},258.0462985600001,"?"]
[5119,"NC1=C(Cl)C(F)=NC(OCC(O)=O)=C1Cl","69377-81-7","Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl","Nc1c(c(nc(c1Cl)F)OCC(=O)O)Cl",{"$nulls":4},253.9661256,"?"]
[5120,"CC(C)C(NC1=C(Cl)C=C(C=C1)C(F)(F)F)C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1","69409-94-5","CC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC(C)C(Nc1c(cc(cc1)C(F)(F)F)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3",{"$nulls":4},502.1271049040006,"?"]
[5121,"OCC(Cl)(Cl)Br","69497-24-1","OCC(Cl)(Cl)Br","OCC(Cl)(Cl)Br",{"$nulls":4},191.874432176,"?"]
[5122,"ClC1=CC(=CC=C1)N(C1CCOC1=O)C(=O)C1CC1","69581-33-5","O=C1OCCC1N(C(=O)C1CC1)c1cccc(Cl)c1","O=C1C(CCO1)N(C(=O)C2CC2)c3cc(ccc3)Cl",{"$nulls":4},279.0662209880004,"?"]
[5123,"CC(CC(C)(C(O)=O)C(O)=O)C(O)=O","69646-36-2","CC(CC(C)(C(=O)O)C(=O)O)C(=O)O","CC(CC(C)(C(=O)O)C(=O)O)C(=O)O",{"$nulls":4},204.063388104,"?"]
[5124,null,"69687-19-0",{"$nulls":7},""]
[5125,null,"69695-04-1",{"$nulls":7},""]
[5126,"OC(=O)C1=C(Cl)C(Cl)=CO1","69727-40-8","O=C(O)c1occ(Cl)c1Cl","O=C(O)c1c(c(co1)Cl)Cl",{"$nulls":4},179.938099284,"?"]
[5127,null,"69732-99-6",{"$nulls":7},""]
[5128,"ClC1=CC(=CC(Cl)=C1Cl)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","69782-91-8","Clc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[5129,"CC(OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1)C(O)=O","69806-34-4","CC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O","CC(Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl)C(=O)O",{"$nulls":4},361.03287017200023,"?"]
[5130,"COC(=O)C(C)OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1","69806-40-2","COC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl",{"$nulls":4},375.0485202360004,"?"]
[5131,null,"69806-50-4",{"$nulls":7},""]
[5132,null,"69969-22-8",{"$nulls":7},""]
[5133,null,"69969-62-6",{"$nulls":7},""]
[5134,"CC(C)[CH](C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(OC(F)F)C=C1","70124-77-5","CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)F",{"$nulls":4},451.1595146560006,"?"]
[5135,"CCCCCCCCOC(=O)C1=CN=CC=C1","70136-02-6","CCCCCCCCOC(=O)c1cccnc1","CCCCCCCCOC(=O)c1cnccc1",{"$nulls":4},235.157228912,"?"]
[5136,"CC(=O)N[CH](CSC1=CC=CC=C1Cl)C(O)=O","70278-03-4","CC(=O)NC(CSc1ccccc1Cl)C(=O)O","CC(=O)NC(CSc1c(cccc1)Cl)C(=O)O",{"$nulls":4},273.0226419240003,"?"]
[5137,"ClC1=CC=C(Cl)C(=C1Cl)C1=CC=CC=C1Cl","70362-45-7","Clc1ccccc1-c1c(Cl)ccc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5138,"ClC1=CC(=C(Cl)C(Cl)=C1)C1=C(Cl)C=CC=C1","70362-46-8","Clc1cc(Cl)c(Cl)c(-c2ccccc2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(cccc2)Cl",{"$nulls":4},289.92236091200016,"?"]
[5139,null,"70362-47-9",{"$nulls":7},""]
[5140,"ClC1=CC(=C(Cl)C=C1)C1=CC(Cl)=C(Cl)C=C1","70362-48-0","Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5141,null,"70404-40-9",{"$nulls":7},""]
[5142,"ClC1=CC(=C(Cl)C=C1)C1=CC(Cl)=C(Cl)C(Cl)=C1","70424-70-3","Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5143,"OCCNCCNC1=CC=C(NCCNCCO)C2=C1C(=O)C1=C(C(O)=CC=C1O)C2=O","70476-82-3","O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21","O=C1c2c(C(c3c1c(O)ccc3O)=O)c(NCCNCCO)ccc2NCCNCCO",{"$nulls":4},444.2008846160007,"?"]
[5144,null,"70561-60-3",{"$nulls":7},""]
[5145,null,"70585-36-3",{"$nulls":7},""]
[5146,"COCC(=O)N([CH](C)C(=O)OC)C1=C(C)C=CC=C1C","70630-17-0","COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC",{"$nulls":4},279.14705815200057,"?"]
[5147,null,"70772-73-5",{"$nulls":7},""]
[5148,null,"71119-13-6",{"$nulls":7},""]
[5149,null,"71119-16-9",{"$nulls":7},""]
[5150,null,"71119-19-2",{"$nulls":7},""]
[5151,null,"71119-21-6",{"$nulls":7},""]
[5152,null,"71119-24-9",{"$nulls":7},""]
[5153,null,"71119-25-0",{"$nulls":7},""]
[5154,null,"71119-32-9",{"$nulls":7},""]
[5155,null,"71119-34-1",{"$nulls":7},""]
[5156,null,"71119-36-3",{"$nulls":7},""]
[5157,null,"71119-38-5",{"$nulls":7},""]
[5158,null,"71119-39-6",{"$nulls":7},""]
[5159,null,"71138-72-2",{"$nulls":7},""]
[5160,null,"71203-44-6",{"$nulls":7},""]
[5161,"CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1","71283-80-2","CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",{"$nulls":4},361.07170029200046,"?"]
[5162,null,"71548-53-3",{"$nulls":7},""]
[5163,"CN1N=C(C)C(C(=O)C2=C(Cl)C=C(Cl)C=C2)=C1OCC(=O)C1=CC=CC=C1","71561-11-0","Cc1nn(C)c(OCC(=O)c2ccccc2)c1C(=O)c1ccc(Cl)cc1Cl","Cc1c(c(n(n1)C)OCC(=O)c2ccccc2)C(=O)c3c(cc(cc3)Cl)Cl",{"$nulls":4},402.05379773200036,"?"]
[5164,"COC(=O)C(C)N(C(=O)CC1=CC=CC=C1)C1=C(C)C=CC=C1C","71626-11-4","COC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C","COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(cccc2C)C",{"$nulls":4},325.16779359600065,"?"]
[5165,null,"71697-59-1",{"$nulls":7},""]
[5166,null,"71720-65-5",{"$nulls":7},""]
[5167,null,"71720-66-6",{"$nulls":7},""]
[5168,"NC(=O)C(=NO)C(N)=O","71721-66-9","NC(=O)C(=NO)C(N)=O","NC(=O)C(=NO)C(N)=O",{"$nulls":4},131.03309102,"?"]
[5169,"OC(=O)C(Br)=C(Br)Br","71815-46-8","O=C(O)C(Br)=C(Br)Br","O=C(O)C(Br)=C(Br)Br",{"$nulls":4},305.75266557200007,"?"]
[5170,"OC(=O)C(Br)=C(Br)I","71815-47-9","O=C(O)C(Br)=C(Br)I","O=C(O)C(Br)=C(Br)I",{"$nulls":4},353.73880147200003,"?"]
[5171,"CCS(=O)(=O)NS(=O)(=O)CC","71954-28-4","CCS(=O)(=O)NS(=O)(=O)CC","CCS(=O)(=O)NS(=O)(=O)CC",{"$nulls":4},201.012949832,"?"]
[5172,"CS(=O)(=O)NC(=O)C1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O","72178-02-0","CS(=O)(=O)NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CS(=O)(=O)NC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",{"$nulls":4},437.99001938000026,"?"]
[5173,"CCOC(=O)C1(C)OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1","72391-46-9","CCOC(=O)C1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",{"$nulls":4},331.0014278120003,"?"]
[5174,"ClC1=CC2=C(C=C1)N=C([N-][N+]2=O)N1C=CN=C1","72459-58-6","O=[n+]1[n-]c(-n2ccnc2)nc2ccc(Cl)cc21","O=[n+]1[n-]c(-n2ccnc2)nc2ccc(Cl)cc21",{"$nulls":4},247.026087492,"Errors in neutralization"]
[5175,"CCOC(=O)NCCOC1=CC=C(OC2=CC=CC=C2)C=C1","72490-01-8","CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2",{"$nulls":4},301.1314080880005,"?"]
[5176,null,"72828-64-9",{"$nulls":7},""]
[5177,"FC(F)(F)C1=C(SC(Cl)=N1)C(=O)OCC1=CC=CC=C1","72850-64-7","O=C(OCc1ccccc1)c1sc(Cl)nc1C(F)(F)F","O=C(OCc1ccccc1)c2c(nc(s2)Cl)C(F)(F)F",{"$nulls":4},320.9838118040002,"?"]
[5178,null,"72869-86-4",{"$nulls":7},""]
[5179,null,"72898-29-4",{"$nulls":7},""]
[5180,"CC(C)=CC1C(C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C","72963-72-5","C#CCN1CC(=O)N(COC(=O)C2C(C=C(C)C)C2(C)C)C1=O","C#CCN1C(N(C(C1)=O)COC(=O)C2C(C2C=C(C)C)(C)C)=O",{"$nulls":4},318.1579571840006,"?"]
[5181,"CN(C(=O)COC1=NC2=CC=CC=C2S1)C1=CC=CC=C1","73250-68-7","CN(C(=O)COc1nc2ccccc2s1)c1ccccc1","CN(C(=O)COc1sc2c(n1)cccc2)c3ccccc3",{"$nulls":4},298.0775986880004,"?"]
[5182,"ClC1=CC(=CC=C1)C1=C(Cl)C=C(Cl)C(Cl)=C1","73575-53-8","Clc1cccc(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(ccc1)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5183,"ClC1=CC=CC=C1C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","73575-56-1","Clc1ccccc1-c1c(Cl)c(Cl)cc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5184,"ClC1=CC=CC(Cl)=C1C1=C(Cl)C(Cl)=C(Cl)C=C1","73575-57-2","Clc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(cccc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5185,null,"73727-45-4",{"$nulls":7},""]
[5186,null,"73747-55-4",{"$nulls":7},""]
[5187,"CC1=CC(C)=NC(=N1)C(N)=O","73937-25-4","Cc1cc(C)nc(C(N)=O)n1","Cc1nc(nc(c1)C)C(N)=O",{"$nulls":4},151.074561908,"?"]
[5188,"FC1=CC=C(C=C1)C(=O)C1CCN(CCN2C(=O)NC3=CC=CC=C3C2=O)CC1","74050-98-9","O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1","O=C(c1ccc(cc1)F)C2CCN(CC2)CCn3c(c4c([nH]c3=O)cccc4)=O",{"$nulls":4},395.16451978400056,"?"]
[5189,null,"74059-43-1",{"$nulls":7},""]
[5190,"NC1=C(C=CC(OC2=CC=CC=C2)=C1Cl)[N+]([O-])=O","74070-46-5","Nc1c([N+](=O)[O-])ccc(Oc2ccccc2)c1Cl","Nc1c(c(ccc1[N+](=O)[O-])Oc2ccccc2)Cl",{"$nulls":4},264.0301698280002,"?"]
[5191,null,"74099-07-3",{"$nulls":7},""]
[5192,"ClC1=CC=CC=C1C1=NN=C(N=N1)C1=C(Cl)C=CC=C1","74115-24-5","Clc1ccccc1-c1nnc(-c2ccccc2Cl)nn1","Clc1c(cccc1)-c2nnc(nn2)-c3c(cccc3)Cl",{"$nulls":4},302.0126016160002,"?"]
[5193,"COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC1=NC(C)=CC(C)=N1","74222-97-2","COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)C)C",{"$nulls":4},364.0841406120005,"?"]
[5194,"ClC1=CC(=CC=C1)C1=CC=C(Cl)C(Cl)=C1Cl","74338-24-2","Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1","Clc1cc(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5195,"ClC1=CC=C(C=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1","74472-34-7","Clc1ccc(-c2cc(Cl)cc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(cc(c2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5196,"ClC1=CC(=CC=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","74472-36-9","Clc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5197,"ClC1=CC=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1","74472-37-0","Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5198,"ClC1=CC=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","74472-38-1","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5199,"ClC1=CC=C(C=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","74472-42-7","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5200,"ClC1=CC=C(C=C1Cl)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","74472-44-9","Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5201,"ClC1=CC=C(Cl)C(=C1Cl)C1=CC(Cl)=C(Cl)C(Cl)=C1","74472-45-0","Clc1cc(-c2c(Cl)ccc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5202,"ClC1=CC(=CC(Cl)=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","74472-46-1","Clc1cc(Cl)cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5203,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","74472-47-2","Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[5204,"ClC1=CC(=CC(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","74472-50-7","Clc1cc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[5205,"ClC1=CC(=CC(Cl)=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","74472-51-8","Clc1cc(Cl)cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[5206,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","74472-52-9","Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[5207,"ClC1=CC(=CC(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","74472-53-0","Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[5208,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","74487-85-7","Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[5209,"BrC1=CC(C=O)=C(Br)C=C1","74553-29-0","O=Cc1cc(Br)ccc1Br","O=Cc1c(ccc(c1)Br)Br",{"$nulls":4},261.8628889480001,"?"]
[5210,"OS(=O)(=O)C(Cl)S(O)(=O)=O","74692-14-1","O=S(=O)(O)C(Cl)S(=O)(=O)O","O=S(=O)(O)C(Cl)S(=O)(=O)O",{"$nulls":4},209.905957496,"?"]
[5211,null,"74708-88-6",{"$nulls":7},""]
[5212,"CC(C)(C)C(Br)C(O)=NC(C)(C)C1=CC=CC=C1","74712-19-9","CC(C)(N=C(O)C(Br)C(C)(C)C)c1ccccc1","CC(C)(N=C(O)C(Br)C(C)(C)C)c1ccccc1",{"$nulls":4},311.08847642400065,"?"]
[5213,"ClC1=CC=CC(C2=CNC=C2C#N)=C1Cl","74738-17-3","N#Cc1c[nH]cc1-c1cccc(Cl)c1Cl","N#Cc1c(c[nH]c1)-c2c(c(ccc2)Cl)Cl",{"$nulls":4},235.990803552,"?"]
[5214,null,"74778-22-6",{"$nulls":7},""]
[5215,"C#CC(=NOCC1OCCO1)C1=CC=CC=C1","74782-23-3","C#CC(=NOCC1OCCO1)c1ccccc1","C#CC(=NOCC1OCCO1)c2ccccc2",{"$nulls":4},231.089543276,"?"]
[5216,null,"75736-33-3",{"$nulls":7},""]
[5217,"CCOC(=O)[CH](CCC1=CC=CC=C1)N[CH](C)C(=O)N1CCC[CH]1C(O)=O","75847-73-3","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C(=O)O","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C(CCC2)C(=O)O",{"$nulls":4},376.19982199600076,"?"]
[5218,null,"75889-62-2",{"$nulls":7},""]
[5219,"CCN1CC(=O)N=C1N","76146-27-5","CCN1CC(=O)N=C1N","CCN1C(=NC(C1)=O)N",{"$nulls":4},127.07456190799999,"?"]
[5220,null,"76193-99-2",{"$nulls":7},""]
[5221,null,"76199-02-5",{"$nulls":7},""]
[5222,"OC(=O)C1=C(C(O)=NC2=CC=CC(Cl)=C2Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","76280-91-6","O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(O)=Nc1cccc(Cl)c1Cl","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(O)=Nc2c(c(ccc2)Cl)Cl",{"$nulls":4},444.84005910000013,"?"]
[5223,"OS(=O)(=O)C(Cl)(S(O)(=O)=O)S(O)(=O)=O","76371-36-3","O=S(=O)(O)C(Cl)(S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)C(Cl)(S(=O)(=O)O)S(=O)(=O)O",{"$nulls":4},289.86277235600005,"?"]
[5224,"CCOC(=O)[CH](C)N=C(O)CCl","76385-53-0","CCOC(=O)C(C)N=C(O)CCl","CCOC(=O)C(C)N=C(O)CCl",{"$nulls":4},193.050570924,"?"]
[5225,null,"76432-30-9",{"$nulls":7},""]
[5226,null,"76432-33-2",{"$nulls":7},""]
[5227,null,"76432-35-4",{"$nulls":7},""]
[5228,"CC(OC1=CC=CC=C1Cl)C(O)=O","76466-16-5","CC(Oc1ccccc1Cl)C(=O)O","CC(Oc1c(cccc1)Cl)C(=O)O",{"$nulls":4},200.024021828,"?"]
[5229,"CC(OC1=CC=C(OC2=CN=C3C=C(Cl)C=CC3=N2)C=C1)C(O)=O","76578-12-6","CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)O",{"$nulls":4},344.0563845760003,"?"]
[5230,"CCOC(=O)C(C)OC1=CC=C(OC2=CN=C3C=C(Cl)C=CC3=N2)C=C1","76578-14-8","CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",{"$nulls":4},372.08768470400054,"?"]
[5231,"OC(CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=C(F)C=CC=C1","76674-21-0","OC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F","OC(Cn1ncnc1)(c2ccc(cc2)F)c3c(cccc3)F",{"$nulls":4},301.10266847600036,"?"]
[5232,"CC(C)(C)[CH](O)[CH](CC1=CC=C(Cl)C=C1)N1C=NC=N1","76738-62-0","CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Cc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},293.1294899400006,"?"]
[5233,"ClC1=CC(=CC(Cl)=C1Cl)C1=CC=CC(Cl)=C1Cl","76842-07-4","Clc1cc(-c2cccc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(ccc2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5234,null,"77044-59-8",{"$nulls":7},""]
[5235,"[NH4+].CP(O)(=O)CCC(N)C([O-])=O","77182-82-2","CP(=O)(O)CCC(N)C(=O)[O-]","CP(=O)(O)CCC(N)C(=O)O","[NH4+]",{"$nulls":3},198.07694358999998,"Structure has been neutralized"]
[5236,null,"77186-02-8",{"$nulls":7},""]
[5237,"CC(C)C[CH](N)C(O)=N[CH](C)C(O)=NCC(O)=O","77214-70-1","CC(C)CC(N)C(O)=NC(C)C(O)=NCC(=O)O","CC(C)CC(N)C(O)=NC(C)C(O)=NCC(=O)O",{"$nulls":4},259.1532061520001,"?"]
[5238,"CCOC(=O)N(C)CC","77333-18-7","CCOC(=O)N(C)CC","CCOC(=O)N(C)CC",{"$nulls":4},131.094628656,"?"]
[5239,"CCCSP(=O)(OCC)OC1=CN(N=C1)C1=CC=C(Cl)C=C1","77458-01-6","CCCSP(=O)(OCC)Oc1cnn(-c2ccc(Cl)cc2)c1","CCCSP(=O)(OCC)Oc1cn(nc1)-c2ccc(cc2)Cl",{"$nulls":4},360.04642774600046,"?"]
[5240,"CCOC(=O)C(C)OC(=O)C1=C(C=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=C1)[N+]([O-])=O","77501-63-4","CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOC(=O)C(C)OC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",{"$nulls":4},461.0489141600004,"?"]
[5241,null,"77501-90-7",{"$nulls":7},""]
[5242,"CCOC(CC(C)O)OCC","77533-80-3","CCOC(CC(C)O)OCC","CCOC(CC(C)O)OCC",{"$nulls":4},162.125594436,"?"]
[5243,"NNC1=NC=NC2=C1N=CC=N2","77632-11-2","NNc1ncnc2nccnc12","NNc1c2c(ncn1)nccn2",{"$nulls":4},162.06539419199999,"?"]
[5244,null,"77633-51-3",{"$nulls":7},""]
[5245,"COCC(=O)N(N1CCOC1=O)C1=C(C)C=CC=C1C","77732-09-3","COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O","COCC(=O)N(c1c(cccc1C)C)N2C(OCC2)=O",{"$nulls":4},278.1266570560005,"?"]
[5246,null,"78002-37-6",{"$nulls":7},""]
[5247,"CCCCCCN=C(O)C1=CN=CC=C1","78114-56-4","CCCCCCN=C(O)c1cccnc1","CCCCCCN=C(O)c1cnccc1",{"$nulls":4},206.141913196,"?"]
[5248,null,"78183-37-6",{"$nulls":7},""]
[5249,"C[CH]1[CH](SC(=O)N1C(=O)NC1CCCCC1)C1=CC=C(Cl)C=C1","78587-05-0","CC1C(c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCCC1","CC1N(C(SC1c2ccc(cc2)Cl)=O)C(=O)NC3CCCCC3",{"$nulls":4},352.1012265920006,"?"]
[5250,"COC1=C(OC)C(=C(C=C1)C(O)=O)[N+]([O-])=O","79025-28-8","COc1ccc(C(=O)O)c([N+](=O)[O-])c1OC","COc1c(c(c(cc1)C(=O)O)[N+](=O)[O-])OC",{"$nulls":4},227.042987008,"?"]
[5251,"CCOC(=O)NCCOC1=CC=C(OC2=CC=CC=C2)C=C1","79127-80-3","CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2",{"$nulls":4},301.1314080880005,"?"]
[5252,"CCCCOC(=O)[CH](C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1","79241-46-6","CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1","CCCCOC(=O)C(C)Oc1ccc(cc1)Oc2ncc(cc2)C(F)(F)F",{"$nulls":4},383.1344427800006,"?"]
[5253,"COC(=O)C1=C(C=CS1)S(=O)(=O)NC(=O)NC1=NC(C)=NC(OC)=N1","79277-27-3","COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1","COC(=O)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC",{"$nulls":4},387.03072513600046,"?"]
[5254,null,"79538-32-2",{"$nulls":7},""]
[5255,"CCOCOC1=CC=C(C=C1)C(=O)NC1=CC=CC(Cl)=C1Cl","79540-50-4","CCOCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1","CCOCOc1ccc(cc1)C(=O)Nc2c(c(ccc2)Cl)Cl",{"$nulls":4},339.0428987000004,"?"]
[5256,"CCC(CC)C(=O)N(CC)CC","79868-38-5","CCC(CC)C(=O)N(CC)CC","CCC(CC)C(=O)N(CC)CC",{"$nulls":4},171.162314292,"?"]
[5257,"CCC(C)(C)C(=O)O[CH]1C[CH](C)C=C2C=C[CH](C)[CH](CC[CH]3C[CH](O)CC(=O)O3)[CH]12","79902-63-9","CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21","CCC(C)(C)C(=O)OC1C2C(=CC(C1)C)C=CC(C)C2CCC3OC(CC(C3)O)=O",{"$nulls":4},418.271924316001,"?"]
[5258,"CCCCC(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1Cl","79983-71-4","CCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl","CCCCC(O)(Cn1ncnc1)c2c(cc(cc2)Cl)Cl",{"$nulls":4},313.07486752400047,"?"]
[5259,"CC(C)C1=CC(OC2=CC=CC=C2)=CC(C(C)C)=C1NC(=S)NC(C)(C)C","80060-09-9","CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C","CC(C)c1c(c(cc(c1)Oc2ccccc2)C(C)C)NC(=S)NC(C)(C)C",{"$nulls":4},384.22353464400095,"?"]
[5260,"CCOC1=CC=C(C=C1)C(C)(C)COCC1=CC(OC2=CC=CC=C2)=CC=C1","80844-07-1","CCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1","CCOc1ccc(cc1)C(C)(C)COCc2cc(ccc2)Oc3ccccc3",{"$nulls":4},376.20384475600076,"?"]
[5261,"CC(C)C1(C)N=C(NC1=O)C1=NC=CC=C1C(O)=O","81334-34-1","CC(C)C1(C)N=C(c2ncccc2C(=O)O)NC1=O","CC(C)C1(C(NC(=N1)c2c(cccn2)C(=O)O)=O)C",{"$nulls":4},261.11134134000014,"?"]
[5262,"CC(C)C1(C)N=C(NC1=O)C1=NC2=C(C=CC=C2)C=C1C(O)=O","81335-37-7","CC(C)C1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O","CC(C)C1(C(NC(=N1)c2c(cc3c(n2)cccc3)C(=O)O)=O)C",{"$nulls":4},311.1269914040004,"?"]
[5263,"CCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O","81335-77-5","CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1","CCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O",{"$nulls":4},289.14264146800053,"?"]
[5264,null,"81405-85-8",{"$nulls":7},""]
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[5266,"CCCCCCCCN=C(O)C1=CN=CC=C1","81475-34-5","CCCCCCCCN=C(O)c1cccnc1","CCCCCCCCN=C(O)c1cnccc1",{"$nulls":4},234.173213324,"?"]
[5267,"CCCCCCCCCN=C(O)C1=CN=CC=C1","81475-35-6","CCCCCCCCCN=C(O)c1cccnc1","CCCCCCCCCN=C(O)c1cnccc1",{"$nulls":4},248.188863388,"?"]
[5268,"CCCCCCCCCCNC(=O)C1=CN=CC=C1","81475-36-7","CCCCCCCCCCNC(=O)c1cccnc1","CCCCCCCCCCNC(=O)c1cnccc1",{"$nulls":4},262.2045134520002,"?"]
[5269,"CCCCCCCCCCCN=C(O)C1=CN=CC=C1","81475-37-8","CCCCCCCCCCCN=C(O)c1cccnc1","CCCCCCCCCCCN=C(O)c1cnccc1",{"$nulls":4},276.2201635160006,"?"]
[5270,"CCCCCCCCCCCCNC(=O)C1=CN=CC=C1","81475-38-9","CCCCCCCCCCCCNC(=O)c1cccnc1","CCCCCCCCCCCCNC(=O)c1cnccc1",{"$nulls":4},290.2358135800008,"?"]
[5271,"CC1(C)CON(CC2=C(Cl)C=CC=C2)C1=O","81777-89-1","CC1(C)CON(Cc2ccccc2Cl)C1=O","CC1(C(N(OC1)Cc2c(cccc2)Cl)=O)C",{"$nulls":4},239.071306368,"?"]
[5272,null,"81882-67-9",{"$nulls":7},""]
[5273,"COC1=NC(C)=NC(NC(=O)NS(=O)(=O)C2=C(OCCCl)C=CC=C2)=N1","82097-50-5","COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1","COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c2c(cccc2)OCCCl",{"$nulls":4},401.0560672920005,"?"]
[5274,"CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1","82110-72-3","CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",{"$nulls":4},361.07170029200046,"?"]
[5275,"ON=C1C=CC(=NO)C2=C1C=CC=N2","82153-77-3","ON=C1C=CC(=NO)c2ncccc21","ON=C1c2c(C(C=C1)=NO)nccc2",{"$nulls":4},189.053826464,"?"]
[5276,null,"82200-72-4",{"$nulls":7},""]
[5277,"OC(C1=CC=CC=C1)C1=C(NC(=O)C2=CC=NC=C2)C=CC(Cl)=C1","82211-24-3","O=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccncc1","O=C(Nc1c(cc(cc1)Cl)C(O)c2ccccc2)c3ccncc3",{"$nulls":4},338.0822054000004,"?"]
[5278,null,"82310-91-6",{"$nulls":7},""]
[5279,"CCC(C)(CC)C1=NOC(NC(=O)C2=C(OC)C=CC=C2OC)=C1","82558-50-7","CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1","CCC(C)(CC)c1noc(c1)NC(=O)c2c(cccc2OC)OC",{"$nulls":4},332.1736072480007,"?"]
[5280,"CCOC(=O)CCN(SN(C)C(=O)OC1=CC=CC2=C1OC(C)(C)C2)C(C)C","82560-54-1","CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(C)C","CCOC(=O)CCN(SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C)C(C)C",{"$nulls":4},410.1875430600008,"?"]
[5281,"CCOC(C)CCO","82655-81-0","CCOC(C)CCO","CCOC(C)CCO",{"$nulls":4},118.099379688,"?"]
[5282,"CC1=C(C=CC=C1COC(=O)[CH]1[CH](C=C(Cl)C(F)(F)F)C1(C)C)C1=CC=CC=C1","82657-04-3","Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1","Cc1c(cccc1COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)-c3ccccc3",{"$nulls":4},422.1260422840006,"?"]
[5283,"CN1N=C(C)C(C(=O)C2=C(Cl)C(C)=C(Cl)C=C2)=C1OCC(=O)C1=CC=C(C)C=C1","82692-44-2","Cc1ccc(C(=O)COc2c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn2C)cc1","Cc1ccc(cc1)C(=O)COc2n(nc(c2C(=O)c3c(c(c(cc3)Cl)C)Cl)C)C",{"$nulls":4},430.0850978600005,"?"]
[5284,null,"82971-12-8",{"$nulls":7},""]
[5285,null,"83055-99-6",{"$nulls":7},""]
[5286,"FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=C(F)C(Cl)=C(F)C(Cl)=C1","83121-18-0","O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(F)c(Cl)c1F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(c(c(c(c2)Cl)F)Cl)F",{"$nulls":4},379.97424567200017,"?"]
[5287,"CCOC(=O)CCN(CC1=CC=CC=C1)SN(C)C(=O)ON=C(C)SC","83130-01-2","CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC","CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC",{"$nulls":4},399.1286482800007,"?"]
[5288,"FC1=CC=C(NC(=O)C2=C(OC3=CC(=CC=C3)C(F)(F)F)N=CC=C2)C(F)=C1","83164-33-4","O=C(Nc1ccc(F)cc1F)c1cccnc1Oc1cccc(C(F)(F)F)c1","O=C(Nc1c(cc(cc1)F)F)c2c(nccc2)Oc3cc(ccc3)C(F)(F)F",{"$nulls":4},394.07406869200037,"?"]
[5289,"OC(=O)C(I)=C(Br)I","83442-56-2","O=C(O)C(I)=C(Br)I","O=C(O)C(I)=C(Br)I",{"$nulls":4},401.72493737200006,"?"]
[5290,null,"83572-31-0",{"$nulls":7},""]
[5291,"CC(C)(C)[CH](O)C(=CC1=CC=C(Cl)C=C1)N1C=NC=N1","83657-17-4","CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},291.11383987600055,"?"]
[5292,"CC(C)(C)C(O)C(=CC1=CC=C(Cl)C=C1)N1C=NC=N1","83657-22-1","CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},291.11383987600055,"?"]
[5293,"CC(C)(C)C(O)C(=CC1=C(Cl)C=C(Cl)C=C1)N1C=NC=N1","83657-24-3","CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1Cl)n1cncn1","CC(C)(C)C(O)C(=Cc1c(cc(cc1)Cl)Cl)n2ncnc2",{"$nulls":4},325.0748675240005,"?"]
[5294,null,"83733-82-8",{"$nulls":7},""]
[5295,"OC(=O)C1=C2N=CC=CC2=C(C=C1)N(=O)=O","83848-59-3","O=C(O)c1ccc([N+](=O)[O-])c2cccnc12","O=C(O)c1c2c(c(cc1)[N+](=O)[O-])cccn2",{"$nulls":4},218.032756672,"?"]
[5296,"OS(=O)(=O)C1=CC2=C(OC3=CC=CC=C23)C=C1","83863-63-2","O=S(=O)(O)c1ccc2oc3ccccc3c2c1","O=S(=O)(O)c1cc2c(cc1)oc3c2cccc3",{"$nulls":4},248.014329736,"?"]
[5297,"NCCCC[CH](N[CH](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[CH]1C(O)=O","83915-83-7","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N2C(CCC2)C(=O)O",{"$nulls":4},405.2263710920008,"?"]
[5298,"CCOC(=O)C1(C)OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1","84332-86-5","CCOC(=O)C1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",{"$nulls":4},331.0014278120003,"?"]
[5299,null,"84408-37-7",{"$nulls":7},""]
[5300,"CC(OC1=C(Cl)C(C)=C(Cl)C=C1)C(O)=NC1=CC=CC=C1","84496-56-0","Cc1c(Cl)ccc(OC(C)C(O)=Nc2ccccc2)c1Cl","Cc1c(c(ccc1Cl)OC(C)C(O)=Nc2ccccc2)Cl",{"$nulls":4},323.04798408000045,"?"]
[5301,"CCCCCSS(=O)CCCCC","84549-06-4","CCCCCSS(=O)CCCCC","CCCCCSS(=O)CCCCC",{"$nulls":4},222.111207324,"?"]
[5302,"COCCCCC=O","84629-00-5","COCCCCC=O","COCCCCC=O",{"$nulls":4},116.083729624,"?"]
[5303,null,"84659-98-3",{"$nulls":7},""]
[5304,"CCC(=O)OCC1=C(Cl)C=C(Cl)C=C1","85262-94-8","CCC(=O)OCc1ccc(Cl)cc1Cl","CCC(=O)OCc1c(cc(cc1)Cl)Cl",{"$nulls":4},232.00578492,"?"]
[5305,"C[Si](CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1","85509-19-9","C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1","C[Si](Cn1ncnc1)(c2ccc(cc2)F)c3ccc(cc3)F",{"$nulls":4},315.1003304500004,"?"]
[5306,null,"85576-52-9",{"$nulls":7},""]
[5307,"OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O","85721-33-1","O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O","O=C(O)c1c(c2c(n(c1)C3CC3)cc(N4CCNCC4)c(F)c2)=O",{"$nulls":4},331.13321965600045,"?"]
[5308,null,"85763-15-1",{"$nulls":7},""]
[5309,"CCN(C(C)C(C)C)C(=O)SCC1=CC=CC=C1","85785-20-2","CCN(C(=O)SCc1ccccc1)C(C)C(C)C","CCN(C(=O)SCc1ccccc1)C(C)C(C)C",{"$nulls":4},265.1500353560003,"?"]
[5310,"COC(=O)C1=C(C=CC=C1)S(=O)(=O)NC(=O)NC1=NC(OC(F)F)=CC(OC(F)F)=N1","86209-51-0","COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC(F)F)OC(F)F",{"$nulls":4},468.03628260400035,"?"]
[5311,"FC(F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl","86479-06-3","O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)F)c(Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(c(c2)Cl)OC(F)(F)C(F)F)Cl",{"$nulls":4},459.9816167960002,"?"]
[5312,"ClC1=CC=C(CSC(CN2C=NC=N2)=NC2=C(Cl)C=C(Cl)C=C2)C=C1","86598-92-7","Clc1ccc(CSC(Cn2cncn2)=Nc2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)CSC(Cn2ncnc2)=Nc3c(cc(cc3)Cl)Cl",{"$nulls":4},409.9926504560004,"?"]
[5313,"CCC1=CC=CC(C)=C1N(COC(C)C)C(=O)CCl","86763-47-5","CCc1cccc(C)c1N(COC(C)C)C(=O)CCl","CCc1c(c(ccc1)C)N(COC(C)C)C(=O)CCl",{"$nulls":4},283.1339066240006,"?"]
[5314,"FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC(OC2=NC=C(C=C2Cl)C(F)(F)F)=C(Cl)C=C1","86811-58-7","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)Cl)Oc3c(cc(cn3)C(F)(F)F)Cl",{"$nulls":4},505.00193764000034,"?"]
[5315,null,"87052-64-0",{"$nulls":7},""]
[5316,null,"87130-20-9",{"$nulls":7},""]
[5317,"CCOCCOC(=O)C(C)OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1","87237-48-7","CCOCCOC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1","CCOCCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl",{"$nulls":4},433.09038504800054,"?"]
[5318,"CCC1=CC=CC(CC)=C1N(COCC=CC)C(=O)CCl","87310-56-3","CC=CCOCN(C(=O)CCl)c1c(CC)cccc1CC","CC=CCOCN(C(=O)CCl)c1c(cccc1CC)CC",{"$nulls":4},309.14955668800064,"?"]
[5319,"CCCCCOC(=O)COC1=C(Cl)C=C(F)C(=C1)N1C(=O)C2=C(CCCC2)C1=O","87546-18-7","CCCCCOC(=O)COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl","CCCCCOC(=O)COc1c(cc(c(c1)N2C(C3=C(C2=O)CCCC3)=O)F)Cl",{"$nulls":4},423.12487873600065,"?"]
[5320,"COCC(C)N(C(=O)CCl)C1=C(C)SC=C1C","87674-68-8","COCC(C)N(C(=O)CCl)c1c(C)csc1C","COCC(C)N(C(=O)CCl)c1c(scc1C)C",{"$nulls":4},275.0746774960005,"?"]
[5321,"CC(OC1=CC=C(OC2=NC=C(Cl)C=C2Cl)C=C1)C(=O)N1CCCO1","87757-18-4","CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N1CCCO1","CC(Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl)C(=O)N3OCCC3",{"$nulls":4},382.04871235200045,"?"]
[5322,"CC(C)[C]12CC[C](C)(O1)[CH](C2)OCC1=C(C)C=CC=C1","87818-31-3","Cc1ccccc1COC1CC2(C(C)C)CCC1(C)O2","Cc1c(cccc1)COC2C3(CCC(C2)(O3)C(C)C)C",{"$nulls":4},274.1932800720005,"?"]
[5323,null,"87970-03-4",{"$nulls":7},""]
[5324,null,"87970-05-6",{"$nulls":7},""]
[5325,null,"87984-85-8",{"$nulls":7},""]
[5326,null,"87989-21-7",{"$nulls":7},""]
[5327,null,"88333-02-2",{"$nulls":7},""]
[5328,"FC(F)(F)C(=NOCC1OCCO1)C1=CC=C(Cl)C=C1","88485-37-4","FC(F)(F)C(=NOCC1OCCO1)c1ccc(Cl)cc1","FC(F)(F)C(=NOCC1OCCO1)c2ccc(cc2)Cl",{"$nulls":4},309.0379555520003,"?"]
[5329,"CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1","88671-89-0","CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1","CCCCC(C#N)(Cn1ncnc1)c2ccc(cc2)Cl",{"$nulls":4},288.11417422400046,"?"]
[5330,"COC1=CC=CC(=N1)N(C)C(=S)OC1=CC=CC(=C1)C(C)(C)C","88678-67-5","COc1cccc(N(C)C(=S)Oc2cccc(C(C)(C)C)c2)n1","COc1nc(ccc1)N(C)C(=S)Oc2cc(ccc2)C(C)(C)C",{"$nulls":4},330.14019894400064,"?"]
[5331,"OC(=O)C(Br)=C(Cl)Br","88917-04-8","O=C(O)C(Br)=C(Cl)Br","O=C(O)C(Br)=C(Cl)Br",{"$nulls":4},261.80318115200004,"?"]
[5332,"OC(=O)C(Cl)=C(Br)Br","88917-05-9","O=C(O)C(Cl)=C(Br)Br","O=C(O)C(Cl)=C(Br)Br",{"$nulls":4},261.80318115200004,"?"]
[5333,null,"88917-22-0",{"$nulls":7},""]
[5334,"CC(O)C(N(=O)=O)N(=O)=O","89167-84-0","CC(O)C([N+](=O)[O-])[N+](=O)[O-]","CC(O)C([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},150.027671292,"?"]
[5335,"CC(=NNC1=NC(C)=CC(C)=N1)C1=CC=CC=C1C","89269-64-7","CC(=NNc1nc(C)cc(C)n1)c1ccccc1C","CC(=NNc1nc(cc(n1)C)C)c2c(cccc2)C",{"$nulls":4},254.15314657599998,"?"]
[5336,null,"89322-91-8",{"$nulls":7},""]
[5337,null,"89395-25-5",{"$nulls":7},""]
[5338,"CN1C2=C(C=NC1=O)N=C(O)N2","89418-24-6","Cn1c(=O)ncc2nc(O)[nH]c21","Cn1c2c(cnc1=O)nc(O)[nH]2",{"$nulls":4},166.049075432,"?"]
[5339,null,"89482-17-7",{"$nulls":7},""]
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[5652,null,"123796-70-3",{"$nulls":7},""]
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[5701,"CCOC(=O)C(=CC1=CC(OC)=C(OC)C=C1)N=CO","136986-58-8","CCOC(=O)C(=Cc1ccc(OC)c(OC)c1)N=CO","CCOC(=O)C(=Cc1cc(c(cc1)OC)OC)N=CO",{"$nulls":4},279.1106726440005,"?"]
[5702,"CCOC(=O)C(=CC1=CC=C(OC)C=C1)N=CO","136986-59-9","CCOC(=O)C(=Cc1ccc(OC)cc1)N=CO","CCOC(=O)C(=Cc1ccc(cc1)OC)N=CO",{"$nulls":4},249.10010796,"?"]
[5703,"CCOC(=O)C(=CC1=CC=C(C=C1)N(=O)=O)N=CO","136986-60-2","CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)N=CO","CCOC(=O)C(=Cc1ccc(cc1)[N+](=O)[O-])N=CO",{"$nulls":4},264.07462148400026,"?"]
[5704,"CCOC(=O)C(=CC1=CC(=CC=C1)N(=O)=O)N=CO","136986-61-3","CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)N=CO","CCOC(=O)C(=Cc1cc(ccc1)[N+](=O)[O-])N=CO",{"$nulls":4},264.07462148400026,"?"]
[5705,"CCOC(=O)C(=CC1=CC=C(Cl)C=C1)N=CO","136986-62-4","CCOC(=O)C(=Cc1ccc(Cl)cc1)N=CO","CCOC(=O)C(=Cc1ccc(cc1)Cl)N=CO",{"$nulls":4},253.050570924,"?"]
[5706,null,"136991-36-1",{"$nulls":7},""]
[5707,"CCOC(=O)C(=CC1=CC(Cl)=CC=C1)N=CO","137013-29-7","CCOC(=O)C(=Cc1cccc(Cl)c1)N=CO","CCOC(=O)C(=Cc1cc(ccc1)Cl)N=CO",{"$nulls":4},253.050570924,"?"]
[5708,"[O-][N+](=O)N=C1NCCN1CC1=CN=C(Cl)C=C1","138261-41-3","O=[N+]([O-])N=C1NCCN1Cc1ccc(Cl)nc1","O=[N+]([O-])N=C1N(CCN1)Cc2cnc(cc2)Cl",{"$nulls":4},255.05230224,"?"]
[5709,"COC1=NC2=NC(=NN2C(OC)=C1)S(=O)(=O)NC1=C(Cl)C(C)=CC=C1Cl","139528-85-1","COc1cc(OC)n2nc(S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl)nc2n1","COc1nc2n(c(c1)OC)nc(S(=O)(=O)Nc3c(c(ccc3Cl)C)Cl)n2",{"$nulls":4},417.00653025600036,"?"]
[5710,"CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1=C(ON=C1)C1CC1","141112-29-0","CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1","CS(=O)(=O)c1c(ccc(c1)C(F)(F)F)C(=O)c2c(onc2)C3CC3",{"$nulls":4},359.04391352400035,"?"]
[5711,"CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC1=NC(OC)=CC(OC)=N1","141776-32-1","CCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCS(=O)(=O)c1c(n2c(n1)cccc2)S(=O)(=O)NC(=O)Nc3nc(cc(n3)OC)OC",{"$nulls":4},470.06783891600054,"?"]
[5712,"CC(C)N(C(=O)COC1=NN=C(S1)C(F)(F)F)C1=CC=C(F)C=C1","142459-58-3","CC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1","CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c2ccc(cc2)F",{"$nulls":4},363.06646053600036,"?"]
[5713,null,"143390-89-0",{"$nulls":7},""]
[5714,"CC1=CC(C)=NC(NC(=O)NS(=O)(=O)C2=C(C=CC=C2)C(=O)OC2COC2)=N1","144651-06-9","Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC2COC2)n1","Cc1nc(nc(c1)C)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC3COC3",{"$nulls":4},406.0947052960005,"?"]
[5715,null,"145348-19-2",{"$nulls":7},""]
[5716,null,"145348-20-5",{"$nulls":7},""]
[5717,null,"145348-21-6",{"$nulls":7},""]
[5718,null,"145348-22-7",{"$nulls":7},""]
[5719,null,"145348-23-8",{"$nulls":7},""]
[5720,null,"145348-24-9",{"$nulls":7},""]
[5721,null,"145348-25-0",{"$nulls":7},""]
[5722,null,"145348-26-1",{"$nulls":7},""]
[5723,null,"145348-27-2",{"$nulls":7},""]
[5724,"N[CH]1[CH]2CN(C[CH]12)C1=C(F)C=C2C(=O)C(=CN(C3=CC=C(F)C=C3F)C2=N1)C(O)=O","147059-72-1","NC1C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC12","NC1C2C1CN(c3c(cc4c(n3)n(cc(c4=O)C(=O)O)-c5c(cc(cc5)F)F)F)C2",{"$nulls":4},416.1096250000004,"?"]
[5725,"CCOC1=NC(F)=CC2=NC(=NN12)S(=O)(=O)NC1=C(C=CC=C1Cl)C(O)=O","147150-35-4","CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3C(=O)O)nn12","CCOc1n2c(cc(n1)F)nc(S(=O)(=O)Nc3c(cccc3Cl)C(=O)O)n2",{"$nulls":4},415.0153453520002,"?"]
[5726,null,"149877-41-8",{"$nulls":7},""]
[5727,"CC1=C(C(=O)N(CO1)C(C)(C)C1=CC(Cl)=CC(Cl)=C1)C1=CC=CC=C1","153197-14-9","CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)CO1","CC=1OCN(C(C1c2ccccc2)=O)C(C)(C)c3cc(cc(c3)Cl)Cl",{"$nulls":4},375.07928420800056,"?"]
[5728,"CCOC1=C(C=CC(=C1)C(C)(C)C)C1COC(=N1)C1=C(F)C=CC=C1F","153233-91-1","CCOc1cc(C(C)(C)C)ccc1C1COC(c2c(F)cccc2F)=N1","CCOc1c(ccc(c1)C(C)(C)C)C2N=C(OC2)c3c(cccc3F)F",{"$nulls":4},359.1696854160007,"?"]
[5729,null,"154486-27-8",{"$nulls":7},""]
[5730,"ClC1=CC(Cl)=C(OC2=CC(Cl)=CC=C2)C=C1","155999-93-2","Clc1cccc(Oc2ccc(Cl)cc2Cl)c1","Clc1cc(ccc1)Oc2c(cc(cc2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5731,"ClC1=CC=C(OC2=CC=CC(Cl)=C2Cl)C=C1","157683-71-1","Clc1ccc(Oc2cccc(Cl)c2Cl)cc1","Clc1ccc(cc1)Oc2c(c(ccc2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5732,"ClC1=CC=C(OC2=C(Cl)C=CC=C2Cl)C=C1","157683-72-2","Clc1ccc(Oc2c(Cl)cccc2Cl)cc1","Clc1ccc(cc1)Oc2c(cccc2Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5733,"CCN(C1CCCCC1)C(=O)N1N=NN(C1=O)C1=CC=CC=C1Cl","158237-07-1","CCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCCC1","CCN(C(=O)n1c(n(nn1)-c2c(cccc2)Cl)=O)C3CCCCC3",{"$nulls":4},349.1305525600006,"?"]
[5734,null,"160790-03-4",{"$nulls":7},""]
[5735,null,"160790-04-5",{"$nulls":7},""]
[5736,null,"160790-05-6",{"$nulls":7},""]
[5737,null,"160790-06-7",{"$nulls":7},""]
[5738,null,"160790-07-8",{"$nulls":7},""]
[5739,null,"160790-08-9",{"$nulls":7},""]
[5740,null,"160790-09-0",{"$nulls":7},""]
[5741,null,"160790-10-3",{"$nulls":7},""]
[5742,null,"160790-13-6",{"$nulls":7},""]
[5743,null,"160790-14-7",{"$nulls":7},""]
[5744,null,"160790-17-0",{"$nulls":7},""]
[5745,null,"160790-18-1",{"$nulls":7},""]
[5746,null,"160790-19-2",{"$nulls":7},""]
[5747,null,"160791-64-0",{"$nulls":7},""]
[5748,null,"161050-58-4",{"$nulls":7},""]
[5749,"ClC1=CC(OC2=CC=CC=C2)=C(Cl)C(Cl)=C1","162853-24-9","Clc1cc(Cl)c(Cl)c(Oc2ccccc2)c1","Clc1cc(c(c(c1)Cl)Cl)Oc2ccccc2",{"$nulls":4},271.95624788400016,"?"]
[5750,"ClC1=C(Cl)C(OC2=CC=CC=C2)=C(Cl)C=C1","162853-25-0","Clc1ccc(Cl)c(Oc2ccccc2)c1Cl","Clc1c(c(c(cc1)Cl)Oc2ccccc2)Cl",{"$nulls":4},271.95624788400016,"?"]
[5751,"CC(C)OC(=O)C1=CC(C2=NN(C)C(=C2Br)C(F)(F)F)=C(F)C=C1Cl","174514-07-9","CC(C)OC(=O)c1cc(-c2nn(C)c(C(F)(F)F)c2Br)c(F)cc1Cl","CC(C)OC(=O)c1c(cc(c(c1)-c2c(c(n(n2)C)C(F)(F)F)Br)F)Cl",{"$nulls":4},441.97068028400037,"?"]
[5752,null,"185676-84-0",{"$nulls":7},""]
[5753,"CCOC(=O)C(=CC1=CC=CC=C1Cl)N=CO","336111-17-2","CCOC(=O)C(=Cc1ccccc1Cl)N=CO","CCOC(=O)C(=Cc1c(cccc1)Cl)N=CO",{"$nulls":4},253.050570924,"?"]
[5754,null,"336111-18-3",{"$nulls":7},""]
[5755,null,"SRC002-52-9",{"$nulls":7},""]
[5756,null,"SRC003-41-9",{"$nulls":7},""]
[5757,null,"SRC003-42-0",{"$nulls":7},""]
[5758,null,"SRC003-56-1",{"$nulls":7},""]
[5759,null,"SRC003-56-2",{"$nulls":7},""]
[5760,null,"SRC003-67-2",{"$nulls":7},""]
[5761,null,"SRC003-67-3",{"$nulls":7},""]
[5762,null,"SRC003-67-4",{"$nulls":7},""]
[5763,"NC1=C(OC2CC=C(C=C2)N2CCCCCC2=O)C=C(O)C2=C1C(=O)C1=CC=CC=C1C2=O","SRC003-67-5","Nc1c(OC2C=CC(N3CCCCCC3=O)=CC2)cc(O)c2c1C(=O)c1ccccc1C2=O","Nc1c2c(c(cc1OC3CC=C(C=C3)N4C(CCCCC4)=O)O)C(c5c(C2=O)cccc5)=O",{"$nulls":4},444.1685218680006,"?"]
[5764,null,"SRC003-73-3",{"$nulls":7},""]

{"sheet":"Counterions_CompTox_Name","index":8,"n_rows":5762,"n_cols":12,"rows_kept":5762}
["Original ID","smiles","CAS_NO","Main molecule","smiles - Neutralized","Counterion 1","Counterion 2","Counterion 3","Counterion 4","Molecular Weight","Warnings - Neutralization","Counterion 5"]
[1,null,"50-00-0",{"$nulls":7},""]
[2,"[H][C]12C[CH](C)[C](O)(C(=O)CO)[C]1(C)C[CH](O)[C]1(F)[C]2([H])CCC2=CC(=O)C=C[C]12C","50-02-2","CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",{"$nulls":4},392.19990224800074,"?"]
[3,"CC(=O)OCC(=O)[C]1(O)CCC2C3CCC4=CC(=O)CC[C]4(C)C3[CH](O)C[C]12C","50-03-3","CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O",{"$nulls":4},404.2198887440009,"?"]
[4,null,"50-04-4",{"$nulls":7},""]
[5,null,"50-06-6",{"$nulls":7},""]
[6,"CCC1(CC)C(=O)NC(=O)N(C)C1=O","50-11-3","CCC1(CC)C(=O)NC(=O)N(C)C1=O","CCC1(C(N(C(NC1=O)=O)C)=O)CC",{"$nulls":4},198.100442308,"?"]
[7,null,"50-13-5",{"$nulls":7},""]
[8,"ClCCN(CCCl)P1(=O)NCCCO1","50-18-0","O=P1(N(CCCl)CCCl)NCCCO1","O=P1(OCCCN1)N(CCCl)CCCl",{"$nulls":4},260.0248197100001,"?"]
[9,null,"50-19-1",{"$nulls":7},""]
[10,"CC(O)C(O)=O","50-21-5","CC(O)C(=O)O","CC(O)C(=O)O",{"$nulls":4},90.031694052,"?"]
[11,"C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2C(=O)CO","50-22-6","CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C)C(C(=O)CO)CC4",{"$nulls":4},346.2144094400008,"?"]
[12,"C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[C]2(O)C(=O)CO","50-23-7","CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C",{"$nulls":4},362.20932406000077,"?"]
[13,"C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CC[C]2(O)C(=O)CO","50-24-8","CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(C=C1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C",{"$nulls":4},360.1936739960007,"?"]
[14,"[H][C]12CC[CH](O)[C]1(C)CC[C]1([H])C3=CC=C(O)C=C3CC[C]21[H]","50-28-2","CC12CCC3c4ccc(O)cc4CCC3C1CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O",{"$nulls":4},272.17763000800045,"?"]
[15,null,"50-29-3",{"$nulls":7},""]
[16,"OC(=O)C1=C(Cl)C=CC=C1Cl","50-30-6","O=C(O)c1c(Cl)cccc1Cl","O=C(O)c1c(cccc1Cl)Cl",{"$nulls":4},189.958834728,"?"]
[17,"OC(=O)C1=C(Cl)C(Cl)=CC=C1Cl","50-31-7","O=C(O)c1c(Cl)ccc(Cl)c1Cl","O=C(O)c1c(c(ccc1Cl)Cl)Cl",{"$nulls":4},223.919862376,"?"]
[18,"C1=CC2=CC3=CC=C4C=CC=C5C=CC(=C2C=C1)C3=C45","50-32-8","c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34","c1cc2c(cc1)c3ccc4cccc5ccc(c2)c3c54",{"$nulls":4},252.093900384,"?"]
[19,"CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1","50-33-9","CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O",{"$nulls":4},308.15247788000056,"?"]
[20,"O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12","50-35-1","O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1","O=C1NC(C(CC1)N2C(c3c(C2=O)cccc3)=O)=O",{"$nulls":4},258.06405680000006,"?"]
[21,"COC(=O)[CH]1[CH]2CC[CH](C[CH]1OC(=O)C1=CC=CC=C1)N2C","50-36-2","COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C","COC(=O)C1C2CCC(CC1OC(=O)c3ccccc3)N2C",{"$nulls":4},303.1470581520006,"?"]
[22,"S=C1NC=NC2=C1N=CN2","50-44-2","S=c1[nH]cnc2[nH]cnc12","S=c1c2c(nc[nH]1)[nH]cn2",{"$nulls":4},152.015667128,"?"]
[23,"CNCCCN1C2=C(CCC3=C1C=CC=C3)C=CC=C2","50-47-5","CNCCCN1c2ccccc2CCc2ccccc21","CNCCCN1c2c(CCc3c1cccc3)cccc2",{"$nulls":4},266.17829870400027,"?"]
[24,"CN(C)CCC=C1C2=CC=CC=C2CCC2=C1C=CC=C2","50-48-6","CN(C)CCC=C1c2ccccc2CCc2ccccc21","CN(C)CCC=C1c2c(CCc3c1cccc3)cccc2",{"$nulls":4},277.1830497360006,"?"]
[25,"CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12","50-49-7","CN(C)CCCN1c2ccccc2CCc2ccccc21","CN(C)CCCN1c2c(CCc3c1cccc3)cccc2",{"$nulls":4},280.19394876800067,"?"]
[26,"CN(C)CCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2","50-53-3","CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21","CN(C)CCCN1c2c(Sc3c1cccc3)ccc(Cl)c2",{"$nulls":4},318.09574728800055,"?"]
[27,"[H][C]12C[CH](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[CH](OC)[CH](C(=O)OC)[C]1([H])C[C]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2","50-55-5","COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC","COC(=O)C1C(C(CC2C1CC3N(CCc4c3[nH]c5c4ccc(c5)OC)C2)OC(=O)c6cc(c(c(c6)OC)OC)OC)OC",{"$nulls":4},608.2733808600011,"?"]
[28,"OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O","50-65-7","O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O",{"$nulls":4},325.9861120960002,"?"]
[29,"NCCC1=CNC2=CC=C(O)C=C12","50-67-9","NCCc1c[nH]c2ccc(O)cc12","NCCc1c2c([nH]c1)ccc(O)c2",{"$nulls":4},176.094963004,"?"]
[30,"OC[CH](O)[CH](O)[CH](O)[CH](O)CO","50-70-4","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",{"$nulls":4},182.079038168,"?"]
[31,"CC(=O)OC1=C(C=CC=C1)C(O)=O","50-78-2","CC(=O)Oc1ccccc1C(=O)O","CC(=O)Oc1c(cccc1)C(=O)O",{"$nulls":4},180.042258736,"?"]
[32,"OC(=O)C1=CC(Cl)=CC=C1Cl","50-79-3","O=C(O)c1cc(Cl)ccc1Cl","O=C(O)c1c(ccc(c1)Cl)Cl",{"$nulls":4},189.958834728,"?"]
[33,"[H][C]1(OC(=O)C(O)=C1O)[CH](O)CO","50-81-7","O=C1OC(C(O)CO)C(O)=C1O","O=C1C(=C(C(O1)C(O)CO)O)O",{"$nulls":4},176.032087976,"?"]
[34,"OC(=O)C1=CC(Cl)=C(Cl)C=C1Cl","50-82-8","O=C(O)c1cc(Cl)c(Cl)cc1Cl","O=C(O)c1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},223.919862376,"?"]
[35,"OC(=O)C1=CC=C(Cl)C=C1Cl","50-84-0","O=C(O)c1ccc(Cl)cc1Cl","O=C(O)c1c(cc(cc1)Cl)Cl",{"$nulls":4},189.958834728,"?"]
[36,"CC1=CC(O)=C(C=C1)C(O)=O","50-85-1","Cc1ccc(C(=O)O)c(O)c1","Cc1cc(c(cc1)C(=O)O)O",{"$nulls":4},152.047344116,"?"]
[37,"OC[CH](O)[CH](O)[CH](O)[CH](O)C=O","50-99-7","O=CC(O)C(O)C(O)C(O)CO","O=CC(O)C(O)C(O)C(O)CO",{"$nulls":4},180.063388104,"?"]
[38,"CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC","51-03-6","CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2","CCCCOCCOCCOCc1c(cc2c(c1)OCO2)CCC",{"$nulls":4},338.2093240600009,"?"]
[39,"N1C=NC2=C1C=CC=C2","51-17-2","c1ccc2[nH]cnc2c1","c1cc2c(cc1)[nH]cn2",{"$nulls":4},118.053098192,"?"]
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[42,"OC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O","51-28-5","O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},184.012021228,"?"]
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[49,"CCCC1=CC(=O)NC(=S)N1","51-52-5","CCCc1cc(=O)[nH]c(=S)[nH]1","CCCc1[nH]c([nH]c(c1)=O)=S",{"$nulls":4},170.05138394,"?"]
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[51,"COC1=CC=C(NC(C)=O)C=C1","51-66-1","COc1ccc(NC(C)=O)cc1","COc1ccc(cc1)NC(C)=O",{"$nulls":4},165.078978592,"?"]
[52,"NCCC1=CC=C(O)C=C1","51-67-2","NCCc1ccc(O)cc1","NCCc1ccc(cc1)O",{"$nulls":4},137.084063972,"?"]
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[54,null,"51-79-6",{"$nulls":7},""]
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[56,"CC(=O)S[CH]1CC2=CC(=O)CC[C]2(C)[CH]2CC[C]3(C)[CH](CC[C]33CCC(=O)O3)[CH]12","52-01-7","CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12","CC(=O)SC1C2C(C3(C(C1)=CC(=O)CC3)C)CCC4(C5(CCC42)OC(CC5)=O)C",{"$nulls":4},416.2021305040008,"?"]
[57,"[H][C]12CC[C](O)(C(=O)COC(C)=O)[C]1(C)C[CH](O)[C]1([H])[C]2([H])CCC2=CC(=O)C=C[C]12C","52-21-1","CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O",{"$nulls":4},402.20423868000074,"?"]
[58,"S=P(N1CC1)(N1CC1)N1CC1","52-24-4","S=P(N1CC1)(N1CC1)N1CC1","S=P(N1CC1)(N2CC2)N3CC3",{"$nulls":4},189.04895501399997,"?"]
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[63,"NC1(CCCC1)C(O)=O","52-52-8","NC1(C(=O)O)CCCC1","NC1(CCCC1)C(=O)O",{"$nulls":4},129.078978592,"?"]
[64,"CC(C)(S)[CH](N)C(O)=O","52-67-5","CC(C)(S)C(N)C(=O)O","CC(C)(S)C(N)C(=O)O",{"$nulls":4},149.051049592,"?"]
[65,null,"52-68-6",{"$nulls":7},""]
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[67,"N[CH](CS)C(O)=O","52-90-4","NC(CS)C(=O)O","NC(CS)C(=O)O",{"$nulls":4},121.019749464,"?"]
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[71,"C[C]12CC[CH]3[CH](CC[CH]4C[CH](O)CC[C]34C)[CH]1CCC2=O","53-41-8","CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O",{"$nulls":4},290.22458020000084,"?"]
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[73,"C1=CC2=CC=C3C=C4C(C=CC5=CC=CC=C45)=CC3=C2C=C1","53-70-3","c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12","c1cc2c(cc1)c3c(cc2)cc4c5c(ccc4c3)cccc5",{"$nulls":4},278.1095504480004,"?"]
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[76,"[Na+].OC1=C(C=CC=C1)C([O-])=O","54-21-7","O=C([O-])c1ccccc1O","O=C(O)c1c(cccc1)O","[Na+]",{"$nulls":3},160.0136383,"Structure has been neutralized"]
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[80,"CCN(CC)N=O","55-18-5","CCN(CC)N=O","CCN(CC)N=O",{"$nulls":4},102.07931294,"?"]
[81,"NC(=O)C1=CC=CC=C1","55-21-0","NC(=O)c1ccccc1","NC(=O)c1ccccc1",{"$nulls":4},121.052763844,"?"]
[82,"OC(=O)C1=CC=NC=C1","55-22-1",null,null,"OC(=O)c1ccncc1",{"$nulls":3},754.6805688960003,"?"]
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[89,"NCCCC(O)=O","56-12-2","NCCCC(=O)O","NCCCC(=O)O",{"$nulls":4},103.063328528,"?"]
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[93,"CCCC[Sn](CCCC)(CCCC)OC(C)=O","56-36-0","CCCC[Sn](CCCC)(CCCC)OC(C)=O","CCCC[Sn](CCCC)(CCCC)OC(C)=O",{"$nulls":4},350.1267749000008,"?"]
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[95,"NCC(O)=O","56-40-6","NCC(=O)O","NCC(=O)O",{"$nulls":4},75.0320284,"?"]
[96,"C[CH](N)C(O)=O","56-41-7","CC(N)C(=O)O","CC(N)C(=O)O",{"$nulls":4},89.047678464,"?"]
[97,"N[CH](CO)C(O)=O","56-45-1","NC(CO)C(=O)O","NC(CO)C(=O)O",{"$nulls":4},105.042593084,"?"]
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[101,"[H][C]1(C[CH]2CC[N]1C[CH]2C=C)[CH](O)C1=CC=NC2=CC=C(OC)C=C12","56-54-2","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",{"$nulls":4},324.1837780080006,"?"]
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[103,"NC1=NC=NC2=C1N=CN2[CH]1O[CH](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[CH](O)[CH]1O","56-65-5","Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O",{"$nulls":4},506.99574546200023,"?"]
[104,null,"56-69-9",{"$nulls":7},""]
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[106,"OC[CH](NC(=O)C(Cl)Cl)[CH](O)C1=CC=C(C=C1)[N+]([O-])=O","56-75-7","O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl","O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)Cl",{"$nulls":4},322.0123268440003,"?"]
[107,"OCC(O)CO","56-81-5","OCC(O)CO","OCC(O)CO",{"$nulls":4},92.047344116,"?"]
[108,"OCC(O)C=O","56-82-6","O=CC(O)CO","O=CC(O)CO",{"$nulls":4},90.031694052,"?"]
[109,"N[CH](CC(O)=O)C(O)=O","56-84-8","NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O",{"$nulls":4},133.037507704,"?"]
[110,"N[CH](CCC(N)=O)C(O)=O","56-85-9","NC(=O)CCC(N)C(=O)O","NC(=O)CCC(N)C(=O)O",{"$nulls":4},146.06914218,"?"]
[111,"N[CH](CCC(O)=O)C(O)=O","56-86-0","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",{"$nulls":4},147.053157768,"?"]
[112,"NCCCC[CH](N)C(O)=O","56-87-1","NCCCCC(N)C(=O)O","NCCCCC(N)C(=O)O",{"$nulls":4},146.105527688,"?"]
[113,"N[CH](CSSC[CH](N)C(O)=O)C(O)=O","56-89-3","NC(CSSCC(N)C(=O)O)C(=O)O","NC(CSSCC(N)C(=O)O)C(=O)O",{"$nulls":4},240.023848864,"?"]
[114,"CN(CC(O)=O)C(N)=N","57-00-1","CN(CC(=O)O)C(=N)N","CN(CC(=O)O)C(=N)N",{"$nulls":4},131.069476528,"?"]
[115,"OCC(O)COP(O)(O)=O","57-03-4","O=P(O)(O)OCC(O)CO","O=P(O)(O)OCC(O)CO",{"$nulls":4},172.013674638,"?"]
[116,"C=CCN=C=S","57-06-7","C=CCN=C=S","C=CCN=C=S",{"$nulls":4},99.01427016,"?"]
[117,"CCCCCCCCCCCCCCCC(O)=O","57-10-3","CCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCC(=O)O",{"$nulls":4},256.240230264,"?"]
[118,"CCCCCCCCCCCCCCCCCC(O)=O","57-11-4","CCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCC(=O)O",{"$nulls":4},284.2715303920008,"?"]
[119,"NC(N)=O","57-13-6","NC(N)=O","NC(N)=O",{"$nulls":4},60.032362748,"?"]
[120,"CN(C)N","57-14-7","CN(C)N","CN(C)N",{"$nulls":4},60.06874825599999,"?"]
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[122,"[H][C]12C[C]3([H])C4=CCO[C]5([H])CC(=O)N6C7=C(C=CC=C7)[C]1(CCN2C4)[C]6([H])[C]35[H]","57-24-9","O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46","O=C1N2c3c(C45CCN6CC7=CCOC(C1)C(C42)C7CC65)cccc3",{"$nulls":4},334.16812794400056,"?"]
[123,"CN1CC[C]23[CH]4OC5=C(O)C=CC(C[CH]1[CH]2C=C[CH]4O)=C35","57-27-2","CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3",{"$nulls":4},285.13649346800054,"?"]
[124,"O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1","57-41-0","O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1","O=C1NC(C(N1)=O)(c2ccccc2)c3ccccc3",{"$nulls":4},252.089877624,"?"]
[125,"CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1","57-42-1","CCOC(=O)C1(c2ccccc2)CCN(C)CC1","CCOC(=O)C1(CCN(CC1)C)c2ccccc2",{"$nulls":4},247.157228912,"?"]
[126,"CCC1(CCC(C)C)C(=O)NC(=O)NC1=O","57-43-2","CCC1(CCC(C)C)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)CCC(C)C",{"$nulls":4},226.131742436,"?"]
[127,"CCC1(CC)C(=O)NC(=O)NC1=O","57-44-3","CCC1(CC)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)CC",{"$nulls":4},184.084792244,"?"]
[128,"OC[CH]1O[C](O)(CO)[CH](O)[CH]1O","57-48-7","OCC1OC(O)(CO)C(O)C1O","OCC1C(C(C(O1)(O)CO)O)O",{"$nulls":4},180.063388104,"?"]
[129,"OC[CH]1O[C](CO)(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O","57-50-1","OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O",{"$nulls":4},342.11621152400056,"?"]
[130,"CCCC(C)(COC(N)=O)COC(N)=O","57-53-4","CCCC(C)(COC(N)=O)COC(N)=O","CCCC(C)(COC(N)=O)COC(N)=O",{"$nulls":4},218.126657056,"?"]
[131,"CC(O)CO","57-55-6","CC(O)CO","CC(O)CO",{"$nulls":4},76.052429496,"?"]
[132,"O=C1CCO1","57-57-8","O=C1CCO1","O=C1OCC1",{"$nulls":4},72.021129368,"?"]
[133,"CN(C)[CH]1[CH]2C[CH]3C(=C(O)[C]2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(C(Cl)=CC=C1O)[C]3(C)O","57-62-5","CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12","CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4Cl)(C)O)C2",{"$nulls":4},478.11429337600055,"?"]
[134,"[H][C]12CC[C](O)(C#C)[C]1(C)CC[C]1([H])C3=C(CC[C]21[H])C=C(O)C=C3","57-63-6","C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C","C#CC1(C2(C(CC1)C3C(c4c(CC3)cc(O)cc4)CC2)C)O",{"$nulls":4},296.1776300080006,"?"]
[135,"NC(=N)NS(=O)(=O)C1=CC=C(N)C=C1","57-67-0","N=C(N)NS(=O)(=O)c1ccc(N)cc1","N=C(N)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},214.05244656,"?"]
[136,"CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=N1","57-68-1","Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(nc(c1)C)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},278.0837466880004,"?"]
[137,"ClC1CC2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","57-74-9","ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl",{"$nulls":4},405.79777163200015,"?"]
[138,"[H][C]12CC[CH](C(C)=O)[C]1(C)CC[C]1([H])[C]2([H])CCC2=CC(=O)CC[C]12C","57-83-0","CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",{"$nulls":4},314.2245802000008,"?"]
[139,"CCC(=O)O[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C","57-85-2","CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CCC(=O)OC1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",{"$nulls":4},344.2351448840009,"?"]
[140,"[H][C]1(CC[C]2([H])[C]3([H])CC=C4C[CH](O)CC[C]4(C)[C]3([H])CC[C]12C)[CH](C)CCCC(C)C","57-88-5","CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C","CC(C)CCCC(C)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C",{"$nulls":4},386.3548660920012,"?"]
[141,"C[C]12CC[CH]3[CH](CCC4=C3C=CC(O)=C4)[CH]1CC[CH]2O","57-91-0","CC12CCC3c4ccc(O)cc4CCC3C1CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O",{"$nulls":4},272.17763000800045,"?"]
[142,"CC1=C2C=CC=CC2=C(C)C2=C3C=CC=CC3=CC=C12","57-97-6","Cc1c2ccccc2c(C)c2c1ccc1ccccc12","Cc1c2c(c(c3c1cccc3)C)c4c(cc2)cccc4",{"$nulls":4},256.125200512,"?"]
[143,"CN1CCC2=CC=CC3=C2[CH]1CC1=C3C(O)=C(O)C=C1","58-00-4","CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3","CN1C2c3c(CC1)cccc3-c4c(C2)ccc(O)c4O",{"$nulls":4},267.12592878400034,"?"]
[144,"CN1C=NC2=C1C(=O)N(C)C(=O)N2C","58-08-2","Cn1c(=O)c2c(ncn2C)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)C)C)=O",{"$nulls":4},194.08037556,"?"]
[145,"CN(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1","58-15-1","Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1N(C)C)=O)-c2ccccc2)C",{"$nulls":4},231.137162164,"?"]
[146,"C[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C","58-18-4","CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(C)O","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C(CC4)(C)O)C",{"$nulls":4},302.22458020000084,"?"]
[147,"C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2O","58-22-0","CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(O)CC4",{"$nulls":4},288.2089301360008,"?"]
[148,"CNC1=NC2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2)=N(=O)C1","58-25-3","CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1","CNC=1C[N+](=C(c2c(N1)ccc(Cl)c2)c3ccccc3)[O-]",{"$nulls":4},299.0825397480004,"?"]
[149,"CC1=CC(=O)C2=C(C=CC=C2)C1=O","58-27-5","CC1=CC(=O)c2ccccc2C1=O","CC=1C(c2c(C(C1)=O)cccc2)=O",{"$nulls":4},172.052429496,"?"]
[150,"CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1","58-38-8","CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1","CN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",{"$nulls":4},373.13794644800066,"?"]
[151,"OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1","58-39-9","OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",{"$nulls":4},403.1485111320007,"?"]
[152,"CN(C)CCCN1C2=CC=CC=C2SC2=C1C=CC=C2","58-40-2","CN(C)CCCN1c2ccccc2Sc2ccccc21","CN(C)CCCN1c2c(Sc3c1cccc3)cccc2",{"$nulls":4},284.1347196400005,"?"]
[153,"CN1C2=C(NC=N2)C(=O)N(C)C1=O","58-55-9","Cn1c(=O)c2[nH]cnc2n(C)c1=O","Cn1c(n(c2c(c1=O)[nH]cn2)C)=O",{"$nulls":4},180.064725496,"?"]
[154,"Cl.CC1=NC=C(CO)C(CO)=C1O","58-56-0","Cc1ncc(CO)c(CO)c1O","Cc1c(c(c(cn1)CO)CO)O","Cl",{"$nulls":3},205.050570924,"?"]
[155,"OC[CH]1O[CH]([CH](O)[CH]1O)N1C=NC2=C1N=CN=C2O","58-63-9","OCC1OC(n2cnc3c(O)ncnc32)C(O)C1O","OCC1C(C(C(O1)n2c3c(nc2)c(O)ncn3)O)O",{"$nulls":4},268.0807694840003,"?"]
[156,"CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1","58-73-1","CN(C)CCOC(c1ccccc1)c1ccccc1","CN(C)CCOC(c1ccccc1)c2ccccc2",{"$nulls":4},255.162314292,"?"]
[157,"COC1=CC=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1OC","58-74-2","COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC","COc1c(cc(cc1)Cc2c3c(ccn2)cc(OC)c(OC)c3)OC",{"$nulls":4},339.14705815200057,"?"]
[158,"O[CH]1COC(O)[CH](O)[CH]1O","58-86-6","OC1COC(O)C(O)C1O","OC1C(C(C(OC1)O)O)O",{"$nulls":4},150.05282342,"?"]
[159,"Cl[CH]1[CH](Cl)[CH](Cl)[CH](Cl)[CH](Cl)[CH]1Cl","58-89-9","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},287.86006627200015,"?"]
[160,"OC1=C(Cl)C(Cl)=C(Cl)C=C1Cl","58-90-2","Oc1c(Cl)cc(Cl)c(Cl)c1Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cl",{"$nulls":4},229.885975404,"?"]
[161,"NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1Cl","58-93-5","NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)Cl",{"$nulls":4},296.96447541600025,"?"]
[162,"NS(=O)(=O)C1=CC2=C(C=C1Cl)N=CNS2(=O)=O","58-94-6","NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NC=N2)(=O)=O)Cl",{"$nulls":4},294.9488253520001,"?"]
[163,"OC[CH]1OC(O)[CH](O)[CH](O)[CH]1O","59-23-4","OCC1OC(O)C(O)C(O)C1O","OCC1C(C(C(C(O1)O)O)O)O",{"$nulls":4},180.063388104,"?"]
[164,"CCN(CC)C(=O)C1=CC=CN=C1","59-26-7","CCN(CC)C(=O)c1cccnc1","CCN(CC)C(=O)c1cnccc1",{"$nulls":4},178.110613068,"?"]
[165,"O=C1NC2=CC=CC=C2C=C1","59-31-4","O=c1ccc2ccccc2[nH]1","O=c1[nH]c2c(cc1)cccc2",{"$nulls":4},145.052763844,"?"]
[166,"NC1=CC=C(C=C1)S(=O)(=O)NC1=CN=C2C=CC=CC2=N1","59-40-5","Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nc3c(nc2)cccc3",{"$nulls":4},300.06809662400036,"?"]
[167,"[Cl-].CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N","59-43-8","Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1","Cc1nc(c(cn1)C[n+]2c(c(sc2)CCO)C)N","[Cl-]",{"$nulls":3},300.08115984400024,"?"]
[168,"CCN(CC)CCOC(=O)C1=CC=C(N)C=C1","59-46-1","CCN(CC)CCOC(=O)c1ccc(N)cc1","CCN(CC)CCOC(=O)c1ccc(cc1)N",{"$nulls":4},236.15247788,"?"]
[169,"CC1=CC=CC=C1OCC(O)CO","59-47-2","Cc1ccccc1OCC(O)CO","Cc1c(cccc1)OCC(O)CO",{"$nulls":4},182.094294308,"?"]
[170,"CC1=C(Cl)C=CC(O)=C1","59-50-7","Cc1cc(O)ccc1Cl","Cc1c(ccc(c1)O)Cl",{"$nulls":4},142.018542524,"?"]
[171,"CSCCC(N)C(O)=O","59-51-8","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O",{"$nulls":4},149.051049592,"?"]
[172,"OCC(S)CS","59-52-9","OCC(S)CS","OCC(S)CS",{"$nulls":4},124.001656876,"?"]
[173,"OC[CH]1O[CH](OP(O)(O)=O)[CH](O)[CH](O)[CH]1O","59-56-3","O=P(O)(O)OC1OC(CO)C(O)C(O)C1O","O=P(O)(O)OC1C(C(C(C(O1)CO)O)O)O",{"$nulls":4},260.0297186260001,"?"]
[174,"CC(=O)NC1=NN=C(S1)S(N)(=O)=O","59-66-5","CC(=O)Nc1nnc(S(N)(=O)=O)s1","CC(=O)Nc1sc(nn1)S(N)(=O)=O",{"$nulls":4},221.988132052,"?"]
[175,"OC(=O)C1=CC=CN=C1","59-67-6",null,null,"OC(=O)c1cccnc1",{"$nulls":3},580.8169353080002,"?"]
[176,"O=NN1CCOCC1","59-89-2","O=NN1CCOCC1","O=NN1CCOCC1",{"$nulls":4},116.058577496,"?"]
[177,"N[CH](CC1=CC=C(O)C(O)=C1)C(O)=O","59-92-7","NC(Cc1ccc(O)c(O)c1)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O",{"$nulls":4},197.068807832,"?"]
[178,"OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O","60-00-4","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O",{"$nulls":4},292.0906654720004,"?"]
[179,"CCCC(=O)OC(OC(=O)CCC)OC(=O)CCC","60-01-5","CCCC(=O)OC(OC(=O)CCC)OC(=O)CCC","CCCC(=O)OC(OC(=O)CCC)OC(=O)CCC",{"$nulls":4},274.1416384240005,"?"]
[180,"NC1=CC=C(C=C1)N=NC1=CC=CC=C1","60-09-3","Nc1ccc(N=Nc2ccccc2)cc1","Nc1ccc(cc1)N=Nc2ccccc2",{"$nulls":4},197.095297352,"?"]
[181,"CN(C)C1=CC=C(C=C1)N=NC1=CC=CC=C1","60-11-7","CN(C)c1ccc(N=Nc2ccccc2)cc1","CN(C)c1ccc(cc1)N=Nc2ccccc2",{"$nulls":4},225.12659748,"?"]
[182,"OCCC1=CC=CC=C1","60-12-8","OCCc1ccccc1","OCCc1ccccc1",{"$nulls":4},122.07316494,"?"]
[183,"N[CH](CC1=CC=C(O)C=C1)C(O)=O","60-18-4","NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",{"$nulls":4},181.073893212,"?"]
[184,"OCCS","60-24-2","OCCS","OCCS",{"$nulls":4},78.013935812,"?"]
[185,"CN1CC(=O)NC1=N","60-27-5","CN1CC(=O)NC1=N","CN1C(NC(C1)=O)=N",{"$nulls":4},113.058911844,"?"]
[186,"CCOCC","60-29-7","CCOCC","CCOCC",{"$nulls":4},74.07316494,"?"]
[187,"NCCCCCC(O)=O","60-32-2","NCCCCCC(=O)O","NCCCCCC(=O)O",{"$nulls":4},131.094628656,"?"]
[188,"CNN","60-34-4","CNN","CNN",{"$nulls":4},46.05309819199999,"?"]
[189,"CC(N)=O","60-35-5","CC(N)=O","CC(N)=O",{"$nulls":4},59.03711378,"?"]
[190,"CNC(=O)CSP(=S)(OC)OC","60-51-5","CNC(=O)CSP(=S)(OC)OC","CNC(=O)CSP(=S)(OC)OC",{"$nulls":4},228.99962187399998,"?"]
[191,"[H][C]12C[C]3([H])C(=C(O)[C]1(O)C(=O)C(C(N)=O)=C(O)[CH]2N(C)C)C(=O)C1=C(C=CC=C1O)[C]3(C)O","60-54-8","CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12","CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4)(C)O)C2",{"$nulls":4},444.1532657280006,"?"]
[192,"ClC1=C(Cl)[C]2(Cl)[CH]3[CH]4C[CH]([CH]5O[CH]45)[CH]3[C]1(Cl)C2(Cl)Cl","60-57-1","ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl",{"$nulls":4},377.87063095600024,"?"]
[193,"CN1N(C(=O)C=C1C)C1=CC=CC=C1","60-80-0","Cc1cc(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1)=O)-c2ccccc2)C",{"$nulls":4},188.094963004,"?"]
[194,"OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O)C=C1","60-82-2","O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O","O=C(CCc1ccc(cc1)O)c2c(cc(cc2O)O)O",{"$nulls":4},274.08412354800043,"?"]
[195,"CC(CN1C2=C(SC3=C1C=CC=C3)C=CC=C2)N(C)C","60-87-7","CC(CN1c2ccccc2Sc2ccccc21)N(C)C","CC(CN1c2c(Sc3c1cccc3)cccc2)N(C)C",{"$nulls":4},284.1347196400005,"?"]
[196,"CN1CCCC(CN2C3=C(SC4=C2C=CC=C4)C=CC=C3)C1","60-89-9","CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1","CN1CC(CCC1)CN2c3c(Sc4c2cccc4)cccc3",{"$nulls":4},310.1503697040006,"?"]
[197,"COC1=CC2=C(SC3=C(C=CC=C3)N2C[CH](C)CN(C)C)C=C1","60-99-1","COc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2","COc1cc2c(cc1)Sc3c(N2CC(C)CN(C)C)cccc3",{"$nulls":4},328.16093438800067,"?"]
[198,"NC1=NC=NC2=C1N=CN2[CH]1O[CH](COP(O)(O)=O)[CH](O)[CH]1O","61-19-8","Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O",{"$nulls":4},347.0630844180003,"?"]
[199,"[O-][N+](=O)C1=CN=C(S1)N1CCNC1=O","61-57-4","O=C1NCCN1c1ncc([N+](=O)[O-])s1","O=C1N(CCN1)c2sc(cn2)[N+](=O)[O-]",{"$nulls":4},214.016061052,"?"]
[200,"CC1=C(C)C(NC2=C(C=CC=C2)C(O)=O)=CC=C1","61-68-7","Cc1cccc(Nc2ccccc2C(=O)O)c1C","Cc1c(c(ccc1)Nc2c(cccc2)C(=O)O)C",{"$nulls":4},241.11027872,"?"]
[201,"[Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1","61-73-4","CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1","CN(C)c1cc2c(cc1)nc3c(cc(cc3)N(C)C)[s+]2","[Cl-]",{"$nulls":3},319.0909962560005,"?"]
[202,null,"61-82-5",{"$nulls":7},""]
[203,"CC(C)C[CH](N)C(O)=O","61-90-5","CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[204,"OC(=O)C1=CC=C(C=C1)[N+]([O-])=O","62-23-7","O=C(O)c1ccc([N+](=O)[O-])cc1","O=C(O)c1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},167.02185764,"?"]
[205,null,"62-37-3",{"$nulls":7},""]
[206,"CC(=O)O[Hg]C1=CC=CC=C1","62-38-4","CC(=O)O[Hg]c1ccccc1","CC(=O)O[Hg]c1ccccc1",{"$nulls":4},338.0230724960002,"?"]
[207,"CCOC1=CC=C(NC(C)=O)C=C1","62-44-2","CCOc1ccc(NC(C)=O)cc1","CCOc1ccc(cc1)NC(C)=O",{"$nulls":4},179.094628656,"?"]
[208,"NC1=CC=CC=C1","62-53-3","Nc1ccccc1","Nc1ccccc1",{"$nulls":4},93.057849224,"?"]
[209,"CC(N)=S","62-55-5","CC(N)=S","CC(N)=S",{"$nulls":4},75.01427016,"?"]
[210,"NC(N)=S","62-56-6","NC(N)=S","NC(N)=S",{"$nulls":4},76.009519128,"?"]
[211,"CC(C)(N)C(O)=O","62-57-7","CC(C)(N)C(=O)O","CC(C)(N)C(=O)O",{"$nulls":4},103.063328528,"?"]
[212,"CC=C(C)C(=O)O[CH]1CC[C]2(C)[CH]3CC[CH]4[C]5(O)C[CH](O)[C]6(O)[CH](CN7C[CH](C)CC[CH]7[C]6(C)O)[C]5(O)C[C]24O[C]13O","62-59-9","CC=C(C)C(=O)OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(C)O)C5(O)CC42OC13O","CC=C(C)C(=O)OC1C2(C3C(CC1)(C4(C(CC3)C5(C(C6C(C(C5)O)(C(C7N(C6)CC(C)CC7)(C)O)O)(O)C4)O)O2)C)O",{"$nulls":4},591.3407321480014,"?"]
[213,null,"62-73-7",{"$nulls":7},""]
[214,"[Na+].[O-]C(=O)CF","62-74-8","O=C([O-])CF","O=C(O)CF","[Na+]",{"$nulls":3},99.99365180400001,"Structure has been neutralized"]
[215,"CN(C)N=O","62-75-9","CN(C)N=O","CN(C)N=O",{"$nulls":4},74.048012812,"?"]
[216,"[H][C]12CCC(=O)[C]1(C)CC[C]1([H])[C]2([H])CCC2=CC(=O)CC[C]12C","63-05-8","CC12CCC3C(CCC4=CC(=O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)=CC(=O)CC4)C)CCC2=O",{"$nulls":4},286.1932800720007,"?"]
[217,null,"63-25-2",{"$nulls":7},""]
[218,"[H][C]1(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH](O)O[CH]1CO","63-42-3","OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",{"$nulls":4},342.11621152400056,"?"]
[219,"CSCC[CH](N)C(O)=O","63-68-3","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O",{"$nulls":4},149.051049592,"?"]
[220,"NC1=CC=C(C=C1)S(N)(=O)=O","63-74-1","Nc1ccc(S(N)(=O)=O)cc1","Nc1ccc(cc1)S(N)(=O)=O",{"$nulls":4},172.030648496,"?"]
[221,"COC(=O)C1=CCCN(C)C1","63-75-2","COC(=O)C1=CCCN(C)C1","COC(=O)C=1CN(CCC1)C",{"$nulls":4},155.094628656,"?"]
[222,"N[CH](CC1=CC=CC=C1)C(O)=O","63-91-2","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",{"$nulls":4},165.078978592,"?"]
[223,"CNC(=O)OC1=CC=CC(=C1)C(C)C","64-00-6","CNC(=O)Oc1cccc(C(C)C)c1","CNC(=O)Oc1cc(ccc1)C(C)C",{"$nulls":4},193.11027872,"?"]
[224,"[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O","64-02-8","O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O","[Na+]","[Na+]","[Na+]","[Na+]",380.0184424640003,"Structure has been neutralized"]
[225,null,"64-17-5",{"$nulls":7},""]
[226,"OC=O","64-18-6","O=CO","O=CO",{"$nulls":4},46.005479304,"?"]
[227,"CC(O)=O","64-19-7","CC(=O)O","CC(=O)O",{"$nulls":4},60.021129368000004,"?"]
[228,"OS(O)(=O)=O.CN1CC[C]23[CH]4OC5=C(O)C=CC(C[CH]1[CH]2C=C[CH]4O)=C35.CN1CC[C]23[CH]4OC5=C(O)C=CC(C[CH]1[CH]2C=C[CH]4O)=C35","64-31-3","CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","CN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35","OS(O)(=O)=O",null,null,668.2403664800011,"?"]
[229,"CCC(C)C(C)(COC(N)=O)COC(N)=O","64-55-1","CCC(C)C(C)(COC(N)=O)COC(N)=O","CCC(C)C(C)(COC(N)=O)COC(N)=O",{"$nulls":4},232.14230712,"?"]
[230,"CCOS(=O)(=O)OCC","64-67-5","CCOS(=O)(=O)OCC","CCOS(=O)(=O)OCC",{"$nulls":4},154.0299798,"?"]
[231,"CCCCNC(=O)NS(=O)(=O)C1=CC=C(C)C=C1","64-77-7","CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C",{"$nulls":4},270.1038134360004,"?"]
[232,"C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2C(=O)CO","64-85-7","CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(C(=O)CO)CC4",{"$nulls":4},330.2194948200008,"?"]
[233,"COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[CH](CC2)NC(C)=O","64-86-8","COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2","COc1c(c(c-2c(c1)CCC(c3c2ccc(OC)c(=O)c3)NC(C)=O)OC)OC",{"$nulls":4},399.1681875200007,"?"]
[234,"Cl.CC1=C(O)C(C=O)=C(CO)C=N1","65-22-5","Cc1ncc(CO)c(C=O)c1O","Cc1c(c(c(cn1)CO)C=O)O","Cl",{"$nulls":3},203.03492086,"?"]
[235,"NC(=O)C1=CC=CC=C1O","65-45-2","NC(=O)c1ccccc1O","NC(=O)c1c(cccc1)O",{"$nulls":4},137.047678464,"?"]
[236,"NC1=CC=C(C(O)=O)C(O)=C1","65-49-6","Nc1ccc(C(=O)O)c(O)c1","Nc1cc(c(cc1)C(=O)O)O",{"$nulls":4},153.042593084,"?"]
[237,"CC1=CNC(=O)NC1=O","65-71-4","Cc1c[nH]c(=O)[nH]c1=O","Cc1c([nH]c([nH]c1)=O)=O",{"$nulls":4},126.042927432,"?"]
[238,"CSCC[CH](NC(C)=O)C(O)=O","65-82-7","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",{"$nulls":4},191.061614276,"?"]
[239,"OC(=O)C1=CC=CC=C1","65-85-0","O=C(O)c1ccccc1","O=C(O)c1ccccc1",{"$nulls":4},122.036779432,"?"]
[240,"OC(=O)C1=CC(O)=NC(O)=N1","65-86-1","O=C(O)c1cc(O)nc(O)n1","O=C(O)c1nc(nc(c1)O)O",{"$nulls":4},156.017106608,"?"]
[241,"NC(CC1=CC(I)=C(O)C(I)=C1)C(O)=O","66-02-4","NC(Cc1cc(I)c(O)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O",{"$nulls":4},432.8671891480002,"?"]
[242,"O=C1NC=CC(=O)N1","66-22-8","O=c1cc[nH]c(=O)[nH]1","O=c1[nH]c([nH]cc1)=O",{"$nulls":4},112.027277368,"?"]
[243,"CCCCCC=O","66-25-1","CCCCCC=O","CCCCCC=O",{"$nulls":4},100.088815004,"?"]
[244,"C1=CC2=C(N=C1)C1=C(C=CC=N1)C=C2","66-71-7","c1cnc2c(c1)ccc1cccnc12","c1cc2c(nc1)c3c(cc2)cccn3",{"$nulls":4},180.068748256,"?"]
[245,"CC1=C(O)C(C=O)=C(CO)C=N1","66-72-8","Cc1ncc(CO)c(C=O)c1O","Cc1c(c(c(cn1)CO)C=O)O",{"$nulls":4},167.058243148,"?"]
[246,"C[CH]1C[CH](C)C(=O)[CH](C1)[CH](O)CC1CC(=O)NC(=O)C1","66-81-9","CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1","CC1CC(C(C(C1)C)=O)C(O)CC2CC(NC(C2)=O)=O",{"$nulls":4},281.1627082160006,"?"]
[247,"CC(N(CC1=C(N)N=C(C)N=C1)C=O)=C(CCO)SSC(CCO)=C(C)N(CC1=C(N)N=C(C)N=C1)C=O","67-16-3","CC(=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N","CC(=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1c(nc(nc1)C)N)N(C=O)Cc2c(nc(nc2)C)N",{"$nulls":4},562.214443568001,"?"]
[248,"[O-][N+](=O)C1=CC=C(O1)C=NN1CC(=O)NC1=O","67-20-9","O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1","O=C1NC(N(C1)N=Cc2oc(cc2)[N+](=O)[O-])=O",{"$nulls":4},238.033819292,"?"]
[249,"CC(=O)NN=CC1=CC=C(O1)[N+]([O-])=O","67-28-7","CC(=O)NN=Cc1ccc([N+](=O)[O-])o1","CC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]",{"$nulls":4},197.043655704,"?"]
[250,"CO","67-56-1","CO","CO",{"$nulls":4},32.026214748,"?"]
[251,"CC(C)O","67-63-0","CC(C)O","CC(C)O",{"$nulls":4},60.057514876,"?"]
[252,"CC(C)=O","67-64-1","CC(C)=O","CC(C)=O",{"$nulls":4},58.041864812,"?"]
[253,"ClC(Cl)Cl","67-66-3","ClC(Cl)Cl","ClC(Cl)Cl",{"$nulls":4},117.91438307199999,"?"]
[254,"CS(C)=O","67-68-5","CS(C)=O","CS(C)=O",{"$nulls":4},78.013935812,"?"]
[255,"ClC(Cl)(Cl)C(Cl)(Cl)Cl","67-72-1","ClC(Cl)(Cl)C(Cl)(Cl)Cl","ClC(Cl)(Cl)C(Cl)(Cl)Cl",{"$nulls":4},233.81311608,"?"]
[256,"CC(=O)OCC(=O)[C]1(O)[CH](C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]12C)OC(C)=O","67-78-7","CC(=O)OCC(=O)C1(O)C(OC(C)=O)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1OC(C)=O)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O",{"$nulls":4},478.20029617200083,"?"]
[257,"CN1C(=O)[C]23CC4=CC=C[CH](O)[CH]4N2C(=O)[C]1(CO)SS3","67-99-2","CN1C(=O)C23CC4=CC=CC(O)C4N2C(=O)C1(CO)SS3","CN1C2(C(N3C(C1=O)(SS2)CC=4C3C(C=CC4)O)=O)CO",{"$nulls":4},326.0394989280004,"?"]
[258,"OC(=O)CS","68-11-1","O=C(O)CS","O=C(O)CS",{"$nulls":4},91.993200368,"?"]
[259,"CN(C)C=O","68-12-2","CN(C)C=O","CN(C)C=O",{"$nulls":4},73.052763844,"?"]
[260,"C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2N=C1C(C)=C1N=C(C=C3N=C(C(C)=C4[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]2(C)N4[Co+]C#N)[C](C)(CC(N)=O)[CH]3CCC(N)=O)C(C)(C)[CH]1CCC(N)=O)OP([O-])(=O)O[CH]1[CH](CO)O[CH]([CH]1O)N1C=NC2=C1C=C(C)C(C)=C2","68-19-9","CC1=C2N=C(C=C3N=C(C(C)=C4C(CCC(N)=O)C(C)(CC(N)=O)C(C)(C5N=C1C(C)(CCC(=O)NCC(C)OP(=O)([O-])OC1C(CO)OC(n6cnc7cc(C)c(C)cc76)C1O)C5CC(N)=O)N4[Co+]C#N)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C2CCC(N)=O","CC1=C2N=C(C=C3N=C(C(C)=C4C(CCC(N)=O)C(C)(CC(N)=O)C(C)(C5N=C1C(C)(CCC(=O)NCC(C)OP(=O)([O-])OC1C(CO)OC(n6cnc7cc(C)c(C)cc76)C1O)C5CC(N)=O)N4[Co+]C#N)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C2CCC(N)=O",{"$nulls":4},1354.5674001260022,"Errors in neutralization"]
[261,"C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[C]2(O)C#C","68-22-4","C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)O",{"$nulls":4},298.19328007200073,"?"]
[262,"NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=N1","68-35-9","Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",{"$nulls":4},250.05244656,"?"]
[263,"O=C1NC=NC2=C1NC=N2","68-94-0","O=c1[nH]cnc2nc[nH]c12","O=c1c2c(nc[nH]1)nc[nH]2",{"$nulls":4},136.038510748,"?"]
[264,"CC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C","68-96-2","CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O",{"$nulls":4},330.2194948200008,"?"]
[265,"OCCN1CCN(CCCN2C3=CC=CC=C3SC3=CC=C(C=C23)C(F)(F)F)CC1","69-23-8","OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3",{"$nulls":4},437.1748681120007,"?"]
[266,null,"69-33-0",{"$nulls":7},""]
[267,"CC1(C)S[CH]2[CH](NC(=O)[CH](N)C3=CC=CC=C3)C(=O)N2[CH]1C(O)=O","69-53-4","CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O","CC1(C(N2C(S1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O)C",{"$nulls":4},349.1096270880005,"?"]
[268,"OC[CH](O)[CH](O)[CH](O)[CH](O)CO","69-65-8","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",{"$nulls":4},182.079038168,"?"]
[269,"OC(=O)C1=C(O)C=CC=C1","69-72-7","O=C(O)c1ccccc1O","O=C(O)c1c(cccc1)O",{"$nulls":4},138.031694052,"?"]
[270,"OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O","69-79-4","OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",{"$nulls":4},342.11621152400056,"?"]
[271,"O=C1NC2=C(NC=N2)C(=O)N1","69-89-6","O=c1[nH]c(=O)c2[nH]cnc2[nH]1","O=c1[nH]c2c(c([nH]1)=O)[nH]cn2",{"$nulls":4},152.033425368,"?"]
[272,"O=C1NC2=C(N1)C(=O)NC(=O)N2","69-93-2","O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1","O=c1[nH]c2c(c([nH]1)=O)[nH]c(=O)[nH]2",{"$nulls":4},168.028339988,"?"]
[273,"OC1=C(CC2=C(Cl)C(Cl)=CC(Cl)=C2O)C(Cl)=C(Cl)C=C1Cl","70-30-4","Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cc2c(c(cc(c2O)Cl)Cl)Cl",{"$nulls":4},403.84989551200016,"?"]
[274,"[O-][N+](=O)C1=CC=C(F)C(=C1)[N+]([O-])=O","70-34-8","O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)F)[N+](=O)[O-]",{"$nulls":4},186.007684796,"?"]
[275,"N[CH](CC(N)=O)C(O)=O","70-47-3","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O",{"$nulls":4},132.053492116,"?"]
[276,"OC(=O)CC(S)C(O)=O","70-49-5","O=C(O)CC(S)C(=O)O","O=C(O)CC(S)C(=O)O",{"$nulls":4},149.998679672,"?"]
[277,"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","70-51-9","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN",{"$nulls":4},560.3533624960013,"?"]
[278,"CC1=CC=C(C=C1)S(N)(=O)=O","70-55-3","Cc1ccc(S(N)(=O)=O)cc1","Cc1ccc(cc1)S(N)(=O)=O",{"$nulls":4},171.035399528,"?"]
[279,"CCC(=O)C1=CC=C(N)C=C1","70-69-9","CCC(=O)c1ccc(N)cc1","CCC(=O)c1ccc(cc1)N",{"$nulls":4},149.084063972,"?"]
[280,"CCC(=O)C1=CC=C(O)C=C1","70-70-2","CCC(=O)c1ccc(O)cc1","CCC(=O)c1ccc(cc1)O",{"$nulls":4},150.06807956,"?"]
[281,"N[CH](CC1=CN=CN1)C(O)=O","71-00-1","NC(Cc1cnc[nH]1)C(=O)O","NC(Cc1[nH]cnc1)C(=O)O",{"$nulls":4},155.069476528,"?"]
[282,"CCCO","71-23-8","CCCO","CCCO",{"$nulls":4},60.057514876,"?"]
[283,"NC1=NC(=O)NC=C1","71-30-7","Nc1cc[nH]c(=O)n1","Nc1nc([nH]cc1)=O",{"$nulls":4},111.04326178,"?"]
[284,"CCCCO","71-36-3","CCCCO","CCCCO",{"$nulls":4},74.07316494,"?"]
[285,"CCCCCO","71-41-0","CCCCCO","CCCCCO",{"$nulls":4},88.088815004,"?"]
[286,"C1=CC=CC=C1","71-43-2","c1ccccc1","c1ccccc1",{"$nulls":4},78.046950192,"?"]
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[290,"[Na+].CC(O)C([O-])=O","72-17-3","CC(O)C(=O)[O-]","CC(O)C(=O)O","[Na+]",{"$nulls":3},112.01363830000001,"Structure has been neutralized"]
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[293,null,"72-20-8",{"$nulls":7},""]
[294,null,"72-43-5",{"$nulls":7},""]
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[297,"ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1","72-55-9","ClC(Cl)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1","ClC(Cl)=C(c1ccc(cc1)Cl)c2ccc(cc2)Cl",{"$nulls":4},315.9380109760002,"?"]
[298,"CCC1=CC=C(C=C1)C(C(Cl)Cl)C1=CC=C(CC)C=C1","72-56-0","CCc1ccc(C(c2ccc(CC)cc2)C(Cl)Cl)cc1","CCc1ccc(cc1)C(c2ccc(cc2)CC)C(Cl)Cl",{"$nulls":4},306.09420600000055,"?"]
[299,"N[CH](CC1=CNC2=CC=CC=C12)C(O)=O","73-22-3","NC(Cc1c[nH]c2ccccc12)C(=O)O","NC(Cc1c2c([nH]c1)cccc2)C(=O)O",{"$nulls":4},204.089877624,"?"]
[300,"NC1=NC=NC2=C1N=CN2","73-24-5","Nc1ncnc2[nH]cnc12","Nc1c2c(ncn1)[nH]cn2",{"$nulls":4},135.05449516,"?"]
[301,"CC[CH](C)[CH](N)C(O)=O","73-32-5","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[302,"NC1=NC2=C(N=CN2)C(=O)N1","73-40-5","Nc1nc2[nH]cnc2c(=O)[nH]1","Nc1[nH]c(c2c(n1)[nH]cn2)=O",{"$nulls":4},151.04940978,"?"]
[303,"NS(=O)(=O)C1=C(C=C2NC(CC3=CC=CC=C3)NS(=O)(=O)C2=C1)C(F)(F)F","73-48-3","NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)Cc3ccccc3)(=O)=O)C(F)(F)F",{"$nulls":4},421.03778258800037,"?"]
[304,"CCC1NC(=O)C2=CC(=C(Cl)C=C2N1)S(N)(=O)=O","73-49-4","CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1","CCC1Nc2c(C(N1)=O)cc(S(N)(=O)=O)c(Cl)c2",{"$nulls":4},289.0287899240003,"?"]
[305,"OC(=O)C1=CC=C(Cl)C=C1","74-11-3","O=C(O)c1ccc(Cl)cc1","O=C(O)c1ccc(cc1)Cl",{"$nulls":4},155.99780708,"?"]
[306,"N[CH](CCCNC(N)=N)C(O)=O","74-79-3","N=C(N)NCCCC(N)C(=O)O","N=C(N)NCCCC(N)C(=O)O",{"$nulls":4},174.111675688,"?"]
[307,"C","74-82-8","C","C",{"$nulls":4},16.031300127999998,"?"]
[308,null,"74-83-9",{"$nulls":7},""]
[309,"CC","74-84-0","CC","CC",{"$nulls":4},30.046950191999997,"?"]
[310,"C=C","74-85-1","C=C","C=C",{"$nulls":4},28.031300127999998,"?"]
[311,"C#C","74-86-2","C#C","C#C",{"$nulls":4},26.015650064,"?"]
[312,"CCl","74-87-3","CCl","CCl",{"$nulls":4},49.992327775999996,"?"]
[313,"CI","74-88-4","CI","CI",{"$nulls":4},141.927948096,"?"]
[314,"CN","74-89-5","CN","CN",{"$nulls":4},31.042199159999996,"?"]
[315,"C#N","74-90-8","C#N","C#N",{"$nulls":4},27.010899031999998,"?"]
[316,"CS","74-93-1","CS","CS",{"$nulls":4},48.003371128,"?"]
[317,"BrCBr","74-95-3","BrCBr","BrCBr",{"$nulls":4},171.852324264,"?"]
[318,"CCBr","74-96-4","CCBr","CCBr",{"$nulls":4},107.95746226,"?"]
[319,"ClCBr","74-97-5","ClCBr","ClCBr",{"$nulls":4},127.902839844,"?"]
[320,"CCC","74-98-6","CCC","CCC",{"$nulls":4},44.062600255999996,"?"]
[321,"CC#C","74-99-7","C#CC","C#CC",{"$nulls":4},40.031300128,"?"]
[322,"CCCl","75-00-3","CCCl","CCCl",{"$nulls":4},64.00797784,"?"]
[323,"ClC=C","75-01-4","C=CCl","C=CCl",{"$nulls":4},61.992327775999996,"?"]
[324,"CCI","75-03-6","CCI","CCI",{"$nulls":4},155.94359816,"?"]
[325,"CCN","75-04-7","CCN","CCN",{"$nulls":4},45.057849223999995,"?"]
[326,"CC#N","75-05-8","CC#N","CC#N",{"$nulls":4},41.026549096,"?"]
[327,"CC=O","75-07-0","CC=O","CC=O",{"$nulls":4},44.026214748,"?"]
[328,"CCS","75-08-1","CCS","CCS",{"$nulls":4},62.019021192,"?"]
[329,"ClCCl","75-09-2","ClCCl","ClCCl",{"$nulls":4},83.953355424,"?"]
[330,"ICI","75-11-6","ICI","ICI",{"$nulls":4},267.82459606400005,"?"]
[331,"NC=O","75-12-7","NC=O","NC=O",{"$nulls":4},45.021463716,"?"]
[332,"S=C=S","75-15-0","S=C=S","S=C=S",{"$nulls":4},75.944142,"?"]
[333,"ON=C","75-17-2","C=NO","C=NO",{"$nulls":4},45.021463716,"?"]
[334,"CSC","75-18-3","CSC","CSC",{"$nulls":4},62.019021192,"?"]
[335,"C1CC1","75-19-4","C1CC1","C1CC1",{"$nulls":4},42.046950192,"?"]
[336,"C1CO1","75-21-8","C1CO1","C1OC1",{"$nulls":4},44.026214748,"?"]
[337,"BrC(Br)Br","75-25-2","BrC(Br)Br","BrC(Br)Br",{"$nulls":4},249.762836332,"?"]
[338,"CC(C)Br","75-26-3","CC(C)Br","CC(C)Br",{"$nulls":4},121.973112324,"?"]
[339,"ClC(Cl)Br","75-27-4","ClC(Cl)Br","ClC(Cl)Br",{"$nulls":4},161.863867492,"?"]
[340,"CC(C)C","75-28-5","CC(C)C","CC(C)C",{"$nulls":4},58.078250319999995,"?"]
[341,"CC(C)Cl","75-29-6","CC(C)Cl","CC(C)Cl",{"$nulls":4},78.023627904,"?"]
[342,"CC(C)I","75-30-9","CC(C)I","CC(C)I",{"$nulls":4},169.959248224,"?"]
[343,"CC(C)N","75-31-0","CC(C)N","CC(C)N",{"$nulls":4},59.073499287999994,"?"]
[344,"CC(Cl)Cl","75-34-3","CC(Cl)Cl","CC(Cl)Cl",{"$nulls":4},97.969005488,"?"]
[345,"ClC(Cl)=C","75-35-4","C=C(Cl)Cl","C=C(Cl)Cl",{"$nulls":4},95.953355424,"?"]
[346,"CC(F)F","75-37-6","CC(F)F","CC(F)F",{"$nulls":4},66.028106568,"?"]
[347,"FC(F)=C","75-38-7","C=C(F)F","C=C(F)F",{"$nulls":4},64.012456504,"?"]
[348,"FC(Cl)Cl","75-43-4","FC(Cl)Cl","FC(Cl)Cl",{"$nulls":4},101.943933612,"?"]
[349,"FC(F)Cl","75-45-6","FC(F)Cl","FC(F)Cl",{"$nulls":4},85.973484152,"?"]
[350,"FC(F)F","75-46-7","FC(F)F","FC(F)F",{"$nulls":4},70.003034692,"?"]
[351,"IC(I)I","75-47-8","IC(I)I","IC(I)I",{"$nulls":4},393.721244032,"?"]
[352,"CN(C)C","75-50-3","CN(C)C","CN(C)C",{"$nulls":4},59.073499287999994,"?"]
[353,"C[N+]([O-])=O","75-52-5","C[N+](=O)[O-]","C[N+](=O)[O-]",{"$nulls":4},61.016378336,"?"]
[354,"CC1CN1","75-55-8","CC1CN1","CC1NC1",{"$nulls":4},57.057849223999995,"?"]
[355,"CC1CO1","75-56-9","CC1CO1","CC1OC1",{"$nulls":4},58.041864812,"?"]
[356,"C[As](C)(O)=O","75-60-5","C[As](C)(=O)O","C[As](C)(=O)O",{"$nulls":4},137.966200964,"?"]
[357,"FC(F)(F)Br","75-63-8","FC(F)(F)Br","FC(F)(F)Br",{"$nulls":4},147.91354676,"?"]
[358,"CC(C)(C)N","75-64-9","CC(C)(C)N","CC(C)(C)N",{"$nulls":4},73.08914935199999,"?"]
[359,"CC(C)(C)O","75-65-0","CC(C)(C)O","CC(C)(C)O",{"$nulls":4},74.07316494,"?"]
[360,"CC(F)(F)Cl","75-68-3","CC(F)(F)Cl","CC(F)(F)Cl",{"$nulls":4},99.989134216,"?"]
[361,"FC(Cl)(Cl)Cl","75-69-4","FC(Cl)(Cl)Cl","FC(Cl)(Cl)Cl",{"$nulls":4},135.90496126,"?"]
[362,"FC(F)(Cl)Cl","75-71-8","FC(F)(Cl)Cl","FC(F)(Cl)Cl",{"$nulls":4},119.9345118,"?"]
[363,"FC(F)(F)Cl","75-72-9","FC(F)(F)Cl","FC(F)(F)Cl",{"$nulls":4},103.96406234,"?"]
[364,"FC(F)(F)F","75-73-0","FC(F)(F)F","FC(F)(F)F",{"$nulls":4},87.99361288,"?"]
[365,"CS(O)(=O)=O","75-75-2","CS(=O)(=O)O","CS(=O)(=O)O",{"$nulls":4},95.988114988,"?"]
[366,"C[Si](C)(C)C","75-76-3","C[Si](C)(C)C","C[Si](C)(C)C",{"$nulls":4},88.070826914,"?"]
[367,"OCC(Br)(Br)Br","75-80-9","OCC(Br)(Br)Br","OCC(Br)(Br)Br",{"$nulls":4},279.7734010160001,"?"]
[368,"CCC(C)(C)C","75-83-2","CCC(C)(C)C","CCC(C)(C)C",{"$nulls":4},86.109550448,"?"]
[369,"CC(C)(C)CO","75-84-3","CC(C)(C)CO","CC(C)(C)CO",{"$nulls":4},88.088815004,"?"]
[370,"CCC(C)(C)O","75-85-4","CCC(C)(C)O","CCC(C)(C)O",{"$nulls":4},88.088815004,"?"]
[371,"CC(C)(O)C#N","75-86-5","CC(C)(O)C#N","CC(C)(O)C#N",{"$nulls":4},85.052763844,"?"]
[372,"ClC(Cl)(Cl)C=O","75-87-6","O=CC(Cl)(Cl)Cl","O=CC(Cl)(Cl)Cl",{"$nulls":4},145.909297692,"?"]
[373,"FC(F)(F)CCl","75-88-7","FC(F)(F)CCl","FC(F)(F)CCl",{"$nulls":4},117.979712404,"?"]
[374,"OCC(F)(F)F","75-89-8","OCC(F)(F)F","OCC(F)(F)F",{"$nulls":4},100.013599376,"?"]
[375,"OC(=O)C(Br)(Br)Br","75-96-7","O=C(O)C(Br)(Br)Br","O=C(O)C(Br)(Br)Br",{"$nulls":4},293.75266557200007,"?"]
[376,"CC(=O)C(C)(C)C","75-97-8","CC(=O)C(C)(C)C","CC(=O)C(C)(C)C",{"$nulls":4},100.088815004,"?"]
[377,"CC(C)(C)C(O)=O","75-98-9","CC(C)(C)C(=O)O","CC(C)(C)C(=O)O",{"$nulls":4},102.06807956,"?"]
[378,"CC(Cl)(Cl)C(O)=O","75-99-0","CC(Cl)(Cl)C(=O)O","CC(Cl)(Cl)C(=O)O",{"$nulls":4},141.958834728,"?"]
[379,null,"76-00-6",{"$nulls":7},""]
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[381,"OC(=O)C(Cl)(Cl)Cl","76-03-9","O=C(O)C(Cl)(Cl)Cl","O=C(O)C(Cl)(Cl)Cl",{"$nulls":4},161.904212312,"?"]
[382,"OC(=O)C(F)(F)Cl","76-04-0","O=C(O)C(F)(F)Cl","O=C(O)C(F)(F)Cl",{"$nulls":4},129.963313392,"?"]
[383,"OC(=O)C(F)(F)F","76-05-1","O=C(O)C(F)(F)F","O=C(O)C(F)(F)F",{"$nulls":4},113.992863932,"?"]
[384,"[O-][N+](=O)C(Cl)(Cl)Cl","76-06-2","O=[N+]([O-])C(Cl)(Cl)Cl","O=[N+]([O-])C(Cl)(Cl)Cl",{"$nulls":4},162.89946128,"?"]
[385,"FC(F)(Cl)C(Cl)(Cl)Cl","76-11-9","FC(F)(Cl)C(Cl)(Cl)Cl","FC(F)(Cl)C(Cl)(Cl)Cl",{"$nulls":4},201.87221716,"?"]
[386,"FC(Cl)(Cl)C(F)(Cl)Cl","76-12-0","FC(Cl)(Cl)C(F)(Cl)Cl","FC(Cl)(Cl)C(F)(Cl)Cl",{"$nulls":4},201.87221716,"?"]
[387,"FC(F)(Cl)C(F)(Cl)Cl","76-13-1","FC(F)(Cl)C(F)(Cl)Cl","FC(F)(Cl)C(F)(Cl)Cl",{"$nulls":4},185.9017677,"?"]
[388,"FC(F)(Cl)C(F)(F)Cl","76-14-2","FC(F)(Cl)C(F)(F)Cl","FC(F)(Cl)C(F)(F)Cl",{"$nulls":4},169.93131824,"?"]
[389,"FC(F)(F)C(F)(F)Cl","76-15-3","FC(F)(F)C(F)(F)Cl","FC(F)(F)C(F)(F)Cl",{"$nulls":4},153.96086878,"?"]
[390,"FC(F)(F)C(F)(F)F","76-16-4","FC(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)F",{"$nulls":4},137.99041932,"?"]
[391,"FC(F)(F)C(F)(F)C(F)(F)F","76-19-7","FC(F)(F)C(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)C(F)(F)F",{"$nulls":4},187.98722576,"?"]
[392,"CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC","76-20-0","CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC",{"$nulls":4},242.064651056,"?"]
[393,"CC1(C)C2CCC1(C)C(=O)C2","76-22-2","CC12CCC(CC1=O)C2(C)C","CC12C(CC(CC1)C2(C)C)=O",{"$nulls":4},152.120115132,"?"]
[394,"OC1(C(=O)NC(=O)NC1=O)C1(O)C(=O)NC(=O)NC1=O","76-24-4","O=C1NC(=O)C(O)(C2(O)C(=O)NC(=O)NC2=O)C(=O)N1","O=C1NC(C(C(N1)=O)(O)C2(C(NC(NC2=O)=O)=O)O)=O",{"$nulls":4},286.0185631520001,"?"]
[395,"CC1(C)O[CH]2C[CH]3[CH]4CCC5=CC(=O)C=C[C]5(C)[C]4(F)[CH](O)C[C]3(C)[C]2(O1)C(=O)CO","76-25-5","CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1","CC1(OC2(C(O1)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C)C(=O)CO)C",{"$nulls":4},434.21046693200077,"?"]
[396,"COC(F)(F)C(Cl)Cl","76-38-0","COC(F)(F)C(Cl)Cl","COC(F)(F)C(Cl)Cl",{"$nulls":4},163.960726548,"?"]
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[398,"CC(Cl)C(Cl)(Cl)C(O)O","76-40-4","CC(Cl)C(Cl)(Cl)C(O)O","CC(Cl)C(Cl)(Cl)C(O)O",{"$nulls":4},191.951162504,"?"]
[399,"ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","76-44-8","ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C=C3)Cl",{"$nulls":4},369.8210939200001,"?"]
[400,"COC1=C2O[CH]3[CH](O)C=C[CH]4[CH]5CC(C=C1)=C2[C]34CCN5C","76-57-3","COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341","COc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O",{"$nulls":4},299.1521435320006,"?"]
[401,"CCOC1=C2O[CH]3[CH](O)C=C[CH]4[CH]5CC(C=C1)=C2[C]34CCN5C","76-58-4","CCOc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341","CCOc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O",{"$nulls":4},313.16779359600065,"?"]
[402,"CCCC(C)C1(CC)C(=O)NC(O)=NC1=O","76-74-4","CCCC(C)C1(CC)C(=O)N=C(O)NC1=O","CCCC(C)C1(C(NC(=NC1=O)O)=O)CC",{"$nulls":4},226.131742436,"?"]
[403,"CCC1(C(C)C)C(=O)NC(=O)NC1=O","76-76-6","CCC1(C(C)C)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C(C)C",{"$nulls":4},198.100442308,"?"]
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[507,"C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C","81-25-4","CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C",{"$nulls":4},408.2875743800011,"?"]
[508,"OC1=CC(O)=C(O)C2=C1C(=O)C1=C(C=CC=C1)C2=O","81-54-9","O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21","O=C1c2c(C(c3c1cccc3)=O)c(O)c(O)cc2O",{"$nulls":4},256.03717335600004,"?"]
[509,"CC(=O)CC(C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O","81-81-2","CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O","CC(=O)CC(c1ccccc1)c2c(oc3c(c2O)cccc3)=O",{"$nulls":4},308.1048589920004,"?"]
[510,"CC(=O)CC(C1=CC=C(Cl)C=C1)C1=C(O)C2=C(OC1=O)C=CC=C2","81-82-3","CC(=O)CC(c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O","CC(=O)CC(c1ccc(cc1)Cl)c2c(oc3c(c2O)cccc3)=O",{"$nulls":4},342.06588664000043,"?"]
[511,"OC(=O)C1=C(C=CC=C1)C(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1","81-90-3","O=C(O)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1","O=C(O)c1c(cccc1)C(c2ccc(cc2)O)c3ccc(cc3)O",{"$nulls":4},320.1048589920004,"?"]
[512,"COC1=C2OC(C)=CC(=O)C2=C(OC)C2=C1OC=C2","82-02-0","COc1c2occc2c(OC)c2c(=O)cc(C)oc12","COc1c2c(c(c3c1occ3)OC)c(=O)cc(C)o2",{"$nulls":4},260.06847348400015,"?"]
[513,"CC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1N","82-28-0","Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O","Cc1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)N",{"$nulls":4},237.078978592,"?"]
[514,"OS(=O)(=O)C1=CC=CC2=C1C(=O)C1=C(C=CC=C1C2=O)S(O)(=O)=O","82-48-4","O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2c1cccc2S(=O)(=O)O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)c(ccc2)S(=O)(=O)O",{"$nulls":4},367.96605921600013,"?"]
[515,"O=C(C(C1=CC=CC=C1)C1=CC=CC=C1)C1C(=O)C2=C(C=CC=C2)C1=O","82-66-6","O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccccc4",{"$nulls":4},340.1099443720004,"?"]
[516,"[O-][N+](=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","82-68-8","O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},292.83716664,"?"]
[517,"OC1=C(C(O)=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","82-71-3","O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O","O=[N+]([O-])c1c(c(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])O",{"$nulls":4},244.99201405600002,"?"]
[518,"CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1","82-92-8","CN1CCN(C(c2ccccc2)c2ccccc2)CC1","CN1CCN(CC1)C(c2ccccc2)c3ccccc3",{"$nulls":4},266.17829870400027,"?"]
[519,null,"83-07-8",{"$nulls":7},""]
[520,"CC(C)(C)C(=O)C1C(=O)C2=CC=CC=C2C1=O","83-26-1","CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O","CC(C)(C)C(=O)C1C(c2c(C1=O)cccc2)=O",{"$nulls":4},230.094294308,"?"]
[521,"C1CC2=C3C1=CC=CC3=CC=C2","83-32-9","c1cc2c3c(cccc3c1)CC2","c1cc2c3c(c1)CCc3ccc2",{"$nulls":4},154.07825032,"?"]
[522,"CC1=CNC2=C1C=CC=C2","83-34-1","Cc1c[nH]c2ccccc12","Cc1c2c([nH]c1)cccc2",{"$nulls":4},131.073499288,"?"]
[523,"CC1=C(O)C(=CC=C1)C(O)=O","83-40-9","Cc1cccc(C(=O)O)c1O","Cc1c(c(ccc1)C(=O)O)O",{"$nulls":4},152.047344116,"?"]
[524,"C[CH]1C[CH]2[CH]3CC[C](O)(C(=O)CO)[C]3(C)C[CH](O)[CH]2[C]2(C)C=CC(=O)C=C12","83-43-2","CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12","CC1C=2C(C3C(C1)C4C(CC3O)(C(CC4)(O)C(=O)CO)C)(C)C=CC(=O)C2",{"$nulls":4},374.2093240600008,"?"]
[525,"C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C","83-44-3","CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C",{"$nulls":4},392.2926597600011,"?"]
[526,null,"83-49-8",{"$nulls":7},""]
[527,"CN1C=CC(=O)C2=CC=CC=C12","83-54-5","Cn1ccc(=O)c2ccccc21","Cn1c2c(c(cc1)=O)cccc2",{"$nulls":4},159.068413908,"?"]
[528,"OC1=CC=CC2=C(O)C=CC=C12","83-56-7","Oc1cccc2c(O)cccc12","Oc1c2c(ccc1)c(O)ccc2",{"$nulls":4},160.052429496,"?"]
[529,"CN1C=NC2=C1C(=O)NC(=O)N2C","83-67-0","Cn1cnc2c1c(=O)[nH]c(=O)n2C","Cn1c2c(nc1)n(c([nH]c2=O)=O)C",{"$nulls":4},180.064725496,"?"]
[530,"COC1=CC2=C(C=C1OC)[CH]1[CH](CO2)OC2=C(C=CC3=C2C[CH](O3)C(C)=C)C1=O","83-79-4","C=C(C)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1","C=C(C)C1Oc2c(C1)c3c(cc2)C(C4C(O3)COc5c4cc(c(c5)OC)OC)=O",{"$nulls":4},394.1416384240006,"?"]
[531,"OP(O)(=O)O[CH]1[CH](OP(O)(O)=O)[CH](OP(O)(O)=O)[CH](OP(O)(O)=O)[CH](OP(O)(O)=O)[CH]1OP(O)(O)=O","83-86-3","O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O","O=P(O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O",{"$nulls":4},659.8613712360005,"?"]
[532,"CC1=CC2=C(C=C1C)N(C[CH](O)[CH](O)[CH](O)CO)C1=NC(=O)NC(=O)C1=N2","83-88-5","Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C","Cc1c(cc2c(c1)nc3-c(nc([nH]c3=O)=O)n2CC(O)C(O)C(O)CO)C",{"$nulls":4},376.13828436000057,"?"]
[533,"CC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1","84-06-0","CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1","CC(=O)OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",{"$nulls":4},445.1590758160008,"?"]
[534,"O=C1C(=O)C2=C(C=CC=C2)C2=C1C=CC=C2","84-11-7","O=C1C(=O)c2ccccc2-c2ccccc21","O=C1c2c(-c3c(C1=O)cccc3)cccc2",{"$nulls":4},208.052429496,"?"]
[535,"C1=CC=C(C=C1)C1=CC=CC=C1C1=CC=CC=C1","84-15-1","c1ccc(-c2ccccc2-c2ccccc2)cc1","c1ccc(cc1)-c2c(cccc2)-c3ccccc3",{"$nulls":4},230.109550448,"?"]
[536,"CC[CH]([CH](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1","84-16-2","CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1","CCC(c1ccc(cc1)O)C(CC)c2ccc(cc2)O",{"$nulls":4},270.1619799440004,"?"]
[537,"CC=C(C(=CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1","84-17-3","CC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1","CC=C(C(=CC)c1ccc(cc1)O)c2ccc(cc2)O",{"$nulls":4},266.1306798160003,"?"]
[538,"NC1=C2N=CN([CH]3O[CH](CO)[CH](OP(O)(O)=O)[CH]3O)C2=NC=N1","84-21-9","Nc1ncnc2c1ncn2C1OC(CO)C(OP(=O)(O)O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O",{"$nulls":4},347.0630844180004,"?"]
[539,null,"84-31-1",{"$nulls":7},""]
[540,"OC1=CC2=C(C=C1)C(=O)C1=C(C=CC(O)=C1)C2=O","84-60-6","O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21","O=C1c2c(C(c3c1ccc(O)c3)=O)ccc(O)c2",{"$nulls":4},240.042258736,"?"]
[541,"O=C(OC1CCCCC1)C1=C(C=CC=C1)C(=O)OC1CCCCC1","84-61-7","O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1","O=C(OC1CCCCC1)c2c(cccc2)C(=O)OC3CCCCC3",{"$nulls":4},330.18310931200074,"?"]
[542,"O=C(OC1=CC=CC=C1)C1=CC=CC=C1C(=O)OC1=CC=CC=C1","84-62-8","O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1","O=C(Oc1ccccc1)c2c(cccc2)C(=O)Oc3ccccc3",{"$nulls":4},318.0892089280004,"?"]
[543,"O=C1C2=C(C=CC=C2)C(=O)C2=C1C=CC=C2","84-65-1","O=C1c2ccccc2C(=O)c2ccccc21","O=C1c2c(C(c3c1cccc3)=O)cccc2",{"$nulls":4},208.052429496,"?"]
[544,"CCOC(=O)C1=CC=CC=C1C(=O)OCC","84-66-2","CCOC(=O)c1ccccc1C(=O)OCC","CCOC(=O)c1c(cccc1)C(=O)OCC",{"$nulls":4},222.089208928,"?"]
[545,"CC(C)COC(=O)C1=C(C=CC=C1)C(=O)OCC(C)C","84-69-5","CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C","CC(C)COC(=O)c1c(cccc1)C(=O)OCC(C)C",{"$nulls":4},278.1518091840006,"?"]
[546,"CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC","84-74-2","CCCCOC(=O)c1ccccc1C(=O)OCCCC","CCCCOC(=O)c1c(cccc1)C(=O)OCCCC",{"$nulls":4},278.1518091840006,"?"]
[547,"CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC","84-75-3","CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC","CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC",{"$nulls":4},334.21440944000085,"?"]
[548,"CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCC","84-77-5","CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC","CCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCCCC",{"$nulls":4},446.33960995200124,"?"]
[549,"COC1=C2C=CC(=O)OC2=CC2=C1C=CC(C)(C)O2","84-99-1","COc1c2c(cc3oc(=O)ccc13)OC(C)(C)C=C2","COc1c2c(cc3c1C=CC(O3)(C)C)oc(=O)cc2",{"$nulls":4},258.08920892800006,"?"]
[550,"[Br-].[Br-].C1C[N+]2=C(C=CC=C2)C2=[N+]1C=CC=C2","85-00-7","c1cc[n+]2c(c1)-c1cccc[n+]1CC2","c1cc-2[n+](cc1)CC[n+]3c2cccc3","[Br-]","[Br-]",null,null,341.936722584,"?"]
[551,"C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2","85-01-8","c1ccc2c(c1)ccc1ccccc12","c1cc2c(cc1)c3c(cc2)cccc3",{"$nulls":4},178.07825032,"?"]
[552,"C1=CC=C2C(C=CC3=C2C=CC=N3)=C1","85-02-9","c1ccc2c(c1)ccc1ncccc12","c1cc2c(cc1)c3c(cc2)nccc3",{"$nulls":4},179.073499288,"?"]
[553,"CN1C2=C(NC(Cl)=N2)C(=O)N(C)C1=O","85-18-7","Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O","Cn1c(n(c2c(c1=O)[nH]c(Cl)n2)C)=O",{"$nulls":4},214.025753144,"?"]
[554,"OC(=O)CC1=C(Cl)C=CC(Cl)=C1Cl","85-34-7","O=C(O)Cc1c(Cl)ccc(Cl)c1Cl","O=C(O)Cc1c(c(ccc1Cl)Cl)Cl",{"$nulls":4},237.93551244,"?"]
[555,"OC(=O)C1=C(O)C(=CC=C1)[N+]([O-])=O","85-38-1","O=C(O)c1cccc([N+](=O)[O-])c1O","O=C(O)c1c(c(ccc1)[N+](=O)[O-])O",{"$nulls":4},183.01677226,"?"]
[556,"O=C1NC(=O)C2=C1C=CC=C2","85-41-6","O=C1NC(=O)c2ccccc21","O=C1c2c(C(N1)=O)cccc2",{"$nulls":4},147.0320284,"?"]
[557,"O=C1OC(=O)C2=C1C=CC=C2","85-44-9","O=C1OC(=O)c2ccccc21","O=C1c2c(C(O1)=O)cccc2",{"$nulls":4},148.01604398799998,"?"]
[558,"OC(=O)C1=C(C=CC=C1)C(=O)C1=CC=C(Cl)C=C1","85-56-3","O=C(O)c1ccccc1C(=O)c1ccc(Cl)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Cl",{"$nulls":4},260.0240218280001,"?"]
[559,"OC(=O)C1=C(C=CC=C1)C(=O)C1=CC=C(O)C=C1","85-57-4","O=C(O)c1ccccc1C(=O)c1ccc(O)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)O",{"$nulls":4},242.0579088,"?"]
[560,"CCCCOC(=O)C1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1","85-68-7","CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1","CCCCOC(=O)c1c(cccc1)C(=O)OCc2ccccc2",{"$nulls":4},312.13615912000057,"?"]
[561,"CC1=CC(NC(=O)C2=CC=CC=C2C(O)=O)=CC=C1","85-72-3","Cc1cccc(NC(=O)c2ccccc2C(=O)O)c1","Cc1cc(ccc1)NC(=O)c2c(cccc2)C(=O)O",{"$nulls":4},255.089543276,"?"]
[562,"OC(=O)C1=C(C=CC=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1","85-73-4","O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1","O=C(O)c1c(cccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3sccn3",{"$nulls":4},403.02966251600037,"?"]
[563,"NC1=CC=C(C2=CC(=CC=C12)S(O)(=O)=O)S(O)(=O)=O","85-74-5","Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)ccc12","Nc1c2c(c(cc1)S(=O)(=O)O)cc(S(=O)(=O)O)cc2",{"$nulls":4},302.9871290080002,"?"]
[564,"NC1=CC=C(C2=CC=C(C=C12)S(O)(=O)=O)S(O)(=O)=O","85-75-6","Nc1ccc(S(=O)(=O)O)c2ccc(S(=O)(=O)O)cc12","Nc1c2c(c(cc1)S(=O)(=O)O)ccc(S(=O)(=O)O)c2",{"$nulls":4},302.9871290080002,"?"]
[565,"CCCCOC1=CC(C(=O)NCCN(CC)CC)=C2C=CC=CC2=N1","85-79-0","CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1","CCCCOc1nc2c(c(c1)C(=O)NCCN(CC)CC)cccc2",{"$nulls":4},343.22597716800084,"?"]
[566,"NC1=CC=C2C=CC=CC2=C1N=NC1=CC=CC=C1","85-84-7","Nc1ccc2ccccc2c1N=Nc1ccccc1","Nc1c(c2c(cc1)cccc2)N=Nc3ccccc3",{"$nulls":4},247.110947416,"?"]
[567,"N#CC(C1=CC=CC=C1)C1=CC=CC=C1","86-29-3","N#CC(c1ccccc1)c1ccccc1","N#CC(c1ccccc1)c2ccccc2",{"$nulls":4},193.089149352,"?"]
[568,"O=NN(C1=CC=CC=C1)C1=CC=CC=C1","86-30-6","O=NN(c1ccccc1)c1ccccc1","O=NN(c1ccccc1)c2ccccc2",{"$nulls":4},198.07931294,"?"]
[569,null,"86-50-0",{"$nulls":7},""]
[570,"OC(=O)C1=C2C=CC=CC2=CC=C1","86-55-5","O=C(O)c1cccc2ccccc12","O=C(O)c1c2c(ccc1)cccc2",{"$nulls":4},172.052429496,"?"]
[571,"[O-][N+](=O)C1=C2C=CC=CC2=CC=C1","86-57-7","O=[N+]([O-])c1cccc2ccccc12","O=[N+]([O-])c1c2c(ccc1)cccc2",{"$nulls":4},173.047678464,"?"]
[572,"OC(=O)C1=CC=CC2=C1N=CC=C2","86-59-9","O=C(O)c1cccc2cccnc12","O=C(O)c1c2c(ccc1)cccn2",{"$nulls":4},173.047678464,"?"]
[573,"NC1=CC2=C(C=C(C=C2C=C1)S(O)(=O)=O)S(O)(=O)=O","86-65-7","Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1","Nc1cc2c(cc1)cc(S(=O)(=O)O)cc2S(=O)(=O)O",{"$nulls":4},302.9871290080002,"?"]
[574,"C1C2=C(C=CC=C2)C2=C1C=CC=C2","86-73-7","c1ccc2c(c1)Cc1ccccc1-2","c1cc2c(cc1)-c3c(C2)cccc3",{"$nulls":4},166.07825032,"?"]
[575,"N1C2=CC=CC=C2C2=C1C=CC=C2","86-74-8","c1ccc2c(c1)[nH]c1ccccc12","c1cc2c(cc1)c3c([nH]2)cccc3",{"$nulls":4},167.073499288,"?"]
[576,"COC1=CC(C=O)=CC(OC)=C1OC","86-81-7","COc1cc(C=O)cc(OC)c1OC","COc1c(c(cc(c1)C=O)OC)OC",{"$nulls":4},196.073558864,"?"]
[577,"NC(=O)CC1=C2C=CC=CC2=CC=C1","86-86-2","NC(=O)Cc1cccc2ccccc12","NC(=O)Cc1c2c(ccc1)cccc2",{"$nulls":4},185.084063972,"?"]
[578,"OC(=O)CC1=C2C=CC=CC2=CC=C1","86-87-3","O=C(O)Cc1cccc2ccccc12","O=C(O)Cc1c2c(ccc1)cccc2",{"$nulls":4},186.06807956,"?"]
[579,"NC(=S)NC1=C2C=CC=CC2=CC=C1","86-88-4","NC(=S)Nc1cccc2ccccc12","NC(=S)Nc1c2c(ccc1)cccc2",{"$nulls":4},202.05646932,"?"]
[580,"O=C1NC(=O)C2=CC=CC=C2N1","86-96-4","O=c1[nH]c(=O)c2ccccc2[nH]1","O=c1[nH]c2c(c([nH]1)=O)cccc2",{"$nulls":4},162.042927432,"?"]
[581,"CN1[CH]2CC[CH]1C[CH](C2)OC(=O)C(O)C1=CC=CC=C1","87-00-3","CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3",{"$nulls":4},275.15214353200054,"?"]
[582,"OC1=C(C=CC=C1)C(=O)NC1=CC=CC=C1","87-17-2","O=C(Nc1ccccc1)c1ccccc1O","O=C(Nc1ccccc1)c2c(cccc2)O",{"$nulls":4},213.078978592,"?"]
[583,"CC(C)CCOC(=O)C1=C(O)C=CC=C1","87-20-7","CC(C)CCOC(=O)c1ccccc1O","CC(C)CCOC(=O)c1c(cccc1)O",{"$nulls":4},208.109944372,"?"]
[584,"OCCOC(=O)C1=CC=CC=C1O","87-28-5","O=C(OCCO)c1ccccc1O","O=C(OCCO)c1c(cccc1)O",{"$nulls":4},182.0579088,"?"]
[585,"CC(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O","87-32-1","CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O","CC(=O)NC(Cc1c2c([nH]c1)cccc2)C(=O)O",{"$nulls":4},246.100442308,"?"]
[586,"[H][C]12OC[CH](O[N+]([O-])=O)[C]1([H])OC[CH]2O[N+]([O-])=O","87-33-2","O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12","O=[N+]([O-])OC1C2C(OC1)C(O[N+](=O)[O-])CO2",{"$nulls":4},236.02806521600002,"?"]
[587,"COC1=C(Cl)C=C(Cl)C=C1Cl","87-40-1","COc1c(Cl)cc(Cl)cc1Cl","COc1c(cc(cc1Cl)Cl)Cl",{"$nulls":4},209.94059782,"?"]
[588,null,"87-42-3",{"$nulls":7},""]
[589,"CN(C)C(=O)OC1=CC(C)=NN1C1=CC=CC=C1","87-47-8","Cc1cc(OC(=O)N(C)C)n(-c2ccccc2)n1","Cc1nn(c(c1)OC(=O)N(C)C)-c2ccccc2",{"$nulls":4},245.11642672,"?"]
[590,"OC(=O)CC1=CNC2=C1C=CC=C2","87-51-4","O=C(O)Cc1c[nH]c2ccccc12","O=C(O)Cc1c2c([nH]c1)cccc2",{"$nulls":4},175.063328528,"?"]
[591,"ClC1=CC=CC(Cl)=C1Cl","87-61-6","Clc1cccc(Cl)c1Cl","Clc1c(c(ccc1)Cl)Cl",{"$nulls":4},179.930033136,"?"]
[592,"CC1=CC=CC(C)=C1N","87-62-7","Cc1cccc(C)c1N","Cc1c(c(ccc1)C)N",{"$nulls":4},121.08914935199999,"?"]
[593,"CC1=C(O)C(Cl)=CC=C1","87-64-9","Cc1cccc(Cl)c1O","Cc1c(c(ccc1)Cl)O",{"$nulls":4},142.018542524,"?"]
[594,"OC1=C(Cl)C=CC=C1Cl","87-65-0","Oc1c(Cl)cccc1Cl","Oc1c(cccc1Cl)Cl",{"$nulls":4},161.963920108,"?"]
[595,"OC1=CC=CC(O)=C1O","87-66-1","Oc1cccc(O)c1O","Oc1c(c(ccc1)O)O",{"$nulls":4},126.031694052,"?"]
[596,"ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl","87-68-3","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl",{"$nulls":4},257.81311608,"?"]
[597,"O[CH]([CH](O)C(O)=O)C(O)=O","87-69-4","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",{"$nulls":4},150.01643791200001,"?"]
[598,"OC[CH](O)[CH](O)[CH](O)C(=O)CO","87-79-6","O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO",{"$nulls":4},180.063388104,"?"]
[599,"BrC1=C(Br)C(Br)=C(Br)C(Br)=C1Br","87-82-1","Brc1c(Br)c(Br)c(Br)c(Br)c1Br","Brc1c(c(c(c(c1Br)Br)Br)Br)Br",{"$nulls":4},545.5100226000001,"?"]
[600,"CC1=C(C)C(C)=C(C)C(C)=C1C","87-85-4","Cc1c(C)c(C)c(C)c(C)c1C","Cc1c(c(c(c(c1C)C)C)C)C",{"$nulls":4},162.140850576,"?"]
[601,null,"87-86-5",{"$nulls":7},""]
[602,"OC1=C(Cl)C(=O)C(O)=C(Cl)C1=O","87-88-7","O=C1C(O)=C(Cl)C(=O)C(O)=C1Cl","O=C1C(=C(C(C(=C1O)Cl)=O)O)Cl",{"$nulls":4},207.933013904,"?"]
[603,"O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O","87-89-8","OC1C(O)C(O)C(O)C(O)C1O","OC1C(C(C(C(C1O)O)O)O)O",{"$nulls":4},180.063388104,"?"]
[604,"ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O","87-90-1","O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl","O=c1n(c(n(c(n1Cl)=O)Cl)=O)Cl",{"$nulls":4},230.9005239,"?"]
[605,"OC[CH](O)[CH](O)[CH](O)CO","87-99-0","OCC(O)C(O)C(O)CO","OCC(O)C(O)C(O)CO",{"$nulls":4},152.068473484,"?"]
[606,"CC1=CC(O)=CC(C)=C1Cl","88-04-0","Cc1cc(O)cc(C)c1Cl","Cc1c(c(cc(c1)O)C)Cl",{"$nulls":4},156.034192588,"?"]
[607,"OC1=C(Cl)C=C(Cl)C=C1Cl","88-06-2","Oc1c(Cl)cc(Cl)cc1Cl","Oc1c(cc(cc1Cl)Cl)Cl",{"$nulls":4},195.924947756,"?"]
[608,"CCC(CC)C(O)=O","88-09-5","CCC(CC)C(=O)O","CCC(CC)C(=O)O",{"$nulls":4},116.083729624,"?"]
[609,"OC(=O)C1=CSC=C1","88-13-1","O=C(O)c1ccsc1","O=C(O)c1cscc1",{"$nulls":4},127.993200368,"?"]
[610,"OC(=O)C1=CC=CO1","88-14-2","O=C(O)c1ccco1","O=C(O)c1occc1",{"$nulls":4},112.016043988,"?"]
[611,"CC(=O)C1=CC=CS1","88-15-3","CC(=O)c1cccs1","CC(=O)c1sccc1",{"$nulls":4},126.013935812,"?"]
[612,"CC(C)(C)C1=C(O)C=CC=C1","88-18-6","CC(C)(C)c1ccccc1O","CC(C)(C)c1c(cccc1)O",{"$nulls":4},150.104465068,"?"]
[613,"CC1=C(C=CC=C1)S(N)(=O)=O","88-19-7","Cc1ccccc1S(N)(=O)=O","Cc1c(cccc1)S(N)(=O)=O",{"$nulls":4},171.035399528,"?"]
[614,null,"88-30-2",{"$nulls":7},""]
[615,"CC1=CC=C(N)C(=C1)S(O)(=O)=O","88-44-8","Cc1ccc(N)c(S(=O)(=O)O)c1","Cc1cc(c(cc1)N)S(=O)(=O)O",{"$nulls":4},187.030314148,"?"]
[616,"OC(=O)C1=C(Br)C=CC=C1","88-65-3","O=C(O)c1ccccc1Br","O=C(O)c1c(cccc1)Br",{"$nulls":4},199.9472915,"?"]
[617,"OC(=O)C1=CC=CC=C1I","88-67-5","O=C(O)c1ccccc1I","O=C(O)c1c(cccc1)I",{"$nulls":4},247.9334274,"?"]
[618,"CC1=CC=CC=C1[N+]([O-])=O","88-72-2","Cc1ccccc1[N+](=O)[O-]","Cc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},137.047678464,"?"]
[619,"[O-][N+](=O)C1=C(Cl)C=CC=C1","88-73-3","O=[N+]([O-])c1ccccc1Cl","O=[N+]([O-])c1c(cccc1)Cl",{"$nulls":4},156.993056048,"?"]
[620,"NC1=CC=CC=C1[N+]([O-])=O","88-74-4","Nc1ccccc1[N+](=O)[O-]","Nc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},138.042927432,"?"]
[621,"OC1=C(C=CC=C1)[N+]([O-])=O","88-75-5","O=[N+]([O-])c1ccccc1O","O=[N+]([O-])c1c(cccc1)O",{"$nulls":4},139.02694302,"?"]
[622,"CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O","88-85-7","CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",{"$nulls":4},240.074621484,"?"]
[623,"[O-][N+](=O)C1=CC(=C(Cl)C(=C1)[N+]([O-])=O)[N+]([O-])=O","88-88-0","O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]",{"$nulls":4},246.963212464,"?"]
[624,"OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","88-89-1","O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]",{"$nulls":4},228.997099436,"?"]
[625,"NC(=O)C1=C(C=CC=C1)C(N)=O","88-96-0","NC(=O)c1ccccc1C(N)=O","NC(=O)c1c(cccc1)C(N)=O",{"$nulls":4},164.058577496,"?"]
[626,"OC(=O)C1=CC=CC=C1C(O)=O","88-99-3","O=C(O)c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(=O)O",{"$nulls":4},166.026608672,"?"]
[627,"OC(=O)C1=C(N=CC=C1)C(O)=O","89-00-9","O=C(O)c1cccnc1C(=O)O","O=C(O)c1c(nccc1)C(=O)O",{"$nulls":4},167.02185764,"?"]
[628,"OC(=O)C1=CC(C(O)=O)=C(C=C1C(O)=O)C(O)=O","89-05-4","O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O","O=C(O)c1c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O",{"$nulls":4},254.00626715200002,"?"]
[629,null,"89-38-3",{"$nulls":7},""]
[630,"COC1=CC(=C(OC)C=C1)[N+]([O-])=O","89-39-4","COc1ccc(OC)c([N+](=O)[O-])c1","COc1cc(c(cc1)OC)[N+](=O)[O-]",{"$nulls":4},183.053157768,"?"]
[631,"OC(=O)CC1=C(C=CC=C1)C(O)=O","89-51-0","O=C(O)Cc1ccccc1C(=O)O","O=C(O)Cc1c(cccc1)C(=O)O",{"$nulls":4},180.042258736,"?"]
[632,"CC1=CC(C(O)=O)=C(O)C=C1","89-56-5","Cc1ccc(O)c(C(=O)O)c1","Cc1cc(c(cc1)O)C(=O)O",{"$nulls":4},152.047344116,"?"]
[633,"[O-][N+](=O)C1=C(Cl)C=CC(Cl)=C1","89-61-2","O=[N+]([O-])c1cc(Cl)ccc1Cl","O=[N+]([O-])c1c(ccc(c1)Cl)Cl",{"$nulls":4},190.954083696,"?"]
[634,"NC1=C(C=C(Cl)C=C1)[N+]([O-])=O","89-63-4","Nc1ccc(Cl)cc1[N+](=O)[O-]","Nc1c(cc(cc1)Cl)[N+](=O)[O-]",{"$nulls":4},172.00395508,"?"]
[635,"OC1=C(C=C(Cl)C=C1)[N+]([O-])=O","89-64-5","O=[N+]([O-])c1cc(Cl)ccc1O","O=[N+]([O-])c1c(ccc(c1)Cl)O",{"$nulls":4},172.987970668,"?"]
[636,"OC[CH](O)[CH]1OC(=O)C(O)=C1O","89-65-6","O=C1OC(C(O)CO)C(O)=C1O","O=C1C(=C(C(O1)C(O)CO)O)O",{"$nulls":4},176.032087976,"?"]
[637,null,"89-67-8",{"$nulls":7},""]
[638,"CC(C)C1=CC(Cl)=C(C)C=C1O","89-68-9","Cc1cc(O)c(C(C)C)cc1Cl","Cc1c(cc(c(c1)O)C(C)C)Cl",{"$nulls":4},184.065492716,"?"]
[639,"[O-][N+](=O)C1=CC(Cl)=C(Cl)C=C1Cl","89-69-0","O=[N+]([O-])c1cc(Cl)c(Cl)cc1Cl","O=[N+]([O-])c1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},224.915111344,"?"]
[640,"CC(C)[CH]1CC[CH](C)C[CH]1O","89-78-1","CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O",{"$nulls":4},156.15141526,"?"]
[641,"CC(C)[CH]1CC[CH](C)CC1=O","89-80-5","CC1CCC(C(C)C)C(=O)C1","CC1CC(C(CC1)C(C)C)=O",{"$nulls":4},154.135765196,"?"]
[642,"CC(C)C1=CC=C(C)C=C1O","89-83-8","Cc1ccc(C(C)C)c(O)c1","Cc1cc(c(cc1)C(C)C)O",{"$nulls":4},150.104465068,"?"]
[643,"OC(=O)C1=CC=C(O)C=C1O","89-86-1","O=C(O)c1ccc(O)cc1O","O=C(O)c1c(cc(cc1)O)O",{"$nulls":4},154.026608672,"?"]
[644,"CCC1=C(O)C=CC=C1","90-00-6","CCc1ccccc1O","CCc1c(cccc1)O",{"$nulls":4},122.07316494,"?"]
[645,"OCC1=CC=CC=C1O","90-01-7","OCc1ccccc1O","OCc1c(cccc1)O",{"$nulls":4},124.052429496,"?"]
[646,"OC1=CC=CC=C1C=O","90-02-8","O=Cc1ccccc1O","O=Cc1c(cccc1)O",{"$nulls":4},122.036779432,"?"]
[647,"COC1=CC=CC=C1N","90-04-0","COc1ccccc1N","COc1c(cccc1)N",{"$nulls":4},123.068413908,"?"]
[648,"COC1=C(O)C=CC=C1","90-05-1","COc1ccccc1O","COc1c(cccc1)O",{"$nulls":4},124.052429496,"?"]
[649,"BrC1=C2C=CC=CC2=CC=C1","90-11-9","Brc1cccc2ccccc12","Brc1c2c(ccc1)cccc2",{"$nulls":4},205.973112324,"?"]
[650,"CC1=C2C=CC=CC2=CC=C1","90-12-0","Cc1cccc2ccccc12","Cc1c2c(ccc1)cccc2",{"$nulls":4},142.07825032,"?"]
[651,"ClC1=C2C=CC=CC2=CC=C1","90-13-1","Clc1cccc2ccccc12","Clc1c2c(ccc1)cccc2",{"$nulls":4},162.023627904,"?"]
[652,"IC1=C2C=CC=CC2=CC=C1","90-14-2","Ic1cccc2ccccc12","Ic1c2c(ccc1)cccc2",{"$nulls":4},253.959248224,"?"]
[653,"OC1=CC=CC2=CC=CC=C12","90-15-3","Oc1cccc2ccccc12","Oc1c2c(ccc1)cccc2",{"$nulls":4},144.057514876,"?"]
[654,"N(C1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1","90-30-2","c1ccc(Nc2cccc3ccccc23)cc1","c1ccc(cc1)Nc2c3c(ccc2)cccc3",{"$nulls":4},219.104799416,"?"]
[655,"[H][C]12C[C]([H])(CN3CCCC[C]3([H])C1)[C]1([H])CCCCN21","90-39-1","C1CCN2CC3CC(CC2C1)N1CCCCC31","C1CC2N(CC1)CC3C4N(C(C3)C2)CCCC4",{"$nulls":4},234.20959883199998,"?"]
[656,"OC1=C(C=CC=C1)C1=CC=CC=C1","90-43-7","Oc1ccccc1-c1ccccc1","Oc1c(cccc1)-c2ccccc2",{"$nulls":4},170.07316494,"?"]
[657,"OC(C(O)=O)C1=CC=CC=C1","90-64-2","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",{"$nulls":4},152.047344116,"?"]
[658,"COC(=CC(O)=O)C(=O)C(C)=C","90-65-3","C=C(C)C(=O)C(=CC(=O)O)OC","C=C(C)C(=O)C(=CC(=O)O)OC",{"$nulls":4},170.0579088,"?"]
[659,"OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O","90-80-2","O=C1OC(CO)C(O)C(O)C1O","O=C1C(C(C(C(O1)CO)O)O)O",{"$nulls":4},178.04773804,"?"]
[660,"CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C","90-94-8","CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1","CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C",{"$nulls":4},268.15756326000036,"?"]
[661,"OC(C1=CC=CC=C1)C1=CC=CC=C1","91-01-0","OC(c1ccccc1)c1ccccc1","OC(c1ccccc1)c2ccccc2",{"$nulls":4},184.088815004,"?"]
[662,"COC1=CC=CC(OC)=C1O","91-10-1","COc1cccc(OC)c1O","COc1c(c(ccc1)OC)O",{"$nulls":4},154.06299418,"?"]
[663,"N#CC1=CC=CC=C1C#N","91-15-6","N#Cc1ccccc1C#N","N#Cc1c(cccc1)C#N",{"$nulls":4},128.037448128,"?"]
[664,"C1CCC2CCCCC2C1","91-17-8","C1CCC2CCCCC2C1","C1CC2C(CC1)CCCC2",{"$nulls":4},138.140850576,"?"]
[665,"C1=CN=C2N=CN=CC2=N1","91-18-9","c1cnc2ncncc2n1","c1nc2c(nc1)ncnc2",{"$nulls":4},132.043596128,"?"]
[666,"C1=CC2=C(C=C1)N=CC=N2","91-19-0","c1ccc2nccnc2c1","c1cc2c(cc1)nccn2",{"$nulls":4},130.053098192,"?"]
[667,"C1=CC2=CC=CC=C2C=C1","91-20-3","c1ccc2ccccc2c1","c1cc2c(cc1)cccc2",{"$nulls":4},128.062600256,"?"]
[668,"C1=CC2=C(C=C1)N=CC=C2","91-22-5","c1ccc2ncccc2c1","c1cc2c(cc1)nccc2",{"$nulls":4},129.057849224,"?"]
[669,"COC1=C(C=CC=C1)[N+]([O-])=O","91-23-6","COc1ccccc1[N+](=O)[O-]","COc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},153.042593084,"?"]
[670,"CC1=CC2=CC=CC=C2C=C1","91-57-6","Cc1ccc2ccccc2c1","Cc1cc2c(cc1)cccc2",{"$nulls":4},142.07825032,"?"]
[671,"ClC1=CC=C2C=CC=CC2=C1","91-58-7","Clc1ccc2ccccc2c1","Clc1cc2c(cc1)cccc2",{"$nulls":4},162.023627904,"?"]
[672,"NC1=CC2=C(C=CC=C2)C=C1","91-59-8","Nc1ccc2ccccc2c1","Nc1cc2c(cc1)cccc2",{"$nulls":4},143.073499288,"?"]
[673,"O=C1OC2=C(C=CC=C2)C=C1","91-64-5","O=c1ccc2ccccc2o1","O=c1oc2c(cc1)cccc2",{"$nulls":4},146.036779432,"?"]
[674,"CCN(CC)C1=CC=CC=C1","91-66-7","CCN(CC)c1ccccc1","CCN(CC)c1ccccc1",{"$nulls":4},149.12044948,"?"]
[675,"C(N(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NCCN1","91-75-8","c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1","c1ccc(cc1)CN(CC=2NCCN2)c3ccccc3",{"$nulls":4},265.15789760800027,"?"]
[676,"NC1=NC(=NC(N)=N1)C1=CC=CC=C1","91-76-9","Nc1nc(N)nc(-c2ccccc2)n1","Nc1nc(nc(n1)N)-c2ccccc2",{"$nulls":4},187.08579528799999,"?"]
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[681,"OC1=C(O)C=C(C=C1)C1=CC=CC=C1","92-05-7","Oc1ccc(-c2ccccc2)cc1O","Oc1c(cc(cc1)-c2ccccc2)O",{"$nulls":4},186.06807956,"?"]
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[704,"CCC(=O)C1=CC=CC=C1","93-55-0","CCC(=O)c1ccccc1","CCC(=O)c1ccccc1",{"$nulls":4},134.07316494,"?"]
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[712,null,"93-88-9",{"$nulls":7},""]
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[725,"CCCCOC(=O)C1=CC=C(O)C=C1","94-26-8","CCCCOC(=O)c1ccc(O)cc1","CCCCOC(=O)c1ccc(cc1)O",{"$nulls":4},194.094294308,"?"]
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[728,null,"94-63-3",{"$nulls":7},""]
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[731,null,"94-77-9",{"$nulls":7},""]
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[736,"CCCC(O)C(CC)CO","94-96-2","CCCC(O)C(CC)CO","CCCC(O)C(CC)CO",{"$nulls":4},146.130679816,"?"]
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[740,"S1C=CC2=C1C=CC=C2","95-15-8","c1ccc2sccc2c1","c1cc2c(cc1)scc2",{"$nulls":4},134.019021192,"?"]
[741,"S1C=NC2=CC=CC=C12","95-16-9","c1ccc2scnc2c1","c1cc2c(cc1)scn2",{"$nulls":4},135.01427016,"?"]
[742,"CC(=NO)C(C)=NO","95-45-4","CC(=NO)C(C)=NO","CC(=NO)C(C)=NO",{"$nulls":4},116.058577496,"?"]
[743,"CC1=C(C)C=CC=C1","95-47-6","Cc1ccccc1C","Cc1c(cccc1)C",{"$nulls":4},106.07825032,"?"]
[744,"CC1=C(O)C=CC=C1","95-48-7","Cc1ccccc1O","Cc1c(cccc1)O",{"$nulls":4},108.057514876,"?"]
[745,"CC1=C(Cl)C=CC=C1","95-49-8","Cc1ccccc1Cl","Cc1c(cccc1)Cl",{"$nulls":4},126.023627904,"?"]
[746,"ClC1=C(Cl)C=CC=C1","95-50-1","Clc1ccccc1Cl","Clc1c(cccc1)Cl",{"$nulls":4},145.969005488,"?"]
[747,"NC1=C(Cl)C=CC=C1","95-51-2","Nc1ccccc1Cl","Nc1c(cccc1)Cl",{"$nulls":4},127.01887687199999,"?"]
[748,"CC1=C(N)C=CC=C1","95-53-4","Cc1ccccc1N","Cc1c(cccc1)N",{"$nulls":4},107.073499288,"?"]
[749,"NC1=C(N)C=CC=C1","95-54-5","Nc1ccccc1N","Nc1c(cccc1)N",{"$nulls":4},108.06874825599999,"?"]
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[751,"OC1=CC=CC=C1Cl","95-57-8","Oc1ccccc1Cl","Oc1c(cccc1)Cl",{"$nulls":4},128.00289246,"?"]
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[765,"ClCC(Br)CBr","96-12-8","ClCC(Br)CBr","ClCC(Br)CBr",{"$nulls":4},233.84465204,"?"]
[766,"OCC(Br)CBr","96-13-9","OCC(Br)CBr","OCC(Br)CBr",{"$nulls":4},215.878539012,"?"]
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[768,"ClCC(Cl)CCl","96-18-4","ClCC(Cl)CCl","ClCC(Cl)CCl",{"$nulls":4},145.9456832,"?"]
[769,"CCC(N)CO","96-20-8","CCC(N)CO","CCC(N)CO",{"$nulls":4},89.084063972,"?"]
[770,"CCC(=O)CC","96-22-0","CCC(=O)CC","CCC(=O)CC",{"$nulls":4},86.07316494,"?"]
[771,"OC(CCl)CCl","96-23-1","OC(CCl)CCl","OC(CCl)CCl",{"$nulls":4},127.979570172,"?"]
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[773,"CCC(C)=NO","96-29-7","CCC(C)=NO","CCC(C)=NO",{"$nulls":4},87.068413908,"?"]
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[776,"CC1CCCC1","96-37-7","CC1CCCC1","CC1CCCC1",{"$nulls":4},84.093900384,"?"]
[777,"S=C1NCCN1","96-45-7","S=C1NCCN1","S=C1NCCN1",{"$nulls":4},102.02516919199999,"?"]
[778,"CC1CCCO1","96-47-9","CC1CCCO1","CC1OCCC1",{"$nulls":4},86.07316494,"?"]
[779,"O=C1CCCO1","96-48-0","O=C1CCCO1","O=C1OCCC1",{"$nulls":4},86.036779432,"?"]
[780,"O=C1OCCO1","96-49-1","O=C1OCCO1","O=C1OCCO1",{"$nulls":4},88.016043988,"?"]
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[1009,"COC(=O)CCC(=O)OC","106-65-0","COC(=O)CCC(=O)OC","COC(=O)CCC(=O)OC",{"$nulls":4},146.0579088,"?"]
[1010,"CCCCCC(=O)CC","106-68-3","CCCCCC(=O)CC","CCCCCC(=O)CC",{"$nulls":4},128.120115132,"?"]
[1011,"CCCCCC(=O)OC","106-70-7","CCCCCC(=O)OC","CCCCCC(=O)OC",{"$nulls":4},130.099379688,"?"]
[1012,"COC(=O)CCCCCCCCC(=O)OC","106-79-6","COC(=O)CCCCCCCCC(=O)OC","COC(=O)CCCCCCCCC(=O)OC",{"$nulls":4},230.151809184,"?"]
[1013,"CCC1CO1","106-88-7","CCC1CO1","CCC1OC1",{"$nulls":4},72.057514876,"?"]
[1014,"ClCC1CO1","106-89-8","ClCC1CO1","ClCC1OC1",{"$nulls":4},92.00289246,"?"]
[1015,"BrCCBr","106-93-4","BrCCBr","BrCCBr",{"$nulls":4},185.867974328,"?"]
[1016,"CCCBr","106-94-5","CCCBr","CCCBr",{"$nulls":4},121.973112324,"?"]
[1017,"BrCC=C","106-95-6","C=CCBr","C=CCBr",{"$nulls":4},119.95746226,"?"]
[1018,"BrCC#C","106-96-7","C#CCBr","C#CCBr",{"$nulls":4},117.941812196,"?"]
[1019,"CCCC","106-97-8","CCCC","CCCC",{"$nulls":4},58.078250319999995,"?"]
[1020,"CCC=C","106-98-9","C=CCC","C=CCC",{"$nulls":4},56.062600255999996,"?"]
[1021,"C=CC=C","106-99-0","C=CC=C","C=CC=C",{"$nulls":4},54.046950192,"?"]
[1022,"CCC#C","107-00-6","C#CCC","C#CCC",{"$nulls":4},54.046950192,"?"]
[1023,"C=CC=O","107-02-8","C=CC=O","C=CC=O",{"$nulls":4},56.026214748,"?"]
[1024,"CCCS","107-03-9","CCCS","CCCS",{"$nulls":4},76.034671256,"?"]
[1025,"ClCCBr","107-04-0","ClCCBr","ClCCBr",{"$nulls":4},141.918489908,"?"]
[1026,null,"107-05-1",{"$nulls":7},""]
[1027,"ClCCCl","107-06-2","ClCCCl","ClCCCl",{"$nulls":4},97.969005488,"?"]
[1028,"OCCCl","107-07-3","OCCCl","OCCCl",{"$nulls":4},80.00289246,"?"]
[1029,null,"107-08-4",{"$nulls":7},""]
[1030,"CCCN","107-10-8","CCCN","CCCN",{"$nulls":4},59.073499287999994,"?"]
[1031,"NCC=C","107-11-9","C=CCN","C=CCN",{"$nulls":4},57.057849223999995,"?"]
[1032,"CCC#N","107-12-0","CCC#N","CCC#N",{"$nulls":4},55.042199159999996,"?"]
[1033,"C=CC#N","107-13-1","C=CC#N","C=CC#N",{"$nulls":4},53.026549096,"?"]
[1034,"ClCC#N","107-14-2","N#CCCl","N#CCCl",{"$nulls":4},74.987576744,"?"]
[1035,"NCCN","107-15-3","NCCN","NCCN",{"$nulls":4},60.06874825599999,"?"]
[1036,"OCC=C","107-18-6","C=CCO","C=CCO",{"$nulls":4},58.041864812,"?"]
[1037,"OCC#C","107-19-7","C#CCO","C#CCO",{"$nulls":4},56.026214748,"?"]
[1038,"OCCO","107-21-1","OCCO","OCCO",{"$nulls":4},62.036779432,"?"]
[1039,"O=CC=O","107-22-2","O=CC=O","O=CC=O",{"$nulls":4},58.005479304000005,"?"]
[1040,"COC=C","107-25-5","C=COC","C=COC",{"$nulls":4},58.041864812,"?"]
[1041,"COC=O","107-31-3","COC=O","COC=O",{"$nulls":4},60.021129368000004,"?"]
[1042,"NCCS(O)(=O)=O","107-35-7","NCCS(=O)(=O)O","NCCS(=O)(=O)O",{"$nulls":4},125.014664084,"?"]
[1043,"OCCS(O)(=O)=O","107-36-8","O=S(=O)(O)CCO","O=S(=O)(O)CCO",{"$nulls":4},125.99867967200001,"?"]
[1044,"CC(O)CC(C)(C)O","107-41-5","CC(O)CC(C)(C)O","CC(O)CC(C)(C)O",{"$nulls":4},118.099379688,"?"]
[1045,"C[N+](C)(C)CC([O-])=O","107-43-7","C[N+](C)(C)CC(=O)[O-]","C[N+](C)(C)CC(=O)O",{"$nulls":4},117.078978592,"Structure has been neutralized"]
[1046,"CC(C)OP(C)(F)=O","107-44-8","CC(C)OP(C)(=O)F","CC(C)OP(C)(=O)F",{"$nulls":4},140.04024440999999,"?"]
[1047,"C[Si](C)(C)O[Si](C)(C)C","107-46-0","C[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)C",{"$nulls":4},162.089618256,"?"]
[1048,"CCOP(=O)(OCC)OP(=O)(OCC)OCC","107-49-3","CCOP(=O)(OCC)OP(=O)(OCC)OCC","CCOP(=O)(OCC)OP(=O)(OCC)OCC",{"$nulls":4},290.0684262400006,"?"]
[1049,"C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","107-51-7","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C",{"$nulls":4},236.10840959799998,"?"]
[1050,"CCCCOP(O)(=O)OCCCC","107-66-4","CCCCOP(=O)(O)OCCCC","CCCCOP(=O)(O)OCCCC",{"$nulls":4},210.102095718,"?"]
[1051,"NC(=O)OCC(Cl)(Cl)Cl","107-69-7","NC(=O)OCC(Cl)(Cl)Cl","NC(=O)OCC(Cl)(Cl)Cl",{"$nulls":4},190.930761408,"?"]
[1052,"COC(C)(C)CC(C)=O","107-70-0","COC(C)(C)CC(C)=O","COC(C)(C)CC(C)=O",{"$nulls":4},130.099379688,"?"]
[1053,"CC(C)CCBr","107-82-4","CC(C)CCBr","CC(C)CCBr",{"$nulls":4},150.004412452,"?"]
[1054,"CCCC(C)C","107-83-5","CCCC(C)C","CCCC(C)C",{"$nulls":4},86.109550448,"?"]
[1055,"CCCC(C)=O","107-87-9","CCCC(C)=O","CCCC(C)=O",{"$nulls":4},86.07316494,"?"]
[1056,"CC(O)CCO","107-88-0","CC(O)CCO","CC(O)CCO",{"$nulls":4},90.06807956,"?"]
[1057,"CC(O)CC=O","107-89-1","CC(O)CC=O","CC(O)CC=O",{"$nulls":4},88.052429496,"?"]
[1058,"NC(=O)CC#N","107-91-5","N#CCC(N)=O","N#CCC(N)=O",{"$nulls":4},84.032362748,"?"]
[1059,"CCCC(O)=O","107-92-6","CCCC(=O)O","CCCC(=O)O",{"$nulls":4},88.052429496,"?"]
[1060,"CC=CC(O)=O","107-93-7","CC=CC(=O)O","CC=CC(=O)O",{"$nulls":4},86.036779432,"?"]
[1061,"NCCC(O)=O","107-95-9","NCCC(=O)O","NCCC(=O)O",{"$nulls":4},89.047678464,"?"]
[1062,"CNCC(O)=O","107-97-1","CNCC(=O)O","CNCC(=O)O",{"$nulls":4},89.047678464,"?"]
[1063,"COCC(C)O","107-98-2","COCC(C)O","COCC(C)O",{"$nulls":4},90.06807956,"?"]
[1064,"CN(C)CCO","108-01-0","CN(C)CCO","CN(C)CCO",{"$nulls":4},89.084063972,"?"]
[1065,"CCC[N+]([O-])=O","108-03-2","CCC[N+](=O)[O-]","CCC[N+](=O)[O-]",{"$nulls":4},89.047678464,"?"]
[1066,"CC(=O)OC=C","108-05-4","C=COC(C)=O","C=COC(C)=O",{"$nulls":4},86.036779432,"?"]
[1067,"CC(C)CC(C)C","108-08-7","CC(C)CC(C)C","CC(C)CC(C)C",{"$nulls":4},100.12520051199999,"?"]
[1068,"CC(C)CC(C)=O","108-10-1","CC(=O)CC(C)C","CC(=O)CC(C)C",{"$nulls":4},100.088815004,"?"]
[1069,"CC(C)CC(C)O","108-11-2","CC(C)CC(C)O","CC(C)CC(C)O",{"$nulls":4},102.104465068,"?"]
[1070,"NC(=O)CC(N)=O","108-13-4","NC(=O)CC(N)=O","NC(=O)CC(N)=O",{"$nulls":4},102.042927432,"?"]
[1071,"CC(C)NC(C)C","108-18-9","CC(C)NC(C)C","CC(C)NC(C)C",{"$nulls":4},101.12044947999999,"?"]
[1072,"NC(=O)NC(N)=O","108-19-0","NC(=O)NC(N)=O","NC(=O)NC(N)=O",{"$nulls":4},103.0381764,"?"]
[1073,"CC(C)OC(C)C","108-20-3","CC(C)OC(C)C","CC(C)OC(C)C",{"$nulls":4},102.104465068,"?"]
[1074,"CC(C)OC(C)=O","108-21-4","CC(=O)OC(C)C","CC(=O)OC(C)C",{"$nulls":4},102.06807956,"?"]
[1075,"CC(=O)OC(C)=O","108-24-7","CC(=O)OC(C)=O","CC(=O)OC(C)=O",{"$nulls":4},102.031694052,"?"]
[1076,"C=C1OC(=O)C=C1","108-28-1","C=C1C=CC(=O)O1","C=C1OC(C=C1)=O",{"$nulls":4},96.021129368,"?"]
[1077,"CC1COC(=O)O1","108-32-7","CC1COC(=O)O1","CC1OC(OC1)=O",{"$nulls":4},102.031694052,"?"]
[1078,"CCOP(=O)(OCC)OC1=NNC(C)=C1","108-34-9","CCOP(=O)(OCC)Oc1cc(C)[nH]n1","CCOP(=O)(OCC)Oc1n[nH]c(c1)C",{"$nulls":4},234.07694358999998,"?"]
[1079,"BrC1=CC(Br)=CC=C1","108-36-1","Brc1cccc(Br)c1","Brc1cc(ccc1)Br",{"$nulls":4},233.867974328,"?"]
[1080,"ClC1=CC(Br)=CC=C1","108-37-2","Clc1cccc(Br)c1","Clc1cc(ccc1)Br",{"$nulls":4},189.918489908,"?"]
[1081,"CC1=CC(C)=CC=C1","108-38-3","Cc1cccc(C)c1","Cc1cc(ccc1)C",{"$nulls":4},106.07825032,"?"]
[1082,"CC1=CC(O)=CC=C1","108-39-4","Cc1cccc(O)c1","Cc1cc(ccc1)O",{"$nulls":4},108.057514876,"?"]
[1083,"CC1=CC(Cl)=CC=C1","108-41-8","Cc1cccc(Cl)c1","Cc1cc(ccc1)Cl",{"$nulls":4},126.023627904,"?"]
[1084,"NC1=CC(Cl)=CC=C1","108-42-9","Nc1cccc(Cl)c1","Nc1cc(ccc1)Cl",{"$nulls":4},127.01887687199999,"?"]
[1085,"OC1=CC(Cl)=CC=C1","108-43-0","Oc1cccc(Cl)c1","Oc1cc(ccc1)Cl",{"$nulls":4},128.00289246,"?"]
[1086,"CC1=CC(N)=CC=C1","108-44-1","Cc1cccc(N)c1","Cc1cc(ccc1)N",{"$nulls":4},107.073499288,"?"]
[1087,"NC1=CC(N)=CC=C1","108-45-2","Nc1cccc(N)c1","Nc1cc(ccc1)N",{"$nulls":4},108.06874825599999,"?"]
[1088,"OC1=CC(O)=CC=C1","108-46-3","Oc1cccc(O)c1","Oc1cc(ccc1)O",{"$nulls":4},110.036779432,"?"]
[1089,"CC1=CC=NC(C)=C1","108-47-4","Cc1ccnc(C)c1","Cc1cc(ncc1)C",{"$nulls":4},107.073499288,"?"]
[1090,"CC1=CC=CC(C)=N1","108-48-5","Cc1cccc(C)n1","Cc1nc(ccc1)C",{"$nulls":4},107.073499288,"?"]
[1091,"CC(CCl)OC(C)CCl","108-60-1","[2H]CIP","[2H]CIP","CC(CCl)OC(C)CCl",{"$nulls":3},344.943880154,"Errors in neutralization"]
[1092,"CC1OC(C)OC(C)OC(C)O1","108-62-3","CC1OC(C)OC(C)OC(C)O1","CC1OC(OC(OC(O1)C)C)C",{"$nulls":4},176.104858992,"?"]
[1093,"CCOC(=O)CC(C)C","108-64-5","CCOC(=O)CC(C)C","CCOC(=O)CC(C)C",{"$nulls":4},130.099379688,"?"]
[1094,"COCC(C)OC(C)=O","108-65-6","COCC(C)OC(C)=O","COCC(C)OC(C)=O",{"$nulls":4},132.078644244,"?"]
[1095,"CC1=CC(C)=CC(C)=C1","108-67-8","Cc1cc(C)cc(C)c1","Cc1cc(cc(c1)C)C",{"$nulls":4},120.093900384,"?"]
[1096,"CC1=CC(O)=CC(C)=C1","108-68-9","Cc1cc(C)cc(O)c1","Cc1cc(cc(c1)C)O",{"$nulls":4},122.07316494,"?"]
[1097,"ClC1=CC(Cl)=CC(Cl)=C1","108-70-3","Clc1cc(Cl)cc(Cl)c1","Clc1cc(cc(c1)Cl)Cl",{"$nulls":4},179.930033136,"?"]
[1098,"OC1=CC(O)=CC(O)=C1","108-73-6","Oc1cc(O)cc(O)c1","Oc1cc(cc(c1)O)O",{"$nulls":4},126.031694052,"?"]
[1099,"CC1=CC(C)=NC(C)=C1","108-75-8","Cc1cc(C)nc(C)c1","Cc1cc(nc(c1)C)C",{"$nulls":4},121.08914935199999,"?"]
[1100,"NC1=NC(N)=NC(N)=N1","108-78-1","Nc1nc(N)nc(N)n1","Nc1nc(nc(n1)N)N",{"$nulls":4},126.06539419199999,"?"]
[1101,"OC1=NC(O)=NC(O)=N1","108-80-5","Oc1nc(O)nc(O)n1","Oc1nc(nc(n1)O)O",{"$nulls":4},129.017440956,"?"]
[1102,"CC(C)CC(O)CC(C)C","108-82-7","CC(C)CC(O)CC(C)C","CC(C)CC(O)CC(C)C",{"$nulls":4},144.15141526,"?"]
[1103,"CC(C)CC(=O)CC(C)C","108-83-8","CC(C)CC(=O)CC(C)C","CC(C)CC(=O)CC(C)C",{"$nulls":4},142.135765196,"?"]
[1104,"CC(C)CC(C)OC(C)=O","108-84-9","CC(=O)OC(C)CC(C)C","CC(=O)OC(C)CC(C)C",{"$nulls":4},144.115029752,"?"]
[1105,"BrC1CCCCC1","108-85-0","BrC1CCCCC1","BrC1CCCCC1",{"$nulls":4},162.004412452,"?"]
[1106,"BrC1=CC=CC=C1","108-86-1","Brc1ccccc1","Brc1ccccc1",{"$nulls":4},155.95746226,"?"]
[1107,"CC1CCCCC1","108-87-2","CC1CCCCC1","CC1CCCCC1",{"$nulls":4},98.109550448,"?"]
[1108,null,"108-88-3",{"$nulls":7},""]
[1109,"CC1=CC=NC=C1","108-89-4","Cc1ccncc1","Cc1ccncc1",{"$nulls":4},93.057849224,"?"]
[1110,"ClC1=CC=CC=C1","108-90-7","Clc1ccccc1","Clc1ccccc1",{"$nulls":4},112.00797784,"?"]
[1111,"NC1CCCCC1","108-91-8","NC1CCCCC1","NC1CCCCC1",{"$nulls":4},99.10479941599999,"?"]
[1112,"OC1CCCCC1","108-93-0","OC1CCCCC1","OC1CCCCC1",{"$nulls":4},100.088815004,"?"]
[1113,"O=C1CCCCC1","108-94-1","O=C1CCCCC1","O=C1CCCCC1",{"$nulls":4},98.07316494,"?"]
[1114,"OC1=CC=CC=C1","108-95-2","Oc1ccccc1","Oc1ccccc1",{"$nulls":4},94.041864812,"?"]
[1115,"SC1=CC=CC=C1","108-98-5","Sc1ccccc1","Sc1ccccc1",{"$nulls":4},110.019021192,"?"]
[1116,"CC1=CC=CN=C1","108-99-6","Cc1cccnc1","Cc1cnccc1",{"$nulls":4},93.057849224,"?"]
[1117,"OC1=CN=CC=C1","109-00-2","Oc1cccnc1","Oc1cnccc1",{"$nulls":4},95.03711378,"?"]
[1118,"CN1CCOCC1","109-02-4","CN1CCOCC1","CN1CCOCC1",{"$nulls":4},101.084063972,"?"]
[1119,"BrC1=CC=CC=N1","109-04-6","Brc1ccccn1","Brc1ncccc1",{"$nulls":4},156.952711228,"?"]
[1120,"CC1=NC=CC=C1","109-06-8","Cc1ccccn1","Cc1ncccc1",{"$nulls":4},93.057849224,"?"]
[1121,"CC1CNCCN1","109-07-9","CC1CNCCN1","CC1NCCNC1",{"$nulls":4},100.10004838399999,"?"]
[1122,"CC1=NC=CN=C1","109-08-0","Cc1cnccn1","Cc1nccnc1",{"$nulls":4},94.053098192,"?"]
[1123,"ClC1=NC=CC=C1","109-09-1","Clc1ccccn1","Clc1ncccc1",{"$nulls":4},113.003226808,"?"]
[1124,"CC(=C)C(=O)OCCOCCOCCOC(=O)C(C)=C","109-16-0","C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C","C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C",{"$nulls":4},286.14163842400063,"?"]
[1125,"CCCCOC(=O)CCC","109-21-7","CCCCOC(=O)CCC","CCCCOC(=O)CCC",{"$nulls":4},144.115029752,"?"]
[1126,"CCCCOC(=O)CCCCCCCCC(=O)OCCCC","109-43-3","CCCCOC(=O)CCCCCCCCC(=O)OCCCC","CCCCOC(=O)CCCCCCCCC(=O)OCCCC",{"$nulls":4},314.24570956800096,"?"]
[1127,"CCOCCOC(=O)CCCCC(=O)OCCOCC","109-44-4","CCOCCOC(=O)CCCCC(=O)OCCOCC","CCOCCOC(=O)CCCCC(=O)OCCOCC",{"$nulls":4},290.17293855200074,"?"]
[1128,"CCC#CC(C)O","109-50-2","CCC#CC(C)O","CCC#CC(C)O",{"$nulls":4},98.07316494,"?"]
[1129,"CCCCC(O)=O","109-52-4","CCCCC(=O)O","CCCCC(=O)O",{"$nulls":4},102.06807956,"?"]
[1130,"CC(C)COC=C","109-53-5","C=COCC(C)C","C=COCC(C)C",{"$nulls":4},100.088815004,"?"]
[1131,"CN(C)CCCCl","109-54-6","CN(C)CCCCl","CN(C)CCCCl",{"$nulls":4},121.06582706399999,"?"]
[1132,"CN(C)CCCN","109-55-7","CN(C)CCCN","CN(C)CCCN",{"$nulls":4},102.11569844799999,"?"]
[1133,"NC(=S)NCC=C","109-57-9","C=CCNC(N)=S","C=CCNC(N)=S",{"$nulls":4},116.04081925599999,"?"]
[1134,"CC(C)OCCO","109-59-1","CC(C)OCCO","CC(C)OCCO",{"$nulls":4},104.083729624,"?"]
[1135,"CCCOC(C)=O","109-60-4","CCCOC(C)=O","CCCOC(C)=O",{"$nulls":4},102.06807956,"?"]
[1136,"BrCCCBr","109-64-8","BrCCCBr","BrCCCBr",{"$nulls":4},199.883624392,"?"]
[1137,"CCCCBr","109-65-9","CCCCBr","CCCCBr",{"$nulls":4},135.988762388,"?"]
[1138,"CCCCC","109-66-0","CCCCC","CCCCC",{"$nulls":4},72.093900384,"?"]
[1139,"CCCC=C","109-67-1","C=CCCC","C=CCCC",{"$nulls":4},70.07825032,"?"]
[1140,"CCC=CC","109-68-2","CC=CCC","CC=CCC",{"$nulls":4},70.07825032,"?"]
[1141,"CCCCCl","109-69-3","CCCCCl","CCCCCl",{"$nulls":4},92.039277968,"?"]
[1142,"ClCCCBr","109-70-6","ClCCCBr","ClCCCBr",{"$nulls":4},155.934139972,"?"]
[1143,"CCCCN","109-73-9","CCCCN","CCCCN",{"$nulls":4},73.08914935199999,"?"]
[1144,"CCCC#N","109-74-0","CCCC#N","CCCC#N",{"$nulls":4},69.057849224,"?"]
[1145,"N#CCC#N","109-77-3","N#CCC#N","N#CCC#N",{"$nulls":4},66.021798064,"?"]
[1146,"OCCC#N","109-78-4","N#CCCO","N#CCCO",{"$nulls":4},71.03711378,"?"]
[1147,"CCCCS","109-79-5","CCCCS","CCCCS",{"$nulls":4},90.05032132,"?"]
[1148,"CNCCO","109-83-1","CNCCO","CNCCO",{"$nulls":4},75.068413908,"?"]
[1149,"NNCCO","109-84-2","NNCCO","NNCCO",{"$nulls":4},76.063662876,"?"]
[1150,"COCCO","109-86-4","COCCO","COCCO",{"$nulls":4},76.052429496,"?"]
[1151,"COCOC","109-87-5","COCOC","COCOC",{"$nulls":4},76.052429496,"?"]
[1152,"CCNCC","109-89-7","CCNCC","CCNCC",{"$nulls":4},73.08914935199999,"?"]
[1153,"CCOC=C","109-92-2","C=COCC","C=COCC",{"$nulls":4},72.057514876,"?"]
[1154,"C=COC=C","109-93-3","C=COC=C","C=COC=C",{"$nulls":4},70.041864812,"?"]
[1155,"CCOC=O","109-94-4","CCOC=O","CCOC=O",{"$nulls":4},74.036779432,"?"]
[1156,"N1C=CC=C1","109-97-7","c1cc[nH]c1","c1c[nH]cc1",{"$nulls":4},67.04219916,"?"]
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[1301,"NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CN=C1","116-44-9","Nc1ccc(S(=O)(=O)Nc2cnccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nccnc2",{"$nulls":4},250.05244656,"?"]
[1302,"NC1=CC=C(C=C1)S(=O)(=O)NC#N","116-47-2","N#CNS(=O)(=O)c1ccc(N)cc1","N#CNS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},197.025897464,"?"]
[1303,"CCC(C)C(O)=O","116-53-0","CCC(C)C(=O)O","CCC(C)C(=O)O",{"$nulls":4},102.06807956,"?"]
[1304,"NC1=CC=C(O)C2=C1C(=O)C1=CC=CC=C1C2=O","116-85-8","Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O","Nc1c2c(c(cc1)O)C(c3c(C2=O)cccc3)=O",{"$nulls":4},239.058243148,"?"]
[1305,"OS(=O)(=O)C1=CC=CC2=C1C(=O)C1=CC=CC(=C1C2=O)S(O)(=O)=O","117-14-6","O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2cccc(S(=O)(=O)O)c21","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)cccc2S(=O)(=O)O",{"$nulls":4},367.96605921600013,"?"]
[1306,"[O-][N+](=O)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","117-18-0","O=[N+]([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl","O=[N+]([O-])c1c(c(cc(c1Cl)Cl)Cl)Cl",{"$nulls":4},258.87613899200005,"?"]
[1307,"OC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1","117-34-0","O=C(O)C(c1ccccc1)c1ccccc1","O=C(O)C(c1ccccc1)c2ccccc2",{"$nulls":4},212.083729624,"?"]
[1308,"OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1","117-39-5","O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12","O=c1c2c(oc(c1O)-c3cc(c(cc3)O)O)cc(O)cc2O",{"$nulls":4},302.0426526600003,"?"]
[1309,"NC1=CC=C2C(=O)C3=C(C=CC=C3)C(=O)C2=C1","117-79-3","Nc1ccc2c(c1)C(=O)c1ccccc1C2=O","Nc1cc2c(cc1)C(c3c(C2=O)cccc3)=O",{"$nulls":4},223.063328528,"?"]
[1310,"ClC1=C(Cl)C(=O)C2=C(C=CC=C2)C1=O","117-80-6","O=C1C(Cl)=C(Cl)C(=O)c2ccccc21","O=C1c2c(C(C(=C1Cl)Cl)=O)cccc2",{"$nulls":4},225.958834728,"?"]
[1311,null,"117-81-7",{"$nulls":7},""]
[1312,"COCCOC(=O)C1=C(C=CC=C1)C(=O)OCCOC","117-82-8","COCCOC(=O)c1ccccc1C(=O)OCCOC","COCCOC(=O)c1c(cccc1)C(=O)OCCOC",{"$nulls":4},282.1103382960005,"?"]
[1313,"CCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC","117-84-0","CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC","CCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC",{"$nulls":4},390.2770096960011,"?"]
[1314,"CN1CCN(CCCN2C3=C(SC4=C2C=C(C=C4)C(F)(F)F)C=CC=C3)CC1","117-89-5","CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1","CN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3",{"$nulls":4},407.16430342800066,"?"]
[1315,"NC1=NC(=O)C2=C(N1)N(C=N2)[CH]1O[CH](CO)[CH](O)[CH]1O","118-00-3","Nc1nc(=O)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1","Nc1[nH]c2c(c(n1)=O)ncn2C3C(C(C(O3)CO)O)O",{"$nulls":4},283.09166851600037,"?"]
[1316,"COC1=C(OC)C2=C(C=C1)[CH](OC2=O)[CH]1N(C)CCC2=C1C=C1OCOC1=C2","118-08-1","COc1ccc2c(c1OC)C(=O)OC2C1c2cc3c(cc2CCN1C)OCO3","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3cc5OCOc5c4)C)OC",{"$nulls":4},383.1368873920005,"?"]
[1317,"O[CH]([CH]1CC2CCN1C[CH]2C=C)C1=CC=NC2=C1C=CC=C2","118-10-5","C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",{"$nulls":4},294.1732133240006,"?"]
[1318,"NC1=CC2=CC(=CC(=C2C=C1)S(O)(=O)=O)S(O)(=O)=O","118-33-2","Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1","Nc1cc2c(cc1)c(S(=O)(=O)O)cc(S(=O)(=O)O)c2",{"$nulls":4},302.9871290080002,"?"]
[1319,"CCNC1=CC=CC2=CC=CC=C12","118-44-5","CCNc1cccc2ccccc12","CCNc1c2c(ccc1)cccc2",{"$nulls":4},171.104799416,"?"]
[1320,"CC1(C)N(Cl)C(=O)N(Cl)C1=O","118-52-5","CC1(C)C(=O)N(Cl)C(=O)N1Cl","CC1(N(C(N(C1=O)Cl)=O)Cl)C",{"$nulls":4},195.980632792,"?"]
[1321,"OC1=C(C=CC=C1)C(=O)OC1=CC=CC=C1","118-55-8","O=C(Oc1ccccc1)c1ccccc1O","O=C(Oc1ccccc1)c2c(cccc2)O",{"$nulls":4},214.06299418,"?"]
[1322,"CC1=C(O)C(=O)C=CO1","118-71-8","Cc1occc(=O)c1O","Cc1c(c(cco1)=O)O",{"$nulls":4},126.031694052,"?"]
[1323,"ClC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","118-74-1","Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},281.81311608,"?"]
[1324,"ClC1=C(Cl)C(=O)C(Cl)=C(Cl)C1=O","118-75-2","O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl","O=C1C(=C(C(C(=C1Cl)Cl)=O)Cl)Cl",{"$nulls":4},243.86523996,"?"]
[1325,"OC1=C(Br)C=C(Br)C=C1Br","118-79-6","Oc1c(Br)cc(Br)cc1Br","Oc1c(cc(cc1Br)Br)Br",{"$nulls":4},327.7734010160001,"?"]
[1326,"[O-][N+](=O)C1=C(C=C(Cl)C=C1)C(F)(F)F","118-83-2","O=[N+]([O-])c1ccc(Cl)cc1C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)Cl)C(F)(F)F",{"$nulls":4},224.980440676,"?"]
[1327,"CC1=C(C=CC=C1)C(O)=O","118-90-1","Cc1ccccc1C(=O)O","Cc1c(cccc1)C(=O)O",{"$nulls":4},136.052429496,"?"]
[1328,"OC(=O)C1=CC=CC=C1Cl","118-91-2","O=C(O)c1ccccc1Cl","O=C(O)c1c(cccc1)Cl",{"$nulls":4},155.99780708,"?"]
[1329,"NC1=C(C=CC=C1)C(O)=O","118-92-3","Nc1ccccc1C(=O)O","Nc1c(cccc1)C(=O)O",{"$nulls":4},137.047678464,"?"]
[1330,"CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","118-96-7","Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},227.01783488,"?"]
[1331,"CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C1=CC=CC=C1","119-12-0","CCOP(=S)(OCC)Oc1ccc(=O)n(-c2ccccc2)n1","CCOP(=S)(OCC)Oc1nn(c(cc1)=O)-c2ccccc2",{"$nulls":4},340.06466465400047,"?"]
[1332,"OC1=CC=C(NC2=CC=C(C=C2[N+]([O-])=O)[N+]([O-])=O)C=C1","119-15-3","O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)Nc2ccc(cc2)O)[N+](=O)[O-]",{"$nulls":4},275.05422038800026,"?"]
[1333,"OC1=C2C=C(NC3=CC=CC=C3)C=CC2=CC(=C1)S(O)(=O)=O","119-19-7","O=S(=O)(O)c1cc(O)c2cc(Nc3ccccc3)ccc2c1","O=S(=O)(O)c1cc2c(c(c1)O)cc(Nc3ccccc3)cc2",{"$nulls":4},315.0565288960003,"?"]
[1334,"COC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O","119-27-7","COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},198.027671292,"?"]
[1335,"CC1=CC(=C(O)C=C1)[N+]([O-])=O","119-33-5","Cc1ccc(O)c([N+](=O)[O-])c1","Cc1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},153.042593084,"?"]
[1336,"COC(=O)C1=C(O)C=CC=C1","119-36-8","COC(=O)c1ccccc1O","COC(=O)c1c(cccc1)O",{"$nulls":4},152.047344116,"?"]
[1337,"CC(C)N1N=C(C)C=C1OC(=O)N(C)C","119-38-0","Cc1cc(OC(=O)N(C)C)n(C(C)C)n1","Cc1nn(c(c1)OC(=O)N(C)C)C(C)C",{"$nulls":4},211.132076784,"?"]
[1338,"CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C","119-47-1","Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1","Cc1cc(c(c(c1)Cc2c(c(cc(c2)C)C(C)(C)C)O)O)C(C)(C)C","BIS",{"$nulls":3},513.1495547600009,"?"]
[1339,"CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1","119-48-2","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2",{"$nulls":4},398.289305696001,"?"]
[1340,"OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1","119-53-9","O=C(c1ccccc1)C(O)c1ccccc1","O=C(c1ccccc1)C(O)c2ccccc2",{"$nulls":4},212.083729624,"?"]
[1341,"OC(C1=CC=CC=C1)C1=CC=C(Cl)C=C1","119-56-2","OC(c1ccccc1)c1ccc(Cl)cc1","OC(c1ccccc1)c2ccc(cc2)Cl",{"$nulls":4},218.049842652,"?"]
[1342,"O=C(C1=CC=CC=C1)C1=CC=CC=C1","119-61-9","O=C(c1ccccc1)c1ccccc1","O=C(c1ccccc1)c2ccccc2",{"$nulls":4},182.07316494,"?"]
[1343,"C1CCC2=C(C1)C=CC=C2","119-64-2","c1ccc2c(c1)CCCC2","c1cc2c(cc1)CCCC2",{"$nulls":4},132.093900384,"?"]
[1344,"C1=CC2=C(C=C1)C=NC=C2","119-65-3","c1ccc2cnccc2c1","c1cc2c(cc1)cncc2",{"$nulls":4},129.057849224,"?"]
[1345,"CNC1=C(C=CC=C1)C(O)=O","119-68-6","CNc1ccccc1C(=O)O","CNc1c(cccc1)C(=O)O",{"$nulls":4},151.063328528,"?"]
[1346,"O=C1CCC2=C(O1)C=CC=C2","119-84-6","O=C1CCc2ccccc2O1","O=C1Oc2c(CC1)cccc2",{"$nulls":4},148.052429496,"?"]
[1347,"COC1=CC(=CC=C1N)C1=CC(OC)=C(N)C=C1","119-90-4","COc1cc(-c2ccc(N)c(OC)c2)ccc1N","COc1c(ccc(c1)-c2cc(c(cc2)N)OC)N",{"$nulls":4},244.121177752,"?"]
[1348,"C1=CC2=CC=C(N=C2C=C1)C1=CC=C2C=CC=CC2=N1","119-91-5","c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1","c1cc2c(cc1)nc(-c3nc4c(cc3)cccc4)cc2",{"$nulls":4},256.100048384,"?"]
[1349,"CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1","119-93-7","Cc1cc(-c2ccc(N)c(C)c2)ccc1N","Cc1c(ccc(c1)-c2cc(c(cc2)N)C)N",{"$nulls":4},212.131348512,"?"]
[1350,"OCCN(CCO)C1=CC=CC=C1","120-07-0","OCCN(CCO)c1ccccc1","OCCN(CCO)c1ccccc1",{"$nulls":4},181.11027872,"?"]
[1351,"C1=CC2=CC3=C(C=CC=C3)C=C2C=C1","120-12-7","c1ccc2cc3ccccc3cc2c1","c1cc2c(cc1)cc3c(cccc3)c2",{"$nulls":4},178.07825032,"?"]
[1352,"COC1=CC=C(C=O)C=C1OC","120-14-9","COc1ccc(C=O)cc1OC","COc1c(cc(cc1)C=O)OC",{"$nulls":4},166.06299418,"?"]
[1353,"OS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1","120-18-3","O=S(=O)(O)c1ccc2ccccc2c1","O=S(=O)(O)c1cc2c(cc1)cccc2",{"$nulls":4},208.019415116,"?"]
[1354,"CCOC1=CC=C(C=O)C=C1OC","120-25-2","CCOc1ccc(C=O)cc1OC","CCOc1c(cc(cc1)C=O)OC",{"$nulls":4},180.078644244,"?"]
[1355,"OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1","120-32-1","Oc1ccc(Cl)cc1Cc1ccccc1","Oc1c(cc(cc1)Cl)Cc2ccccc2",{"$nulls":4},218.049842652,"?"]
[1356,"CC(OC1=C(Cl)C=C(Cl)C=C1)C(O)=O","120-36-5","CC(Oc1ccc(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O",{"$nulls":4},233.985049476,"?"]
[1357,"CCOC(=O)C1=CC=C(O)C=C1","120-47-8","CCOC(=O)c1ccc(O)cc1","CCOC(=O)c1ccc(cc1)O",{"$nulls":4},166.06299418,"?"]
[1358,"O=CC1=CC=C2OCOC2=C1","120-57-0","O=Cc1ccc2c(c1)OCO2","O=Cc1cc2c(cc1)OCO2",{"$nulls":4},150.031694052,"?"]
[1359,"COC(=O)C1=CC=C(C=C1)C(=O)OC","120-61-6","COC(=O)c1ccc(C(=O)OC)cc1","COC(=O)c1ccc(cc1)C(=O)OC",{"$nulls":4},194.0579088,"?"]
[1360,"N1C=CC2=C1C=CC=C2","120-72-9","c1ccc2[nH]ccc2c1","c1cc2c(cc1)[nH]cc2",{"$nulls":4},117.057849224,"?"]
[1361,"N1C=NC2=CN=CN=C12","120-73-0","c1ncc2nc[nH]c2n1","c1nc2c(cn1)nc[nH]2",{"$nulls":4},120.04359612799999,"?"]
[1362,"S(SC1=NC2=C(S1)C=CC=C2)C1=NC2=C(S1)C=CC=C2","120-78-5","c1ccc2sc(SSc3nc4ccccc4s3)nc2c1","c1cc2c(cc1)sc(SSc3sc4c(n3)cccc4)n2",{"$nulls":4},331.9570322560002,"?"]
[1363,"OC1=C(O)C=CC=C1","120-80-9","Oc1ccccc1O","Oc1c(cccc1)O",{"$nulls":4},110.036779432,"?"]
[1364,"ClC1=CC(Cl)=C(Cl)C=C1","120-82-1","Clc1ccc(Cl)c(Cl)c1","Clc1cc(c(cc1)Cl)Cl",{"$nulls":4},179.930033136,"?"]
[1365,"OC1=C(Cl)C=C(Cl)C=C1","120-83-2","Oc1ccc(Cl)cc1Cl","Oc1c(cc(cc1)Cl)Cl",{"$nulls":4},161.963920108,"?"]
[1366,"O=C1NC(=O)C(=O)N1","120-89-8","O=C1NC(=O)C(=O)N1","O=C1NC(C(N1)=O)=O",{"$nulls":4},114.006541924,"?"]
[1367,"CC1=CC=C(C=C1S(O)(=O)=O)[N+]([O-])=O","121-03-9","Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)O",{"$nulls":4},217.004493324,"?"]
[1368,"CC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O","121-14-2","Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},182.032756672,"?"]
[1369,"CC(C)=C[CH]1[CH](C(=O)O[CH]2CC(=O)C(CC=CC=C)=C2C)C1(C)C","121-21-1","C=CC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",{"$nulls":4},328.20384475600076,"?"]
[1370,"COC(=O)C(C)=C[CH]1[CH](C(=O)O[CH]2CC(=O)C(CC=CC=C)=C2C)C1(C)C","121-29-9","C=CC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C(=O)OC)C2(C)C)CC1=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C(=O)OC)(C)C)=O",{"$nulls":4},372.1936739960008,"?"]
[1371,"CCOC1=C(O)C=CC(C=O)=C1","121-32-4","CCOc1cc(C=O)ccc1O","CCOc1c(ccc(c1)C=O)O",{"$nulls":4},166.06299418,"?"]
[1372,"COC1=C(O)C=CC(C=O)=C1","121-33-5","COc1cc(C=O)ccc1O","COc1c(ccc(c1)C=O)O",{"$nulls":4},152.047344116,"?"]
[1373,"COC1=CC(=CC=C1O)C(O)=O","121-34-6","COc1cc(C(=O)O)ccc1O","COc1c(ccc(c1)C(=O)O)O",{"$nulls":4},168.042258736,"?"]
[1374,"CCN(CC)CC","121-44-8","CCN(CC)CC","CCN(CC)CC",{"$nulls":4},101.12044947999999,"?"]
[1375,"NC1=CC=C(C=C1)S(O)(=O)=O","121-57-3","Nc1ccc(S(=O)(=O)O)cc1","Nc1ccc(cc1)S(=O)(=O)O",{"$nulls":4},173.014664084,"?"]
[1376,"CC(=O)NC1=CC=C(C=C1)S(N)(=O)=O","121-61-9","CC(=O)Nc1ccc(S(N)(=O)=O)cc1","CC(=O)Nc1ccc(cc1)S(N)(=O)=O",{"$nulls":4},214.04121318,"?"]
[1377,"CN(C)C1=CC=CC=C1","121-69-7","CN(C)c1ccccc1","CN(C)c1ccccc1",{"$nulls":4},121.08914935199999,"?"]
[1378,"[O-][N+](=O)C1=CC=CC(Cl)=C1","121-73-3","O=[N+]([O-])c1cccc(Cl)c1","O=[N+]([O-])c1cc(ccc1)Cl",{"$nulls":4},156.993056048,"?"]
[1379,null,"121-75-5",{"$nulls":7},""]
[1380,"CCCOC(=O)C1=CC(O)=C(O)C(O)=C1","121-79-9","CCCOC(=O)c1cc(O)c(O)c(O)c1","CCCOC(=O)c1cc(c(c(c1)O)O)O",{"$nulls":4},212.068473484,"?"]
[1381,"[O-][N+](=O)N1CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O","121-82-4","O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])C1","O=[N+]([O-])N1CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},222.034881912,"?"]
[1382,"OC(=O)C1=CC(=CC=C1)C(O)=O","121-91-5","O=C(O)c1cccc(C(=O)O)c1","O=C(O)c1cc(ccc1)C(=O)O",{"$nulls":4},166.026608672,"?"]
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[1486,"CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C","128-37-0","Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1","Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C",{"$nulls":4},220.182715388,"?"]
[1487,"CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C","128-39-2","CC(C)(C)c1cccc(C(C)(C)C)c1O","CC(C)(C)c1c(c(ccc1)C(C)(C)C)O",{"$nulls":4},206.167065324,"?"]
[1488,"COC1=CC=C2[CH](OC(=O)C2=C1OC)[CH]1N(C)CCC2=C1C(OC)=C1OCOC1=C2","128-62-1","COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC",{"$nulls":4},413.14745207600055,"?"]
[1489,"C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1","129-00-0","c1cc2ccc3cccc4ccc(c1)c2c34","c1cc2ccc3cccc4ccc(c1)c2c43",{"$nulls":4},202.07825032,"?"]
[1490,"CCCCC1C(=O)N(N(C1=O)C1=CC=C(O)C=C1)C1=CC=CC=C1","129-20-4","CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccc(cc3)O)=O",{"$nulls":4},324.1473925000006,"?"]
[1491,"OC1=C2C(=O)C3=C(C=CC=C3)C(=O)C2=CC=C1","129-43-1","O=C1c2ccccc2C(=O)c2c(O)cccc21","O=C1c2c(C(c3c1cccc3)=O)c(O)ccc2",{"$nulls":4},224.047344116,"?"]
[1492,null,"129-66-8",{"$nulls":7},""]
[1493,"CN1N(C(=O)C(I)=C1C)C1=CC=CC=C1","129-81-7","Cc1c(I)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1I)=O)-c2ccccc2)C",{"$nulls":4},313.99161097200033,"?"]
[1494,"OC1=CC=C(Cl)C2=CC=CN=C12","130-16-5","Oc1ccc(Cl)c2cccnc12","Oc1c2c(c(cc1)Cl)cccn2",{"$nulls":4},179.013791492,"?"]
[1495,"[H][C]1(C[CH]2CC[N]1C[CH]2C=C)[CH](O)C1=CC=NC2=CC=C(OC)C=C12","130-95-0","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",{"$nulls":4},324.1837780080006,"?"]
[1496,"COC(=O)C1=C(C=CC=C1)C(=O)OC","131-11-3","COC(=O)c1ccccc1C(=O)OC","COC(=O)c1c(cccc1)C(=O)OC",{"$nulls":4},194.0579088,"?"]
[1497,"CCCOC(=O)C1=C(C=CC=C1)C(=O)OCCC","131-16-8","CCCOC(=O)c1ccccc1C(=O)OCCC","CCCOC(=O)c1c(cccc1)C(=O)OCCC",{"$nulls":4},250.120509056,"?"]
[1498,"C=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C","131-17-9","C=CCOC(=O)c1ccccc1C(=O)OCC=C","C=CCOC(=O)c1c(cccc1)C(=O)OCC=C",{"$nulls":4},246.089208928,"?"]
[1499,"COC1=C(OC)C(C(O)=O)=C(C=C1)C(=O)CC1=C(OC)C2=C(OCO2)C=C1CCN(C)C","131-28-2","COc1ccc(C(=O)Cc2c(CCN(C)C)cc3c(c2OC)OCO3)c(C(=O)O)c1OC","COc1c(c(c(cc1)C(=O)Cc2c(c3c(cc2CCN(C)C)OCO3)OC)C(=O)O)OC",{"$nulls":4},445.17366682400075,"?"]
[1500,"OC1=C(C=C(C=C1C1CCCCC1)[N+]([O-])=O)[N+]([O-])=O","131-89-5","O=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)C2CCCCC2)O)[N+](=O)[O-]",{"$nulls":4},266.0902715480003,"?"]
[1501,"OC1=CC=C2C=CC=CC2=C1N=O","131-91-9","O=Nc1c(O)ccc2ccccc12","O=Nc1c2c(ccc1O)cccc2",{"$nulls":4},173.047678464,"?"]
[1502,"CN(C)CCC(C1=CC=C(Cl)C=C1)C1=NC=CC=C1","132-22-9","CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1","CN(C)CCC(c1ccc(cc1)Cl)c2ncccc2",{"$nulls":4},274.12367628800047,"?"]
[1503,"OC1=C2C=CC=CC2=CC=C1N=O","132-53-6","O=Nc1ccc2ccccc2c1O","O=Nc1c(c2c(cc1)cccc2)O",{"$nulls":4},173.047678464,"?"]
[1504,"OC(=O)C1=C2C=CC=CC2=NC(=C1)C1=CC=CC=C1","132-60-5","O=C(O)c1cc(-c2ccccc2)nc2ccccc12","O=C(O)c1c2c(nc(c1)-c3ccccc3)cccc2",{"$nulls":4},249.078978592,"?"]
[1505,"O1C2=CC=CC=C2C2=C1C=CC=C2","132-64-9","c1ccc2c(c1)oc1ccccc12","c1cc2c(cc1)c3c(o2)cccc3",{"$nulls":4},168.057514876,"?"]
[1506,"S1C2=C(C=CC=C2)C2=C1C=CC=C2","132-65-0","c1ccc2c(c1)sc1ccccc12","c1cc2c(cc1)c3c(s2)cccc3",{"$nulls":4},184.034671256,"?"]
[1507,"OC(=O)C1=C(C=CC=C1)C(=O)NC1=CC=CC2=C1C=CC=C2","132-66-1","O=C(O)c1ccccc1C(=O)Nc1cccc2ccccc12","O=C(O)c1c(cccc1)C(=O)Nc2c3c(ccc2)cccc3",{"$nulls":4},291.08954327600037,"?"]
[1508,"OC1=CC(O)=C2C=CC=CC2=C1","132-86-5","Oc1cc(O)c2ccccc2c1","Oc1cc2c(c(c1)O)cccc2",{"$nulls":4},160.052429496,"?"]
[1509,"ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O","133-06-2","O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)Cl",{"$nulls":4},298.93413253600016,"?"]
[1510,"ClC(Cl)(Cl)SN1C(=O)C2=C(C=CC=C2)C1=O","133-07-3","O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl","O=C1N(C(c2c1cccc2)=O)SC(Cl)(Cl)Cl",{"$nulls":4},294.90283240800005,"?"]
[1511,"NC1=CC(O)=C(C=C1)C(=O)OC1=CC=CC=C1","133-11-9","Nc1ccc(C(=O)Oc2ccccc2)c(O)c1","Nc1cc(c(cc1)C(=O)Oc2ccccc2)O",{"$nulls":4},229.073893212,"?"]
[1512,"OC(=O)CCCC1=CNC2=C1C=CC=C2","133-32-4","O=C(O)CCCc1c[nH]c2ccccc12","O=C(O)CCCc1c2c([nH]c1)cccc2",{"$nulls":4},203.094628656,"?"]
[1513,"OC(C(O)C(O)=O)C(O)=O","133-37-9","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",{"$nulls":4},150.01643791200001,"?"]
[1514,null,"133-38-0",{"$nulls":7},""]
[1515,"CC1=CC(O)=C(Cl)C(C)=C1Cl","133-53-9","Cc1cc(O)c(Cl)c(C)c1Cl","Cc1c(c(c(c(c1)O)Cl)C)Cl",{"$nulls":4},189.995220236,"?"]
[1516,"NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl","133-67-5","NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)C(Cl)Cl)(=O)=O)Cl",{"$nulls":4},378.9021807760002,"?"]
[1517,"NC1=C(Cl)C(=CC(Cl)=C1)C(O)=O","133-90-4","Nc1cc(Cl)cc(C(=O)O)c1Cl","Nc1c(c(cc(c1)Cl)C(=O)O)Cl",{"$nulls":4},204.96973376,"?"]
[1518,"OC(=O)C1=C(O)C(I)=CC(I)=C1","133-91-5","O=C(O)c1cc(I)cc(I)c1O","O=C(O)c1c(c(cc(c1)I)I)O",{"$nulls":4},389.8249899880001,"?"]
[1519,"COC(=O)C1=C(N)C=CC=C1","134-20-3","COC(=O)c1ccccc1N","COC(=O)c1c(cccc1)N",{"$nulls":4},151.063328528,"?"]
[1520,"NC1=CC=CC2=C1C=CC=C2","134-32-7","Nc1cccc2ccccc12","Nc1c2c(ccc1)cccc2",{"$nulls":4},143.073499288,"?"]
[1521,null,"134-55-4",{"$nulls":7},""]
[1522,"CCC1=CC=CC=C1CC","135-01-3","CCc1ccccc1CC","CCc1c(cccc1)CC",{"$nulls":4},134.109550448,"?"]
[1523,"NS(=O)(=O)C1=C(C=C2NCNS(=O)(=O)C2=C1)C(F)(F)F","135-09-1","NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)C(F)(F)F",{"$nulls":4},330.9908323960002,"?"]
[1524,"OC1=CC2=C(C=CC=C2)C=C1","135-19-3","Oc1ccc2ccccc2c1","Oc1cc2c(cc1)cccc2",{"$nulls":4},144.057514876,"?"]
[1525,"NC1=CC=C(C=C1)C1=CC=C(Cl)C=C1","135-68-2","Nc1ccc(-c2ccc(Cl)cc2)cc1","Nc1ccc(cc1)-c2ccc(cc2)Cl",{"$nulls":4},203.050177,"?"]
[1526,"CCC(C)C1=CC=CC=C1","135-98-8","CCC(C)c1ccccc1","CCC(C)c1ccccc1",{"$nulls":4},134.109550448,"?"]
[1527,"N(N=NC1=CC=CC=C1)C1=CC=CC=C1","136-35-6","c1ccc(N=NNc2ccccc2)cc1","c1ccc(cc1)N=NNc2ccccc2",{"$nulls":4},197.095297352,"?"]
[1528,"CCCCOC(=O)C1=CC=CC=C1","136-60-7","CCCCOC(=O)c1ccccc1","CCCCOC(=O)c1ccccc1",{"$nulls":4},178.099379688,"?"]
[1529,"CCCCCCC1=C(O)C=C(O)C=C1","136-77-6","CCCCCCc1ccc(O)cc1O","CCCCCCc1c(cc(cc1)O)O",{"$nulls":4},194.130679816,"?"]
[1530,null,"136-79-8",{"$nulls":7},""]
[1531,"CC1=CC(C)=C(N)C=C1C","137-17-7","Cc1cc(C)c(N)cc1C","Cc1c(cc(c(c1)C)N)C",{"$nulls":4},135.104799416,"?"]
[1532,"CCC(C)CO","137-32-6","CCC(C)CO","CCC(C)CO",{"$nulls":4},88.088815004,"?"]
[1533,"[Na+].CCC([O-])=O","137-40-6","CCC(=O)[O-]","CCC(=O)O","[Na+]",{"$nulls":3},96.01872368000001,"Structure has been neutralized"]
[1534,"[Na+].CNC([S-])=S","137-42-8","CNC(=S)[S-]","CNC(=S)S","[Na+]",{"$nulls":3},128.96828540799999,"Structure has been neutralized"]
[1535,"CCN(CC)CC(=O)NC1=C(C)C=CC=C1C","137-58-6","CCN(CC)CC(=O)Nc1c(C)cccc1C","CCN(CC)CC(=O)Nc1c(cccc1C)C",{"$nulls":4},234.173213324,"?"]
[1536,"Cl.N[CH](CCC(O)=O)C(O)=O","138-15-8","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","Cl",{"$nulls":3},183.02983548,"?"]
[1537,"CCCCOC(=O)C(C)O","138-22-7","CCCCOC(=O)C(C)O","CCCCOC(=O)C(C)O",{"$nulls":4},146.094294308,"?"]
[1538,"NNC1=CC(=CC=C1)S(O)(=O)=O","138-30-7","NNc1cccc(S(=O)(=O)O)c1","NNc1cc(ccc1)S(=O)(=O)O",{"$nulls":4},188.025563116,"?"]
[1539,"NCC1=CC=C(C=C1)S(N)(=O)=O","138-39-6","NCc1ccc(S(N)(=O)=O)cc1","NCc1ccc(cc1)S(N)(=O)=O",{"$nulls":4},186.04629856,"?"]
[1540,"OC[CH]1O[CH](OC2=C(CO)C=CC=C2)[CH](O)[CH](O)[CH]1O","138-52-3","OCc1ccccc1OC1OC(CO)C(O)C(O)C1O","OCc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",{"$nulls":4},286.1052529160005,"?"]
[1541,"O[CH]1CC(=C[CH](O)[CH]1O)C(O)=O","138-59-0","O=C(O)C1=CC(O)C(O)C(O)C1","O=C(O)C=1CC(C(C(C1)O)O)O",{"$nulls":4},174.05282342,"?"]
[1542,"CC(=C)C1CCC(C)=CC1","138-86-3","C=C(C)C1CC=C(C)CC1","C=C(C)C1CCC(=CC1)C",{"$nulls":4},136.125200512,"?"]
[1543,"CC(=C)C1CCC(C)(O)CC1","138-87-4","C=C(C)C1CCC(C)(O)CC1","C=C(C)C1CCC(CC1)(C)O",{"$nulls":4},154.135765196,"?"]
[1544,"OC(=O)CN(CC(O)=O)CC(O)=O","139-13-9","O=C(O)CN(CC(=O)O)CC(=O)O","O=C(O)CN(CC(=O)O)CC(=O)O",{"$nulls":4},191.042987008,"?"]
[1545,"CC(C)NC1=NC(NC(C)C)=NC(Cl)=N1","139-40-2","CC(C)Nc1nc(Cl)nc(NC(C)C)n1","CC(C)Nc1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},229.10942319199998,"?"]
[1546,"CCC(=O)OCC(COC(=O)CC)OC(=O)CC","139-45-7","CCC(=O)OCC(COC(=O)CC)OC(=O)CC","CCC(=O)OCC(COC(=O)CC)OC(=O)CC",{"$nulls":4},260.1259883600001,"?"]
[1547,"OC1=C(O)C=C(C=O)C=C1","139-85-5","O=Cc1ccc(O)c(O)c1","O=Cc1cc(c(cc1)O)O",{"$nulls":4},138.031694052,"?"]
[1548,null,"139-86-6",{"$nulls":7},""]
[1549,"CCN(CCO)CCO","139-87-7","CCN(CCO)CCO","CCN(CCO)CCO",{"$nulls":4},133.11027872,"?"]
[1550,"[O-][N+](=O)C1=CC=C(O1)C=NN1CC(CN2CCOCC2)OC1=O","139-91-3","O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1","O=C1N(CC(O1)CN2CCOCC2)N=Cc3oc(cc3)[N+](=O)[O-]",{"$nulls":4},324.1069842320004,"?"]
[1551,"CCNC(=O)NC1=NC=C(S1)[N+]([O-])=O","139-94-6","CCNC(=O)Nc1ncc([N+](=O)[O-])s1","CCNC(=O)Nc1sc(cn1)[N+](=O)[O-]",{"$nulls":4},216.031711116,"?"]
[1552,"OC(=O)C=CC1=CC=CC=C1","140-10-3","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1",{"$nulls":4},148.052429496,"?"]
[1553,"CC(=O)OCC1=CC=CC=C1","140-11-4","CC(=O)OCc1ccccc1","CC(=O)OCc1ccccc1",{"$nulls":4},150.06807956,"?"]
[1554,"C(CNCC1=CC=CC=C1)NCC1=CC=CC=C1","140-28-3","c1ccc(CNCCNCc2ccccc2)cc1","c1ccc(cc1)CNCCNCc2ccccc2",{"$nulls":4},240.16264864,"?"]
[1555,"N#CCC1=CC=CC=C1","140-29-4","N#CCc1ccccc1","N#CCc1ccccc1",{"$nulls":4},117.057849224,"?"]
[1556,"[Na+].CN(C)C1=CC=C(C=C1)N=NS([O-])(=O)=O","140-56-7","CN(C)c1ccc(N=NS(=O)(=O)[O-])cc1","CN(C)c1ccc(cc1)N=NS(=O)(=O)O","[Na+]",{"$nulls":3},251.03405646,"Structure has been neutralized"]
[1557,"COC1=CC=C(CC=C)C=C1","140-67-0","C=CCc1ccc(OC)cc1","C=CCc1ccc(cc1)OC",{"$nulls":4},148.088815004,"?"]
[1558,"OC(=O)CCC1CCCC1","140-77-2","O=C(O)CCC1CCCC1","O=C(O)CCC1CCCC1",{"$nulls":4},142.099379688,"?"]
[1559,"CCOC(=O)C=C","140-88-5","C=CC(=O)OCC","C=CC(=O)OCC",{"$nulls":4},100.052429496,"?"]
[1560,"CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC","141-02-6","CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC",{"$nulls":4},340.261359632001,"?"]
[1561,"CCCCOC(=O)CCC(=O)OCCCC","141-03-7","CCCCOC(=O)CCC(=O)OCCCC","CCCCOC(=O)CCC(=O)OCCCC",{"$nulls":4},230.151809184,"?"]
[1562,"CCOC(=O)C=CC(=O)OCC","141-05-9","CCOC(=O)C=CC(=O)OCC","CCOC(=O)C=CC(=O)OCC",{"$nulls":4},172.073558864,"?"]
[1563,"CCOC(=O)CCCCC(=O)OCC","141-28-6","CCOC(=O)CCCCC(=O)OCC","CCOC(=O)CCCCC(=O)OCC",{"$nulls":4},202.120509056,"?"]
[1564,"CCCCOC(=O)C=C","141-32-2","C=CC(=O)OCCCC","C=CC(=O)OCCCC",{"$nulls":4},128.083729624,"?"]
[1565,"NCCO","141-43-5","NCCO","NCCO",{"$nulls":4},61.052763844,"?"]
[1566,"[Na+].[O-]C=O","141-53-7","O=C[O-]","O=CO","[Na+]",{"$nulls":3},67.987423552,"Structure has been neutralized"]
[1567,"C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","141-62-8","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C",{"$nulls":4},310.1272009400008,"?"]
[1568,"COP(=O)(OC)OC(C)=CC(=O)N(C)C","141-66-2","COP(=O)(OC)OC(C)=CC(=O)N(C)C","COP(=O)(OC)OC(C)=CC(=O)N(C)C",{"$nulls":4},237.07660924200002,"?"]
[1569,"OC(=O)CCI","141-76-4","O=C(O)CCI","O=C(O)CCI",{"$nulls":4},199.9334274,"?"]
[1570,"CCOC(C)=O","141-78-6","CCOC(C)=O","CCOC(C)=O",{"$nulls":4},88.052429496,"?"]
[1571,"CC(C)=CC(C)=O","141-79-7","CC(=O)C=C(C)C","CC(=O)C=C(C)C",{"$nulls":4},98.07316494,"?"]
[1572,"OC(=O)CC(O)=O","141-82-2","O=C(O)CC(=O)O","O=C(O)CC(=O)O",{"$nulls":4},104.01095860800001,"?"]
[1573,"O=C1CSC(=S)N1","141-84-4","O=C1CSC(=S)N1","O=C1NC(SC1)=S",{"$nulls":4},132.965605716,"?"]
[1574,"O=C1NC(=S)NC=C1","141-90-2","O=c1cc[nH]c(=S)[nH]1","O=c1[nH]c([nH]cc1)=S",{"$nulls":4},128.004433748,"?"]
[1575,"CCC1=CC(CC)=CC=C1","141-93-5","CCc1cccc(CC)c1","CCc1cc(ccc1)CC",{"$nulls":4},134.109550448,"?"]
[1576,"CCOC(=O)CC(C)=O","141-97-9","CCOC(=O)CC(C)=O","CCOC(=O)CC(C)=O",{"$nulls":4},130.06299418,"?"]
[1577,"O=C1NC=CC=C1","142-08-5","O=c1cccc[nH]1","O=c1[nH]cccc1",{"$nulls":4},95.03711378,"?"]
[1578,"CC(=O)NCCO","142-26-7","CC(=O)NCCO","CC(=O)NCCO",{"$nulls":4},103.063328528,"?"]
[1579,"ClCCCCl","142-28-9","ClCCCCl","ClCCCCl",{"$nulls":4},111.98465555199999,"?"]
[1580,"C1CC=CC1","142-29-0","C1=CCCC1","C=1CCCC1",{"$nulls":4},68.062600256,"?"]
[1581,"NC(=S)NNC(N)=S","142-46-1","NC(=S)NNC(N)=S","NC(=S)NNC(N)=S",{"$nulls":4},150.003388192,"?"]
[1582,"[Na+].N[CH](CCC(O)=O)C([O-])=O","142-47-2","NC(CCC(=O)O)C(=O)[O-]","NC(CCC(=O)O)C(=O)O","[Na+]",{"$nulls":3},169.035102016,"Structure has been neutralized"]
[1583,"[Na+].[Na+].[S-]C(=S)NCCNC([S-])=S","142-59-6","S=C([S-])NCCNC(=S)[S-]","S=C(S)NCCNC(=S)S","[Na+]","[Na+]",null,null,255.920920752,"Structure has been neutralized"]
[1584,"CCCCCC(O)=O","142-62-1","CCCCCC(=O)O","CCCCCC(=O)O",{"$nulls":4},116.083729624,"?"]
[1585,"Cl.Cl.C1CNCCN1","142-64-3","C1CNCCN1","C1NCCNC1","Cl","Cl",null,null,158.03775374399999,"?"]
[1586,"C1CCOCC1","142-68-7","C1CCOCC1","C1CCOCC1",{"$nulls":4},86.07316494,"?"]
[1587,"OC(=O)CNCC(O)=O","142-73-4","O=C(O)CNCC(=O)O","O=C(O)CNCC(=O)O",{"$nulls":4},133.037507704,"?"]
[1588,"CCCCCCC","142-82-5","CCCCCCC","CCCCCCC",{"$nulls":4},100.12520051199999,"?"]
[1589,"CCCNCCC","142-84-7","CCCNCCC","CCCNCCC",{"$nulls":4},101.12044947999999,"?"]
[1590,"CCCCCCOC(C)=O","142-92-7","CCCCCCOC(C)=O","CCCCCCOC(C)=O",{"$nulls":4},144.115029752,"?"]
[1591,"CCCCOCCCC","142-96-1","CCCCOCCCC","CCCCOCCCC",{"$nulls":4},130.135765196,"?"]
[1592,"CCCCCCCCCCCC(O)=O","143-07-7","CCCCCCCCCCCC(=O)O","CCCCCCCCCCCC(=O)O",{"$nulls":4},200.177630008,"?"]
[1593,"CCCCCCCCCO","143-08-8","CCCCCCCCCO","CCCCCCCCCO",{"$nulls":4},144.15141526,"?"]
[1594,"CCCCCCNCCCCCC","143-16-8","CCCCCCNCCCCCC","CCCCCCNCCCCCC",{"$nulls":4},185.21434986399998,"?"]
[1595,"CCCCOCCOCCOCCO","143-22-6","CCCCOCCOCCOCCO","CCCCOCCOCCOCCO",{"$nulls":4},206.151809184,"?"]
[1596,"ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl","143-50-0","O=C1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","O=C1C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},485.68344141999995,"?"]
[1597,"[Na+].CCC(C)C1(CC)C(O)=NC(=O)N=C1[O-]","143-81-7","CCC(C)C1(CC)C([O-])=NC(=O)N=C1O","CCC(C)C1(C(=NC(N=C1O)=O)O)CC","[Na+]",{"$nulls":3},234.09803662,"Structure has been neutralized"]
[1598,"OC(=O)CC1(CC(O)=O)OCOC1=O","144-16-1","O=C(O)CC1(CC(=O)O)OCOC1=O","O=C(O)CC1(C(OCO1)=O)CC(=O)O",{"$nulls":4},204.02700259600002,"?"]
[1599,"CC(C)C(O)C(C)(C)CO","144-19-4","CC(C)C(O)C(C)(C)CO","CC(C)C(O)C(C)(C)CO",{"$nulls":4},146.130679816,"?"]
[1600,"[Na+].[Na+].C[As]([O-])([O-])=O","144-21-8","C[As](=O)([O-])[O-]","C[As](=O)(O)O","[Na+]","[Na+]",null,null,183.909354016,"Structure has been neutralized"]
[1601,"OC(=O)CF","144-49-0","O=C(O)CF","O=C(O)CF",{"$nulls":4},78.011707556,"?"]
[1602,"OC(=O)C(O)=O","144-62-7","O=C(O)C(=O)O","O=C(O)C(=O)O",{"$nulls":4},89.995308544,"?"]
[1603,"CC(=O)NS(=O)(=O)C1=CC=C(N)C=C1","144-80-9","CC(=O)NS(=O)(=O)c1ccc(N)cc1","CC(=O)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},214.04121318,"?"]
[1604,"CC1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)S1","144-82-1","Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},270.0245175600003,"?"]
[1605,"NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1","144-83-2","Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2",{"$nulls":4},249.057197592,"?"]
[1606,null,"144-98-9",{"$nulls":7},""]
[1607,"CC(=O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C","145-13-1","CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C","CC(=O)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C",{"$nulls":4},316.2402302640009,"?"]
[1608,"OC(=O)C1C2CCC(O2)C1C(O)=O","145-73-3","O=C(O)C1C2CCC(O2)C1C(=O)O","O=C(O)C1C(C2CCC1O2)C(=O)O",{"$nulls":4},186.05282342,"?"]
[1609,"O[CH]([CH](O)C(O)=O)C(O)=O","147-71-7","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",{"$nulls":4},150.01643791200001,"?"]
[1610,"O[CH]([CH](O)C(O)=O)C(O)=O","147-73-9","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",{"$nulls":4},150.01643791200001,"?"]
[1611,"OC[CH](O)[CH](O)[CH](O)C=O","147-81-9","O=CC(O)C(O)C(O)CO","O=CC(O)C(O)C(O)CO",{"$nulls":4},150.05282342,"?"]
[1612,"OC(=O)[CH]1CCCN1","147-85-3","O=C(O)C1CCCN1","O=C(O)C1NCCC1",{"$nulls":4},115.063328528,"?"]
[1613,"CC1=C(C=C(C=C1C(N)=O)[N+]([O-])=O)[N+]([O-])=O","148-01-6","Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1C(N)=O)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},225.038570324,"?"]
[1614,"OC1=CC=CC2=CC=CN=C12","148-24-3","Oc1cccc2cccnc12","Oc1c2c(ccc1)cccn2",{"$nulls":4},145.052763844,"?"]
[1615,"NS(=O)(=O)C1=CC2=C(NC=NS2(=O)=O)C=C1C(F)(F)F","148-56-1","NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC=NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)C(F)(F)F",{"$nulls":4},328.97518233200014,"?"]
[1616,"CN(C)CCN(CC1=CC=C(Cl)S1)C1=CC=CC=N1","148-65-2","CN(C)CCN(Cc1ccc(Cl)s1)c1ccccn1","CN(C)CCN(Cc1sc(cc1)Cl)c2ncccc2",{"$nulls":4},295.09099625600055,"?"]
[1617,"N1C2=C(C=CC=C2)N=C1C1=CSC=N1","148-79-8","c1ccc2[nH]c(-c3cscn3)nc2c1","c1cc2c(cc1)[nH]c(-c3ncsc3)n2",{"$nulls":4},201.036068224,"?"]
[1618,"OS(=O)(=O)OCCOC1=C(Cl)C=C(Cl)C=C1","149-26-8","O=S(=O)(O)OCCOc1ccc(Cl)cc1Cl","O=S(=O)(O)OCCOc1c(cc(cc1)Cl)Cl",{"$nulls":4},285.94694971600023,"?"]
[1619,"SC1=NC2=C(S1)C=CC=C2","149-30-4","Sc1nc2ccccc2s1","Sc1sc2c(n1)cccc2",{"$nulls":4},166.98634116,"?"]
[1620,"OC[CH](O)[CH](O)CO","149-32-6","OCC(O)C(O)CO","OCC(O)C(O)CO",{"$nulls":4},122.0579088,"?"]
[1621,"CCCCC(CC)C(O)=O","149-57-5","CCCCC(CC)C(=O)O","CCCCC(CC)C(=O)O",{"$nulls":4},144.115029752,"?"]
[1622,"OC(=O)C1=CC(O)=C(O)C(O)=C1","149-91-7","O=C(O)c1cc(O)c(O)c(O)c1","O=C(O)c1cc(c(c(c1)O)O)O",{"$nulls":4},170.021523292,"?"]
[1623,"NC1=CC=C(C=C1)C(O)=O","150-13-0","Nc1ccc(C(=O)O)cc1","Nc1ccc(cc1)C(=O)O",{"$nulls":4},137.047678464,"?"]
[1624,"COC1=CC=CC(O)=C1","150-19-6","COc1cccc(O)c1","COc1cc(ccc1)O",{"$nulls":4},124.052429496,"?"]
[1625,"NC(CC1=CC=CC=C1)C(O)=O","150-30-1","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",{"$nulls":4},165.078978592,"?"]
[1626,"CN(C)C(=O)NC1=CC=C(Cl)C=C1","150-68-5","CN(C)C(=O)Nc1ccc(Cl)cc1","CN(C)C(=O)Nc1ccc(cc1)Cl",{"$nulls":4},198.055990652,"?"]
[1627,"CCOC1=CC=C(NC(N)=O)C=C1","150-69-6","CCOc1ccc(NC(N)=O)cc1","CCOc1ccc(cc1)NC(N)=O",{"$nulls":4},180.089877624,"?"]
[1628,"COC1=CC=C(O)C=C1","150-76-5","COc1ccc(O)cc1","COc1ccc(cc1)O",{"$nulls":4},124.052429496,"?"]
[1629,"[Na+].[Na+].[O-]C(=O)CCC([O-])=O","150-90-3","O=C([O-])CCC(=O)[O-]","O=C(O)CCC(=O)O","[Na+]","[Na+]",null,null,161.99049716800002,"Structure has been neutralized"]
[1630,"[K+].[C-]#N","151-50-8","[K+]","[K+]","[C-]#N",{"$nulls":3},64.96678068,"?"]
[1631,"C1CN1","151-56-4","C1CN1","C1NC1",{"$nulls":4},43.042199159999996,"?"]
[1632,"FC(F)(F)C(Cl)Br","151-67-7","FC(F)(F)C(Cl)Br","FC(F)(F)C(Cl)Br",{"$nulls":4},195.890224472,"?"]
[1633,"CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C","152-16-9","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C",{"$nulls":4},286.13236388800067,"?"]
[1634,"NC1=C(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)C(O)=NC(=N)N1","152-93-2","N=c1nc(O)c(OC2OC(CO)C(O)C(O)C2O)c(N)[nH]1","N=c1[nH]c(c(c(n1)O)OC2C(C(C(C(O2)CO)O)O)O)N",{"$nulls":4},304.10189885200055,"?"]
[1635,"[H][C]12C[CH](C)[CH](C(=O)CO)[C]1(C)C[CH](O)[C]1([H])[C]2([H])C[CH](F)C2=CC(=O)C=C[C]12C","152-97-6","CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)C(O)C2)C)C(=O)CO",{"$nulls":4},376.2049876280007,"?"]
[1636,"ClCCNC(=O)N(CCCl)N=O","154-93-8","O=NN(CCCl)C(=O)NCCCl","O=NN(CCCl)C(=O)NCCCl",{"$nulls":4},213.007181888,"?"]
[1637,"OC(=O)CC1=CC=C(O)C=C1","156-38-7","O=C(O)Cc1ccc(O)cc1","O=C(O)Cc1ccc(cc1)O",{"$nulls":4},152.047344116,"?"]
[1638,"ClC=CCl","156-59-2","ClC=CCl","ClC=CCl",{"$nulls":4},95.953355424,"?"]
[1639,"ClC=CCl","156-60-5","ClC=CCl","ClC=CCl",{"$nulls":4},95.953355424,"?"]
[1640,"C1COC2(C1)CCCO2","176-25-0","C1COC2(C1)CCCO2","C1CC2(OC1)OCCC2",{"$nulls":4},128.083729624,"?"]
[1641,"C1=CC2=C3C4=C1C=CC1=C4C4=C(C=C1)C=CC1=C4C3=C(C=C2)C=C1","191-07-1","c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61","c1c2ccc3ccc4ccc5ccc6ccc(c1)c7c2c3c4c5c67",{"$nulls":4},300.09390038400034,"?"]
[1642,"C1=CC2=C3C(=C1)C1=C4C(C=CC5=C4C3=C(C=C2)C=C5)=CC=C1","191-24-2","c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56","c1cc2c3cccc4ccc5ccc6ccc(c1)c2c6c5c43",{"$nulls":4},276.09390038400034,"?"]
[1643,"C1=CC2=C3C=CC=C4C=CC5=CC=CC(=C2C=C1)C5=C34","192-97-2","c1ccc2c(c1)c1cccc3ccc4cccc2c4c31","c1cc2c(cc1)c3cccc4ccc5cccc2c5c43",{"$nulls":4},252.093900384,"?"]
[1644,"C1=CC2=C(C=C1)C1=C3C2=CC2=C4C(C=CC(C=C1)=C34)=CC=C2","193-39-5","c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45","c1cc-2c(cc1)-c3cc4cccc5ccc6ccc2c3c6c54",{"$nulls":4},276.09390038400034,"?"]
[1645,"N1C2=C(C3=C1C=CC1=CC=CC=C31)C1=CC=CC=C1C=C2","194-59-2","c1ccc2c(c1)ccc1[nH]c3ccc4ccccc4c3c12","c1cc2c(cc1)c3c(cc2)[nH]c4c3c5c(cc4)cccc5",{"$nulls":4},267.10479941600033,"?"]
[1646,"C1=CC=C2C(C=CC3=C2C2=CC=CC=C2C=C3)=C1","195-19-7","c1ccc2c(c1)ccc1ccc3ccccc3c12","c1cc2c(cc1)c3c(cc2)ccc4c3cccc4",{"$nulls":4},228.093900384,"?"]
[1647,"C1=CC2=C3C(=C1)C1=CC=CC4=C1C(=CC=C4)C3=CC=C2","198-55-0","c1cc2cccc3c4cccc5cccc(c(c1)c23)c54","c1cc2c3cccc4cccc(c5cccc(c1)c52)c43",{"$nulls":4},252.093900384,"?"]
[1648,"C1=CC=C2C(=C1)C1=CC=CC3=CC4=C(C=CC5=CC=CC=C45)C2=C13","203-20-3","c1ccc2c(c1)-c1cccc3cc4c(ccc5ccccc54)c-2c13","c1cc-2c(cc1)-c3c4c(cc5cccc2c53)c6c(cc4)cccc6",{"$nulls":4},302.1095504480004,"?"]
[1649,"C1C2=CC=CC3=C2C2=C1C=CC=C2C=C3","203-64-5","c1cc2c3c(c1)ccc1cccc(c13)C2","c1cc2c3c(c1)Cc4cccc(cc2)c34",{"$nulls":4},190.07825032,"?"]
[1650,"C1=CC2=C(C=C1)C1=C(C=C2)C2=CC=CC3=CC=CC1=C23","205-82-3","c1ccc2c3c(ccc2c1)-c1cccc2cccc-3c12","c1cc2c(cc1)c3-c4cccc5cccc(-c3cc2)c54",{"$nulls":4},252.093900384,"?"]
[1651,"C1=CC=C2C(=C1)C1=CC=CC3=C4C=CC=CC4=CC2=C13","205-99-2","c1ccc2c(c1)-c1cccc3c1c-2cc1ccccc13","c1cc-2c(cc1)-c3c4c2cccc4c5c(c3)cccc5",{"$nulls":4},252.093900384,"?"]
[1652,"C1=CC2=C(C=C1)C1=C3C2=CC=CC3=CC=C1","206-44-0","c1ccc2c(c1)-c1cccc3cccc-2c13","c1cc-2c(cc1)-c3cccc4cccc2c43",{"$nulls":4},202.07825032,"?"]
[1653,"C1=CC2=CC3=C(C=C2C=C1)C1=C2C3=CC=CC2=CC=C1","207-08-9","c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12","c1cc2c(cc1)cc3-c4cccc5cccc(-c3c2)c54",{"$nulls":4},252.093900384,"?"]
[1654,"C1=CC2=C3C1=CC=CC3=CC=C2","208-96-8","C1=Cc2cccc3cccc1c23","C=1c2cccc3cccc(C1)c32",{"$nulls":4},152.062600256,"?"]
[1655,"C1=CC=C2C(C=CC3=C4C=CC5=CC=CC=C5C4=CC=C23)=C1","213-46-7","c1ccc2c(c1)ccc1c2ccc2c3ccccc3ccc21","c1cc2c(cc1)c3c(cc2)c4c(cc3)c5c(cccc5)cc4",{"$nulls":4},278.1095504480004,"?"]
[1656,"C1=CC=C2C=C3C4=CC=CC=C4C4=CC=CC=C4C3=CC2=C1","215-58-7","c1ccc2cc3c4ccccc4c4ccccc4c3cc2c1","c1cc2c(cc1)cc3c(c4c(c5c3cccc5)cccc4)c2",{"$nulls":4},278.1095504480004,"?"]
[1657,"C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21","217-59-4","c1ccc2c(c1)c1ccccc1c1ccccc21","c1cc2c(cc1)c3c(c4c2cccc4)cccc3",{"$nulls":4},228.093900384,"?"]
[1658,"C1=CC2=C(C=C1)C1=C(C=C2)C2=C(C=CC=C2)C=C1","218-01-9","c1ccc2c(c1)ccc1c3ccccc3ccc21","c1cc2c(cc1)c3c(cc2)c4c(cccc4)cc3",{"$nulls":4},228.093900384,"?"]
[1659,"C1=CC=C2C(C=CC3=CC4=C(C=C23)C2=CC=CC=C2C=C4)=C1","224-41-9","c1ccc2c(c1)ccc1cc3ccc4ccccc4c3cc12","c1cc2c(cc1)c3c(cc2)cc4c(c5c(cc4)cccc5)c3",{"$nulls":4},278.1095504480004,"?"]
[1660,"N1C2=C(SC3=C1C1=CC=CC=C1C=C3)C=CC1=CC=CC=C21","224-62-4","c1ccc2c3c(ccc2c1)Sc1ccc2ccccc2c1N3","c1cc2c(cc1)c3Nc4c(Sc3cc2)ccc5c4cccc5",{"$nulls":4},299.07687041600036,"?"]
[1661,"N1C2=C(SC3=C1C=CC1=CC=CC=C31)C1=CC=CC=C1C=C2","224-72-6","c1ccc2c3c(ccc2c1)Nc1ccc2ccccc2c1S3","c1cc2c(cc1)c3Sc4c(Nc3cc2)ccc5c4cccc5",{"$nulls":4},299.07687041600036,"?"]
[1662,"N1C2=C(SC3=CC=C4C=CC=CC4=C13)C=CC=C2","225-83-2","c1ccc2c(c1)Nc1c(ccc3ccccc13)S2","c1cc2c(cc1)Sc3c(N2)c4c(cc3)cccc4",{"$nulls":4},249.061220352,"?"]
[1663,"N1C2=CC=CC=C2SC2=C1C=CC1=CC=CC=C21","226-06-2","c1ccc2c(c1)Nc1ccc3ccccc3c1S2","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4",{"$nulls":4},249.061220352,"?"]
[1664,"C1=CC=C2C(C=CC3=C2C=C2C=CC4=CC=CC=C4C2=N3)=C1","226-36-8","c1ccc2c(c1)ccc1nc3c(ccc4ccccc43)cc12","c1cc2c(cc1)c3c(cc2)nc4c5c(ccc4c3)cccc5",{"$nulls":4},279.10479941600033,"?"]
[1665,"C1=CC=C2C(=C1)C=NC1=CC=CC=C21","229-87-8","c1ccc2c(c1)cnc1ccccc12","c1cc2c(cc1)c3c(nc2)cccc3",{"$nulls":4},179.073499288,"?"]
[1666,null,"230-46-6",{"$nulls":7},""]
[1667,"C1C2=CC=CC=C2C2=CC=C3C=CC=CC3=C12","238-84-6","c1ccc2c(c1)Cc1c-2ccc2ccccc12","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4",{"$nulls":4},216.093900384,"?"]
[1668,"N1C2=C(C=CC3=CC=CC=C23)C2=C1C1=CC=CC=C1C=C2","239-64-5","c1ccc2c(c1)ccc1c3ccc4ccccc4c3[nH]c21","c1cc2c(cc1)c3c(cc2)c4c(c5c(cc4)cccc5)[nH]3",{"$nulls":4},267.10479941600033,"?"]
[1669,"C1C2=CC=CC=C2C2=C1C=C1C=CC=CC1=C2","243-17-4","c1ccc2c(c1)Cc1cc3ccccc3cc1-2","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3",{"$nulls":4},216.093900384,"?"]
[1670,null,"253-52-1",{"$nulls":7},""]
[1671,"C1=CC2=CC3=CC=CC=C3N=C2C=C1","260-94-6","c1ccc2nc3ccccc3cc2c1","c1cc2c(cc1)nc3c(cccc3)c2",{"$nulls":4},179.073499288,"?"]
[1672,"O1C2=CC=CC=C2OC2=C1C=CC=C2","262-12-4","c1ccc2c(c1)Oc1ccccc1O2","c1cc2c(cc1)Oc3c(O2)cccc3",{"$nulls":4},184.052429496,"?"]
[1673,"N1N=CC2=CC=CC=C12","271-44-3","c1ccc2[nH]ncc2c1","c1cc2c(cc1)[nH]nc2",{"$nulls":4},118.053098192,"?"]
[1674,"N1N=C2C=NC=NC2=N1","273-40-5","c1ncc2n[nH]nc2n1","c1nc2c(cn1)n[nH]n2",{"$nulls":4},121.03884509599999,"?"]
[1675,"O1C=NC2=CC=CC=C12","273-53-0","c1ccc2ocnc2c1","c1cc2c(cc1)ocn2",{"$nulls":4},119.03711378,"?"]
[1676,"C1CN2CCN1CC2","280-57-9","C1CN2CCN1CC2","C1N2CCN(C1)CC2",{"$nulls":4},112.10004838399999,"?"]
[1677,"C1CCCC1","287-92-3","C1CCCC1","C1CCCC1",{"$nulls":4},70.07825032,"?"]
[1678,"N1C=CC=N1","288-13-1","c1cn[nH]c1","c1c[nH]nc1",{"$nulls":4},68.037448128,"?"]
[1679,"O1C=CC=N1","288-14-2","c1cnoc1","c1conc1",{"$nulls":4},69.021463716,"?"]
[1680,"S1C=CN=N1","288-48-2","c1csnn1","c1nnsc1",{"$nulls":4},85.993869064,"?"]
[1681,"C1=CC=NN=C1","289-80-5","c1ccnnc1","c1cnncc1",{"$nulls":4},80.037448128,"?"]
[1682,"C1=CN=CN=C1","289-95-2","c1cncnc1","c1cncnc1",{"$nulls":4},80.037448128,"?"]
[1683,"C1CCCCCC1","291-64-5","C1CCCCCC1","C1CCCCCC1",{"$nulls":4},98.109550448,"?"]
[1684,"C1CCCCCCC1","292-64-8","C1CCCCCCC1","C1CCCCCCC1",{"$nulls":4},112.12520051199999,"?"]
[1685,"CCOP(=S)(OCC)OC1=CN=CC=N1","297-97-2","CCOP(=S)(OCC)Oc1cnccn1","CCOP(=S)(OCC)Oc1nccnc1",{"$nulls":4},248.03844990599998,"?"]
[1686,"CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","297-99-4","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC",{"$nulls":4},299.0689370180005,"?"]
[1687,null,"298-00-0",{"$nulls":7},""]
[1688,"COC(=O)C=C(C)OP(=O)(OC)OC","298-01-1","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",{"$nulls":4},224.044974766,"?"]
[1689,"CCOP(=S)(OCC)SCSCC","298-02-2","CCOP(=S)(OCC)SCSCC","CCOP(=S)(OCC)SCSCC",{"$nulls":4},260.01282941400007,"?"]
[1690,"CCOP(=S)(OCC)OCCSCC","298-03-3","CCOP(=S)(OCC)OCCSCC","CCOP(=S)(OCC)OCCSCC",{"$nulls":4},258.05132309800007,"?"]
[1691,"CCOP(=S)(OCC)SCCSCC","298-04-4","CCOP(=S)(OCC)SCCSCC","CCOP(=S)(OCC)SCCSCC",{"$nulls":4},274.02847947800046,"?"]
[1692,"C1O[CH]1[CH]1CO1","298-18-0","C1OC1C1CO1","C1C(O1)C2OC2",{"$nulls":4},86.036779432,"?"]
[1693,"NC(=O)N1C2=CC=CC=C2C=CC2=C1C=CC=C2","298-46-4","NC(=O)N1c2ccccc2C=Cc2ccccc21","NC(=O)N1c2c(C=Cc3c1cccc3)cccc2",{"$nulls":4},236.094963004,"?"]
[1694,"C(C=CC1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1","298-57-7","C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1","C(=Cc1ccccc1)CN2CCN(CC2)C(c3ccccc3)c4ccccc4",{"$nulls":4},368.2252488960008,"?"]
[1695,"COC1=C2OC(=O)C=CC2=CC2=C1OC=C2","298-81-7","COc1c2occc2cc2ccc(=O)oc12","COc1c2c(cc3c1occ3)ccc(=O)o2",{"$nulls":4},216.042258736,"?"]
[1696,null,"299-39-8",{"$nulls":7},""]
[1697,"CN[CH](C)[CH](O)C1=CC=CC=C1","299-42-3","CNC(C)C(O)c1ccccc1","CNC(C)C(O)c1ccccc1",{"$nulls":4},165.1153641,"?"]
[1698,"COP(=S)(OC)OC1=C(Cl)C=C(Cl)C(Cl)=C1","299-84-3","COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},319.89973478600024,"?"]
[1699,"COP(=S)(NC(C)C)OC1=C(Cl)C=C(Cl)C=C1","299-85-4","COP(=S)(NC(C)C)Oc1ccc(Cl)cc1Cl","COP(=S)(NC(C)C)Oc1c(cc(cc1)Cl)Cl",{"$nulls":4},312.98599167800035,"?"]
[1700,"CNP(=O)(OC)OC1=CC=C(C=C1Cl)C(C)(C)C","299-86-5","CNP(=O)(OC)Oc1ccc(C(C)(C)C)cc1Cl","CNP(=O)(OC)Oc1c(cc(cc1)C(C)(C)C)Cl",{"$nulls":4},291.07910777800055,"?"]
[1701,"OCCNCCO.OC(=O)CN1C=C(I)C(=O)C(I)=C1","300-37-8","O=C(O)Cn1cc(I)c(=O)c(I)c1","O=C(O)Cn1cc(c(c(c1)I)=O)I","OCCNCCO",{"$nulls":3},509.91486761200014,"?"]
[1702,null,"300-38-9",{"$nulls":7},""]
[1703,"N[CH](CC1=CC(I)=C(O)C(I)=C1)C(O)=O","300-39-0","NC(Cc1cc(I)c(O)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O",{"$nulls":4},432.8671891480002,"?"]
[1704,"COP(=O)(OC)OC(Br)C(Cl)(Cl)Br","300-76-5","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br",{"$nulls":4},377.78257489400016,"?"]
[1705,"CCS(=O)CCSP(=O)(OC)OC","301-12-2","CCS(=O)CCSP(=O)(OC)OC","CCS(=O)CCSP(=O)(OC)OC",{"$nulls":4},246.01493759,"?"]
[1706,"NN","302-01-2","NN","NN",{"$nulls":4},32.037448128,"?"]
[1707,"OC(O)C(Cl)(Cl)Cl","302-17-0","OC(O)C(Cl)(Cl)Cl","OC(O)C(Cl)(Cl)Cl",{"$nulls":4},163.919862376,"?"]
[1708,"CCN1C[C]2(COC)[CH]3[CH](OC)[CH]4C1[C]3([CH]1C[C]3(O)[CH](OC(=O)C5=CC=CC=C5)[CH]1[C]4(OC(C)=O)[CH](O)[CH]3OC)[CH](C[CH]2O)OC","302-27-2","CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14","CCN1C2C34C(CC(C(C1)(C3C(C2C5(C(C(C6(CC4C5C6OC(=O)c7ccccc7)O)OC)O)OC(C)=O)OC)COC)O)OC",{"$nulls":4},645.3149113240013,"?"]
[1709,null,"302-66-9",{"$nulls":7},""]
[1710,"CC(N)C(O)=O","302-72-7","CC(N)C(=O)O","CC(N)C(=O)O",{"$nulls":4},89.047678464,"?"]
[1711,"NC(CO)C(O)=O","302-84-1","NC(CO)C(=O)O","NC(CO)C(=O)O",{"$nulls":4},105.042593084,"?"]
[1712,"OC(=O)C1=C(O)C=CC=C1O","303-07-1","O=C(O)c1c(O)cccc1O","O=C(O)c1c(cccc1O)O",{"$nulls":4},154.026608672,"?"]
[1713,"[Na+].[K+].O[CH]([CH](O)C([O-])=O)C([O-])=O","304-59-6","O=C([O-])C(O)C(O)C(=O)[O-]","O=C(O)C(O)C(O)C(=O)O","[K+]","[Na+]",null,null,209.954263808,"Structure has been neutralized"]
[1714,null,"306-23-0",{"$nulls":7},""]
[1715,"FC(F)(F)C(Cl)Cl","306-83-2","FC(F)(F)C(Cl)Cl","FC(F)(F)C(Cl)Cl",{"$nulls":4},151.940740052,"?"]
[1716,"ClC1=C(Cl)[C]2(Cl)[CH]3[CH]4C[CH](C=C4)[CH]3[C]1(Cl)C2(Cl)Cl","309-00-2","ClC1=C(Cl)C2(Cl)C3C4C=CC(C4)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4CC3C=C4)Cl",{"$nulls":4},361.8757163360002,"?"]
[1717,"CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O","311-45-5","CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1","CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},275.0558737980004,"?"]
[1718,"CCOP(=O)(OCC)OC=CCl","311-47-7","CCOP(=O)(OC=CCl)OCC","CCOP(=O)(OC=CCl)OCC",{"$nulls":4},214.016173174,"?"]
[1719,"N[CH](CO)C(O)=O","312-84-5","NC(CO)C(=O)O","NC(CO)C(=O)O",{"$nulls":4},105.042593084,"?"]
[1720,"CCC(C)N1C(=O)NC(C)=C(Br)C1=O","314-40-9","CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O","CCC(C)n1c(c(c([nH]c1=O)C)Br)=O",{"$nulls":4},260.0160397560001,"?"]
[1721,"CC(C)N1C(=O)NC(C)=C(Br)C1=O","314-42-1","Cc1[nH]c(=O)n(C(C)C)c(=O)c1Br","Cc1c(c(n(c([nH]1)=O)C(C)C)=O)Br",{"$nulls":4},246.000389692,"?"]
[1722,"CNC(=O)OC1=CC(C)=C(N(C)C)C(C)=C1","315-18-4","CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1","CNC(=O)Oc1cc(c(c(c1)C)N(C)C)C",{"$nulls":4},222.136827816,"?"]
[1723,"OC1=NC=NC2=C1C=NN2","315-30-0","Oc1ncnc2[nH]ncc12","Oc1c2c(ncn1)[nH]nc2",{"$nulls":4},136.038510748,"?"]
[1724,"CCC(C)[CH](N)C(O)=O","319-78-8","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[1725,"Cl[CH]1[CH](Cl)[CH](Cl)[CH](Cl)[CH](Cl)[CH]1Cl","319-84-6","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},287.86006627200015,"?"]
[1726,"Cl[CH]1[CH](Cl)[CH](Cl)[CH](Cl)[CH](Cl)[CH]1Cl","319-85-7","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},287.86006627200015,"?"]
[1727,"Cl[CH]1[CH](Cl)[CH](Cl)[CH](Cl)[CH](Cl)[CH]1Cl","319-86-8","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},287.86006627200015,"?"]
[1728,"OC(=O)C1=C(O)C=CC(Cl)=C1","321-14-2","O=C(O)c1cc(Cl)ccc1O","O=C(O)c1c(ccc(c1)Cl)O",{"$nulls":4},171.9927217,"?"]
[1729,"FC1=C2C=CC=CC2=CC=C1","321-38-0","Fc1cccc2ccccc12","Fc1c2c(ccc1)cccc2",{"$nulls":4},146.053178444,"?"]
[1730,"CC(=O)NC1=C(C)C=C(F)C=C1","326-65-8","CC(=O)Nc1ccc(F)cc1C","CC(=O)Nc1c(cc(cc1)F)C",{"$nulls":4},167.07464216,"?"]
[1731,"CC(=O)NC1=C(F)C=C(C)C=C1","326-67-0","CC(=O)Nc1ccc(C)cc1F","CC(=O)Nc1c(cc(cc1)C)F",{"$nulls":4},167.07464216,"?"]
[1732,"FC1=CC(F)=C(F)C=C1F","327-54-8","Fc1cc(F)c(F)cc1F","Fc1c(cc(c(c1)F)F)F",{"$nulls":4},150.009262944,"?"]
[1733,"CCCC[CH](N)C(O)=O","327-57-1","CCCCC(N)C(=O)O","CCCCC(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[1734,"O[CH]1C[C](O)(C[CH](OC(=O)C=CC2=CC(O)=C(O)C=C2)[CH]1O)C(O)=O","327-97-9","O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O","O=C(C=Cc1cc(c(cc1)O)O)OC2C(C(CC(C2)(O)C(=O)O)O)O",{"$nulls":4},354.09508215600044,"?"]
[1735,"CCOP(=S)(CC)OC1=C(Cl)C=C(Cl)C(Cl)=C1","327-98-0","CCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl","CCOP(=S)(CC)Oc1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},331.9361202940003,"?"]
[1736,null,"328-39-2",{"$nulls":7},""]
[1737,"OC1=C(C=CC(=C1)[N+]([O-])=O)[N+]([O-])=O","329-71-5","O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1","O=[N+]([O-])c1cc(c(cc1)[N+](=O)[O-])O",{"$nulls":4},184.012021228,"?"]
[1738,"CP(F)(=O)OC1CCCCC1","329-99-7","CP(=O)(F)OC1CCCCC1","CP(=O)(F)OC1CCCCC1",{"$nulls":4},180.071544538,"?"]
[1739,"CN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1","330-54-1","CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CN(C)C(=O)Nc1cc(c(cc1)Cl)Cl",{"$nulls":4},232.0170183,"?"]
[1740,"CON(C)C(=O)NC1=CC=C(Cl)C(Cl)=C1","330-55-2","CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CON(C)C(=O)Nc1cc(c(cc1)Cl)Cl",{"$nulls":4},248.01193292,"?"]
[1741,null,"333-41-5",{"$nulls":7},""]
[1742,"CCCCCCCCCC(O)=O","334-48-5","CCCCCCCCCC(=O)O","CCCCCCCCCC(=O)O",{"$nulls":4},172.14632988,"?"]
[1743,"C[CH](N)C(O)=O","338-69-2","CC(N)C(=O)O","CC(N)C(=O)O",{"$nulls":4},89.047678464,"?"]
[1744,"CCCCNC(=O)NS(=O)(=O)C1=CC=C(N)C=C1","339-43-5","CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},271.0990624040004,"?"]
[1745,"FC1=C(CCl)C=CC=C1","345-35-7","Fc1ccccc1CCl","Fc1c(cccc1)CCl",{"$nulls":4},144.014206092,"?"]
[1746,"FC1=C(Cl)C=CC=C1","348-51-6","Fc1ccccc1Cl","Fc1c(cccc1)Cl",{"$nulls":4},129.998556028,"?"]
[1747,"FC1=CC=C(CCl)C=C1","352-11-4","Fc1ccc(CCl)cc1","Fc1ccc(cc1)CCl",{"$nulls":4},144.014206092,"?"]
[1748,"FC1=CC=C(I)C=C1","352-34-1","Fc1ccc(I)cc1","Fc1ccc(cc1)I",{"$nulls":4},221.934176348,"?"]
[1749,"CCSCC","352-93-2","CCSCC","CCSCC",{"$nulls":4},90.05032132,"?"]
[1750,null,"352-97-6",{"$nulls":7},""]
[1751,"CCF","353-36-6","CCF","CCF",{"$nulls":4},48.03752838,"?"]
[1752,"COC1=CC2=C(C=C1OC)[C]13CCN4CC5=CCO[CH]6CC(=O)N2[CH]1[CH]6[CH]5C[CH]34","357-57-3","COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43","COc1c(cc2c(c1)N3C(CC4OCC=C5CN6CCC27C3C4C5CC76)=O)OC",{"$nulls":4},394.18925731200073,"?"]
[1753,null,"360-65-6",{"$nulls":7},""]
[1754,null,"363-67-7",{"$nulls":7},""]
[1755,"CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC","364-62-5","CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC","CCN(CC)CCNC(=O)c1c(cc(c(c1)Cl)N)OC",{"$nulls":4},299.1400546240006,"?"]
[1756,"C1=CC=C(N=C1)C1=CC=CC=N1","366-18-7","c1ccc(-c2ccccn2)nc1","c1cnc(cc1)-c2ncccc2",{"$nulls":4},156.068748256,"?"]
[1757,"FC1=C(F)C=CC=C1","367-11-3","Fc1ccccc1F","Fc1c(cccc1)F",{"$nulls":4},114.028106568,"?"]
[1758,null,"368-16-1",{"$nulls":7},""]
[1759,"F[P-](F)(F)(F)(F)F.N#[N+]C1=CC=CC=C1","369-58-4","F[P-](F)(F)(F)(F)F","F[P-](F)(F)(F)(F)F","N#[N+]c1ccccc1",{"$nulls":3},250.00945411,"?"]
[1760,"OCCF","371-62-0","OCCF","OCCF",{"$nulls":4},64.032443,"?"]
[1761,"CC(C)NP(F)(=O)NC(C)C","371-86-8","CC(C)NP(=O)(F)NC(C)C","CC(C)NP(=O)(F)NC(C)C",{"$nulls":4},182.098427982,"?"]
[1762,"FC1=CC(F)=CC=C1","372-18-9","Fc1cccc(F)c1","Fc1cc(ccc1)F",{"$nulls":4},114.028106568,"?"]
[1763,"CCOC(=O)CC(=O)C(F)(F)F","372-31-6","CCOC(=O)CC(=O)C(F)(F)F","CCOC(=O)CC(=O)C(F)(F)F",{"$nulls":4},184.034728744,"?"]
[1764,"CC(O)C(F)(F)F","374-01-6","CC(O)C(F)(F)F","CC(O)C(F)(F)F",{"$nulls":4},114.02924944,"?"]
[1765,"FC(F)(F)C(F)(Cl)Cl","374-07-2","FC(F)(F)C(F)(Cl)Cl","FC(F)(F)C(F)(Cl)Cl",{"$nulls":4},169.93131824,"?"]
[1766,"[H][C]12C[CH](C)[C](O)(C(=O)CO)[C]1(C)C[CH](O)[C]1(F)[C]2([H])CCC2=CC(=O)C=C[C]12C","378-44-9","CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",{"$nulls":4},392.19990224800074,"?"]
[1767,"CCC1(C(=O)NC(=O)NC1=O)C1=CC=C(O)C=C1","379-34-0","CCC1(c2ccc(O)cc2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)c2ccc(cc2)O",{"$nulls":4},248.079706864,"?"]
[1768,"F[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1","379-52-2","F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1","F[Sn](c1ccccc1)(c2ccccc2)c3ccccc3",{"$nulls":4},370.0179734000004,"?"]
[1769,"OC(=O)C(F)F","381-73-7","O=C(O)C(F)F","O=C(O)C(F)F",{"$nulls":4},96.002285744,"?"]
[1770,null,"382-45-6",{"$nulls":7},""]
[1771,"CCN1C=C(C(O)=O)C(=O)C2=C1N=C(C)C=C2","389-08-2","CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21","CCn1c2c(c(c(c1)C(=O)O)=O)ccc(C)n2",{"$nulls":4},232.084792244,"?"]
[1772,"CCCC1=CC(F)=CC=C1O","398-88-9","CCCc1cc(F)ccc1O","CCCc1c(ccc(c1)F)O",{"$nulls":4},154.079393192,"?"]
[1773,null,"405-22-1",{"$nulls":7},""]
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[1865,"OC1=NC2=NC=CN=C2C(O)=N1","487-21-8","Oc1nc(O)c2nccnc2n1","Oc1nc2c(c(n1)O)nccn2",{"$nulls":4},164.033425368,"?"]
[1866,"COC1=C(OC)C=C(C=C1)[CH]1OC[CH]2[CH]1CO[CH]2C1=CC(OC)=C(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)C=C1","487-41-2","COc1ccc(C2OCC3C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)cc1OC","COc1c(cc(cc1)C2C3C(CO2)C(c4cc(c(cc4)OC5C(C(C(C(O5)CO)O)O)O)OC)OC3)OC",{"$nulls":4},534.2101119080007,"?"]
[1867,"CC1=C(CCC(O)=O)C(=O)NC1=O","487-65-0","CC1=C(CCC(=O)O)C(=O)NC1=O","CC=1C(NC(C1CCC(=O)O)=O)=O",{"$nulls":4},183.053157768,"?"]
[1868,"OC[CH](O)[CH](O)C(O)[CH](O)[CH](O)CO","488-38-0","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",{"$nulls":4},212.089602852,"?"]
[1869,null,"488-59-5",{"$nulls":7},""]
[1870,"O[CH]1C[CH](O)[CH](O)C(O)[CH]1O","488-73-3","OC1CC(O)C(O)C(O)C1O","OC1C(C(C(C(C1)O)O)O)O",{"$nulls":4},164.068473484,"?"]
[1871,"CC(C)C1=CC2=C(C)C=CC2=C(C)C=C1","489-84-9","Cc1ccc(C(C)C)cc2c(C)ccc1-2","Cc1c2-c(cc(cc1)C(C)C)c(C)cc2",{"$nulls":4},198.140850576,"?"]
[1872,"OC(=O)C1=C(C=NC=C1)C(O)=O","490-11-9","O=C(O)c1ccncc1C(=O)O","O=C(O)c1c(cncc1)C(=O)O",{"$nulls":4},167.02185764,"?"]
[1873,"OC(=O)C1=CC2=C(OCO2)C=C1C(O)=O","490-26-6","O=C(O)c1cc2c(cc1C(=O)O)OCO2","O=C(O)c1c(cc2c(c1)OCO2)C(=O)O",{"$nulls":4},210.01643791200001,"?"]
[1874,null,"490-58-4",{"$nulls":7},""]
[1875,"COC(=O)C1=CC=CC=C1O[CH]1O[CH](CO[CH]2OC[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O","490-67-5","COC(=O)c1ccccc1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O","COC(=O)c1c(cccc1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O",{"$nulls":4},446.1424262720006,"?"]
[1876,"OC(=O)C1=C(O)C=CC(O)=C1","490-79-9","O=C(O)c1cc(O)ccc1O","O=C(O)c1c(ccc(c1)O)O",{"$nulls":4},154.026608672,"?"]
[1877,"O=C1NC=CC2=CC=CC=C12","491-30-5","O=c1[nH]ccc2ccccc12","O=c1c2c(cc[nH]1)cccc2",{"$nulls":4},145.052763844,"?"]
[1878,"CC1=CC2=CC3=CC=CC(O)=C3C(O)=C2C(O)=C1","491-59-8","Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1","Cc1cc2c(c(c1)O)c(O)c3c(cccc3O)c2",{"$nulls":4},240.078644244,"?"]
[1879,"NC1=NC(=O)C2=C(N1)NC(=O)C(=O)N2","492-11-5","Nc1nc(=O)c2[nH]c(=O)c(=O)[nH]c2[nH]1","Nc1[nH]c2c(c(n1)=O)[nH]c(=O)c(=O)[nH]2",{"$nulls":4},195.03923902,"?"]
[1880,null,"492-18-2",{"$nulls":7},""]
[1881,"OC(=O)C(=C)C1=CC=CC=C1","492-38-6","C=C(C(=O)O)c1ccccc1","C=C(C(=O)O)c1ccccc1",{"$nulls":4},148.052429496,"?"]
[1882,"C[CH](N)[CH](O)C1=CC=CC=C1","492-39-7","CC(N)C(O)c1ccccc1","CC(N)C(O)c1ccccc1",{"$nulls":4},151.099714036,"?"]
[1883,"OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O","492-62-6","OCC1OC(O)C(O)C(O)C1O","OCC1C(C(C(C(O1)O)O)O)O",{"$nulls":4},180.063388104,"?"]
[1884,null,"492-70-6",{"$nulls":7},""]
[1885,"O=C1CC(CC(=O)C1)C1=CC=CC=C1","493-72-1","O=C1CC(=O)CC(c2ccccc2)C1","O=C1CC(CC(C1)=O)c2ccccc2",{"$nulls":4},188.083729624,"?"]
[1886,"CN(C)C1=CC2=NC3=C(C=CC(=C3)N(C)C)C=C2C=C1","494-38-2","CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1","CN(C)c1cc2c(cc1)cc3c(cc(cc3)N(C)C)n2",{"$nulls":4},265.15789760800027,"?"]
[1887,"C1CC[CH](NC1)C1=CC=CN=C1","494-52-0","c1cncc(C2CCCCN2)c1","c1cc(cnc1)C2NCCCC2",{"$nulls":4},162.115698448,"?"]
[1888,"OCC1=C(O)C=CC(O)=C1","495-08-9","OCc1cc(O)ccc1O","OCc1c(ccc(c1)O)O",{"$nulls":4},140.047344116,"?"]
[1889,"OC(=O)CNC(=O)C1=CC=CC=C1","495-69-2","O=C(O)CNC(=O)c1ccccc1","O=C(O)CNC(=O)c1ccccc1",{"$nulls":4},179.058243148,"?"]
[1890,"ON=C1C=CC(C=C1)=NNC(=O)C1=CC=CC=C1","495-73-8","O=C(NN=C1C=CC(=NO)C=C1)c1ccccc1","O=C(NN=C1C=CC(C=C1)=NO)c2ccccc2",{"$nulls":4},241.085126592,"?"]
[1891,"OC1=C(C=NNC(=O)C2=CC=NC=C2)C=CC=C1","495-84-1","O=C(NN=Cc1ccccc1O)c1ccncc1","O=C(NN=Cc1c(cccc1)O)c2ccncc2",{"$nulls":4},241.085126592,"?"]
[1892,"C1CC2=CC=CC=C2C1","496-11-7","c1ccc2c(c1)CCC2","c1cc2c(cc1)CCC2",{"$nulls":4},118.07825032,"?"]
[1893,"C1CC2=CC=CC=C2N1","496-15-1","c1ccc2c(c1)CCN2","c1cc2c(cc1)NCC2",{"$nulls":4},119.073499288,"?"]
[1894,"CC=C(C)C=O","497-03-0","CC=C(C)C=O","CC=C(C)C=O",{"$nulls":4},84.057514876,"?"]
[1895,"CC1OCCO1","497-26-7","CC1OCCO1","CC1OCCO1",{"$nulls":4},88.052429496,"?"]
[1896,"O=C1CC2CCC1C2","497-38-1","O=C1CC2CCC1C2","O=C1C2CCC(C1)C2",{"$nulls":4},110.07316494,"?"]
[1897,null,"497-58-5",{"$nulls":7},""]
[1898,"OC(=O)C1=CC(=O)C(O)=C(O1)C(O)=O","497-59-6","O=C(O)c1cc(=O)c(O)c(C(=O)O)o1","O=C(O)c1oc(c(c(c1)=O)O)C(=O)O",{"$nulls":4},199.99570246800002,"?"]
[1899,"COC1=CC(=CC=C1O)C(C)=O","498-02-2","COc1cc(C(C)=O)ccc1O","COc1c(ccc(c1)C(C)=O)O",{"$nulls":4},166.06299418,"?"]
[1900,null,"498-18-0",{"$nulls":7},""]
[1901,"CC(CC(O)=O)C(O)=O","498-21-5","CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O",{"$nulls":4},132.042258736,"?"]
[1902,null,"498-23-7",{"$nulls":7},""]
[1903,"CC(=CC(O)=O)C(O)=O","498-24-8","CC(=CC(=O)O)C(=O)O","CC(=CC(=O)O)C(=O)O",{"$nulls":4},130.026608672,"?"]
[1904,null,"498-71-5",{"$nulls":7},""]
[1905,"OC(=O)CC(=CC(O)=O)C(O)=O","499-12-7","O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O",{"$nulls":4},174.01643791200001,"?"]
[1906,null,"499-74-1",{"$nulls":7},""]
[1907,"CC(C)C1=CC=C(C)C(O)=C1","499-75-2","Cc1ccc(C(C)C)cc1O","Cc1c(cc(cc1)C(C)C)O",{"$nulls":4},150.104465068,"?"]
[1908,"OC(=O)C1=CC(=NC=C1)C(O)=O","499-80-9","O=C(O)c1ccnc(C(=O)O)c1","O=C(O)c1cc(ncc1)C(=O)O",{"$nulls":4},167.02185764,"?"]
[1909,"OC(=O)C1=CC(=CN=C1)C(O)=O","499-81-0",null,null,"OC(=O)c1cc(cnc1)C(O)=O",{"$nulls":3},751.7112375480002,"?"]
[1910,"OC(=O)C1=CC=CC(=N1)C(O)=O","499-83-2","O=C(O)c1cccc(C(=O)O)n1","O=C(O)c1nc(ccc1)C(=O)O",{"$nulls":4},167.02185764,"?"]
[1911,"COP(=S)(OC)OC1=CC=C(C(Cl)=C1)[N+]([O-])=O","500-28-7","COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(Cl)c1","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])Cl",{"$nulls":4},296.9627576980002,"?"]
[1912,"C[CH]1C[CH](CC(C)(C)N1)OC(=O)C1=CC=CC=C1","500-34-5","CC1CC(OC(=O)c2ccccc2)CC(C)(C)N1","CC1NC(CC(C1)OC(=O)c2ccccc2)(C)C",{"$nulls":4},247.157228912,"?"]
[1913,"OC(=O)C(=O)NC1=CC=CC=C1","500-72-1","O=C(O)C(=O)Nc1ccccc1","O=C(O)C(=O)Nc1ccccc1",{"$nulls":4},165.042593084,"?"]
[1914,"OC(=O)CNC(=O)CC1=CC=CC=C1","500-98-1","O=C(O)CNC(=O)Cc1ccccc1","O=C(O)CNC(=O)Cc1ccccc1",{"$nulls":4},193.073893212,"?"]
[1915,"OC(=O)CCC1=CC=CC=C1","501-52-0","O=C(O)CCc1ccccc1","O=C(O)CCc1ccccc1",{"$nulls":4},150.06807956,"?"]
[1916,"ClCCC(=O)NCC1=CC=CC=C1","501-68-8","O=C(CCCl)NCc1ccccc1","O=C(CCCl)NCc1ccccc1",{"$nulls":4},197.060741684,"?"]
[1917,"OC(=O)CC1=CC=C(C=C1)C(O)=O","501-89-3","O=C(O)Cc1ccc(C(=O)O)cc1","O=C(O)Cc1ccc(cc1)C(=O)O",{"$nulls":4},180.042258736,"?"]
[1918,"C[Hg]NC(=N)NC#N","502-39-6","C[Hg]NC(=N)NC#N","C[Hg]NC(=N)NC#N",{"$nulls":4},300.0298891920002,"?"]
[1919,"OC(=O)C=CC(O)=NC(O)=N","502-45-4","N=C(O)N=C(O)C=CC(=O)O","N=C(O)N=C(O)C=CC(=O)O",{"$nulls":4},158.032756672,"?"]
[1920,"OC(=O)C1C=COC1=O","502-51-2","O=C(O)C1C=COC1=O","O=C(O)C1C(OC=C1)=O",{"$nulls":4},128.010958608,"?"]
[1921,"CCOC(=S)SSC(=S)OCC","502-55-6","CCOC(=S)SSC(=S)OCC","CCOC(=S)SSC(=S)OCC",{"$nulls":4},241.95636356,"?"]
[1922,"CCCCC(=O)CCCC","502-56-7","CCCCC(=O)CCCC","CCCCC(=O)CCCC",{"$nulls":4},142.135765196,"?"]
[1923,"C1COC1","503-30-0","C1COC1","C1COC1",{"$nulls":4},58.041864812,"?"]
[1924,"OS(=O)(=O)CS(O)(=O)=O","503-40-2","O=S(=O)(O)CS(=O)(=O)O","O=S(=O)(O)CS(=O)(=O)O",{"$nulls":4},175.94492984800002,"?"]
[1925,"CC=CC(O)=O","503-64-0","CC=CC(=O)O","CC=CC(=O)O",{"$nulls":4},86.036779432,"?"]
[1926,"CC(C)CC(O)=O","503-74-2","CC(C)CC(=O)O","CC(C)CC(=O)O",{"$nulls":4},102.06807956,"?"]
[1927,"NC1=CC=NC=C1","504-24-5","Nc1ccncc1","Nc1ccncc1",{"$nulls":4},94.053098192,"?"]
[1928,"NC1=CC=CC=N1","504-29-0","Nc1ccccn1","Nc1ncccc1",{"$nulls":4},94.053098192,"?"]
[1929,"C1CSCCS1","505-29-3","C1CSCCS1","C1SCCSC1",{"$nulls":4},120.006742256,"?"]
[1930,"CS(=O)(=O)CCCN=C=S","505-34-0","CS(=O)(=O)CCCN=C=S","CS(=O)(=O)CCCN=C=S",{"$nulls":4},179.007470528,"?"]
[1931,"OC(=O)CCCCCCC(O)=O","505-48-6","O=C(O)CCCCCCC(=O)O","O=C(O)CCCCCCC(=O)O",{"$nulls":4},174.089208928,"?"]
[1932,"OC(=O)CCCCCCCCCCCC(O)=O","505-52-2","O=C(O)CCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCC(=O)O",{"$nulls":4},244.167459248,"?"]
[1933,"ClCCSCCCl","505-60-2","ClCCSCCCl","ClCCSCCCl",{"$nulls":4},157.972376616,"?"]
[1934,"OC(=O)C=CC=CC(O)=O","505-70-4","O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O",{"$nulls":4},142.026608672,"?"]
[1935,null,"505-72-6",{"$nulls":7},""]
[1936,"OCCC=C=CC#CC#C","505-97-5","C#CC#CC=C=CCCO","C#CC#CC=C=CCCO",{"$nulls":4},132.057514876,"?"]
[1937,"ClC#N","506-77-4","N#CCl","N#CCl",{"$nulls":4},60.971926679999996,"?"]
[1938,"IC#N","506-78-5","N#CI","N#CI",{"$nulls":4},152.907547,"?"]
[1939,"CC(C)(C)Br","507-19-7","CC(C)(C)Br","CC(C)(C)Br",{"$nulls":4},135.988762388,"?"]
[1940,"CC(C)(C)Cl","507-20-0","CC(C)(C)Cl","CC(C)(C)Cl",{"$nulls":4},92.039277968,"?"]
[1941,"CC1(C)[CH]2CC[C]1(C)[CH](O)C2","507-70-0","CC1(C)C2CCC1(C)C(O)C2","CC1(C2(CCC1CC2O)C)C",{"$nulls":4},154.135765196,"?"]
[1942,"CC(C)(C(O)=O)C(C)(CC(O)=O)C(O)=O","508-34-9","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O",{"$nulls":4},218.079038168,"?"]
[1943,"[H][C]12CC[C](O)(C(=O)COC(=O)CC(C)(C)C)[C]1(C)C[CH](O)[C]1([H])[C]2([H])CCC2=CC(=O)CC[C]12C","508-96-3","CC(C)(C)CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C","CC(C)(C)CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O",{"$nulls":4},460.2824890000011,"?"]
[1944,"[O-][N+](=O)C([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O","509-14-8","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},195.97161296000002,"Errors in neutralization"]
[1945,"CN1CC[C]23[CH]4OC5=C(OCCN6CCOCC6)C=CC(C[CH]1[CH]2C=C[CH]4O)=C35","509-67-1","CN1CCC23c4c5ccc(OCCN6CCOCC6)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5OCCN6CCOCC6)C(O)C=C3",{"$nulls":4},398.22055744000085,"?"]
[1946,"CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1","509-86-4","CCC1(C2=CCCCCC2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCCC2",{"$nulls":4},250.131742436,"?"]
[1947,"CCC1(N2CCCCC2)C(=O)NC(=O)NC1=O","509-87-5","CCC1(N2CCCCC2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)N2CCCCC2",{"$nulls":4},239.126991404,"?"]
[1948,"CCOC(=O)C(O)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1","510-15-6","CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1","CCOC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl",{"$nulls":4},324.03199966800037,"?"]
[1949,"CCC(CC)(C(O)=O)C(O)=O","510-20-3","CCC(CC)(C(=O)O)C(=O)O","CCC(CC)(C(=O)O)C(=O)O",{"$nulls":4},160.073558864,"?"]
[1950,"CCC(Br)(CC)C(N)=O","511-70-6","CCC(Br)(CC)C(N)=O","CCC(Br)(CC)C(N)=O",{"$nulls":4},193.010226104,"?"]
[1951,"[H][C]12C[C]3([H])[C]4([H])CC=C5C[CH](O)CC[C]5(C)[C]4([H])CC[C]3(C)[C]1([H])[CH](C)[C]1(CC[CH](C)CO1)O2","512-04-9","CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C","CC1COC2(CC1)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C",{"$nulls":4},414.313395204001,"?"]
[1952,"COP(=O)(OC)OC","512-56-1","COP(=O)(OC)OC","COP(=O)(OC)OC",{"$nulls":4},140.02384539800002,"?"]
[1953,null,"512-60-7",{"$nulls":7},""]
[1954,"OC[CH]1O[C](CO)(O[CH]2O[CH](CO[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O","512-69-6","OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O",{"$nulls":4},504.1690349440007,"?"]
[1955,"CCCOP(=O)(OCCC)OCCC","513-08-6","CCCOP(=O)(OCCC)OCCC","CCCOP(=O)(OCCC)OCCC",{"$nulls":4},224.117745782,"?"]
[1956,"CC=C(C)C","513-35-9","CC=C(C)C","CC=C(C)C",{"$nulls":4},70.07825032,"?"]
[1957,"CC(C)CCl","513-36-0","CC(C)CCl","CC(C)CCl",{"$nulls":4},92.039277968,"?"]
[1958,"CC(C)=CCl","513-37-1","CC(C)=CCl","CC(C)=CCl",{"$nulls":4},90.023627904,"?"]
[1959,"CC(=C)CO","513-42-8","C=C(C)CO","C=C(C)CO",{"$nulls":4},72.057514876,"?"]
[1960,"CCC(C)I","513-48-4","CCC(C)I","CCC(C)I",{"$nulls":4},183.974898288,"?"]
[1961,"CCC(C)S","513-53-1","CCC(C)S","CCC(C)S",{"$nulls":4},90.05032132,"?"]
[1962,"CC(=C)C(C)=C","513-81-5","C=C(C)C(=C)C","C=C(C)C(=C)C",{"$nulls":4},82.07825032,"?"]
[1963,"CC(O)C(C)O","513-85-9","CC(O)C(C)O","CC(O)C(C)O",{"$nulls":4},90.06807956,"?"]
[1964,"CC(O)C(C)=O","513-86-0","CC(=O)C(C)O","CC(=O)C(C)O",{"$nulls":4},88.052429496,"?"]
[1965,"CC(C)C1=CC2=CC[CH]3[C](C)(CCC[C]3(C)C(O)=O)[CH]2CC1","514-10-3","CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1","CC(C)C=1CCC2C(C1)=CCC3C2(CCCC3(C)C(=O)O)C",{"$nulls":4},302.22458020000084,"?"]
[1966,null,"514-17-0",{"$nulls":7},""]
[1967,"CC(O)(C(O)=O)C1=CC=CC=C1","515-30-0","CC(O)(C(=O)O)c1ccccc1","CC(O)(C(=O)O)c1ccccc1",{"$nulls":4},166.06299418,"?"]
[1968,"CCOS(=O)(=O)C1=CC=CC=C1","515-46-8","CCOS(=O)(=O)c1ccccc1","CCOS(=O)(=O)c1ccccc1",{"$nulls":4},186.03506518,"?"]
[1969,"NC(=S)NS(=O)(=O)C1=CC=C(N)C=C1","515-49-1","NC(=S)NS(=O)(=O)c1ccc(N)cc1","NC(=S)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},231.013618528,"?"]
[1970,"CC1=CSC(NS(=O)(=O)C2=CC=C(N)C=C2)=N1","515-59-3","Cc1csc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(sc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},269.02926859200034,"?"]
[1971,"CC1=NC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1","515-64-0","Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1","Cc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C",{"$nulls":4},278.08374668800036,"?"]
[1972,"CC(C(O)=O)C(O)=O","516-05-2","CC(C(=O)O)C(=O)O","CC(C(=O)O)C(=O)O",{"$nulls":4},118.02660867200001,"?"]
[1973,null,"516-06-3",{"$nulls":7},""]
[1974,"C[C]12CCC3=C(C=CC4=CC(O)=CC=C34)[CH]1CCC2=O","517-09-9","CC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O","CC12C(c3c(CC1)c4c(cc3)cc(O)cc4)CCC2=O",{"$nulls":4},266.1306798160003,"?"]
[1975,"CC(=O)C1CCOC1=O","517-23-7","CC(=O)C1CCOC1=O","CC(=O)C1C(OCC1)=O",{"$nulls":4},128.047344116,"?"]
[1976,null,"517-40-8",{"$nulls":7},""]
[1977,"COC1=CC(=CC(OC)=C1OC)[CH]1[CH]2[CH](COC2=O)CC2=C(O)C3=C(OCO3)C=C12","518-29-6","COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1OC","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)OC",{"$nulls":4},414.1314676640006,"?"]
[1978,null,"518-45-6",{"$nulls":7},""]
[1979,null,"519-05-1",{"$nulls":7},""]
[1980,"OC1=CC(O)=C(C(=O)C2=CC(O)=C(O)C=C2)C(O)=C1","519-34-6","O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O","O=C(c1cc(c(cc1)O)O)c2c(cc(cc2O)O)O",{"$nulls":4},262.0477380400002,"?"]
[1981,"CN(C)C(=O)C(=O)N(N(C)C(C)=O)C1=CC=CC=C1","519-65-3","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1",{"$nulls":4},263.1269914040002,"?"]
[1982,"[H][C]12CC[CH](O)[C]1(C)CC[C]1([H])[C]2([H])CC[C]2([H])CC(=O)CC[C]12C","521-18-6","CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC(=O)CC4)C)CCC2O",{"$nulls":4},290.22458020000073,"?"]
[1983,"OC1=C2N=CC=CC2=C(Br)C=C1Br","521-74-4","Oc1c(Br)cc(Br)c2cccnc12","Oc1c2c(c(cc1Br)Br)cccn2",{"$nulls":4},300.87378798000015,"?"]
[1984,"CC[CH]1CN2CC[CH]1C[CH]2[CH](O)C1=C2C=C(OC)C=CC2=NC=C1","522-66-7","CCC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",{"$nulls":4},326.1994280720008,"?"]
[1985,"Cl.Cl.CC1=C(O)C(CN)=C(CO)C=N1","524-36-7","Cc1ncc(CO)c(CN)c1O","Cc1c(c(c(cn1)CO)CN)O","Cl","Cl",null,null,240.043233048,"?"]
[1986,"COC1=C(C#N)C(=O)N(C)C=C1","524-40-3","COc1ccn(C)c(=O)c1C#N","COc1c(c(n(cc1)C)=O)C#N",{"$nulls":4},164.058577496,"?"]
[1987,"OS(=O)(=O)C1=CC2=C(C=C1)C(=CC=C2)S(O)(=O)=O","525-37-1","O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cccc2c1","O=S(=O)(O)c1cc2c(cc1)c(S(=O)(=O)O)ccc2",{"$nulls":4},287.9762299760002,"?"]
[1988,"CC(C)NCC(O)COC1=C2C=CC=CC2=CC=C1","525-66-6","CC(C)NCC(O)COc1cccc2ccccc12","CC(C)NCC(O)COc1c2c(ccc1)cccc2",{"$nulls":4},259.1572289120001,"?"]
[1989,"NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=NN1C1=CC=CC=C1","526-08-9","Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2n(ncc2)-c3ccccc3",{"$nulls":4},314.08374668800036,"?"]
[1990,null,"526-30-7",{"$nulls":7},""]
[1991,"CC1=CC=CC(C)=C1C","526-73-8","Cc1cccc(C)c1C","Cc1c(c(ccc1)C)C",{"$nulls":4},120.093900384,"?"]
[1992,"CC1=C(C)C(O)=CC=C1","526-75-0","Cc1cccc(O)c1C","Cc1c(c(ccc1)O)C",{"$nulls":4},122.07316494,"?"]
[1993,null,"526-83-0",{"$nulls":7},""]
[1994,"OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O","526-95-4","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO",{"$nulls":4},196.05830272400001,"?"]
[1995,"O[CH]([CH](O)[CH](O)C(O)=O)[CH](O)C(O)=O","526-99-8","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",{"$nulls":4},210.03756728000002,"?"]
[1996,null,"527-00-4",{"$nulls":7},""]
[1997,null,"527-06-0",{"$nulls":7},""]
[1998,"[Na+].OC[CH](O)[CH](O)[CH](O)[CH](O)C([O-])=O","527-07-1","O=C([O-])C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","[Na+]",{"$nulls":3},218.040246972,"Structure has been neutralized"]
[1999,"[Cu++].OC[CH](O)[CH](O)[CH](O)[CH](O)C([O-])=O.OC[CH](O)[CH](O)[CH](O)[CH](O)C([O-])=O","527-09-3","O=C([O-])C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C([O-])=O","[Cu+2]",null,null,453.03055288400003,"Structure has been neutralized"]
[2000,"CC1=CC(C)=C(O)C(C)=C1","527-60-6","Cc1cc(C)c(O)c(C)c1","Cc1cc(c(c(c1)C)O)C",{"$nulls":4},136.088815004,"?"]
[2001,"OC(=O)C1=CC=CS1","527-72-0","O=C(O)c1cccs1","O=C(O)c1sccc1",{"$nulls":4},127.993200368,"?"]
[2002,"CC(C)C1=C(C)C=CC=C1","527-84-4","Cc1ccccc1C(C)C","Cc1c(cccc1)C(C)C",{"$nulls":4},134.109550448,"?"]
[2003,"OC1=C(C=C(C=C1)N(=O)=O)C(=O)C(=O)C1=C(O)C=CC(=C1)N(=O)=O","528-10-9","O=C(C(=O)c1cc([N+](=O)[O-])ccc1O)c1cc([N+](=O)[O-])ccc1O","O=C(C(=O)c1c(ccc(c1)[N+](=O)[O-])O)c2c(ccc(c2)[N+](=O)[O-])O",{"$nulls":4},332.02806521600024,"?"]
[2004,"CC(=O)C1=C(O)C(O)=C(O)C=C1","528-21-2","CC(=O)c1ccc(O)c(O)c1O","CC(=O)c1c(c(c(cc1)O)O)O",{"$nulls":4},168.042258736,"?"]
[2005,"[O-][N+](=O)C1=C(C=CC=C1)[N+]([O-])=O","528-29-0","O=[N+]([O-])c1ccccc1[N+](=O)[O-]","O=[N+]([O-])c1c(cccc1)[N+](=O)[O-]",{"$nulls":4},168.017106608,"?"]
[2006,"OC(=O)C1=CC(C(O)=O)=C(C=C1)C(O)=O","528-44-9","O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1","O=C(O)c1cc(c(cc1)C(=O)O)C(=O)O",{"$nulls":4},210.01643791200001,"?"]
[2007,"OC(=O)C1=CC(=C(C=C1)[N+]([O-])=O)[N+]([O-])=O","528-45-0","O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},212.006935848,"?"]
[2008,"OC(=O)C(=O)C1=CC=CC=C1C(O)=O","528-46-1","O=C(O)C(=O)c1ccccc1C(=O)O","O=C(O)C(=O)c1c(cccc1)C(=O)O",{"$nulls":4},194.02152329199998,"?"]
[2009,"[H][C](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)([CH](O)CO)[CH](O)[CH](O)C=O","528-50-7","O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO","O=CC(O)C(O)C(OC1C(C(C(C(O1)CO)O)O)O)C(O)CO",{"$nulls":4},342.11621152400056,"?"]
[2010,null,"528-92-7",{"$nulls":7},""]
[2011,null,"529-37-3",{"$nulls":7},""]
[2012,null,"529-64-6",{"$nulls":7},""]
[2013,"OC1=C2C=CC=CC2=CC2=CC=CC=C12","529-86-2","Oc1c2ccccc2cc2ccccc12","Oc1c2c(cc3c1cccc3)cccc2",{"$nulls":4},194.07316494,"?"]
[2014,null,"530-14-3",{"$nulls":7},""]
[2015,"C=C(C1=CC=CC=C1)C1=CC=CC=C1","530-48-3","C=C(c1ccccc1)c1ccccc1","C=C(c1ccccc1)c2ccccc2",{"$nulls":4},180.093900384,"?"]
[2016,"OC(=O)C1=C(NC2=CC(=CC=C2)C(F)(F)F)C=CC=C1","530-78-9","O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1","O=C(O)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F",{"$nulls":4},281.0663632200003,"?"]
[2017,"ON=C1CCCCCC1=NO","530-97-2","ON=C1CCCCCC1=NO","ON=C1C(CCCCC1)=NO",{"$nulls":4},156.089877624,"?"]
[2018,"COC1=CC=C2C=CC(=O)OC2=C1","531-59-9","COc1ccc2ccc(=O)oc2c1","COc1cc2c(cc1)ccc(=O)o2",{"$nulls":4},176.047344116,"?"]
[2019,"OC(=O)C1=CC2=CC=CC=C2OC1=O","531-81-7","O=C(O)c1cc2ccccc2oc1=O","O=C(O)c1c(oc2c(c1)cccc2)=O",{"$nulls":4},190.026608672,"?"]
[2020,"COC1=CC=CC=C1OCC(O)COC(N)=O","532-03-6","COc1ccccc1OCC(O)COC(N)=O","COc1c(cccc1)OCC(O)COC(N)=O",{"$nulls":4},241.09502258,"?"]
[2021,"[Na+].[O-]C(=O)C1=CC=CC=C1","532-32-1","O=C([O-])c1ccccc1","O=C(O)c1ccccc1","[Na+]",{"$nulls":3},144.01872368,"Structure has been neutralized"]
[2022,"Cl.NC1=CC=C(N=NC2=CC=CC=C2)C(N)=C1","532-82-1","Nc1ccc(N=Nc2ccccc2)c(N)c1","Nc1cc(c(cc1)N=Nc2ccccc2)N","C.I","Cl",null,null,392.026472256,"?"]
[2023,"CC(=O)NC1=C(Cl)C=CC=C1","533-17-5","CC(=O)Nc1ccccc1Cl","CC(=O)Nc1c(cccc1)Cl",{"$nulls":4},169.029441556,"?"]
[2024,"CCOC(=O)COC1=C(Cl)C=C(Cl)C=C1","533-23-3","CCOC(=O)COc1ccc(Cl)cc1Cl","CCOC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},248.00069954,"?"]
[2025,"CCCCCC1=C(O)C=C(O)C=C1","533-24-4","CCCCCc1ccc(O)cc1O","CCCCCc1c(cc(cc1)O)O",{"$nulls":4},180.115029752,"?"]
[2026,"CCN(CC)C(=O)CC(C)C","533-32-4","CCN(CC)C(=O)CC(C)C","CCN(CC)C(=O)CC(C)C",{"$nulls":4},157.146664228,"?"]
[2027,"CN1CSC(=S)N(C)C1","533-74-4","CN1CSC(=S)N(C)C1","CN1CN(C(SC1)=S)C",{"$nulls":4},162.02854032,"?"]
[2028,"OC(CI)CI","534-08-7","OC(CI)CI","OC(CI)CI",{"$nulls":4},311.8508108120002,"?"]
[2029,"CNC(=S)NC","534-13-4","CNC(=S)NC","CNC(=S)NC",{"$nulls":4},104.04081925599999,"?"]
[2030,"COC(C)OC","534-15-6","COC(C)OC","COC(C)OC",{"$nulls":4},90.06807956,"?"]
[2031,"CC1=CC=CO1","534-22-5","Cc1ccco1","Cc1occc1",{"$nulls":4},82.041864812,"?"]
[2032,"CC1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O","534-52-1","Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","Cc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",{"$nulls":4},198.027671292,"?"]
[2033,null,"534-59-8",{"$nulls":7},""]
[2034,"CC(C)(C)C1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)S1","535-65-9","CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CC(C)(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},312.07146775200044,"?"]
[2035,"CC(C)C1=CC(C)=CC=C1","535-77-3","Cc1cccc(C(C)C)c1","Cc1cc(ccc1)C(C)C",{"$nulls":4},134.109550448,"?"]
[2036,"OC(=O)C1=CC=CC(Cl)=C1","535-80-8","O=C(O)c1cccc(Cl)c1","O=C(O)c1cc(ccc1)Cl",{"$nulls":4},155.99780708,"?"]
[2037,"NC1=CC(=CC(N)=C1)C(O)=O","535-87-5","Nc1cc(N)cc(C(=O)O)c1","Nc1cc(cc(c1)N)C(=O)O",{"$nulls":4},152.058577496,"?"]
[2038,"CN(C)C1=CC(C)=NC(Cl)=N1","535-89-7","Cc1cc(N(C)C)nc(Cl)n1","Cc1nc(nc(c1)N(C)C)Cl",{"$nulls":4},171.056325,"?"]
[2039,null,"536-08-3",{"$nulls":7},""]
[2040,"CC(C)C1=CC=C(C=C1)C(O)=O","536-66-3","CC(C)c1ccc(C(=O)O)cc1","CC(C)c1ccc(cc1)C(=O)O",{"$nulls":4},164.083729624,"?"]
[2041,"C#CC1=CC=CC=C1","536-74-3","C#Cc1ccccc1","C#Cc1ccccc1",{"$nulls":4},102.046950192,"?"]
[2042,"CCC1=CC=NC=C1","536-75-4","CCc1ccncc1","CCc1ccncc1",{"$nulls":4},107.073499288,"?"]
[2043,"CCC1=CC=CN=C1","536-78-7","CCc1cccnc1","CCc1cnccc1",{"$nulls":4},107.073499288,"?"]
[2044,"O=[I]C1=CC=CC=C1","536-80-1","O=[IH2]c1ccccc1","O=Ic1ccccc1",{"$nulls":4},219.93851278,"?"]
[2045,null,"537-26-8",{"$nulls":7},""]
[2046,"ClN=C1C=C(Br)C(=O)C(Br)=C1","537-45-1","O=C1C(Br)=CC(=NCl)C=C1Br","O=C1C(=CC(C=C1Br)=NCl)Br",{"$nulls":4},296.81916556400006,"?"]
[2047,"NNC(=O)NC1=CC=CC=C1","537-47-3","NNC(=O)Nc1ccccc1","NNC(=O)Nc1ccccc1",{"$nulls":4},151.074561908,"?"]
[2048,"CN[CH](CC1=CC=C(O)C=C1)C(O)=O","537-49-5","CNC(Cc1ccc(O)cc1)C(=O)O","CNC(Cc1ccc(cc1)O)C(=O)O",{"$nulls":4},195.089543276,"?"]
[2049,"CC(=O)NC1=CC=CC(C)=C1","537-92-8","CC(=O)Nc1cccc(C)c1","CC(=O)Nc1cc(ccc1)C",{"$nulls":4},149.084063972,"?"]
[2050,"CCN(CCCl)CCCl","538-07-8","CCN(CCCl)CCCl","CCN(CCCl)CCCl",{"$nulls":4},169.042504776,"?"]
[2051,"NC(=O)NCC1=CC=CC=C1","538-32-9","NC(=O)NCc1ccccc1","NC(=O)NCc1ccccc1",{"$nulls":4},150.07931294,"?"]
[2052,"CCCCOC(=O)C=CC1=CC=CC=C1","538-65-8","CCCCOC(=O)C=Cc1ccccc1","CCCCOC(=O)C=Cc1ccccc1",{"$nulls":4},204.115029752,"?"]
[2053,"CCCCCC1=CC=CC=C1","538-68-1","CCCCCc1ccccc1","CCCCCc1ccccc1",{"$nulls":4},148.125200512,"?"]
[2054,"COCC1=CC=CC=C1","538-86-3","COCc1ccccc1","COCc1ccccc1",{"$nulls":4},122.07316494,"?"]
[2055,"CC(C)CC1=CC=CC=C1","538-93-2","CC(C)Cc1ccccc1","CC(C)Cc1ccccc1",{"$nulls":4},134.109550448,"?"]
[2056,"CC(=O)NC1=CC=C(Cl)C=C1","539-03-7","CC(=O)Nc1ccc(Cl)cc1","CC(=O)Nc1ccc(cc1)Cl",{"$nulls":4},169.029441556,"?"]
[2057,"CN(C)CCC1=CC=C(O)C=C1","539-15-1","CN(C)CCc1ccc(O)cc1","CN(C)CCc1ccc(cc1)O",{"$nulls":4},165.1153641,"?"]
[2058,"CN(C)C1=CC=C(C=C1)N=NC1=CC=C(N)C=C1","539-17-3","CN(C)c1ccc(N=Nc2ccc(N)cc2)cc1","CN(C)c1ccc(cc1)N=Nc2ccc(cc2)N","C.I",{"$nulls":3},384.08109467199995,"?"]
[2059,"OC(=O)C=CC1=CC=CO1","539-47-9","O=C(O)C=Cc1ccco1","O=C(O)C=Cc1occc1",{"$nulls":4},138.031694052,"?"]
[2060,"CCCCC(=O)OCC","539-82-2","CCCCC(=O)OCC","CCCCC(=O)OCC",{"$nulls":4},130.099379688,"?"]
[2061,"C=CCSS(=O)CC=C","539-86-6","C=CCSS(=O)CC=C","C=CCSS(=O)CC=C",{"$nulls":4},162.01730694,"?"]
[2062,"CCOC(=O)NCC(C)C","539-89-9","CCOC(=O)NCC(C)C","CCOC(=O)NCC(C)C",{"$nulls":4},145.11027872,"?"]
[2063,"CCCCCOC(=O)CCC","540-18-1","CCCCCOC(=O)CCC","CCCCCOC(=O)CCC",{"$nulls":4},158.130679816,"?"]
[2064,"FC1=CC=C(F)C=C1","540-36-3","Fc1ccc(F)cc1","Fc1ccc(cc1)F",{"$nulls":4},114.028106568,"?"]
[2065,"CCC(=O)OCC(C)C","540-42-1","CCC(=O)OCC(C)C","CCC(=O)OCC(C)C",{"$nulls":4},130.099379688,"?"]
[2066,"COC1CC1","540-47-6","COC1CC1","COC1CC1",{"$nulls":4},72.057514876,"?"]
[2067,"BrC=CBr","540-49-8","BrC=CBr","BrC=CBr",{"$nulls":4},183.852324264,"?"]
[2068,"OCCBr","540-51-2","OCCBr","OCCBr",{"$nulls":4},123.95237688,"?"]
[2069,"CCCCl","540-54-5","CCCCl","CCCCl",{"$nulls":4},78.023627904,"?"]
[2070,"ClC=CCl","540-59-0","ClC=CCl","ClC=CCl",{"$nulls":4},95.953355424,"?"]
[2071,"CCOC","540-67-0","CCOC","CCOC",{"$nulls":4},60.057514876,"?"]
[2072,"CNNC","540-73-8","CNNC","CNNC",{"$nulls":4},60.06874825599999,"?"]
[2073,"CC(C)CC(C)(C)C","540-84-1","CC(C)CC(C)(C)C","CC(C)CC(C)(C)C",{"$nulls":4},114.14085057599999,"?"]
[2074,"CC(=O)OC(C)(C)C","540-88-5","CC(=O)OC(C)(C)C","CC(=O)OC(C)(C)C",{"$nulls":4},116.083729624,"?"]
[2075,"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","540-97-6","C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C",{"$nulls":4},444.11274805200094,"?"]
[2076,"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","541-02-6","C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C",{"$nulls":4},370.0939567100008,"?"]
[2077,"CC(=O)O[U](=O)(=O)OC(C)=O","541-09-3","CC(=O)O[U](=O)(=O)OC(C)=O","CC(=O)O[U](=O)(=O)OC(C)=O",{"$nulls":4},388.06722611200007,"Errors in neutralization"]
[2078,"ClC=C[As](Cl)Cl","541-25-3","ClC=C[As](Cl)Cl","ClC=C[As](Cl)Cl",{"$nulls":4},205.843804604,"Errors in neutralization"]
[2079,"CCCC(Cl)Cl","541-33-3","CCCC(Cl)Cl","CCCC(Cl)Cl",{"$nulls":4},126.00030561599999,"?"]
[2080,"CCCC(N)=O","541-35-5","CCCC(N)=O","CCCC(N)=O",{"$nulls":4},87.068413908,"?"]
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[2082,"CC(N)CC(O)=O","541-48-0","CC(N)CC(=O)O","CC(N)CC(=O)O",{"$nulls":4},103.063328528,"?"]
[2083,"CC(=O)CC(O)=O","541-50-4","CC(=O)CC(=O)O","CC(=O)CC(=O)O",{"$nulls":4},102.031694052,"?"]
[2084,"NC(=S)NC(N)=S","541-53-7","NC(=S)NC(N)=S","NC(=S)NC(N)=S",{"$nulls":4},134.99248916,"?"]
[2085,"ClC1=CC(Cl)=CC=C1","541-73-1","Clc1cccc(Cl)c1","Clc1cc(ccc1)Cl",{"$nulls":4},145.969005488,"?"]
[2086,"CC(N=C(O)C=CC(O)=O)C(O)=O","541-89-9","CC(N=C(O)C=CC(=O)O)C(=O)O","CC(N=C(O)C=CC(=O)O)C(=O)O",{"$nulls":4},187.048072388,"?"]
[2087,null,"541-95-7",{"$nulls":7},""]
[2088,"CC1=CC(=O)CC(=O)O1","541-98-0","CC1=CC(=O)CC(=O)O1","CC=1OC(CC(C1)=O)=O",{"$nulls":4},126.031694052,"?"]
[2089,"ClC1CCCCC1","542-18-7","ClC1CCCCC1","ClC1CCCCC1",{"$nulls":4},118.05492803199999,"?"]
[2090,"NC(CCCC(O)=O)C(O)=O","542-32-5","NC(CCCC(=O)O)C(=O)O","NC(CCCC(=O)O)C(=O)O",{"$nulls":4},161.068807832,"?"]
[2091,"CC(C)COC=O","542-55-2","CC(C)COC=O","CC(C)COC=O",{"$nulls":4},102.06807956,"?"]
[2092,"CCCCI","542-69-8","CCCCI","CCCCI",{"$nulls":4},183.974898288,"?"]
[2093,"ClCC=CCl","542-75-6","ClC=CCCl","ClC=CCCl",{"$nulls":4},109.969005488,"?"]
[2094,"ClCOCCl","542-88-1","ClCOCCl","ClCOCCl",{"$nulls":4},113.963920108,"?"]
[2095,"C1C=CC=C1","542-92-7","C1=CCC=C1","C=1C=CCC1",{"$nulls":4},66.046950192,"?"]
[2096,"NC(N)=NCCS(O)(=O)=O","543-18-0","NC(N)=NCCS(=O)(=O)O","NC(N)=NCCS(=O)(=O)O",{"$nulls":4},167.036462148,"?"]
[2097,"CC(=O)NCC(O)=O","543-24-8","CC(=O)NCC(=O)O","CC(=O)NCC(=O)O",{"$nulls":4},117.042593084,"?"]
[2098,"CC(C)COC(N)=O","543-28-2","CC(C)COC(N)=O","CC(C)COC(N)=O",{"$nulls":4},117.078978592,"?"]
[2099,"CC(C)CO[N+]([O-])=O","543-29-3","CC(C)CO[N+](=O)[O-]","CC(C)CO[N+](=O)[O-]",{"$nulls":4},119.058243148,"?"]
[2100,"CCCCCC(C)O","543-49-7","CCCCCC(C)O","CCCCCC(C)O",{"$nulls":4},116.120115132,"?"]
[2101,"CCCCCCl","543-59-9","CCCCCCl","CCCCCCl",{"$nulls":4},106.05492803199999,"?"]
[2102,"[Ba++].CC([O-])=O.CC([O-])=O","543-80-6","[Ba+2]","[Ba+2]","CC([O-])=O","CC([O-])=O",null,null,255.931855872,"?"]
[2103,null,"543-86-2",{"$nulls":7},""]
[2104,"CC(C)CCO[N+]([O-])=O","543-87-3","CC(C)CCO[N+](=O)[O-]","CC(C)CCO[N+](=O)[O-]",{"$nulls":4},133.073893212,"?"]
[2105,"[Sr++].CC([O-])=O.CC([O-])=O","543-94-2","[Sr+2]","[Sr+2]","CC([O-])=O","CC([O-])=O",null,null,205.93222077200002,"?"]
[2106,"CC(C)CCOCCC(C)C","544-01-4","CC(C)CCOCCC(C)C","CC(C)CCOCCC(C)C",{"$nulls":4},158.167065324,"?"]
[2107,"CCCCCCCl","544-10-5","CCCCCCCl","CCCCCCCl",{"$nulls":4},120.07057809599999,"?"]
[2108,"N#CCCCC#N","544-13-8","N#CCCCC#N","N#CCCCC#N",{"$nulls":4},94.053098192,"?"]
[2109,"C1C=CC=CC=C1","544-25-2","C1=CC=CCC=C1","C=1C=CCC=CC1",{"$nulls":4},92.062600256,"?"]
[2110,"CCCCCCCCCCCCCC(O)=O","544-63-8","CCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCC(=O)O",{"$nulls":4},228.208930136,"?"]
[2111,"CCCCCCCCCCCCCCCC","544-76-3","CCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCC",{"$nulls":4},226.26605108799998,"?"]
[2112,"NC(=O)NS(=O)(=O)C1=CC=C(N)C=C1","547-44-4","NC(=O)NS(=O)(=O)c1ccc(N)cc1","NC(=O)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},215.036462148,"?"]
[2113,null,"547-52-4",{"$nulls":7},""]
[2114,"COC(=O)C(C)O","547-64-8","COC(=O)C(C)O","COC(=O)C(C)O",{"$nulls":4},104.047344116,"?"]
[2115,"C=C1CCOC1=O","547-65-9","C=C1CCOC1=O","C=C1C(OCC1)=O",{"$nulls":4},98.036779432,"?"]
[2116,null,"547-75-1",{"$nulls":7},""]
[2117,"CCOC(=O)C(C1=C(O)C2=C(OC1=O)C=CC=C2)C1=C(O)C2=C(OC1=O)C=CC=C2","548-00-5","CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O","CCOC(=O)C(c1c(oc2c(c1O)cccc2)=O)c3c(oc4c(c3O)cccc4)=O",{"$nulls":4},408.0845174720004,"?"]
[2118,null,"548-37-8",{"$nulls":7},""]
[2119,"CC(C)C1=C(O)C(C(O)=O)=C(C)C=C1","548-51-6","Cc1ccc(C(C)C)c(O)c1C(=O)O","Cc1c(c(c(cc1)C(C)C)O)C(=O)O",{"$nulls":4},194.094294308,"?"]
[2120,"O.O.O.O.O.O.O.OS(O)(=O)=O.OS(O)(=O)=O.[H][C]1(C[CH]2CC[N]1C[CH]2C=C)[CH](O)C1=CC=NC2=CC=C(OC)C=C12","549-56-4","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","OS(O)(=O)=O","OS(O)(=O)=O","O","O",646.1924898840007,"?","O"]
[2121,null,"550-23-2",{"$nulls":7},""]
[2122,"CN1C(=O)C=C(N)N(CC(C)=C)C1=O","550-28-7","C=C(C)Cn1c(N)cc(=O)n(C)c1=O","C=C(C)Cn1c(n(c(cc1N)=O)C)=O",{"$nulls":4},195.100776656,"?"]
[2123,null,"550-33-4",{"$nulls":7},""]
[2124,"OC1=C(C2=CC=CC=C2C=C1)[N+]([O-])=O","550-60-7","O=[N+]([O-])c1c(O)ccc2ccccc12","O=[N+]([O-])c1c2c(ccc1O)cccc2",{"$nulls":4},189.042593084,"?"]
[2125,"CC1=NN(C(=O)C1[N+]([O-])=O)C1=CC=C(C=C1)[N+]([O-])=O","550-74-3","CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1[N+](=O)[O-]","CC=1C(C(N(N1)c2ccc(cc2)[N+](=O)[O-])=O)[N+](=O)[O-]",{"$nulls":4},264.0494693560002,"?"]
[2126,"S=C=NC1=CC=CC2=CC=CC=C12","551-06-4","S=C=Nc1cccc2ccccc12","S=C=Nc1c2c(ccc1)cccc2",{"$nulls":4},185.029920224,"?"]
[2127,"NCCNC1=C2C=CC=CC2=CC=C1","551-09-7","NCCNc1cccc2ccccc12","NCCNc1c2c(ccc1)cccc2",{"$nulls":4},186.115698448,"?"]
[2128,"CC1=C(Cl)C(O)=C(Cl)C=C1Cl","551-76-8","Cc1c(Cl)cc(Cl)c(O)c1Cl","Cc1c(c(c(cc1Cl)Cl)O)Cl",{"$nulls":4},209.94059782,"?"]
[2129,"OC(=O)C1=CC=CC=C1[N+]([O-])=O","552-16-9","O=C(O)c1ccccc1[N+](=O)[O-]","O=C(O)c1c(cccc1)[N+](=O)[O-]",{"$nulls":4},167.02185764,"?"]
[2130,"CC(=O)NC1=C(C=CC=C1)[N+]([O-])=O","552-32-9","CC(=O)Nc1ccccc1[N+](=O)[O-]","CC(=O)Nc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},180.053492116,"?"]
[2131,"OC1=CC(O)=C2C(=O)C[CH](OC2=C1)C1=CC(O)=C(O)C=C1","552-58-9","O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21","O=C1c2c(OC(C1)c3cc(c(cc3)O)O)cc(O)cc2O",{"$nulls":4},288.06338810400035,"?"]
[2132,"OCC(C(O)=O)C1=CC=CC=C1","552-63-6","O=C(O)C(CO)c1ccccc1","O=C(O)C(CO)c1ccccc1",{"$nulls":4},166.06299418,"?"]
[2133,null,"552-70-5",{"$nulls":7},""]
[2134,"[O-][N+](=O)C1=C(C=O)C=CC=C1","552-89-6","O=Cc1ccccc1[N+](=O)[O-]","O=Cc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},151.02694302,"?"]
[2135,"C1=CC(=CC=N1)C1=CC=NC=C1","553-26-4","c1cc(-c2ccncc2)ccn1","c1nccc(c1)-c2ccncc2",{"$nulls":4},156.068748256,"?"]
[2136,"NNC(=O)C1=CC=CN=C1","553-53-7","NNC(=O)c1cccnc1","NNC(=O)c1cnccc1",{"$nulls":4},137.058911844,"?"]
[2137,"CCCOC1=C(N)C=C(C=C1)[N+]([O-])=O","553-79-7","CCCOc1ccc([N+](=O)[O-])cc1N","CCCOc1c(cc(cc1)[N+](=O)[O-])N",{"$nulls":4},196.084792244,"?"]
[2138,"COC(=O)C(=O)OC","553-90-2","COC(=O)C(=O)OC","COC(=O)C(=O)OC",{"$nulls":4},118.02660867200001,"?"]
[2139,"NC1=CC=C(Cl)C=C1Cl","554-00-7","Nc1ccc(Cl)cc1Cl","Nc1c(cc(cc1)Cl)Cl",{"$nulls":4},160.97990452,"?"]
[2140,"CC1=C(N)NC(=O)N=C1","554-01-8","Cc1cnc(=O)[nH]c1N","Cc1c([nH]c(nc1)=O)N",{"$nulls":4},125.058911844,"?"]
[2141,"CCC(=O)OC","554-12-1","CCC(=O)OC","CCC(=O)OC",{"$nulls":4},88.052429496,"?"]
[2142,"CN1N=C(SC1=NC(C)=O)S(N)(=O)=O","554-57-4","CC(=O)N=c1sc(S(N)(=O)=O)nn1C","CC(=O)N=c1n(nc(s1)S(N)(=O)=O)C",{"$nulls":4},236.003782116,"?"]
[2143,"OC1=CC=CC(=C1)[N+]([O-])=O","554-84-7","O=[N+]([O-])c1cccc(O)c1","O=[N+]([O-])c1cc(ccc1)O",{"$nulls":4},139.02694302,"?"]
[2144,"OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O","554-95-0","O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O",{"$nulls":4},210.01643791200001,"?"]
[2145,"COC1=CC=CC(=C1)[N+]([O-])=O","555-03-3","COc1cccc([N+](=O)[O-])c1","COc1cc(ccc1)[N+](=O)[O-]",{"$nulls":4},153.042593084,"?"]
[2146,"[O-][N+](=O)C1=CC=C(C=O)C=C1","555-16-8","O=Cc1ccc([N+](=O)[O-])cc1","O=Cc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},151.02694302,"?"]
[2147,"C[C](N)(CC1=CC=C(O)C(O)=C1)C(O)=O","555-30-6","CC(N)(Cc1ccc(O)c(O)c1)C(=O)O","CC(N)(Cc1cc(c(cc1)O)O)C(=O)O",{"$nulls":4},211.084457896,"?"]
[2148,"CCCCN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1","555-37-3","CCCCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CCCCN(C)C(=O)Nc1cc(c(cc1)Cl)Cl",{"$nulls":4},274.0639684920004,"?"]
[2149,"OC(=O)C=CC(O)=NC1=CC=CC=C1","555-59-9","O=C(O)C=CC(O)=Nc1ccccc1","O=C(O)C=CC(O)=Nc1ccccc1",{"$nulls":4},191.058243148,"?"]
[2150,"ClCCN(CCCl)CCCl","555-77-1","ClCCN(CCCl)CCCl","ClCCN(CCCl)CCCl",{"$nulls":4},203.00353242399999,"?"]
[2151,"[O-][N+](=O)C1=CC=C(O1)C=NN1CCNC1=O","555-84-0","O=C1NCCN1N=Cc1ccc([N+](=O)[O-])o1","O=C1N(CCN1)N=Cc2oc(cc2)[N+](=O)[O-]",{"$nulls":4},224.054554736,"?"]
[2152,"NNCC1=CC=CC=C1","555-96-4","NNCc1ccccc1","NNCc1ccccc1",{"$nulls":4},122.08439831999999,"?"]
[2153,"N[CH](CC1=CC=C(O)C=C1)C(O)=O","556-02-5","NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",{"$nulls":4},181.073893212,"?"]
[2154,null,"556-03-6",{"$nulls":7},""]
[2155,"NCC(=O)NCC(=O)NCC(O)=O","556-33-2","NCC(=O)NCC(=O)NCC(=O)O","NCC(=O)NCC(=O)NCC(=O)O",{"$nulls":4},189.074955832,"?"]
[2156,"[Zn++].CCCCC([O-])=O.CCCCC([O-])=O","556-38-7","CCCCC(=O)[O-]","CCCCC(=O)O","CCCCC([O-])=O","[Zn+2]",null,null,266.049651256,"Structure has been neutralized"]
[2157,"NCC(=O)NCC(O)=O","556-50-3","NCC(=O)NCC(=O)O","NCC(=O)NCC(=O)O",{"$nulls":4},132.053492116,"?"]
[2158,"OCC1CO1","556-52-5","OCC1CO1","OCC1OC1",{"$nulls":4},74.036779432,"?"]
[2159,"CN=C=S","556-61-6","CN=C=S","CN=C=S",{"$nulls":4},72.998620096,"?"]
[2160,"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","556-67-2","C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)C",{"$nulls":4},296.0751653680006,"?"]
[2161,"NC(=N)N[N+]([O-])=O","556-88-7","N=C(N)N[N+](=O)[O-]","N=C(N)N[N+](=O)[O-]",{"$nulls":4},104.033425368,"?"]
[2162,"O=C1NC=CC=N1","557-01-7","O=c1nccc[nH]1","O=c1[nH]cccn1",{"$nulls":4},96.032362748,"?"]
[2163,"CCCOC","557-17-5","CCCOC","CCCOC",{"$nulls":4},74.07316494,"?"]
[2164,"CCCC(=O)OCC(O)CO","557-25-5","CCCC(=O)OCC(O)CO","CCCC(=O)OCC(O)CO",{"$nulls":4},162.089208928,"?"]
[2165,"[Zn++].CCC([O-])=O.CCC([O-])=O","557-28-8","CCC(=O)[O-]","CCC(=O)O","CCC([O-])=O","[Zn+2]",null,null,209.987051,"Structure has been neutralized"]
[2166,"[Zn++].CC([O-])=O.CC([O-])=O","557-34-6","[Zn+2]","[Zn+2]","CC([O-])=O","CC([O-])=O",null,null,181.955750872,"?"]
[2167,"C=CCOCC=C","557-40-4","C=CCOCC=C","C=CCOCC=C",{"$nulls":4},98.07316494,"?"]
[2168,"[Zn++].[O-]C=O.[O-]C=O","557-41-5","[Zn+2]","[Zn+2]","[O-]C=O","[O-]C=O",null,null,153.924450744,"?"]
[2169,"BrC(Br)(Br)Br","558-13-4","BrC(Br)(Br)Br","BrC(Br)(Br)Br",{"$nulls":4},327.6733484,"?"]
[2170,"CS(F)(=O)=O","558-25-8","CS(=O)(=O)F","CS(=O)(=O)F",{"$nulls":4},97.983778556,"?"]
[2171,"CC1(C)CO1","558-30-5","CC1(C)CO1","CC1(OC1)C",{"$nulls":4},72.057514876,"?"]
[2172,"CC(C)(O)CCl","558-42-9","CC(C)(O)CCl","CC(C)(O)CCl",{"$nulls":4},108.034192588,"?"]
[2173,"[O-][N+](=O)C(Br)([N+]([O-])=O)[N+]([O-])=O","560-95-2","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},228.89704682,"Errors in neutralization"]
[2174,"CN1CC[C]23[CH]4OC5=C(OC(C)=O)C=CC(C[CH]1[CH]2C=C[CH]4OC(C)=O)=C35","561-27-3","CC(=O)Oc1ccc2c3c1OC1C(OC(C)=O)C=CC4C(C2)N(C)CCC341","CC(=O)Oc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)OC(C)=O",{"$nulls":4},369.1576228360006,"?"]
[2175,"CCC(C)(C)CC","562-49-2","CCC(C)(C)CC","CCC(C)(C)CC",{"$nulls":4},100.12520051199999,"?"]
[2176,"CCOP(=S)(OCC)SCSP(=S)(OCC)OCC","563-12-2","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC",{"$nulls":4},383.98761644400054,"?"]
[2177,"CC(C)C=C","563-45-1","C=CC(C)C","C=CC(C)C",{"$nulls":4},70.07825032,"?"]
[2178,"CCC(C)=C","563-46-2","C=C(C)CC","C=C(C)CC",{"$nulls":4},70.07825032,"?"]
[2179,"CC(=C)CCl","563-47-3","C=C(C)CCl","C=C(C)CCl",{"$nulls":4},90.023627904,"?"]
[2180,null,"563-54-2",{"$nulls":7},""]
[2181,"CC(C)C(C)=O","563-80-4","CC(=O)C(C)C","CC(=O)C(C)C",{"$nulls":4},86.07316494,"?"]
[2182,"CC(O)C(C)Cl","563-84-8","CC(O)C(C)Cl","CC(O)C(C)Cl",{"$nulls":4},108.034192588,"?"]
[2183,null,"564-00-1",{"$nulls":7},""]
[2184,"CCC(C)C(C)(C)C","564-02-3","CCC(C)C(C)(C)C","CCC(C)C(C)(C)C",{"$nulls":4},114.14085057599999,"?"]
[2185,"C[CH]1[CH]2[CH](O)[CH]3[CH](N(C)C)C(O)=C(C(N)=O)C(=O)[C]3(O)C(O)=C2C(=O)C2=C1C=CC=C2O","564-25-0","CC1c2cccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C21","CC1C2C(C(c3c1cccc3O)=O)=C(O)C4(C(C(C(=C(C4=O)C(N)=O)O)N(C)C)C2O)O",{"$nulls":4},444.1532657280006,"?"]
[2186,null,"565-07-1",{"$nulls":7},""]
[2187,"CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1","565-20-8","CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N",{"$nulls":4},290.0725133080004,"?"]
[2188,null,"565-50-4",{"$nulls":7},""]
[2189,"CCC(C)C(C)C","565-59-3","CCC(C)C(C)C","CCC(C)C(C)C",{"$nulls":4},100.12520051199999,"?"]
[2190,null,"565-60-6",{"$nulls":7},""]
[2191,"CCC(C)C(C)=O","565-61-7","CCC(C)C(C)=O","CCC(C)C(C)=O",{"$nulls":4},100.088815004,"?"]
[2192,null,"565-67-3",{"$nulls":7},""]
[2193,"CCC(=O)C(C)C","565-69-5","CCC(=O)C(C)C","CCC(=O)C(C)C",{"$nulls":4},100.088815004,"?"]
[2194,null,"565-71-9",{"$nulls":7},""]
[2195,"CC(C)C(Br)C(O)=O","565-74-2","CC(C)C(Br)C(=O)O","CC(C)C(Br)C(=O)O",{"$nulls":4},179.978591628,"?"]
[2196,"CC(C)C(C)C(C)C","565-75-3","CC(C)C(C)C(C)C","CC(C)C(C)C(C)C",{"$nulls":4},114.14085057599999,"?"]
[2197,"CC(C)C(=O)C(C)C","565-80-0","CC(C)C(=O)C(C)C","CC(C)C(=O)C(C)C",{"$nulls":4},114.104465068,"?"]
[2198,"CC(N)C(O)C(O)=O","565-81-1","CC(N)C(O)C(=O)O","CC(N)C(O)C(=O)O",{"$nulls":4},119.058243148,"?"]
[2199,"COC1=CC(=CC(OC)=C1O)[CH]1[CH]2[CH](COC2=O)CC2=C(O)C3=C(OCO3)C=C12","568-53-6","COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1O","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)O",{"$nulls":4},400.1158176000005,"?"]
[2200,"COC1=C(OC)C2=C(COC2=O)C=C1","569-31-3","COc1ccc2c(c1OC)C(=O)OC2","COc1c(c2c(cc1)COC2=O)OC",{"$nulls":4},194.0579088,"?"]
[2201,null,"569-51-7",{"$nulls":7},""]
[2202,"OC(=O)C1=C(N=CN1)C(O)=O","570-22-9","O=C(O)c1nc[nH]c1C(=O)O","O=C(O)c1c([nH]cn1)C(=O)O",{"$nulls":4},156.017106608,"?"]
[2203,"CC1=CC=C(C)C2=C1C=CC=C2","571-58-4","Cc1ccc(C)c2ccccc12","Cc1c2c(c(cc1)C)cccc2",{"$nulls":4},156.093900384,"?"]
[2204,"CC1=CC=CC2=C(C)C=CC=C12","571-61-9","Cc1cccc2c(C)cccc12","Cc1c2c(ccc1)c(C)ccc2",{"$nulls":4},156.093900384,"?"]
[2205,"O[CH]1[CH](O)[CH](O)[CH](OP([O-])([O-])=O)[CH](O)[CH]1O","573-35-3","O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O","O=P(O)(O)OC1C(C(C(C(C1O)O)O)O)O",{"$nulls":4},258.0140685620001,"Structure has been neutralized"]
[2206,"OC1=C(C=CC=C1[N+]([O-])=O)[N+]([O-])=O","573-56-8","O=[N+]([O-])c1cccc([N+](=O)[O-])c1O","O=[N+]([O-])c1c(c(ccc1)[N+](=O)[O-])O",{"$nulls":4},184.012021228,"?"]
[2207,"OC1=C(N=NC2=CC=C(C=C2)S(O)(=O)=O)C2=CC=CC=C2C=C1","573-89-7","O=S(=O)(O)c1ccc(N=Nc2c(O)ccc3ccccc23)cc1","O=S(=O)(O)c1ccc(cc1)N=Nc2c3c(ccc2O)cccc3","C.I",{"$nulls":3},471.9953760240003,"?"]
[2208,"CC1=CC(C)=C2C=CC=CC2=C1","575-41-7","Cc1cc(C)c2ccccc2c1","Cc1cc2c(c(c1)C)cccc2",{"$nulls":4},156.093900384,"?"]
[2209,"COCOC(=O)C1=CC=CC=C1O","575-82-6","COCOC(=O)c1ccccc1O","COCOC(=O)c1c(cccc1)O",{"$nulls":4},182.0579088,"?"]
[2210,"OC(=O)COC1=C(Cl)C=C(Cl)C=C1Cl","575-89-3","O=C(O)COc1c(Cl)cc(Cl)cc1Cl","O=C(O)COc1c(cc(cc1Cl)Cl)Cl",{"$nulls":4},253.93042705999997,"?"]
[2211,"OC1=CC=CC(Cl)=C1Cl","576-24-9","Oc1cccc(Cl)c1Cl","Oc1c(c(ccc1)Cl)Cl",{"$nulls":4},161.963920108,"?"]
[2212,"CC1=CC=CC(C)=C1O","576-26-1","Cc1cccc(C)c1O","Cc1c(c(ccc1)C)O",{"$nulls":4},122.07316494,"?"]
[2213,"OC(=O)C1CCNCC1C(O)=O","577-58-2","O=C(O)C1CCNCC1C(=O)O","O=C(O)C1C(CNCC1)C(=O)O",{"$nulls":4},173.068807832,"?"]
[2214,"CCOC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C","577-66-2","CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C","CCOc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",{"$nulls":4},238.106590308,"?"]
[2215,"OC1=CC(=C(C=C1)[N+]([O-])=O)[N+]([O-])=O","577-71-9","O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]","O=[N+]([O-])c1c(cc(cc1)O)[N+](=O)[O-]",{"$nulls":4},184.012021228,"?"]
[2216,"NC1=CC=CC2=C1C=C1C=CC=CC1=N2","578-06-3","Nc1cccc2nc3ccccc3cc12","Nc1c2c(ccc1)nc3c(cccc3)c2",{"$nulls":4},194.08439832,"?"]
[2217,null,"578-67-6",{"$nulls":7},""]
[2218,"CC(=O)C(=O)C1=CC=CC=C1","579-07-7","CC(=O)C(=O)c1ccccc1","CC(=O)C(=O)c1ccccc1",{"$nulls":4},148.052429496,"?"]
[2219,"CN(C(C)=O)C1=CC=CC=C1","579-10-2","CC(=O)N(C)c1ccccc1","CC(=O)N(C)c1ccccc1",{"$nulls":4},149.084063972,"?"]
[2220,null,"579-43-1",{"$nulls":7},""]
[2221,"OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1","579-44-2","O=C(c1ccccc1)C(O)c1ccccc1","O=C(c1ccccc1)C(O)c2ccccc2",{"$nulls":4},212.083729624,"?"]
[2222,"CCC1=CC=CC(CC)=C1N","579-66-8","CCc1cccc(CC)c1N","CCc1c(c(ccc1)CC)N",{"$nulls":4},149.12044948,"?"]
[2223,"COC1=CC=CC=C1C(O)=O","579-75-9","COc1ccccc1C(=O)O","COc1c(cccc1)C(=O)O",{"$nulls":4},152.047344116,"?"]
[2224,"BrC1=CC=C2C=CC=CC2=C1","580-13-2","Brc1ccc2ccccc2c1","Brc1cc2c(cc1)cccc2",{"$nulls":4},205.973112324,"?"]
[2225,"OC1=CC2=C(C=C1)N=CC=C2","580-16-5","Oc1ccc2ncccc2c1","Oc1cc2c(cc1)nccc2",{"$nulls":4},145.052763844,"?"]
[2226,"OC1=CC2=CC=CC=C2N=C1","580-18-7","Oc1cnc2ccccc2c1","Oc1cc2c(nc1)cccc2",{"$nulls":4},145.052763844,"?"]
[2227,"OC1=CC=C2C=CC=NC2=C1","580-20-1","Oc1ccc2cccnc2c1","Oc1cc2c(cc1)cccn2",{"$nulls":4},145.052763844,"?"]
[2228,"CCN(CC)C1=NC(=NC(Cl)=N1)N(CC)CC","580-48-3","CCN(CC)c1nc(Cl)nc(N(CC)CC)n1","CCN(CC)c1nc(nc(n1)Cl)N(CC)CC",{"$nulls":4},257.14072332,"?"]
[2229,"CC1=C(C)C=C2C=CC=CC2=C1","581-40-8","Cc1cc2ccccc2cc1C","Cc1c(cc2c(c1)cccc2)C",{"$nulls":4},156.093900384,"?"]
[2230,"CC1=CC2=C(C=C1)C=C(C)C=C2","581-42-0","Cc1ccc2cc(C)ccc2c1","Cc1cc2c(cc1)cc(C)cc2",{"$nulls":4},156.093900384,"?"]
[2231,"OC1=CC2=CC=C(O)C=C2C=C1","581-43-1","Oc1ccc2cc(O)ccc2c1","Oc1cc2c(cc1)cc(O)cc2",{"$nulls":4},160.052429496,"?"]
[2232,null,"581-49-7",{"$nulls":7},""]
[2233,"C1=CC=C(N=C1)C1=CN=CC=C1","581-50-0","c1ccc(-c2cccnc2)nc1","c1cnc(cc1)-c2cnccc2",{"$nulls":4},156.068748256,"?"]
[2234,"[O-][N+](=O)C1=CC=C2C=CC=CC2=C1","581-89-5","O=[N+]([O-])c1ccc2ccccc2c1","O=[N+]([O-])c1cc2c(cc1)cccc2",{"$nulls":4},173.047678464,"?"]
[2235,"CC1(C)OCC(O1)[CH]1O[CH]2OC(C)(C)O[CH]2[CH]1O","582-52-5","CC1(C)OCC(C2OC3OC(C)(C)OC3C2O)O1","CC1(OC(CO1)C2C(C3C(O2)OC(C)(C)O3)O)C",{"$nulls":4},260.1259883600001,"?"]
[2236,"S=C1NC2=CN=CN=C2N1","583-40-4","S=c1[nH]c2cncnc2[nH]1","S=c1[nH]c2c([nH]1)cncn2",{"$nulls":4},152.015667128,"?"]
[2237,"[K+].[K+].[O-]C(=O)C([O-])=O","583-52-8","O=C([O-])C(=O)[O-]","O=C(O)C(=O)O","[K+]","[K+]",null,null,165.90707184000001,"Structure has been neutralized"]
[2238,"BrC1=C(Br)C=CC=C1","583-53-9","Brc1ccccc1Br","Brc1c(cccc1)Br",{"$nulls":4},233.867974328,"?"]
[2239,"CC1CCCCC1C","583-57-3","CC1CCCCC1C","CC1C(CCCC1)C",{"$nulls":4},112.12520051199999,"?"]
[2240,"CC1=C(C)C=NC=C1","583-58-4","Cc1ccncc1C","Cc1c(cncc1)C",{"$nulls":4},107.073499288,"?"]
[2241,"CC1=C(C)N=CC=C1","583-61-9","Cc1cccnc1C","Cc1c(nccc1)C",{"$nulls":4},107.073499288,"?"]
[2242,"OC1=CC(Cl)=CC=C1Cl","583-78-8","Oc1cc(Cl)ccc1Cl","Oc1c(ccc(c1)Cl)Cl",{"$nulls":4},161.963920108,"?"]
[2243,"CCC(O)CC","584-02-1","CCC(O)CC","CCC(O)CC",{"$nulls":4},88.088815004,"?"]
[2244,"CCC(O)CO","584-03-2","CCC(O)CO","CCC(O)CO",{"$nulls":4},90.06807956,"?"]
[2245,"CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C","584-79-2","C=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O","C=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",{"$nulls":4},302.1881946920007,"?"]
[2246,null,"584-98-5",{"$nulls":7},""]
[2247,null,"585-04-6",{"$nulls":7},""]
[2248,"CC(=C)C(=O)OC(C)(C)C","585-07-9","C=C(C)C(=O)OC(C)(C)C","C=C(C)C(=O)OC(C)(C)C",{"$nulls":4},142.099379688,"?"]
[2249,"CC(C)(C)C1=CC=CC(O)=C1","585-34-2","CC(C)(C)c1cccc(O)c1","CC(C)(C)c1cc(ccc1)O",{"$nulls":4},150.104465068,"?"]
[2250,"OC(=O)C1=CC=C(Br)O1","585-70-6","O=C(O)c1ccc(Br)o1","O=C(O)c1oc(cc1)Br",{"$nulls":4},189.926556056,"?"]
[2251,"OC(=O)C1=CC(Br)=CC=C1","585-76-2","O=C(O)c1cccc(Br)c1","O=C(O)c1cc(ccc1)Br",{"$nulls":4},199.9472915,"?"]
[2252,"[O-][N+](=O)C1=CC(Br)=CC=C1","585-79-5","O=[N+]([O-])c1cccc(Br)c1","O=[N+]([O-])c1cc(ccc1)Br",{"$nulls":4},200.942540468,"?"]
[2253,"OC(=O)CC(=CC(O)=O)C(O)=O","585-84-2","O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O",{"$nulls":4},174.01643791200001,"?"]
[2254,"OC[CH](O)[CH](O)[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)CO","585-86-4","OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO","OCC(O)C(O)C(OC1C(C(C(C(O1)CO)O)O)O)C(O)CO",{"$nulls":4},344.1318615880006,"?"]
[2255,null,"585-99-9",{"$nulls":7},""]
[2256,"OC1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O","586-11-8","O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1","O=[N+]([O-])c1cc(cc(c1)O)[N+](=O)[O-]",{"$nulls":4},184.012021228,"?"]
[2257,"OC(=O)C1=CC(Br)=C(C=C1)C(O)=O","586-35-6","O=C(O)c1ccc(C(=O)O)c(Br)c1","O=C(O)c1cc(c(cc1)C(=O)O)Br",{"$nulls":4},243.93712074,"?"]
[2258,"CC(C)=C1CCC(C)=CC1","586-62-9","CC1=CCC(=C(C)C)CC1","CC=1CCC(CC1)=C(C)C",{"$nulls":4},136.125200512,"?"]
[2259,"OC(=O)C1=CC=C(Br)C=C1","586-76-5","O=C(O)c1ccc(Br)cc1","O=C(O)c1ccc(cc1)Br",{"$nulls":4},199.9472915,"?"]
[2260,"COCC1=CC=C(O1)[N+]([O-])=O","586-84-5","COCc1ccc([N+](=O)[O-])o1","COCc1oc(cc1)[N+](=O)[O-]",{"$nulls":4},157.037507704,"?"]
[2261,"OCC1=CC=NC=C1","586-95-8","OCc1ccncc1","OCc1ccncc1",{"$nulls":4},109.052763844,"?"]
[2262,null,"587-01-9",{"$nulls":7},""]
[2263,"CC1=CC=CC(CO)=C1","587-03-1","Cc1cccc(CO)c1","Cc1cc(ccc1)CO",{"$nulls":4},122.07316494,"?"]
[2264,"CCCOC(=O)CN1C=C(I)C(=O)C(I)=C1","587-61-1","CCCOC(=O)Cn1cc(I)c(=O)c(I)c1","CCCOC(=O)Cn1cc(c(c(c1)I)=O)I",{"$nulls":4},446.88283921200025,"?"]
[2265,"OC(=O)COC1=CC(Cl)=CC(Cl)=C1","587-64-4","O=C(O)COc1cc(Cl)cc(Cl)c1","O=C(O)COc1cc(cc(c1)Cl)Cl",{"$nulls":4},219.96939941199997,"?"]
[2266,"OC(=O)COC1=CC(Cl)=C(Cl)C=C1","588-22-7","O=C(O)COc1ccc(Cl)c(Cl)c1","O=C(O)COc1cc(c(cc1)Cl)Cl",{"$nulls":4},219.96939941199997,"?"]
[2267,"OC(=O)COC1=CC(Cl)=CC=C1","588-32-9","O=C(O)COc1cccc(Cl)c1","O=C(O)COc1cc(ccc1)Cl",{"$nulls":4},186.00837176399997,"?"]
[2268,"C(=CC1=CC=CC=C1)C1=CC=CC=C1","588-59-0","C(=Cc1ccccc1)c1ccccc1","C(=Cc1ccccc1)c2ccccc2",{"$nulls":4},180.093900384,"?"]
[2269,"CC1=CC=C(CO)C=C1","589-18-4","Cc1ccc(CO)cc1","Cc1ccc(cc1)CO",{"$nulls":4},122.07316494,"?"]
[2270,"OCC1=CC=C(CO)C=C1","589-29-7","OCc1ccc(CO)cc1","OCc1ccc(cc1)CO",{"$nulls":4},138.06807956,"?"]
[2271,"CCCC(C)CC","589-34-4","CCCC(C)CC","CCCC(C)CC",{"$nulls":4},100.12520051199999,"?"]
[2272,"CCC(C)CCO","589-35-5","CCC(C)CCO","CCC(C)CCO",{"$nulls":4},102.104465068,"?"]
[2273,"CCCC(=O)CC","589-38-8","CCCC(=O)CC","CCCC(=O)CC",{"$nulls":4},100.088815004,"?"]
[2274,"CCCC(O)CCC","589-55-9","CCCC(O)CCC","CCCC(O)CCC",{"$nulls":4},116.120115132,"?"]
[2275,"CCCCC(C)CC","589-81-1","CCCCC(C)CC","CCCCC(C)CC",{"$nulls":4},114.14085057599999,"?"]
[2276,"CCCCC(O)CC","589-82-2","CCCCC(O)CC","CCCCC(O)CC",{"$nulls":4},116.120115132,"?"]
[2277,"BrC1=CC=C(I)C=C1","589-87-7","Brc1ccc(I)cc1","Brc1ccc(cc1)I",{"$nulls":4},281.8541102280001,"?"]
[2278,"CC1CCC(C)CC1","589-90-2","CC1CCC(C)CC1","CC1CCC(CC1)C",{"$nulls":4},112.12520051199999,"?"]
[2279,"CC1CCC(O)CC1","589-91-3","CC1CCC(O)CC1","CC1CCC(CC1)O",{"$nulls":4},114.104465068,"?"]
[2280,"CC1=CC=C(C)N=C1","589-93-5","Cc1ccc(C)nc1","Cc1cnc(cc1)C",{"$nulls":4},107.073499288,"?"]
[2281,null,"589-97-9",{"$nulls":7},""]
[2282,"CCCCOC(=O)CC","590-01-2","CCCCOC(=O)CC","CCCCOC(=O)CC",{"$nulls":4},130.099379688,"?"]
[2283,null,"590-11-4",{"$nulls":7},""]
[2284,"CC=CC","590-18-1","CC=CC","CC=CC",{"$nulls":4},56.062600255999996,"?"]
[2285,null,"590-26-1",{"$nulls":7},""]
[2286,null,"590-27-2",{"$nulls":7},""]
[2287,"[K+].[O-]C#N","590-28-3","N#C[O-]","N#CO","[K+]",{"$nulls":3},80.9616953,"Structure has been neutralized"]
[2288,"[K+].[O-]C=O","590-29-4","O=C[O-]","O=CO","[K+]",{"$nulls":3},83.961360952,"Structure has been neutralized"]
[2289,"CCCC(C)(C)C","590-35-2","CCCC(C)(C)C","CCCC(C)(C)C",{"$nulls":4},100.12520051199999,"?"]
[2290,"CCCC(C)(C)O","590-36-3","CCCC(C)(C)O","CCCC(C)(C)O",{"$nulls":4},102.104465068,"?"]
[2291,"[Cl-].CC(C[N+](C)(C)C)OC(N)=O","590-63-6","CC(C[N+](C)(C)C)OC(N)=O","CC(C[N+](C)(C)C)OC(N)=O","[Cl-]",{"$nulls":3},196.097855464,"?"]
[2292,"CCCCC(C)(C)C","590-73-8","CCCCC(C)(C)C","CCCCC(C)(C)C",{"$nulls":4},114.14085057599999,"?"]
[2293,"CC(C)CC=O","590-86-3","CC(C)CC=O","CC(C)CC=O",{"$nulls":4},86.07316494,"?"]
[2294,"OS(O)(=O)=O.NC(=N)NC(N)=O.NC(=N)NC(N)=O","591-01-5","N=C(N)NC(N)=O","N=C(N)NC(N)=O","NC(=N)NC(N)=O","OS(O)(=O)=O",null,null,302.075701168,"?"]
[2295,"CC(=O)NC(N)=O","591-07-1","CC(=O)NC(N)=O","CC(=O)NC(N)=O",{"$nulls":4},102.042927432,"?"]
[2296,"CC(=O)NC(N)=S","591-08-2","CC(=O)NC(N)=S","CC(=O)NC(N)=S",{"$nulls":4},118.020083812,"?"]
[2297,"CC1=CCC(=O)O1","591-12-8","CC1=CCC(=O)O1","CC=1OC(CC1)=O",{"$nulls":4},98.036779432,"?"]
[2298,"CC1=CC=CC(Br)=C1","591-17-3","Cc1cccc(Br)c1","Cc1cc(ccc1)Br",{"$nulls":4},169.973112324,"?"]
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[2660,"CC1=C(C)N=C(NS(=O)(=O)C2=CC=C(N)C=C2)O1","729-99-7","Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C","Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C",{"$nulls":4},267.0677622760003,"?"]
[2661,"CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)C1=CC=C(C)C=C1","731-27-1","Cc1ccc(N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C)cc1","Cc1ccc(cc1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C",{"$nulls":4},345.97795323600036,"?"]
[2662,"COP(=S)(OC)SCN1C(=O)C2=C(C=CC=C2)C1=O","732-11-6","COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O","COP(=S)(OC)SCN1C(c2c(C1=O)cccc2)=O",{"$nulls":4},316.99453649400033,"?"]
[2663,"CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C","732-26-3","CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1","CC(C)(C)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C",{"$nulls":4},262.2296655800002,"?"]
[2664,"COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC","738-70-5","COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC","COc1c(c(cc(c1)Cc2c(nc(nc2)N)N)OC)OC",{"$nulls":4},290.1378904360005,"?"]
[2665,"CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1","741-58-2","CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1","CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1",{"$nulls":4},397.06050787800064,"?"]
[2666,"CN(C)[CH]1[CH]2CC3C(=C(O)[C]2(O)C(=O)C(C(=O)NCN2CCCC2)=C1O)C(=O)C1=C(C=CC=C1O)[C]3(C)O","751-97-3","CN(C)C1C(O)=C(C(=O)NCN2CCCC2)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12","CN(C)C1C2C(C(C(=C1O)C(=O)NCN3CCCC3)=O)(O)C(O)=C4C(C(c5c(C4=O)c(O)ccc5)(C)O)C2",{"$nulls":4},527.2267650160009,"?"]
[2667,"C[Sn](C)(Cl)Cl","753-73-1","C[Sn](C)(Cl)Cl","C[Sn](C)(Cl)Cl",{"$nulls":4},219.886850252,"?"]
[2668,"COP(C)(=O)OC","756-79-6","COP(C)(=O)OC","COP(C)(=O)OC",{"$nulls":4},124.028930778,"?"]
[2669,null,"757-58-4",{"$nulls":7},""]
[2670,"CCN(N=O)C(N)=O","759-73-9","CCN(N=O)C(N)=O","CCN(N=O)C(N)=O",{"$nulls":4},117.053826464,"?"]
[2671,"CCCN(CCC)C(=O)SCC","759-94-4","CCCN(CCC)C(=O)SCC","CCCN(CCC)C(=O)SCC",{"$nulls":4},189.118735228,"?"]
[2672,"ClCC(Cl)C=C","760-23-6","C=CC(Cl)CCl","C=CC(Cl)CCl",{"$nulls":4},123.98465555199999,"?"]
[2673,"CCCCCCCC(C(O)=O)C(O)=O","760-54-3","CCCCCCCC(C(=O)O)C(=O)O","CCCCCCCC(C(=O)O)C(=O)O",{"$nulls":4},202.120509056,"?"]
[2674,"CCCCCCCCC(C(O)=O)C(O)=O","760-55-4","CCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCC(C(=O)O)C(=O)O",{"$nulls":4},216.13615912,"?"]
[2675,"CCCC(N)C(O)=O","760-78-1","CCCC(N)C(=O)O","CCCC(N)C(=O)O",{"$nulls":4},117.078978592,"?"]
[2676,"FCCCl","762-50-5","FCCCl","FCCCl",{"$nulls":4},81.998556028,"?"]
[2677,"CCCCC(C)=C","763-29-1","C=C(C)CCCC","C=C(C)CCCC",{"$nulls":4},98.109550448,"?"]
[2678,"CCOCCC(=O)OCC","763-69-9","CCOCCC(=O)OCC","CCOCCC(=O)OCC",{"$nulls":4},146.094294308,"?"]
[2679,"CC(C)=CC=C(C)C","764-13-6","CC(C)=CC=C(C)C","CC(C)=CC=C(C)C",{"$nulls":4},110.109550448,"?"]
[2680,"ClCC=CCCl","764-41-0","ClCC=CCCl","ClCC=CCCl",{"$nulls":4},123.98465555199999,"?"]
[2681,"O=CC1CO1","765-34-4","O=CC1CO1","O=CC1OC1",{"$nulls":4},72.021129368,"?"]
[2682,"COC1=C(Cl)C=CC=C1","766-51-8","COc1ccccc1Cl","COc1c(cccc1)Cl",{"$nulls":4},142.018542524,"?"]
[2683,"CC1=CC(C)=NC(N)=N1","767-15-7","Cc1cc(C)nc(N)n1","Cc1nc(nc(c1)C)N",{"$nulls":4},123.07964728799999,"?"]
[2684,"C1CC[CH]2NCCC[CH]2C1","767-92-0","C1CCC2NCCCC2C1","C1CC2C(CC1)NCCC2",{"$nulls":4},139.136099544,"?"]
[2685,"CC(O)COC1=CC=CC=C1","770-35-4","CC(O)COc1ccccc1","CC(O)COc1ccccc1",{"$nulls":4},152.083729624,"?"]
[2686,"C1CC2=CC=CC=C2C2=CC=CC=C12","776-35-2","c1ccc2c(c1)CCc1ccccc1-2","c1cc2c(cc1)-c3c(CC2)cccc3",{"$nulls":4},180.093900384,"?"]
[2687,"CC1=C2C=CC=CC2=CC2=CC=CC=C12","779-02-2","Cc1c2ccccc2cc2ccccc12","Cc1c2c(cc3c1cccc3)cccc2",{"$nulls":4},192.093900384,"?"]
[2688,"CC1=C2C=CC=CC2=C(C)C2=CC=CC=C12","781-43-1","Cc1c2ccccc2c(C)c2ccccc12","Cc1c2c(c(c3c1cccc3)C)cccc2",{"$nulls":4},206.109550448,"?"]
[2689,"CCOP(=S)(OCC)SCSC1=CC=C(Cl)C=C1","786-19-6","CCOP(=S)(OCC)SCSc1ccc(Cl)cc1","CCOP(=S)(OCC)SCSc1ccc(cc1)Cl",{"$nulls":4},341.97385706200043,"?"]
[2690,"O=C(NNC(=O)C1=CC=CC=C1)C1=CC=CC=C1","787-84-8","O=C(NNC(=O)c1ccccc1)c1ccccc1","O=C(NNC(=O)c1ccccc1)c2ccccc2",{"$nulls":4},240.089877624,"?"]
[2691,"ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl","789-02-6","Clc1ccc(C(c2ccccc2Cl)C(Cl)(Cl)Cl)cc1","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)(Cl)Cl",{"$nulls":4},351.91468868800024,"?"]
[2692,null,"803-45-2",{"$nulls":7},""]
[2693,"CCCOP(=O)(OCC)OCC","814-22-2","CCCOP(=O)(OCC)OCC","CCCOP(=O)(OCC)OCC",{"$nulls":4},196.086445654,"?"]
[2694,"CCCCP(=O)(CCCC)CCCC","814-29-9","CCCCP(=O)(CCCC)CCCC","CCCCP(=O)(CCCC)CCCC",{"$nulls":4},218.17995211399997,"?"]
[2695,"CCOC(=O)CCCC(=O)OCC","818-38-2","CCOC(=O)CCCC(=O)OCC","CCOC(=O)CCCC(=O)OCC",{"$nulls":4},188.104858992,"?"]
[2696,"OCCOC(=O)C=C","818-61-1","C=CC(=O)OCCO","C=CC(=O)OCCO",{"$nulls":4},116.047344116,"?"]
[2697,"[Ca++].[O-]S(=O)(=O)CS([O-])(=O)=O","819-17-0","O=S(=O)([O-])CS(=O)(=O)[O-]","O=S(=O)(O)CS(=O)(=O)O","[Ca+2]",{"$nulls":3},213.89187076400003,"Structure has been neutralized"]
[2698,"OCCCC=C","821-09-0","C=CCCCO","C=CCCCO",{"$nulls":4},86.07316494,"?"]
[2699,"CC(O)CCOCCC(C)O","821-33-0","CC(O)CCOCCC(C)O","CC(O)CCOCCC(C)O",{"$nulls":4},162.125594436,"?"]
[2700,"OC(=O)CCCCCCCCCCCCC(O)=O","821-38-5","O=C(O)CCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCC(=O)O",{"$nulls":4},258.18310931200006,"?"]
[2701,"CCCCCCCC(C)=O","821-55-6","CCCCCCCC(C)=O","CCCCCCCC(C)=O",{"$nulls":4},142.135765196,"?"]
[2702,"CC(C)C1OCCO1","822-83-3","CC(C)C1OCCO1","CC(C)C1OCCO1",{"$nulls":4},116.083729624,"?"]
[2703,"CSC1=NC=CC=N1","823-09-6","CSc1ncccn1","CSc1ncccn1",{"$nulls":4},126.02516919199999,"?"]
[2704,null,"826-91-5",{"$nulls":7},""]
[2705,"CC1CC(OC(C)=O)OC(C)O1","828-00-2","CC(=O)OC1CC(C)OC(C)O1","CC(=O)OC1OC(OC(C1)C)C",{"$nulls":4},174.089208928,"?"]
[2706,"CC1=CC2=CC(C)=C(C)C=C2C=C1","829-26-5","Cc1ccc2cc(C)c(C)cc2c1","Cc1cc2c(cc1)cc(C)c(C)c2",{"$nulls":4},170.109550448,"?"]
[2707,"COC1=CC=C(C=CC(O)=O)C=C1","830-09-1","COc1ccc(C=CC(=O)O)cc1","COc1ccc(cc1)C=CC(=O)O",{"$nulls":4},178.06299418,"?"]
[2708,"CN1C2=C(NC(C)=N2)C(=O)N(C)C1=O","830-65-9","Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C","Cc1[nH]c2c(n1)n(c(n(c2=O)C)=O)C",{"$nulls":4},194.08037556,"?"]
[2709,"CN1C(C)=NC2=C1C(=O)N(C)C(=O)N2C","832-66-6","Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C","Cc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",{"$nulls":4},208.096025624,"?"]
[2710,"CC1=C2C=CC3=CC=CC=C3C2=CC=C1","832-69-9","Cc1cccc2c1ccc1ccccc12","Cc1c2c(ccc1)c3c(cc2)cccc3",{"$nulls":4},192.093900384,"?"]
[2711,"CCNC1=NC(SC)=NC(NC(C)C)=N1","834-12-8","CCNc1nc(NC(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)C)SC",{"$nulls":4},227.12046654399998,"?"]
[2712,"CCOC(=O)[CH](CC1=CC=C(O)C=C1)N=C(C)O","840-97-1","CCOC(=O)C(Cc1ccc(O)cc1)N=C(C)O","CCOC(=O)C(Cc1ccc(cc1)O)N=C(C)O",{"$nulls":4},251.115758024,"?"]
[2713,"COCCCNC1=NC(NC(C)C)=NC(SC)=N1","841-06-5","COCCCNc1nc(NC(C)C)nc(SC)n1","COCCCNc1nc(nc(n1)NC(C)C)SC",{"$nulls":4},271.14668129200044,"?"]
[2714,"COCCCNC1=NC(SC)=NC(NCCCOC)=N1","845-52-3","COCCCNc1nc(NCCCOC)nc(SC)n1","COCCCNc1nc(nc(n1)NCCCOC)SC",{"$nulls":4},301.15724597600064,"?"]
[2715,"OC1N=C(C2=CC=CC=C2Cl)C2=CC(Cl)=CC=C2NC1=O","846-49-1","O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O","O=C1C(N=C(c2c(N1)ccc(Cl)c2)c3c(cccc3)Cl)O",{"$nulls":4},320.0119329200003,"?"]
[2716,"CC(=O)O[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](CCC4=O)[CH]3CC=C2C1","853-23-6","CC(=O)OC1CCC2(C)C(=CCC3C4CCC(=O)C4(C)CCC32)C1","CC(=O)OC1CC=2C(CC1)(C3C(CC2)C4C(C(CC4)=O)(C)CC3)C",{"$nulls":4},330.2194948200008,"?"]
[2717,"CC(=O)CCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1","853-34-9","CC(=O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O","CC(=O)CCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O",{"$nulls":4},322.13174243600054,"?"]
[2718,"CCOP(=O)(OCC)C(Cl)(Cl)Cl","866-23-9","CCOP(=O)(OCC)C(Cl)(Cl)Cl","CCOP(=O)(OCC)C(Cl)(Cl)Cl",{"$nulls":4},253.94331384999998,"?"]
[2719,"[K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O","866-84-2","O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-]","O=C(O)CC(O)(CC(=O)O)C(=O)O","[K+]","[K+]","[K+]",null,305.89464754000005,"Structure has been neutralized"]
[2720,"CC(=C)C(=O)OCCO","868-77-9","C=C(C)C(=O)OCCO","C=C(C)C(=O)OCCO",{"$nulls":4},130.06299418,"?"]
[2721,"CC(=O)OC(OC(C)=O)C=C","869-29-4","C=CC(OC(C)=O)OC(C)=O","C=CC(OC(C)=O)OC(C)=O",{"$nulls":4},158.0579088,"?"]
[2722,"CC(=O)NCCNC(C)=O","871-78-3","CC(=O)NCCNC(C)=O","CC(=O)NCCNC(C)=O",{"$nulls":4},144.089877624,"?"]
[2723,"CCCCCCCCC=C","872-05-9","C=CCCCCCCCC","C=CCCCCCCCC",{"$nulls":4},140.15650064,"?"]
[2724,"CN1CCCC1=O","872-50-4","CN1CCCC1=O","CN1C(CCC1)=O",{"$nulls":4},99.068413908,"?"]
[2725,null,"872-55-9",{"$nulls":7},""]
[2726,"OCC1=CC=C(Br)C=C1","873-75-6","OCc1ccc(Br)cc1","OCc1ccc(cc1)Br",{"$nulls":4},185.968026944,"?"]
[2727,"OCC1=CC=C(Cl)C=C1","873-76-7","OCc1ccc(Cl)cc1","OCc1ccc(cc1)Cl",{"$nulls":4},142.018542524,"?"]
[2728,"[K+].OC(=O)C1=C(C=CC=C1)C([O-])=O","877-24-7","O=C([O-])c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(=O)O","[K+]",{"$nulls":3},203.98249032,"Structure has been neutralized"]
[2729,"[O-][N+](=O)C1=CC(Cl)=C(Cl)C(Cl)=C1Cl","879-39-0","O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(c(c1)Cl)Cl)Cl)Cl",{"$nulls":4},258.87613899200005,"?"]
[2730,"CCOC1=NC(OCC)=NC(OCC)=N1","884-43-5","CCOc1nc(OCC)nc(OCC)n1","CCOc1nc(nc(n1)OCC)OCC",{"$nulls":4},213.11134134,"?"]
[2731,"OC1=C(C=C(C=C1)C1=CC=CC=C1)[N+]([O-])=O","885-82-5","O=[N+]([O-])c1cc(-c2ccccc2)ccc1O","O=[N+]([O-])c1c(ccc(c1)-c2ccccc2)O",{"$nulls":4},215.058243148,"?"]
[2732,"CCNC1=NC(SC)=NC(NC(C)(C)C)=N1","886-50-0","CCNc1nc(NC(C)(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)(C)C)SC",{"$nulls":4},241.13611660799998,"?"]
[2733,"CS(O)(=O)=O.CCOC(=O)C1=CC(N)=CC=C1","886-86-2","CCOC(=O)c1cccc(N)c1","CCOC(=O)c1cc(ccc1)N","CS(O)(=O)=O",{"$nulls":3},261.06709358,"?"]
[2734,"[O-][N+](=O)C1=CC=C2C3=CC=CC=C3C3=CC=CC1=C23","892-21-7","O=[N+]([O-])c1ccc2c3c(cccc13)-c1ccccc1-2","O=[N+]([O-])c1c2c3c(cc1)-c4c(-c3ccc2)cccc4",{"$nulls":4},247.063328528,"?"]
[2735,"CC(=O)O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1","900-95-8","CC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1","CC(=O)O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3",{"$nulls":4},410.0328745160005,"?"]
[2736,"CC(=O)NCC(O)=O.CC(=O)NCC(O)=O.NC(=N)C1=CC=C(NN=NC2=CC=C(C=C2)C(N)=N)C=C1","908-54-3","N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1","N=C(N)c1ccc(cc1)N=NNc2ccc(cc2)C(=N)N","CC(=O)NCC(O)=O","CC(=O)NCC(O)=O",null,null,515.2240796480005,"?"]
[2737,"CN(C)[CH]1[CH]2[CH](O)[CH]3C(=C)C4=C(C(O)=CC=C4)C(=O)C3=C(O)[C]2(O)C(=O)C(C(N)=O)=C1O","914-00-1","C=C1c2cccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C12","C=C1C2C(C(c3c1cccc3O)=O)=C(O)C4(C(C(C(=C(C4=O)C(N)=O)O)N(C)C)C2O)O",{"$nulls":4},442.1376156640005,"?"]
[2738,"COCCNC(=O)CSP(=S)(OC)OC","919-76-6","COCCNC(=O)CSP(=S)(OC)OC","COCCNC(=O)CSP(=S)(OC)OC",{"$nulls":4},273.0258366220005,"?"]
[2739,"CCSCCSP(=O)(OC)OC","919-86-8","CCSCCSP(=O)(OC)OC","CCSCCSP(=O)(OC)OC",{"$nulls":4},230.02002297,"?"]
[2740,"CCOC(C)(C)CC","919-94-8","CCOC(C)(C)CC","CCOC(C)(C)CC",{"$nulls":4},116.120115132,"?"]
[2741,"CC(C(O)=O)C(C)(C)CCC(O)=O","920-79-6","CC(C(=O)O)C(C)(C)CCC(=O)O","CC(C(=O)O)C(C)(C)CCC(=O)O",{"$nulls":4},188.104858992,"?"]
[2742,null,"923-06-8",{"$nulls":7},""]
[2743,null,"923-18-2",{"$nulls":7},""]
[2744,"CCCCN(CCCC)N=O","924-16-3","CCCCN(CCCC)N=O","CCCCN(CCCC)N=O",{"$nulls":4},158.141913196,"?"]
[2745,"OCNC(=O)C=C","924-42-5","C=CC(=O)NCO","C=CC(=O)NCO",{"$nulls":4},101.047678464,"?"]
[2746,null,"924-57-2",{"$nulls":7},""]
[2747,null,"924-62-9",{"$nulls":7},""]
[2748,"CCCC(=O)NCCNC(=O)CCC","925-49-5","CCCC(=O)NCCNC(=O)CCC","CCCC(=O)NCCNC(=O)CCC",{"$nulls":4},200.15247788,"?"]
[2749,"CCCCCC(=O)CCCCC","927-49-1","CCCCCC(=O)CCCCC","CCCCCC(=O)CCCCC",{"$nulls":4},170.167065324,"?"]
[2750,"CC(=O)OCCBr","927-68-4","CC(=O)OCCBr","CC(=O)OCCBr",{"$nulls":4},165.962941564,"?"]
[2751,"CCCCO[N+]([O-])=O","928-45-0","CCCCO[N+](=O)[O-]","CCCCO[N+](=O)[O-]",{"$nulls":4},119.058243148,"?"]
[2752,"CCC#CCC","928-49-4","CCC#CCC","CCC#CCC",{"$nulls":4},82.07825032,"?"]
[2753,"O=NN1CCCC1","930-55-2","O=NN1CCCC1","O=NN1CCCC1",{"$nulls":4},100.063662876,"?"]
[2754,"O=NN1CCCCCC1","932-83-2","O=NN1CCCCCC1","O=NN1CCCCCC1",{"$nulls":4},128.094963004,"?"]
[2755,"OC1=C(Cl)C=CC(Cl)=C1Cl","933-75-5","Oc1c(Cl)ccc(Cl)c1Cl","Oc1c(c(ccc1Cl)Cl)Cl",{"$nulls":4},195.924947756,"?"]
[2756,"CC1=NC2=NC=NC=C2N1","934-33-8","Cc1nc2ncncc2[nH]1","Cc1[nH]c2c(n1)ncnc2",{"$nulls":4},134.059246192,"?"]
[2757,"O=C1CCCCCCCN1","935-30-8","O=C1CCCCCCCN1","O=C1NCCCCCCC1",{"$nulls":4},141.1153641,"?"]
[2758,"O=S1(=O)NCC2=CC=CC=C12","936-16-3","O=S1(=O)NCc2ccccc21","O=S1(c2c(CN1)cccc2)=O",{"$nulls":4},169.019749464,"?"]
[2759,"CC1=NC2=NC=NC=C2N=C1","936-40-3","Cc1cnc2cncnc2n1","Cc1nc2c(nc1)cncn2",{"$nulls":4},146.059246192,"?"]
[2760,"CN(CC1=CC=CC=C1)N=O","937-40-6","CN(Cc1ccccc1)N=O","CN(Cc1ccccc1)N=O",{"$nulls":4},150.07931294,"?"]
[2761,"BrC1=CC(=O)OC2=CC=CC=C12","938-40-9","O=c1cc(Br)c2ccccc2o1","O=c1oc2c(c(c1)Br)cccc2",{"$nulls":4},223.9472915,"?"]
[2762,"COC1=CC(Cl)=C(Cl)C(Cl)=C1Cl","938-86-3","COc1cc(Cl)c(Cl)c(Cl)c1Cl","COc1c(c(c(c(c1)Cl)Cl)Cl)Cl",{"$nulls":4},243.901625468,"?"]
[2763,"CCC1=CC=C2C=CC=CC2=C1","939-27-5","CCc1ccc2ccccc2c1","CCc1cc2c(cc1)cccc2",{"$nulls":4},156.093900384,"?"]
[2764,"CC1=CC=C(OCC(O)=O)C=C1","940-64-7","Cc1ccc(OCC(=O)O)cc1","Cc1ccc(cc1)OCC(=O)O",{"$nulls":4},166.06299418,"?"]
[2765,"COC1=CC=C(C=CC(O)=O)C=C1","943-89-5","COc1ccc(C=CC(=O)O)cc1","COc1ccc(cc1)C=CC(=O)O",{"$nulls":4},178.06299418,"?"]
[2766,"CCOP(=S)(CC)SC1=CC=CC=C1","944-22-9","CCOP(=S)(CC)Sc1ccccc1","CCOP(=S)(CC)Sc1ccccc1","FONOP[H]OS",{"$nulls":3},393.993547568,"?"]
[2767,"COC1=C(OC)C(Cl)=C(Cl)C(Cl)=C1Cl","944-61-6","COc1c(Cl)c(Cl)c(Cl)c(Cl)c1OC","COc1c(c(c(c(c1Cl)Cl)Cl)Cl)OC",{"$nulls":4},273.91219015200016,"?"]
[2768,"CCOP(=O)(OCC)N=C1SCCS1","947-02-4","CCOP(=O)(N=C1SCCS1)OCC","CCOP(=O)(N=C1SCCS1)OCC",{"$nulls":4},255.015271938,"?"]
[2769,"O=C1CCCCCCCCCCCN1","947-04-6","O=C1CCCCCCCCCCCN1","O=C1NCCCCCCCCCCC1",{"$nulls":4},197.177964356,"?"]
[2770,"CCOP(=O)(OCC)N=C1SCC(C)S1","950-10-7","CCOP(=O)(N=C1SCC(C)S1)OCC","CCOP(=O)(N=C1SC(CS1)C)OCC",{"$nulls":4},269.03092200200035,"?"]
[2771,"COC1=NN(CSP(=S)(OC)OC)C(=O)S1","950-37-8","COc1nn(CSP(=S)(OC)OC)c(=O)s1","COc1sc(n(n1)CSP(=S)(OC)OC)=O",{"$nulls":4},301.96185646200036,"?"]
[2772,"Cl.NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1","952-23-8","Nc1ccc2cc3ccc(N)cc3nc2c1","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2","Cl",{"$nulls":3},245.071975064,"?"]
[2773,"O=C(NCN1CCOCC1)C1=CN=CC=N1","952-54-5","O=C(NCN1CCOCC1)c1cnccn1","O=C(NCN1CCOCC1)c2nccnc2",{"$nulls":4},222.111675688,"?"]
[2774,"COP(=S)(OC)SCSC1=CC=C(Cl)C=C1","953-17-3","COP(=S)(OC)SCSc1ccc(Cl)cc1","COP(=S)(OC)SCSc1ccc(cc1)Cl",{"$nulls":4},313.9425569340003,"?"]
[2775,"CN(C)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1","957-51-7","CN(C)C(=O)C(c1ccccc1)c1ccccc1","CN(C)C(=O)C(c1ccccc1)c2ccccc2",{"$nulls":4},239.131014164,"?"]
[2776,"ClC1=C(Cl)[C]2(Cl)[CH]3COS(=O)OC[CH]3[C]1(Cl)C2(Cl)Cl","959-98-8","O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},403.81688113200016,"?"]
[2777,"COP(=O)(OC)OC(=CCl)C1=C(Cl)C=C(Cl)C(Cl)=C1","961-11-5","COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},363.89925611800027,"?"]
[2778,"[O-][N+](=O)C1=CC(=C(NC2=CC=CC=C2)C=C1)[N+]([O-])=O","961-68-2","O=[N+]([O-])c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)Nc2ccccc2)[N+](=O)[O-]",{"$nulls":4},259.0593057680001,"?"]
[2779,"CCOC1=CC=C(NS(=O)(=O)C2=CC=C(N)C=C2)N=N1","963-14-4","CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1","CCOc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},294.07866130800045,"?"]
[2780,null,"963-85-9",{"$nulls":7},""]
[2781,null,"963-86-0",{"$nulls":7},""]
[2782,"CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1","968-81-0","CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2",{"$nulls":4},324.11437812000054,"?"]
[2783,"CC(=O)[C]1(C)CC[CH]2[CH]3C=C(C)C4=CC(=O)CC[C]4(C)[CH]3CC[C]12C","977-79-7","CC(=O)C1(C)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C",{"$nulls":4},340.2402302640009,"?"]
[2784,"OC(C1=CC2C3C(C1C2=C(C1=CC=CC=C1)C1=CC=CC=N1)C(=O)NC3=O)(C1=CC=CC=C1)C1=NC=CC=C1","991-42-4","O=C1NC(=O)C2C3C(C(O)(c4ccccc4)c4ccccn4)=CC(C3=C(c3ccccc3)c3ccccn3)C12","O=C1C2C(C(N1)=O)C3C(C2C=C3C(O)(c4ccccc4)c5ncccc5)=C(c6ccccc6)c7ncccc7",{"$nulls":4},511.1895916600007,"?"]
[2785,"CP(O)(O)=O","993-13-5","CP(=O)(O)O","CP(=O)(O)O",{"$nulls":4},95.99763065,"?"]
[2786,"CC(C)N(C)C","996-35-0","CC(C)N(C)C","CC(C)N(C)C",{"$nulls":4},87.10479941599999,"?"]
[2787,"CCOC(=O)CO[N+]([O-])=O","999-17-7","CCOC(=O)CO[N+](=O)[O-]","CCOC(=O)CO[N+](=O)[O-]",{"$nulls":4},149.032422324,"?"]
[2788,null,"999-30-4",{"$nulls":7},""]
[2789,"CC(O)COC(=O)C=C","999-61-1","C=CC(=O)OCC(C)O","C=CC(=O)OCC(C)O",{"$nulls":4},130.06299418,"?"]
[2790,"NC(=O)NCO","1000-82-4","NC(=O)NCO","NC(=O)NCO",{"$nulls":4},90.042927432,"?"]
[2791,"CCCCCO[N+]([O-])=O","1002-16-0","CCCCCO[N+](=O)[O-]","CCCCCO[N+](=O)[O-]",{"$nulls":4},133.073893212,"?"]
[2792,"CC1CCC(C)O1","1003-38-9","CC1CCC(C)O1","CC1OC(CC1)C",{"$nulls":4},100.088815004,"?"]
[2793,"CC1=CC=[N+]([O-])C=C1","1003-67-4","Cc1cc[n+]([O-])cc1","Cc1cc[n+](cc1)[O-]",{"$nulls":4},109.052763844,"?"]
[2794,"CC1=CC=C[N+]([O-])=C1","1003-73-2","Cc1ccc[n+]([O-])c1","Cc1c[n+](ccc1)[O-]",{"$nulls":4},109.052763844,"?"]
[2795,"CCNC1=NC(N)=NC(Cl)=N1","1007-28-9","CCNc1nc(N)nc(Cl)n1","CCNc1nc(nc(n1)N)Cl",{"$nulls":4},173.04682293599998,"?"]
[2796,"O=C1CCCCCCCCCN1","1009-89-8","O=C1CCCCCCCCCN1","O=C1NCCCCCCCCC1",{"$nulls":4},169.146664228,"?"]
[2797,"CNC1=NC(SC)=NC(NC(C)C)=N1","1014-69-3","CNc1nc(NC(C)C)nc(SC)n1","CNc1nc(nc(n1)NC(C)C)SC",{"$nulls":4},213.10481647999998,"?"]
[2798,"CCNC1=NC(SC)=NC(NCC)=N1","1014-70-6","CCNc1nc(NCC)nc(SC)n1","CCNc1nc(nc(n1)NCC)SC",{"$nulls":4},213.10481647999998,"?"]
[2799,"CCCCN1C=NC2=C1C(=O)N(C)C(=O)N2C","1021-65-4","CCCCn1cnc2c1c(=O)n(C)c(=O)n2C","CCCCn1c2c(nc1)n(c(n(c2=O)C)=O)C",{"$nulls":4},236.127325752,"?"]
[2800,"O=C1OC(=NC2=CC=CC=C12)C1=CC=CC=C1","1022-46-4","O=c1oc(-c2ccccc2)nc2ccccc12","O=c1c2c(nc(o1)-c3ccccc3)cccc2",{"$nulls":4},223.063328528,"?"]
[2801,"ClC1C2OC2C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","1024-57-3","ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C(O4)C3Cl)Cl",{"$nulls":4},385.81600854000015,"?"]
[2802,"ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl","1031-07-8","O=S1(=O)OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1(OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)=O",{"$nulls":4},419.81179575200014,"?"]
[2803,"CN(C)P(=O)(N(C)C)N1N=C(N=C1N)C1=CC=CC=C1","1031-47-6","CN(C)P(=O)(N(C)C)n1nc(-c2ccccc2)nc1N","CN(C)P(=O)(N(C)C)n1c(nc(n1)-c2ccccc2)N",{"$nulls":4},294.1357958580005,"?"]
[2804,"OC(=O)CNC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","1032-44-6","O=C(O)CNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)CNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},286.0185631520001,"?"]
[2805,"CCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1","1034-01-1","CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1","CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O",{"$nulls":4},282.14672380400066,"?"]
[2806,"OS(O)(=O)=O.CC1=CC=C(C=C1)C1(O)CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1","1050-79-9","Cc1ccc(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1","Cc1ccc(cc1)C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O","OS(O)(=O)=O",{"$nulls":3},453.16213683600074,"?"]
[2807,"C[Si](C)(O)O","1066-42-8","C[Si](C)(O)O","C[Si](C)(O)O",{"$nulls":4},92.029356026,"?"]
[2808,"CC[Pb](Cl)(CC)CC","1067-14-7","CC[Pb](Cl)(CC)CC","CC[Pb](Cl)(CC)CC",{"$nulls":4},330.0628802600004,"?"]
[2809,"CCCC[Sn](CCCC)(OC(C)=O)OC(C)=O","1067-33-0","CCCC[Sn](CCCC)(OC(C)=O)OC(C)=O","CCCC[Sn](CCCC)(OC(C)=O)OC(C)=O",{"$nulls":4},352.0696539480006,"?"]
[2810,null,"1069-00-7",{"$nulls":7},""]
[2811,null,"1071-83-6",{"$nulls":7},""]
[2812,"SC1=NN=C(S)S1","1072-71-5","Sc1nnc(S)s1","Sc1sc(nn1)S",{"$nulls":4},149.938011064,"?"]
[2813,"FC1=C(Br)C=CC=C1","1072-85-1","Fc1ccccc1Br","Fc1c(cccc1)Br",{"$nulls":4},173.948040448,"?"]
[2814,"FC1=CC(Br)=CC=C1","1073-06-9","Fc1cccc(Br)c1","Fc1cc(ccc1)Br",{"$nulls":4},173.948040448,"?"]
[2815,"OC1=CN(N=C1)C1=CC=CC=C1","1076-60-4","Oc1cnn(-c2ccccc2)c1","Oc1cn(nc1)-c2ccccc2",{"$nulls":4},160.063662876,"?"]
[2816,"CCCCCCC1=CC=CC=C1","1077-16-3","CCCCCCc1ccccc1","CCCCCCc1ccccc1",{"$nulls":4},162.140850576,"?"]
[2817,"CCCCCCCC1=CC=CC=C1","1078-71-3","CCCCCCCc1ccccc1","CCCCCCCc1ccccc1",{"$nulls":4},176.15650064,"?"]
[2818,null,"1079-02-3",{"$nulls":7},""]
[2819,"CC1=CC=C(C=C1)S(=O)(=O)NCC(O)=O","1080-44-0","Cc1ccc(S(=O)(=O)NCC(=O)O)cc1","Cc1ccc(cc1)S(=O)(=O)NCC(=O)O",{"$nulls":4},229.040878832,"?"]
[2820,"CCCCCCOC(=O)C1=CC=C(O)C=C1","1083-27-8","CCCCCCOC(=O)c1ccc(O)cc1","CCCCCCOC(=O)c1ccc(cc1)O",{"$nulls":4},222.125594436,"?"]
[2821,"CCCCCCCOC(=O)C1=CC=C(O)C=C1","1085-12-7","CCCCCCCOC(=O)c1ccc(O)cc1","CCCCCCCOC(=O)c1ccc(cc1)O",{"$nulls":4},236.1412445,"?"]
[2822,"CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)C1=CC=CC=C1","1085-98-9","CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1","CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1",{"$nulls":4},331.9623031720003,"?"]
[2823,"CC(C)(C)C(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[CH]3[CH](O)C[C]12C","1107-99-9","CC(C)(C)C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C","CC(C)(C)C(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O",{"$nulls":4},444.25118887200097,"?"]
[2824,"CNC(=O)CSP(=O)(OC)OC","1113-02-6","CNC(=O)CSP(=O)(OC)OC","CNC(=O)CSP(=O)(OC)OC",{"$nulls":4},213.022465494,"?"]
[2825,"CCCCN(CC)C(=O)SCCC","1114-71-2","CCCCN(CC)C(=O)SCCC","CCCCN(CC)C(=O)SCCC",{"$nulls":4},203.134385292,"?"]
[2826,"CSCCC(NC(C)=O)C(O)=O","1115-47-5","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",{"$nulls":4},191.061614276,"?"]
[2827,null,"1115-51-1",{"$nulls":7},""]
[2828,null,"1115-61-3",{"$nulls":7},""]
[2829,null,"1115-90-8",{"$nulls":7},""]
[2830,"OCCN(CCO)N=O","1116-54-7","O=NN(CCO)CCO","O=NN(CCO)CCO",{"$nulls":4},134.06914218,"?"]
[2831,"CCCCCCCCN(CCCCCCCC)CCCCCCCC","1116-76-3","CCCCCCCCN(CCCCCCCC)CCCCCCCC","CCCCCCCCN(CCCCCCCC)CCCCCCCC",{"$nulls":4},353.4021506320014,"?"]
[2832,"CC(C)(C)NC(N)=O","1118-12-3","CC(C)(C)NC(N)=O","CC(C)(C)NC(N)=O",{"$nulls":4},116.094963004,"?"]
[2833,"C[Si](C)(O)O[Si](C)(C)O","1118-15-6","C[Si](C)(O)O[Si](C)(C)O","C[Si](C)(O)O[Si](C)(C)O",{"$nulls":4},166.048147368,"?"]
[2834,"COC(=O)CCCC(=O)OC","1119-40-0","COC(=O)CCCC(=O)OC","COC(=O)CCCC(=O)OC",{"$nulls":4},160.073558864,"?"]
[2835,"OC(=O)CCSSCCC(O)=O","1119-62-6","O=C(O)CCSSCCC(=O)O","O=C(O)CCSSCCC(=O)O",{"$nulls":4},210.0020508,"?"]
[2836,"CCCCC#CC","1119-65-9","CC#CCCCC","CC#CCCCC",{"$nulls":4},96.093900384,"?"]
[2837,"CCCCCCCCCCC","1120-21-4","CCCCCCCCCCC","CCCCCCCCCCC",{"$nulls":4},156.187800768,"?"]
[2838,"CC1=NC=C(C)C(C)=C1","1122-39-0","Cc1cc(C)c(C)cn1","Cc1ncc(c(c1)C)C",{"$nulls":4},121.08914935199999,"?"]
[2839,"CN(C)C1=CC=NC=C1","1122-58-3","CN(C)c1ccncc1","CN(C)c1ccncc1",{"$nulls":4},122.08439831999999,"?"]
[2840,"CCC1=CC=CC(C)=N1","1122-69-6","CCc1cccc(C)n1","CCc1nc(ccc1)C",{"$nulls":4},121.08914935199999,"?"]
[2841,"OC(=O)C1(O)CCCCC1","1123-28-0","O=C(O)C1(O)CCCCC1","O=C(O)C1(CCCCC1)O",{"$nulls":4},144.07864424399997,"?"]
[2842,"CC1=CC(Cl)=CC(C)=C1O","1123-63-3","Cc1cc(Cl)cc(C)c1O","Cc1c(c(cc(c1)Cl)C)O",{"$nulls":4},156.034192588,"?"]
[2843,null,"1125-78-6",{"$nulls":7},""]
[2844,"ClC1=NC2=CN=CN=C2N=C1","1125-82-2","Clc1cnc2ncncc2n1","Clc1nc2c(nc1)ncnc2",{"$nulls":4},166.004623776,"?"]
[2845,"ClC1=NC2=NC=NC=C2N=C1","1125-84-4","Clc1cnc2cncnc2n1","Clc1nc2c(nc1)cncn2",{"$nulls":4},166.004623776,"?"]
[2846,"OC1=C(O)C=C(CC=C)C=C1","1126-61-0","C=CCc1ccc(O)c(O)c1","C=CCc1cc(c(cc1)O)O",{"$nulls":4},150.06807956,"?"]
[2847,"CCC1=CC=CC2=C1C=CC=C2","1127-76-0","CCc1cccc2ccccc12","CCc1c2c(ccc1)cccc2",{"$nulls":4},156.093900384,"?"]
[2848,"CN=C(O)OC1=CC=CC(C)=C1","1129-41-5","CN=C(O)Oc1cccc(C)c1","CN=C(O)Oc1cc(ccc1)C",{"$nulls":4},165.078978592,"?"]
[2849,"CC1=NN(C(N)=C1)C1=CC=CC=C1","1131-18-6","Cc1cc(N)n(-c2ccccc2)n1","Cc1nn(c(c1)N)-c2ccccc2",{"$nulls":4},173.095297352,"?"]
[2850,"OC1=CC=C(C=C1)C1CCCCC1","1131-60-8","Oc1ccc(C2CCCCC2)cc1","Oc1ccc(cc1)C2CCCCC2",{"$nulls":4},176.120115132,"?"]
[2851,null,"1134-23-2",{"$nulls":7},""]
[2852,"Cl[Sn](Cl)(C1=CC=CC=C1)C1=CC=CC=C1","1135-99-5","Cl[Sn](Cl)(c1ccccc1)c1ccccc1","Cl[Sn](Cl)(c1ccccc1)c2ccccc2",{"$nulls":4},343.91815038000027,"?"]
[2853,"CCCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O","1143-30-2","CCCCn1c(=O)c2c(ncn2C)n(C)c1=O","CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",{"$nulls":4},236.127325752,"?"]
[2854,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1","1156-19-0","Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1","Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2",{"$nulls":4},311.1303625320006,"?"]
[2855,"NCC1=CC=C(C=C1)S(N)(=O)=O.NC(=S)NS(=O)(=O)C1=CC=C(N)C=C1","1161-88-2","NC(=S)NS(=O)(=O)c1ccc(N)cc1","NC(=S)NS(=O)(=O)c1ccc(cc1)N","NCc1ccc(cc1)S(N)(=O)=O",{"$nulls":3},417.059917088,"?"]
[2856,"C[CH]1C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]2(C)[C]1(O)C(=O)COC(C)=O","1177-87-3","CC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O",{"$nulls":4},434.21046693200077,"?"]
[2857,"[H][C]12CC[C]3([H])[C]([H])(CC[C]4(C)[CH](CC[C]34O)C3=CC(=O)OC3)[C]1(CC[CH](C2)O[C]1([H])O[CH](C)[CH](O)[CH](OC)[CH]1O)C=O","1182-87-2","COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1O","COC1C(C(OC(C1O)C)OC2CC3C(CC2)(C4C(CC3)C5(C(CC4)(C)C(C=6COC(C6)=O)CC5)O)C=O)O",{"$nulls":4},548.2985329880009,"?"]
[2858,"CCC(C)(C)CO","1185-33-7","CCC(C)(C)CO","CCC(C)(C)CO",{"$nulls":4},102.104465068,"?"]
[2859,"CCC(C(C)C(O)=O)C(O)=O","1186-78-3","CCC(C(=O)O)C(C)C(=O)O","CCC(C(=O)O)C(C)C(=O)O",{"$nulls":4},160.073558864,"?"]
[2860,null,"1186-79-4",{"$nulls":7},""]
[2861,"NC(C(O)C(O)=O)C(O)=O","1186-90-9","NC(C(=O)O)C(O)C(=O)O","NC(C(=O)O)C(O)C(=O)O",{"$nulls":4},149.032422324,"?"]
[2862,"CCN(CC)C(=O)N(CC)CC","1187-03-7","CCN(CC)C(=O)N(CC)CC","CCN(CC)C(=O)N(CC)CC",{"$nulls":4},172.15756326,"?"]
[2863,null,"1187-50-4",{"$nulls":7},""]
[2864,"CC(C)C[CH](NC(C)=O)C(O)=O","1188-21-2","CC(=O)NC(CC(C)C)C(=O)O","CC(=O)NC(CC(C)C)C(=O)O",{"$nulls":4},173.10519334,"?"]
[2865,null,"1193-11-9",{"$nulls":7},""]
[2866,"OC1=CC(O)=NC=N1","1193-24-4","Oc1cc(O)ncn1","Oc1ncnc(c1)O",{"$nulls":4},112.027277368,"?"]
[2867,"ClC1=CC=CC(Cl)=C1C#N","1194-65-6","N#Cc1c(Cl)cccc1Cl","N#Cc1c(cccc1Cl)Cl",{"$nulls":4},170.964254456,"?"]
[2868,"OC1=CC(C=O)=C(O)C=C1","1194-98-5","O=Cc1cc(O)ccc1O","O=Cc1c(ccc(c1)O)O",{"$nulls":4},138.031694052,"?"]
[2869,"NCC1CCC(CC1)C(O)=O","1197-18-8","NCC1CCC(C(=O)O)CC1","NCC1CCC(CC1)C(=O)O",{"$nulls":4},157.11027872,"?"]
[2870,"CC1=CC(C)=C2C=CC=CC2=N1","1198-37-4","Cc1cc(C)c2ccccc2n1","Cc1nc2c(c(c1)C)cccc2",{"$nulls":4},157.089149352,"?"]
[2871,"OC1=C(O)C(Cl)=C(Cl)C(Cl)=C1Cl","1198-55-6","Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl","Oc1c(c(c(c(c1O)Cl)Cl)Cl)Cl",{"$nulls":4},245.880890024,"?"]
[2872,"CN(C)CCCC1=CC=CC=C1","1199-99-1","CN(C)CCCc1ccccc1","CN(C)CCCc1ccccc1",{"$nulls":4},163.136099544,"?"]
[2873,null,"1205-02-3",{"$nulls":7},""]
[2874,"COC(=O)CNC(=O)C1=CC=CC=C1","1205-08-9","COC(=O)CNC(=O)c1ccccc1","COC(=O)CNC(=O)c1ccccc1",{"$nulls":4},193.073893212,"?"]
[2875,"CN1C2=CC=CC=C2SC2=C1C=CC=C2","1207-72-3","CN1c2ccccc2Sc2ccccc21","CN1c2c(Sc3c1cccc3)cccc2",{"$nulls":4},213.061220352,"?"]
[2876,"C(NC1=C2N=CN=C2N=CN1)C1=CC=CC=C1","1214-39-7","c1ccc(CNc2[nH]cnc3ncnc2-3)cc1","c1ccc(cc1)CNc2c3-c(nc[nH]2)ncn3",{"$nulls":4},225.10144535199998,"?"]
[2877,"CCCCCCCCOC(=O)C1=CC=C(O)C=C1","1219-38-1","CCCCCCCCOC(=O)c1ccc(O)cc1","CCCCCCCCOC(=O)c1ccc(cc1)O",{"$nulls":4},250.156894564,"?"]
[2878,"CC1C(C)(C)C2=CC3=C(C=C2C1(C)C)C(C)COC3","1222-05-5","CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C","CC1c2c(COC1)cc3C(C(C(c3c2)(C)C)C)(C)C",{"$nulls":4},258.1983654520001,"?"]
[2879,"[Br-].CC[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12","1239-45-8","CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21","CC[n+]1c2c(c3c(c1-c4ccccc4)cc(N)cc3)ccc(N)c2","[Br-]",{"$nulls":3},393.0840597400006,"?"]
[2880,"CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1","1241-94-7","CCCCC(CC)COP(=O)(Oc1ccccc1)Oc1ccccc1","CCCCC(CC)COP(=O)(Oc1ccccc1)Oc2ccccc2",{"$nulls":4},362.1646959740007,"?"]
[2881,"CN1N(C(=O)C(CC2=C(C)N(C)N(C2=O)C2=CC=CC=C2)=C1C)C1=CC=CC=C1","1251-85-0","Cc1c(Cc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1Cc2c(n(n(c2C)C)-c3ccccc3)=O)=O)-c4ccccc4)C",{"$nulls":4},388.18992600800067,"?"]
[2882,"CC1=C2C(=O)C3=C(C(O)=C(O)C([CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O","1260-17-9","Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O",{"$nulls":4},492.0903907000004,"?"]
[2883,null,"1300-21-6",{"$nulls":7},""]
[2884,"C*.C*.NC1=CC=CC=C1 |c:5,7,t:3,lp:4:1,m:1:9.10,3:6.7.8.9|","1300-73-8","*C","*C","C*","Nc1ccccc1",null,null,{"$error":"#NUM!"},"Errors in neutralization"]
[2885,null,"1321-04-6",{"$nulls":7},""]
[2886,null,"1321-16-0",{"$nulls":7},""]
[2887,null,"1321-65-9",{"$nulls":7},""]
[2888,"C*.C1=CC2=C(C=C1)C=CC=C2 |c:1,5,8,10,m:1:10.11|","1321-94-4","*C","*C","c1cc2c(cc1)cccc2",{"$nulls":3},{"$error":"#NUM!"},"Errors in neutralization"]
[2889,null,"1330-20-7",{"$nulls":7},""]
[2890,null,"1330-78-5",{"$nulls":7},""]
[2891,null,"1331-22-2",{"$nulls":7},""]
[2892,null,"1333-17-1",{"$nulls":7},""]
[2893,null,"1333-38-6",{"$nulls":7},""]
[2894,null,"1335-08-6",{"$nulls":7},""]
[2895,"[*]C1=C([*])C([*])=C(C([*])=C1[*])C1=C([*])C([*])=C([*])C([*])=C1[*] |$_R1;;;_R1;;_R1;;;_R1;;_R1;;;_R1;;_R1;;_R1;;_R1;;_R1$,c:1,5,8,12,20,t:16,RG:_R1={Cl* |$;_AP1$,lp:0:3|},LOG={_R1:;H;u003e0}|","1336-36-3","*c1c(*)c(*)c(-c2c(*)c(*)c(*)c(*)c2*)c(*)c1*","*c1c(*)c(*)c(-c2c(*)c(*)c(*)c(*)c2*)c(*)c1*","PCBS",{"$nulls":3},{"$error":"#NUM!"},"Errors in neutralization"]
[2896,null,"1390-65-4",{"$nulls":7},""]
[2897,null,"1400-61-9",{"$nulls":7},""]
[2898,"OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)[CH]1C2=CC=CC(O)=C2C(=O)C2=C1C=C(CO)C=C2O","1415-73-2","O=C1c2c(O)cccc2C(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21","O=C1c2c(C(c3c1c(O)ccc3)C4C(C(C(C(O4)CO)O)O)O)cc(CO)cc2O",{"$nulls":4},418.12638228400056,"?"]
[2899,"NCCO.OC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=C(C=C1Cl)[N+]([O-])=O","1420-04-8","O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O","NCCO",{"$nulls":3},387.03887594000025,"?"]
[2900,"C1CN(CCO1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1","1420-06-0","c1ccc(C(c2ccccc2)(c2ccccc2)N2CCOCC2)cc1","c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCOCC4",{"$nulls":4},329.17796435600064,"?"]
[2901,"CC(C)(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O","1420-07-1","CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","CC(C)(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",{"$nulls":4},240.074621484,"?"]
[2902,"OC1=CC=C(C=C1)N=NC1=CC=C(C=C1)[N+]([O-])=O","1435-60-5","O=[N+]([O-])c1ccc(N=Nc2ccc(O)cc2)cc1","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)O",{"$nulls":4},243.064391148,"?"]
[2903,"CC(C)OP(C)(=O)OC(C)C","1445-75-6",null,null,"CC(C)OP(C)(=O)OC(C)C",{"$nulls":3},467.9789268220002,"?"]
[2904,"NC(=O)C1=CC=CC=N1","1452-77-3","NC(=O)c1ccccn1","NC(=O)c1ncccc1",{"$nulls":4},122.048012812,"?"]
[2905,"CCCCCCCCCCCCCCCCCO","1454-85-9","CCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCO",{"$nulls":4},256.276615772,"?"]
[2906,"CC1CN(CC(C)O1)N=O","1456-28-6","CC1CN(N=O)CC(C)O1","CC1OC(CN(C1)N=O)C",{"$nulls":4},144.089877624,"?"]
[2907,"COC(=O)C1=CC(=CC=C1)C(=O)OC","1459-93-4","COC(=O)c1cccc(C(=O)OC)c1","COC(=O)c1cc(ccc1)C(=O)OC",{"$nulls":4},194.0579088,"?"]
[2908,"CCCC[Sn](Cl)(CCCC)CCCC","1461-22-9","CCCC[Sn](Cl)(CCCC)CCCC","CCCC[Sn](Cl)(CCCC)CCCC",{"$nulls":4},326.08232324400075,"?"]
[2909,"CC1=NC(C)=C(C)C=C1","1462-84-6","Cc1ccc(C)c(C)n1","Cc1nc(c(cc1)C)C",{"$nulls":4},121.08914935199999,"?"]
[2910,"OC[CH]1O[CH](OC2=CC=CC=C2)[CH](O)[CH](O)[CH]1O","1464-44-4","OCC1OC(Oc2ccccc2)C(O)C(O)C1O","OCC1C(C(C(C(O1)Oc2ccccc2)O)O)O",{"$nulls":4},256.094688232,"?"]
[2911,"C1OC1C1CO1","1464-53-5","C1OC1C1CO1","C1C(O1)C2OC2",{"$nulls":4},86.036779432,"?"]
[2912,"OC1=CC2=C(CCC2)C=C1","1470-94-6","Oc1ccc2c(c1)CCC2","Oc1cc2c(cc1)CCC2",{"$nulls":4},134.07316494,"?"]
[2913,"ClCC=CCCl","1476-11-5","ClCC=CCCl","ClCC=CCCl",{"$nulls":4},123.98465555199999,"?"]
[2914,"CCC1CCCCN1","1484-80-6","CCC1CCCCN1","CCC1NCCCC1",{"$nulls":4},113.12044947999999,"?"]
[2915,"CC(C)C1CCC(C)CC1O","1490-04-6","CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O",{"$nulls":4},156.15141526,"?"]
[2916,"O=C1CCCCC1C1=CCCCC1","1502-22-3","O=C1CCCCC1C1=CCCCC1","O=C1C(CCCC1)C=2CCCCC2",{"$nulls":4},178.135765196,"?"]
[2917,"CC(=O)OC1=CC=C(Br)C=C1C(O)=O","1503-53-3","CC(=O)Oc1ccc(Br)cc1C(=O)O","CC(=O)Oc1c(cc(cc1)Br)C(=O)O",{"$nulls":4},257.95277080400007,"?"]
[2918,null,"1509-92-8",{"$nulls":7},""]
[2919,"C[CH](O)C1=CC=CC=C1","1517-69-7","CC(O)c1ccccc1","CC(O)c1ccccc1",{"$nulls":4},122.07316494,"?"]
[2920,"[Cl-].C[Pb+](C)C","1520-78-1","C[Pb+](C)C","C[Pb+](C)C","[Cl-]",{"$nulls":3},288.015930068,"Errors in neutralization"]
[2921,"CCN(CC)C(=O)CCC(O)=O","1522-00-5","CCN(CC)C(=O)CCC(=O)O","CCN(CC)C(=O)CCC(=O)O",{"$nulls":4},173.10519334,"?"]
[2922,"CNC(=O)OC1=CC=CC2=C1OC(C)(C)C2","1563-66-2","CNC(=O)Oc1cccc2c1OC(C)(C)C2","CNC(=O)Oc1c2c(ccc1)CC(O2)(C)C",{"$nulls":4},221.10519334,"?"]
[2923,"CC(=C)C(=O)OCC(O)COC1=CC=C(C=C1)C(C)(C)C1=CC=C(OCC(O)COC(=O)C(C)=C)C=C1","1565-94-2","C=C(C)C(=O)OCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COC(=O)C(=C)C)cc2)cc1","C=C(C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(cc2)OCC(O)COC(=O)C(=C)C",{"$nulls":4},512.2410181120009,"?"]
[2924,"COC1=CC=C(NC(N)=O)C=C1","1566-42-3","COc1ccc(NC(N)=O)cc1","COc1ccc(cc1)NC(N)=O",{"$nulls":4},166.07422756,"?"]
[2925,"COC1=CC(=C(O)C=C1)[N+]([O-])=O","1568-70-3","COc1ccc(O)c([N+](=O)[O-])c1","COc1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},169.037507704,"?"]
[2926,"CCCOCC(C)O","1569-01-3","CCCOCC(C)O","CCCOCC(C)O",{"$nulls":4},118.099379688,"?"]
[2927,"CC=CC(C)O","1569-50-2","CC=CC(C)O","CC=CC(C)O",{"$nulls":4},86.07316494,"?"]
[2928,"CC1=C(O)C=CC(Cl)=C1","1570-64-5","Cc1cc(Cl)ccc1O","Cc1c(ccc(c1)Cl)O",{"$nulls":4},142.018542524,"?"]
[2929,"CC1=C(O)C(Cl)=CC(Cl)=C1","1570-65-6","Cc1cc(Cl)cc(Cl)c1O","Cc1c(c(cc(c1)Cl)Cl)O",{"$nulls":4},175.979570172,"?"]
[2930,"OP(O)(=O)C1=CC=CC=C1","1571-33-1","O=P(O)(O)c1ccccc1","O=P(O)(O)c1ccccc1",{"$nulls":4},158.013280714,"?"]
[2931,"NC(=O)C1=CC(=CC=C1)S(N)(=O)=O","1576-42-7","NC(=O)c1cccc(S(N)(=O)=O)c1","NC(=O)c1cc(ccc1)S(N)(=O)=O",{"$nulls":4},200.025563116,"?"]
[2932,"OC(=O)C=C(Br)Br","1578-21-8","O=C(O)C=C(Br)Br","O=C(O)C=C(Br)Br",{"$nulls":4},227.842153504,"?"]
[2933,null,"1578-72-9",{"$nulls":7},""]
[2934,"CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","1582-09-8","CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},335.1092906520004,"?"]
[2935,"CCCCOC(=O)CC(O)C(=O)OCCCC","1587-18-4","CCCCOC(=O)CC(O)C(=O)OCCCC","CCCCOC(=O)CC(O)C(=O)OCCCC",{"$nulls":4},246.146723804,"?"]
[2936,"CC(NC(O)=N)NC(O)=N","1589-36-2","CC(NC(=N)O)NC(=N)O","CC(NC(=N)O)NC(=N)O",{"$nulls":4},146.08037556,"?"]
[2937,"NC(=O)NN=C1CCCCC1","1589-61-3","NC(=O)NN=C1CCCCC1","NC(=O)NN=C1CCCCC1",{"$nulls":4},155.105862036,"?"]
[2938,"OC(=O)CCC(=O)C1=CC2=CC=CC=C2C=C1","1590-22-3","O=C(O)CCC(=O)c1ccc2ccccc2c1","O=C(O)CCC(=O)c1cc2c(cc1)cccc2",{"$nulls":4},228.078644244,"?"]
[2939,"CN(C)NC(=O)CCC(O)=O","1596-84-5","CN(C)NC(=O)CCC(=O)O","CN(C)NC(=O)CCC(=O)O",{"$nulls":4},160.084792244,"?"]
[2940,"[Hg++].CC([O-])=O.CC([O-])=O","1600-27-7","[Hg+2]","[Hg+2]","CC([O-])=O","CC([O-])=O",null,null,319.99725167200006,"?"]
[2941,"OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O","1607-17-6","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]",{"$nulls":4},271.02879348800025,"?"]
[2942,"CCNC1=NC(NC(C)C)=NC(OC)=N1","1610-17-9","CCNc1nc(NC(C)C)nc(OC)n1","CCNc1nc(nc(n1)NC(C)C)OC",{"$nulls":4},211.14331016399998,"?"]
[2943,"COC1=NC(NC(C)C)=NC(NC(C)C)=N1","1610-18-0","COc1nc(NC(C)C)nc(NC(C)C)n1","COc1nc(nc(n1)NC(C)C)NC(C)C",{"$nulls":4},225.15896022799998,"?"]
[2944,"C=CC=CC#N","1615-70-9","C=CC=CC#N","C=CC=CC#N",{"$nulls":4},79.04219916,"?"]
[2945,"[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1","1622-61-3","O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1","O=C1Nc2c(C(=NC1)c3c(cccc3)Cl)cc([N+](=O)[O-])cc2",{"$nulls":4},315.0410688600003,"?"]
[2946,"CN(C)C1CSSC1","1631-58-9","CN(C)C1CSSC1","CN(C)C1CSSC1",{"$nulls":4},149.033291352,"?"]
[2947,"COC(C)(C)C","1634-04-4","COC(C)(C)C","COC(C)(C)C",{"$nulls":4},88.088815004,"?"]
[2948,"CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC","1634-78-2","CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC","CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC",{"$nulls":4},314.0589105780005,"?"]
[2949,"CCCCCCCS","1639-09-4","CCCCCCCS","CCCCCCCS",{"$nulls":4},132.097271512,"?"]
[2950,"CNC(=O)ON=CC(C)(C)S(C)=O","1646-87-3","CNC(=O)ON=CC(C)(C)S(C)=O","CNC(=O)ON=CC(C)(C)S(C)=O",{"$nulls":4},206.072513308,"?"]
[2951,"CNC(=O)ON=CC(C)(C)S(C)(=O)=O","1646-88-4","CNC(=O)ON=CC(C)(C)S(C)(=O)=O","CNC(=O)ON=CC(C)(C)S(C)(=O)=O",{"$nulls":4},222.067427928,"?"]
[2952,"FC(F)(Cl)CCl","1649-08-7","FC(F)(Cl)CCl","FC(F)(Cl)CCl",{"$nulls":4},133.950161864,"?"]
[2953,"CCCCCCCCCC(C)O","1653-30-1","CCCCCCCCCC(C)O","CCCCCCCCCC(C)O",{"$nulls":4},172.182715388,"?"]
[2954,"CC(C)CCCCCO","1653-40-3","CC(C)CCCCCO","CC(C)CCCCCO",{"$nulls":4},130.135765196,"?"]
[2955,"CC1=CN=C2C(C=CC3=C(C)C(C)=CN=C23)=C1C","1660-93-1","Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C","Cc1c(c2c(nc1)c3c(cc2)c(C)c(C)cn3)C",{"$nulls":4},236.131348512,"?"]
[2956,"CN(C)CCC=C1C2=C(COC3=C1C=CC=C3)C=CC=C2","1668-19-5","CN(C)CCC=C1c2ccccc2COc2ccccc21","CN(C)CCC=C1c2c(OCc3c1cccc3)cccc2",{"$nulls":4},279.1623142920006,"?"]
[2957,"CCC1CCCCC1","1678-91-7","CCC1CCCCC1","CCC1CCCCC1",{"$nulls":4},112.12520051199999,"?"]
[2958,"CC12OC1CC1CC2C1(C)C","1686-14-2","CC1(C)C2CC3OC3(C)C1C2","CC1(C2C3(C(CC1C2)O3)C)C",{"$nulls":4},152.120115132,"?"]
[2959,"CC1(C)OC(=O)C2=CC=CC=C12","1689-09-4","CC1(C)OC(=O)c2ccccc21","CC1(c2c(C(O1)=O)cccc2)C",{"$nulls":4},162.06807956,"?"]
[2960,"OC1=CC=C(C=C1)N=NC1=CC=CC=C1","1689-82-3","Oc1ccc(N=Nc2ccccc2)cc1","Oc1ccc(cc1)N=Nc2ccccc2",{"$nulls":4},198.07931294,"?"]
[2961,"OC1=C(I)C=C(C=C1I)C#N","1689-83-4","N#Cc1cc(I)c(O)c(I)c1","N#Cc1cc(c(c(c1)I)O)I",{"$nulls":4},370.83040971600013,"?"]
[2962,"OC1=C(Br)C=C(C=C1Br)C#N","1689-84-5","N#Cc1cc(Br)c(O)c(Br)c1","N#Cc1cc(c(c(c1)Br)O)Br",{"$nulls":4},274.8581379160001,"?"]
[2963,"CCCCCCCC(=O)OC1=C(Br)C=C(C=C1Br)C#N","1689-99-2","CCCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br","CCCCCCCC(=O)Oc1c(cc(cc1Br)C#N)Br",{"$nulls":4},400.9626029840005,"?"]
[2964,"ClC1=C(Cl)C(=O)N(N=C1)C1=CC=CC=C1","1698-53-9","O=c1c(Cl)c(Cl)cnn1-c1ccccc1","O=c1n(ncc(c1Cl)Cl)-c2ccccc2",{"$nulls":4},239.985718172,"?"]
[2965,"NC1=C(Cl)C(=O)N(N=C1)C1=CC=CC=C1","1698-60-8","Nc1cnn(-c2ccccc2)c(=O)c1Cl","Nc1c(c(n(nc1)-c2ccccc2)=O)Cl",{"$nulls":4},221.035589556,"?"]
[2966,"OC(=O)C1=C(Cl)C=CC(Cl)=N1","1702-17-6","O=C(O)c1nc(Cl)ccc1Cl","O=C(O)c1c(ccc(n1)Cl)Cl",{"$nulls":4},190.954083696,"?"]
[2967,null,"1703-58-8",{"$nulls":7},""]
[2968,"CC1=CC2=C(C=CC3=CC=CC=C23)C2=CC=CC=C12","1705-85-7","Cc1cc2c3ccccc3ccc2c2ccccc12","Cc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2",{"$nulls":4},242.109550448,"?"]
[2969,null,"1708-33-4",{"$nulls":7},""]
[2970,"CC(C)O[N+]([O-])=O","1712-64-7","CC(C)O[N+](=O)[O-]","CC(C)O[N+](=O)[O-]",{"$nulls":4},105.042593084,"?"]
[2971,"CC(F)(Cl)Cl","1717-00-6","CC(F)(Cl)Cl","CC(F)(Cl)Cl",{"$nulls":4},115.959583676,"?"]
[2972,"CC1=CC=CC2=C1CC1=C2C=CC=C1","1730-37-6","Cc1cccc2c1Cc1ccccc1-2","Cc1c2c(ccc1)-c3c(C2)cccc3",{"$nulls":4},180.093900384,"?"]
[2973,"COC1=CC2=C(NC3=C(S2)C=CC(Cl)=C3)C=C1","1730-44-5","COc1ccc2c(c1)Sc1ccc(Cl)cc1N2","COc1cc2c(cc1)Nc3c(S2)ccc(Cl)c3",{"$nulls":4},263.0171626200002,"?"]
[2974,"CCCCCCCCC(=O)OC","1731-84-6","CCCCCCCCC(=O)OC","CCCCCCCCC(=O)OC",{"$nulls":4},172.14632988,"?"]
[2975,"C1CC2=CC=C3CCCC4=C3C2=C(C1)C=C4","1732-13-4","c1cc2c3c(ccc4c3c1CCC4)CCC2","c1c2c3c4c(c1)CCCc4ccc3CCC2",{"$nulls":4},208.125200512,"?"]
[2976,"CC(C)C1=CC2=C(C=C1)[C]1(C)CCC[C](C)([CH]1CC2)C(O)=O","1740-19-8","CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C","CC(C)c1cc2c(cc1)C3(C(CC2)C(C)(C(=O)O)CCC3)C",{"$nulls":4},300.2089301360008,"?"]
[2977,"C1NNCN2CNNCN12","1743-13-1","C1NNCN2CNNCN12","C1N2N(CNN1)CNNC2",{"$nulls":4},144.11234438399998,"?"]
[2978,"ClC1=CC2=C(OC3=C(O2)C=C(Cl)C(Cl)=C3)C=C1Cl","1746-01-6","Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2","Clc1c(cc2c(c1)Oc3c(O2)cc(Cl)c(Cl)c3)Cl",{"$nulls":4},319.8965400880001,"?"]
[2979,"CON(C)C(=O)NC1=CC=C(Cl)C=C1","1746-81-2","CON(C)C(=O)Nc1ccc(Cl)cc1","CON(C)C(=O)Nc1ccc(cc1)Cl",{"$nulls":4},214.050905272,"?"]
[2980,"O=C(NC1=CC=CC=C1)C1=CN=CC=C1","1752-96-1","O=C(Nc1ccccc1)c1cccnc1","O=C(Nc1ccccc1)c2cnccc2",{"$nulls":4},198.07931294,"?"]
[2981,"NC1=CC2=C(SN=N2)C=C1","1753-29-3","Nc1ccc2snnc2c1","Nc1cc2c(cc1)snn2",{"$nulls":4},151.02041816,"?"]
[2982,"C[CH](NC(N)=N)C(O)=O","1758-74-3","CC(NC(=N)N)C(=O)O","CC(NC(=N)N)C(=O)O",{"$nulls":4},131.069476528,"?"]
[2983,"OC1=C(C=O)C=C(Br)C=C1","1761-61-1","O=Cc1cc(Br)ccc1O","O=Cc1c(ccc(c1)Br)O",{"$nulls":4},199.9472915,"?"]
[2984,"[NH4+].[S-]C#N","1762-95-4","N#C[S-]","N#CS","[NH4+]",{"$nulls":3},76.009519128,"Structure has been neutralized"]
[2985,"OCC1=C(Cl)C=C(Cl)C=C1","1777-82-8","OCc1ccc(Cl)cc1Cl","OCc1c(cc(cc1)Cl)Cl",{"$nulls":4},175.979570172,"?"]
[2986,"OP(=O)C1=CC=CC=C1","1779-48-2","O=[PH](O)c1ccccc1","O=P(O)c1ccccc1",{"$nulls":4},142.01836609400002,"?"]
[2987,"[O-][N+](=O)CCl","1794-84-9","O=[N+]([O-])CCl","O=[N+]([O-])CCl",{"$nulls":4},94.977405984,"?"]
[2988,"CC(C=NO)=NO","1804-15-5","CC(C=NO)=NO","CC(C=NO)=NO",{"$nulls":4},102.042927432,"?"]
[2989,"OCC1=CC(Cl)=C(Cl)C=C1","1805-32-9","OCc1ccc(Cl)c(Cl)c1","OCc1cc(c(cc1)Cl)Cl",{"$nulls":4},175.979570172,"?"]
[2990,"CCCCOP(=O)OCCCC","1809-19-4","CCCCO[PH](=O)OCCCC","CCCCOP(=O)OCCCC",{"$nulls":4},194.10718109799998,"?"]
[2991,"COCCCNC1=NC(NC(C)C)=NC(Cl)=N1","1824-09-5","COCCCNc1nc(Cl)nc(NC(C)C)n1","COCCCNc1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},259.1199878760001,"?"]
[2992,"ClC1=CC=CC2=C(Cl)C=CC=C12","1825-30-5","Clc1cccc2c(Cl)cccc12","Clc1c2c(ccc1)c(Cl)ccc2",{"$nulls":4},195.984655552,"?"]
[2993,"ClC1=C2C=CC=CC2=C(Cl)C=C1","1825-31-6","Clc1ccc(Cl)c2ccccc12","Clc1c2c(c(cc1)Cl)cccc2",{"$nulls":4},195.984655552,"?"]
[2994,null,"1829-32-9",{"$nulls":7},""]
[2995,"CCN(CC)C(=O)CSC1=NN=C(Cl)C=C1","1830-32-6","CCN(CC)C(=O)CSc1ccc(Cl)nn1","CCN(CC)C(=O)CSc1nnc(cc1)Cl",{"$nulls":4},259.0546107480001,"?"]
[2996,"[O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2)C=C1","1836-75-5","O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",{"$nulls":4},282.9802984440002,"?"]
[2997,"[O-][N+](=O)C1=CC=C(OC2=C(Cl)C=C(Cl)C=C2Cl)C=C1","1836-77-7","O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2Cl)Cl)Cl",{"$nulls":4},316.94132609200017,"?"]
[2998,"CCCC(O)C(C)CC","1838-73-9","CCCC(O)C(C)CC","CCCC(O)C(C)CC",{"$nulls":4},130.135765196,"?"]
[2999,"FC1=CC=C(C=C1)C(CCCN1CCC2(CC1)N(CNC2=O)C1=CC=CC=C1)C1=CC=C(F)C=C1","1841-19-6","O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2","O=C1C2(N(CN1)c3ccccc3)CCN(CC2)CCCC(c4ccc(cc4)F)c5ccc(cc5)F",{"$nulls":4},475.24351905200086,"?"]
[3000,"CCOC(=O)C1=CC2=CC=CC=C2OC1=O","1846-76-0","CCOC(=O)c1cc2ccccc2oc1=O","CCOC(=O)c1c(oc2c(c1)cccc2)=O",{"$nulls":4},218.0579088,"?"]
[3001,"OC(=O)CCCCCCCCCC(O)=O","1852-04-6","O=C(O)CCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCC(=O)O",{"$nulls":4},216.13615912,"?"]
[3002,"COC(=O)C1=C(Cl)C(Cl)=C(C(=O)OC)C(Cl)=C1Cl","1861-32-1","COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl","COC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)OC)Cl)Cl",{"$nulls":4},329.90201939200017,"?"]
[3003,"CCCCN(CC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","1861-40-1","CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},335.1092906520004,"?"]
[3004,"CC(O)COCC1=C(Cl)C(Cl)=CC=C1Cl","1861-44-5","CC(O)COCc1c(Cl)ccc(Cl)c1Cl","CC(O)COCc1c(c(ccc1Cl)Cl)Cl",{"$nulls":4},267.9824626320003,"?"]
[3005,"Cl.CNC1(CCCCC1=O)C1=CC=CC=C1Cl","1867-66-9","CNC1(c2ccccc2Cl)CCCCC1=O","CNC1(C(CCCC1)=O)c2c(cccc2)Cl","Cl",{"$nulls":3},273.068719524,"?"]
[3006,"CC1=C(Cl)C(C)=C(CC2=CC=CC=C2)C(O)=C1","1867-85-2","Cc1cc(O)c(Cc2ccccc2)c(C)c1Cl","Cc1c(c(c(c(c1)O)Cc2ccccc2)C)Cl",{"$nulls":4},246.08114278,"?"]
[3007,"OCCNC(=O)C(=O)NCCO","1871-89-2","O=C(NCCO)C(=O)NCCO","O=C(NCCO)C(=O)NCCO",{"$nulls":4},176.079706864,"?"]
[3008,"NC1=C2N=CN(C2=NC=N1)[C]1(CO)O[CH](CO)[CH](O)[CH]1O","1874-54-0","Nc1ncnc2c1ncn2C1(CO)OC(CO)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3(C(C(C(O3)CO)O)O)CO",{"$nulls":4},297.10731858000037,"?"]
[3009,"CC1=C(OCC(O)=O)C=CC=C1","1878-49-5","Cc1ccccc1OCC(=O)O","Cc1c(cccc1)OCC(=O)O",{"$nulls":4},166.06299418,"?"]
[3010,"OC(=O)COC1=CC=C(C=C1)C1CCCCC1","1878-56-4","O=C(O)COc1ccc(C2CCCCC2)cc1","O=C(O)COc1ccc(cc1)C2CCCCC2",{"$nulls":4},234.12559443599997,"?"]
[3011,"OC(=O)COC1=C(C=CC=C1)[N+]([O-])=O","1878-87-1","O=C(O)COc1ccccc1[N+](=O)[O-]","O=C(O)COc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},197.03242232399998,"?"]
[3012,"CC(C)(C)S(=O)(=O)C(C)(C)C","1886-75-5","CC(C)(C)S(=O)(=O)C(C)(C)C","CC(C)(C)S(=O)(=O)C(C)(C)C",{"$nulls":4},178.102750816,"?"]
[3013,"ClC(Cl)=C(Cl)C(Cl)(Cl)Cl","1888-71-7","ClC(Cl)=C(Cl)C(Cl)(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)(Cl)Cl",{"$nulls":4},245.81311608,"?"]
[3014,"ClC1=C(Cl)C(C#N)=C(Cl)C(C#N)=C1Cl","1897-45-6","N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl","N#Cc1c(c(c(c(c1Cl)Cl)Cl)C#N)Cl",{"$nulls":4},263.88155872,"?"]
[3015,"BrC1=CC=C(O1)C=O","1899-24-7","O=Cc1ccc(Br)o1","O=Cc1oc(cc1)Br",{"$nulls":4},173.931641436,"?"]
[3016,"CC1=CC(=CC=C1)S(N)(=O)=O","1899-94-1","Cc1cccc(S(N)(=O)=O)c1","Cc1cc(ccc1)S(N)(=O)=O",{"$nulls":4},171.035399528,"?"]
[3017,null,"1904-64-9",{"$nulls":7},""]
[3018,"[Cl-].[Cl-].C[N+]1=CC=C(C=C1)C1=CC=[N+](C)C=C1","1910-42-5","C[n+]1ccc(-c2cc[n+](C)cc2)cc1","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","[Cl-]","[Cl-]",null,null,256.053403808,"?"]
[3019,null,"1912-24-9",{"$nulls":7},""]
[3020,"CCN(CC)C1=NC(NC(C)C)=NC(Cl)=N1","1912-25-0","CCN(CC)c1nc(Cl)nc(NC(C)C)n1","CCN(CC)c1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},243.12507325599998,"?"]
[3021,"CCNC1=NC(Cl)=NC(=N1)N(CC)CC","1912-26-1","CCNc1nc(Cl)nc(N(CC)CC)n1","CCNc1nc(nc(n1)Cl)N(CC)CC",{"$nulls":4},229.10942319199998,"?"]
[3022,"CC1=CC=C(O1)C(O)=O","1917-15-3","Cc1ccc(C(=O)O)o1","Cc1oc(cc1)C(=O)O",{"$nulls":4},126.031694052,"?"]
[3023,"COCC1=CC=C(O1)C=O","1917-64-2","COCc1ccc(C=O)o1","COCc1oc(cc1)C=O",{"$nulls":4},140.047344116,"?"]
[3024,"COC1=C(Cl)C=CC(Cl)=C1C(O)=O","1918-00-9","COc1c(Cl)ccc(Cl)c1C(=O)O","COc1c(c(ccc1Cl)Cl)C(=O)O",{"$nulls":4},219.969399412,"?"]
[3025,"NC1=C(Cl)C(Cl)=NC(C(O)=O)=C1Cl","1918-02-1","Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl","Nc1c(c(nc(c1Cl)Cl)C(=O)O)Cl",{"$nulls":4},239.926010376,"?"]
[3026,"CCCN(CCC)C1=C(C=C(C)C=C1[N+]([O-])=O)[N+]([O-])=O","1918-08-7","CCCN(CCC)c1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C)[N+](=O)[O-]",{"$nulls":4},281.1375560880005,"?"]
[3027,"CNC(=O)OC1=C(C=C(C)C=C1C(C)(C)C)C(C)(C)C","1918-11-2","CNC(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C","CNC(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C",{"$nulls":4},277.2041791040006,"?"]
[3028,"NC(=S)C1=C(Cl)C=CC=C1Cl","1918-13-4","NC(=S)c1c(Cl)cccc1Cl","NC(=S)c1c(cccc1Cl)Cl",{"$nulls":4},204.95197552,"?"]
[3029,"CC(C)N(C(=O)CCl)C1=CC=CC=C1","1918-16-7","CC(C)N(C(=O)CCl)c1ccccc1","CC(C)N(C(=O)CCl)c1ccccc1",{"$nulls":4},211.076391748,"?"]
[3030,"N[CH](CCO)C(O)=O","1927-25-9","NC(CCO)C(=O)O","NC(CCO)C(=O)O",{"$nulls":4},119.058243148,"?"]
[3031,"OC1=CC2=C(NC3=CC=CC=C3S2)C=C1","1927-44-2","Oc1ccc2c(c1)Sc1ccccc1N2","Oc1cc2c(cc1)Nc3c(S2)cccc3",{"$nulls":4},215.040484908,"?"]
[3032,"COC(=O)COC1=C(Cl)C=C(Cl)C=C1","1928-38-7","COC(=O)COc1ccc(Cl)cc1Cl","COC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},233.985049476,"?"]
[3033,"CCOC(=O)COC1=CC(Cl)=C(Cl)C=C1Cl","1928-39-8","CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl","CCOC(=O)COc1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},281.9617271880003,"?"]
[3034,"CCCCCCCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1","1928-44-5","CCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl","CCCCCCCCOC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},332.0945999240006,"?"]
[3035,"CCCOC(=O)COC1=CC=C(Cl)C=C1Cl","1928-61-6","CCCOC(=O)COc1ccc(Cl)cc1Cl","CCCOC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},262.01634960400014,"?"]
[3036,null,"1929-29-9",{"$nulls":7},""]
[3037,"CCCCOCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1","1929-73-3","CCCCOCCOC(=O)COc1ccc(Cl)cc1Cl","CCCCOCCOC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},320.0582144160005,"?"]
[3038,"CCCSC(=O)N(CCC)CCC","1929-77-7","CCCSC(=O)N(CCC)CCC","CCCSC(=O)N(CCC)CCC",{"$nulls":4},203.134385292,"?"]
[3039,"ClC1=CC=CC(=N1)C(Cl)(Cl)Cl","1929-82-4","Clc1cccc(C(Cl)(Cl)Cl)n1","Clc1nc(ccc1)C(Cl)(Cl)Cl",{"$nulls":4},228.901959816,"?"]
[3040,"CNC(=O)NC1=NC2=CC=CC=C2S1","1929-88-0","CNC(=O)Nc1nc2ccccc2s1","CNC(=O)Nc1sc2c(n1)cccc2",{"$nulls":4},207.046632908,"?"]
[3041,"C(CN1CCCCC1)N1CCCCC1","1932-04-3","C1CCN(CCN2CCCCC2)CC1","C1CCN(CC1)CCN2CCCCC2",{"$nulls":4},196.19394876799998,"?"]
[3042,"[O-][N+](=O)C(Cl)([N+]([O-])=O)[N+]([O-])=O","1943-16-4","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},184.9475624,"Errors in neutralization"]
[3043,"CC(=C)C1CCC(C)(O)C(O)C1","1946-00-5","C=C(C)C1CCC(C)(O)C(O)C1","C=C(C)C1CC(C(CC1)(C)O)O",{"$nulls":4},170.130679816,"?"]
[3044,"CCCSS(=O)CCC","1948-52-3","CCCSS(=O)CCC","CCCSS(=O)CCC",{"$nulls":4},166.048607068,"?"]
[3045,"COC1=C(C=CC=C1C(O)=O)C(O)=O","1951-38-8","COc1c(C(=O)O)cccc1C(=O)O","COc1c(cccc1C(=O)O)C(=O)O",{"$nulls":4},196.037173356,"?"]
[3046,"CCC(=O)OC1=CC=C(C=C1)[N+]([O-])=O","1956-06-5","CCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},195.053157768,"?"]
[3047,"CCCCC(=O)OC1=CC=C(C=C1)[N+]([O-])=O","1956-07-6","CCCCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},223.084457896,"?"]
[3048,"CCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCC","1962-75-0","CCCCOC(=O)c1ccc(C(=O)OCCCC)cc1","CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC",{"$nulls":4},278.1518091840006,"?"]
[3049,"CC(C)[CH](N=C(O)CN)C(O)=O","1963-21-9","CC(C)C(N=C(O)CN)C(=O)O","CC(C)C(N=C(O)CN)C(=O)O",{"$nulls":4},174.100442308,"?"]
[3050,"OCCN=C(O)CCCCC(O)=NCCO","1964-73-4","OCCN=C(O)CCCCC(O)=NCCO","OCCN=C(O)CCCCC(O)=NCCO",{"$nulls":4},232.14230712,"?"]
[3051,"CNC(=O)OCC1=CC(Cl)=C(Cl)C=C1","1966-58-1","CNC(=O)OCc1ccc(Cl)c(Cl)c1","CNC(=O)OCc1cc(c(cc1)Cl)Cl",{"$nulls":4},233.001033888,"?"]
[3052,"CC(OC(=O)NC1=CC(Cl)=CC=C1)C#C","1967-16-4","C#CC(C)OC(=O)Nc1cccc(Cl)c1","C#CC(C)OC(=O)Nc1cc(ccc1)Cl",{"$nulls":4},223.04000624,"?"]
[3053,"NC(=O)NC1=CC=C(Br)C=C1","1967-25-5","NC(=O)Nc1ccc(Br)cc1","NC(=O)Nc1ccc(cc1)Br",{"$nulls":4},213.974174944,"?"]
[3054,null,"1972-03-8",{"$nulls":7},""]
[3055,"CCC1=CC=CC=C1Br","1973-22-4","CCc1ccccc1Br","CCc1c(cccc1)Br",{"$nulls":4},183.988762388,"?"]
[3056,"CN(C)C(=O)NC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1","1982-47-4","CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1","CN(C)C(=O)Nc1ccc(cc1)Oc2ccc(cc2)Cl",{"$nulls":4},290.0822054000004,"?"]
[3057,"CC1CCCCC1NC(=O)NC1=CC=CC=C1","1982-49-6","CC1CCCCC1NC(=O)Nc1ccccc1","CC1C(CCCC1)NC(=O)Nc2ccccc2",{"$nulls":4},232.15756326,"?"]
[3058,"CCCC[Sn](F)(CCCC)CCCC","1983-10-4","CCCC[Sn](F)(CCCC)CCCC","CCCC[Sn](F)(CCCC)CCCC",{"$nulls":4},310.11187378400075,"?"]
[3059,"COC1=C(Cl)C(Cl)=CC=C1","1984-59-4","COc1cccc(Cl)c1Cl","COc1c(c(ccc1)Cl)Cl",{"$nulls":4},175.979570172,"?"]
[3060,"COC1=C(Cl)C=CC=C1Cl","1984-65-2","COc1c(Cl)cccc1Cl","COc1c(cccc1Cl)Cl",{"$nulls":4},175.979570172,"?"]
[3061,null,"2000-40-0",{"$nulls":7},""]
[3062,"OC(=N)C=CC1=CC=CC=C1N(=O)=O","2001-33-4","N=C(O)C=Cc1ccccc1[N+](=O)[O-]","N=C(O)C=Cc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},192.053492116,"?"]
[3063,"CC1=C2NC=NC2=NC=N1","2004-03-7","Cc1ncnc2nc[nH]c12","Cc1c2c(ncn1)nc[nH]2",{"$nulls":4},134.059246192,"?"]
[3064,"CCSC(=O)N(CC(C)C)CC(C)C","2008-41-5","CCSC(=O)N(CC(C)C)CC(C)C","CCSC(=O)N(CC(C)C)CC(C)C",{"$nulls":4},217.150035356,"?"]
[3065,"NC(=O)C1=C(Cl)C=CC=C1Cl","2008-58-4","NC(=O)c1c(Cl)cccc1Cl","NC(=O)c1c(cccc1Cl)Cl",{"$nulls":4},188.97481914,"?"]
[3066,"SC1=NCC(=O)N1C1=CC=CC=C1","2010-15-3","O=C1CN=C(S)N1c1ccccc1","O=C1N(C(=NC1)S)c2ccccc2",{"$nulls":4},192.035733876,"?"]
[3067,"CCCCCCCCCCN","2016-57-1","CCCCCCCCCCN","CCCCCCCCCCN",{"$nulls":4},157.183049736,"?"]
[3068,"CCOC(=O)CCC1=CC=CC=C1","2021-28-5","CCOC(=O)CCc1ccccc1","CCOC(=O)CCc1ccccc1",{"$nulls":4},178.099379688,"?"]
[3069,"NC1=NC(=O)NC=C1F","2022-85-7","Nc1nc(=O)[nH]cc1F","Nc1c(c[nH]c(n1)=O)F",{"$nulls":4},129.033839968,"?"]
[3070,"CNC(=O)OC1=CC(C)=C(C=C1)N(C)C","2032-59-9","CNC(=O)Oc1ccc(N(C)C)c(C)c1","CNC(=O)Oc1cc(c(cc1)N(C)C)C",{"$nulls":4},208.121177752,"?"]
[3071,"CNC(=O)OC1=CC(C)=C(SC)C(C)=C1","2032-65-7","CNC(=O)Oc1cc(C)c(SC)c(C)c1","CNC(=O)Oc1cc(c(c(c1)C)SC)C",{"$nulls":4},225.08234972,"?"]
[3072,"CCCC1CCCC1","2040-96-2","CCCC1CCCC1","CCCC1CCCC1",{"$nulls":4},112.12520051199999,"?"]
[3073,null,"2043-43-8",{"$nulls":7},""]
[3074,null,"2044-88-4",{"$nulls":7},""]
[3075,"CCC(C)(C)C1=CC=CC=C1","2049-95-8","CCC(C)(C)c1ccccc1","CCC(C)(C)c1ccccc1",{"$nulls":4},148.125200512,"?"]
[3076,"CCOC(=O)CCCCCC(=O)OCC","2050-20-6","CCOC(=O)CCCCCC(=O)OCC","CCOC(=O)CCCCCC(=O)OCC",{"$nulls":4},216.13615912,"?"]
[3077,"CCOC(=O)CCCCCCC(=O)OCC","2050-23-9","CCOC(=O)CCCCCCC(=O)OCC","CCOC(=O)CCCCCCC(=O)OCC",{"$nulls":4},230.151809184,"?"]
[3078,"ClC1=CC=CC(=C1)C1=CC(Cl)=CC=C1","2050-67-1","Clc1cccc(-c2cccc(Cl)c2)c1","Clc1cc(ccc1)-c2cc(ccc2)Cl",{"$nulls":4},222.000305616,"?"]
[3079,"ClC1=CC=C(C=C1)C1=CC=C(Cl)C=C1","2050-68-2","Clc1ccc(-c2ccc(Cl)cc2)cc1","Clc1ccc(cc1)-c2ccc(cc2)Cl",{"$nulls":4},222.000305616,"?"]
[3080,"ClC1=CC=C2C=CC=CC2=C1Cl","2050-69-3","Clc1ccc2ccccc2c1Cl","Clc1c(c2c(cc1)cccc2)Cl",{"$nulls":4},195.984655552,"?"]
[3081,"ClC1=CC=CC2=CC=CC(Cl)=C12","2050-74-0","Clc1cccc2cccc(Cl)c12","Clc1c2c(ccc1)cccc2Cl",{"$nulls":4},195.984655552,"?"]
[3082,"ClC1=C(Cl)C=C2C=CC=CC2=C1","2050-75-1","Clc1cc2ccccc2cc1Cl","Clc1c(cc2c(c1)cccc2)Cl",{"$nulls":4},195.984655552,"?"]
[3083,"ClC1=C(Cl)C(Cl)=C(C(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","2051-24-3","Clc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},493.6885268,"?"]
[3084,"ClC1=C(C=CC=C1)C1=CC=CC=C1","2051-60-7","Clc1ccccc1-c1ccccc1","Clc1c(cccc1)-c2ccccc2",{"$nulls":4},188.039277968,"?"]
[3085,"ClC1=CC=CC(=C1)C1=CC=CC=C1","2051-61-8","Clc1cccc(-c2ccccc2)c1","Clc1cc(ccc1)-c2ccccc2",{"$nulls":4},188.039277968,"?"]
[3086,"ClC1=CC=C(C=C1)C1=CC=CC=C1","2051-62-9","Clc1ccc(-c2ccccc2)cc1","Clc1ccc(cc1)-c2ccccc2",{"$nulls":4},188.039277968,"?"]
[3087,"OC1=CC(O)=C(C=C1)N=NC1=CC=CC=C1","2051-85-6","Oc1ccc(N=Nc2ccccc2)c(O)c1","Oc1cc(c(cc1)N=Nc2ccccc2)O",{"$nulls":4},214.07422756,"?"]
[3088,"ClC1=CC2=CC=C(Cl)C=C2C=C1","2065-70-5","Clc1ccc2cc(Cl)ccc2c1","Clc1cc2c(cc1)cc(Cl)cc2",{"$nulls":4},195.984655552,"?"]
[3089,null,"2076-53-1",{"$nulls":7},""]
[3090,null,"2076-57-5",{"$nulls":7},""]
[3091,"CC(C)CC(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1","2081-32-5","CC(C)CC(c1ccc(O)cc1)c1ccc(O)cc1","CC(C)CC(c1ccc(cc1)O)c2ccc(cc2)O",{"$nulls":4},256.14632988,"?"]
[3092,"OC(=O)CC1=CC(=CC=C1)C(O)=O","2084-13-1","O=C(O)Cc1cccc(C(=O)O)c1","O=C(O)Cc1cc(ccc1)C(=O)O",{"$nulls":4},180.042258736,"?"]
[3093,"CCCCC(CC)(C(O)=O)C(O)=O","2085-15-6","CCCCC(CC)(C(=O)O)C(=O)O","CCCCC(CC)(C(=O)O)C(=O)O",{"$nulls":4},188.104858992,"?"]
[3094,null,"2103-16-4",{"$nulls":7},""]
[3095,null,"2103-31-3",{"$nulls":7},""]
[3096,"CCOP(=S)(OC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1","2104-64-5","CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1","CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2",{"$nulls":4},323.0381155580004,"?"]
[3097,"COP(=S)(OC)OC1=C(Cl)C=C(Br)C(Cl)=C1","2104-96-3","COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Br)Cl",{"$nulls":4},363.8492192060002,"?"]
[3098,null,"2107-75-7",{"$nulls":7},""]
[3099,"CC(CC(C)C(O)=O)C(O)=O","2121-67-7","CC(CC(C)C(=O)O)C(=O)O","CC(CC(C)C(=O)O)C(=O)O",{"$nulls":4},160.073558864,"?"]
[3100,"NS(=O)(=O)C1=CC2=C(CN(C3CCCCC3)C2=O)C=C1Cl","2127-01-7","NS(=O)(=O)c1cc2c(cc1Cl)CN(C1CCCCC1)C2=O","NS(=O)(=O)c1c(cc2c(c1)C(N(C2)C3CCCCC3)=O)Cl",{"$nulls":4},328.0648410840005,"?"]
[3101,"CC1=CC=C(C)C2=C(C)C=CC=C12","2131-41-1","Cc1ccc(C)c2c(C)cccc12","Cc1c2c(c(cc1)C)c(C)ccc2",{"$nulls":4},170.109550448,"?"]
[3102,"BrC1=CC=CC(=C1)N=C=S","2131-59-1","S=C=Nc1cccc(Br)c1","S=C=Nc1cc(ccc1)Br",{"$nulls":4},212.924782228,"?"]
[3103,"C[CH]1C[CH]2[CH]3C[CH](F)C4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]2(C)[C]1(O)C(=O)CO","2135-17-3","CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",{"$nulls":4},410.1904804360007,"?"]
[3104,"ClC1=CC(Cl)=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","2136-99-4","Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[3105,"OC1=CC(O)=C(C=C1)C1CCCCC1","2138-20-7","Oc1ccc(C2CCCCC2)c(O)c1","Oc1cc(c(cc1)C2CCCCC2)O",{"$nulls":4},192.115029752,"?"]
[3106,"CCCCC(=O)O[C]1([CH](C)C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]12C)C(=O)CO","2152-44-5","CCCCC(=O)OC1(C(=O)CO)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CCCCC(=O)OC1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)C(=O)CO",{"$nulls":4},476.25741712400094,"?"]
[3107,"OCC1C(CO)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl","2157-19-9","OCC1C(CO)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl","OCC1C2(C(=C(C(C1CO)(C2(Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8655455760002,"?"]
[3108,"OC(=O)C1=CC(=CC(Cl)=C1)C(O)=O","2157-39-3","O=C(O)c1cc(Cl)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)Cl)C(=O)O",{"$nulls":4},199.98763632,"?"]
[3109,"OC(=O)C1=CC=CC=C1C(=O)C1=CC=C(Br)C=C1","2159-40-2","O=C(O)c1ccccc1C(=O)c1ccc(Br)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Br",{"$nulls":4},303.97350624800026,"?"]
[3110,"CCNC1=NC(O)=NC(NC(C)C)=N1","2163-68-0","CCNc1nc(O)nc(NC(C)C)n1","CCNc1nc(nc(n1)O)NC(C)C",{"$nulls":4},197.12766009999999,"?"]
[3111,"CN(C)C(=O)NC1CCCCCCC1","2163-69-1","CN(C)C(=O)NC1CCCCCCC1","CN(C)C(=O)NC1CCCCCCC1",{"$nulls":4},198.173213324,"?"]
[3112,"[Na+].C[As](O)([O-])=O","2163-80-6","C[As](=O)([O-])O","C[As](=O)(O)O","[Na+]",{"$nulls":3},161.927409768,"Structure has been neutralized"]
[3113,"O=C1NC2=C(CCC2)C(=O)N1C1CCCCC1","2164-08-1","O=c1[nH]c2c(c(=O)n1C1CCCCC1)CCC2","O=c1n(c(c2c([nH]1)CCC2)=O)C3CCCCC3",{"$nulls":4},234.136827816,"?"]
[3114,"CC(=C)C(=O)NC1=CC=C(Cl)C(Cl)=C1","2164-09-2","C=C(C)C(=O)Nc1ccc(Cl)c(Cl)c1","C=C(C)C(=O)Nc1cc(c(cc1)Cl)Cl",{"$nulls":4},229.006119268,"?"]
[3115,"CCC(C)OC(=O)NC1=CC=CC(Cl)=C1","2164-13-8","CCC(C)OC(=O)Nc1cccc(Cl)c1","CCC(C)OC(=O)Nc1cc(ccc1)Cl","BCPC",{"$nulls":3},301.116973654,"?"]
[3116,"CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F","2164-17-2","CN(C)C(=O)Nc1cccc(C(F)(F)F)c1","CN(C)C(=O)Nc1cc(ccc1)C(F)(F)F",{"$nulls":4},232.082347632,"?"]
[3117,null,"2168-88-9",{"$nulls":7},""]
[3118,"CC(C)COC1=CC2=CC=CC=C2C=C1","2173-57-1","CC(C)COc1ccc2ccccc2c1","CC(C)COc1cc2c(cc1)cccc2",{"$nulls":4},200.120115132,"?"]
[3119,"CCCCN1CCCCC1C(=O)NC1=C(C)C=CC=C1C","2180-92-9","CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C","CCCCN1C(CCCC1)C(=O)Nc2c(cccc2C)C",{"$nulls":4},288.22016351600075,"?"]
[3120,null,"2181-22-8",{"$nulls":7},""]
[3121,"CCCCCCCCC1=CC=CC=C1","2189-60-8","CCCCCCCCc1ccccc1","CCCCCCCCc1ccccc1",{"$nulls":4},190.172150704,"?"]
[3122,"ClC1=CC2=CC(Cl)=CC=C2C=C1","2198-77-8","Clc1ccc2ccc(Cl)cc2c1","Clc1cc2c(cc1)ccc(Cl)c2",{"$nulls":4},195.984655552,"?"]
[3123,"CCOC(=O)C1=C(C)C=C(C)N1","2199-44-2","CCOC(=O)c1[nH]c(C)cc1C","CCOC(=O)c1c(cc([nH]1)C)C",{"$nulls":4},167.094628656,"?"]
[3124,"COC1=C(C=C(C=C1)C(O)=O)C(O)=O","2206-43-1","COc1ccc(C(=O)O)cc1C(=O)O","COc1c(cc(cc1)C(=O)O)C(=O)O",{"$nulls":4},196.037173356,"?"]
[3125,"C[CH]1CCCC[CH]1C","2207-01-4","CC1CCCCC1C","CC1C(CCCC1)C",{"$nulls":4},112.12520051199999,"?"]
[3126,null,"2207-04-7",{"$nulls":7},""]
[3127,null,"2211-67-8",{"$nulls":7},""]
[3128,"CCSC(=O)N1CCCCCC1","2212-67-1","CCSC(=O)N1CCCCCC1","CCSC(=O)N1CCCCCC1",{"$nulls":4},187.103085164,"?"]
[3129,"OC(=O)C1=CC=CC2=C1C(=CC=C2)[N+]([O-])=O","2216-13-9","O=C(O)c1cccc2cccc([N+](=O)[O-])c12","O=C(O)c1c2c(ccc1)cccc2[N+](=O)[O-]",{"$nulls":4},217.037507704,"?"]
[3130,"CCCCC(C)CCC","2216-34-4","CCCCC(C)CCC","CCCCC(C)CCC",{"$nulls":4},128.15650064,"?"]
[3131,"CC(C)[CH]1CC[CH](C)C[CH]1O","2216-51-5","CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O",{"$nulls":4},156.15141526,"?"]
[3132,"COC1=C2C=CC=CC2=CC=C1","2216-69-5","COc1cccc2ccccc12","COc1c2c(ccc1)cccc2",{"$nulls":4},158.07316494,"?"]
[3133,"CC1(C)[CH]2CC[C](C)(C2)[CH]1O","2217-02-9","CC12CCC(C1)C(C)(C)C2O","CC12CC(CC1)C(C)(C)C2O",{"$nulls":4},154.135765196,"?"]
[3134,"CCCC1(CCC)C(=O)NC(=O)NC1=O","2217-08-5","CCCC1(CCC)C(=O)NC(=O)NC1=O","CCCC1(C(NC(NC1=O)=O)=O)CCC",{"$nulls":4},212.116092372,"?"]
[3135,null,"2217-32-5",{"$nulls":7},""]
[3136,"CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC","2217-59-6","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC",{"$nulls":4},256.08030112,"?"]
[3137,"ClC1=CC=C(SC2=CC(Cl)=C(Cl)C=C2Cl)C=C1","2227-13-6","Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1","Clc1ccc(cc1)Sc2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},321.89443191200013,"?"]
[3138,"ClC1=C(Cl)C(Cl)(C(Cl)=C1Cl)C1(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","2227-17-0","ClC1=C(Cl)C(Cl)(C2(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl)C(Cl)=C1Cl","ClC=1C(=C(C(C1Cl)(Cl)C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},469.6885268,"?"]
[3139,"ON=C1CCCC=C1","2229-00-7","ON=C1C=CCCC1","ON=C1CCCC=C1",{"$nulls":4},111.068413908,"?"]
[3140,"ClC1=C(Cl)C2=C(Cl)C(Cl)=C(Cl)C(Cl)=C2C(Cl)=C1Cl","2234-13-1","Clc1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl","Clc1c(c2c(c(c1Cl)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl",{"$nulls":4},399.75082144,"?"]
[3141,"CCC(N)CC1=CNC2=CC=CC=C12","2235-90-7","CCC(N)Cc1c[nH]c2ccccc12","CCC(N)Cc1c2c([nH]c1)cccc2",{"$nulls":4},188.131348512,"?"]
[3142,"NC1=CC=CC(=C1)C#N","2237-30-1","N#Cc1cccc(N)c1","N#Cc1cc(ccc1)N",{"$nulls":4},118.053098192,"?"]
[3143,"CCCCCCCCC#N","2243-27-8","CCCCCCCCC#N","CCCCCCCCC#N",{"$nulls":4},139.136099544,"?"]
[3144,"NC1=CC=CC2=C(N)C=CC=C12","2243-62-1","Nc1cccc2c(N)cccc12","Nc1c2c(ccc1)c(N)ccc2",{"$nulls":4},158.08439832,"?"]
[3145,"[O-][N+](=O)C1=CC=CC2=C(C=CC(=C12)[N+]([O-])=O)[N+]([O-])=O","2243-95-0","O=[N+]([O-])c1ccc([N+](=O)[O-])c2c([N+](=O)[O-])cccc12","O=[N+]([O-])c1c2c(c(cc1)[N+](=O)[O-])c([N+](=O)[O-])ccc2",{"$nulls":4},263.0178348800001,"?"]
[3146,"CC(=C)[CH]1CC=C(C)C(=O)C1","2244-16-8","C=C(C)C1CC=C(C)C(=O)C1","C=C(C)C1CC(C(=CC1)C)=O",{"$nulls":4},150.104465068,"?"]
[3147,"S=C=NCCC1=CC=CC=C1","2257-09-2","S=C=NCCc1ccccc1","S=C=NCCc1ccccc1",{"$nulls":4},163.045570288,"?"]
[3148,"OC(=O)C(Cl)=C(Cl)Cl","2257-35-4","O=C(O)C(Cl)=C(Cl)Cl","O=C(O)C(Cl)=C(Cl)Cl",{"$nulls":4},173.904212312,"?"]
[3149,"FC(F)(F)C1=NC2=NC=NC=C2N1","2268-12-4","FC(F)(F)c1nc2ncncc2[nH]1","FC(F)(F)c1[nH]c2c(n1)ncnc2",{"$nulls":4},188.030980756,"?"]
[3150,"OC(=O)CCCCC1=CC=CC=C1","2270-20-4","O=C(O)CCCCc1ccccc1","O=C(O)CCCCc1ccccc1",{"$nulls":4},178.099379688,"?"]
[3151,"CN1C=NC2=C1C(Cl)=NC(Cl)=N2","2273-93-0","Cn1cnc2nc(Cl)nc(Cl)c21","Cn1c2c(nc1)nc(Cl)nc2Cl",{"$nulls":4},201.98130148799999,"?"]
[3152,"COP(=O)(OC)OC(=CCl)C1=C(Cl)C=C(Cl)C=C1","2274-67-1","COP(=O)(OC)OC(=CCl)c1ccc(Cl)cc1Cl","COP(=O)(OC)OC(=CCl)c1c(cc(cc1)Cl)Cl",{"$nulls":4},329.9382284700003,"?"]
[3153,"CCOP(=S)(OCC)SCC(=O)NC(C)C","2275-18-5","CCOP(=S)(OCC)SCC(=O)NC(C)C","CCOP(=S)(OCC)SCC(=O)NC(C)C",{"$nulls":4},285.0622221300006,"?"]
[3154,"CNC(=O)C(C)SCCSP(=O)(OC)OC","2275-23-2","CNC(=O)C(C)SCCSP(=O)(OC)OC","CNC(=O)C(C)SCCSP(=O)(OC)OC",{"$nulls":4},287.0414866860005,"?"]
[3155,null,"2276-96-2",{"$nulls":7},""]
[3156,"CC[Hg]C#N","2279-63-2","CC[Hg]C#N","CC[Hg]C#N",{"$nulls":4},257.01284216000005,"?"]
[3157,"OC(=O)C1=C2C=CC=CC2=CC=C1O","2283-08-1","O=C(O)c1c(O)ccc2ccccc12","O=C(O)c1c2c(ccc1O)cccc2",{"$nulls":4},188.047344116,"?"]
[3158,"OC(=O)C1=CC2=CC=CC=C2C(=O)O1","2289-03-4","O=C(O)c1cc2ccccc2c(=O)o1","O=C(O)c1oc(c2c(c1)cccc2)=O",{"$nulls":4},190.026608672,"?"]
[3159,"CC(C)N(C(C)C)C(=O)SCC(Cl)=CCl","2303-16-4","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C",{"$nulls":4},269.04079052400033,"?"]
[3160,"CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl","2303-17-5","CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C","CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C",{"$nulls":4},303.0018181720004,"?"]
[3161,"CC1=CC(OC2=CC=C(C=C2)[N+]([O-])=O)=CC=C1","2303-25-5","Cc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1","Cc1cc(ccc1)Oc2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},229.073893212,"?"]
[3162,"OC(=O)[CH]1CCCC[CH]1C(O)=O","2305-32-0","O=C(O)C1CCCCC1C(=O)O","O=C(O)C1C(CCCC1)C(=O)O",{"$nulls":4},172.073558864,"?"]
[3163,"CCCC(C)C(=O)NC1=CC=C(C)C(Cl)=C1","2307-68-8","CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1","CCCC(C)C(=O)Nc1cc(c(cc1)C)Cl",{"$nulls":4},239.107691876,"?"]
[3164,"O=C1NC2=C(NC=N2)C=N1","2308-57-8","O=c1ncc2[nH]cnc2[nH]1","O=c1[nH]c2c(cn1)[nH]cn2",{"$nulls":4},136.038510748,"?"]
[3165,"CN1C(=O)N(C)C2=C1N(C)C(=O)N(C)C2=O","2309-49-1","Cn1c(=O)c2c(n(C)c1=O)n(C)c(=O)n2C","Cn1c(n(c2c(c1=O)n(c(n2C)=O)C)C)=O",{"$nulls":4},224.090940244,"?"]
[3166,"CCOP(=S)(OCC)SCN1C(=O)OC2=CC(Cl)=CC=C12","2310-17-0","CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2",{"$nulls":4},366.9868642700004,"?"]
[3167,"CC(C)(C)C1=CC=C(OC2CCCCC2OS(=O)OCC#C)C=C1","2312-35-8","C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1","C#CCOS(=O)OC1C(CCCC1)Oc2ccc(cc2)C(C)(C)C",{"$nulls":4},350.1551803120007,"?"]
[3168,"CCCCOC(=O)C1(O)C2=C(C=CC=C2)C2=C1C=CC=C2","2314-09-2","CCCCOC(=O)C1(O)c2ccccc2-c2ccccc21","CCCCOC(=O)C1(c2c(-c3c1cccc3)cccc2)O",{"$nulls":4},282.1255944360005,"?"]
[3169,"CCN(CC)C(=O)CCl","2315-36-8","CCN(CC)C(=O)CCl","CCN(CC)C(=O)CCl",{"$nulls":4},149.060741684,"?"]
[3170,"CCCOC(=O)C1=CC=CC=C1","2315-68-6","CCCOC(=O)c1ccccc1","CCCOC(=O)c1ccccc1",{"$nulls":4},164.083729624,"?"]
[3171,"OCC1=C(O)C=CC(Br)=C1","2316-64-5","OCc1cc(Br)ccc1O","OCc1c(ccc(c1)Br)O",{"$nulls":4},201.962941564,"?"]
[3172,"CC(C)C(CC(O)=O)C(O)=O","2338-45-6","CC(C)C(CC(=O)O)C(=O)O","CC(C)C(CC(=O)O)C(=O)O",{"$nulls":4},160.073558864,"?"]
[3173,"Cl.CCCCOC1=CC=C(C=C1)C(=O)OCCN(CC)CC","2350-32-5","CCCCOc1ccc(C(=O)OCCN(CC)CC)cc1","CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC","Cl",{"$nulls":3},329.1757714360008,"?"]
[3174,"NNC(=O)C1=CC=CS1","2361-27-5","NNC(=O)c1cccs1","NNC(=O)c1sccc1",{"$nulls":4},142.020083812,"?"]
[3175,"CCOC(=O)[CH](CC1=CC=CC=C1)N=C(C)O","2361-96-8","CCOC(=O)C(Cc1ccccc1)N=C(C)O","CCOC(=O)C(Cc1ccccc1)N=C(C)O",{"$nulls":4},235.120843404,"?"]
[3176,"C[C]12CC[CH]3[CH](CC[CH]4C[CH]5S[CH]5C[C]34C)[CH]1CC[CH]2O","2363-58-8","CC12CCC3C(CCC4CC5SC5CC43C)C1CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC5C(S5)C4)C)CCC2O",{"$nulls":4},306.20173658000084,"?"]
[3177,"FC1=CC(F)=C(F)C(F)=C1","2367-82-0","Fc1cc(F)c(F)c(F)c1","Fc1cc(c(c(c1)F)F)F",{"$nulls":4},150.009262944,"?"]
[3178,"CCCC(C)(C)CO","2370-12-9","CCCC(C)(C)CO","CCCC(C)(C)CO",{"$nulls":4},116.120115132,"?"]
[3179,"CC1=CC(=O)OC2=C1C=C(O)C=C2","2373-31-1","Cc1cc(=O)oc2ccc(O)cc12","Cc1c2c(oc(c1)=O)ccc(O)c2",{"$nulls":4},176.047344116,"?"]
[3180,null,"2373-80-0",{"$nulls":7},""]
[3181,"CCC1(CC=C)C(=O)NC(=O)NC1=O","2373-84-4","C=CCC1(CC)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CC",{"$nulls":4},196.084792244,"?"]
[3182,"CC1=CC=C2C=C3C=CC4=CC=CC=C4C3=CC2=C1","2381-15-9","Cc1ccc2cc3ccc4ccccc4c3cc2c1","Cc1cc2c(cc1)cc3c(c4c(cc3)cccc4)c2",{"$nulls":4},242.109550448,"?"]
[3183,"CC1=CC2=C(C=C1)C=C1C(C=CC3=CC=CC=C13)=C2","2381-16-0","Cc1ccc2cc3c(ccc4ccccc43)cc2c1","Cc1cc2c(cc1)cc3c4c(ccc3c2)cccc4",{"$nulls":4},242.109550448,"?"]
[3184,"CC1=C2C=CC3=C4C(C=CC(C5=CC=CC=C15)=C24)=CC=C3","2381-39-7","Cc1c2ccccc2c2ccc3cccc4ccc1c2c43","Cc1c2ccc3cccc4ccc(c5c1cccc5)c2c43",{"$nulls":4},266.1095504480003,"?"]
[3185,null,"2382-80-1",{"$nulls":7},""]
[3186,"SC1=NC2=CC=CC=C2O1","2382-96-9","Sc1nc2ccccc2o1","Sc1oc2c(n1)cccc2",{"$nulls":4},151.00918478,"?"]
[3187,null,"2385-74-2",{"$nulls":7},""]
[3188,"ClC12C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl","2385-85-5","ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","ClC1(C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},539.62623216,"?"]
[3189,null,"2392-68-9",{"$nulls":7},""]
[3190,"C#CCCCC#C","2396-63-6","C#CCCCC#C","C#CCCCC#C",{"$nulls":4},92.062600256,"?"]
[3191,"C#CCCCCCC#C","2396-65-8","C#CCCCCCC#C","C#CCCCCCC#C",{"$nulls":4},120.093900384,"?"]
[3192,"OC(=O)C1=C[N+]([O-])=CC=C1","2398-81-4","O=C(O)c1ccc[n+]([O-])c1","O=C(O)c1c[n+](ccc1)[O-]",{"$nulls":4},139.02694302,"?"]
[3193,"CCCCOP(=O)(CC)OCCCC","2404-58-2","CCCCOP(=O)(CC)OCCCC","CCCCOP(=O)(CC)OCCCC",{"$nulls":4},222.138481226,"?"]
[3194,"CCCCOP(C)(=O)OCCCC","2404-73-1","CCCCOP(C)(=O)OCCCC","CCCCOP(C)(=O)OCCCC",{"$nulls":4},208.12283116199998,"?"]
[3195,"CC1=CC=C(C)C(O)=C1C","2416-94-6","Cc1ccc(C)c(O)c1C","Cc1c(c(c(cc1)C)O)C",{"$nulls":4},136.088815004,"?"]
[3196,"OC1=CC=CC=C1OC1=CC=CC=C1","2417-10-9","Oc1ccccc1Oc1ccccc1","Oc1c(cccc1)Oc2ccccc2",{"$nulls":4},186.06807956,"?"]
[3197,null,"2421-02-5",{"$nulls":7},""]
[3198,"CC1=C2C(C=CC3=CC=CC=C23)=CC2=CC=CC=C12","2422-79-9","Cc1c2ccccc2cc2ccc3ccccc3c12","Cc1c2c(cc3c1cccc3)ccc4c2cccc4",{"$nulls":4},242.109550448,"?"]
[3199,"ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O","2425-06-1","O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)C(Cl)Cl",{"$nulls":4},346.91081024800025,"?"]
[3200,"CNC(=O)OC1=CC(C)=C(C)C=C1","2425-10-7","CNC(=O)Oc1ccc(C)c(C)c1","CNC(=O)Oc1cc(c(cc1)C)C",{"$nulls":4},179.094628656,"?"]
[3201,"CCCCOCC1CO1","2426-08-6","CCCCOCC1CO1","CCCCOCC1OC1",{"$nulls":4},130.099379688,"?"]
[3202,"CC(C)CCCCCCO","2430-22-0","CC(C)CCCCCCO","CC(C)CCCCCCO",{"$nulls":4},144.15141526,"?"]
[3203,"CC1=CC(Cl)=C(O)C(Cl)=C1","2432-12-4","Cc1cc(Cl)c(O)c(Cl)c1","Cc1cc(c(c(c1)Cl)O)Cl",{"$nulls":4},175.979570172,"?"]
[3204,"CC1=NC2=NC=CN=C2C=N1","2432-20-4","Cc1ncc2nccnc2n1","Cc1nc2c(cn1)nccn2",{"$nulls":4},146.059246192,"?"]
[3205,"CC1=NC=NC2=NC=CN=C12","2432-21-5","Cc1ncnc2nccnc12","Cc1c2c(ncn1)nccn2",{"$nulls":4},146.059246192,"?"]
[3206,"NCCCCCCCCCCC(O)=O","2432-99-7","NCCCCCCCCCCC(=O)O","NCCCCCCCCCCC(=O)O",{"$nulls":4},201.172878976,"?"]
[3207,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C=C(Cl)C=C1","2437-79-8","Clc1ccc(-c2ccc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[3208,"CC1=CC2=NC3=C(SC(=O)S3)N=C2C=C1","2439-01-2","Cc1ccc2nc3sc(=O)sc3nc2c1","Cc1cc2c(cc1)nc3c(sc(s3)=O)n2",{"$nulls":4},233.992154812,"?"]
[3209,"CC(O)=O.CCCCCCCCCCCCNC(N)=N","2439-10-3","CCCCCCCCCCCCNC(=N)N","CCCCCCCCCCCCNC(=N)N","CC(O)=O",{"$nulls":3},287.257277296,"?"]
[3210,"COC1=CC=CC=C1C(N)=O","2439-77-2","COc1ccccc1C(N)=O","COc1c(cccc1)C(N)=O",{"$nulls":4},151.063328528,"?"]
[3211,"OC(=O)CN(CP(O)(O)=O)CP(O)(O)=O","2439-99-8","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O",{"$nulls":4},262.99598957200016,"?"]
[3212,"NC1=CC=C(CC(=O)C2=CC=CC=C2)C=C1","2440-20-2","Nc1ccc(CC(=O)c2ccccc2)cc1","Nc1ccc(cc1)CC(=O)c2ccccc2",{"$nulls":4},211.099714036,"?"]
[3213,"ClC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1","2444-89-5","Clc1ccc(Oc2ccc(Cl)cc2)cc1","Clc1ccc(cc1)Oc2ccc(cc2)Cl",{"$nulls":4},237.995220236,"?"]
[3214,null,"2451-01-6",{"$nulls":7},""]
[3215,"COP(=S)(OC)OC1=CC=C(C=C1Cl)[N+]([O-])=O","2463-84-5","COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1Cl","COP(=S)(OC)Oc1c(cc(cc1)[N+](=O)[O-])Cl",{"$nulls":4},296.9627576980002,"?"]
[3216,"OC(=O)C1(O)C2=C(C=CC=C2)C2=C1C=C(Cl)C=C2","2464-37-1","O=C(O)C1(O)c2ccccc2-c2ccc(Cl)cc21","O=C(O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O",{"$nulls":4},260.02402182800006,"?"]
[3217,"NC1=CC=C(N)C2=C1C(=O)C1=C(N)C=CC(N)=C1C2=O","2475-45-8","Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C2=O","Nc1c2c(c(cc1)N)C(c3c(C2=O)c(N)ccc3N)=O",{"$nulls":4},268.09602562400033,"?"]
[3218,"OS(=O)(=O)C1=CC=C(C=C1)N=NC1=CC=CC=C1","2484-88-0","O=S(=O)(O)c1ccc(N=Nc2ccccc2)cc1","O=S(=O)(O)c1ccc(cc1)N=Nc2ccccc2",{"$nulls":4},262.04121318000017,"?"]
[3219,"CC(=O)OC1=C(C(C)=C(C=C1C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O","2487-01-6","CC(=O)Oc1c(C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]","CC(=O)Oc1c(c(c(cc1C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]",{"$nulls":4},296.1008362320004,"?"]
[3220,"OC(=O)CNC=O","2491-15-8","O=CNCC(=O)O","O=CNCC(=O)O",{"$nulls":4},103.02694302,"?"]
[3221,"OC1=CC=C(C=C1)C(=O)CC1=CC=CC=C1","2491-32-9","O=C(Cc1ccccc1)c1ccc(O)cc1","O=C(Cc1ccccc1)c2ccc(cc2)O",{"$nulls":4},212.083729624,"?"]
[3222,"CCOP(=S)(OCC)SCCS(=O)(=O)CC","2497-06-5","CCOP(=S)(OCC)SCCS(=O)(=O)CC","CCOP(=S)(OCC)SCCS(=O)(=O)CC",{"$nulls":4},306.0183087180005,"?"]
[3223,"CCOP(=S)(OCC)SCCS(=O)CC","2497-07-6","CCOP(=S)(OCC)SCCS(=O)CC","CCOP(=S)(OCC)SCCS(=O)CC",{"$nulls":4},290.0233940980005,"?"]
[3224,"CC1=C2C=C(F)C3=CC=CC=C3C2=CC2=CC=CC=C12","2498-63-7","Cc1c2ccccc2cc2c1cc(F)c1ccccc12","Cc1c2c(cc3c1cccc3)c4c(c(c2)F)cccc4",{"$nulls":4},260.10012863600014,"?"]
[3225,"CC1=C2C(C=CC3=CC4=CC=CC=C4C=C23)=CC=C1","2498-77-3","Cc1cccc2ccc3cc4ccccc4cc3c12","Cc1c2c(ccc1)ccc3c2cc4c(c3)cccc4",{"$nulls":4},242.109550448,"?"]
[3226,"OC(=O)C1=C(C=CC(Cl)=C1)[N+]([O-])=O","2516-95-2","O=C(O)c1cc(Cl)ccc1[N+](=O)[O-]","O=C(O)c1c(ccc(c1)Cl)[N+](=O)[O-]",{"$nulls":4},200.982885288,"?"]
[3227,"OC(=O)C1=CC(=CC=C1Cl)[N+]([O-])=O","2516-96-3","O=C(O)c1cc([N+](=O)[O-])ccc1Cl","O=C(O)c1c(ccc(c1)[N+](=O)[O-])Cl",{"$nulls":4},200.982885288,"?"]
[3228,"CC1=NO[N+]([O-])=C1C","2518-42-5","Cc1no[n+]([O-])c1C","Cc1c([n+](on1)[O-])C",{"$nulls":4},114.042927432,"?"]
[3229,"CCCCOP(=O)(OCCCC)OC1=CC=CC=C1","2528-36-1","CCCCOP(=O)(OCCCC)Oc1ccccc1","CCCCOP(=O)(OCCCC)Oc1ccccc1",{"$nulls":4},286.13339584600067,"?"]
[3230,"CC1=CC=C2C(C=CC3=CC=CC=C23)=C1","2531-84-2","Cc1ccc2c(ccc3ccccc32)c1","Cc1cc2c(cc1)c3c(cc2)cccc3",{"$nulls":4},192.093900384,"?"]
[3231,"COC(=O)C1(O)C2=C(C=CC=C2)C2=C1C=C(Cl)C=C2","2536-31-4","COC(=O)C1(O)c2ccccc2-c2ccc(Cl)cc21","COC(=O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O",{"$nulls":4},274.03967189200034,"?"]
[3232,"COC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1O","2539-17-5","COc1c(O)c(Cl)c(Cl)c(Cl)c1Cl","COc1c(c(c(c(c1O)Cl)Cl)Cl)Cl",{"$nulls":4},259.8965400880001,"?"]
[3233,"COP(=S)(OC)SCC(=O)N(C)C=O","2540-82-1","COP(=S)(OC)SCC(=O)N(C)C=O","COP(=S)(OC)SCC(=O)N(C)C=O",{"$nulls":4},256.99453649400004,"?"]
[3234,"CC1=C2C(F)=CC3=CC=CC=C3C2=CC2=CC=CC=C12","2541-68-6","Cc1c2ccccc2cc2c1c(F)cc1ccccc12","Cc1c2c(cc3c1cccc3)c4c(cc2F)cccc4",{"$nulls":4},260.10012863600014,"?"]
[3235,"CC1=C2C=CC3=CC=CC=C3C2=CC2=CC=CC=C12","2541-69-7","Cc1c2ccccc2cc2c1ccc1ccccc12","Cc1c2c(cc3c1cccc3)c4c(cc2)cccc4",{"$nulls":4},242.109550448,"?"]
[3236,"OC(=O)CCCCCCCC=O","2553-17-5","O=CCCCCCCCC(=O)O","O=CCCCCCCCC(=O)O",{"$nulls":4},172.109944372,"?"]
[3237,null,"2563-99-7",{"$nulls":7},""]
[3238,"CCC1OCCO1","2568-96-9","CCC1OCCO1","CCC1OCCO1",{"$nulls":4},102.06807956,"?"]
[3239,"CC(=C)[CH]1[CH]2OC(=O)[CH]1[C]1(O)[CH]3O[CH]3[C]3(CO3)[C]1(C)[CH]2O","2571-22-4","C=C(C)C1C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2O","C=C(C)C1C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O",{"$nulls":4},294.1103382960005,"?"]
[3240,"NC(=NO)C(N)=NO","2580-79-2","NC(=NO)C(N)=NO","NC(=NO)C(N)=NO",{"$nulls":4},118.049075432,"?"]
[3241,"CC1=C(C=CC(O)=C1)[N+]([O-])=O","2581-34-2","Cc1cc(O)ccc1[N+](=O)[O-]","Cc1c(ccc(c1)O)[N+](=O)[O-]",{"$nulls":4},153.042593084,"?"]
[3242,"[O-][N+](=O)C1=CC=C(C=C1)N=NC1=CC=C(NC2=CC=CC=C2)C=C1","2581-69-3","O=[N+]([O-])c1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)Nc3ccccc3","C.I",{"$nulls":3},462.0552738480004,"?"]
[3243,null,"2582-07-2",{"$nulls":7},""]
[3244,"OC(=O)CCC=CC(O)=O","2583-24-6","O=C(O)C=CCCC(=O)O","O=C(O)C=CCCC(=O)O",{"$nulls":4},144.042258736,"?"]
[3245,"CCOP(=S)(OCC)SCS(=O)CC","2588-03-6","CCOP(=S)(OCC)SCS(=O)CC","CCOP(=S)(OCC)SCS(=O)CC",{"$nulls":4},276.00774403400044,"?"]
[3246,"CCOP(=S)(OCC)SCS(=O)(=O)CC","2588-04-7","CCOP(=S)(OCC)SCS(=O)(=O)CC","CCOP(=S)(OCC)SCS(=O)(=O)CC",{"$nulls":4},292.00265865400047,"?"]
[3247,"CCOP(=O)(OCC)SCS(=O)CC","2588-05-8","CCOP(=O)(OCC)SCS(=O)CC","CCOP(=O)(OCC)SCS(=O)CC",{"$nulls":4},260.0305876540001,"?"]
[3248,"CCOC1=NC(=NS1)C(Cl)(Cl)Cl","2593-15-9","CCOc1nc(C(Cl)(Cl)Cl)ns1","CCOc1snc(n1)C(Cl)(Cl)Cl",{"$nulls":4},245.91881682,"?"]
[3249,"CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC","2595-54-2","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC",{"$nulls":4},329.0520513700005,"?"]
[3250,"CCOC(=O)C(SP(=S)(OC)OC)C1=CC=CC=C1","2597-03-7","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1",{"$nulls":4},320.03058765400044,"?"]
[3251,"C[Hg]C#N","2597-97-9","C[Hg]C#N","C[Hg]C#N",{"$nulls":4},242.997192096,"?"]
[3252,"CCNC1=NC(NCC)=NC(O)=N1","2599-11-3","CCNc1nc(O)nc(NCC)n1","CCNc1nc(nc(n1)O)NCC",{"$nulls":4},183.112010036,"?"]
[3253,"CC1=NC(C)=C(C=C1C(O)=O)C(O)=O","2602-36-0","Cc1nc(C)c(C(=O)O)cc1C(=O)O","Cc1c(cc(c(n1)C)C(=O)O)C(=O)O",{"$nulls":4},195.053157768,"?"]
[3254,"[Na+].[Na+].[Na+].OC1=C(N=NC2=C3C=CC=CC3=C(C=C2)S([O-])(=O)=O)C2=C(C=C(C=C2C=C1)S([O-])(=O)=O)S([O-])(=O)=O","2611-82-7","O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2c(N=Nc3ccc(S(=O)(=O)[O-])c4ccccc34)c(O)ccc2c1","O=S(=O)(O)c1cc2c(c(c1)S(=O)(=O)O)c(N=Nc3c4c(c(cc3)S(=O)(=O)O)cccc4)c(O)cc2","[Na+]","[Na+]","[Na+]",null,603.9268903920001,"Structure has been neutralized"]
[3255,null,"2620-71-5",{"$nulls":7},""]
[3256,"OC1CCN(CCCN2C3=CC=CC=C3SC3=CC=C(C=C23)C#N)CC1","2622-26-6","N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2","N#Cc1cc2c(cc1)Sc3c(N2CCCN4CCC(CC4)O)cccc3",{"$nulls":4},365.15618335600067,"?"]
[3257,"CC(=O)NC1=CC=C(OC(C)=O)C=C1","2623-33-8","CC(=O)Nc1ccc(OC(C)=O)cc1","CC(=O)Nc1ccc(cc1)OC(C)=O",{"$nulls":4},193.073893212,"?"]
[3258,null,"2625-22-1",{"$nulls":7},""]
[3259,"CN1C(=O)N(C)C2=NC(C)=C(C)N=C2C1=O","2625-25-4","Cc1nc2c(=O)n(C)c(=O)n(C)c2nc1C","Cc1c(nc2c(n1)c(=O)n(C)c(=O)n2C)C",{"$nulls":4},220.096025624,"?"]
[3260,"CNC(=O)OC1=CC(=CC(C)=C1)C(C)C","2631-37-0","CNC(=O)Oc1cc(C)cc(C(C)C)c1","CNC(=O)Oc1cc(cc(c1)C)C(C)C",{"$nulls":4},207.125928784,"?"]
[3261,"CNC(=O)OC1=C(C=CC=C1)C(C)C","2631-40-5","CNC(=O)Oc1ccccc1C(C)C","CNC(=O)Oc1c(cccc1)C(C)C",{"$nulls":4},193.11027872,"?"]
[3262,"OC1=C(C=O)C=C(I)C=C1I","2631-77-8","O=Cc1cc(I)cc(I)c1O","O=Cc1c(c(cc(c1)I)I)O",{"$nulls":4},373.8300753680001,"?"]
[3263,"CCC1=NC(CC)=C(C)C(N)=N1","2635-56-5","CCc1nc(N)c(C)c(CC)n1","CCc1nc(c(c(n1)N)C)CC",{"$nulls":4},165.12659748,"?"]
[3264,"CCCC(=O)OC1=CC=C(C=C1)[N+]([O-])=O","2635-84-9","CCCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},209.068807832,"?"]
[3265,"COP(=S)(OC)OC1=CC=C(C=C1)C#N","2636-26-2","COP(=S)(OC)Oc1ccc(C#N)cc1","COP(=S)(OC)Oc1ccc(cc1)C#N",{"$nulls":4},243.01190081,"?"]
[3266,"ON=C1C(=O)C=CC2=CC=CC=C12","2636-79-5","O=C1C=Cc2ccccc2C1=NO","O=C1C(c2c(C=C1)cccc2)=NO",{"$nulls":4},173.047678464,"?"]
[3267,"CC(CCC(O)=O)(N=NC(C)(CCC(O)=O)C#N)C#N","2638-94-0","CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O","CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O",{"$nulls":4},280.11715499200045,"?"]
[3268,"CCOP(=S)(OCC)SCN1N=NC2=CC=CC=C2C1=O","2642-71-9","CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O","CCOP(=S)(OCC)SCn1c(c2c(nn1)cccc2)=O",{"$nulls":4},345.0370700020004,"?"]
[3269,"NC1=CC2=C(C=CC3=CC=CC=C23)C2=CC=CC=C12","2642-98-0","Nc1cc2c3ccccc3ccc2c2ccccc12","Nc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2",{"$nulls":4},243.104799416,"?"]
[3270,"CNC(=O)OC1=CC(C)=CC(C)=C1","2655-14-3","CNC(=O)Oc1cc(C)cc(C)c1","CNC(=O)Oc1cc(cc(c1)C)C",{"$nulls":4},179.094628656,"?"]
[3271,"CNC(=O)OC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C","2655-19-8","CNC(=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1","CNC(=O)Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C",{"$nulls":4},263.1885290400002,"?"]
[3272,"COC1=CC(Cl)=C(OC)C=C1Cl","2675-77-6","COc1cc(Cl)c(OC)cc1Cl","COc1c(cc(c(c1)Cl)OC)Cl",{"$nulls":4},205.990134856,"?"]
[3273,"CNCCC(O)=O","2679-14-3","CNCCC(=O)O","CNCCC(=O)O",{"$nulls":4},103.063328528,"?"]
[3274,"CCCCCCCCCCCCN1CCCC1=O","2687-96-9","CCCCCCCCCCCCN1CCCC1=O","CCCCCCCCCCCCN1C(CCC1)=O",{"$nulls":4},253.240564612,"?"]
[3275,"ClC1=CC=CC=C1OC1=CC=CC=C1","2689-07-8","Clc1ccccc1Oc1ccccc1","Clc1c(cccc1)Oc2ccccc2",{"$nulls":4},204.034192588,"?"]
[3276,"CCS(=O)CCSP(=S)(OC)OC","2703-37-9","CCS(=O)CCSP(=S)(OC)OC","CCS(=O)CCSP(=S)(OC)OC",{"$nulls":4},261.99209397000016,"?"]
[3277,"CC(=O)NC1=CC=C(C=C1)C(C)=O","2719-21-3","CC(=O)Nc1ccc(C(C)=O)cc1","CC(=O)Nc1ccc(cc1)C(C)=O",{"$nulls":4},177.078978592,"?"]
[3278,"[O-][N+](=O)C1=CC2=C(OC(=O)C=C2)C=C1","2725-81-7","O=c1ccc2cc([N+](=O)[O-])ccc2o1","O=c1oc2c(cc1)cc([N+](=O)[O-])cc2",{"$nulls":4},191.02185764,"?"]
[3279,"CCCCOP(=O)(OCC)OCC","2737-00-0","CCCCOP(=O)(OCC)OCC","CCCCOP(=O)(OCC)OCC",{"$nulls":4},210.102095718,"?"]
[3280,"CCOC(=O)C(N)CC(C)C","2743-60-4","CCOC(=O)C(N)CC(C)C","CCOC(=O)C(N)CC(C)C",{"$nulls":4},159.125928784,"?"]
[3281,"OC(=O)C(CSSCC(NC(=O)CC1=CC=CC=C1)C(O)=O)NC(=O)CC1=CC=CC=C1","2752-39-8","O=C(Cc1ccccc1)NC(CSSCC(NC(=O)Cc1ccccc1)C(=O)O)C(=O)O","O=C(Cc1ccccc1)NC(CSSCC(NC(=O)Cc2ccccc2)C(=O)O)C(=O)O",{"$nulls":4},476.1075784880006,"?"]
[3282,null,"2754-57-6",{"$nulls":7},""]
[3283,"C1C[N+]2=C(C=CC=C2)C2=CC=CC=[N+]12","2764-72-9","c1cc[n+]2c(c1)-c1cccc[n+]1CC2","c1cc-2[n+](cc1)CC[n+]3c2cccc3",{"$nulls":4},184.100048384,"?"]
[3284,"COC1=CC(Cl)=C(Cl)C=C1OC","2772-46-5","COc1cc(Cl)c(Cl)cc1OC","COc1c(cc(c(c1)Cl)Cl)OC",{"$nulls":4},205.990134856,"?"]
[3285,"COC1=COC(CSP(=O)(OC)OC)=CC1=O","2778-04-3","COc1coc(CSP(=O)(OC)OC)cc1=O","COc1c(cc(oc1)CSP(=O)(OC)OC)=O",{"$nulls":4},280.01704576600036,"?"]
[3286,null,"2784-22-7",{"$nulls":7},""]
[3287,"CC(O)(P(O)(O)=O)P(O)(O)=O","2809-21-4","CC(O)(P(=O)(O)O)P(=O)(O)O","CC(O)(P(=O)(O)O)P(=O)(O)O",{"$nulls":4},205.974525856,"?"]
[3288,"CCC(C)C1=C(OC(C)=O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O","2813-95-8","CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(C)=O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(C)=O",{"$nulls":4},282.0851861680004,"?"]
[3289,"C[CH]1CN[CH](C)CN1","2815-34-1","CC1CNC(C)CN1","CC1NCC(NC1)C",{"$nulls":4},114.11569844799999,"?"]
[3290,"CC(=O)C=CC(O)=O","2833-21-8","CC(=O)C=CC(=O)O","CC(=O)C=CC(=O)O",{"$nulls":4},114.031694052,"?"]
[3291,"OC(=O)CCCCCCCCCCBr","2834-05-1","O=C(O)CCCCCCCCCCBr","O=C(O)CCCCCCCCCCBr",{"$nulls":4},264.0724920120002,"?"]
[3292,"NC(C(O)=O)C1=CC=CC=C1","2835-06-5","NC(C(=O)O)c1ccccc1","NC(C(=O)O)c1ccccc1",{"$nulls":4},151.063328528,"?"]
[3293,"CCC(N)C(O)=O","2835-81-6","CCC(N)C(=O)O","CCC(N)C(=O)O",{"$nulls":4},103.063328528,"?"]
[3294,"FC(Cl)C(F)(F)F","2837-89-0","FC(Cl)C(F)(F)F","FC(Cl)C(F)(F)F",{"$nulls":4},135.970290592,"?"]
[3295,"COC1=CC(Cl)=CC=C1","2845-89-8","COc1cccc(Cl)c1","COc1cc(ccc1)Cl",{"$nulls":4},142.018542524,"?"]
[3296,"[Na+].[Na+].NC1=CC(=C(O)C2=C1C(=O)C1=C(C(N)=CC(=C1O)S([O-])(=O)=O)C2=O)S([O-])(=O)=O","2861-02-1","Nc1cc(S(=O)(=O)[O-])c(O)c2c1C(=O)c1c(O)c(S(=O)(=O)[O-])cc(N)c1C2=O","Nc1c2c(c(c(c1)S(=O)(=O)O)O)C(c3c(C2=O)c(O)c(S(=O)(=O)O)cc3N)=O","[Na+]","[Na+]",null,null,473.941575016,"Structure has been neutralized"]
[3297,"CC1(C)OCCO1","2916-31-6","CC1(C)OCCO1","CC1(OCCO1)C",{"$nulls":4},102.06807956,"?"]
[3298,null,"2921-88-2",{"$nulls":7},""]
[3299,"O=C1CCCC1C#N","2941-29-9","N#CC1CCCC1=O","N#CC1C(CCC1)=O",{"$nulls":4},109.052763844,"?"]
[3300,"CCSC(=O)N(CC)CC","2941-55-1","CCSC(=O)N(CC)CC","CCSC(=O)N(CC)CC",{"$nulls":4},161.0874351,"?"]
[3301,null,"2948-89-2",{"$nulls":7},""]
[3302,"CCCCOP(=O)(CCCC)CCCC","2950-47-2","CCCCOP(=O)(CCCC)CCCC","CCCCOP(=O)(CCCC)CCCC",{"$nulls":4},234.174866734,"?"]
[3303,"CC1=NC(C)=C(Cl)C(O)=C1Cl","2971-90-6","Cc1nc(C)c(Cl)c(O)c1Cl","Cc1c(c(c(c(n1)C)Cl)O)Cl",{"$nulls":4},190.990469204,"?"]
[3304,"OC1=C(Br)C=C(C=O)C=C1","2973-78-6","O=Cc1ccc(O)c(Br)c1","O=Cc1cc(c(cc1)O)Br",{"$nulls":4},199.9472915,"?"]
[3305,"ClC1=CC=C(C=C1)C1=CC(Cl)=CC=C1","2974-90-5","Clc1ccc(-c2cccc(Cl)c2)cc1","Clc1ccc(cc1)-c2cc(ccc2)Cl",{"$nulls":4},222.000305616,"?"]
[3306,"ClC1=C(Cl)C=C(C=C1)C1=CC=CC=C1","2974-92-7","Clc1ccc(-c2ccccc2)cc1Cl","Clc1c(cc(cc1)-c2ccccc2)Cl",{"$nulls":4},222.000305616,"?"]
[3307,"OC(=O)COC1=C(Cl)C(Cl)=CC=C1","2976-74-1","O=C(O)COc1cccc(Cl)c1Cl","O=C(O)COc1c(c(ccc1)Cl)Cl",{"$nulls":4},219.96939941199997,"?"]
[3308,"CCOC(=O)C(C)OC(C)=O","2985-28-6","CCOC(=O)C(C)OC(C)=O","CCOC(=O)C(C)OC(C)=O",{"$nulls":4},160.073558864,"?"]
[3309,"NC1=CC=C(SC#N)C=C1","2987-46-4","N#CSc1ccc(N)cc1","N#CSc1ccc(cc1)N",{"$nulls":4},150.025169192,"?"]
[3310,"NC1=NC2=NC=NC2C(=N1)C(F)(F)F","2993-20-6","NC1=NC2=NC=NC2C(C(F)(F)F)=N1","NC=1N=C(C2C(N1)=NC=N2)C(F)(F)F",{"$nulls":4},203.041879788,"?"]
[3311,"CCN(CC)C1=NC(NC(C)C)=NC(OC)=N1","3004-70-4","CCN(CC)c1nc(NC(C)C)nc(OC)n1","CCN(CC)c1nc(nc(n1)NC(C)C)OC",{"$nulls":4},239.17461029199998,"?"]
[3312,"CNC1=NC(Cl)=NC(NC(C)C)=N1","3004-71-5","CNc1nc(Cl)nc(NC(C)C)n1","CNc1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},201.07812306399998,"?"]
[3313,"OC1=C(C=C(C=O)C=C1)[N+]([O-])=O","3011-34-5","O=Cc1ccc(O)c([N+](=O)[O-])c1","O=Cc1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},167.02185764,"?"]
[3314,"CC(Br)CCl","3017-95-6","CC(Br)CCl","CC(Br)CCl",{"$nulls":4},155.934139972,"?"]
[3315,"CC(=O)CSC#N","3029-48-9","CC(=O)CSC#N","CC(=O)CSC#N",{"$nulls":4},115.00918478,"?"]
[3316,"CC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O","3032-55-1","CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]",{"$nulls":4},255.03387886800002,"?"]
[3317,"CNC1=NC(NC(C)C)=NC(OC)=N1","3035-45-8","CNc1nc(NC(C)C)nc(OC)n1","CNc1nc(nc(n1)NC(C)C)OC",{"$nulls":4},197.12766009999999,"?"]
[3318,"NC1=C(Br)C(=O)N(N=C1)C1=CC=CC=C1","3042-84-0","Nc1cnn(-c2ccccc2)c(=O)c1Br","Nc1c(c(n(nc1)-c2ccccc2)=O)Br",{"$nulls":4},264.9850739760002,"?"]
[3319,null,"3058-01-3",{"$nulls":7},""]
[3320,null,"3060-46-6",{"$nulls":7},""]
[3321,"CON(C)C(=O)NC1=CC=C(Br)C=C1","3060-89-7","CON(C)C(=O)Nc1ccc(Br)cc1","CON(C)C(=O)Nc1ccc(cc1)Br",{"$nulls":4},258.00038969200006,"?"]
[3322,null,"3067-19-4",{"$nulls":7},""]
[3323,"CC1CC(=O)O1","3068-88-0","CC1CC(=O)O1","CC1OC(C1)=O",{"$nulls":4},86.036779432,"?"]
[3324,"C=CCCCC=C","3070-53-9","C=CCCCC=C","C=CCCCC=C",{"$nulls":4},96.093900384,"?"]
[3325,"CC1CCCC(C)(C)C1","3073-66-3","CC1CCCC(C)(C)C1","CC1CC(CCC1)(C)C",{"$nulls":4},126.14085057599999,"?"]
[3326,"CC1=CC=C(C=C1)N(CCO)CCO","3077-12-1","Cc1ccc(N(CCO)CCO)cc1","Cc1ccc(cc1)N(CCO)CCO",{"$nulls":4},195.125928784,"?"]
[3327,"OC(=O)CNCCC#N","3088-42-4","N#CCCNCC(=O)O","N#CCCNCC(=O)O",{"$nulls":4},128.058577496,"?"]
[3328,null,"3107-04-8",{"$nulls":7},""]
[3329,null,"3109-12-4",{"$nulls":7},""]
[3331,"CC(C)(C)CCCO","3121-79-7","CC(C)(C)CCCO","CC(C)(C)CCCO",{"$nulls":4},116.120115132,"?"]
[3332,"OC(=N)C[CH](NC(O)=N)C(O)=O","3130-86-7","N=C(O)CC(NC(=N)O)C(=O)O","N=C(O)CC(NC(=N)O)C(=O)O",{"$nulls":4},175.059305768,"?"]
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[3344,null,"3192-10-7",{"$nulls":7},""]
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[3349,null,"3209-15-2",{"$nulls":7},""]
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[3351,"OC(=O)C1=NOC=C1","3209-71-0","O=C(O)c1ccon1","O=C(O)c1nocc1",{"$nulls":4},113.011292956,"?"]
[3352,null,"3213-22-7",{"$nulls":7},""]
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[3359,null,"3260-51-3",{"$nulls":7},""]
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[3362,null,"3283-26-9",{"$nulls":7},""]
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[3364,"OCC(CO)(CBr)CBr","3296-90-0","OCC(CO)(CBr)CBr","OCC(CO)(CBr)CBr",{"$nulls":4},259.9047537600001,"?"]
[3365,null,"3299-82-9",{"$nulls":7},""]
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[3367,null,"3318-78-3",{"$nulls":7},""]
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[3371,null,"3343-95-1",{"$nulls":7},""]
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[3374,null,"3383-96-8",{"$nulls":7},""]
[3375,"C=CCCN=C=S","3386-97-8","C=CCCN=C=S","C=CCCN=C=S",{"$nulls":4},113.029920224,"?"]
[3376,null,"3387-87-9",{"$nulls":7},""]
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[3379,null,"3408-30-8",{"$nulls":7},""]
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[3388,"[H]C12OC(=O)C([H])([C]3(O)[CH]4O[CH]4[C]4(CO4)[C]3(C)C1O)[C]2(O)C(C)=C","3484-46-6","C=C(C)C1(O)C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2O","C=C(C)C1(C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O)O",{"$nulls":4},310.10525291600044,"?"]
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[3417,"CCC1=C2C=CC3=CC=CC=C3C2=CC2=CC=CC=C12","3697-30-1","CCc1c2ccccc2cc2c1ccc1ccccc12","CCc1c2c(cc3c1cccc3)c4c(cc2)cccc4",{"$nulls":4},256.125200512,"?"]
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[3420,"CC=CC(O)=O","3724-65-0","CC=CC(=O)O","CC=CC(=O)O",{"$nulls":4},86.036779432,"?"]
[3421,"NCC1=CC=CC=N1","3731-51-9","NCc1ccccn1","NCc1ncccc1",{"$nulls":4},108.06874825599999,"?"]
[3422,"NCC1=CC=NC=C1","3731-53-1","NCc1ccncc1","NCc1ccncc1",{"$nulls":4},108.06874825599999,"?"]
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[3427,"CCCCCC1CCCC1","3741-00-2","CCCCCC1CCCC1","CCCCCC1CCCC1",{"$nulls":4},140.15650064,"?"]
[3428,"O=S1OCCO1","3741-38-6","O=S1OCCO1","O=S1OCCO1",{"$nulls":4},107.988114988,"?"]
[3429,null,"3751-95-9",{"$nulls":7},""]
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[3451,null,"3972-40-5",{"$nulls":7},""]
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[3480,null,"4340-77-6",{"$nulls":7},""]
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[3490,null,"4396-01-4",{"$nulls":7},""]
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[3502,null,"4454-18-6",{"$nulls":7},""]
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[3511,null,"4584-66-1",{"$nulls":7},""]
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[3515,null,"4607-63-0",{"$nulls":7},""]
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[3518,null,"4636-41-3",{"$nulls":7},""]
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[3525,null,"4720-09-6",{"$nulls":7},""]
[3526,null,"4724-01-0",{"$nulls":7},""]
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[3578,"CC1=C(C(=O)NC2=CC=CC=C2)S(=O)(=O)CCO1","5259-88-1","CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1","CC=1OCCS(C1C(=O)Nc2ccccc2)(=O)=O",{"$nulls":4},267.0565288960003,"?"]
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[3646,null,"5648-29-3",{"$nulls":7},""]
[3647,null,"5651-01-4",{"$nulls":7},""]
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[3652,null,"5664-51-7",{"$nulls":7},""]
[3653,null,"5666-23-9",{"$nulls":7},""]
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[3655,"OC(C(O)C1=CC=CC=C1)C(O)=O","5695-95-4","O=C(O)C(O)C(O)c1ccccc1","O=C(O)C(O)C(O)c1ccccc1",{"$nulls":4},182.0579088,"?"]
[3656,"CC(=O)CC(=O)C(O)=O","5699-58-1","CC(=O)CC(=O)C(=O)O","CC(=O)CC(=O)C(=O)O",{"$nulls":4},130.026608672,"?"]
[3657,null,"5707-59-5",{"$nulls":7},""]
[3658,null,"5739-18-4",{"$nulls":7},""]
[3659,null,"5756-69-4",{"$nulls":7},""]
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[3661,null,"5769-37-9",{"$nulls":7},""]
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[3666,"ClCCS(=O)CCCl","5819-08-9","O=S(CCCl)CCCl","O=S(CCCl)CCCl",{"$nulls":4},173.967291236,"?"]
[3667,"COC(=O)C1C2CC(C=C2)C1C(=O)OC","5826-73-3","COC(=O)C1C2C=CC(C2)C1C(=O)OC","COC(=O)C1C(C2C=CC1C2)C(=O)OC",{"$nulls":4},210.089208928,"?"]
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[3679,"CCCCCC(O)CCC","5932-79-6","CCCCCC(O)CCC","CCCCCC(O)CCC",{"$nulls":4},144.15141526,"?"]
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[3683,"CCCC1=NC(N)=NC(N)=N1","5962-23-2","CCCc1nc(N)nc(N)n1","CCCc1nc(nc(n1)N)N",{"$nulls":4},153.10144535199998,"?"]
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[3690,null,"6009-81-0",{"$nulls":7},""]
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[3692,null,"6035-40-1",{"$nulls":7},""]
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[3696,"CCN(C1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","6052-13-7","CCN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-]","CCN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},301.0294621840002,"?"]
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[3700,null,"6093-30-7",{"$nulls":7},""]
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[3707,"CNCl","6154-14-9","CNCl","CNCl",{"$nulls":4},65.003226808,"?"]
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[3710,"CCCCCC[CH](C)O","6169-06-8","CCCCCCC(C)O","CCCCCCC(C)O",{"$nulls":4},130.135765196,"?"]
[3711,null,"6170-45-2",{"$nulls":7},""]
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[3713,null,"6192-44-5",{"$nulls":7},""]
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[3715,null,"6214-28-4",{"$nulls":7},""]
[3716,"OC(=O)C(S)CS","6220-25-3","O=C(O)C(S)CS","O=C(O)C(S)CS",{"$nulls":4},137.980921432,"?"]
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[3719,null,"6245-33-6",{"$nulls":7},""]
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[3724,"Br.CCNCC","6274-12-0","Br","Br","CCNCC",{"$nulls":3},153.015311484,"?"]
[3725,"CC1=C(N)C=C(C=C1)S(N)(=O)=O","6274-28-8","Cc1ccc(S(N)(=O)=O)cc1N","Cc1c(cc(cc1)S(N)(=O)=O)N",{"$nulls":4},186.04629856,"?"]
[3726,"CCCCCCCCN=C(O)C(C)O","6280-23-5","CCCCCCCCN=C(O)C(C)O","CCCCCCCCN=C(O)C(C)O",{"$nulls":4},201.172878976,"?"]
[3727,"CCCCCCCCCCN=C(O)C(C)O","6280-24-6","CCCCCCCCCCN=C(O)C(C)O","CCCCCCCCCCN=C(O)C(C)O",{"$nulls":4},229.204179104,"?"]
[3728,"CC(O)C(=O)OC(C)C(=O)OCC=C","6283-80-3","C=CCOC(=O)C(C)OC(=O)C(C)O","C=CCOC(=O)C(C)OC(=O)C(C)O",{"$nulls":4},202.084123548,"?"]
[3729,"CNC[CH](O)[CH](O)[CH](O)[CH](O)CO","6284-40-8","CNCC(O)C(O)C(O)C(O)CO","CNCC(O)C(O)C(O)C(O)CO",{"$nulls":4},195.110672644,"?"]
[3730,"COC(=O)C(C)OC(C)=O","6284-75-9","COC(=O)C(C)OC(C)=O","COC(=O)C(C)OC(C)=O",{"$nulls":4},146.0579088,"?"]
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[3732,"OC(=O)CN(CCC#N)CCC#N","6295-23-4","N#CCCN(CCC#N)CC(=O)O","N#CCCN(CCC#N)CC(=O)O",{"$nulls":4},181.085126592,"?"]
[3733,"COC1=CC2=NC=CN=C2C(N)=C1OC","6295-30-3","COc1cc2nccnc2c(N)c1OC","COc1c(c(c2c(c1)nccn2)N)OC",{"$nulls":4},205.085126592,"?"]
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[3735,"CC(C)CC(C)CO","6305-71-1","CC(C)CC(C)CO","CC(C)CC(C)CO",{"$nulls":4},116.120115132,"?"]
[3736,"NC(=O)C1=CC=C(C=C1)S(N)(=O)=O","6306-24-7","NC(=O)c1ccc(S(N)(=O)=O)cc1","NC(=O)c1ccc(cc1)S(N)(=O)=O",{"$nulls":4},200.025563116,"?"]
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[3739,"CC1=CC2=C(NC(=O)C(=O)N2)C=C1","6309-61-1","Cc1ccc2[nH]c(=O)c(=O)[nH]c2c1","Cc1cc2c(cc1)[nH]c(=O)c(=O)[nH]2",{"$nulls":4},176.058577496,"?"]
[3740,"OC(=O)C1=CC(=C(Br)C=C1)[N+]([O-])=O","6319-40-0","O=C(O)c1ccc(Br)c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)Br)[N+](=O)[O-]",{"$nulls":4},244.932369708,"?"]
[3741,"CN1C2=CC=CC=C2C(O)(C2=CC=CC=C2)C2=CC=CC=C12","6321-72-8","CN1c2ccccc2C(O)(c2ccccc2)c2ccccc21","CN1c2c(C(c3c1cccc3)(O)c4ccccc4)cccc2",{"$nulls":4},287.1310141640005,"?"]
[3742,"CC1(CCCC=C1C(O)=O)C(O)=O","6321-87-5","CC1(C(=O)O)CCCC=C1C(=O)O","CC1(C(=CCCC1)C(=O)O)C(=O)O",{"$nulls":4},184.073558864,"?"]
[3743,null,"6328-87-6",{"$nulls":7},""]
[3744,"OC(=O)CC(N(CCC#N)CCC#N)C(O)=O","6328-90-1","N#CCCN(CCC#N)C(CC(=O)O)C(=O)O","N#CCCN(CCC#N)C(CC(=O)O)C(=O)O",{"$nulls":4},239.090605896,"?"]
[3745,"CC1=NC(CC2=CC=CC=C2)C(=O)O1","6329-16-4","CC1=NC(Cc2ccccc2)C(=O)O1","CC=1OC(C(N1)Cc2ccccc2)=O",{"$nulls":4},189.078978592,"?"]
[3746,"CC1=CC(C)=C(CC(O)=O)C=C1","6331-04-0","Cc1ccc(CC(=O)O)c(C)c1","Cc1cc(c(cc1)CC(=O)O)C",{"$nulls":4},164.083729624,"?"]
[3747,"COC1=C(OCC(O)=O)C=CC(CC=C)=C1","6331-61-9","C=CCc1ccc(OCC(=O)O)c(OC)c1","C=CCc1cc(c(cc1)OCC(=O)O)OC",{"$nulls":4},222.089208928,"?"]
[3748,"CC=CC(=O)OC1C[CH]2O[CH]3C=C(C)C(=O)C[C]3(C)[C]1(C)[C]21CO1","6379-69-7","CC=CC(=O)OC1CC2OC3C=C(C)C(=O)CC3(C)C1(C)C21CO1","CC=CC(=O)OC1C2(C3(C(OC(C1)C24OC4)C=C(C)C(=O)C3)C)C",{"$nulls":4},332.16237386800066,"?"]
[3749,"CCCCCOC(=O)C(C)O","6382-06-5","CCCCCOC(=O)C(C)O","CCCCCOC(=O)C(C)O",{"$nulls":4},160.109944372,"?"]
[3750,"OCC1=C(OCC(O)=O)C=CC(Cl)=C1","6386-63-6","O=C(O)COc1ccc(Cl)cc1CO","O=C(O)COc1c(cc(cc1)Cl)CO",{"$nulls":4},216.018936448,"?"]
[3751,"CNC(=O)OC1=CC(C)=C(N(CC=C)CC=C)C(C)=C1","6392-46-7","C=CCN(CC=C)c1c(C)cc(OC(=O)NC)cc1C","C=CCN(CC=C)c1c(cc(cc1C)OC(=O)NC)C",{"$nulls":4},274.1681279440005,"?"]
[3752,"NC1=CC(=C(N)C(=C1)S(O)(=O)=O)S(O)(=O)=O","6409-48-9","Nc1cc(S(=O)(=O)O)c(N)c(S(=O)(=O)O)c1","Nc1cc(c(c(c1)S(=O)(=O)O)N)S(=O)(=O)O",{"$nulls":4},267.98237797600024,"?"]
[3753,"OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O","6419-19-8","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O",{"$nulls":4},298.97249085400034,"?"]
[3754,"ClC1=CC=CC(OC2=CC=CC=C2)=C1","6452-49-9","Clc1cccc(Oc2ccccc2)c1","Clc1cc(ccc1)Oc2ccccc2",{"$nulls":4},204.034192588,"?"]
[3755,null,"6465-14-1",{"$nulls":7},""]
[3756,null,"6477-73-2",{"$nulls":7},""]
[3757,null,"6477-90-3",{"$nulls":7},""]
[3758,"CC(=C)[CH]1CC=C(C)C(=O)C1","6485-40-1","C=C(C)C1CC=C(C)C(=O)C1","C=C(C)C1CC(C(=CC1)C)=O",{"$nulls":4},150.104465068,"?"]
[3759,"OC1=C(C=C(C=C1)N(=O)=O)C(=O)NC1=CC=C(Cl)C=C1","6490-98-8","O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O","O=C(Nc1ccc(cc1)Cl)c2c(ccc(c2)[N+](=O)[O-])O",{"$nulls":4},292.02508444800026,"?"]
[3760,"OC1=C(C=CC=C1[N+]([O-])=O)C(=O)NC1=CC=C(Cl)C=C1","6490-99-9","O=C(Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1O","O=C(Nc1ccc(cc1)Cl)c2c(c(ccc2)[N+](=O)[O-])O",{"$nulls":4},292.02508444800026,"?"]
[3761,"CC(C)C(Br)C(O)=N[CH](C)C(O)=O","6491-36-7","CC(N=C(O)C(Br)C(C)C)C(=O)O","CC(N=C(O)C(Br)C(C)C)C(=O)O",{"$nulls":4},251.015705408,"?"]
[3762,"CN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C","6493-05-6","CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O","CC(=O)CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",{"$nulls":4},278.1378904360005,"?"]
[3763,"CCCCCOC(=O)C1=CC=C(O)C=C1","6521-29-5","CCCCCOC(=O)c1ccc(O)cc1","CCCCCOC(=O)c1ccc(cc1)O",{"$nulls":4},208.109944372,"?"]
[3764,"[H][C]12CC[C](O)(C#C)[C]1(CC)CC[C]1([H])[C]3([H])CCC(=O)C=C3CC[C]21[H]","6533-00-2","C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21CC","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)CC)O",{"$nulls":4},312.20893013600073,"?"]
[3765,"O=CCC1=CC2=C(OCO2)C=C1","6543-34-6","O=CCc1ccc2c(c1)OCO2","O=CCc1cc2c(cc1)OCO2",{"$nulls":4},164.047344116,"?"]
[3766,null,"6566-40-1",{"$nulls":7},""]
[3767,null,"6600-40-4",{"$nulls":7},""]
[3768,"CCNC1=NC(NCC(=O)OCC)=NC(Cl)=N1","6616-80-4","CCNc1nc(Cl)nc(NCC(=O)OCC)n1","CCNc1nc(nc(n1)Cl)NCC(=O)OCC",{"$nulls":4},259.0836023680001,"?"]
[3769,null,"6620-95-7",{"$nulls":7},""]
[3770,"CC(C)OC1=CC=C(COC2=C(Cl)C=C(CC(O)=O)C=C2)C=C1","6622-23-7","CC(C)Oc1ccc(COc2ccc(CC(=O)O)cc2Cl)cc1","CC(C)Oc1ccc(cc1)COc2c(cc(cc2)CC(=O)O)Cl",{"$nulls":4},334.09718676800054,"?"]
[3771,null,"6635-29-6",{"$nulls":7},""]
[3772,"COC1=C(NC(=S)NN=CC2=CC(=CC=C2)[N+]([O-])=O)C=C(C)C=C1","6668-12-8","COc1ccc(C)cc1NC(=S)NN=Cc1cccc([N+](=O)[O-])c1","COc1c(cc(cc1)C)NC(=S)NN=Cc2cc(ccc2)[N+](=O)[O-]",{"$nulls":4},344.09431137200045,"?"]
[3773,"CC1CCC(=O)N1C1=CC=CC=C1","6724-71-6","CC1CCC(=O)N1c1ccccc1","CC1N(C(CC1)=O)c2ccccc2",{"$nulls":4},175.099714036,"?"]
[3774,"CC1CC(C)(C)CC(C1)(OOC(C)(C)C)OOC(C)(C)C","6731-36-8","CC1CC(C)(C)CC(OOC(C)(C)C)(OOC(C)(C)C)C1","CC1CC(CC(C1)(C)C)(OOC(C)(C)C)OOC(C)(C)C",{"$nulls":4},302.24570956800096,"?"]
[3775,"COC(=O)C1=C(C=CC=C1[N+]([O-])=O)C(O)=O","6744-85-0","COC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]","COC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",{"$nulls":4},225.027336944,"?"]
[3776,"CCCOC(=O)C1=C(C=CC=C1N(=O)=O)C(O)=O","6744-86-1","CCCOC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]","CCCOC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",{"$nulls":4},253.058637072,"?"]
[3777,"CC(C)OC(=O)C1=C(C=CC=C1N(=O)=O)C(O)=O","6744-87-2","CC(C)OC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]","CC(C)OC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",{"$nulls":4},253.058637072,"?"]
[3778,"CC(C)COC(=O)C1=C(C=CC=C1N(=O)=O)C(O)=O","6744-88-3","CC(C)COC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]","CC(C)COC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",{"$nulls":4},267.0742871360003,"?"]
[3779,null,"6744-92-9",{"$nulls":7},""]
[3780,"CC1=CC(C)=C(C(C)=C1)P(O)=O","6781-97-1","Cc1cc(C)c([PH](=O)O)c(C)c1","Cc1cc(c(c(c1)C)P(=O)O)C",{"$nulls":4},184.065316286,"?"]
[3781,null,"6795-87-5",{"$nulls":7},""]
[3782,null,"6806-76-4",{"$nulls":7},""]
[3783,"CN(C(N)=N[N+]([O-])=O)[N+]([O-])=O","6810-09-9","CN(C(N)=N[N+](=O)[O-])[N+](=O)[O-]","CN(C(N)=N[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},163.03415364,"?"]
[3784,"CCC(C)NC(N)=S","6814-99-9","CCC(C)NC(N)=S","CCC(C)NC(N)=S",{"$nulls":4},132.072119384,"?"]
[3785,null,"6828-46-2",{"$nulls":7},""]
[3786,"CCCCOC(=O)C1=C(C=CC=C1N(=O)=O)C(O)=O","6828-47-3","CCCCOC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]","CCCCOC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",{"$nulls":4},267.0742871360003,"?"]
[3787,null,"6842-62-2",{"$nulls":7},""]
[3788,"C[CH]1CCCC[CH]1C","6876-23-9","CC1CCCCC1C","CC1C(CCCC1)C",{"$nulls":4},112.12520051199999,"?"]
[3789,"N[CH](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O","6893-02-3","NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)Oc2cc(c(cc2)O)I)I)C(=O)O",{"$nulls":4},650.7900518640004,"?"]
[3790,"N[CH](CCC(O)=O)C(O)=O","6893-26-1","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",{"$nulls":4},147.053157768,"?"]
[3791,null,"6898-95-9",{"$nulls":7},""]
[3792,"N[CH](CCC(O)=O)C(O)=O","6899-05-4","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",{"$nulls":4},147.053157768,"?"]
[3793,"ClC1=CC=C(OC2=CC=CC=C2Cl)C=C1","6903-65-7","Clc1ccc(Oc2ccccc2Cl)cc1","Clc1ccc(cc1)Oc2c(cccc2)Cl",{"$nulls":4},237.995220236,"?"]
[3794,"CC(=O)NC(NC(C)=O)C1=CC=CC=C1","6907-68-2","CC(=O)NC(NC(C)=O)c1ccccc1","CC(=O)NC(NC(C)=O)c1ccccc1",{"$nulls":4},206.105527688,"?"]
[3795,null,"6912-98-7",{"$nulls":7},""]
[3796,"OC(CC(O)=O)C(O)=O","6915-15-7","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O",{"$nulls":4},134.021523292,"?"]
[3797,"CNC(=O)C=C(C)OP(=O)(OC)OC","6923-22-4","CNC(=O)C=C(C)OP(=O)(OC)OC","CNC(=O)C=C(C)OP(=O)(OC)OC",{"$nulls":4},223.060959178,"?"]
[3798,null,"6936-40-9",{"$nulls":7},""]
[3799,"OC[CH](O)[CH](O)[CH](O)[CH](O)C=NNC(O)=N","6936-69-2","N=C(O)NN=CC(O)C(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)C(O)CO",{"$nulls":4},237.0960852,"?"]
[3800,"CCCCOC(=O)C1=CC=CN=C1","6938-06-3",null,null,"CCCCOC(=O)c1cccnc1",{"$nulls":3},636.8795355640002,"?"]
[3801,"CC(SC(C)C(N)=O)C(N)=O","6944-30-5","CC(SC(C)C(N)=O)C(N)=O","CC(SC(C)C(N)=O)C(N)=O",{"$nulls":4},176.061948624,"?"]
[3802,"OCCCOC(=O)C1=CC=CC=C1","6946-99-2","O=C(OCCCO)c1ccccc1","O=C(OCCCO)c1ccccc1",{"$nulls":4},180.078644244,"?"]
[3803,null,"6947-02-0",{"$nulls":7},""]
[3804,"CSC1=NC=NC2=C1N=CC=N2","6966-78-5","CSc1ncnc2nccnc12","CSc1c2c(ncn1)nccn2",{"$nulls":4},178.031317192,"?"]
[3805,"CNC(=O)OC1=C(C=CC=C1)C1OCCO1","6988-21-2","CNC(=O)Oc1ccccc1C1OCCO1","CNC(=O)Oc1c(cccc1)C2OCCO2",{"$nulls":4},223.084457896,"?"]
[3806,"CC[CH](C)[CH](N)C(O)=O","7004-09-3","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[3807,"CN(C)C(C)(C)CO","7005-47-2","CN(C)C(C)(C)CO","CN(C)C(C)(C)CO",{"$nulls":4},117.1153641,"?"]
[3808,"ClC1=CC=C(OC2=CC=CC=C2)C=C1","7005-72-3","Clc1ccc(Oc2ccccc2)cc1","Clc1ccc(cc1)Oc2ccccc2",{"$nulls":4},204.034192588,"?"]
[3809,"N[CH](CC(N)=O)C(O)=O","7006-34-0","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O",{"$nulls":4},132.053492116,"?"]
[3810,"ClC1=CC=C(C=C1)C1=C(Cl)C=C(Cl)C=C1","7012-37-5","Clc1ccc(-c2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(cc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[3811,null,"7029-96-1",{"$nulls":7},""]
[3812,"CCCCN(C)N=O","7068-83-9","CCCCN(C)N=O","CCCCN(C)N=O",{"$nulls":4},116.094963004,"?"]
[3813,"CC(C)C1=CC=CC=C1Br","7073-94-1","CC(C)c1ccccc1Br","CC(C)c1c(cccc1)Br",{"$nulls":4},198.004412452,"?"]
[3814,"CC(OC1=C(C)C=C(Cl)C=C1)C(O)=O","7085-19-0","Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",{"$nulls":4},214.039671892,"?"]
[3815,"CCCCP(=O)(CCCC)OCC","7100-92-7","CCCCP(=O)(CCCC)OCC","CCCCP(=O)(CCCC)OCC",{"$nulls":4},206.14356660599998,"?"]
[3816,"NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1","7146-68-1","Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)Cl",{"$nulls":4},267.0120772400003,"?"]
[3817,"CC1=CC(O)=C(C=C1Cl)[N+]([O-])=O","7147-89-9","Cc1cc(O)c([N+](=O)[O-])cc1Cl","Cc1c(cc(c(c1)O)[N+](=O)[O-])Cl",{"$nulls":4},187.003620732,"?"]
[3818,"COC1=NC(Cl)=CC(=C1)C(Cl)(Cl)Cl","7159-34-4","COc1cc(C(Cl)(Cl)Cl)cc(Cl)n1","COc1nc(cc(c1)C(Cl)(Cl)Cl)Cl",{"$nulls":4},258.9125245000001,"?"]
[3819,"CCOC1=CC=C(C=C1)N(C(C)=O)C(C)=O","7174-45-0","CCOc1ccc(N(C(C)=O)C(C)=O)cc1","CCOc1ccc(cc1)N(C(C)=O)C(C)=O",{"$nulls":4},221.10519334,"?"]
[3820,"O.O.O.O.O.O.O.O.O.O.O.O.[W]","7242-58-2","[W]","[W]","O","O","O","O",400.07770740800004,"?","O"]
[3821,"CCCCOP(=O)(OC)OCCCC","7242-59-3","CCCCOP(=O)(OC)OCCCC","CCCCOP(=O)(OC)OCCCC",{"$nulls":4},224.117745782,"?"]
[3822,"OC(=O)C1=C2C=CC=NC2=CC=C1","7250-53-5","O=C(O)c1cccc2ncccc12","O=C(O)c1c2c(ccc1)nccc2",{"$nulls":4},173.047678464,"?"]
[3823,null,"7251-85-6",{"$nulls":7},""]
[3824,"COC(=O)C1=CC(Cl)=CC(N)=C1Cl","7286-84-2","COC(=O)c1cc(Cl)cc(N)c1Cl","COC(=O)c1c(c(cc(c1)Cl)N)Cl",{"$nulls":4},218.985383824,"?"]
[3825,"CSC1=NC(NC(C)C)=NC(NC(C)C)=N1","7287-19-6","CSc1nc(NC(C)C)nc(NC(C)C)n1","CSc1nc(nc(n1)NC(C)C)NC(C)C",{"$nulls":4},241.13611660799998,"?"]
[3826,"CCCC(C)(C)C(=O)NC1=CC=C(Cl)C=C1","7287-36-7","CCCC(C)(C)C(=O)Nc1ccc(Cl)cc1","CCCC(C)(C)C(=O)Nc1ccc(cc1)Cl",{"$nulls":4},239.107691876,"?"]
[3827,null,"7288-32-6",{"$nulls":7},""]
[3828,"CCCOP(=O)(OCCC)OC1=CC=C(SC)C=C1","7292-16-2","CCCOP(=O)(OCCC)Oc1ccc(SC)cc1","CCCOP(=O)(OCCC)Oc1ccc(cc1)SC",{"$nulls":4},304.0898167820006,"?"]
[3829,"CCC(C)(O)C(C)(C)C","7294-05-5","CCC(C)(O)C(C)(C)C","CCC(C)(O)C(C)(C)C",{"$nulls":4},130.135765196,"?"]
[3830,"CN(C)C(=O)CCC(=O)N(C)C","7334-51-2","CN(C)C(=O)CCC(=O)N(C)C","CN(C)C(=O)CCC(=O)N(C)C",{"$nulls":4},172.121177752,"?"]
[3831,null,"7345-19-9",{"$nulls":7},""]
[3832,null,"7352-07-0",{"$nulls":7},""]
[3833,"OC(=O)CC[Se][Se]CCC(O)=O","7370-58-3","O=C(O)CC[Se][Se]CCC(=O)O","O=C(O)CC[Se][Se]CCC(=O)O",{"$nulls":4},305.89095140000023,"?"]
[3834,"CC(C)NC1=NC(=O)N=C(NC(C)C)N1","7374-53-0","CC(C)Nc1nc(=O)nc(NC(C)C)[nH]1","CC(C)Nc1[nH]c(nc(n1)=O)NC(C)C",{"$nulls":4},211.14331016399998,"?"]
[3835,"OCN1CC(=O)N(CO)CC1=O","7383-56-4","O=C1CN(CO)C(=O)CN1CO","O=C1N(CC(N(C1)CO)=O)CO",{"$nulls":4},174.0640568,"?"]
[3836,"CC(C)C1C(O)=NC(=O)N=C1O","7391-69-7","CC(C)C1C(O)=NC(=O)N=C1O","CC(C)C1C(=NC(N=C1O)=O)O",{"$nulls":4},170.06914218,"?"]
[3837,null,"7402-93-9",{"$nulls":7},""]
[3838,"OC1=C2N=CSC2=CC=C1","7405-23-4","Oc1cccc2scnc12","Oc1c2c(ccc1)scn2",{"$nulls":4},151.00918478,"?"]
[3839,"O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)N1CCOCC1","7412-25-1","O=P(Oc1ccccc1)(Oc1ccccc1)N1CCOCC1","O=P(Oc1ccccc1)(Oc2ccccc2)N3CCOCC3",{"$nulls":4},319.0973446860005,"?"]
[3840,"CN(N=O)C(C)=O","7417-67-6","CC(=O)N(C)N=O","CC(=O)N(C)N=O",{"$nulls":4},102.042927432,"?"]
[3841,"[H][C]12[C]3([H])C[CH](C=O)[C]4([H])[C]3([H])[C]3(Cl)[C]1(Cl)[C]2(Cl)[C]4(Cl)C3(Cl)Cl","7421-93-4","O=CC1CC2C3C1C1(Cl)C(Cl)(Cl)C3(Cl)C3(Cl)C2C13Cl","O=CC1C2C3C(C1)C4C5(C3(C(C2(C54Cl)Cl)(Cl)Cl)Cl)Cl",{"$nulls":4},377.87063095600007,"?"]
[3842,"O=S=O","7446-09-5","O=S=O","O=S=O",{"$nulls":4},63.961900240000006,"?"]
[3843,"CCNC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","7449-27-6","CCNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","CCNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},256.044383976,"?"]
[3844,"CC(=O)NC1=CC=CC(=C1)C(C)=O","7463-31-2","CC(=O)Nc1cccc(C(C)=O)c1","CC(=O)Nc1cc(ccc1)C(C)=O",{"$nulls":4},177.078978592,"?"]
[3845,"NC1=NC2=C(O)C=CC=C2S1","7471-03-6","Nc1nc2c(O)cccc2s1","Nc1sc2c(n1)c(O)ccc2",{"$nulls":4},166.020083812,"?"]
[3846,"CC1(CCOC1=O)C(O)=O","7473-09-8","CC1(C(=O)O)CCOC1=O","CC1(C(OCC1)=O)C(=O)O",{"$nulls":4},144.042258736,"?"]
[3847,null,"7475-29-8",{"$nulls":7},""]
[3848,"NC1=NC(=O)N(C=C1)[CH]1CC[CH](CO)O1","7481-89-2","Nc1ccn(C2CCC(CO)O2)c(=O)n1","Nc1nc(n(cc1)C2OC(CC2)CO)=O",{"$nulls":4},211.095691276,"?"]
[3849,"CC1=C2C=C(Cl)C=CC2=CC2=C1C=CC1=CC=CC=C21","7496-10-8","Cc1c2cc(Cl)ccc2cc2c1ccc1ccccc12","Cc1c2c(cc3c1cc(Cl)cc3)c4c(cc2)cccc4",{"$nulls":4},276.07057809600036,"?"]
[3850,"COC1(C)COC(C)(CO1)OC","7504-90-7","COC1(C)COC(C)(OC)CO1","COC1(OCC(OC1)(C)OC)C",{"$nulls":4},176.104858992,"?"]
[3851,"COC1=C(OCC(O)=O)C=CC(C=CC)=C1","7510-46-5","CC=Cc1ccc(OCC(=O)O)c(OC)c1","CC=Cc1cc(c(cc1)OCC(=O)O)OC",{"$nulls":4},222.089208928,"?"]
[3852,null,"7517-39-7",{"$nulls":7},""]
[3853,"OC1=NCCCCCCCCCCCC1","7518-64-1","OC1=NCCCCCCCCCCCC1","OC=1CCCCCCCCCCCCN1",{"$nulls":4},211.19361442,"?"]
[3854,"OCC1=CC(Cl)=C(Cl)C(Cl)=C1","7520-67-4","OCc1cc(Cl)c(Cl)c(Cl)c1","OCc1cc(c(c(c1)Cl)Cl)Cl",{"$nulls":4},209.94059782,"?"]
[3855,"OS(=O)(=O)C1=CC2=C(C(=O)C1=NNC1=CC=CC=C1)C(=O)C(=NNC1=CC=CC=C1)C(=C2)S(O)(=O)=O","7525-08-8","O=c1c(=NNc2ccccc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(=NNc3ccccc3)c(=O)c1=2","O=c1c2=c(cc(c1=NNc3ccccc3)S(=O)(=O)O)cc(S(=O)(=O)O)c(=NNc4ccccc4)c2=O",{"$nulls":4},528.0409554720003,"?"]
[3856,"II","7553-56-2","II","II",{"$nulls":4},253.808946,"?"]
[3857,"OC1=CC=CC2=CN=CN=C12","7557-02-0","Oc1cccc2cncnc12","Oc1c2c(ccc1)cncn2",{"$nulls":4},146.048012812,"?"]
[3858,"[Na+].OP(O)([O-])=O","7558-80-7","O=P([O-])(O)O","O=P(O)(O)O","[Na+]",{"$nulls":3},119.95883945400001,"Structure has been neutralized"]
[3859,"CCCCSS(=O)CCCC","7559-55-9","CCCCSS(=O)CCCC","CCCCSS(=O)CCCC",{"$nulls":4},194.079907196,"?"]
[3860,"NCC(O)C1=CC=CC=C1","7568-93-6","NCC(O)c1ccccc1","NCC(O)c1ccccc1",{"$nulls":4},137.084063972,"?"]
[3861,"CC(Cl)C(C)Cl","7581-97-7","CC(Cl)C(C)Cl","CC(Cl)C(C)Cl",{"$nulls":4},126.00030561599999,"?"]
[3862,"ON(C(=O)C1=CC=CO1)C1=CC=CC=C1","7630-14-0","O=C(c1ccco1)N(O)c1ccccc1","O=C(c1occc1)N(O)c2ccccc2",{"$nulls":4},203.058243148,"?"]
[3863,"F","7664-39-3","F","F",{"$nulls":4},20.006228252,"?"]
[3864,"OS(O)(=O)=O","7664-93-9","O=S(=O)(O)O","O=S(=O)(O)O",{"$nulls":4},97.96737954400001,"?"]
[3865,null,"7668-23-7",{"$nulls":7},""]
[3866,"NC1=NS(=O)(=O)C2=CC=CC=C12","7668-28-2","NC1=NS(=O)(=O)c2ccccc21","NC=1c2c(S(N1)(=O)=O)cccc2",{"$nulls":4},182.014998432,"?"]
[3867,"CCCOC(=O)C1=CN=CC=C1","7681-15-4",null,null,"CCCOC(=O)c1cnccc1",{"$nulls":3},622.8638855000003,"?"]
[3868,"CN1C(COC(N)=O)=NC=C1[N+]([O-])=O","7681-76-7","Cn1c([N+](=O)[O-])cnc1COC(N)=O","Cn1c(ncc1[N+](=O)[O-])COC(N)=O",{"$nulls":4},200.054554736,"?"]
[3869,"[H][C]12C[CH](O)C[C]3(O)C[CH](O)[CH](C(O)=O)[C]([H])(C[CH](O[C]4(C)O[CH](C)[CH](O)[CH](N)[CH]4O)C=CC=CC=CC=CC[CH](C)OC(=O)C=C[CH]1O2)O3","7681-93-8","CC1CC=CC=CC=CC=CC(OC2(C)OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)O","CC1OC(C=CC2C(CC(CC3(OC(CC(C=CC=CC=CC=CC1)OC4(C(C(C(C(O4)C)O)N)O)C)C(C(C3)O)C(=O)O)O)O)O2)=O",{"$nulls":4},679.3203906280014,"?"]
[3870,null,"7682-16-8",{"$nulls":7},""]
[3871,"CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C","7696-12-0","CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C","CC(C)=CC1C(C1C(=O)OCN2C(C3=C(C2=O)CCCC3)=O)(C)C",{"$nulls":4},331.1783582800007,"?"]
[3872,"COP(=O)(OC)OC(C)=CC(=O)OC(C)C1=CC=CC=C1","7700-17-6","COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1","COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1",{"$nulls":4},314.09192495800056,"?"]
[3873,"OC(=O)C1=C(Cl)C=CC2=CC=CC=C12","7720-42-5","O=C(O)c1c(Cl)ccc2ccccc12","O=C(O)c1c2c(ccc1Cl)cccc2",{"$nulls":4},206.013457144,"?"]
[3874,"OO","7722-84-1","OO","OO",{"$nulls":4},34.005479304,"?"]
[3875,"[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])([O-])=O","7722-88-5","O=P([O-])([O-])OP(=O)([O-])[O-]","O=P(O)(O)OP(=O)(O)O","[Na+]","[Na+]","[Na+]","[Na+]",265.87100272000004,"Structure has been neutralized"]
[3876,"BrBr","7726-95-6","BrBr","BrBr",{"$nulls":4},157.8366742,"?"]
[3877,"N#N","7727-37-9","N#N","[N-]=[NH2+]",{"$nulls":4},28.006148,"Structure has been neutralized"]
[3878,"[K+].[O-][I](=O)=O","7758-05-6","[O-][I+2]([O-])[O-]","[O-][I+2]([O-])[O-]","[K+]",{"$nulls":3},213.85292354,"Errors in neutralization"]
[3879,"O.O.O.O.O.[Cu++].[O-]S([O-])(=O)=O","7758-99-8","O=S(=O)([O-])[O-]","O=S(=O)(O)O","[Cu+2]","O","O","O",248.9341504,"Structure has been neutralized","O"]
[3880,"CC1CCC(CC1=O)C(C)=C","7764-50-3","C=C(C)C1CCC(C)C(=O)C1","C=C(C)C1CC(C(CC1)C)=O",{"$nulls":4},152.120115132,"?"]
[3881,"O[As](O)(O)=O","7778-39-4","O=[As](O)(O)O","O=[As](O)(O)O",{"$nulls":4},141.924730076,"?"]
[3882,"O=O","7782-44-7","O=O","O=O",{"$nulls":4},31.98982924,"?"]
[3883,"ClCl","7782-50-5","ClCl","ClCl",{"$nulls":4},69.93770536,"?"]
[3884,"S","7783-06-4","S","S",{"$nulls":4},33.987721064,"?"]
[3885,"COC(=O)C=C(C)OP(=O)(OC)OC","7786-34-7","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",{"$nulls":4},224.044974766,"?"]
[3886,"CCC(Cl)(Cl)Cl","7789-89-1","CCC(Cl)(Cl)Cl","CCC(Cl)(Cl)Cl",{"$nulls":4},145.9456832,"?"]
[3887,null,"8000-41-7",{"$nulls":7},""]
[3888,null,"8000-97-3",{"$nulls":7},""]
[3889,null,"8048-52-0",{"$nulls":7},""]
[3890,null,"8065-36-9",{"$nulls":7},""]
[3891,null,"9004-57-3",{"$nulls":7},""]
[3892,"CC1=CC(=O)NO1","10004-44-1","Cc1cc(=O)[nH]o1","Cc1o[nH]c(c1)=O",{"$nulls":4},99.0320284,"?"]
[3893,"CCCCCCCCOCCO","10020-43-6","CCCCCCCCOCCO","CCCCCCCCOCCO",{"$nulls":4},174.161979944,"?"]
[3894,"CC(C)[CH](O)C#N","10021-64-4","CC(C)C(O)C#N","CC(C)C(O)C#N",{"$nulls":4},99.068413908,"?"]
[3895,"CCC(=O)OCCCCCOC(=O)CC","10025-09-9","CCC(=O)OCCCCCOC(=O)CC","CCC(=O)OCCCCCOC(=O)CC",{"$nulls":4},216.13615912,"?"]
[3896,"CCC(CC)COC(C)=O","10031-87-5","CCC(CC)COC(C)=O","CCC(CC)COC(C)=O",{"$nulls":4},144.115029752,"?"]
[3897,null,"10054-21-4",{"$nulls":7},""]
[3898,"ClCC=CCl","10061-01-5","ClC=CCCl","ClC=CCCl",{"$nulls":4},109.969005488,"?"]
[3899,"ClCC=CCl","10061-02-6","ClC=CCCl","ClC=CCCl",{"$nulls":4},109.969005488,"?"]
[3900,"CC(C)C1=CC=C(CCO)C=C1","10099-57-7","CC(C)c1ccc(CCO)cc1","CC(C)c1ccc(cc1)CCO",{"$nulls":4},164.120115132,"?"]
[3901,"CCC(C)N1C(=O)C2=CC=CC=C2C1=O","10108-61-9","CCC(C)N1C(=O)c2ccccc2C1=O","CCC(C)N1C(c2c(C1=O)cccc2)=O",{"$nulls":4},203.094628656,"?"]
[3902,"CN(C)[CH]1[CH]2C[CH]3CC4=C(C(O)=CC=C4N(C)C)C(=O)C3=C(O)[C]2(O)C(=O)C(C(N)=O)=C1O","10118-90-8","CN(C)c1ccc(O)c2c1CC1CC3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C1C2=O","CN(C)c1c2c(c(cc1)O)C(C=3C(C2)CC4C(C(C(=C(C4N(C)C)O)C(N)=O)=O)(O)C3O)=O",{"$nulls":4},457.18490020400066,"?"]
[3903,"CCCN(CCC)C(=O)CCC(=O)OCC","10143-31-4","CCCN(CCC)C(=O)CCC(=O)OCC","CCCN(CCC)C(=O)CCC(=O)OCC",{"$nulls":4},229.167793596,"?"]
[3904,"CC1CC1(C(O)=O)C(O)=O","10180-00-4","CC1CC1(C(=O)O)C(=O)O","CC1C(C1)(C(=O)O)C(=O)O",{"$nulls":4},144.042258736,"?"]
[3905,"OC(=O)CC(C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1","10186-26-2","O=C(O)CC(C(=O)O)(c1ccccc1)c1ccccc1","O=C(O)CC(C(=O)O)(c1ccccc1)c2ccccc2",{"$nulls":4},270.0892089280004,"?"]
[3906,"NC(=O)C(Br)(Br)C#N","10222-01-2","N#CC(Br)(Br)C(N)=O","N#CC(Br)(Br)C(N)=O",{"$nulls":4},239.853386884,"?"]
[3907,"COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1","10238-21-8","COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3",{"$nulls":4},493.14381967600076,"?"]
[3908,"COP(N)(=O)SC","10265-92-6","COP(N)(=O)SC","COP(N)(=O)SC",{"$nulls":4},141.001336126,"?"]
[3909,"CC(C)(O)C(=O)OCCC1=CC=CC=C1","10290-01-4","CC(C)(O)C(=O)OCCc1ccccc1","CC(C)(O)C(=O)OCCc1ccccc1",{"$nulls":4},208.109944372,"?"]
[3910,"CCOP(=S)(OCC)SC(CCl)N1C(=O)C2=C(C=CC=C2)C1=O","10311-84-9","CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O","CCOP(=S)(OCC)SC(CCl)N1C(c2c(C1=O)cccc2)=O",{"$nulls":4},393.0025143340004,"?"]
[3911,"CC(C)CN1CCOCC1","10315-98-7","CC(C)CN1CCOCC1","CC(C)CN1CCOCC1",{"$nulls":4},143.131014164,"?"]
[3912,"CC(O)=N[CH](CC1=CC(Br)=C(O)C(Br)=C1)C(O)=O","10346-50-6","CC(O)=NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)O","CC(O)=NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O",{"$nulls":4},378.90548203200024,"?"]
[3913,null,"10349-01-6",{"$nulls":7},""]
[3914,"OC(=O)C1=CC=C2N=CC=CC2=C1","10349-57-2","O=C(O)c1ccc2ncccc2c1","O=C(O)c1cc2c(cc1)nccc2",{"$nulls":4},173.047678464,"?"]
[3915,"OC(=NC1CCCCC1)C1=CN=CC=C1","10354-56-0","OC(=NC1CCCCC1)c1cccnc1","OC(=NC1CCCCC1)c2cnccc2",{"$nulls":4},204.126263132,"?"]
[3916,null,"10373-81-6",{"$nulls":7},""]
[3917,"NC1=C(Br)C=CC(=C1)[N+]([O-])=O","10403-47-1","Nc1cc([N+](=O)[O-])ccc1Br","Nc1c(ccc(c1)[N+](=O)[O-])Br",{"$nulls":4},215.9534395,"?"]
[3918,null,"10408-17-0",{"$nulls":7},""]
[3919,"CCCCCCCCOCC(O)CO","10438-94-5","CCCCCCCCOCC(O)CO","CCCCCCCCOCC(O)CO",{"$nulls":4},204.172544628,"?"]
[3920,"CCOC(=O)CCCOC1=C(C)C=C(Cl)C=C1","10443-70-6","CCOC(=O)CCCOc1ccc(Cl)cc1C","CCOC(=O)CCCOc1c(cc(cc1)Cl)C",{"$nulls":4},256.086622084,"?"]
[3921,"CC(C)=CC1C(C(=O)OCC2=COC(CC3=CC=CC=C3)=C2)C1(C)C","10453-86-8","CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C",{"$nulls":4},338.1881946920007,"?"]
[3922,"OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Br)C=C1","10457-90-6","O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Br)c3ccc(cc3)F",{"$nulls":4},419.0896192960007,"?"]
[3923,"CC1=C(Cl)C(Cl)=C(Cl)C(O)=C1Cl","10460-33-0","Cc1c(Cl)c(O)c(Cl)c(Cl)c1Cl","Cc1c(c(c(c(c1Cl)O)Cl)Cl)Cl",{"$nulls":4},243.901625468,"?"]
[3924,"CCOP(=O)(OC)OC","10463-05-5","CCOP(=O)(OC)OC","CCOP(=O)(OC)OC",{"$nulls":4},154.039495462,"?"]
[3925,"CC(=C)C(C)(C)O","10473-13-9","C=C(C)C(C)(C)O","C=C(C)C(C)(C)O",{"$nulls":4},100.088815004,"?"]
[3926,"CCOP(=S)(OCC)SCS(=O)C(C)(C)C","10548-10-4","CCOP(=S)(OCC)SCS(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)C(C)(C)C",{"$nulls":4},304.03904416200055,"?"]
[3927,"CC(C)OC(=O)C1=CC(=CC(=C1)C(=O)OC(C)C)[N+]([O-])=O","10552-74-6","CC(C)OC(=O)c1cc(C(=O)OC(C)C)cc([N+](=O)[O-])c1","CC(C)OC(=O)c1cc(cc(c1)C(=O)OC(C)C)[N+](=O)[O-]",{"$nulls":4},295.10558726400046,"?"]
[3928,null,"10571-73-0",{"$nulls":7},""]
[3929,"CCN(C)N=O","10595-95-6","CCN(C)N=O","CCN(C)N=O",{"$nulls":4},88.063662876,"?"]
[3930,"SC(=O)CCCCC(S)=O","10604-70-3","O=C(S)CCCCC(=O)S","O=C(S)CCCCC(=O)S",{"$nulls":4},178.01222156,"?"]
[3931,null,"11039-70-6",{"$nulls":7},""]
[3932,null,"11096-82-5",{"$nulls":7},""]
[3933,null,"11097-69-1",{"$nulls":7},""]
[3934,null,"11104-28-2",{"$nulls":7},""]
[3935,null,"11141-16-5",{"$nulls":7},""]
[3936,"COC(=O)[C]1(O)OC[C]23[CH]4[CH](OC[C]4([CH](C[CH]2OC(=O)C(C)=CC)OC(C)=O)C(=O)OC)[CH](O)[C](C)([CH]13)[C]12O[C]1(C)[CH]1C[CH]2O[CH]2OC=C[C]12O","11141-17-6","CC=C(C)C(=O)OC1CC(OC(C)=O)C2(C(=O)OC)COC3C2C12COC(O)(C(=O)OC)C2C(C)(C12OC1(C)C1CC2OC2OC=CC21O)C3O","CC=C(C)C(=O)OC1C23C4C(C(C1)OC(C)=O)(C(=O)OC)COC4C(C(C2C(OC3)(O)C(=O)OC)(C)C56C(O5)(C)C7C8(C(OC6C7)OC=C8)O)O",{"$nulls":4},720.2629353280012,"?"]
[3937,null,"11672-87-0",{"$nulls":7},""]
[3938,null,"12002-48-1",{"$nulls":7},""]
[3939,"[Mn+].[C-]#[O+].[C-]#[O+].[C-]#[O+].CC1C=C[C-]=C1","12108-13-3","CC1C=[C-]C=C1","CC1C=[C-]C=C1","[Mn+]","[C-]#[O+]","[C-]#[O+]","[C-]#[O+]",217.977564184,"Errors in neutralization"]
[3940,"CCOC1=C(C=C(NC(C)=O)C(=C1)N=NC1=C(C=C(C=C1Br)[N+]([O-])=O)[N+]([O-])=O)N(CCOC(C)=O)CCOC(C)=O","12239-34-8","CCOc1cc(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1N(CCOC(C)=O)CCOC(C)=O","CCOc1c(cc(c(c1)N=Nc2c(cc(cc2Br)[N+](=O)[O-])[N+](=O)[O-])NC(C)=O)N(CCOC(C)=O)CCOC(C)=O",{"$nulls":4},638.0972031640008,"?"]
[3941,null,"12407-86-2",{"$nulls":7},""]
[3942,null,"12672-29-6",{"$nulls":7},""]
[3943,null,"12674-11-2",{"$nulls":7},""]
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[4034,"COC(=O)C(Cl)CC1=CC=C(Cl)C=C1","14437-17-3","COC(=O)C(Cl)Cc1ccc(Cl)cc1","COC(=O)C(Cl)Cc1ccc(cc1)Cl",{"$nulls":4},232.00578492,"?"]
[4035,"CC1=C(Br)C=CC(O)=C1","14472-14-1","Cc1cc(O)ccc1Br","Cc1c(ccc(c1)O)Br",{"$nulls":4},185.968026944,"?"]
[4036,"OS(=O)(=O)C1=CC2=C(C=C1)C(=O)C1=C(C=CC=C1S(O)(=O)=O)C2=O","14486-58-9","O=C1c2cc(S(=O)(=O)O)ccc2C(=O)c2c1cccc2S(=O)(=O)O","O=C1c2c(C(c3c1cc(S(=O)(=O)O)cc3)=O)c(ccc2)S(=O)(=O)O",{"$nulls":4},367.96605921600013,"?"]
[4037,"CC1=C(OC2=CC=CN=N2)C=CC=C1","14491-59-9","Cc1ccccc1Oc1cccnn1","Cc1c(cccc1)Oc2nnccc2",{"$nulls":4},186.07931294,"?"]
[4038,"CN1C(=O)NN(C1=O)C1=CC=CC=C1","14500-23-3","Cn1c(=O)[nH]n(-c2ccccc2)c1=O","Cn1c(n([nH]c1=O)-c2ccccc2)=O",{"$nulls":4},191.069476528,"?"]
[4039,"NC(=O)C1=CC=CC=C1OCC=C","14520-53-7","C=CCOc1ccccc1C(N)=O","C=CCOc1c(cccc1)C(N)=O",{"$nulls":4},177.078978592,"?"]
[4040,"CCCCC=CC","14686-13-6","CC=CCCCC","CC=CCCCC",{"$nulls":4},98.109550448,"?"]
[4041,"CCN1C=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12","14698-29-4","CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3","CCn1c2c(c(c(c1)C(=O)O)=O)cc3OCOc3c2",{"$nulls":4},261.06372245200015,"?"]
[4042,null,"14746-25-9",{"$nulls":7},""]
[4043,null,"14771-77-8",{"$nulls":7},""]
[4044,"CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1","14816-18-3","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1",{"$nulls":4},298.0540999700004,"?"]
[4045,"CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1Cl","14816-20-7","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1Cl","CCOP(=S)(OCC)ON=C(C#N)c1c(cccc1)Cl",{"$nulls":4},332.01512761800035,"?"]
[4046,null,"14862-80-7",{"$nulls":7},""]
[4047,"CC(=O)C=CC1=C(C)CCCC1(C)C","14901-07-6","CC(=O)C=CC1=C(C)CCCC1(C)C","CC(=O)C=CC=1C(CCCC1C)(C)C",{"$nulls":4},192.15141526,"?"]
[4048,"CCCC(C)C(O)CC","14979-39-6","CCCC(C)C(O)CC","CCCC(C)C(O)CC",{"$nulls":4},130.135765196,"?"]
[4049,"O=C(CC#N)N1CCCCC1","15029-30-8","N#CCC(=O)N1CCCCC1","N#CCC(=O)N1CCCCC1",{"$nulls":4},152.094963004,"?"]
[4050,null,"15031-07-9",{"$nulls":7},""]
[4051,"OC1=C(C=CC=C1)S(=O)(=O)C1=C(O)C=CC=C1","15038-67-2","O=S(=O)(c1ccccc1O)c1ccccc1O","O=S(=O)(c1c(cccc1)O)c2c(cccc2)O",{"$nulls":4},250.0299798,"?"]
[4052,"OC(=O)C(CC1=CC=CC=C1)NCCC#N","15095-74-6","N#CCCNC(Cc1ccccc1)C(=O)O","N#CCCNC(Cc1ccccc1)C(=O)O",{"$nulls":4},218.105527688,"?"]
[4053,"ClC(Cl)C(Cl)C(Cl)Cl","15104-61-7","ClC(Cl)C(Cl)C(Cl)Cl","ClC(Cl)C(Cl)C(Cl)Cl",{"$nulls":4},213.867738496,"?"]
[4054,"N[CH](CC1=CC(Cl)=C(O)C(Cl)=C1)C(O)=O","15106-62-4","NC(Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O",{"$nulls":4},248.995948508,"?"]
[4055,"OC(=O)CC(O)(CC(O)=O)C(O)=NC1=CC=CC=C1","15119-64-9","O=C(O)CC(O)(CC(=O)O)C(O)=Nc1ccccc1","O=C(O)CC(O)(CC(=O)O)C(O)=Nc1ccccc1",{"$nulls":4},267.0742871360003,"?"]
[4056,"COC(=O)C1=CC(I)=C(O)C=C1","15126-06-4","COC(=O)c1ccc(O)c(I)c1","COC(=O)c1cc(c(cc1)O)I",{"$nulls":4},277.94399208400023,"?"]
[4057,"CCOC(=O)C1=CC(I)=C(O)C=C1","15126-07-5","CCOC(=O)c1ccc(O)c(I)c1","CCOC(=O)c1cc(c(cc1)O)I",{"$nulls":4},291.9596421480002,"?"]
[4058,null,"15126-08-6",{"$nulls":7},""]
[4059,"CCCCOC(=O)C1=CC(I)=C(O)C=C1","15126-09-7","CCCCOC(=O)c1ccc(O)c(I)c1","CCCCOC(=O)c1cc(c(cc1)O)I",{"$nulls":4},319.99094227600034,"?"]
[4060,"C[CH](OC1=C(Cl)C=C(Cl)C=C1)C(O)=O","15165-67-0","CC(Oc1ccc(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O",{"$nulls":4},233.985049476,"?"]
[4061,"OCC1=C(Cl)C=CC=C1Cl","15258-73-8","OCc1c(Cl)cccc1Cl","OCc1c(cccc1Cl)Cl",{"$nulls":4},175.979570172,"?"]
[4062,"CNC(=O)ON=C1[CH](Cl)[CH]2C[CH](C#N)[CH]1C2","15271-41-7","CNC(=O)ON=C1C(Cl)C2CC(C#N)C1C2","CNC(=O)ON=C1C2C(CC(C1Cl)C2)C#N",{"$nulls":4},241.061804304,"?"]
[4063,"CCN(CC)C(=O)C(C)OC1=C2C=CC=CC2=CC=C1","15299-99-7","CCN(CC)C(=O)C(C)Oc1cccc2ccccc12","CCN(CC)C(=O)C(C)Oc1c2c(ccc1)cccc2",{"$nulls":4},271.15722891200045,"?"]
[4064,"CC1=C(OC2=C(C=CC=C2C1=O)C(=O)OCCN1CCCCC1)C1=CC=CC=C1","15301-69-6","Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O","Cc1c(c2c(oc1-c3ccccc3)c(C(=O)OCCN4CCCCC4)ccc2)=O",{"$nulls":4},391.1783582800007,"?"]
[4065,"OC(=O)CC1=C(NC2=C(Cl)C=CC=C2Cl)C=CC=C1","15307-86-5","O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl","O=C(O)Cc1c(cccc1)Nc2c(cccc2Cl)Cl",{"$nulls":4},295.01668395200034,"?"]
[4066,"IC1=C(C=CC=C1)C(=O)NC1=CC=CC=C1","15310-01-7","O=C(Nc1ccccc1)c1ccccc1I","O=C(Nc1ccccc1)c2c(cccc2)I",{"$nulls":4},322.9807119400003,"?"]
[4067,null,"15322-68-6",{"$nulls":7},""]
[4068,null,"15341-08-9",{"$nulls":7},""]
[4069,null,"15397-07-6",{"$nulls":7},""]
[4070,"CC1=NC(C)=C(C=C1C(=O)NN)C(=O)NN","15420-54-9","Cc1nc(C)c(C(=O)NN)cc1C(=O)NN","Cc1c(cc(c(n1)C)C(=O)NN)C(=O)NN",{"$nulls":4},223.106924656,"?"]
[4071,null,"15446-25-0",{"$nulls":7},""]
[4072,"[O-][N+](=O)C1=CC=C(OC2=C(C=C(C=C2)C(F)(F)F)[N+]([O-])=O)C=C1","15457-05-3","O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},328.0307059840002,"?"]
[4073,"CN(C)C(=O)NC1=CC(Cl)=C(C)C=C1","15545-48-9","Cc1ccc(NC(=O)N(C)C)cc1Cl","Cc1c(cc(cc1)NC(=O)N(C)C)Cl",{"$nulls":4},212.071640716,"?"]
[4074,"CNS#CNCO","15599-39-0","CNS#CNCO","CNS#CNCO",{"$nulls":4},120.035733876,"?"]
[4075,"CC(OC(C)=O)C#N","15657-96-2","CC(=O)OC(C)C#N","CC(=O)OC(C)C#N",{"$nulls":4},113.047678464,"?"]
[4076,"N[Pt](N)(Cl)Cl","15663-27-1","N[Pt](N)(Cl)Cl","N[Pt](N)(Cl)Cl",{"$nulls":4},296.9399445880001,"Errors in neutralization"]
[4077,"CC(C)CC1=CC=C(C=C1)C(C)C(O)=O","15687-27-1","CC(C)Cc1ccc(C(C)C(=O)O)cc1","CC(C)Cc1ccc(cc1)C(C)C(=O)O",{"$nulls":4},206.130679816,"?"]
[4078,"OC1=C(O)N=C2C=CC=CC2=N1","15804-19-0","Oc1nc2ccccc2nc1O","Oc1c(nc2c(n1)cccc2)O",{"$nulls":4},162.042927432,"?"]
[4079,"ClC1=CC(Cl)=C(C=C1Cl)C1=CC=CC=C1","15862-07-4","Clc1cc(Cl)c(-c2ccccc2)cc1Cl","Clc1c(cc(c(c1)Cl)-c2ccccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4080,"CCCCC(C)(C)CCC","15869-95-1","CCCCC(C)(C)CCC","CCCCC(C)(C)CCC",{"$nulls":4},142.172150704,"?"]
[4081,"OC[CH](O)[CH]1O[CH]2O[CH](O[CH]2[CH]1O)C(Cl)(Cl)Cl","15879-93-3","OCC(O)C1OC2OC(C(Cl)(Cl)Cl)OC2C1O","OCC(O)C1C(C2C(O1)OC(C(Cl)(Cl)Cl)O2)O",{"$nulls":4},307.9621211120003,"?"]
[4082,"CCC(C)O","15892-23-6","CCC(C)O","CCC(C)O",{"$nulls":4},74.07316494,"?"]
[4083,null,"15909-67-8",{"$nulls":7},""]
[4084,"ClC1=CC=CC(Cl)=C1C1=C(Cl)C=CC=C1Cl","15968-05-5","Clc1cccc(Cl)c1-c1c(Cl)cccc1Cl","Clc1c(c(ccc1)Cl)-c2c(cccc2Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4085,"CCC1=CC=CC(CC)=C1N(COC)C(=O)CCl","15972-60-8","CCc1cccc(CC)c1N(COC)C(=O)CCl","CCc1c(c(ccc1)CC)N(COC)C(=O)CCl",{"$nulls":4},269.11825656000036,"?"]
[4086,null,"15996-17-5",{"$nulls":7},""]
[4087,"OC(=O)CSSSSCC(O)=O","16002-32-7","O=C(O)CSSSSCC(=O)O","O=C(O)CSSSSCC(=O)O",{"$nulls":4},245.914892672,"?"]
[4088,"CCCCOCCOC(N)=O","16006-08-9","CCCCOCCOC(N)=O","CCCCOCCOC(N)=O",{"$nulls":4},161.10519334,"?"]
[4089,"OCC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","16022-69-8","OCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","OCc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},277.86265311600005,"?"]
[4090,"CC(CN(C(C)=O)C1=C(I)C=C(I)C(N)=C1I)C(O)=O","16034-77-8","CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I","CC(=O)N(CC(C)C(=O)O)c1c(c(c(cc1I)I)N)I",{"$nulls":4},613.8060362760004,"?"]
[4091,null,"16039-53-5",{"$nulls":7},""]
[4092,"OC(=O)CC(Cl)C(O)=O","16045-92-4","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O",{"$nulls":4},151.98763632,"?"]
[4093,"CCNC(=O)C(C)OC(=O)NC1=CC=CC=C1","16118-49-3","CCNC(=O)C(C)OC(=O)Nc1ccccc1","CCNC(=O)C(C)OC(=O)Nc1ccccc1",{"$nulls":4},236.116092372,"?"]
[4094,"CCCCCCP(=O)(OCC)OCC","16165-66-5","CCCCCCP(=O)(OCC)OCC","CCCCCCP(=O)(OCC)OCC",{"$nulls":4},222.13848122599998,"?"]
[4095,"OC1=CC2=CC=CC=C2C=C1C1=NCCN1","16173-26-5","Oc1cc2ccccc2cc1C1=NCCN1","Oc1c(cc2c(c1)cccc2)C=3NCCN3",{"$nulls":4},212.094963004,"?"]
[4096,"CC1=CC(I)=C(O)C=C1","16188-57-1","Cc1ccc(O)c(I)c1","Cc1cc(c(cc1)O)I",{"$nulls":4},233.954162844,"?"]
[4097,"CC(=O)OC1=CC=CC=C1C=CC(O)=O","16189-10-9","CC(=O)Oc1ccccc1C=CC(=O)O","CC(=O)Oc1c(cccc1)C=CC(=O)O",{"$nulls":4},206.0579088,"?"]
[4098,"CC=C1CC2CC1C=C2","16219-75-3","CC=C1CC2C=CC1C2","CC=C1C2C=CC(C1)C2",{"$nulls":4},120.093900384,"?"]
[4099,null,"16268-25-0",{"$nulls":7},""]
[4100,"CCOC(=O)C1=CC(Cl)=C(O)C=C1","16357-41-8","CCOC(=O)c1ccc(O)c(Cl)c1","CCOC(=O)c1cc(c(cc1)O)Cl",{"$nulls":4},200.024021828,"?"]
[4101,"CC(C)C[CH](N)C(O)=N[CH](CCC(O)=O)C(O)=O","16364-31-1","CC(C)CC(N)C(O)=NC(CCC(=O)O)C(=O)O","CC(C)CC(N)C(O)=NC(CCC(=O)O)C(=O)O",{"$nulls":4},260.13722174000014,"?"]
[4102,"CCCC(=O)N(C)N=O","16395-81-6","CCCC(=O)N(C)N=O","CCCC(=O)N(C)N=O",{"$nulls":4},130.07422756,"?"]
[4103,"C[CH](OC1=C(C)C=C(Cl)C=C1)C(O)=O","16484-77-8","Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",{"$nulls":4},214.039671892,"?"]
[4104,"NC(=O)C(Cl)=C","16490-68-9","C=C(Cl)C(N)=O","C=C(Cl)C(N)=O",{"$nulls":4},104.998141428,"?"]
[4105,"C=COC1CC1","16545-67-8","C=COC1CC1","C=COC1CC1",{"$nulls":4},84.057514876,"?"]
[4106,"ClC1=CC=CC(=C1Cl)C1=CC=CC=C1","16605-91-7","Clc1cccc(-c2ccccc2)c1Cl","Clc1c(c(ccc1)-c2ccccc2)Cl",{"$nulls":4},222.000305616,"?"]
[4107,"ClC1=CC=C(C=C1)C1=C(Cl)C=CC(Cl)=C1","16606-02-3","Clc1ccc(-c2cc(Cl)ccc2Cl)cc1","Clc1ccc(cc1)-c2c(ccc(c2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4108,"CC(C(CC=C)C(O)=O)C(O)=O","16631-06-4","C=CCC(C(=O)O)C(C)C(=O)O","C=CCC(C(=O)O)C(C)C(=O)O",{"$nulls":4},172.073558864,"?"]
[4109,"OP(O)(=O)CCCl","16672-87-0","O=P(O)(O)CCCl","O=P(O)(O)CCCl",{"$nulls":4},143.974308362,"?"]
[4110,"CC1(CCN2CCCCC2)N=C(O)N=C1O","16705-27-4","CC1(CCN2CCCCC2)N=C(O)N=C1O","CC1(C(=NC(=N1)O)O)CCN2CCCCC2",{"$nulls":4},225.147726848,"?"]
[4111,null,"16713-80-7",{"$nulls":7},""]
[4112,null,"16718-61-9",{"$nulls":7},""]
[4113,"NNC(=O)C1=NC=CS1","16733-90-7","NNC(=O)c1nccs1","NNC(=O)c1sccn1",{"$nulls":4},143.01533278,"?"]
[4114,null,"16752-77-5",{"$nulls":7},""]
[4115,"COC1=CC(Cl)=C(Cl)C(Cl)=C1OC","16766-29-3","COc1cc(Cl)c(Cl)c(Cl)c1OC","COc1c(c(c(c(c1)Cl)Cl)Cl)OC",{"$nulls":4},239.951162504,"?"]
[4116,"COC1=C(O)C=CC(Cl)=C1","16766-30-6","COc1cc(Cl)ccc1O","COc1c(ccc(c1)Cl)O",{"$nulls":4},158.013457144,"?"]
[4117,null,"16805-99-5",{"$nulls":7},""]
[4118,null,"16806-00-1",{"$nulls":7},""]
[4119,"NC1=CC=C(C=C1)S(=O)(=O)NC1=NN=CS1","16806-29-4","Nc1ccc(S(=O)(=O)Nc2nncs2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2scnn2",{"$nulls":4},256.008867496,"?"]
[4120,null,"16807-50-4",{"$nulls":7},""]
[4121,"CCC(C(C(O)=O)C1=CC=CC=C1)C(O)=O","16827-45-5","CCC(C(=O)O)C(C(=O)O)c1ccccc1","CCC(C(=O)O)C(C(=O)O)c1ccccc1",{"$nulls":4},222.089208928,"?"]
[4122,null,"16840-28-1",{"$nulls":7},""]
[4123,"ON(C(=O)C1=C(Cl)C=C(Cl)C=C1)C1=CC=CC=C1","16845-41-3","O=C(c1ccc(Cl)cc1Cl)N(O)c1ccccc1","O=C(c1c(cc(cc1)Cl)Cl)N(O)c2ccccc2",{"$nulls":4},281.0010338880003,"?"]
[4124,null,"16851-69-7",{"$nulls":7},""]
[4125,"CSC1=NC2=NC=CN=C2C=N1","16878-77-6","CSc1ncc2nccnc2n1","CSc1nc2c(cn1)nccn2",{"$nulls":4},178.031317192,"?"]
[4126,"CC(C)C1(Br)C(=O)NC(=O)NC1=O","16952-71-9","CC(C)C1(Br)C(=O)NC(=O)NC1=O","CC(C)C1(C(NC(NC1=O)=O)=O)Br",{"$nulls":4},247.979654248,"?"]
[4127,"NS(=O)(=O)C1=CC=C(C=C1)S(N)(=O)=O","16993-45-6","NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1","NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O",{"$nulls":4},235.992548736,"?"]
[4128,"CCCCC1(CCCC)C(=O)NC(=O)NC1=O","17013-41-1","CCCCC1(CCCC)C(=O)NC(=O)NC1=O","CCCCC1(C(NC(NC1=O)=O)=O)CCCC",{"$nulls":4},240.1473925,"?"]
[4129,"CCCC1(CCC(C)C)C(=O)NC(=O)NC1=O","17013-42-2","CCCC1(CCC(C)C)C(=O)NC(=O)NC1=O","CCCC1(C(NC(NC1=O)=O)=O)CCC(C)C",{"$nulls":4},240.1473925,"?"]
[4130,"OC1=CC=CC2=C1N=NC=C2","17056-95-0","Oc1cccc2ccnnc12","Oc1c2c(ccc1)ccnn2",{"$nulls":4},146.048012812,"?"]
[4131,"CC1=CN=NC2=C1C=CC=C2O","17056-96-1","Cc1cnnc2c(O)cccc12","Cc1c2c(nnc1)c(O)ccc2",{"$nulls":4},160.063662876,"?"]
[4132,"O=C1C=CC=C2NC=CN=C12","17056-99-4","O=c1cccc2[nH]ccnc1-2","O=c1c2-c(ccc1)[nH]ccn2",{"$nulls":4},146.048012812,"?"]
[4133,"OC1=C2N=CC=CC2=CN=C1","17057-00-0","Oc1cncc2cccnc12","Oc1c2c(cnc1)cccn2",{"$nulls":4},146.048012812,"?"]
[4134,null,"17073-27-7",{"$nulls":7},""]
[4135,null,"17103-43-4",{"$nulls":7},""]
[4136,null,"17103-45-6",{"$nulls":7},""]
[4137,"NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CN1","17103-46-7","Nc1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2[nH]ccn2",{"$nulls":4},238.05244656,"?"]
[4138,null,"17103-48-9",{"$nulls":7},""]
[4139,null,"17103-49-0",{"$nulls":7},""]
[4140,"NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CO1","17103-51-4","Nc1ccc(S(=O)(=O)Nc2ncco2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2occn2",{"$nulls":4},239.036462148,"?"]
[4141,null,"17103-52-5",{"$nulls":7},""]
[4142,null,"17103-53-6",{"$nulls":7},""]
[4143,"CCOP(=O)(SC1=CC=CC=C1)SC1=CC=CC=C1","17109-49-8","CCOP(=O)(Sc1ccccc1)Sc1ccccc1","CCOP(=O)(Sc1ccccc1)Sc2ccccc2",{"$nulls":4},310.02510835000044,"?"]
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[4145,"OC(=O)CN=C(O)CN=C(O)CNC(O)=N","17186-15-1","N=C(O)NCC(O)=NCC(O)=NCC(=O)O","N=C(O)NCC(O)=NCC(O)=NCC(=O)O",{"$nulls":4},232.080769484,"?"]
[4146,"CCNC(CC)C(O)=O","17199-14-3","CCNC(CC)C(=O)O","CCNC(CC)C(=O)O",{"$nulls":4},131.094628656,"?"]
[4147,null,"17199-29-0",{"$nulls":7},""]
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[4150,"CCCC[CH](NC)C(O)=O","17343-27-0","CCCCC(NC)C(=O)O","CCCCC(NC)C(=O)O",{"$nulls":4},145.11027872,"?"]
[4151,"CC(C)OC(C)(C)C","17348-59-3","CC(C)OC(C)(C)C","CC(C)OC(C)(C)C",{"$nulls":4},116.120115132,"?"]
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[4157,"CCC1OC(=O)C2=CC=CC=C12","17475-41-1","CCC1OC(=O)c2ccccc21","CCC1c2c(C(O1)=O)cccc2",{"$nulls":4},162.06807956,"?"]
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[4160,"CC1=C(C)C(=O)C2=CC=CC=C2O1","17584-90-6","Cc1oc2ccccc2c(=O)c1C","Cc1c(c(c2c(o1)cccc2)=O)C",{"$nulls":4},174.06807956,"?"]
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[4162,"CCC(CC#N)C#N","17611-82-4","CCC(C#N)CC#N","CCC(C#N)CC#N",{"$nulls":4},108.06874825599999,"?"]
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[4164,null,"17650-86-1",{"$nulls":7},""]
[4165,null,"17689-42-8",{"$nulls":7},""]
[4166,null,"17694-78-9",{"$nulls":7},""]
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[4168,"ClC1=CC=CC(NC(=O)CC#N)=C1","17722-12-2","N#CCC(=O)Nc1cccc(Cl)c1","N#CCC(=O)Nc1cc(ccc1)Cl",{"$nulls":4},194.024690524,"?"]
[4169,"ClC1=CC=C(NC(=O)CC#N)C=C1","17722-17-7","N#CCC(=O)Nc1ccc(Cl)cc1","N#CCC(=O)Nc1ccc(cc1)Cl",{"$nulls":4},194.024690524,"?"]
[4170,"OC(=O)C(=O)NC1=C(Cl)C=C(Cl)C=C1","17772-30-4","O=C(O)C(=O)Nc1ccc(Cl)cc1Cl","O=C(O)C(=O)Nc1c(cc(cc1)Cl)Cl",{"$nulls":4},232.96464838,"?"]
[4171,"CCN1C=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC1=O","17784-12-2","CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O","CCn1c(nc(cc1)NS(=O)(=O)c2ccc(cc2)N)=O",{"$nulls":4},294.07866130800033,"?"]
[4172,null,"17804-35-2",{"$nulls":7},""]
[4173,null,"17894-07-4",{"$nulls":7},""]
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[4175,"NC1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O","17973-92-1","Nc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1","Nc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]",{"$nulls":4},199.02292026,"?"]
[4176,"OC(=O)CC1=C(N=C(S1)C1=CC=CC=C1)C1=CC=C(Cl)C=C1","18046-21-4","O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1","O=C(O)Cc1c(nc(s1)-c2ccccc2)-c3ccc(cc3)Cl",{"$nulls":4},329.02772730400034,"?"]
[4177,"C=CCCCN=C=S","18060-79-2","C=CCCCN=C=S","C=CCCCN=C=S",{"$nulls":4},127.045570288,"?"]
[4178,"OC1=C(C=CC(=C1)C1=CC=CC=C1)[N+]([O-])=O","18062-89-0","O=[N+]([O-])c1ccc(-c2ccccc2)cc1O","O=[N+]([O-])c1c(cc(cc1)-c2ccccc2)O",{"$nulls":4},215.058243148,"?"]
[4179,"COC1=C(O)C=CC(C=O)=C1C","18102-32-4","COc1c(O)ccc(C=O)c1C","COc1c(c(ccc1O)C=O)C",{"$nulls":4},166.06299418,"?"]
[4180,null,"18135-04-1",{"$nulls":7},""]
[4181,"CC(C)OC(=O)C1=CC=C(N)C=C1","18144-43-9","CC(C)OC(=O)c1ccc(N)cc1","CC(C)OC(=O)c1ccc(cc1)N",{"$nulls":4},179.094628656,"?"]
[4182,"CCN(CC)C(=O)C1=CC2=CC=CC=C2OC1=O","18144-62-2","CCN(CC)C(=O)c1cc2ccccc2oc1=O","CCN(CC)C(=O)c1c(oc2c(c1)cccc2)=O",{"$nulls":4},245.10519334,"?"]
[4183,"C[Si](C)(C)CN","18166-02-4","C[Si](C)(C)CN","C[Si](C)(C)CN",{"$nulls":4},103.08172594599999,"?"]
[4184,"COP(=S)(OC)OC1=CC(Cl)=C(I)C=C1Cl","18181-70-9","COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)I)Cl",{"$nulls":4},411.83535510600024,"?"]
[4185,"CC(C)OC(=O)C(O)(C1=CC=C(Br)C=C1)C1=CC=C(Br)C=C1","18181-80-1","CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1","CC(C)OC(=O)C(O)(c1ccc(cc1)Br)c2ccc(cc2)Br",{"$nulls":4},425.9466185720005,"?"]
[4186,"C[Si](C)(C)CCCN","18187-14-9","C[Si](C)(C)CCCN","C[Si](C)(C)CCCN",{"$nulls":4},131.113026074,"?"]
[4187,"ClC1=C(Cl)C(Cl)=C(C(Cl)=C1Cl)C1=CC=CC=C1","18259-05-7","Clc1c(Cl)c(Cl)c(-c2ccccc2)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)-c2ccccc2)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4188,"NNC(=N)N[N+]([O-])=O","18264-75-0","N=C(NN)N[N+](=O)[O-]","N=C(NN)N[N+](=O)[O-]",{"$nulls":4},119.0443244,"?"]
[4189,"OC1=C(N=NC2=C3C=CC=CC3=C(C=C2)S(O)(=O)=O)C2=C(C=CC=C2)C=C1","18268-54-7","O=S(=O)(O)c1ccc(N=Nc2c(O)ccc3ccccc23)c2ccccc12","O=S(=O)(O)c1c2c(c(cc1)N=Nc3c4c(ccc3O)cccc4)cccc2",{"$nulls":4},378.06742792800037,"?"]
[4190,"OCC1=CC=C(I)C=C1","18282-51-4","OCc1ccc(I)cc1","OCc1ccc(cc1)I",{"$nulls":4},233.954162844,"?"]
[4191,"CC1CCCC(=NO)C1=NO","18310-18-4","CC1CCCC(=NO)C1=NO","CC1C(C(CCC1)=NO)=NO",{"$nulls":4},156.089877624,"?"]
[4192,"CC1CCC(=NO)C(C1)=NO","18310-19-5","CC1CCC(=NO)C(=NO)C1","CC1CC(C(CC1)=NO)=NO",{"$nulls":4},156.089877624,"?"]
[4193,"CC(C)C1CCC(=NO)C(C1)=NO","18310-20-8","CC(C)C1CCC(=NO)C(=NO)C1","CC(C)C1CC(C(CC1)=NO)=NO",{"$nulls":4},184.121177752,"?"]
[4194,null,"18409-49-9",{"$nulls":7},""]
[4195,"CC1=CC2=CC3=CC=CC=C3C=C2C2=CC=CC(C)=C12","18429-70-4","Cc1cccc2c1c(C)cc1cc3ccccc3cc12","Cc1c2c(ccc1)c3c(cc2C)cc4c(cccc4)c3",{"$nulls":4},256.125200512,"?"]
[4196,null,"18438-56-7",{"$nulls":7},""]
[4197,"ON=C1CCCCCCCCC1=NO","18486-81-2","ON=C1CCCCCCCCC1=NO","ON=C1C(CCCCCCCC1)=NO",{"$nulls":4},198.136827816,"?"]
[4198,null,"18524-94-2",{"$nulls":7},""]
[4199,"CN(C)C(=O)N[CH]1C[CH]2C[CH]1[CH]1CCC[CH]21","18530-56-8","CN(C)C(=O)NC1CC2CC1C1CCCC21","CN(C)C(=O)NC1C2CC(C1)C3C2CCC3",{"$nulls":4},222.173213324,"?"]
[4200,"CCSS(=O)CC","18542-39-7","CCSS(=O)CC","CCSS(=O)CC",{"$nulls":4},138.01730694,"?"]
[4201,"CC(C)(C)NCC(O)C1=CC=C(O)C(CO)=C1","18559-94-9","CC(C)(C)NCC(O)c1ccc(O)c(CO)c1","CC(C)(C)NCC(O)c1cc(c(cc1)O)CO",{"$nulls":4},239.152143532,"?"]
[4202,"COC1CCCC(C)O1","18653-59-3","COC1CCCC(C)O1","COC1OC(CCC1)C",{"$nulls":4},130.099379688,"?"]
[4203,"CC1(C)OC2(C)CCC1CC2=O","18679-55-5","CC12CCC(CC1=O)C(C)(C)O2","CC12C(CC(CC1)C(C)(C)O2)=O",{"$nulls":4},168.115029752,"?"]
[4204,null,"18691-97-9",{"$nulls":7},""]
[4205,"[O-][N+](=O)C1=C(Cl)C=C(Cl)C=C1Cl","18708-70-8","O=[N+]([O-])c1c(Cl)cc(Cl)cc1Cl","O=[N+]([O-])c1c(cc(cc1Cl)Cl)Cl",{"$nulls":4},224.915111344,"?"]
[4206,null,"18720-62-2",{"$nulls":7},""]
[4207,null,"18720-65-5",{"$nulls":7},""]
[4208,null,"18720-66-6",{"$nulls":7},""]
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[4210,null,"18807-87-9",{"$nulls":7},""]
[4211,"CCOP(=S)(OCC)OC1=NOC(=C1)C1=CC=CC=C1","18854-01-8","CCOP(=S)(OCC)Oc1cc(-c2ccccc2)on1","CCOP(=S)(OCC)Oc1noc(c1)-c2ccccc2",{"$nulls":4},313.05376562200047,"?"]
[4212,null,"18854-93-8",{"$nulls":7},""]
[4213,"CC(C)CC(=O)OC1=CC=C(C=C1)N(=O)=O","18934-77-5","CC(C)CC(=O)Oc1ccc([N+](=O)[O-])cc1","CC(C)CC(=O)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},223.084457896,"?"]
[4214,"OCC1=CC=CC=C1Br","18982-54-2","OCc1ccccc1Br","OCc1c(cccc1)Br",{"$nulls":4},185.968026944,"?"]
[4215,"CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O","19044-88-3","CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(N)(=O)=O)[N+](=O)[O-]",{"$nulls":4},346.0947052960004,"?"]
[4216,"CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1","19077-98-6","CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2",{"$nulls":4},291.0677622760004,"?"]
[4217,"CCC1=NC2=NC(=N)NC(N)=C2N=C1CC","19152-77-3","CCc1nc2nc(=N)[nH]c(N)c2nc1CC","CCc1c(nc2c(n1)nc(=N)[nH]c2N)CC",{"$nulls":4},218.12799444799998,"?"]
[4218,"CN=C1NC=C2N=CC=NC2=N1","19167-57-8","CN=c1nc2nccnc2c[nH]1","CN=c1[nH]cc2c(n1)nccn2",{"$nulls":4},161.070145224,"?"]
[4219,null,"19250-24-9",{"$nulls":7},""]
[4220,"CCC(=O)NC(C)=O","19264-34-7","CCC(=O)NC(C)=O","CCC(=O)NC(C)=O",{"$nulls":4},115.063328528,"?"]
[4221,"COC1=CC(N=C(O)C2=CN=CC=C2)=C2N=CC=CC2=C1","19275-71-9","COc1cc(N=C(O)c2cccnc2)c2ncccc2c1","COc1cc2c(c(c1)N=C(O)c3cnccc3)nccc2",{"$nulls":4},279.10077665600033,"?"]
[4222,null,"19288-69-8",{"$nulls":7},""]
[4223,null,"19288-70-1",{"$nulls":7},""]
[4224,"N[CH]([CH](O)[CH](O)COC(N)=O)C(=O)N[CH]([CH]1O[CH]([CH](O)[CH]1O)N1C=C(CO)C(=O)NC1=O)C(O)=O","19396-06-6","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1OC(n2cc(CO)c(=O)[nH]c2=O)C(O)C1O","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1C(C(C(O1)n2c([nH]c(c(c2)CO)=O)=O)O)O",{"$nulls":4},507.14488586000056,"?"]
[4225,"Cl.C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)[CH](O)[CH]2O)[CH](N)C[CH]1NC(=N)C(O)=O","19408-46-9","CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1NC(=N)C(=O)O","CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)NC(=N)C(=O)O","Cl",{"$nulls":3},415.13575709200074,"?"]
[4226,null,"19433-84-2",{"$nulls":7},""]
[4227,"COC1=C(O)C(Cl)=CC(C=O)=C1","19463-48-0","COc1cc(C=O)cc(Cl)c1O","COc1c(c(cc(c1)C=O)Cl)O",{"$nulls":4},186.008371764,"?"]
[4228,"BrC1=CC2=C(COC2=O)C=C1","19477-73-7","O=C1OCc2ccc(Br)cc21","O=C1c2c(CO1)ccc(Br)c2",{"$nulls":4},211.9472915,"?"]
[4229,null,"19549-79-2",{"$nulls":7},""]
[4230,null,"19550-30-2",{"$nulls":7},""]
[4231,"OC1=C(Cl)C=C(Cl)C=C1CC1=CC=CC=C1","19578-81-5","Oc1c(Cl)cc(Cl)cc1Cc1ccccc1","Oc1c(cc(cc1Cl)Cl)Cc2ccccc2",{"$nulls":4},252.0108703,"?"]
[4232,"[Cl-].CCSC(=O)NCCC[NH+](C)C","19622-19-6","CCSC(=O)NCCC[NH+](C)C","CCSC(=O)NCCCN(C)C","[Cl-]",{"$nulls":3},226.090661908,"Structure has been neutralized"]
[4233,"ClC1=CC2=C(COC2=O)C=C1","19641-29-3","O=C1OCc2ccc(Cl)cc21","O=C1c2c(CO1)ccc(Cl)c2",{"$nulls":4},167.99780708,"?"]
[4234,"CC(C)OC1=CC(N2N=C(OC2=O)C(C)(C)C)=C(Cl)C=C1Cl","19666-30-9","CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl","CC(C)Oc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl",{"$nulls":4},344.0694477960005,"?"]
[4235,"CCOC1=CC=C(C(O)=O)C2=CC=CC=C12","19692-24-1","CCOc1ccc(C(=O)O)c2ccccc12","CCOc1c2c(c(cc1)C(=O)O)cccc2",{"$nulls":4},216.078644244,"?"]
[4236,"CCC(C)(O)C(O)C1=CC=CC=C1","19757-53-0","CCC(C)(O)C(O)c1ccccc1","CCC(C)(O)C(O)c1ccccc1",{"$nulls":4},180.115029752,"?"]
[4237,"CC(C)C[CH](NC(C)=O)C(O)=O","19764-30-8","CC(=O)NC(CC(C)C)C(=O)O","CC(=O)NC(CC(C)C)C(=O)O",{"$nulls":4},173.10519334,"?"]
[4238,"CCC(C)[CH](N=C(C)O)C(O)=O","19764-31-9","CCC(C)C(N=C(C)O)C(=O)O","CCC(C)C(N=C(C)O)C(=O)O",{"$nulls":4},173.10519334,"?"]
[4239,null,"19794-53-7",{"$nulls":7},""]
[4240,"OC1=C(Br)C=NC=N1","19808-30-1","Oc1ncncc1Br","Oc1c(cncn1)Br",{"$nulls":4},173.942874816,"?"]
[4241,"OC1=C(C#N)C(=O)NC(Cl)=C1","19867-18-6","N#Cc1c(O)cc(Cl)[nH]c1=O","N#Cc1c([nH]c(cc1O)Cl)=O",{"$nulls":4},169.988305016,"?"]
[4242,null,"19889-01-1",{"$nulls":7},""]
[4243,"COC1=C(Cl)C=C(NC(=O)N(C)C)C=C1","19937-59-8","COc1ccc(NC(=O)N(C)C)cc1Cl","COc1c(cc(cc1)NC(=O)N(C)C)Cl",{"$nulls":4},228.066555336,"?"]
[4244,"CCNC(C)C","19961-27-4","CCNC(C)C","CCNC(C)C",{"$nulls":4},87.10479941599999,"?"]
[4245,"ClC1=C(Cl)C(Cl)=C2C=CC=CC2=C1Cl","20020-02-4","Clc1c(Cl)c(Cl)c2ccccc2c1Cl","Clc1c(c2c(c(c1Cl)Cl)cccc2)Cl",{"$nulls":4},263.9067108480001,"?"]
[4246,"[O-][N+](=O)NC1=CC=C(C=C1)[N+]([O-])=O","20020-13-7","O=[N+]([O-])Nc1ccc([N+](=O)[O-])cc1","O=[N+]([O-])Nc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},183.02800564,"?"]
[4247,null,"20043-94-1",{"$nulls":7},""]
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[4251,"CCCCCOP(=O)(OCC)OCC","20195-08-8","CCCCCOP(=O)(OCC)OCC","CCCCCOP(=O)(OCC)OCC",{"$nulls":4},224.117745782,"?"]
[4252,null,"20257-17-4",{"$nulls":7},""]
[4253,null,"20279-51-0",{"$nulls":7},""]
[4254,null,"20281-91-8",{"$nulls":7},""]
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[4257,"COCC(C)OCC(C)OCC(C)O","20324-33-8","COCC(C)OCC(C)OCC(C)O","COCC(C)OCC(C)OCC(C)O",{"$nulls":4},206.151809184,"?"]
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[4259,"CCCOC1=CC=C(NC(C)=O)C=C1","20367-32-2","CCCOc1ccc(NC(C)=O)cc1","CCCOc1ccc(cc1)NC(C)=O",{"$nulls":4},193.11027872,"?"]
[4260,null,"20473-73-8",{"$nulls":7},""]
[4261,null,"20473-77-2",{"$nulls":7},""]
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[4263,"CN(C(N)=O)C1=CC=CC=C1C","20632-28-4","Cc1ccccc1N(C)C(N)=O","Cc1c(cccc1)N(C)C(N)=O",{"$nulls":4},164.094963004,"?"]
[4264,"CCCCCCO[N+]([O-])=O","20633-11-8","CCCCCCO[N+](=O)[O-]","CCCCCCO[N+](=O)[O-]",{"$nulls":4},147.089543276,"?"]
[4265,null,"20664-26-0",{"$nulls":7},""]
[4266,null,"20664-28-2",{"$nulls":7},""]
[4267,null,"20664-34-0",{"$nulls":7},""]
[4268,null,"20664-36-2",{"$nulls":7},""]
[4269,null,"20664-40-8",{"$nulls":7},""]
[4270,null,"20722-63-8",{"$nulls":7},""]
[4271,null,"20724-92-9",{"$nulls":7},""]
[4272,null,"20753-85-9",{"$nulls":7},""]
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[4274,null,"20769-96-4",{"$nulls":7},""]
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[4276,"CCCC(O)(CCC)C(O)C1=CC=CC=C1","20805-10-1","CCCC(O)(CCC)C(O)c1ccccc1","CCCC(O)(CCC)C(O)c1ccccc1",{"$nulls":4},222.161979944,"?"]
[4277,null,"20805-11-2",{"$nulls":7},""]
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[4279,"CC1=NC(C)=C(C)C(C)=C1","20820-82-0","Cc1cc(C)c(C)c(C)n1","Cc1nc(c(c(c1)C)C)C",{"$nulls":4},135.104799416,"?"]
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[4281,null,"20836-12-8",{"$nulls":7},""]
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[4283,"OC(=O)CC1=CC2=CC=CC=C2OC1=O","20862-58-2","O=C(O)Cc1cc2ccccc2oc1=O","O=C(O)Cc1c(oc2c(c1)cccc2)=O",{"$nulls":4},204.042258736,"?"]
[4284,null,"20893-64-5",{"$nulls":7},""]
[4285,"SC(=N)NCNC(S)=N","20939-13-3","N=C(S)NCNC(=N)S","N=C(S)NCNC(=N)S",{"$nulls":4},164.019038256,"?"]
[4286,"S=C1NSC(=S)N1","20939-17-7","S=c1[nH]sc(=S)[nH]1","S=c1[nH]c(s[nH]1)=S",{"$nulls":4},149.938011064,"?"]
[4287,"CSC1=NN=C(C(=O)N1N)C(C)(C)C","21087-64-9","CSc1nnc(C(C)(C)C)c(=O)n1N","CSc1n(c(c(nn1)C(C)(C)C)=O)N",{"$nulls":4},214.088832068,"?"]
[4288,null,"21142-58-5",{"$nulls":7},""]
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[4290,"OC(=O)C1=CC=CC(C(O)=O)=C1[N+]([O-])=O","21161-11-5","O=C(O)c1cccc(C(=O)O)c1[N+](=O)[O-]","O=C(O)c1c(c(ccc1)C(=O)O)[N+](=O)[O-]",{"$nulls":4},211.01168688,"?"]
[4291,"CC(C#C)N(C(=O)CCl)C1=CC=CC=C1","21267-72-1","C#CC(C)N(C(=O)CCl)c1ccccc1","C#CC(C)N(C(=O)CCl)c1ccccc1",{"$nulls":4},221.060741684,"?"]
[4292,"CC(Cl)C(C)(C)O","21326-62-5","CC(Cl)C(C)(C)O","CC(Cl)C(C)(C)O",{"$nulls":4},122.049842652,"?"]
[4293,"OC1=C(C=C(C(=C1)C1=CC=CC=C1)N(=O)=O)N(=O)=O","21419-76-1","O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2ccccc2)cc1O","O=[N+]([O-])c1c(cc(c(c1)[N+](=O)[O-])-c2ccccc2)O",{"$nulls":4},260.04332135600015,"?"]
[4294,null,"21462-48-6",{"$nulls":7},""]
[4295,"CCOP(=O)(OCC)N=C1SCS1","21548-32-3","CCOP(=O)(N=C1SCS1)OCC","CCOP(=O)(N=C1SCS1)OCC",{"$nulls":4},240.999621874,"?"]
[4296,"N#CSCSC1=NC2=CC=CC=C2S1","21564-17-0","N#CSCSc1nc2ccccc2s1","N#CSCSc1sc2c(n1)cccc2",{"$nulls":4},237.969311192,"?"]
[4297,null,"21570-35-4",{"$nulls":7},""]
[4298,"COP(=S)(OC1=CC(Cl)=C(Br)C=C1Cl)C1=CC=CC=C1","21609-90-5","COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1","COP(=S)(Oc1c(cc(c(c1)Cl)Br)Cl)c2ccccc2",{"$nulls":4},409.86995465000024,"?"]
[4299,"CC(=O)NC1=CC2=C(COC2=O)C=C1","21626-90-4","CC(=O)Nc1ccc2c(c1)C(=O)OC2","CC(=O)Nc1cc2c(cc1)COC2=O",{"$nulls":4},191.058243148,"?"]
[4300,"CCNC1=NC(NC(C)(C)C#N)=NC(Cl)=N1","21725-46-2","CCNc1nc(Cl)nc(NC(C)(C)C#N)n1","CCNc1nc(nc(n1)Cl)NC(C)(C)C#N",{"$nulls":4},240.08902209599998,"?"]
[4301,"OC(=O)C1=C(Cl)C=CC(Br)=C1","21739-92-4","O=C(O)c1cc(Br)ccc1Cl","O=C(O)c1c(ccc(c1)Br)Cl",{"$nulls":4},233.908319148,"?"]
[4302,"CN1C(=O)COC2=CC=CC=C12","21744-84-3","CN1C(=O)COc2ccccc21","CN1c2c(OCC1=O)cccc2",{"$nulls":4},163.063328528,"?"]
[4303,"CC(=O)OC(C1=CC(Cl)=C(Cl)C=C1)C(Cl)(Cl)Cl","21757-82-4","CC(=O)OC(c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl","CC(=O)OC(c1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl",{"$nulls":4},333.8888678640002,"?"]
[4304,null,"21838-75-5",{"$nulls":7},""]
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[4306,null,"22038-56-8",{"$nulls":7},""]
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[4308,"CC(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1","22071-15-4","CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1","CC(C(=O)O)c1cc(ccc1)C(=O)c2ccccc2",{"$nulls":4},254.094294308,"?"]
[4309,"CC1=C(N=NS1)C(O)=O","22097-10-5","Cc1snnc1C(=O)O","Cc1c(nns1)C(=O)O",{"$nulls":4},143.999348368,"?"]
[4310,null,"22119-15-9",{"$nulls":7},""]
[4311,null,"22150-76-1",{"$nulls":7},""]
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[4314,"CCOP(=O)(NC(C)C)OC1=CC=C(SC)C(C)=C1","22224-92-6","CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1","CCOP(=O)(NC(C)C)Oc1cc(c(cc1)SC)C",{"$nulls":4},303.1058011940006,"?"]
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[4316,"CNC(=O)OC1=CC=CC(=C1)N=CN(C)C","22259-30-9","CNC(=O)Oc1cccc(N=CN(C)C)c1","CNC(=O)Oc1cc(ccc1)N=CN(C)C",{"$nulls":4},221.11642672,"?"]
[4317,"COC(=O)C1=C(N)C=CS1","22288-78-4","COC(=O)c1sccc1N","COC(=O)c1c(ccs1)N",{"$nulls":4},157.019749464,"?"]
[4318,"COP(=O)(OC)OC(=CCl)C1=C(Cl)C=C(Cl)C(Cl)=C1","22350-76-1","COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},363.89925611800027,"?"]
[4319,null,"22359-66-6",{"$nulls":7},""]
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[4321,"OC(=O)C(C1=CC=CC=C1C(O)=O)C1=CC=CC=C1C(O)=O","22589-07-7","O=C(O)c1ccccc1C(C(=O)O)c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(C(=O)O)c2c(cccc2)C(=O)O",{"$nulls":4},300.0633881040003,"?"]
[4322,null,"22659-18-3",{"$nulls":7},""]
[4323,null,"22659-20-7",{"$nulls":7},""]
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[4326,null,"22751-16-2",{"$nulls":7},""]
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[4328,"COC1=CC=C(C[CH]2NC[CH](O)[CH]2OC(C)=O)C=C1","22862-76-6","COc1ccc(CC2NCC(O)C2OC(C)=O)cc1","COc1ccc(cc1)CC2C(C(CN2)O)OC(C)=O",{"$nulls":4},265.1314080880003,"?"]
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[4330,null,"22915-90-8",{"$nulls":7},""]
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[4338,"CN1C2=C(N(CCCO)C=N2)C(=O)N(C)C1=O","23146-04-5","Cn1c(=O)c2c(ncn2CCCO)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)CCCO)C)=O",{"$nulls":4},238.106590308,"?"]
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[4340,"CCC(CO)(CO)COCC(CC)(CO)CO","23235-61-2","CCC(CO)(CO)COCC(CC)(CO)CO","CCC(CO)(CO)COCC(CC)(CO)CO",{"$nulls":4},250.178023932,"?"]
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[4344,"COC(=O)NC(=S)NC1=C(NC(=S)NC(=O)OC)C=CC=C1","23564-05-8","COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC","COC(=O)NC(=S)Nc1c(cccc1)NC(=S)NC(=O)OC",{"$nulls":4},342.0456469280004,"?"]
[4345,"CC(C)(CCC(C)(C)CC(O)=O)CC(O)=O","23578-38-3","CC(C)(CCC(C)(C)CC(=O)O)CC(=O)O","CC(C)(CCC(C)(C)CC(=O)O)CC(=O)O",{"$nulls":4},230.151809184,"?"]
[4346,"CCCCCCOC(=O)C1=CN=CC=C1","23597-82-2","CCCCCCOC(=O)c1cccnc1","CCCCCCOC(=O)c1cnccc1",{"$nulls":4},207.125928784,"?"]
[4347,"OP(O)(=O)CN(CCCCCCN(CP(O)(O)=O)CP(O)(O)=O)CP(O)(O)=O","23605-74-5","O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O","O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O",{"$nulls":4},492.05927085600064,"?"]
[4348,"CN(C)C1=NC2=CN=CN=C2N1","23687-23-2","CN(C)c1nc2cncnc2[nH]1","CN(C)c1[nH]c2c(n1)cncn2",{"$nulls":4},163.08579528799999,"?"]
[4349,"CC1=NC=C2N=C(C)C(C)=NC2=N1","23767-00-2","Cc1ncc2nc(C)c(C)nc2n1","Cc1nc2c(cn1)nc(C)c(C)n2",{"$nulls":4},174.09054632,"?"]
[4350,"OC[CH](O)[CH](O)[CH](O)[CH](O)C=NNC(O)=N","23789-57-3","N=C(O)NN=CC(O)C(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)C(O)CO",{"$nulls":4},237.0960852,"?"]
[4351,null,"23792-61-2",{"$nulls":7},""]
[4352,"OC(=O)C1=C(O)N=C(O)N=C1","23945-44-0","O=C(O)c1cnc(O)nc1O","O=C(O)c1c(nc(nc1)O)O",{"$nulls":4},156.017106608,"?"]
[4353,"CC(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C#C","23950-58-5","C#CC(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1","C#CC(C)(C)NC(=O)c1cc(cc(c1)Cl)Cl",{"$nulls":4},255.021769332,"?"]
[4354,"CCOP(=S)(OCC)OC1=NN(C=N1)C1=CC=CC=C1","24017-47-8","CCOP(=S)(OCC)Oc1ncn(-c2ccccc2)n1","CCOP(=S)(OCC)Oc1nn(cn1)-c2ccccc2",{"$nulls":4},313.06499900200043,"?"]
[4355,"CC1(C)OC(=O)C2=CC3=CC=CC=C3C=C12","24018-57-3","CC1(C)OC(=O)c2cc3ccccc3cc21","CC1(c2c(C(O1)=O)cc3c(cccc3)c2)C",{"$nulls":4},212.083729624,"?"]
[4356,"COC(=O)C1=CC(O)=C(OC)C(O)=C1","24093-81-0","COC(=O)c1cc(O)c(OC)c(O)c1","COC(=O)c1cc(c(c(c1)O)OC)O",{"$nulls":4},198.05282342,"?"]
[4357,"CC(=O)NC1=C(C)C=C(Br)C=C1","24106-05-6","CC(=O)Nc1ccc(Br)cc1C","CC(=O)Nc1c(cc(cc1)Br)C",{"$nulls":4},226.99457604,"?"]
[4358,"CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C","24151-93-7","CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C","CCCOP(=S)(OCCC)SCC(=O)N1C(CCCC1)C",{"$nulls":4},353.1248223860008,"?"]
[4359,"CC(C)COCN(C(=O)CCl)C1=C(C)C=CC=C1C","24353-58-0","Cc1cccc(C)c1N(COCC(C)C)C(=O)CCl","Cc1c(c(ccc1)C)N(COCC(C)C)C(=O)CCl",{"$nulls":4},283.1339066240006,"?"]
[4360,"CNC1=CC=C(C=C1)S(O)(=O)=O","24447-99-2","CNc1ccc(S(=O)(=O)O)cc1","CNc1ccc(cc1)S(=O)(=O)O",{"$nulls":4},187.030314148,"?"]
[4361,null,"24487-40-9",{"$nulls":7},""]
[4362,"CCCOC(=O)NCCCN(C)C","24579-73-5","CCCOC(=O)NCCCN(C)C","CCCOC(=O)NCCCN(C)C",{"$nulls":4},188.15247788,"?"]
[4363,"CC1=C(CCCO1)C(=O)NC1=CC=CC=C1","24691-76-7","CC1=C(C(=O)Nc2ccccc2)CCCO1","CC=1OCCCC1C(=O)Nc2ccccc2",{"$nulls":4},217.11027872,"?"]
[4364,"CC1=C(C=CO1)C(=O)NC1=CC=CC=C1","24691-80-3","Cc1occc1C(=O)Nc1ccccc1","Cc1c(cco1)C(=O)Nc2ccccc2",{"$nulls":4},201.078978592,"?"]
[4365,"CCCCC(CCC(O)=O)CC(O)=O","24767-93-9","CCCCC(CCC(=O)O)CC(=O)O","CCCCC(CCC(=O)O)CC(=O)O",{"$nulls":4},202.120509056,"?"]
[4366,"CN1C=NC2=C(N=CC=N2)C1=O","24851-65-8","Cn1cnc2nccnc2c1=O","Cn1c(c2c(nc1)nccn2)=O",{"$nulls":4},162.054160812,"?"]
[4367,"CCCCCC1C(CC(=O)OC)CCC1=O","24851-98-7","CCCCCC1C(=O)CCC1CC(=O)OC","CCCCCC1C(CCC1=O)CC(=O)OC",{"$nulls":4},226.156894564,"?"]
[4368,"OC1=NC=NC2=C1N=C(C1=CC=CC=C1)C(=N2)C1=CC=CC=C1","24863-39-6","Oc1ncnc2nc(-c3ccccc3)c(-c3ccccc3)nc12","Oc1c2c(ncn1)nc(-c3ccccc3)c(-c4ccccc4)n2",{"$nulls":4},300.10111100400036,"?"]
[4369,"CC1=C(O)C(I)=CC=C1","24885-45-8","Cc1cccc(I)c1O","Cc1c(c(ccc1)I)O",{"$nulls":4},233.954162844,"?"]
[4370,"ClC1=CC(OC2=CC=CC=C2)=CC(Cl)=C1","24910-68-7","Clc1cc(Cl)cc(Oc2ccccc2)c1","Clc1cc(cc(c1)Cl)Oc2ccccc2",{"$nulls":4},237.995220236,"?"]
[4371,"ClC1=CC(OC2=CC=CC=C2)=C(Cl)C=C1","24910-69-8","Clc1ccc(Cl)c(Oc2ccccc2)c1","Clc1cc(c(cc1)Cl)Oc2ccccc2",{"$nulls":4},237.995220236,"?"]
[4372,"ClC1=CC=C(OC2=CC(Cl)=CC(Cl)=C2)C=C1","24910-73-4","Clc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1","Clc1ccc(cc1)Oc2cc(cc(c2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[4373,"CCOP(=S)(OCC)SCCl","24934-91-6","CCOP(=S)(OCC)SCCl","CCOP(=S)(OCC)SCCl",{"$nulls":4},233.97048593399998,"?"]
[4374,null,"25013-15-4",{"$nulls":7},""]
[4375,"CC(C)N1C(=O)C2=C(NS1(=O)=O)C=CC=C2","25057-89-0","CC(C)N1C(=O)c2ccccc2NS1(=O)=O","CC(C)N1S(Nc2c(C1=O)cccc2)(=O)=O",{"$nulls":4},240.056863244,"?"]
[4376,"CCOC(=O)CN1C(=O)SC2=CC=CC(Cl)=C12","25059-80-7","CCOC(=O)Cn1c(=O)sc2cccc(Cl)c21","CCOC(=O)Cn1c2c(sc1=O)cccc2Cl",{"$nulls":4},271.0069918600003,"?"]
[4377,"OC(=O)COC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O","25141-25-7","O=C(O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},242.01750053199999,"?"]
[4378,null,"25154-52-3",{"$nulls":7},""]
[4379,null,"25154-54-5",{"$nulls":7},""]
[4380,null,"25155-15-1",{"$nulls":7},""]
[4381,null,"25167-80-0",{"$nulls":7},""]
[4382,"CC1=CC=CC=C1.Cl* |c:3,5,t:1,lp:7:3,m:8:4.5.6|","25168-05-2","*Cl","*Cl","Cc1ccccc1",{"$nulls":3},{"$error":"#NUM!"},"Errors in neutralization"]
[4383,"C*.CCCCCCCOC(=O)COC1=CC=C(Cl)C=C1Cl |c:18,t:13,15,lp:9:2,11:2,13:2,18:3,21:3,m:1:3.4.5.6.7.8|","25168-26-7","*C","*C","CCCCCCCOC(=O)COc1ccc(Cl)cc1Cl",{"$nulls":3},{"$error":"#NUM!"},"Errors in neutralization"]
[4384,null,"25264-93-1",{"$nulls":7},""]
[4385,null,"25265-71-8",{"$nulls":7},""]
[4386,null,"25267-27-0",{"$nulls":7},""]
[4387,"CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C","25311-71-1","CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C","CCOP(=S)(NC(C)C)Oc1c(cccc1)C(=O)OC(C)C",{"$nulls":4},345.11636587800064,"?"]
[4388,"CCOC(=O)C(=CC1=CC=CC=C1)N=CO","25315-34-8","CCOC(=O)C(=Cc1ccccc1)N=CO","CCOC(=O)C(=Cc1ccccc1)N=CO",{"$nulls":4},219.089543276,"?"]
[4389,null,"25318-84-7",{"$nulls":7},""]
[4390,"CCSC(=O)COC1=C(C)C=C(Cl)C=C1","25319-90-8","CCSC(=O)COc1ccc(Cl)cc1C","CCSC(=O)COc1c(cc(cc1)Cl)C",{"$nulls":4},244.032478336,"?"]
[4391,null,"25321-09-9",{"$nulls":7},""]
[4392,null,"25321-14-6",{"$nulls":7},""]
[4393,null,"25321-22-6",{"$nulls":7},""]
[4394,null,"25322-20-7",{"$nulls":7},""]
[4395,null,"25323-89-1",{"$nulls":7},""]
[4396,null,"25340-17-4",{"$nulls":7},""]
[4397,"CC(=O)C(=NO)C1=CC=CC=C1","25355-34-4","CC(=O)C(=NO)c1ccccc1","CC(=O)C(=NO)c1ccccc1",{"$nulls":4},163.063328528,"?"]
[4398,"CNC(=O)N(C)C1=NN=C(S1)C(F)(F)F","25366-23-8","CNC(=O)N(C)c1nnc(C(F)(F)F)s1","CNC(=O)N(C)c1sc(nn1)C(F)(F)F",{"$nulls":4},240.029266504,"?"]
[4399,null,"25429-23-6",{"$nulls":7},""]
[4400,null,"25429-38-3",{"$nulls":7},""]
[4401,null,"25498-49-1",{"$nulls":7},""]
[4402,null,"25512-42-9",{"$nulls":7},""]
[4403,null,"25550-14-5",{"$nulls":7},""]
[4404,null,"25550-58-7",{"$nulls":7},""]
[4405,"ClC1=CC=CC(=C1)C1=C(Cl)C=CC=C1","25569-80-6","Clc1cccc(-c2ccccc2Cl)c1","Clc1cc(ccc1)-c2c(cccc2)Cl",{"$nulls":4},222.000305616,"?"]
[4406,null,"25620-62-6",{"$nulls":7},""]
[4407,null,"25640-78-2",{"$nulls":7},""]
[4408,null,"25646-09-7",{"$nulls":7},""]
[4409,null,"25735-29-9",{"$nulls":7},""]
[4410,null,"25917-35-5",{"$nulls":7},""]
[4411,"[NH4+].CCOP([O-])(=O)C(N)=O","25954-13-6","CCOP(=O)([O-])C(N)=O","CCOP(=O)(O)C(N)=O","[NH4+]",{"$nulls":3},170.04564346200002,"Structure has been neutralized"]
[4412,"CC(C)=CC1C(C(=O)OCC2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C","26002-80-2","CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(ccc2)Oc3ccccc3)(C)C",{"$nulls":4},350.1881946920007,"?"]
[4413,"CSC1=CC(=O)C2=CC=CC=C2C1=O","26037-60-5","CSC1=CC(=O)c2ccccc2C1=O","CSC=1C(c2c(C(C1)=O)cccc2)=O",{"$nulls":4},204.024500496,"?"]
[4414,null,"26087-47-8",{"$nulls":7},""]
[4415,"CCOC1OC2=C(C=C(OS(C)(=O)=O)C=C2)C1(C)C","26225-79-6","CCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C","CCOC1C(c2c(O1)ccc(OS(C)(=O)=O)c2)(C)C",{"$nulls":4},286.0874946760005,"?"]
[4416,null,"26249-12-7",{"$nulls":7},""]
[4417,"CCNC1=NC(OC)=NC(NC(C)CC)=N1","26259-45-0","CCNc1nc(NC(C)CC)nc(OC)n1","CCNc1nc(nc(n1)NC(C)CC)OC",{"$nulls":4},225.15896022799998,"?"]
[4418,"CCCN(CC1CC1)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","26399-36-0","CCCN(CC1CC1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},347.1092906520004,"?"]
[4419,"CNC(=O)ON=CC1(C)SCC(C)S1","26419-73-8","CNC(=O)ON=CC1(C)SCC(C)S1","CNC(=O)ON=CC1(SC(CS1)C)C",{"$nulls":4},234.049669688,"?"]
[4420,"C*.O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1 |c:6,8,14,16,22,24,t:4,12,20,lp:2:2,4:2,11:2,18:2,m:1:6.7.8|","26444-49-5","*C","*C","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3",{"$nulls":3},{"$error":"#NUM!"},"Errors in neutralization"]
[4421,null,"26446-73-1",{"$nulls":7},""]
[4422,"CCCCCCCCN1SC=CC1=O","26530-20-1","CCCCCCCCn1sccc1=O","CCCCCCCCn1c(ccs1)=O",{"$nulls":4},213.118735228,"?"]
[4423,null,"26601-64-9",{"$nulls":7},""]
[4424,"CCOP(=O)(OCC)OCC(C)C","26628-97-7","CCOP(=O)(OCC)OCC(C)C","CCOP(=O)(OCC)OCC(C)C",{"$nulls":4},210.102095718,"?"]
[4425,null,"26638-19-7",{"$nulls":7},""]
[4426,"FC(F)OC(Cl)C(F)(F)F","26675-46-7","FC(F)OC(Cl)C(F)(F)F","FC(F)OC(Cl)C(F)(F)F",{"$nulls":4},183.971433464,"?"]
[4427,"CC(=O)C(CC(O)=O)=CC1=CC=CC=C1","26717-32-8","CC(=O)C(=Cc1ccccc1)CC(=O)O","CC(=O)C(=Cc1ccccc1)CC(=O)O",{"$nulls":4},204.078644244,"?"]
[4428,"COC(=O)C=C(C)OP(=O)(OC)OC","26718-65-0","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",{"$nulls":4},224.044974766,"?"]
[4429,null,"26763-63-3",{"$nulls":7},""]
[4430,null,"26767-88-4",{"$nulls":7},""]
[4431,"BrC1=CN=C(NC1=O)C1=CC=CC=C1","26786-28-7","O=c1[nH]c(-c2ccccc2)ncc1Br","O=c1c(cnc([nH]1)-c2ccccc2)Br",{"$nulls":4},249.974174944,"?"]
[4432,null,"26856-30-4",{"$nulls":7},""]
[4433,null,"26914-33-0",{"$nulls":7},""]
[4434,null,"26952-21-6",{"$nulls":7},""]
[4435,null,"26952-23-8",{"$nulls":7},""]
[4436,"CCCC(=O)OCCOCCOCCOC(=O)CCC","26962-26-5","CCCC(=O)OCCOCCOCCOC(=O)CCC","CCCC(=O)OCCOCCOCCOC(=O)CCC",{"$nulls":4},290.17293855200074,"?"]
[4437,"OC(N=C(O)C1=CN=CC=C1)=NC1=CC=CC=C1","26972-01-0","OC(=Nc1ccccc1)N=C(O)c1cccnc1","OC(=Nc1ccccc1)N=C(O)c2cnccc2",{"$nulls":4},241.085126592,"?"]
[4438,"CN1C(C)=NC2=C1N(C)C(=O)N(C)C2=O","27038-96-6","Cc1nc2c(=O)n(C)c(=O)n(C)c2n1C","Cc1n(c2c(n1)c(=O)n(C)c(=O)n2C)C",{"$nulls":4},208.096025624,"?"]
[4439,"CC(COCC(C)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1","27138-31-4","CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c1ccccc1","CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c2ccccc2",{"$nulls":4},342.14672380400066,"?"]
[4440,"NC1=CC=C(C=C1)S(=O)(=O)C1=CC=CC=C1N","27147-69-9","Nc1ccc(S(=O)(=O)c2ccccc2N)cc1","Nc1ccc(cc1)S(=O)(=O)c2c(cccc2)N",{"$nulls":4},248.061948624,"?"]
[4441,null,"27154-44-5",{"$nulls":7},""]
[4442,null,"27178-16-1",{"$nulls":7},""]
[4443,null,"27196-00-5",{"$nulls":7},""]
[4444,"CNC1=C(Cl)C(=O)N(N=C1)C1=CC=CC(=C1)C(F)(F)F","27314-13-2","CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl","CNc1c(c(n(nc1)-c2cc(ccc2)C(F)(F)F)=O)Cl",{"$nulls":4},303.03862424800025,"?"]
[4445,null,"27321-61-5",{"$nulls":7},""]
[4446,"ClC1=C(Cl)C(Cl)=C(Cl)C2=C1COC2=O","27355-22-2","O=C1OCc2c(Cl)c(Cl)c(Cl)c(Cl)c21","O=C1c2c(CO1)c(Cl)c(Cl)c(Cl)c2Cl",{"$nulls":4},269.88089002400005,"?"]
[4447,"CCOC(=O)CC1=C2C=C(Cl)C=CC2=NN1","27512-72-7","CCOC(=O)Cc1[nH]nc2ccc(Cl)cc12","CCOC(=O)Cc1c2c(n[nH]1)ccc(Cl)c2",{"$nulls":4},238.050905272,"?"]
[4448,"ClC(Cl)C(=O)NC1=C(Cl)C(=O)C2=CC=CC=C2C1=O","27541-88-4","O=C1C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c2ccccc21","O=C1c2c(C(C(=C1Cl)NC(=O)C(Cl)Cl)=O)cccc2",{"$nulls":4},316.9413260920001,"?"]
[4449,null,"27554-26-3",{"$nulls":7},""]
[4450,null,"27563-65-1",{"$nulls":7},""]
[4451,"C=CCOC1=NS(=O)(=O)C2=CC=CC=C12","27605-76-1","C=CCOC1=NS(=O)(=O)c2ccccc21","C=CCOC=1c2c(S(N1)(=O)=O)cccc2",{"$nulls":4},223.030314148,"?"]
[4452,null,"27762-78-3",{"$nulls":7},""]
[4453,null,"27858-07-7",{"$nulls":7},""]
[4454,"CCC(CC(CC)C(O)=O)C(O)=O","27899-21-4","CCC(CC(CC)C(=O)O)C(=O)O","CCC(CC(CC)C(=O)O)C(=O)O",{"$nulls":4},188.104858992,"?"]
[4455,null,"28022-64-2",{"$nulls":7},""]
[4456,"CC(C)*.O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1 |c:8,10,16,18,24,26,t:6,14,22,lp:4:2,6:2,13:2,20:2,m:3:15.16.17|","28108-99-8","*C(C)C","*C(C)C","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3",{"$nulls":3},{"$error":"#NUM!"},"?"]
[4457,"SC1=NC=C2N=CN=C2N1","28128-19-0","Sc1ncc2ncnc-2[nH]1","Sc1[nH]c2-c(cn1)ncn2",{"$nulls":4},152.015667128,"?"]
[4458,"OC1=C(C(C2=CC=CC=C2)=C(C=C1)N(=O)=O)N(=O)=O","28174-58-5","O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1-c1ccccc1","O=[N+]([O-])c1c(c(c(cc1)O)[N+](=O)[O-])-c2ccccc2",{"$nulls":4},260.04332135600015,"?"]
[4459,"CN(C)C(=S)NC1=C(C)C=C(Cl)C=C1","28217-97-2","Cc1cc(Cl)ccc1NC(=S)N(C)C","Cc1c(ccc(c1)Cl)NC(=S)N(C)C",{"$nulls":4},228.048797096,"?"]
[4460,"CCN(CC)C(=O)SCC1=CC=C(Cl)C=C1","28249-77-6","CCN(CC)C(=O)SCc1ccc(Cl)cc1","CCN(CC)C(=O)SCc1ccc(cc1)Cl",{"$nulls":4},257.064112812,"?"]
[4461,null,"28260-61-9",{"$nulls":7},""]
[4462,"ClC1=CC=CC(Cl)=C1OC1=CC=CC=C1","28419-69-4","Clc1cccc(Cl)c1Oc1ccccc1","Clc1c(c(ccc1)Cl)Oc2ccccc2",{"$nulls":4},237.995220236,"?"]
[4463,"CC(C)=C[CH]1[CH](C(=O)OCC2=COC(CC3=CC=CC=C3)=C2)C1(C)C","28434-01-7","CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C",{"$nulls":4},338.1881946920007,"?"]
[4464,"OC(=O)[CH]1CC[CH](SS1)C(O)=O","28463-60-7","O=C(O)C1CCC(C(=O)O)SS1","O=C(O)C1SSC(CC1)C(=O)O",{"$nulls":4},207.986400736,"?"]
[4465,"CN1C=C(C(=O)NC1=O)[N+]([O-])=O","28495-88-7","Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O","Cn1c([nH]c(c(c1)[N+](=O)[O-])=O)=O",{"$nulls":4},171.02800564,"?"]
[4466,"C*.C*.CCCCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCC |c:15,17,t:13,lp:12:2,14:2,22:2,23:2,m:1:24.25.26.27.28.29.30,3:5.6.7.8.9.10.11|","28553-12-0","*C","*C","C*","CCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC",null,null,{"$error":"#NUM!"},"Errors in neutralization"]
[4467,"CC(=O)[CH]1C[CH](C(O)=O)C1(C)C","28587-41-9","CC(=O)C1CC(C(=O)O)C1(C)C","CC(=O)C1C(C(C1)C(=O)O)(C)C",{"$nulls":4},170.094294308,"?"]
[4468,null,"28587-42-0",{"$nulls":7},""]
[4469,null,"28779-08-0",{"$nulls":7},""]
[4470,null,"29016-74-8",{"$nulls":7},""]
[4471,null,"29063-28-3",{"$nulls":7},""]
[4472,"CCN(CC)C1=C(C=C(C(N)=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","29091-05-2","CCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]","CCN(CC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]",{"$nulls":4},322.0888895560003,"?"]
[4473,"CCCN(CCC)C1=C(C(N)=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","29091-21-2","CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]","CCCN(CCC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]",{"$nulls":4},350.1201896840004,"?"]
[4474,"CCON=C(OC(=O)C1=CC=CC=C1)C1=C(OC)C=CC(Cl)=C1OC","29104-30-1","CCON=C(OC(=O)c1ccccc1)c1c(OC)ccc(Cl)c1OC","CCON=C(OC(=O)c1ccccc1)c2c(c(ccc2OC)Cl)OC",{"$nulls":4},363.08735035600046,"?"]
[4475,"CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1","29122-68-7","CC(C)NCC(O)COc1ccc(CC(N)=O)cc1","CC(C)NCC(O)COc1ccc(cc1)CC(N)=O",{"$nulls":4},266.1630425640003,"?"]
[4476,"CCC(CC)(C(N)=O)C(N)=O","29141-71-7","CCC(CC)(C(N)=O)C(N)=O","CCC(CC)(C(N)=O)C(N)=O",{"$nulls":4},158.105527688,"?"]
[4477,"COC(=O)N(C)C(=O)CSP(C)(=S)OC","29173-31-7","COC(=O)N(C)C(=O)CSP(C)(=S)OC","COC(=O)N(C)C(=O)CSP(C)(=S)OC",{"$nulls":4},271.0101865580004,"?"]
[4478,"CCN(CC)C1=NC(OP(=S)(OC)OC)=CC(C)=N1","29232-93-7","CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1","CCN(CC)c1nc(cc(n1)C)OP(=S)(OC)OC",{"$nulls":4},305.09629913000055,"?"]
[4479,null,"29253-36-9",{"$nulls":7},""]
[4480,null,"29354-98-1",{"$nulls":7},""]
[4481,"COC(=O)C1=CC(Br)=C(O)C=C1","29415-97-2","COC(=O)c1ccc(O)c(Br)c1","COC(=O)c1cc(c(cc1)O)Br",{"$nulls":4},229.957856184,"?"]
[4482,"ClC1=C(Cl)C=C2OC3=CC=CC=C3OC2=C1","29446-15-9","Clc1cc2c(cc1Cl)Oc1ccccc1O2","Clc1c(cc2c(c1)Oc3c(O2)cccc3)Cl",{"$nulls":4},251.974484792,"?"]
[4483,null,"29475-97-6",{"$nulls":7},""]
[4484,null,"29482-83-5",{"$nulls":7},""]
[4485,null,"29556-17-0",{"$nulls":7},""]
[4486,"ON(C(=O)C1=CC=CC=C1)C1=CC=CC2=CC=CC=C12","29556-18-1","O=C(c1ccccc1)N(O)c1cccc2ccccc12","O=C(c1ccccc1)N(O)c2c3c(ccc2)cccc3",{"$nulls":4},263.0946286560002,"?"]
[4487,"ON(C(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)C1=CC=CC=C1","29556-22-7","O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(O)c1ccccc1","O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N(O)c2ccccc2",{"$nulls":4},303.04913500800023,"?"]
[4488,null,"29588-10-1",{"$nulls":7},""]
[4489,"NC(=S)SCC(O)=O","29596-83-6","NC(=S)SCC(=O)O","NC(=S)SCC(=O)O",{"$nulls":4},150.9761704,"?"]
[4490,"OC(=O)CNC(=S)SCC(O)=O","29677-65-4","O=C(O)CNC(=S)SCC(=O)O","O=C(O)CNC(=S)SCC(=O)O",{"$nulls":4},208.981649704,"?"]
[4491,"OC(=NCCC1=CN=CN1)C1=CC=CC=C1","29677-71-2","OC(=NCCc1cnc[nH]1)c1ccccc1","OC(=NCCc1[nH]cnc1)c2ccccc2",{"$nulls":4},215.105862036,"?"]
[4492,"C*.CCCCCCCCCOP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 |c:16,18,24,26,t:14,22,lp:11:2,13:2,14:2,21:2,m:1:10.9.8.7.6.5.4.3|","29761-21-5","*C","*C","CCCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2",{"$nulls":3},{"$error":"#NUM!"},"Errors in neutralization"]
[4493,"CCCOCC(C)OCC(C)O","29911-27-1","CCCOCC(C)OCC(C)O","CCCOCC(C)OCC(C)O",{"$nulls":4},176.1412445,"?"]
[4494,"CCCCOCC(C)OCC(C)O","29911-28-2","CCCCOCC(C)OCC(C)O","CCCCOCC(C)OCC(C)O",{"$nulls":4},190.156894564,"?"]
[4495,null,"29919-17-3",{"$nulls":7},""]
[4496,"CCSCC1=C(OC(=O)NC)C=CC=C1","29973-13-5","CCSCc1ccccc1OC(=O)NC","CCSCc1c(cccc1)OC(=O)NC",{"$nulls":4},225.08234972,"?"]
[4497,null,"30031-64-2",{"$nulls":7},""]
[4498,"CCS(=O)(=O)C1=NN=C(S1)N(C)C(=O)NC","30043-49-3","CCS(=O)(=O)c1nnc(N(C)C(=O)NC)s1","CCS(=O)(=O)c1sc(nn1)N(C)C(=O)NC",{"$nulls":4},264.0350822440002,"?"]
[4499,null,"30129-83-0",{"$nulls":7},""]
[4500,null,"30236-28-3",{"$nulls":7},""]
[4501,"C[CH](OC1=CC(Cl)=C(Cl)C=C1Cl)C(O)=O","30365-50-5","CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O",{"$nulls":4},267.94607712400017,"?"]
[4502,null,"30368-49-1",{"$nulls":7},""]
[4503,null,"30368-50-4",{"$nulls":7},""]
[4504,"CCC1CCC(O)O1","30414-44-9","CCC1CCC(O)O1","CCC1OC(CC1)O",{"$nulls":4},116.083729624,"?"]
[4505,null,"30419-67-1",{"$nulls":7},""]
[4506,"CC1CCC2(CCC(C)O2)O1","30483-86-4","CC1CCC2(CCC(C)O2)O1","CC1OC2(CC1)OC(CC2)C",{"$nulls":4},156.115029752,"?"]
[4507,"CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO)O2)C(=O)NC1=O","30516-87-1","Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O","Cc1c([nH]c(n(c1)C2OC(C(C2)N=[N+]=[N-])CO)=O)=O",{"$nulls":4},267.09675389600034,"?"]
[4508,"OCCOCCOC(=O)C1=C(NC2=CC=CC(=C2)C(F)(F)F)C=CC=C1","30544-47-9","O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1","O=C(OCCOCCO)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F",{"$nulls":4},369.1187927160005,"?"]
[4509,"COP(=O)(NC(C)=O)SC","30560-19-1","COP(=O)(NC(C)=O)SC","COP(=O)(NC(C)=O)SC",{"$nulls":4},183.01190081,"?"]
[4510,"COC1=NC=NC2=C1N=CC=N2","30564-38-6","COc1ncnc2nccnc12","COc1c2c(ncn1)nccn2",{"$nulls":4},162.054160812,"?"]
[4511,null,"30725-71-4",{"$nulls":7},""]
[4512,"ClC1=C(Cl)C2=C(OC3=CC=CC=C3O2)C(Cl)=C1Cl","30746-58-8","Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1ccccc1O2","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)cccc3)Cl",{"$nulls":4},319.8965400880001,"?"]
[4513,null,"30777-18-5",{"$nulls":7},""]
[4514,null,"30777-19-6",{"$nulls":7},""]
[4515,null,"30864-28-9",{"$nulls":7},""]
[4516,"CN(CCO)C1=NC2=C(N1C)C(=O)N(C)C(=O)N2C","30924-31-3","CN(CCO)c1nc2c(c(=O)n(C)c(=O)n2C)n1C","CN(CCO)c1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",{"$nulls":4},267.1331394040003,"?"]
[4517,null,"30952-65-9",{"$nulls":7},""]
[4518,"CC(C)CNC(=O)N1CCNC1=O","30979-48-7","CC(C)CNC(=O)N1CCNC1=O","CC(C)CNC(=O)N1C(NCC1)=O",{"$nulls":4},185.11642672,"?"]
[4519,"CC1=CSC(=S)N1CC(O)=O","31090-12-7","Cc1csc(=S)n1CC(=O)O","Cc1n(c(sc1)=S)CC(=O)O",{"$nulls":4},188.991820464,"?"]
[4520,"CN(C(C)=O)C1=C(I)C(NC(C)=O)=C(I)C(C(=O)N[CH]2C(O)O[CH](CO)[CH](O)[CH]2O)=C1I","31112-62-6","CC(=O)Nc1c(I)c(C(=O)NC2C(O)OC(CO)C(O)C2O)c(I)c(N(C)C(C)=O)c1I","CC(=O)Nc1c(c(c(c(c1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(C)=O)I",{"$nulls":4},788.8541086640007,"?"]
[4521,"CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C","31218-83-4","CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C","CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C",{"$nulls":4},281.0850657500006,"?"]
[4522,null,"31293-71-7",{"$nulls":7},""]
[4523,null,"31355-01-8",{"$nulls":7},""]
[4524,"CCCCC(C)C(C)O","31367-46-1","CCCCC(C)C(C)O","CCCCC(C)C(C)O",{"$nulls":4},130.135765196,"?"]
[4525,"COC(=O)NC1=NC2=C(N1)C=CC(=C2)C(=O)C1=CC=CC=C1","31431-39-7","COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1","COC(=O)Nc1[nH]c2c(n1)cc(C(=O)c3ccccc3)cc2",{"$nulls":4},295.09569127600037,"?"]
[4526,"ClC1=CC(Cl)=C(C=C1Cl)C1=CC(Cl)=C(Cl)C=C1","31508-00-6","Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4527,"CC1=CC2=CC=CC3=C2C2=C(C=C3)C3=CC=CC=C3C=C12","31647-36-6","Cc1cc2cccc3ccc4c5ccccc5cc1c4c32","Cc1c2cc3c(c4ccc5cccc(c1)c5c42)cccc3",{"$nulls":4},266.1095504480003,"?"]
[4528,"CC(C)(O)CCCC1=CCC(CC1)C=O","31906-04-4","CC(C)(O)CCCC1=CCC(C=O)CC1","CC(C)(O)CCCC=1CCC(CC1)C=O",{"$nulls":4},210.161979944,"?"]
[4529,null,"32241-08-0",{"$nulls":7},""]
[4530,"NC1=C(O)C(O)=NC(=N)N1","32267-39-3","N=c1nc(O)c(O)c(N)[nH]1","N=c1[nH]c(c(c(n1)O)O)N",{"$nulls":4},142.049075432,"?"]
[4531,"OC(=O)C1=C(Cl)C(Cl)=C(Cl)O1","32417-81-5","O=C(O)c1oc(Cl)c(Cl)c1Cl","O=C(O)c1c(c(c(o1)Cl)Cl)Cl",{"$nulls":4},213.899126932,"?"]
[4532,"CCCCCCC(CC=CCCCCCCCC(O)=O)OS(O)(=O)=O","32430-00-5","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O",{"$nulls":4},378.2076098080009,"?"]
[4533,"COC1=CC2=C(NC(=O)C=C2C(O)=O)C=C1","32431-29-1","COc1ccc2[nH]c(=O)cc(C(=O)O)c2c1","COc1cc2c(cc1)[nH]c(=O)cc2C(=O)O",{"$nulls":4},219.053157768,"?"]
[4534,"O[CH]1O[CH]2[CH](O)C(=O)O[CH]2[CH]1O","32449-92-6","O=C1OC2C(O)C(O)OC2C1O","O=C1C(C2C(O1)C(O)C(O)O2)O",{"$nulls":4},176.032087976,"?"]
[4535,"OC(=O)C1=C(Br)C(Br)=CO1","32460-04-1","O=C(O)c1occ(Br)c1Br","O=C(O)c1c(c(co1)Br)Br",{"$nulls":4},267.83706812400004,"?"]
[4536,"CC1=CSC(=O)N1","32497-10-2","Cc1csc(=O)[nH]1","Cc1[nH]c(sc1)=O",{"$nulls":4},115.00918478,"?"]
[4537,"NC(C(O)C(O)=O)C(O)=N","32503-98-3","N=C(O)C(N)C(O)C(=O)O","N=C(O)C(N)C(O)C(=O)O",{"$nulls":4},148.048406736,"?"]
[4538,"CCC1=CN=C(O)NC1=N","32550-24-6","CCc1cnc(O)[nH]c1=N","CCc1c([nH]c(nc1)O)=N",{"$nulls":4},139.074561908,"?"]
[4539,"ClC1=CC(Cl)=C(C=C1)C1=CC(Cl)=C(Cl)C=C1","32598-10-0","Clc1ccc(-c2ccc(Cl)c(Cl)c2)c(Cl)c1","Clc1cc(c(cc1)-c2cc(c(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4540,"ClC1=CC(=C(Cl)C=C1)C1=CC(Cl)=C(Cl)C=C1","32598-11-1","Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4541,"ClC1=CC=C(C=C1)C1=C(Cl)C=C(Cl)C=C1Cl","32598-12-2","Clc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(cc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4542,"ClC1=C(Cl)C=C(C=C1)C1=CC(Cl)=C(Cl)C=C1","32598-13-3","Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1Cl","Clc1c(cc(cc1)-c2cc(c(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4543,"ClC1=C(Cl)C=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1","32598-14-4","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4544,null,"32620-68-1",{"$nulls":7},""]
[4545,null,"32620-72-7",{"$nulls":7},""]
[4546,"ClC1=CC=C(C=C1)C1=C(Cl)C=C(Cl)C(Cl)=C1","32690-93-0","Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4547,"OC(=O)[CH]1CC[CH](SS1)C(O)=O","32737-66-9","O=C(O)C1CCC(C(=O)O)SS1","O=C(O)C1SSC(CC1)C(=O)O",{"$nulls":4},207.986400736,"?"]
[4548,null,"32754-29-3",{"$nulls":7},""]
[4549,"ClC1=CC(=CC(Cl)=C1Cl)C1=CC(Cl)=C(Cl)C(Cl)=C1","32774-16-6","Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2cc(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4550,"CC12CC1(C)C(=O)N(C2=O)C1=CC(Cl)=CC(Cl)=C1","32809-16-8","CC12CC1(C)C(=O)N(c1cc(Cl)cc(Cl)c1)C2=O","CC12C(C1)(C)C(=O)N(c3cc(cc(c3)Cl)Cl)C2=O",{"$nulls":4},283.01668395200034,"?"]
[4551,"COC1=C(C=CC(OC2=C(Cl)C=C(Cl)C=C2)=C1)[N+]([O-])=O","32861-85-1","COc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]","COc1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]",{"$nulls":4},312.9908631280002,"?"]
[4552,"OC(=O)C=CC1=CC(Br)=CC=C1","32862-97-8","O=C(O)C=Cc1cccc(Br)c1","O=C(O)C=Cc1cc(ccc1)Br",{"$nulls":4},225.962941564,"?"]
[4553,"ClC1=CC=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1","33025-41-1","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4554,"CN(C=NC1=C(C)C=C(C)C=C1)C=NC1=C(C)C=C(C)C=C1","33089-61-1","Cc1ccc(N=CN(C)C=Nc2ccc(C)cc2C)c(C)c1","Cc1cc(c(cc1)N=CN(C)C=Nc2c(cc(cc2)C)C)C",{"$nulls":4},293.18919773600066,"?"]
[4555,"ClC1=CC(Cl)=C(Cl)C(Cl)=C1C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","33091-17-7","Clc1cc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4556,"CCC1=CC=CC=C1NC(C)=O","33098-65-6","CCc1ccccc1NC(C)=O","CCc1c(cccc1)NC(C)=O",{"$nulls":4},163.099714036,"?"]
[4557,"ClC1=CC=CC(Cl)=C1C1=CC=CC=C1","33146-45-1","Clc1cccc(Cl)c1-c1ccccc1","Clc1c(c(ccc1)Cl)-c2ccccc2",{"$nulls":4},222.000305616,"?"]
[4558,"ClC1=C(Cl)[C]2(Cl)[CH]3COS(=O)OC[CH]3[C]1(Cl)C2(Cl)Cl","33213-65-9","O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},403.81688113200016,"?"]
[4559,"CCCN(CCCl)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","33245-39-5","CCCN(CCCl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},355.05466823600034,"?"]
[4560,"ClC1=CC(Cl)=C(C=C1)C1=CC=CC=C1","33284-50-3","Clc1ccc(-c2ccccc2)c(Cl)c1","Clc1cc(c(cc1)-c2ccccc2)Cl",{"$nulls":4},222.000305616,"?"]
[4561,"ClC1=CC(=CC(Cl)=C1)C1=CC(Cl)=CC(Cl)=C1","33284-52-5","Clc1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4562,"ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=CC=CC=C1","33284-53-6","Clc1cc(-c2ccccc2)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2ccccc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4563,"ClC1=CC(Cl)=C(Cl)C(=C1Cl)C1=CC=CC=C1","33284-54-7","Clc1cc(Cl)c(Cl)c(-c2ccccc2)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2ccccc2)Cl",{"$nulls":4},289.92236091200016,"?"]
[4564,"CCCC1(CC)C(=O)NC(=O)NC1=O","33376-25-9","CCCC1(CC)C(=O)NC(=O)NC1=O","CCCC1(C(NC(NC1=O)=O)=O)CC",{"$nulls":4},198.100442308,"?"]
[4565,null,"33423-92-6",{"$nulls":7},""]
[4566,null,"33492-49-8",{"$nulls":7},""]
[4567,null,"33601-90-0",{"$nulls":7},""]
[4568,"CCC(C)NC1=C(C=C(C=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O","33629-47-9","CCC(C)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]","CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]",{"$nulls":4},295.15320615200056,"?"]
[4569,"CCNC1=NC(OC)=NC(NC(C)(C)C)=N1","33693-04-8","CCNc1nc(NC(C)(C)C)nc(OC)n1","CCNc1nc(nc(n1)NC(C)(C)C)OC",{"$nulls":4},225.15896022799998,"?"]
[4570,"CC(=O)C1=CC(O)=C(O)C(O)=C1","33709-29-4","CC(=O)c1cc(O)c(O)c(O)c1","CC(=O)c1cc(c(c(c1)O)O)O",{"$nulls":4},168.042258736,"?"]
[4571,null,"33739-01-4",{"$nulls":7},""]
[4572,"CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(C)C)[N+]([O-])=O","33820-53-0","CCCN(CCC)c1c([N+](=O)[O-])cc(C(C)C)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-]",{"$nulls":4},309.1688562160006,"?"]
[4573,"ClC1=CC2=C(OC3=C(O2)C=CC(Cl)=C3)C=C1","33857-26-0","Clc1ccc2c(c1)Oc1ccc(Cl)cc1O2","Clc1cc2c(cc1)Oc3c(O2)ccc(Cl)c3",{"$nulls":4},251.974484792,"?"]
[4574,"NNP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1","33862-44-1","NNP(=O)(Oc1ccccc1)Oc1ccccc1","NNP(=O)(Oc1ccccc1)Oc2ccccc2",{"$nulls":4},264.06637890600024,"?"]
[4575,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=C(Cl)C=C(Cl)C=C1Cl","33979-03-2","Clc1cc(Cl)c(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4576,"CNC(=O)N(C)C1=NN=C(S1)C(C)(C)C","34014-18-1","CNC(=O)N(C)c1nnc(C(C)(C)C)s1","CNC(=O)N(C)c1sc(nn1)C(C)(C)C",{"$nulls":4},228.104482132,"?"]
[4577,null,"34097-60-4",{"$nulls":7},""]
[4578,"CCSC(=S)N[CH](C)C(O)=O","34101-08-1","CCSC(=S)NC(C)C(=O)O","CCSC(=S)NC(C)C(=O)O",{"$nulls":4},193.023120592,"?"]
[4579,"CC(C)C1=CC=C(NC(=O)N(C)C)C=C1","34123-59-6","CC(C)c1ccc(NC(=O)N(C)C)cc1","CC(C)c1ccc(cc1)NC(=O)N(C)C",{"$nulls":4},206.141913196,"?"]
[4580,"OC(=O)C1=CC(Br)=CC(C(O)=O)=C1C(O)=O","34163-34-3","O=C(O)c1cc(Br)cc(C(=O)O)c1C(=O)O","O=C(O)c1c(c(cc(c1)Br)C(=O)O)C(=O)O",{"$nulls":4},287.92694998000013,"?"]
[4581,null,"34168-73-5",{"$nulls":7},""]
[4582,"COC1=CC=C(C=C1)C(C(C)N(=O)=O)C1=CC=C(OC)C=C1","34197-26-7","COc1ccc(C(c2ccc(OC)cc2)C(C)[N+](=O)[O-])cc1","COc1ccc(cc1)C(c2ccc(cc2)OC)C(C)[N+](=O)[O-]",{"$nulls":4},301.1314080880005,"?"]
[4583,"CN(C)C(O)=NC1=CC(Cl)=C(C=C1)N1N=C(OC1=O)C(C)(C)C","34205-21-5","CN(C)C(O)=Nc1ccc(-n2nc(C(C)(C)C)oc2=O)c(Cl)c1","CN(C)C(O)=Nc1cc(c(cc1)-n2c(oc(n2)C(C)(C)C)=O)Cl",{"$nulls":4},338.1145681480005,"?"]
[4584,"CCOCN(C(=O)CCl)C1=C(CC)C=CC=C1C","34256-82-1","CCOCN(C(=O)CCl)c1c(C)cccc1CC","CCOCN(C(=O)CCl)c1c(cccc1C)CC",{"$nulls":4},269.11825656000036,"?"]
[4585,null,"34364-42-6",{"$nulls":7},""]
[4586,null,"34392-82-0",{"$nulls":7},""]
[4587,"ClC1=CC(Br)=C(OC(=O)C=C)C2=C1C=CC=N2","34462-96-9","C=CC(=O)Oc1c(Br)cc(Cl)c2cccnc12","C=CC(=O)Oc1c2c(c(cc1Br)Cl)cccn2",{"$nulls":4},310.93486824400026,"?"]
[4588,null,"34465-46-8",{"$nulls":7},""]
[4589,null,"34472-57-6",{"$nulls":7},""]
[4590,null,"34494-03-6",{"$nulls":7},""]
[4591,null,"34590-94-8",{"$nulls":7},""]
[4592,"CCN(CC)C(=O)SCC1=CC=CC=C1Cl","34622-58-7","CCN(CC)C(=O)SCc1ccccc1Cl","CCN(CC)C(=O)SCc1c(cccc1)Cl",{"$nulls":4},257.064112812,"?"]
[4593,"CCCSP(=S)(OCC)OC1=C(Cl)C=C(Cl)C=C1","34643-46-4","CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl","CCCSP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl",{"$nulls":4},343.96281371000043,"?"]
[4594,"CNC(=O)ON=C(C)C(C)SC","34681-10-2","CNC(=O)ON=C(C)C(C)SC","CNC(=O)ON=C(C)C(C)SC",{"$nulls":4},190.077598688,"?"]
[4595,"CNC(=O)ON=C(C)C(C)S(C)(=O)=O","34681-23-7","CNC(=O)ON=C(C)C(C)S(C)(=O)=O","CNC(=O)ON=C(C)C(C)S(C)(=O)=O",{"$nulls":4},222.067427928,"?"]
[4596,null,"34783-40-9",{"$nulls":7},""]
[4597,null,"34833-00-6",{"$nulls":7},""]
[4598,null,"34861-84-2",{"$nulls":7},""]
[4599,null,"34866-32-5",{"$nulls":7},""]
[4600,"ClC1=CC(=C(Cl)C=C1)C1=CC=CC=C1","34883-39-1","Clc1ccc(Cl)c(-c2ccccc2)c1","Clc1cc(c(cc1)Cl)-c2ccccc2",{"$nulls":4},222.000305616,"?"]
[4601,"ClC1=CC=C(C=C1)C1=C(Cl)C=CC=C1","34883-43-7","Clc1ccc(-c2ccccc2Cl)cc1","Clc1ccc(cc1)-c2c(cccc2)Cl",{"$nulls":4},222.000305616,"?"]
[4602,"CC(C)OC(=O)C(C)(C)O","34900-10-2","CC(C)OC(=O)C(C)(C)O","CC(C)OC(=O)C(C)(C)O",{"$nulls":4},146.094294308,"?"]
[4603,"OC(=O)CSC(SCC(O)=O)SCC(O)=O","34914-39-1","O=C(O)CSC(SCC(=O)O)SCC(=O)O","O=C(O)CSC(SCC(=O)O)SCC(=O)O",{"$nulls":4},285.96395104000027,"?"]
[4604,"ClC1=CC(Cl)=C(C=C1Cl)C1=CC(Cl)=C(Cl)C=C1Cl","35065-27-1","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4605,"ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1","35065-28-2","Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4606,"ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1","35065-29-3","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4607,"ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1","35065-30-6","Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4608,"C[CH](NC1=CC=CC=C1Cl)C(O)=O","35224-54-5","CC(Nc1ccccc1Cl)C(=O)O","CC(Nc1c(cccc1)Cl)C(=O)O",{"$nulls":4},199.04000624,"?"]
[4609,"CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C","35256-85-0","CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C","CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C",{"$nulls":4},233.177964356,"?"]
[4610,"OC(=O)CCCNC(=O)C1=CC=CC=C1","35340-63-7","O=C(O)CCCNC(=O)c1ccccc1","O=C(O)CCCNC(=O)c1ccccc1",{"$nulls":4},207.089543276,"?"]
[4611,"FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C=C1","35367-38-5","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)cc1","O=C(NC(=O)c1c(cccc1F)F)Nc2ccc(cc2)Cl",{"$nulls":4},310.03206164800025,"?"]
[4612,null,"35392-80-4",{"$nulls":7},""]
[4613,null,"35400-43-2",{"$nulls":7},""]
[4614,"CC1=CC(O)=C(C=C1Cl)C(O)=O","35458-35-6","Cc1cc(O)c(C(=O)O)cc1Cl","Cc1c(cc(c(c1)O)C(=O)O)Cl",{"$nulls":4},186.008371764,"?"]
[4615,"ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC=C","35554-44-0","C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl","C=CCOC(Cn1cncc1)c2c(cc(cc2)Cl)Cl",{"$nulls":4},296.04831842800036,"?"]
[4616,"C[CH](NC(=O)[CH](C)NC(=O)[CH](N)CCP(C)(O)=O)C(O)=O","35597-43-4","CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O","CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O",{"$nulls":4},323.12462205400055,"?"]
[4617,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=CC=CC=C1","35693-92-6","Clc1cc(Cl)c(-c2ccccc2)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2ccccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4618,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C=CC(Cl)=C1","35693-99-3","Clc1ccc(Cl)c(-c2cc(Cl)ccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(ccc(c2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4619,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1","35694-06-5","Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4620,"ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1","35694-08-7","Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4621,null,"35763-45-2",{"$nulls":7},""]
[4622,null,"35781-54-5",{"$nulls":7},""]
[4623,"ClC1=C(Cl)C(Cl)=C2OC3=C(OC2=C1)C(Cl)=C(Cl)C(Cl)=C3Cl","35822-46-9","Clc1cc2c(c(Cl)c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(c(c2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",{"$nulls":4},421.779623032,"?"]
[4624,null,"36088-22-9",{"$nulls":7},""]
[4625,"CN1C(C(=O)NC2=NC=CC=C2)=C(O)C2=C(C=CC=C2)S1(=O)=O","36322-90-4","CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O","CN1S(c2c(C(=C1C(=O)Nc3ncccc3)O)cccc2)(=O)=O",{"$nulls":4},331.0626768960003,"?"]
[4626,"OC(=O)CCC(=O)C1=CC=C(C=C1)C1=CC=CC=C1","36330-85-5","O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1","O=C(O)CCC(=O)c1ccc(cc1)-c2ccccc2",{"$nulls":4},254.094294308,"?"]
[4627,"CCOP(=S)(NC(C)CC)OC1=C(C=CC(C)=C1)[N+]([O-])=O","36335-67-8","CCOP(=S)(NC(C)CC)Oc1cc(C)ccc1[N+](=O)[O-]","CCOP(=S)(NC(C)CC)Oc1c(ccc(c1)C)[N+](=O)[O-]",{"$nulls":4},332.0959647820005,"?"]
[4628,"Cl*.Cl*.C1=CC=C(C=C1)C1=CC=CC=C1 |c:2,4,6,11,13,t:9,lp:0:3,2:3,m:1:11.12.13.14.15,3:4.5.6.8.9,Sg:n:0:x:ht,Sg:n:2:y:ht|","36355-01-8","*Cl","*Cl","Cl*","c1ccc(cc1)-c2ccccc2",null,null,{"$error":"#NUM!"},"Errors in neutralization"]
[4629,"[*]C1=C([*])C([*])=C(OC2=C([*])C([*])=C([*])C([*])=C2[*])C([*])=C1[*] |$_R1;;;_R1;;_R1;;;;;_R1;;_R1;;_R1;;_R1;;_R1;;_R1;;_R1$,c:1,8,16,21,t:5,12,lp:7:2,RG:_R1={Br* |$;_AP1$,lp:0:2|},LOG={_R1:;H;6}|","36483-60-0","*c1c(*)c(*)c(Oc2c(*)c(*)c(*)c(*)c2*)c(*)c1*","*c1c(*)c(*)c(Oc2c(*)c(*)c(*)c(*)c2*)c(*)c1*",{"$nulls":4},{"$error":"#NUM!"},"Errors in neutralization"]
[4630,"CCOP(=O)(OC1=C(Cl)C=C(Cl)C=C1)OC1=C(Cl)C=C(Cl)C=C1","36519-00-3","CCOP(=O)(Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl","CCOP(=O)(Oc1c(cc(cc1)Cl)Cl)Oc2c(cc(cc2)Cl)Cl",{"$nulls":4},413.91490618200027,"?"]
[4631,"ClC1=CC(Cl)=C(C=C1)C1=CC=CC(Cl)=C1Cl","36559-22-5","Clc1ccc(-c2cccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(ccc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4632,null,"36566-80-0",{"$nulls":7},""]
[4633,"COP(=S)(OC)SCCSC(C)C","36614-38-7","COP(=S)(OC)SCCSC(C)C","COP(=S)(OC)SCCSC(C)C",{"$nulls":4},260.0128294140001,"?"]
[4634,null,"36634-48-7",{"$nulls":7},""]
[4635,"CCCCCCCCCCCCCCCCO","36653-82-4","CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCO",{"$nulls":4},242.260965708,"?"]
[4636,"CC(C)NC(=O)N1CC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1","36734-19-7","CC(C)NC(=O)N1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CC(C)NC(=O)N1C(N(C(C1)=O)c2cc(cc(c2)Cl)Cl)=O",{"$nulls":4},329.03339663600036,"?"]
[4637,"CCC(C)N(C(C)CC)C(=O)SCC1=CC=CC=C1","36756-79-3","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC",{"$nulls":4},279.1656854200006,"?"]
[4638,null,"36765-01-2",{"$nulls":7},""]
[4639,"NC(=O)C1=NN(C=N1)[CH]1O[CH](CO)[CH](O)[CH]1O","36791-04-5","NC(=O)c1ncn(C2OC(CO)C(O)C2O)n1","NC(=O)c1nn(cn1)C2C(C(C(O2)CO)O)O",{"$nulls":4},244.080769484,"?"]
[4640,"CC(CCC1=CC=CC=C1)NCC(O)C1=CC=C(O)C(=C1)C(N)=O","36894-69-6","CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1","CC(CCc1ccccc1)NCC(O)c2cc(c(cc2)O)C(N)=O",{"$nulls":4},328.1786926280007,"?"]
[4641,"CCCCCCCCCOC(=O)C1=CC=C(N)C=C1","37139-21-2","CCCCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCCCOC(=O)c1ccc(cc1)N",{"$nulls":4},263.1885290400002,"?"]
[4642,"OC[CH]1C[CH](N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O","37248-47-8","OCC1=CC(NC2CC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O","OCC=1C(C(C(C(C1)NC2C(C(C(C(C2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O",{"$nulls":4},497.21084018000084,"?"]
[4643,"COCCC1=CC=C(OCC(O)CNC(C)C)C=C1","37350-58-6","COCCc1ccc(OCC(O)CNC(C)C)cc1","COCCc1ccc(cc1)OCC(O)CNC(C)C",{"$nulls":4},267.1834436600003,"?"]
[4644,"ON(C(=O)C1=CC=CC=C1I)C1=CC=CC=C1","37433-80-0","O=C(c1ccccc1I)N(O)c1ccccc1","O=C(c1c(cccc1)I)N(O)c2ccccc2",{"$nulls":4},338.97562656000025,"?"]
[4645,"NCC[CH](O)C(=O)N[CH]1C[CH](N)[CH](O[CH]2O[CH](CN)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O[CH]1O[CH](CO)[CH](O)[CH](N)[CH]1O","37517-28-5","NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O","NCCC(O)C(=O)NC1C(C(C(C(C1)N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O",{"$nulls":4},585.285736436001,"?"]
[4646,"NC(=O)NC(CC1=CC=CC=C1)C(O)=O","37534-65-9","NC(=O)NC(Cc1ccccc1)C(=O)O","NC(=O)NC(Cc1ccccc1)C(=O)O",{"$nulls":4},208.084792244,"?"]
[4647,"O=C1N=CNC2=C1N=CC=C2","37538-67-3","O=c1nc[nH]c2cccnc12","O=c1c2c([nH]cn1)cccn2",{"$nulls":4},147.04326178,"?"]
[4648,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C=CC=C1","37680-65-2","Clc1ccc(Cl)c(-c2ccccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4649,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C=CC=C1","37680-66-3","Clc1ccc(-c2ccccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4650,"ClC1=CC(=CC(Cl)=C1)C1=C(Cl)C=CC=C1","37680-68-5","Clc1cc(Cl)cc(-c2ccccc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4651,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C=C(Cl)C(Cl)=C1","37680-73-2","Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4652,"ClC(Cl)C(=O)N(CC=C)CC=C","37764-25-3","C=CCN(CC=C)C(=O)C(Cl)Cl","C=CCN(CC=C)C(=O)C(Cl)Cl",{"$nulls":4},207.021769332,"?"]
[4653,"C[CH](CCl)[N+]([O-])=O","37809-02-2","CC(CCl)[N+](=O)[O-]","CC(CCl)[N+](=O)[O-]",{"$nulls":4},123.008706112,"?"]
[4654,"BrC1=CC(Br)=C(OCCOC2=C(Br)C=C(Br)C=C2Br)C(Br)=C1","37853-59-1","Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1","Brc1cc(c(c(c1)Br)OCCOc2c(cc(cc2Br)Br)Br)Br",{"$nulls":4},681.5624520960004,"?"]
[4655,null,"37871-00-4",{"$nulls":7},""]
[4656,"COCCO[Si](CCCl)(OCCOC)OCCOC","37894-46-5","COCCO[Si](CCCl)(OCCOC)OCCOC","COCCO[Si](CCCl)(OCCOC)OCCOC",{"$nulls":4},316.11089273000067,"?"]
[4657,"CC1=CC(=CC=C1NS(=O)(=O)C(F)(F)F)S(=O)(=O)C1=CC=CC=C1","37924-13-3","Cc1cc(S(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)C(F)(F)F","Cc1c(ccc(c1)S(=O)(=O)c2ccccc2)NS(=O)(=O)C(F)(F)F",{"$nulls":4},379.01598452400026,"?"]
[4658,null,"37962-15-5",{"$nulls":7},""]
[4659,"CCOC(=O)C1=CNC(=S)NC1=O","38026-46-9","CCOC(=O)c1c[nH]c(=S)[nH]c1=O","CCOC(=O)c1c([nH]c([nH]c1)=S)=O",{"$nulls":4},200.025563116,"?"]
[4660,null,"38062-65-6",{"$nulls":7},""]
[4661,"CC(C)C[CH](N)C(O)=N[CH](CCC(O)=N)C(O)=O","38062-69-0","CC(C)CC(N)C(O)=NC(CCC(=N)O)C(=O)O","CC(C)CC(N)C(O)=NC(CCC(=N)O)C(=O)O",{"$nulls":4},259.1532061520001,"?"]
[4662,"C[C](O)(CO)[CH](O)[C]12NC(=O)[C](O)(NC1=O)C(=C)CCO2","38129-37-2","C=C1CCOC2(C(O)C(C)(O)CO)NC(=O)C1(O)NC2=O","C=C1C2(C(NC(OCC1)(C(N2)=O)C(O)C(C)(O)CO)=O)O",{"$nulls":4},302.1114009160005,"?"]
[4663,"CC1=CC(C)=C(OCC(O)=O)C(Br)=C1","38206-98-3","Cc1cc(C)c(OCC(=O)O)c(Br)c1","Cc1cc(c(c(c1)C)OCC(=O)O)Br",{"$nulls":4},257.98915631200003,"?"]
[4664,"CCOC1=CC(OP(=S)(OC)OC)=NC(CC)=N1","38260-54-7","CCOc1cc(OP(=S)(OC)OC)nc(CC)n1","CCOc1nc(nc(c1)OP(=S)(OC)OC)CC",{"$nulls":4},292.0646646540005,"?"]
[4665,"NC1=CC(=NC(N)=[N+]1[O-])N1CCCCC1","38304-91-5","Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]","Nc1[n+](c(nc(c1)N2CCCCC2)N)[O-]",{"$nulls":4},209.12766009999999,"?"]
[4666,"CC(C)(C)NC[CH](O)COC1=CC=CC=C1C1CCCC1","38363-40-5","CC(C)(C)NCC(O)COc1ccccc1C1CCCC1","CC(C)(C)NCC(O)COc1c(cccc1)C2CCCC2",{"$nulls":4},291.21982916800084,"?"]
[4667,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C(Cl)=CC=C1Cl","38379-99-6","Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4668,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C=C(Cl)C(Cl)=C1","38380-01-7","Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4669,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1","38380-02-8","Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4670,"ClC1=CC=C(Cl)C(=C1Cl)C1=CC(Cl)=C(Cl)C=C1","38380-03-9","Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4671,"ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=CC=C1Cl","38380-04-0","Clc1cc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4672,"ClC1=CC=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1","38380-05-1","Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4673,"ClC1=C(Cl)C(Cl)=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1","38380-07-3","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4674,"ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=CC(Cl)=C(Cl)C=C1","38380-08-4","Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4675,"ClC1=CC=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=CC=C1Cl","38411-22-2","Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4676,"ClC1=CC=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1","38411-25-5","Clc1cc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4677,"ClC1=CC=CC(Cl)=C1C1=C(Cl)C=CC=C1","38444-73-4","Clc1ccccc1-c1c(Cl)cccc1Cl","Clc1c(cccc1)-c2c(cccc2Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4678,"ClC1=CC=CC(=C1)C1=C(Cl)C=CC=C1Cl","38444-76-7","Clc1cccc(-c2c(Cl)cccc2Cl)c1","Clc1cc(ccc1)-c2c(cccc2Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4679,"ClC1=CC=C(C=C1)C1=C(Cl)C=CC=C1Cl","38444-77-8","Clc1ccc(-c2c(Cl)cccc2Cl)cc1","Clc1ccc(cc1)-c2c(cccc2Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4680,"ClC1=CC=CC(=C1Cl)C1=C(Cl)C=CC=C1","38444-78-9","Clc1ccccc1-c1cccc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(ccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4681,"ClC1=CC(=C(Cl)C=C1)C1=CC(Cl)=CC=C1","38444-81-4","Clc1cccc(-c2cc(Cl)ccc2Cl)c1","Clc1cc(ccc1)-c2c(ccc(c2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4682,"ClC1=CC=C(C=C1)C1=C(Cl)C(Cl)=CC=C1","38444-85-8","Clc1ccc(-c2cccc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(ccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4683,"ClC1=C(Cl)C=C(C=C1)C1=C(Cl)C=CC=C1","38444-86-9","Clc1ccc(-c2ccccc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4684,"ClC1=CC=C(C=C1)C1=CC(Cl)=C(Cl)C=C1","38444-90-5","Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1","Clc1ccc(cc1)-c2cc(c(cc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4685,"ClC1=CC=CC(=C1Cl)C1=C(Cl)C(Cl)=CC=C1","38444-93-8","Clc1cccc(-c2cccc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(ccc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4686,"CC1=NC2=C(O)C=CC(=C2C=C1)N(=O)=O","38543-66-7","Cc1ccc2c([N+](=O)[O-])ccc(O)c2n1","Cc1nc2c(cc1)c([N+](=O)[O-])ccc2O",{"$nulls":4},204.053492116,"?"]
[4687,"CC(S(C)(=O)=O)S(C)(=O)=O","38564-69-1","CC(S(C)(=O)=O)S(C)(=O)=O","CC(S(C)(=O)=O)S(C)(=O)=O",{"$nulls":4},186.0020508,"?"]
[4688,"CC1=C(CC(O)=O)C(=O)NC(=O)N1","38580-22-2","Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)O","Cc1c(c([nH]c([nH]1)=O)=O)CC(=O)O",{"$nulls":4},184.048406736,"?"]
[4689,"CC(C)(NC(N)=O)C(O)=O","38605-63-9","CC(C)(NC(N)=O)C(=O)O","CC(C)(NC(N)=O)C(=O)O",{"$nulls":4},146.06914218,"?"]
[4690,null,"38624-46-3",{"$nulls":7},""]
[4691,null,"38640-62-9",{"$nulls":7},""]
[4692,null,"38641-94-0",{"$nulls":7},""]
[4693,"CCOC(=O)CN(C(=O)CCl)C1=C(CC)C=CC=C1CC","38727-55-8","CCOC(=O)CN(C(=O)CCl)c1c(CC)cccc1CC","CCOC(=O)CN(C(=O)CCl)c1c(cccc1CC)CC",{"$nulls":4},311.1288212440006,"?"]
[4694,"CC(C)SS(=O)C(C)C","38739-06-9","CC(C)SS(=O)C(C)C","CC(C)SS(=O)C(C)C",{"$nulls":4},166.048607068,"?"]
[4695,null,"38753-34-3",{"$nulls":7},""]
[4696,"OC(=O)C1CCCC=C1C(O)=O","38765-78-5","O=C(O)C1=CCCCC1C(=O)O","O=C(O)C=1C(CCCC1)C(=O)O",{"$nulls":4},170.0579088,"?"]
[4697,null,"38771-96-9",{"$nulls":7},""]
[4698,"CC1=C(N2[CH](SC1)[CH](NC(=O)[CH](N)C1=CCC=CC1)C2=O)C(O)=O","38821-53-3","CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)C3=CCC=CC3)C2SC1","CC=1CSC2N(C1C(=O)O)C(=O)C2NC(=O)C(N)C=3CC=CCC3",{"$nulls":4},349.1096270880004,"?"]
[4699,"CC(C)(O)CC(C)(O)C1=CC=CC2=CC=CC=C12","38836-20-3","CC(C)(O)CC(C)(O)c1cccc2ccccc12","CC(C)(O)CC(C)(O)c1c2c(ccc1)cccc2",{"$nulls":4},244.14632988,"?"]
[4700,null,"38964-22-6",{"$nulls":7},""]
[4701,null,"38996-13-3",{"$nulls":7},""]
[4702,"ClC1=C2OC3=C(C2=C(Cl)C(Cl)=C1Cl)C(Cl)=C(Cl)C(Cl)=C3Cl","39001-02-0","Clc1c(Cl)c(Cl)c2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c32)c1Cl","Clc1c(c2c(c(c1Cl)Cl)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",{"$nulls":4},439.74573606,"?"]
[4703,"OC(=O)C(I)=CBr","39121-35-2","O=C(O)C(I)=CBr","O=C(O)C(I)=CBr",{"$nulls":4},275.8282894040001,"?"]
[4704,"[Al+3].CCOP([O-])=O.CCOP([O-])=O.CCOP([O-])=O","39148-24-8","CCO[PH](=O)[O-]","CCOP(=O)O","CCOP([O-])=O","CCOP([O-])=O","[Al+3]",null,353.997905676,"Structure has been neutralized"]
[4705,"CNC(=O)ON=C(CSC)C(C)(C)C","39196-18-4","CNC(=O)ON=C(CSC)C(C)(C)C","CNC(=O)ON=C(CSC)C(C)(C)C",{"$nulls":4},218.108898816,"?"]
[4706,"ClC1=C(Cl)C=C2OC3=C(OC2=C1)C(Cl)=C(Cl)C(Cl)=C3Cl","39227-28-6","Clc1cc2c(cc1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",{"$nulls":4},387.81859538400005,"?"]
[4707,"ClC1=CC=CC2=C1OC1=CC=CC=C1O2","39227-53-7","Clc1cccc2c1Oc1ccccc1O2","Clc1c2c(ccc1)Oc3c(O2)cccc3",{"$nulls":4},218.013457144,"?"]
[4708,"ClC1=CC2=C(OC3=CC=CC=C3O2)C=C1","39227-54-8","Clc1ccc2c(c1)Oc1ccccc1O2","Clc1cc2c(cc1)Oc3c(O2)cccc3",{"$nulls":4},218.013457144,"?"]
[4709,"ClC1=CC(Cl)=C(Cl)C2=C1OC1=CC=CC=C1O2","39227-58-2","Clc1cc(Cl)c2c(c1Cl)Oc1ccccc1O2","Clc1c(c2c(c(c1)Cl)Oc3c(O2)cccc3)Cl",{"$nulls":4},285.9355124400001,"?"]
[4710,"ClC1=CC=C2OC3=C(OC2=C1)C(Cl)=C(Cl)C(Cl)=C3Cl","39227-61-7","Clc1ccc2c(c1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1cc2c(cc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl",{"$nulls":4},353.8575677360001,"?"]
[4711,null,"39300-45-3",{"$nulls":7},""]
[4712,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C=C(Cl)C=C1Cl","39485-83-1","Clc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4713,"CC(C)=CC1C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C","39515-40-7","CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C",{"$nulls":4},375.1834436600007,"?"]
[4714,"CC1(C)C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C","39515-41-8","CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C",{"$nulls":4},349.16779359600065,"?"]
[4715,"CCC(CCC(O)=O)C(C)=O","39517-97-0","CCC(CCC(=O)O)C(C)=O","CCC(CCC(=O)O)C(C)=O",{"$nulls":4},158.094294308,"?"]
[4716,null,"39529-95-8",{"$nulls":7},""]
[4717,null,"39589-98-5",{"$nulls":7},""]
[4718,"CNC(=O)N(C)C(=O)CC#N","39615-79-7","CNC(=O)N(C)C(=O)CC#N","CNC(=O)N(C)C(=O)CC#N",{"$nulls":4},155.069476528,"?"]
[4719,"ClC1=CC(=CC(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1","39635-31-9","Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4720,null,"39764-27-7",{"$nulls":7},""]
[4721,"CC(C)(C)C1=NN(C(=O)O1)C1=CC(OCC#C)=C(Cl)C=C1Cl","39807-15-3","C#CCOc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl","C#CCOc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl",{"$nulls":4},340.03814766800036,"?"]
[4722,"CCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O","39832-36-5","CCn1c(=O)c2c(ncn2C)n(C)c1=O","CCn1c(n(c2c(c1=O)n(cn2)C)C)=O",{"$nulls":4},208.096025624,"?"]
[4723,"CCOP(=O)(OCC)SCN1N=NC2=CC=CC=C2C1=O","39923-25-6","CCOP(=O)(OCC)SCn1nnc2ccccc2c1=O","CCOP(=O)(OCC)SCn1c(c2c(nn1)cccc2)=O",{"$nulls":4},329.05991362200047,"?"]
[4724,null,"39978-21-7",{"$nulls":7},""]
[4725,null,"40078-42-0",{"$nulls":7},""]
[4726,null,"40120-74-9",{"$nulls":7},""]
[4727,"ClC1=CC(Cl)=C(Cl)C(=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","40186-70-7","Clc1cc(Cl)c(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4728,"ClC1=CC(Cl)=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","40186-71-8","Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4729,"ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","40186-72-9","Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},459.727499152,"?"]
[4730,"CC(=O)OC[CH](O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)C=O","40437-08-9","CC(=O)OCC(O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O","CC(=O)OCC(O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O",{"$nulls":4},348.10564684000053,"?"]
[4731,null,"40465-66-5",{"$nulls":7},""]
[4732,null,"40487-42-1",{"$nulls":7},""]
[4733,"COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C","40596-69-8","COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C","COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C",{"$nulls":4},310.25079494800093,"?"]
[4734,null,"40617-52-5",{"$nulls":7},""]
[4735,"CN(C)C1=NC=C2N=CC=NC2=N1","41047-52-3","CN(C)c1ncc2nccnc2n1","CN(C)c1nc2c(cn1)nccn2",{"$nulls":4},175.08579528799999,"?"]
[4736,"C1CCC(CC1)[Sn](C1CCCCC1)(C1CCCCC1)N1C=NC=N1","41083-11-8","c1ncn([Sn](C2CCCCC2)(C2CCCCC2)C2CCCCC2)n1","c1nn(cn1)[Sn](C2CCCCC2)(C3CCCCC3)C4CCCCC4",{"$nulls":4},437.18529282000105,"?"]
[4737,"CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","41096-46-2","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",{"$nulls":4},266.2245802000003,"?"]
[4738,"CCCSP(=O)(OCC)OC1=C(Cl)C=C(Br)C=C1","41198-08-7","CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl","CCCSP(=O)(OCC)Oc1c(cc(cc1)Br)Cl",{"$nulls":4},371.9351417500004,"?"]
[4739,"CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","41205-09-8","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",{"$nulls":4},266.2245802000003,"?"]
[4740,"FC1=CC=C(C=C1)N1C(=O)C(Cl)=C(Cl)C1=O","41205-21-4","O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(F)cc1","O=C1N(C(C(=C1Cl)Cl)=O)c2ccc(cc2)F",{"$nulls":4},258.9603119480001,"?"]
[4741,"COC1=C(C)C=C(C=C1)C(=O)C1=CC=CC(C)=C1","41295-28-7","COc1ccc(C(=O)c2cccc(C)c2)cc1C","COc1c(cc(cc1)C(=O)c2cc(ccc2)C)C",{"$nulls":4},240.115029752,"?"]
[4742,"OC[CH](O)[CH](O)[CH](O)[CH](O)C=NNC(O)=N","41356-13-2","N=C(O)NN=CC(O)C(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)C(O)CO",{"$nulls":4},237.0960852,"?"]
[4743,"CC1=NN=C(C(=O)N1N)C1=CC=CC=C1","41394-05-2","Cc1nnc(-c2ccccc2)c(=O)n1N","Cc1n(c(c(nn1)-c2ccccc2)=O)N",{"$nulls":4},202.08546094,"?"]
[4744,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C(Cl)=CC=C1","41464-39-5","Clc1ccc(Cl)c(-c2cccc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(ccc2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4745,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C=CC(Cl)=C1","41464-40-8","Clc1ccc(-c2cc(Cl)ccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(ccc(c2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4746,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C=CC=C1Cl","41464-41-9","Clc1ccc(Cl)c(-c2c(Cl)cccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cccc2Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4747,"ClC1=CC=CC(Cl)=C1C1=CC(Cl)=C(Cl)C=C1","41464-46-4","Clc1ccc(-c2c(Cl)cccc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cccc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4748,"ClC1=CC=CC(=C1Cl)C1=C(Cl)C=CC=C1Cl","41464-47-5","Clc1cccc(-c2c(Cl)cccc2Cl)c1Cl","Clc1c(c(ccc1)-c2c(cccc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4749,"ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=CC=C1","41464-51-1","Clc1cc(Cl)c(-c2cccc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4750,"SC(=O)CCCCCCCCC(S)=O","41476-09-9","O=C(S)CCCCCCCCC(=O)S","O=C(S)CCCCCCCCC(=O)S",{"$nulls":4},234.074821816,"?"]
[4751,"CCCCC1=C(OS(=O)(=O)N(C)C)N=C(NCC)N=C1C","41483-43-6","CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C","CCCCc1c(nc(nc1C)NCC)OS(=O)(=O)N(C)C",{"$nulls":4},316.15691162800067,"?"]
[4752,null,"41563-94-4",{"$nulls":7},""]
[4753,"CCOC1=CC=C(N=C(C)O)C(C)=C1","41570-59-6","CCOc1ccc(N=C(C)O)c(C)c1","CCOc1cc(c(cc1)N=C(C)O)C",{"$nulls":4},193.11027872,"?"]
[4754,"CC1=C2N3C=NN=C3SC2=CC=C1","41814-78-2","Cc1cccc2sc3nncn3c12","Cc1c2c(ccc1)sc3n2cnn3",{"$nulls":4},189.036068224,"?"]
[4755,null,"41903-57-5",{"$nulls":7},""]
[4756,"COC1=C(O)C=C(C)C(C=O)=C1","42044-81-5","COc1cc(C=O)c(C)cc1O","COc1c(cc(c(c1)C=O)C)O",{"$nulls":4},166.06299418,"?"]
[4757,"CC(C)(C)NCC(O)COC1=CC=CC2=C1C[CH](O)[CH](O)C2","42200-33-9","CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2","CC(C)(C)NCC(O)COc1c2c(ccc1)CC(C(C2)O)O",{"$nulls":4},309.19400834400074,"?"]
[4758,null,"42346-68-9",{"$nulls":7},""]
[4759,"COC1=CC=C(C=C1)[CH]1SC2=CC=CC=C2N(CCN(C)C)C(=O)[CH]1OC(C)=O","42399-41-7","COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1","COc1ccc(cc1)C2C(C(N(c3c(S2)cccc3)CCN(C)C)=O)OC(C)=O",{"$nulls":4},414.16132831200065,"?"]
[4760,"CCOP(=S)(OCC)OC1=NN(C(C)C)C(Cl)=N1","42509-80-8","CCOP(=S)(OCC)Oc1nc(Cl)n(C(C)C)n1","CCOP(=S)(OCC)Oc1nn(c(n1)Cl)C(C)C",{"$nulls":4},313.0416767140005,"?"]
[4761,"COC(=O)C1=C(C=CC(OC2=CC=C(Cl)C=C2Cl)=C1)[N+]([O-])=O","42576-02-3","COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]","COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]",{"$nulls":4},340.9857777480002,"?"]
[4762,"CC(C)CCCC(C)CC=CC(C)=CC(=O)OCC#C","42588-37-4","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",{"$nulls":4},276.20893013600056,"?"]
[4763,"CC1=CC=C(NC(O)=NC(C)(C)C2=CC=CC=C2)C=C1","42609-52-9","Cc1ccc(NC(O)=NC(C)(C)c2ccccc2)cc1","Cc1ccc(cc1)NC(O)=NC(C)(C)c2ccccc2",{"$nulls":4},268.15756326000036,"?"]
[4764,"CN(C(O)=NC(C)(C)C1=CC=CC=C1)C1=CC=CC=C1","42609-73-4","CN(C(O)=NC(C)(C)c1ccccc1)c1ccccc1","CN(C(O)=NC(C)(C)c1ccccc1)c2ccccc2",{"$nulls":4},268.15756326000036,"?"]
[4765,"ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","42740-50-1","Clc1cc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4766,null,"42793-96-4",{"$nulls":7},""]
[4767,"CC(=O)C1=CC(NC(N)=O)=CC=C1","42865-71-4","CC(=O)c1cccc(NC(N)=O)c1","CC(=O)c1cc(ccc1)NC(N)=O",{"$nulls":4},178.07422756,"?"]
[4768,"CCOC1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O","42874-03-3","CCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOc1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",{"$nulls":4},361.0328701720003,"?"]
[4769,"CCCOCC(O)COCCC","43015-17-4","CCCOCC(O)COCCC","CCCOCC(O)COCCC",{"$nulls":4},176.1412445,"?"]
[4770,"CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1","43121-43-3","CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(=O)C(Oc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},293.0931044320005,"?"]
[4771,"CC(=O)C(=O)NC1=CC=CC=C1","46114-86-7","CC(=O)C(=O)Nc1ccccc1","CC(=O)C(=O)Nc1ccccc1",{"$nulls":4},163.063328528,"?"]
[4772,"CN(CCCCC(O)=O)S(=O)(=O)C1=CC=CC=C1","46855-40-7","CN(CCCCC(=O)O)S(=O)(=O)c1ccccc1","CN(CCCCC(=O)O)S(=O)(=O)c1ccccc1",{"$nulls":4},271.0878290240004,"?"]
[4773,null,"48126-70-1",{"$nulls":7},""]
[4774,"CCCCCOC(=O)C1=CN=CC=C1","49558-04-5","CCCCCOC(=O)c1cccnc1","CCCCCOC(=O)c1cnccc1",{"$nulls":4},193.11027872,"?"]
[4775,"NCCC1=CC(=C(O)C=C1)[N+]([O-])=O","49607-15-0","NCCc1ccc(O)c([N+](=O)[O-])c1","NCCc1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},182.06914218,"?"]
[4776,"OC(=O)COC1=CC=CC(OCC(O)=O)=C1OCC(O)=O","49629-98-3","O=C(O)COc1cccc(OCC(=O)O)c1OCC(=O)O","O=C(O)COc1c(c(ccc1)OCC(=O)O)OCC(=O)O",{"$nulls":4},300.0481319640003,"?"]
[4777,"CCOC(=O)NC(=O)CC(=O)NC(=O)OCC","49754-15-6","CCOC(=O)NC(=O)CC(=O)NC(=O)OCC","CCOC(=O)NC(=O)CC(=O)NC(=O)OCC",{"$nulls":4},246.085186168,"?"]
[4778,"SC(=O)CCCCCCC(S)=O","49861-19-0","O=C(S)CCCCCCC(=O)S","O=C(S)CCCCCCC(=O)S",{"$nulls":4},206.043521688,"?"]
[4779,"CN1C(=O)N=C(O)C2=C1N=C(C)C(C)=N2","50256-21-8","Cc1nc2c(O)nc(=O)n(C)c2nc1C","Cc1c(nc2c(n1)c(O)nc(=O)n2C)C",{"$nulls":4},206.08037556,"?"]
[4780,null,"50397-65-4",{"$nulls":7},""]
[4781,"CC1=CN=NS1","50406-54-7","Cc1cnns1","Cc1snnc1",{"$nulls":4},100.009519128,"?"]
[4782,null,"50453-17-3",{"$nulls":7},""]
[4783,"CC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C","50471-44-8","C=CC1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","C=CC1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",{"$nulls":4},284.99594850800025,"?"]
[4784,"CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1","50512-35-1","CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1","CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1","IP[3H]",{"$nulls":3},449.9585357500005,"?"]
[4785,"COCCN(C(=O)CCl)C1=C(C)C=CC=C1C","50563-36-5","COCCN(C(=O)CCl)c1c(C)cccc1C","COCCN(C(=O)CCl)c1c(cccc1C)C",{"$nulls":4},255.102606496,"?"]
[4786,"OC(=O)C1=C(C=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=C1)[N+]([O-])=O","50594-66-6","O=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","O=C(O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",{"$nulls":4},360.9964846640002,"?"]
[4787,"CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1","50679-08-8","CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1","CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4",{"$nulls":4},471.3137295520011,"?"]
[4788,"OC1=NCCCCCCCCCCCCCC1","50768-64-4","OC1=NCCCCCCCCCCCCCC1","OC=1CCCCCCCCCCCCCCN1",{"$nulls":4},239.224914548,"?"]
[4789,"CCOP(C)(=O)SCCN(C(C)C)C(C)C","50782-69-9","CCOP(C)(=O)SCCN(C(C)C)C(C)C","CCOP(C)(=O)SCCN(C(C)C)C(C)C",{"$nulls":4},267.1421867020003,"?"]
[4790,"CC(=O)OC1=CC=CC=C1C(=O)OCC(O)=N","50785-22-3","CC(=O)Oc1ccccc1C(=O)OCC(=N)O","CC(=O)Oc1c(cccc1)C(=O)OCC(=N)O",{"$nulls":4},237.063722452,"?"]
[4791,null,"50785-24-5",{"$nulls":7},""]
[4792,null,"50905-12-9",{"$nulls":7},""]
[4793,"ClC1=CC=CC=C1NC(=O)CC#N","50982-66-6","N#CCC(=O)Nc1ccccc1Cl","N#CCC(=O)Nc1c(cccc1)Cl",{"$nulls":4},194.024690524,"?"]
[4794,null,"51019-43-3",{"$nulls":7},""]
[4795,null,"51065-35-1",{"$nulls":7},""]
[4796,"CN1C2=CC=CC=C2C(C(O)=N)=C1C(O)=N","51072-90-3","Cn1c(C(=N)O)c(C(=N)O)c2ccccc21","Cn1c2c(c(c1C(=N)O)C(=N)O)cccc2",{"$nulls":4},217.085126592,"?"]
[4797,"CC(NCCC#N)C(O)=O","51078-47-8","CC(NCCC#N)C(=O)O","CC(NCCC#N)C(=O)O",{"$nulls":4},142.07422756,"?"]
[4798,"CC(C)[CH](NCCC#N)C(O)=O","51078-49-0","CC(C)C(NCCC#N)C(=O)O","CC(C)C(NCCC#N)C(=O)O",{"$nulls":4},170.105527688,"?"]
[4799,"OC(=O)C1=CC(C(O)=O)=C(C=C1)S(O)(=O)=O","51084-31-2","O=C(O)c1ccc(S(=O)(=O)O)c(C(=O)O)c1","O=C(O)c1cc(c(cc1)S(=O)(=O)O)C(=O)O",{"$nulls":4},245.98342353200002,"?"]
[4800,"SC(=O)C1=CN=CC=C1","51087-03-7","O=C(S)c1cccnc1","O=C(S)c1cnccc1",{"$nulls":4},139.00918478,"?"]
[4801,"CC1=NN(C(N)=C1C)C1=CC=CC=C1","51143-42-1","Cc1nn(-c2ccccc2)c(N)c1C","Cc1c(c(n(n1)-c2ccccc2)N)C",{"$nulls":4},187.110947416,"?"]
[4802,"CN(C1=NC=CS1)S(=O)(=O)C1=CC=C(N)C=C1","51203-19-1","CN(c1nccs1)S(=O)(=O)c1ccc(N)cc1","CN(c1sccn1)S(=O)(=O)c2ccc(cc2)N",{"$nulls":4},269.02926859200034,"?"]
[4803,"ClC1=CC2=C(C=C1Cl)C1=CC(Cl)=C(Cl)C=C1O2","51207-31-9","Clc1cc2oc3cc(Cl)c(Cl)cc3c2cc1Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3)Cl)Cl)Cl",{"$nulls":4},303.9016254680001,"?"]
[4804,"CCC1=C(N(C(C)COC)C(=O)CCl)C(C)=CC=C1","51218-45-2","CCc1cccc(C)c1N(C(=O)CCl)C(C)COC","CCc1c(c(ccc1)C)N(C(=O)CCl)C(C)COC",{"$nulls":4},283.1339066240006,"?"]
[4805,"CCCOCCN(C(=O)CCl)C1=C(CC)C=CC=C1CC","51218-49-6","CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC","CCCOCCN(C(=O)CCl)c1c(cccc1CC)CC",{"$nulls":4},311.1652067520007,"?"]
[4806,null,"51235-04-2",{"$nulls":7},""]
[4807,"CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC","51249-05-9","CCCCNC1(P(=O)(OCCCC)OCCCC)CCCCC1","CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC",{"$nulls":4},347.258930706001,"?"]
[4808,null,"51294-23-6",{"$nulls":7},""]
[4809,"CCCCSC(SCC1=CC=C(C=C1)C(C)(C)C)=NC1=CN=CC=C1","51308-54-4","CCCCSC(=Nc1cccnc1)SCc1ccc(C(C)(C)C)cc1","CCCCSC(=Nc1cnccc1)SCc2ccc(cc2)C(C)(C)C",{"$nulls":4},372.16939089600083,"?"]
[4810,"COC(=O)C(C)OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1","51338-27-3","COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",{"$nulls":4},340.0269142880004,"?"]
[4811,null,"51440-83-6",{"$nulls":7},""]
[4812,"COC(CN(C)C(=O)NC1=NN=C(S1)C(C)(C)C)OC","51461-71-3","COC(CN(C)C(=O)Nc1nnc(C(C)(C)C)s1)OC","COC(CN(C)C(=O)Nc1sc(nn1)C(C)(C)C)OC",{"$nulls":4},302.1412615640006,"?"]
[4813,"CNC(NCCSCC1=C(C)NC=N1)=NC#N","51481-61-9","CNC(=NC#N)NCCSCc1nc[nH]c1C","CNC(=NC#N)NCCSCc1c([nH]cn1)C",{"$nulls":4},252.11571551199998,"?"]
[4814,"CNC(=O)OC1=C(OC(CCl)OC)C=CC=C1","51487-69-5","CNC(=O)Oc1ccccc1OC(CCl)OC","CNC(=O)Oc1c(cccc1)OC(CCl)OC",{"$nulls":4},259.0611356080001,"?"]
[4815,"CN(C1=CC=CC=N1)S(=O)(=O)C1=CC=C(N)C=C1","51543-29-4","CN(c1ccccn1)S(=O)(=O)c1ccc(N)cc1","CN(c1ncccc1)S(=O)(=O)c2ccc(cc2)N",{"$nulls":4},263.0728476560002,"?"]
[4816,"C[CH]1CC[C]2(C[CH]3C[CH](CC=C(C)C[CH](C)C=CC=C4CO[CH]5[CH](O)C(C)=C[CH](C(=O)O3)[C]45O)O2)O[CH]1C","51596-10-2","CC1=CCC2CC(CC3(CCC(C)C(C)O3)O2)OC(=O)C2C=C(C)C(O)C3OCC(=CC=CC(C)C1)C23O","CC=1CC(C=CC=C2COC3C(C(=CC(C(OC4CC(CC1)OC5(C4)OC(C(CC5)C)C)=O)C32O)C)O)C",{"$nulls":4},528.308703748001,"?"]
[4817,"CC[CH]1O[C]2(CC[CH]1C)C[CH]1C[CH](CC=C(C)C[CH](C)C=CC=C3CO[CH]4[CH](O)C(C)=C[CH](C(=O)O1)[C]34O)O2","51596-11-3","CCC1OC2(CCC1C)CC1CC(CC=C(C)CC(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2","CCC1C(CCC2(O1)OC3CC(C2)OC(C4C=C(C(C5OCC(=CC=CC(CC(=CC3)C)C)C54O)O)C)=O)C",{"$nulls":4},542.3243538120012,"?"]
[4818,null,"51630-58-1",{"$nulls":7},""]
[4819,"O=C(NC1=CN=NS1)NC1=CC=CC=C1","51707-55-2","O=C(Nc1ccccc1)Nc1cnns1","O=C(Nc1ccccc1)Nc2snnc2",{"$nulls":4},220.041881876,"?"]
[4820,null,"51773-76-3",{"$nulls":7},""]
[4821,"ClC1=CC(Cl)=C(OC2=CC=CC=C2)C=C1","51892-26-3","Clc1ccc(Oc2ccccc2)c(Cl)c1","Clc1cc(c(cc1)Oc2ccccc2)Cl",{"$nulls":4},237.995220236,"?"]
[4822,"ClC1=CC(=C(Cl)C(Cl)=C1)C1=C(Cl)C=C(Cl)C(Cl)=C1","51908-16-8","Clc1cc(Cl)c(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4823,"CCN1C=C(C(O)=O)C(=O)C2=C1N=C(N=C2)N1CCNCC1","51940-44-4","CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21","CCn1c2c(c(c(c1)C(=O)O)=O)cnc(N3CCNCC3)n2",{"$nulls":4},303.1331394040005,"?"]
[4824,null,"51944-15-1",{"$nulls":7},""]
[4825,null,"51944-17-3",{"$nulls":7},""]
[4826,null,"51953-17-4",{"$nulls":7},""]
[4827,"NC(=O)C1(CCCCC1)N1C(=O)C2=C(C1=O)C(Cl)=CC=C2","51971-67-6","NC(=O)C1(N2C(=O)c3cccc(Cl)c3C2=O)CCCCC1","NC(=O)C1(CCCCC1)N2C(c3c(C2=O)cccc3Cl)=O",{"$nulls":4},306.0771200200004,"?"]
[4828,null,"52128-85-5",{"$nulls":7},""]
[4829,null,"52137-33-4",{"$nulls":7},""]
[4830,"CCC1=CC2=CC3=CC=CC=C3C=C2C=C1","52251-71-5","CCc1ccc2cc3ccccc3cc2c1","CCc1cc2c(cc1)cc3c(cccc3)c2",{"$nulls":4},206.109550448,"?"]
[4831,null,"52315-07-8",{"$nulls":7},""]
[4832,null,"52321-05-8",{"$nulls":7},""]
[4833,null,"52363-15-2",{"$nulls":7},""]
[4834,"CCC1(C)OC(=O)NC1=O","52387-52-7","CCC1(C)OC(=O)NC1=O","CCC1(C(NC(O1)=O)=O)C",{"$nulls":4},143.058243148,"?"]
[4835,null,"52387-57-2",{"$nulls":7},""]
[4836,"CC(OC1=CC2=CC=CC=C2C=C1)C(O)=NC1=CC=CC=C1","52570-16-8","CC(Oc1ccc2ccccc2c1)C(O)=Nc1ccccc1","CC(Oc1cc2c(cc1)cccc2)C(O)=Nc3ccccc3",{"$nulls":4},291.1259287840005,"?"]
[4837,null,"52645-53-1",{"$nulls":7},""]
[4838,"ClC1=C(Cl)C(Cl)=C(C=C1)C1=C(Cl)C=CC=C1","52663-59-9","Clc1ccccc1-c1ccc(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4839,"ClC1=CC=CC(=C1Cl)C1=C(Cl)C(Cl)=CC=C1Cl","52663-60-2","Clc1cccc(-c2c(Cl)ccc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4840,"ClC1=CC=C(Cl)C(=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1","52663-61-3","Clc1ccc(Cl)c(-c2cc(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4841,"ClC1=CC=CC(=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1","52663-62-4","Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4842,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","52663-63-5","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4843,"ClC1=CC=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","52663-64-6","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4844,"ClC1=CC(Cl)=C(Cl)C(Cl)=C1C1=C(Cl)C=CC(Cl)=C1Cl","52663-65-7","Clc1cc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4845,"ClC1=CC(=C(Cl)C(Cl)=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","52663-67-9","Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4846,"ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","52663-68-0","Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4847,"ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","52663-69-1","Clc1cc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4848,"ClC1=CC(Cl)=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1","52663-70-4","Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4849,"ClC1=CC(Cl)=C(Cl)C(Cl)=C1C1=C(Cl)C(Cl)=C(Cl)C=C1","52663-71-5","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4850,"ClC1=CC(Cl)=C(C=C1Cl)C1=CC(Cl)=C(Cl)C(Cl)=C1","52663-72-6","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)cc1Cl","Clc1c(cc(c(c1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4851,"ClC1=CC=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","52663-73-7","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4852,"ClC1=CC(=C(Cl)C(Cl)=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1","52663-74-8","Clc1cc(Cl)c(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4853,"ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","52663-75-9","Clc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4854,"ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","52663-76-0","Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4855,"ClC1=CC(Cl)=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","52663-77-1","Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},459.727499152,"?"]
[4856,"ClC1=C(Cl)C(Cl)=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","52663-78-2","Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4857,"ClC1=CC(Cl)=C(Cl)C(Cl)=C1C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","52663-79-3","Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},459.727499152,"?"]
[4858,"ClC1=CC=CC(=C1Cl)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","52704-70-8","Clc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4859,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1","52712-04-6","Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4860,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","52712-05-7","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4861,"ClC1=CC(=C(Cl)C(Cl)=C1)C1=C(Cl)C(Cl)=CC=C1Cl","52744-13-5","Clc1cc(Cl)c(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(ccc2Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4862,"CC(C)OC(=O)C(C)N(C(=O)C1=CC=CC=C1)C1=CC(Cl)=C(F)C=C1","52756-22-6","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},363.10374936800054,"?"]
[4863,"COC(=O)C(C)N(C(=O)C1=CC=CC=C1)C1=CC(Cl)=C(F)C=C1","52756-25-9","COC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},335.0724492400004,"?"]
[4864,"CCCN(CCC)C(=O)SCC1=CC=CC=C1","52888-80-9","CCCN(CCC)C(=O)SCc1ccccc1","CCCN(CCC)C(=O)SCc1ccccc1",{"$nulls":4},251.134385292,"?"]
[4865,null,"52918-63-5",{"$nulls":7},""]
[4866,"CCCCC(O)CN(N=CC1=CC=C(O1)[N+]([O-])=O)C(N)=O","52926-52-0","CCCCC(O)CN(N=Cc1ccc([N+](=O)[O-])o1)C(N)=O","CCCCC(O)CN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O",{"$nulls":4},298.1277196760005,"?"]
[4867,null,"53014-37-2",{"$nulls":7},""]
[4868,"CC(=O)OC1C(=O)NC(=O)NC1=O","53039-86-4","CC(=O)OC1C(=O)NC(=O)NC1=O","CC(=O)OC1C(NC(NC1=O)=O)=O",{"$nulls":4},186.027671292,"?"]
[4869,"CC1=CC(C)=NC(NC2=CC=CC=C2)=N1","53112-28-0","Cc1cc(C)nc(Nc2ccccc2)n1","Cc1nc(nc(c1)C)Nc2ccccc2",{"$nulls":4},199.110947416,"?"]
[4870,null,"53469-21-9",{"$nulls":7},""]
[4871,null,"53535-33-4",{"$nulls":7},""]
[4872,"ClC1=CC=CC2=C(Cl)C(Cl)=C(Cl)C=C12","53555-63-8","Clc1cc2c(Cl)cccc2c(Cl)c1Cl","Clc1c(c(c2c(c1)c(Cl)ccc2)Cl)Cl",{"$nulls":4},263.9067108480001,"?"]
[4873,"ClC1=CC2=C(C=C(Cl)C=C2Cl)C(Cl)=C1","53555-64-9","Clc1cc(Cl)c2cc(Cl)cc(Cl)c2c1","Clc1cc2c(c(c1)Cl)cc(Cl)cc2Cl",{"$nulls":4},263.9067108480001,"?"]
[4874,null,"53648-05-8",{"$nulls":7},""]
[4875,null,"53742-07-7",{"$nulls":7},""]
[4876,"OS(=O)(=O)C1=NC=CN1","53744-47-1","O=S(=O)(O)c1ncc[nH]1","O=S(=O)(O)c1[nH]ccn1",{"$nulls":4},147.994262988,"?"]
[4877,"CC(=O)NC1=CC(NS(=O)(=O)C(F)(F)F)=C(C)C=C1C","53780-34-0","CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C","CC(=O)Nc1c(cc(c(c1)NS(=O)(=O)C(F)(F)F)C)C",{"$nulls":4},310.05989793600037,"?"]
[4878,"COCCOC1=C(OC)C=C(CC2=CN=C(N)N=C2N)C=C1OC","53808-87-0","COCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC","COCCOc1c(cc(cc1OC)Cc2c(nc(nc2)N)N)OC",{"$nulls":4},334.1641051840006,"?"]
[4879,"CCCCS(=O)(=O)C(S(=O)(=O)CCCC)S(=O)(=O)CCCC","53893-44-0","CCCCS(=O)(=O)C(S(=O)(=O)CCCC)S(=O)(=O)CCCC","CCCCS(=O)(=O)C(S(=O)(=O)CCCC)S(=O)(=O)CCCC",{"$nulls":4},376.1048016160007,"?"]
[4880,"IC1=CC2=C(COC2=O)C=C1","53910-10-4","O=C1OCc2ccc(I)cc21","O=C1c2c(CO1)ccc(I)c2",{"$nulls":4},259.9334274000001,"?"]
[4881,"CCCCC1(C)C(=O)NC(=O)NC1=O","53943-60-5","CCCCC1(C)C(=O)NC(=O)NC1=O","CCCCC1(C(NC(NC1=O)=O)=O)C",{"$nulls":4},198.100442308,"?"]
[4882,"CC(C)CC1(C)C(=O)NC(=O)NC1=O","53943-61-6","CC(C)CC1(C)C(=O)NC(=O)NC1=O","CC(C)CC1(C(NC(NC1=O)=O)=O)C",{"$nulls":4},198.100442308,"?"]
[4883,null,"53943-64-9",{"$nulls":7},""]
[4884,null,"53993-41-2",{"$nulls":7},""]
[4885,"N[CH](C(=O)N[CH]1[CH]2SCC(Cl)=C(N2C1=O)C(O)=O)C1=CC=CC=C1","53994-73-3","NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CSC12)c1ccccc1","NC(C(=O)NC1C2N(C1=O)C(C(=O)O)=C(Cl)CS2)c3ccccc3",{"$nulls":4},367.03935460800034,"?"]
[4886,"CC(C)(N=C(O)C1=CC=CC=C1)C(O)=N","54016-23-8","CC(C)(N=C(O)c1ccccc1)C(=N)O","CC(C)(N=C(O)c1ccccc1)C(=N)O",{"$nulls":4},206.105527688,"?"]
[4887,"COC1=C(Cl)C(Cl)=C(Cl)C=C1","54135-80-7","COc1ccc(Cl)c(Cl)c1Cl","COc1c(c(c(cc1)Cl)Cl)Cl",{"$nulls":4},209.94059782,"?"]
[4888,null,"54345-92-5",{"$nulls":7},""]
[4889,null,"54381-71-4",{"$nulls":7},""]
[4890,"CCC=C(C)C(OC(=O)C1C(C=C(C)C)C1(C)C)C#C","54406-48-3","C#CC(OC(=O)C1C(C=C(C)C)C1(C)C)C(C)=CCC","C#CC(OC(=O)C1C(C1C=C(C)C)(C)C)C(C)=CCC",{"$nulls":4},274.1932800720005,"?"]
[4891,null,"54496-86-5",{"$nulls":7},""]
[4892,"CCCCC(=O)NCCNC(=O)CCCC","54535-60-3","CCCCC(=O)NCCNC(=O)CCCC","CCCCC(=O)NCCNC(=O)CCCC",{"$nulls":4},228.183778008,"?"]
[4893,"CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl","54593-83-8","CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl","CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl",{"$nulls":4},333.89206256200026,"?"]
[4894,"O=NN1CCCC1=O","54634-49-0","O=NN1CCCC1=O","O=NN1C(CCC1)=O",{"$nulls":4},114.042927432,"?"]
[4895,"CC[CH](C)[CH](N=C(C)O)C(O)=O","54831-20-8","CCC(C)C(N=C(C)O)C(=O)O","CCC(C)C(N=C(C)O)C(=O)O",{"$nulls":4},173.10519334,"?"]
[4896,"CSC1=CC(O)=CC(O)=C1","54839-91-7","CSc1cc(O)cc(O)c1","CSc1cc(cc(c1)O)O",{"$nulls":4},156.024500496,"?"]
[4897,"CCCCSC1=CC(O)=CC(O)=C1","54839-92-8","CCCCSc1cc(O)cc(O)c1","CCCCSc1cc(cc(c1)O)O",{"$nulls":4},198.071450688,"?"]
[4898,null,"54896-21-8",{"$nulls":7},""]
[4899,"CC(C)(C)C(O)C(OC1=CC=C(C=C1)C1=CC=CC=C1)N1C=NC=N1","55179-31-2","CC(C)(C)C(O)C(Oc1ccc(-c2ccccc2)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)-c2ccccc2)n3ncnc3",{"$nulls":4},337.1790269760007,"?"]
[4900,"ClC1=CC(Cl)=C(Cl)C(Cl)=C1C1=C(Cl)C=CC=C1","55215-17-3","Clc1ccccc1-c1c(Cl)cc(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4901,"ClC1=CC=CC(=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1","55215-18-4","Clc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4902,"CC(C)(C)C(O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1","55219-65-3","CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},295.10875449600053,"?"]
[4903,"CCCN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C","55242-55-2","CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C","CCCn1c2c(nc1)n(c(n(c2=O)CCCCC(C)=O)=O)C",{"$nulls":4},306.16919056400064,"?"]
[4904,"O=C(C1CCCCC1)N1CC2N(CCC3=C2C=CC=C3)C(=O)C1","55268-74-1","O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1","O=C(C1CCCCC1)N2CC3N(C(C2)=O)CCc4c3cccc4",{"$nulls":4},312.1837780080006,"?"]
[4905,"CCN(CC(C)=C)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","55283-68-6","C=C(C)CN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","C=C(C)CN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},333.09364058800037,"?"]
[4906,null,"55285-14-8",{"$nulls":7},""]
[4907,"CC1=C(C)S(=O)(=O)CCS1(=O)=O","55290-64-7","CC1=C(C)S(=O)(=O)CCS1(=O)=O","CC=1S(CCS(C1C)(=O)=O)(=O)=O",{"$nulls":4},210.0020508,"?"]
[4908,"ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=C(Cl)C=CC=C1","55312-69-1","Clc1ccccc1-c1cc(Cl)c(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4909,"CCCOP(=O)(OCC)OCCC","55312-81-7","CCCOP(=O)(OCC)OCCC","CCCOP(=O)(OCC)OCCC",{"$nulls":4},210.102095718,"?"]
[4910,"C1CN(CCS1)C1=CC=CC=C1","55330-78-4","c1ccc(N2CCSCC2)cc1","c1ccc(cc1)N2CCSCC2",{"$nulls":4},179.076870416,"?"]
[4911,"OC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=N1","55335-06-3","O=C(O)COc1nc(Cl)c(Cl)cc1Cl","O=C(O)COc1c(cc(c(n1)Cl)Cl)Cl",{"$nulls":4},254.92567602799997,"?"]
[4912,"CN1CC(O)N(C1=O)C1=NN=C(S1)C(C)(C)C","55511-98-3","CN1CC(O)N(c2nnc(C(C)(C)C)s2)C1=O","CN1C(N(C(C1)O)c2sc(nn2)C(C)(C)C)=O",{"$nulls":4},256.099396752,"?"]
[4913,"CCCCCCCCSC(=O)OC1=CC(Cl)=NN=C1C1=CC=CC=C1","55512-33-9","CCCCCCCCSC(=O)Oc1cc(Cl)nnc1-c1ccccc1","CCCCCCCCSC(=O)Oc1c(nnc(c1)Cl)-c2ccccc2",{"$nulls":4},378.11687665600067,"?"]
[4914,"ClC1=C(Cl)C=C(OC2=CC=CC=C2)C=C1","55538-69-7","Clc1ccc(Oc2ccccc2)cc1Cl","Clc1c(cc(cc1)Oc2ccccc2)Cl",{"$nulls":4},237.995220236,"?"]
[4915,null,"55645-89-1",{"$nulls":7},""]
[4916,"ClC1=CC=C(Cl)C(=C1Cl)C1=CC=CC=C1","55702-45-9","Clc1ccc(Cl)c(-c2ccccc2)c1Cl","Clc1c(c(c(cc1)Cl)-c2ccccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4917,"ClC1=C(Cl)C(Cl)=C(C=C1)C1=CC=CC=C1","55702-46-0","Clc1ccc(-c2ccccc2)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2ccccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4918,null,"55704-91-1",{"$nulls":7},""]
[4919,"ClC1=CC2=C(Cl)C=C(Cl)C=C2C=C1","55720-37-1","Clc1cc(Cl)c2cc(Cl)ccc2c1","Clc1cc2c(c(c1)Cl)cc(Cl)cc2",{"$nulls":4},229.9456832,"?"]
[4920,"ClC1=CC2=CC(Cl)=C(Cl)C=C2C=C1","55720-40-6","Clc1ccc2cc(Cl)c(Cl)cc2c1","Clc1cc2c(cc1)cc(Cl)c(Cl)c2",{"$nulls":4},229.9456832,"?"]
[4921,"ClC1=CC2=C(Cl)C=CC(Cl)=C2C=C1Cl","55720-43-9","Clc1cc2c(Cl)ccc(Cl)c2cc1Cl","Clc1c(cc2c(c1)c(Cl)ccc2Cl)Cl",{"$nulls":4},263.9067108480001,"?"]
[4922,null,"55774-20-4",{"$nulls":7},""]
[4923,"CC(C)OC1=CC=CC(NC(=O)C2=C(C)C=CC=C2)=C1","55814-41-0","Cc1ccccc1C(=O)Nc1cccc(OC(C)C)c1","Cc1c(cccc1)C(=O)Nc2cc(ccc2)OC(C)C",{"$nulls":4},269.1415788480004,"?"]
[4924,"CN(C)C(=O)NC1=NOC(=C1)C(C)(C)C","55861-78-4","CN(C)C(=O)Nc1cc(C(C)(C)C)on1","CN(C)C(=O)Nc1noc(c1)C(C)(C)C",{"$nulls":4},211.132076784,"?"]
[4925,"CCC(=O)N(C1=CC=CC=C1)C1(COC)CCN(CCC2=CC=CS2)CC1","56030-54-7","CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1","CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3sccc3)COC",{"$nulls":4},386.20279920000087,"?"]
[4926,"ClC1=CC=C(C(Cl)=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","56030-56-9","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4927,"CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C","56070-16-7","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C",{"$nulls":4},320.0339587820006,"?"]
[4928,"CCCC(C)CC(C)O","56298-90-9","CCCC(C)CC(C)O","CCCC(C)CC(C)O",{"$nulls":4},130.135765196,"?"]
[4929,null,"56403-08-8",{"$nulls":7},""]
[4930,"CC(C)C(O)(C1=CC=C(OC(F)(F)F)C=C1)C1=CN=CN=C1","56425-91-3","CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c1cncnc1","CC(C)C(O)(c1ccc(cc1)OC(F)(F)F)c2cncnc2",{"$nulls":4},312.1085623800005,"?"]
[4931,"O=CC(=O)CC1=CC=CC=C1","56485-04-2","O=CC(=O)Cc1ccccc1","O=CC(=O)Cc1ccccc1",{"$nulls":4},148.052429496,"?"]
[4932,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=C(Cl)C=CC=C1Cl","56558-16-8","Clc1cc(Cl)c(-c2c(Cl)cccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cccc2Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4933,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=CC=C(Cl)C(Cl)=C1","56558-17-9","Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2cc(c(cc2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4934,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=CC(Cl)=CC(Cl)=C1","56558-18-0","Clc1cc(Cl)cc(-c2c(Cl)cc(Cl)cc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4935,"OC(=NC1=CC=CC=C1)N1C=C(F)C(O)=NC1=O","56563-17-8","O=c1nc(O)c(F)cn1C(O)=Nc1ccccc1","O=c1n(cc(c(n1)O)F)C(O)=Nc2ccccc2",{"$nulls":4},249.054969336,"?"]
[4936,"CNC(=O)N1C=C(F)C(=O)NC1=O","56563-18-9","CNC(=O)n1cc(F)c(=O)[nH]c1=O","CNC(=O)n1c([nH]c(c(c1)F)=O)=O",{"$nulls":4},187.039319272,"?"]
[4937,"CC(C)(C)*.O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1 |c:9,11,17,19,25,27,t:7,15,23,lp:5:2,7:2,14:2,21:2,m:4:11.12.13|","56803-37-3","*C(C)(C)C","*C(C)(C)C","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3",{"$nulls":3},{"$error":"#NUM!"},"Errors in neutralization"]
[4938,"COP(=S)(OC)OC1=C(Cl)C=C(C)C=C1Cl","57018-04-9","COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl","COP(=S)(OC)Oc1c(cc(cc1Cl)C)Cl",{"$nulls":4},299.9543572020003,"?"]
[4939,"CSC1=NN=C(C(=O)N1N=CC(C)C)C(C)(C)C","57052-04-7","CSc1nnc(C(C)(C)C)c(=O)n1N=CC(C)C","CSc1n(c(c(nn1)C(C)(C)C)=O)N=CC(C)C",{"$nulls":4},268.1357822600003,"?"]
[4940,"COC1=C(Cl)C(Cl)=C(Cl)C=C1O","57057-83-7","COc1c(O)cc(Cl)c(Cl)c1Cl","COc1c(c(c(cc1O)Cl)Cl)Cl",{"$nulls":4},225.93551244,"?"]
[4941,"ClC1=CC2=C(C=C1Cl)C1=C(O2)C(Cl)=C(Cl)C(Cl)=C1","57117-31-4","Clc1cc2oc3c(Cl)c(Cl)c(Cl)cc3c2cc1Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3Cl)Cl)Cl)Cl",{"$nulls":4},337.8626531160001,"?"]
[4942,"NC1=NC=C(C=C1)S(N)(=O)=O","57187-73-2","Nc1ccc(S(N)(=O)=O)cn1","Nc1ncc(cc1)S(N)(=O)=O",{"$nulls":4},173.025897464,"?"]
[4943,"NC(=O)C[CH](O)C(O)=O","57229-74-0","NC(=O)CC(O)C(=O)O","NC(=O)CC(O)C(=O)O",{"$nulls":4},133.037507704,"?"]
[4944,"NC1=CC2=C(COC2=O)C=C1","57319-65-0","Nc1ccc2c(c1)C(=O)OC2","Nc1cc2c(cc1)COC2=O",{"$nulls":4},149.047678464,"?"]
[4945,"O=C1CCC2=C3N1CCC3=CC=C2","57369-32-1","O=C1CCc2cccc3c2N1CC3","O=C1N2c3c(CC1)cccc3CC2",{"$nulls":4},173.084063972,"?"]
[4946,"CCN(C(=O)OC1=CC=CC(NC(=O)OC(C)C)=C1)C1=CC=CC=C1","57375-63-0","CCN(C(=O)Oc1cccc(NC(=O)OC(C)C)c1)c1ccccc1","CCN(C(=O)Oc1cc(ccc1)NC(=O)OC(C)C)c2ccccc2",{"$nulls":4},342.1579571840006,"?"]
[4947,null,"57381-79-0",{"$nulls":7},""]
[4948,"CN(CCOC(=O)C1=CC=CC=C1)C(C)=O","57440-16-1","CC(=O)N(C)CCOC(=O)c1ccccc1","CC(=O)N(C)CCOC(=O)c1ccccc1",{"$nulls":4},221.10519334,"?"]
[4949,"COC(=O)C(C)N(C(=O)C1=CC=CO1)C1=C(C)C=CC=C1C","57646-30-7","COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C","COC(=O)C(C)N(C(=O)c1occc1)c2c(cccc2C)C",{"$nulls":4},301.1314080880005,"?"]
[4950,"COCC(=O)N(C(C)C(=O)OC)C1=C(C)C=CC=C1C","57837-19-1","COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC",{"$nulls":4},279.14705815200057,"?"]
[4951,"CCNC(=O)NC(=O)C(=NOC)C#N","57966-95-7","CCNC(=O)NC(=O)C(C#N)=NOC","CCNC(=O)NC(=O)C(C#N)=NOC",{"$nulls":4},198.07529018,"?"]
[4952,"CC(C)OC(=O)[CH](C)N(C(=O)C1=CC=CC=C1)C1=CC=C(F)C(Cl)=C1","57973-67-8","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},363.10374936800054,"?"]
[4953,"CC1=CC=C(C=C1)N=NC1=C(N)C=CC(C)=C1","58010-91-6","Cc1ccc(N=Nc2cc(C)ccc2N)cc1","Cc1ccc(cc1)N=Nc2c(ccc(c2)C)N",{"$nulls":4},225.12659748,"?"]
[4954,"CN1N=C(C)C(C(=O)C2=C(Cl)C=C(Cl)C=C2)=C1OS(=O)(=O)C1=CC=C(C)C=C1","58011-68-0","Cc1ccc(S(=O)(=O)Oc2c(C(=O)c3ccc(Cl)cc3Cl)c(C)nn2C)cc1","Cc1ccc(cc1)S(=O)(=O)Oc2n(nc(c2C(=O)c3c(cc(cc3)Cl)Cl)C)C",{"$nulls":4},438.0207833520003,"?"]
[4955,"CCC1(CC)C(N)=NC(=O)NC1=O","58042-95-8","CCC1(CC)C(=O)NC(=O)N=C1N","CCC1(C(=NC(NC1=O)=O)N)CC",{"$nulls":4},183.100776656,"?"]
[4956,null,"58266-38-9",{"$nulls":7},""]
[4957,null,"58266-39-0",{"$nulls":7},""]
[4958,"CC1OC(=O)C2=C1C=CC(=C2)N(=O)=O","58335-58-3","CC1OC(=O)c2cc([N+](=O)[O-])ccc21","CC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2",{"$nulls":4},193.037507704,"?"]
[4959,null,"58528-60-2",{"$nulls":7},""]
[4960,"NC1=C(Br)C(=C(Br)C=C1Br)S(O)(=O)=O","58585-89-0","Nc1c(Br)cc(Br)c(S(=O)(=O)O)c1Br","Nc1c(c(c(cc1Br)Br)S(=O)(=O)O)Br",{"$nulls":4},406.746200288,"?"]
[4961,"CC(N(C(=O)C1=CC=CC=C1)C1=CC(Cl)=C(F)C=C1)C(O)=O","58667-63-3","CC(C(=O)O)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C(=O)O)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},321.0567991760003,"?"]
[4962,"CC1=CC=CC(C)=C1N(C1CCOC1=O)C(=O)CCl","58810-48-3","Cc1cccc(C)c1N(C(=O)CCl)C1CCOC1=O","Cc1c(c(ccc1)C)N(C(=O)CCl)C2C(OCC2)=O",{"$nulls":4},281.08187105200045,"?"]
[4963,"CCCCC(CC)C(=O)NC(N)=O","58850-93-4","CCCCC(CC)C(=O)NC(N)=O","CCCCC(CC)C(=O)NC(N)=O",{"$nulls":4},186.136827816,"?"]
[4964,null,"58944-05-1",{"$nulls":7},""]
[4965,"CN1C=CSC1=NS(=O)(=O)C1=CC=C(N)C=C1","58944-06-2","Cn1ccsc1=NS(=O)(=O)c1ccc(N)cc1","Cn1c(scc1)=NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},269.02926859200034,"?"]
[4966,null,"58954-22-6",{"$nulls":7},""]
[4967,"CCCC1=NC(C(O)=O)=C(N1)C(O)=O","58954-23-7","CCCc1nc(C(=O)O)c(C(=O)O)[nH]1","CCCc1[nH]c(c(n1)C(=O)O)C(=O)O",{"$nulls":4},198.0640568,"?"]
[4968,null,"58994-96-0",{"$nulls":7},""]
[4969,"ClC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1","59039-21-3","Clc1ccc(Oc2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[4970,"CCCOP(=O)(OC)OC","59259-32-4","CCCOP(=O)(OC)OC","CCCOP(=O)(OC)OC",{"$nulls":4},168.055145526,"?"]
[4971,"NC1=NC2=C(N=CN2COCCO)C(=O)N1","59277-89-3","Nc1nc2c(ncn2COCCO)c(=O)[nH]1","Nc1[nH]c(c2c(n1)n(cn2)COCCO)=O",{"$nulls":4},225.086189212,"?"]
[4972,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1","59291-64-4","Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4973,"CC(C)C=CCC(O)=O","59320-76-2","CC(C)C=CCC(=O)O","CC(C)C=CCC(=O)O",{"$nulls":4},128.083729624,"?"]
[4974,"CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC","59669-26-0","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC",{"$nulls":4},354.0490180560005,"?"]
[4975,"CN1C=C(C(=O)C(=C1)C1=CC(=CC=C1)C(F)(F)F)C1=CC=CC=C1","59756-60-4","Cn1cc(-c2ccccc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1","Cn1cc(c(c(c1)-c2ccccc2)=O)-c3cc(ccc3)C(F)(F)F",{"$nulls":4},329.1027487280004,"?"]
[4976,null,"59857-86-2",{"$nulls":7},""]
[4977,"CCOC1=CC=CC=C1C=CC([O-])=O","59923-03-4","CCOc1ccccc1C=CC(=O)[O-]","CCOc1c(cccc1)C=CC(=O)O",{"$nulls":4},191.070819212,"Structure has been neutralized"]
[4978,"ClC1=CC=C(Cl)C(=C1)C1=C(Cl)C=C(Cl)C=C1Cl","60145-21-3","Clc1cc(Cl)c(-c2cc(Cl)ccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(ccc(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4979,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=C(Cl)C=C(Cl)C(Cl)=C1","60145-22-4","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4980,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1","60145-23-5","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4981,"CC(C)(S(C)(=O)=O)S(C)(=O)=O","60154-00-9","CC(C)(S(C)(=O)=O)S(C)(=O)=O","CC(C)(S(C)(=O)=O)S(C)(=O)=O",{"$nulls":4},200.017700864,"?"]
[4982,"CN1C=C(I)C=CC1=O","60154-05-4","Cn1cc(I)ccc1=O","Cn1c(ccc(c1)I)=O",{"$nulls":4},234.949411812,"?"]
[4983,"C[CH](O)C(=O)NC1=C(I)C(C(=O)NC(CO)CO)=C(I)C(C(=O)NC(CO)CO)=C1I","60166-93-0","CC(O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I","CC(O)C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I",{"$nulls":4},776.8541086640005,"?"]
[4984,"OC(C1=CC=C(Cl)C=C1)(C1=CN=CN=C1)C1=CC=CC=C1Cl","60168-88-9","OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl","OC(c1ccc(cc1)Cl)(c2cncnc2)c3c(cccc3)Cl",{"$nulls":4},330.03266836400036,"?"]
[4985,"ClC1=CC(Cl)=C(C=C1)C1(CN2C=NC=N2)OCCO1","60207-31-0","Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1","Clc1cc(c(cc1)C2(OCCO2)Cn3ncnc3)Cl",{"$nulls":4},299.0228319520003,"?"]
[4986,"CCCC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(Cl)C=C1","60207-90-1","CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1","CCCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl",{"$nulls":4},341.0697821440005,"?"]
[4987,"CCC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(Cl)C=C1","60207-93-4","CCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1","CCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl",{"$nulls":4},327.0541320800004,"?"]
[4988,"ClC1=CC(=CC=C1)C1=C(Cl)C=C(Cl)C=C1Cl","60233-24-1","Clc1cccc(-c2c(Cl)cc(Cl)cc2Cl)c1","Clc1cc(ccc1)-c2c(cc(cc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4989,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=C(Cl)C(Cl)=CC=C1","60233-25-2","Clc1cc(Cl)c(-c2cccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4990,null,"60238-56-4",{"$nulls":7},""]
[4991,null,"60295-67-2",{"$nulls":7},""]
[4992,"CCSC(C(O)=O)C1=CC=CC=C1","60340-41-2","CCSC(C(=O)O)c1ccccc1","CCSC(C(=O)O)c1ccccc1",{"$nulls":4},196.055800624,"?"]
[4993,null,"60415-20-5",{"$nulls":7},""]
[4994,null,"60415-21-6",{"$nulls":7},""]
[4995,"CON(C1CCCCC1)C(=O)C1=C(C)OC(C)=C1","60568-05-0","CON(C(=O)c1cc(C)oc1C)C1CCCCC1","CON(C(=O)c1c(oc(c1)C)C)C2CCCCC2",{"$nulls":4},251.152143532,"?"]
[4996,null,"60574-00-7",{"$nulls":7},""]
[4997,"OS(=O)(=O)C1=CN=CN1","60634-74-4","O=S(=O)(O)c1cnc[nH]1","O=S(=O)(O)c1[nH]cnc1",{"$nulls":4},147.994262988,"?"]
[4998,"CCCCOCCOCCOC(O)=N","60653-87-4","CCCCOCCOCCOC(=N)O","CCCCOCCOCCOC(=N)O",{"$nulls":4},205.131408088,"?"]
[4999,null,"60662-64-8",{"$nulls":7},""]
[5000,"CCCCCCCC1(CC)C(=O)NC(=O)NC1=O","60784-70-5","CCCCCCCC1(CC)C(=O)NC(=O)NC1=O","CCCCCCCC1(C(NC(NC1=O)=O)=O)CC",{"$nulls":4},254.163042564,"?"]
[5001,null,"60940-94-5",{"$nulls":7},""]
[5002,"FC(F)(F)C1=CC=CC(=C1)N1CC(CCl)C(Cl)C1=O","61213-25-0","O=C1C(Cl)C(CCl)CN1c1cccc(C(F)(F)F)c1","O=C1N(CC(C1Cl)CCl)c2cc(ccc2)C(F)(F)F",{"$nulls":4},311.0091539600002,"?"]
[5003,"SC(=N)NC#N","61296-28-4","N#CNC(=N)S","N#CNC(=N)S",{"$nulls":4},101.00476809599999,"?"]
[5004,"ClC1=CC=CC=C1OC1=CC(Cl)=C(Cl)C=C1","61328-44-7","Clc1ccc(Oc2ccccc2Cl)cc1Cl","Clc1c(cc(cc1)Oc2c(cccc2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5005,"CCC(=O)OC(C)C(=O)OC","61402-72-0","CCC(=O)OC(C)C(=O)OC","CCC(=O)OC(C)C(=O)OC",{"$nulls":4},160.073558864,"?"]
[5006,"CC(C)(SC(=O)N1CCCCC1)C1=CC=CC=C1","61432-55-1","CC(C)(SC(=O)N1CCCCC1)c1ccccc1","CC(C)(SC(=O)N1CCCCC1)c2ccccc2",{"$nulls":4},263.1343852920002,"?"]
[5007,"CC(C)CC1=NC=CN1","61491-92-7","CC(C)Cc1ncc[nH]1","CC(C)Cc1[nH]ccn1",{"$nulls":4},124.10004838399999,"?"]
[5008,"CN1C=CSC1=NC1=C(C)C=C(C)C=C1","61676-87-7","Cc1ccc(N=c2sccn2C)c(C)c1","Cc1cc(c(cc1)N=c2n(ccs2)C)C",{"$nulls":4},218.087769448,"?"]
[5009,"CSC(=NC)N(C)C","61713-37-9","CN=C(SC)N(C)C","CN=C(SC)N(C)C",{"$nulls":4},132.072119384,"?"]
[5010,"ClC1=CC(Cl)=C(Cl)C(Cl)=C1C1=CC=CC(Cl)=C1Cl","61798-70-7","Clc1cccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5011,"OCCNC(=O)C1=C(O)C=CC(O)=C1","61969-53-7","O=C(NCCO)c1cc(O)ccc1O","O=C(NCCO)c1c(ccc(c1)O)O",{"$nulls":4},197.068807832,"?"]
[5012,"NC1=C(C=C(C2=C1C=C(C=C2)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O","61986-93-4","Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(S(=O)(=O)O)cc12","Nc1c2c(c(cc1S(=O)(=O)O)S(=O)(=O)O)ccc(S(=O)(=O)O)c2",{"$nulls":4},382.9439438680001,"?"]
[5013,null,"62046-37-1",{"$nulls":7},""]
[5014,null,"62396-98-9",{"$nulls":7},""]
[5015,"COC(=O)C(C)=COP(=S)(OC)OC","62610-77-9","COC(=O)C(C)=COP(=S)(OC)OC","COC(=O)C(C)=COP(=S)(OC)OC",{"$nulls":4},240.022131146,"?"]
[5016,"CCCCN(C(O)=N)C1=CC=CC=C1","62641-29-6","CCCCN(C(=N)O)c1ccccc1","CCCCN(C(=N)O)c1ccccc1",{"$nulls":4},192.126263132,"?"]
[5017,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=C(Cl)C=CC=C1","62796-65-0","Clc1cc(Cl)c(-c2ccccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cccc2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5018,"CN(C)C(=O)SCCCCOC1=CC=CC=C1","62850-32-2","CN(C)C(=O)SCCCCOc1ccccc1","CN(C)C(=O)SCCCCOc1ccccc1",{"$nulls":4},253.113649848,"?"]
[5019,"CC1=C(Cl)C=C(C=C1Cl)C1=NN=C(O)C=C1","62865-36-5","Cc1c(Cl)cc(-c2ccc(O)nn2)cc1Cl","Cc1c(cc(cc1Cl)-c2nnc(cc2)O)Cl",{"$nulls":4},254.001368236,"?"]
[5020,"CCN(CC1=C(Cl)C=CC=C1F)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","62924-70-3","CCN(Cc1c(F)cccc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCN(Cc1c(cccc1F)Cl)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},421.04524642400025,"?"]
[5021,"CC1=C2CCCCC2=CC2=C1C=CC1=CC=CC=C21","63020-38-2","Cc1c2c(cc3c1ccc1ccccc13)CCCC2","Cc1c2c(cc3c1CCCC3)c4c(cc2)cccc4",{"$nulls":4},246.140850576,"?"]
[5022,"N#CCON=C(C#N)C1=CC=CC=C1","63278-33-1","N#CCON=C(C#N)c1ccccc1","N#CCON=C(C#N)c1ccccc1",{"$nulls":4},185.058911844,"?"]
[5023,"OC(C1=CC=C(F)C=C1)(C1=CN=CN=C1)C1=CC=CC=C1Cl","63284-71-9","OC(c1ccc(F)cc1)(c1cncnc1)c1ccccc1Cl","OC(c1ccc(cc1)F)(c2cncnc2)c3c(cccc3)Cl",{"$nulls":4},314.0622189040003,"?"]
[5024,"ClC1=CC=C(OC2=CC(Cl)=C(Cl)C=C2)C=C1","63646-51-5","Clc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1","Clc1ccc(cc1)Oc2cc(c(cc2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5025,"CCCC(Br)(CCC)C(O)=N","63718-48-9","CCCC(Br)(CCC)C(=N)O","CCCC(Br)(CCC)C(=N)O",{"$nulls":4},221.041526232,"?"]
[5026,"COC(=O)[CH](C)N(C(=O)C1=CC=CC=C1)C1=CC(Cl)=C(F)C=C1","63729-98-6","COC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},335.0724492400004,"?"]
[5027,"CC(C)OC(=O)[CH](C)N(C(=O)C1=CC=CC=C1)C1=CC(Cl)=C(F)C=C1","63782-90-1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},363.10374936800054,"?"]
[5028,"CCC1OCC(COC2=CC=C(OC3=CC=CC=C3)C=C2)O1","63837-33-2","CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1","CCC1OC(CO1)COc2ccc(cc2)Oc3ccccc3",{"$nulls":4},300.1361591200005,"?"]
[5029,"CCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O","63906-63-8","CCCn1c(=O)c2c(ncn2C)n(C)c1=O","CCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",{"$nulls":4},222.111675688,"?"]
[5030,"ClCCN(Cl)CCCl","63915-60-6","ClCCN(Cl)CCCl","ClCCN(Cl)CCCl",{"$nulls":4},174.972232296,"?"]
[5031,"CCOC1=CC=C(C=C1)C1(CC1(Cl)Cl)C(=O)OC(C#N)C1=CC(OC2=CC=CC=C2)=CC=C1","63935-38-6","CCOc1ccc(C2(C(=O)OC(C#N)c3cccc(Oc4ccccc4)c3)CC2(Cl)Cl)cc1","CCOc1ccc(cc1)C2(C(C2)(Cl)Cl)C(=O)OC(C#N)c3cc(ccc3)Oc4ccccc4",{"$nulls":4},481.08476351200056,"?"]
[5032,null,"63981-46-4",{"$nulls":7},""]
[5033,"CC(C)C1OC(=O)C2=CC=CC=C12","64002-57-9","CC(C)C1OC(=O)c2ccccc21","CC(C)C1c2c(C(O1)=O)cccc2",{"$nulls":4},176.083729624,"?"]
[5034,"CCCCNC(=O)N1C=C(F)C(=O)NC1=O","64098-82-4","CCCCNC(=O)n1cc(F)c(=O)[nH]c1=O","CCCCNC(=O)n1c([nH]c(c(c1)F)=O)=O",{"$nulls":4},229.086269464,"?"]
[5035,"COP(=S)(OC)SCC(=O)N(C(C)C)C1=CC=C(Cl)C=C1","64249-01-0","COP(=S)(OC)SCC(=O)N(c1ccc(Cl)cc1)C(C)C","COP(=S)(OC)SCC(=O)N(c1ccc(cc1)Cl)C(C)C",{"$nulls":4},367.02324977800055,"?"]
[5036,"CC1(C)C(C(=O)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C","64257-84-7","CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C",{"$nulls":4},349.16779359600065,"?"]
[5037,null,"64480-66-6",{"$nulls":7},""]
[5038,"CCSC1=NN=C(C(=O)N1N)C(C)(C)C","64529-56-2","CCSc1nnc(C(C)(C)C)c(=O)n1N","CCSc1n(c(c(nn1)C(C)(C)C)=O)N",{"$nulls":4},228.104482132,"?"]
[5039,"FC(F)(F)OC1=CC=C(NC(=O)NC(=O)C2=CC=CC=C2Cl)C=C1","64628-44-0","O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1","O=C(NC(=O)c1c(cccc1)Cl)Nc2ccc(cc2)OC(F)(F)F",{"$nulls":4},358.0332045200003,"?"]
[5040,null,"64635-92-3",{"$nulls":7},""]
[5041,"NC(=O)COC(=O)C1=CC=CC=C1","64649-43-0","NC(=O)COC(=O)c1ccccc1","NC(=O)COC(=O)c1ccccc1",{"$nulls":4},179.058243148,"?"]
[5042,"CCNC(=O)COC(=O)C1=CC=CC=C1","64649-57-6","CCNC(=O)COC(=O)c1ccccc1","CCNC(=O)COC(=O)c1ccccc1",{"$nulls":4},207.089543276,"?"]
[5043,"CCN(CC)C(=O)COC(=O)C1=CC=CC=C1","64649-63-4","CCN(CC)C(=O)COC(=O)c1ccccc1","CCN(CC)C(=O)COC(=O)c1ccccc1",{"$nulls":4},235.120843404,"?"]
[5044,"CC1=C(NS(=O)(=O)C2=CC=C(N)C=C2)C(C)=NO1","64682-95-7","Cc1noc(C)c1NS(=O)(=O)c1ccc(N)cc1","Cc1c(c(on1)C)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},267.0677622760003,"?"]
[5045,"CCN[CH](C)C(O)=O","64991-30-6","CCNC(C)C(=O)O","CCNC(C)C(=O)O",{"$nulls":4},117.078978592,"?"]
[5046,null,"65029-15-4",{"$nulls":7},""]
[5047,"ClC1=CC=C(OC2=C(Cl)C=CC(Cl)=C2)C=C1","65075-00-5","Clc1ccc(Oc2cc(Cl)ccc2Cl)cc1","Clc1ccc(cc1)Oc2c(ccc(c2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5048,null,"65267-24-5",{"$nulls":7},""]
[5049,null,"65267-25-6",{"$nulls":7},""]
[5050,null,"65267-26-7",{"$nulls":7},""]
[5051,null,"65267-27-8",{"$nulls":7},""]
[5052,"CN1C(=O)C(N)C(=S)N(C)C1=O","65413-42-5","CN1C(=O)C(N)C(=S)N(C)C1=O","CN1C(N(C(C(C1=O)N)=S)C)=O",{"$nulls":4},187.041547528,"?"]
[5053,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1","65510-45-4","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5054,"S=C1N=CNC2=NC=CN=C12","65882-61-3","S=c1nc[nH]c2nccnc12","S=c1c2c([nH]cn1)nccn2",{"$nulls":4},164.015667128,"?"]
[5055,"CCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2=C1OC(C)(C)C2","65907-30-4","CCCCOC(=O)N(C)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2","CCCCOC(=O)N(C)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C",{"$nulls":4},382.1562429320007,"?"]
[5056,null,"65934-94-3",{"$nulls":7},""]
[5057,null,"65934-95-4",{"$nulls":7},""]
[5058,"ClC1=CC=C(CN(C2CCCC2)C(=O)NC2=CC=CC=C2)C=C1","66063-05-6","O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1","O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3",{"$nulls":4},328.1342409720006,"?"]
[5059,"CC(C)[CH](C(=O)O[CH](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1","66230-04-4","CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl",{"$nulls":4},419.1288212440006,"?"]
[5060,"CCCC(CN1C=NC=N1)C1=C(Cl)C=C(Cl)C=C1","66246-88-6","CCCC(Cn1cncn1)c1ccc(Cl)cc1Cl","CCCC(Cn1ncnc1)c2c(cc(cc2)Cl)Cl",{"$nulls":4},283.06430284000044,"?"]
[5061,"CCOC(=O)C(=C)CC(O)=O","66261-38-9","C=C(CC(=O)O)C(=O)OCC","C=C(CC(=O)O)C(=O)OCC",{"$nulls":4},158.0579088,"?"]
[5062,"CCOC(=O)CNC(=O)C1=CC=CO1","66318-15-8","CCOC(=O)CNC(=O)c1ccco1","CCOC(=O)CNC(=O)c1occc1",{"$nulls":4},197.068807832,"?"]
[5063,"CC(C)OC1=CC(NC(=O)C2=C(C=CC=C2)C(F)(F)F)=CC=C1","66332-96-5","CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1","CC(C)Oc1cc(ccc1)NC(=O)c2c(cccc2)C(F)(F)F",{"$nulls":4},323.1133134120005,"?"]
[5064,null,"66371-02-6",{"$nulls":7},""]
[5065,null,"66398-52-5",{"$nulls":7},""]
[5066,"CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1","66441-23-4","CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",{"$nulls":4},361.07170029200046,"?"]
[5067,"ClC1=CC=CC(OC2=CC(Cl)=C(Cl)C=C2)=C1","66794-60-3","Clc1cccc(Oc2ccc(Cl)c(Cl)c2)c1","Clc1cc(ccc1)Oc2cc(c(cc2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5068,"CC1(C)[CH](C(Br)C(Br)(Br)Br)[CH]1C(=O)O[CH](C#N)C1=CC(OC2=CC=CC=C2)=CC=C1","66841-25-6","CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1C(Br)C(Br)(Br)Br","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C(Br)C(Br)(Br)Br)C",{"$nulls":4},660.8098418680005,"?"]
[5069,"CCCC(Br)C(O)=NC(O)=N","66947-87-3","CCCC(Br)C(O)=NC(=N)O","CCCC(Br)C(O)=NC(=N)O",{"$nulls":4},222.000389692,"?"]
[5070,"CN(C)C1CCCC=CCC1","66950-37-6","CN(C)C1CCC=CCCC1","CN(C)C1CCCC=CCC1",{"$nulls":4},153.151749608,"?"]
[5071,"CN=C(O)SC1=CC=C(OS(C)(=O)=O)C=C1","66952-49-6","CN=C(O)Sc1ccc(OS(C)(=O)=O)cc1","CN=C(O)Sc1ccc(cc1)OS(C)(=O)=O",{"$nulls":4},261.0129498320001,"?"]
[5072,"CC1(CCCC1=O)C#N","66984-18-7","CC1(C#N)CCCC1=O","CC1(C(CCC1)=O)C#N",{"$nulls":4},123.068413908,"?"]
[5073,"ClC1=CC2=C(OC3=C(Cl)C(Cl)=C(Cl)C=C3O2)C=C1","67028-18-6","Clc1ccc2c(c1)Oc1cc(Cl)c(Cl)c(Cl)c1O2","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)c(Cl)c3Cl",{"$nulls":4},319.8965400880001,"?"]
[5074,"CC(C)CCC1(C)C(=O)NC(=O)NC1=O","67051-30-3","CC(C)CCC1(C)C(=O)NC(=O)NC1=O","CC(C)CCC1(C(NC(NC1=O)=O)=O)C",{"$nulls":4},212.116092372,"?"]
[5075,"CC1=CC=CC(C)=C1N(CN1C=CC=N1)C(=O)CCl","67129-08-2","Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl","Cc1c(c(ccc1)C)N(Cn2nccc2)C(=O)CCl",{"$nulls":4},277.09818981200044,"?"]
[5076,"CCC(CC)(CC)NC(O)=N","67216-85-7","CCC(CC)(CC)NC(=N)O","CCC(CC)(CC)NC(=N)O",{"$nulls":4},158.141913196,"?"]
[5077,null,"67242-91-5",{"$nulls":7},""]
[5078,null,"67299-16-5",{"$nulls":7},""]
[5079,"CC(CN1C[CH](C)O[CH](C)C1)CC1=CC=C(C=C1)C(C)(C)C","67306-03-0","CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)OC(C)C1","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C",{"$nulls":4},303.2562146760009,"?"]
[5080,null,"67320-39-2",{"$nulls":7},""]
[5081,null,"67320-40-5",{"$nulls":7},""]
[5082,"CC1(C)[CH](C=C(Cl)Cl)[CH]1C(=O)O[CH](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1","67375-30-8","CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},415.07419882800053,"?"]
[5083,"CC1(C)CNC(NC1)=NN=C(C=CC1=CC=C(C=C1)C(F)(F)F)C=CC1=CC=C(C=C1)C(F)(F)F","67485-29-4","CC1(C)CNC(=NN=C(C=Cc2ccc(C(F)(F)F)cc2)C=Cc2ccc(C(F)(F)F)cc2)NC1","CC1(CNC(NC1)=NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F)C",{"$nulls":4},494.19051608800066,"?"]
[5084,"ClC1=CC2=C(OC3=C(Cl)C(Cl)=C(Cl)C(Cl)=C23)C(Cl)=C1Cl","67562-39-4","Clc1cc2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c32)c(Cl)c1Cl","Clc1c(c(c2c(c1)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",{"$nulls":4},405.78470841200004,"?"]
[5085,"CC(CN1C[CH](C)O[CH](C)C1)CC1=CC=C(C=C1)C(C)(C)C","67564-91-4","CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)OC(C)C1","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C",{"$nulls":4},303.2562146760009,"?"]
[5086,"BrC1=CC2=C(C=C1Br)C1=C(O2)C=C(Br)C(Br)=C1","67733-57-7","Brc1cc2oc3cc(Br)c(Br)cc3c2cc1Br","Brc1c(cc2c(c1)oc3c2cc(c(c3)Br)Br)Br",{"$nulls":4},479.69956314800015,"?"]
[5087,"CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)N1C=CN=C1","67747-09-5","CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1","CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2cncc2",{"$nulls":4},375.03080979200047,"?"]
[5088,null,"67774-74-7",{"$nulls":7},""]
[5089,"CCOC(=O)CN(N=O)C(N)=O","67792-85-2","CCOC(=O)CN(N=O)C(N)=O","CCOC(=O)CN(N=O)C(N)=O",{"$nulls":4},175.059305768,"?"]
[5090,"CCOC(CN(CC(OCC)OCC)N=O)OCC","67856-67-1","CCOC(CN(CC(OCC)OCC)N=O)OCC","CCOC(CN(CC(OCC)OCC)N=O)OCC",{"$nulls":4},278.18417193200065,"?"]
[5091,"CCOC(CNCC(OCC)OCC)OCC","67856-69-3","CCOC(CNCC(OCC)OCC)OCC","CCOC(CNCC(OCC)OCC)OCC",{"$nulls":4},249.194008344,"?"]
[5092,"BrC1=CC(=C(Br)C=C1)C1=CC(Br)=C(Br)C=C1Br","67888-96-4","Brc1ccc(Br)c(-c2cc(Br)c(Br)cc2Br)c1","Brc1cc(c(cc1)Br)-c2c(cc(c(c2)Br)Br)Br",{"$nulls":4},543.6308106600002,"?"]
[5093,"CCCC(O)C=C","67928-93-2","C=CC(O)CCC","C=CC(O)CCC",{"$nulls":4},100.088815004,"?"]
[5094,"O=C1NC=CC2=C1N=CC=C2","67967-11-7","O=c1[nH]ccc2cccnc12","O=c1c2c(cc[nH]1)cccn2",{"$nulls":4},146.048012812,"?"]
[5095,"ClC1=CC(Cl)=C(C=C1OCC#C)N1N=C2CCCCN2C1=O","68049-83-2","C#CCOc1cc(-n2nc3n(c2=O)CCCC3)c(Cl)cc1Cl","C#CCOc1c(cc(c(c1)-n2c(n3c(n2)CCCC3)=O)Cl)Cl",{"$nulls":4},337.03848201600033,"?"]
[5096,"CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1","68085-85-8","CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)C(F)(F)F)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},449.10055580800054,"?"]
[5097,"CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC1=NC2=CC=C(C=C2S1)[N+]([O-])=O","68133-69-7","CC(=O)OCCN(CCC#N)c1ccc(N=Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1","CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2sc3c(n2)ccc([N+](=O)[O-])c3",{"$nulls":4},438.11102405600053,"?"]
[5098,"ClC1=NC=CC(NC(=O)NC2=CC=CC=C2)=C1","68157-60-8","O=C(Nc1ccccc1)Nc1ccnc(Cl)c1","O=C(Nc1ccccc1)Nc2cc(ncc2)Cl",{"$nulls":4},247.05123962,"?"]
[5099,"ClC1=CC=C(C(Cl)=C1)C1=C(Cl)C=CC=C1Cl","68194-04-7","Clc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cccc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5100,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C(Cl)=CC=C1Cl","68194-05-8","Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5101,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1","68194-07-0","Clc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(cc(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5102,"ClC1=CC(=CC(Cl)=C1)C1=C(Cl)C(Cl)=CC=C1Cl","68194-10-5","Clc1cc(Cl)cc(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5103,"ClC1=CC=C(C=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","68194-11-6","Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5104,"ClC1=CC(=CC(Cl)=C1)C1=C(Cl)C=C(Cl)C(Cl)=C1","68194-12-7","Clc1cc(Cl)cc(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5105,"ClC1=CC(=C(Cl)C=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","68194-14-9","Clc1ccc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5106,"ClC1=CC(=C(Cl)C(Cl)=C1Cl)C1=C(Cl)C=CC=C1Cl","68194-15-0","Clc1cc(-c2c(Cl)cccc2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(cccc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5107,"ClC1=CC(=C(Cl)C(Cl)=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","68194-17-2","Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[5108,"CCOC(=O)CNC1=NC(NC(C)C)=NC(Cl)=N1","68228-18-2","CCOC(=O)CNc1nc(Cl)nc(NC(C)C)n1","CCOC(=O)CNc1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},273.09925243200047,"?"]
[5109,"COC1=CC=C(NC(=N)NC2=CC=C(OC)C=C2)C=C1","68339-75-3","COc1ccc(NC(=N)Nc2ccc(OC)cc2)cc1","COc1ccc(cc1)NC(=N)Nc2ccc(cc2)OC",{"$nulls":4},271.13207678400045,"?"]
[5110,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)C1=CC=C(F)C(OC2=CC=CC=C2)=C1","68359-37-5","CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(c(cc2)F)Oc3ccccc3)C",{"$nulls":4},433.0647770160005,"?"]
[5111,"CCS(=O)(=O)OC1=CC2=C(OCC2(C)C)C=C1","68505-69-1","CCS(=O)(=O)Oc1ccc2c(c1)C(C)(C)CO2","CCS(=O)(=O)Oc1cc2c(cc1)OCC2(C)C",{"$nulls":4},256.07692999200003,"?"]
[5112,null,"68648-87-3",{"$nulls":7},""]
[5113,null,"68659-48-3",{"$nulls":7},""]
[5114,"CCCOCC(=NC1=C(C=C(Cl)C=C1)C(F)(F)F)N1C=CN=C1","68694-11-1","CCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n1ccnc1","CCCOCC(=Nc1c(cc(cc1)Cl)C(F)(F)F)n2cncc2",{"$nulls":4},345.08557444000047,"?"]
[5115,"ClC1=CC(Cl)=C(OC2=CC=CC=C2Cl)C=C1","68914-97-6","Clc1ccc(Oc2ccccc2Cl)c(Cl)c1","Clc1cc(c(cc1)Oc2c(cccc2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5116,null,"69079-96-5",{"$nulls":7},""]
[5117,"CC(C)N1C(SCN(C1=O)C1=CC=CC=C1)=NC(C)(C)C","69327-76-0","CC(C)N1C(=O)N(c2ccccc2)CSC1=NC(C)(C)C","CC(C)N1C(SCN(C1=O)c2ccccc2)=NC(C)(C)C",{"$nulls":4},305.1561833560006,"?"]
[5118,null,"69360-16-3",{"$nulls":7},""]
[5119,"NC1=C(Cl)C(F)=NC(OCC(O)=O)=C1Cl","69377-81-7","Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl","Nc1c(c(nc(c1Cl)F)OCC(=O)O)Cl",{"$nulls":4},253.9661256,"?"]
[5120,"CC(C)C(NC1=C(Cl)C=C(C=C1)C(F)(F)F)C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1","69409-94-5","CC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC(C)C(Nc1c(cc(cc1)C(F)(F)F)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3",{"$nulls":4},502.1271049040006,"?"]
[5121,"OCC(Cl)(Cl)Br","69497-24-1","OCC(Cl)(Cl)Br","OCC(Cl)(Cl)Br",{"$nulls":4},191.874432176,"?"]
[5122,"ClC1=CC(=CC=C1)N(C1CCOC1=O)C(=O)C1CC1","69581-33-5","O=C1OCCC1N(C(=O)C1CC1)c1cccc(Cl)c1","O=C1C(CCO1)N(C(=O)C2CC2)c3cc(ccc3)Cl",{"$nulls":4},279.0662209880004,"?"]
[5123,"CC(CC(C)(C(O)=O)C(O)=O)C(O)=O","69646-36-2","CC(CC(C)(C(=O)O)C(=O)O)C(=O)O","CC(CC(C)(C(=O)O)C(=O)O)C(=O)O",{"$nulls":4},204.063388104,"?"]
[5124,null,"69687-19-0",{"$nulls":7},""]
[5125,"CC(C)C1OCC2(CO1)COC(OC2)C(C)C","69695-04-1","CC(C)C1OCC2(CO1)COC(C(C)C)OC2","CC(C)C1OCC2(CO1)COC(OC2)C(C)C",{"$nulls":4},244.167459248,"?"]
[5126,"OC(=O)C1=C(Cl)C(Cl)=CO1","69727-40-8","O=C(O)c1occ(Cl)c1Cl","O=C(O)c1c(c(co1)Cl)Cl",{"$nulls":4},179.938099284,"?"]
[5127,null,"69732-99-6",{"$nulls":7},""]
[5128,"ClC1=CC(=CC(Cl)=C1Cl)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","69782-91-8","Clc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[5129,"CC(OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1)C(O)=O","69806-34-4","CC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O","CC(Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl)C(=O)O",{"$nulls":4},361.03287017200023,"?"]
[5130,"COC(=O)C(C)OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1","69806-40-2","COC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl",{"$nulls":4},375.0485202360004,"?"]
[5131,"CCCCOC(=O)C(C)OC1=CC=C(OC2=CC=C(C=N2)C(F)(F)F)C=C1","69806-50-4","CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1","CCCCOC(=O)C(C)Oc1ccc(cc1)Oc2ncc(cc2)C(F)(F)F",{"$nulls":4},383.1344427800006,"?"]
[5132,"COC(=O)C1=C(C=C(C)C=C1)C1=NC(=O)C(C)(N1)C(C)C","69969-22-8","COC(=O)c1ccc(C)cc1C1=NC(=O)C(C)(C(C)C)N1","COC(=O)c1c(cc(cc1)C)C=2NC(C(N2)=O)(C)C(C)C",{"$nulls":4},288.1473925000006,"?"]
[5133,"COC(=O)C1=C(C=CC(C)=C1)C1=NC(=O)C(C)(N1)C(C)C","69969-62-6","COC(=O)c1cc(C)ccc1C1=NC(=O)C(C)(C(C)C)N1","COC(=O)c1c(ccc(c1)C)C=2NC(C(N2)=O)(C)C(C)C",{"$nulls":4},288.1473925000006,"?"]
[5134,"CC(C)[CH](C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(OC(F)F)C=C1","70124-77-5","CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)F",{"$nulls":4},451.1595146560006,"?"]
[5135,"CCCCCCCCOC(=O)C1=CN=CC=C1","70136-02-6","CCCCCCCCOC(=O)c1cccnc1","CCCCCCCCOC(=O)c1cnccc1",{"$nulls":4},235.157228912,"?"]
[5136,null,"70278-03-4",{"$nulls":7},""]
[5137,"ClC1=CC=C(Cl)C(=C1Cl)C1=CC=CC=C1Cl","70362-45-7","Clc1ccccc1-c1c(Cl)ccc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5138,"ClC1=CC(=C(Cl)C(Cl)=C1)C1=C(Cl)C=CC=C1","70362-46-8","Clc1cc(Cl)c(Cl)c(-c2ccccc2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(cccc2)Cl",{"$nulls":4},289.92236091200016,"?"]
[5139,"ClC1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C=CC=C1","70362-47-9","Clc1cc(Cl)c(-c2ccccc2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(cccc2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5140,"ClC1=CC(=CC(Cl)=C1Cl)C1=C(Cl)C=CC=C1","70362-48-0","Clc1ccccc1-c1cc(Cl)c(Cl)c(Cl)c1","Clc1c(cccc1)-c2cc(c(c(c2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5141,null,"70404-40-9",{"$nulls":7},""]
[5142,"ClC1=CC(=C(Cl)C=C1)C1=CC(Cl)=C(Cl)C(Cl)=C1","70424-70-3","Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5143,"Cl.Cl.OCCNCCNC1=CC=C(NCCNCCO)C2=C1C(=O)C1=C(C(O)=CC=C1O)C2=O","70476-82-3","O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21","O=C1c2c(C(c3c1c(O)ccc3O)=O)c(NCCNCCO)ccc2NCCNCCO","Cl","Cl",null,null,516.1542400400007,"?"]
[5144,null,"70561-60-3",{"$nulls":7},""]
[5145,null,"70585-36-3",{"$nulls":7},""]
[5146,"COCC(=O)N([CH](C)C(=O)OC)C1=C(C)C=CC=C1C","70630-17-0","COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC",{"$nulls":4},279.14705815200057,"?"]
[5147,null,"70772-73-5",{"$nulls":7},""]
[5148,null,"71119-13-6",{"$nulls":7},""]
[5149,null,"71119-16-9",{"$nulls":7},""]
[5150,null,"71119-19-2",{"$nulls":7},""]
[5151,null,"71119-21-6",{"$nulls":7},""]
[5152,null,"71119-24-9",{"$nulls":7},""]
[5153,"NC1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)S1","71119-25-0","Nc1ccc(S(=O)(=O)Nc2nnc(N)s2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2sc(nn2)N",{"$nulls":4},271.0197665280002,"?"]
[5154,"CCCC1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)S1","71119-32-9","CCCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CCCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},298.0558176880004,"?"]
[5155,null,"71119-34-1",{"$nulls":7},""]
[5156,null,"71119-36-3",{"$nulls":7},""]
[5157,null,"71119-38-5",{"$nulls":7},""]
[5158,null,"71119-39-6",{"$nulls":7},""]
[5159,"CCOC1=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC=C1","71138-72-2","CCOc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","CCOc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},294.0786613080004,"?"]
[5160,null,"71203-44-6",{"$nulls":7},""]
[5161,"CCOC(=O)[CH](C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1","71283-80-2","CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",{"$nulls":4},361.07170029200046,"?"]
[5162,null,"71548-53-3",{"$nulls":7},""]
[5163,"CN1N=C(C)C(C(=O)C2=C(Cl)C=C(Cl)C=C2)=C1OCC(=O)C1=CC=CC=C1","71561-11-0","Cc1nn(C)c(OCC(=O)c2ccccc2)c1C(=O)c1ccc(Cl)cc1Cl","Cc1c(c(n(n1)C)OCC(=O)c2ccccc2)C(=O)c3c(cc(cc3)Cl)Cl",{"$nulls":4},402.05379773200036,"?"]
[5164,"COC(=O)C(C)N(C(=O)CC1=CC=CC=C1)C1=C(C)C=CC=C1C","71626-11-4","COC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C","COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(cccc2C)C",{"$nulls":4},325.16779359600065,"?"]
[5165,"CC1(C)[CH](C=C(Cl)Cl)[CH]1C(=O)O[CH](C#N)C1=CC(OC2=CC=CC=C2)=CC=C1","71697-59-1","CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},415.07419882800053,"?"]
[5166,null,"71720-65-5",{"$nulls":7},""]
[5167,null,"71720-66-6",{"$nulls":7},""]
[5168,"NC(=O)C(=NO)C(N)=O","71721-66-9","NC(=O)C(=NO)C(N)=O","NC(=O)C(=NO)C(N)=O",{"$nulls":4},131.03309102,"?"]
[5169,"OC(=O)C(Br)=C(Br)Br","71815-46-8","O=C(O)C(Br)=C(Br)Br","O=C(O)C(Br)=C(Br)Br",{"$nulls":4},305.75266557200007,"?"]
[5170,"OC(=O)C(Br)=C(Br)I","71815-47-9","O=C(O)C(Br)=C(Br)I","O=C(O)C(Br)=C(Br)I",{"$nulls":4},353.73880147200003,"?"]
[5171,"CCS(=O)(=O)NS(=O)(=O)CC","71954-28-4","CCS(=O)(=O)NS(=O)(=O)CC","CCS(=O)(=O)NS(=O)(=O)CC",{"$nulls":4},201.012949832,"?"]
[5172,"CS(=O)(=O)NC(=O)C1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O","72178-02-0","CS(=O)(=O)NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CS(=O)(=O)NC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",{"$nulls":4},437.99001938000026,"?"]
[5173,"CCOC(=O)C1(C)OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1","72391-46-9","CCOC(=O)C1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",{"$nulls":4},331.0014278120003,"?"]
[5174,"ClC1=CC2=C(C=C1)N=C([N-][N+]2=O)N1C=CN=C1","72459-58-6","O=[n+]1[n-]c(-n2ccnc2)nc2ccc(Cl)cc21","O=[n+]1[n-]c(-n2ccnc2)nc2ccc(Cl)cc21",{"$nulls":4},247.026087492,"Errors in neutralization"]
[5175,"CCOC(=O)NCCOC1=CC=C(OC2=CC=CC=C2)C=C1","72490-01-8","CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2",{"$nulls":4},301.1314080880005,"?"]
[5176,"CCCCN(CCOC(C)=O)C1=CC(C)=C(C=C1)N=NC1=C(C=C(C=C1C#N)[N+]([O-])=O)C#N","72828-64-9","CCCCN(CCOC(C)=O)c1ccc(N=Nc2c(C#N)cc([N+](=O)[O-])cc2C#N)c(C)c1","CCCCN(CCOC(C)=O)c1cc(c(cc1)N=Nc2c(cc(cc2C#N)[N+](=O)[O-])C#N)C",{"$nulls":4},448.18590324800067,"?"]
[5177,"FC(F)(F)C1=C(SC(Cl)=N1)C(=O)OCC1=CC=CC=C1","72850-64-7","O=C(OCc1ccccc1)c1sc(Cl)nc1C(F)(F)F","O=C(OCc1ccccc1)c2c(nc(s2)Cl)C(F)(F)F",{"$nulls":4},320.9838118040002,"?"]
[5178,null,"72869-86-4",{"$nulls":7},""]
[5179,"CC=CC1=CC(O)=C(O)C=C1","72898-29-4","CC=Cc1ccc(O)c(O)c1","CC=Cc1cc(c(cc1)O)O",{"$nulls":4},150.06807956,"?"]
[5180,"CC(C)=CC1C(C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C","72963-72-5","C#CCN1CC(=O)N(COC(=O)C2C(C=C(C)C)C2(C)C)C1=O","C#CCN1C(N(C(C1)=O)COC(=O)C2C(C2C=C(C)C)(C)C)=O",{"$nulls":4},318.1579571840006,"?"]
[5181,"CN(C(=O)COC1=NC2=CC=CC=C2S1)C1=CC=CC=C1","73250-68-7","CN(C(=O)COc1nc2ccccc2s1)c1ccccc1","CN(C(=O)COc1sc2c(n1)cccc2)c3ccccc3",{"$nulls":4},298.0775986880004,"?"]
[5182,"ClC1=CC(=CC=C1)C1=C(Cl)C=C(Cl)C(Cl)=C1","73575-53-8","Clc1cccc(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(ccc1)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5183,"ClC1=CC=CC=C1C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","73575-56-1","Clc1ccccc1-c1c(Cl)c(Cl)cc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5184,"ClC1=CC=CC(Cl)=C1C1=C(Cl)C(Cl)=C(Cl)C=C1","73575-57-2","Clc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(cccc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5185,"CCC1CCC2(CCC(CC)O2)O1","73727-45-4","CCC1CCC2(CCC(CC)O2)O1","CCC1OC2(CC1)OC(CC2)CC",{"$nulls":4},184.14632988,"?"]
[5186,null,"73747-55-4",{"$nulls":7},""]
[5187,"CC1=CC(C)=NC(=N1)C(N)=O","73937-25-4","Cc1cc(C)nc(C(N)=O)n1","Cc1nc(nc(c1)C)C(N)=O",{"$nulls":4},151.074561908,"?"]
[5188,"FC1=CC=C(C=C1)C(=O)C1CCN(CCN2C(=O)NC3=CC=CC=C3C2=O)CC1","74050-98-9","O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1","O=C(c1ccc(cc1)F)C2CCN(CC2)CCn3c(c4c([nH]c3=O)cccc4)=O",{"$nulls":4},395.16451978400056,"?"]
[5189,null,"74059-43-1",{"$nulls":7},""]
[5190,"NC1=C(C=CC(OC2=CC=CC=C2)=C1Cl)[N+]([O-])=O","74070-46-5","Nc1c([N+](=O)[O-])ccc(Oc2ccccc2)c1Cl","Nc1c(c(ccc1[N+](=O)[O-])Oc2ccccc2)Cl",{"$nulls":4},264.0301698280002,"?"]
[5191,null,"74099-07-3",{"$nulls":7},""]
[5192,null,"74115-24-5",{"$nulls":7},""]
[5193,"COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC1=NC(C)=CC(C)=N1","74222-97-2","COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)C)C",{"$nulls":4},364.0841406120005,"?"]
[5194,"ClC1=CC(=CC=C1)C1=CC=C(Cl)C(Cl)=C1Cl","74338-24-2","Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1","Clc1cc(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5195,"ClC1=CC=C(C=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1","74472-34-7","Clc1ccc(-c2cc(Cl)cc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(cc(c2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5196,"ClC1=CC(=CC=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","74472-36-9","Clc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5197,"ClC1=CC=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1","74472-37-0","Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5198,"ClC1=CC=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","74472-38-1","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5199,"ClC1=CC=C(C=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","74472-42-7","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5200,"ClC1=CC=C(C=C1Cl)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","74472-44-9","Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5201,"ClC1=CC=C(Cl)C(=C1Cl)C1=CC(Cl)=C(Cl)C(Cl)=C1","74472-45-0","Clc1cc(-c2c(Cl)ccc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5202,"ClC1=CC(=CC(Cl)=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","74472-46-1","Clc1cc(Cl)cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5203,"ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","74472-47-2","Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[5204,"ClC1=CC(=CC(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1Cl","74472-50-7","Clc1cc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[5205,"ClC1=CC(=CC(Cl)=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","74472-51-8","Clc1cc(Cl)cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[5206,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","74472-52-9","Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[5207,"ClC1=CC(=CC(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","74472-53-0","Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[5208,"ClC1=CC(Cl)=C(C(Cl)=C1)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl","74487-85-7","Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[5209,"BrC1=CC(C=O)=C(Br)C=C1","74553-29-0","O=Cc1cc(Br)ccc1Br","O=Cc1c(ccc(c1)Br)Br",{"$nulls":4},261.8628889480001,"?"]
[5210,"OS(=O)(=O)C(Cl)S(O)(=O)=O","74692-14-1","O=S(=O)(O)C(Cl)S(=O)(=O)O","O=S(=O)(O)C(Cl)S(=O)(=O)O",{"$nulls":4},209.905957496,"?"]
[5211,null,"74708-88-6",{"$nulls":7},""]
[5212,"CC(C)(C)C(Br)C(O)=NC(C)(C)C1=CC=CC=C1","74712-19-9","CC(C)(N=C(O)C(Br)C(C)(C)C)c1ccccc1","CC(C)(N=C(O)C(Br)C(C)(C)C)c1ccccc1",{"$nulls":4},311.08847642400065,"?"]
[5213,"ClC1=CC=CC(C2=CNC=C2C#N)=C1Cl","74738-17-3","N#Cc1c[nH]cc1-c1cccc(Cl)c1Cl","N#Cc1c(c[nH]c1)-c2c(c(ccc2)Cl)Cl",{"$nulls":4},235.990803552,"?"]
[5214,null,"74778-22-6",{"$nulls":7},""]
[5215,"C#CC(=NOCC1OCCO1)C1=CC=CC=C1","74782-23-3","C#CC(=NOCC1OCCO1)c1ccccc1","C#CC(=NOCC1OCCO1)c2ccccc2",{"$nulls":4},231.089543276,"?"]
[5216,"[H][C](CC1=C(Cl)C=C(Cl)C=C1)([CH](O)C(C)(C)C)N1C=NC=N1","75736-33-3","CC(C)(C)C(O)C(Cc1ccc(Cl)cc1Cl)n1cncn1","CC(C)(C)C(O)C(Cc1c(cc(cc1)Cl)Cl)n2ncnc2",{"$nulls":4},327.0905175880006,"?"]
[5217,"CCOC(=O)[CH](CCC1=CC=CC=C1)N[CH](C)C(=O)N1CCC[CH]1C(O)=O","75847-73-3","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C(=O)O","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C(CCC2)C(=O)O",{"$nulls":4},376.19982199600076,"?"]
[5218,"CCOP(=O)(CC1=CC=C(C=C1)C1=NC2=CC=CC=C2S1)OCC","75889-62-2","CCOP(=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)OCC","CCOP(=O)(Cc1ccc(cc1)-c2sc3c(n2)cccc3)OCC","P[H]OSP[H]ONIC",{"$nulls":3},648.9775469180008,"?"]
[5219,"CCN1CC(=O)N=C1N","76146-27-5","CCN1CC(=O)N=C1N","CCN1C(=NC(C1)=O)N",{"$nulls":4},127.07456190799999,"?"]
[5220,"CC1(C)CC(C(O)=O)C(C)(C)N1","76193-99-2","CC1(C)CC(C(=O)O)C(C)(C)N1","CC1(NC(C(C1)C(=O)O)(C)C)C",{"$nulls":4},171.125928784,"?"]
[5221,null,"76199-02-5",{"$nulls":7},""]
[5222,"OC(=O)C1=C(C(O)=NC2=CC=CC(Cl)=C2Cl)C(Cl)=C(Cl)C(Cl)=C1Cl","76280-91-6","O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(O)=Nc1cccc(Cl)c1Cl","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(O)=Nc2c(c(ccc2)Cl)Cl",{"$nulls":4},444.84005910000013,"?"]
[5223,"OS(=O)(=O)C(Cl)(S(O)(=O)=O)S(O)(=O)=O","76371-36-3","O=S(=O)(O)C(Cl)(S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)C(Cl)(S(=O)(=O)O)S(=O)(=O)O",{"$nulls":4},289.86277235600005,"?"]
[5224,"CCOC(=O)[CH](C)N=C(O)CCl","76385-53-0","CCOC(=O)C(C)N=C(O)CCl","CCOC(=O)C(C)N=C(O)CCl",{"$nulls":4},193.050570924,"?"]
[5225,"CSCOC(=O)C1=CC=CC=C1OC(C)=O","76432-30-9","CSCOC(=O)c1ccccc1OC(C)=O","CSCOC(=O)c1c(cccc1)OC(C)=O",{"$nulls":4},240.045629864,"?"]
[5226,null,"76432-33-2",{"$nulls":7},""]
[5227,"CC(=O)OC1=CC=CC=C1C(=O)OCS(C)(=O)=O","76432-35-4","CC(=O)Oc1ccccc1C(=O)OCS(C)(=O)=O","CC(=O)Oc1c(cccc1)C(=O)OCS(C)(=O)=O",{"$nulls":4},272.0354591040003,"?"]
[5228,null,"76466-16-5",{"$nulls":7},""]
[5229,"CC(OC1=CC=C(OC2=CN=C3C=C(Cl)C=CC3=N2)C=C1)C(O)=O","76578-12-6","CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)O",{"$nulls":4},344.0563845760003,"?"]
[5230,"CCOC(=O)C(C)OC1=CC=C(OC2=CN=C3C=C(Cl)C=CC3=N2)C=C1","76578-14-8","CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",{"$nulls":4},372.08768470400054,"?"]
[5231,"OC(CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=C(F)C=CC=C1","76674-21-0","OC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F","OC(Cn1ncnc1)(c2ccc(cc2)F)c3c(cccc3)F",{"$nulls":4},301.10266847600036,"?"]
[5232,"CC(C)(C)[CH](O)[CH](CC1=CC=C(Cl)C=C1)N1C=NC=N1","76738-62-0","CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Cc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},293.1294899400006,"?"]
[5233,"ClC1=CC(=CC(Cl)=C1Cl)C1=CC=CC(Cl)=C1Cl","76842-07-4","Clc1cc(-c2cccc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(ccc2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5234,null,"77044-59-8",{"$nulls":7},""]
[5235,"[NH4+].CP(O)(=O)CCC(N)C([O-])=O","77182-82-2","CP(=O)(O)CCC(N)C(=O)[O-]","CP(=O)(O)CCC(N)C(=O)O","[NH4+]",{"$nulls":3},198.07694358999998,"Structure has been neutralized"]
[5236,null,"77186-02-8",{"$nulls":7},""]
[5237,"CC(C)C[CH](N)C(O)=N[CH](C)C(O)=NCC(O)=O","77214-70-1","CC(C)CC(N)C(O)=NC(C)C(O)=NCC(=O)O","CC(C)CC(N)C(O)=NC(C)C(O)=NCC(=O)O",{"$nulls":4},259.1532061520001,"?"]
[5238,"CCOC(=O)N(C)CC","77333-18-7","CCOC(=O)N(C)CC","CCOC(=O)N(C)CC",{"$nulls":4},131.094628656,"?"]
[5239,"CCCSP(=O)(OCC)OC1=CN(N=C1)C1=CC=C(Cl)C=C1","77458-01-6","CCCSP(=O)(OCC)Oc1cnn(-c2ccc(Cl)cc2)c1","CCCSP(=O)(OCC)Oc1cn(nc1)-c2ccc(cc2)Cl",{"$nulls":4},360.04642774600046,"?"]
[5240,"CCOC(=O)C(C)OC(=O)C1=C(C=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=C1)[N+]([O-])=O","77501-63-4","CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOC(=O)C(C)OC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",{"$nulls":4},461.0489141600004,"?"]
[5241,"CCOC(=O)COC(=O)C1=C(C=CC(OC2=C(Cl)C=C(C=C2)C(F)(F)F)=C1)[N+]([O-])=O","77501-90-7","CCOC(=O)COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOC(=O)COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",{"$nulls":4},447.0332640960003,"?"]
[5242,"CCOC(CC(C)O)OCC","77533-80-3","CCOC(CC(C)O)OCC","CCOC(CC(C)O)OCC",{"$nulls":4},162.125594436,"?"]
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[5244,null,"77633-51-3",{"$nulls":7},""]
[5245,"COCC(=O)N(N1CCOC1=O)C1=C(C)C=CC=C1C","77732-09-3","COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O","COCC(=O)N(c1c(cccc1C)C)N2C(OCC2)=O",{"$nulls":4},278.1266570560005,"?"]
[5246,null,"78002-37-6",{"$nulls":7},""]
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[5248,null,"78183-37-6",{"$nulls":7},""]
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[5251,"CCOC(=O)NCCOC1=CC=C(OC2=CC=CC=C2)C=C1","79127-80-3","CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2",{"$nulls":4},301.1314080880005,"?"]
[5252,null,"79241-46-6",{"$nulls":7},""]
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[5254,"CC1=C(F)C(F)=C(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)C(F)=C1F","79538-32-2","Cc1c(F)c(F)c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)c(F)c1F","Cc1c(c(c(c(c1F)F)COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)F)F",{"$nulls":4},418.0570549080004,"?"]
[5255,"CCOCOC1=CC=C(C=C1)C(=O)NC1=CC=CC(Cl)=C1Cl","79540-50-4","CCOCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1","CCOCOc1ccc(cc1)C(=O)Nc2c(c(ccc2)Cl)Cl",{"$nulls":4},339.0428987000004,"?"]
[5256,"CCC(CC)C(=O)N(CC)CC","79868-38-5","CCC(CC)C(=O)N(CC)CC","CCC(CC)C(=O)N(CC)CC",{"$nulls":4},171.162314292,"?"]
[5257,"CCC(C)(C)C(=O)O[CH]1C[CH](C)C=C2C=C[CH](C)[CH](CC[CH]3C[CH](O)CC(=O)O3)[CH]12","79902-63-9","CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21","CCC(C)(C)C(=O)OC1C2C(=CC(C1)C)C=CC(C)C2CCC3OC(CC(C3)O)=O",{"$nulls":4},418.271924316001,"?"]
[5258,"CCCCC(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1Cl","79983-71-4","CCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl","CCCCC(O)(Cn1ncnc1)c2c(cc(cc2)Cl)Cl",{"$nulls":4},313.07486752400047,"?"]
[5259,"CC(C)C1=CC(OC2=CC=CC=C2)=CC(C(C)C)=C1NC(=S)NC(C)(C)C","80060-09-9","CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C","CC(C)c1c(c(cc(c1)Oc2ccccc2)C(C)C)NC(=S)NC(C)(C)C",{"$nulls":4},384.22353464400095,"?"]
[5260,null,"80844-07-1",{"$nulls":7},""]
[5261,"CC(C)C1(C)N=C(NC1=O)C1=NC=CC=C1C(O)=O","81334-34-1","CC(C)C1(C)N=C(c2ncccc2C(=O)O)NC1=O","CC(C)C1(C(NC(=N1)c2c(cccn2)C(=O)O)=O)C",{"$nulls":4},261.11134134000014,"?"]
[5262,"CC(C)C1(C)N=C(NC1=O)C1=NC2=C(C=CC=C2)C=C1C(O)=O","81335-37-7","CC(C)C1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O","CC(C)C1(C(NC(=N1)c2c(cc3c(n2)cccc3)C(=O)O)=O)C",{"$nulls":4},311.1269914040004,"?"]
[5263,"CCC1=CN=C(C2=NC(C)(C(C)C)C(=O)N2)C(=C1)C(O)=O","81335-77-5","CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1","CCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O",{"$nulls":4},289.14264146800053,"?"]
[5264,null,"81405-85-8",{"$nulls":7},""]
[5265,"CCCCCCC(C)OC(=O)COC1=NC(F)=C(Cl)C(N)=C1Cl","81406-37-3","CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl","CCCCCCC(C)OC(=O)COc1c(c(c(c(n1)F)Cl)N)Cl",{"$nulls":4},366.0913261120006,"?"]
[5266,"CCCCCCCCN=C(O)C1=CN=CC=C1","81475-34-5","CCCCCCCCN=C(O)c1cccnc1","CCCCCCCCN=C(O)c1cnccc1",{"$nulls":4},234.173213324,"?"]
[5267,"CCCCCCCCCN=C(O)C1=CN=CC=C1","81475-35-6","CCCCCCCCCN=C(O)c1cccnc1","CCCCCCCCCN=C(O)c1cnccc1",{"$nulls":4},248.188863388,"?"]
[5268,"CCCCCCCCCCNC(=O)C1=CN=CC=C1","81475-36-7","CCCCCCCCCCNC(=O)c1cccnc1","CCCCCCCCCCNC(=O)c1cnccc1",{"$nulls":4},262.2045134520002,"?"]
[5269,"CCCCCCCCCCCN=C(O)C1=CN=CC=C1","81475-37-8","CCCCCCCCCCCN=C(O)c1cccnc1","CCCCCCCCCCCN=C(O)c1cnccc1",{"$nulls":4},276.2201635160006,"?"]
[5270,"CCCCCCCCCCCCNC(=O)C1=CN=CC=C1","81475-38-9","CCCCCCCCCCCCNC(=O)c1cccnc1","CCCCCCCCCCCCNC(=O)c1cnccc1",{"$nulls":4},290.2358135800008,"?"]
[5271,"CC1(C)CON(CC2=C(Cl)C=CC=C2)C1=O","81777-89-1","CC1(C)CON(Cc2ccccc2Cl)C1=O","CC1(C(N(OC1)Cc2c(cccc2)Cl)=O)C",{"$nulls":4},239.071306368,"?"]
[5272,null,"81882-67-9",{"$nulls":7},""]
[5273,"COC1=NC(C)=NC(NC(=O)NS(=O)(=O)C2=C(OCCCl)C=CC=C2)=N1","82097-50-5","COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1","COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c2c(cccc2)OCCCl",{"$nulls":4},401.0560672920005,"?"]
[5274,"CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1","82110-72-3","CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",{"$nulls":4},361.07170029200046,"?"]
[5275,"ON=C1C=CC(=NO)C2=C1C=CC=N2","82153-77-3","ON=C1C=CC(=NO)c2ncccc21","ON=C1c2c(C(C=C1)=NO)nccc2",{"$nulls":4},189.053826464,"?"]
[5276,null,"82200-72-4",{"$nulls":7},""]
[5277,"OC(C1=CC=CC=C1)C1=C(NC(=O)C2=CC=NC=C2)C=CC(Cl)=C1","82211-24-3","O=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccncc1","O=C(Nc1c(cc(cc1)Cl)C(O)c2ccccc2)c3ccncc3",{"$nulls":4},338.0822054000004,"?"]
[5278,null,"82310-91-6",{"$nulls":7},""]
[5279,"CCC(C)(CC)C1=NOC(NC(=O)C2=C(OC)C=CC=C2OC)=C1","82558-50-7","CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1","CCC(C)(CC)c1noc(c1)NC(=O)c2c(cccc2OC)OC",{"$nulls":4},332.1736072480007,"?"]
[5280,"CCOC(=O)CCN(SN(C)C(=O)OC1=CC=CC2=C1OC(C)(C)C2)C(C)C","82560-54-1","CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(C)C","CCOC(=O)CCN(SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C)C(C)C",{"$nulls":4},410.1875430600008,"?"]
[5281,"CCOC(C)CCO","82655-81-0","CCOC(C)CCO","CCOC(C)CCO",{"$nulls":4},118.099379688,"?"]
[5282,"CC1=C(C=CC=C1COC(=O)[CH]1[CH](C=C(Cl)C(F)(F)F)C1(C)C)C1=CC=CC=C1","82657-04-3","Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1","Cc1c(cccc1COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)-c3ccccc3",{"$nulls":4},422.1260422840006,"?"]
[5283,"CN1N=C(C)C(C(=O)C2=C(Cl)C(C)=C(Cl)C=C2)=C1OCC(=O)C1=CC=C(C)C=C1","82692-44-2","Cc1ccc(C(=O)COc2c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn2C)cc1","Cc1ccc(cc1)C(=O)COc2n(nc(c2C(=O)c3c(c(c(cc3)Cl)C)Cl)C)C",{"$nulls":4},430.0850978600005,"?"]
[5284,null,"82971-12-8",{"$nulls":7},""]
[5285,"COC(=O)C1=C(CS(=O)(=O)NC(=O)NC2=NC(OC)=CC(OC)=N2)C=CC=C1","83055-99-6","COC(=O)c1ccccc1CS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","COC(=O)c1c(cccc1)CS(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",{"$nulls":4},410.0896199160005,"?"]
[5286,"FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=C(F)C(Cl)=C(F)C(Cl)=C1","83121-18-0","O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(F)c(Cl)c1F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(c(c(c(c2)Cl)F)Cl)F",{"$nulls":4},379.97424567200017,"?"]
[5287,null,"83130-01-2",{"$nulls":7},""]
[5288,"FC1=CC=C(NC(=O)C2=C(OC3=CC(=CC=C3)C(F)(F)F)N=CC=C2)C(F)=C1","83164-33-4","O=C(Nc1ccc(F)cc1F)c1cccnc1Oc1cccc(C(F)(F)F)c1","O=C(Nc1c(cc(cc1)F)F)c2c(nccc2)Oc3cc(ccc3)C(F)(F)F",{"$nulls":4},394.07406869200037,"?"]
[5289,"OC(=O)C(I)=C(Br)I","83442-56-2","O=C(O)C(I)=C(Br)I","O=C(O)C(I)=C(Br)I",{"$nulls":4},401.72493737200006,"?"]
[5290,null,"83572-31-0",{"$nulls":7},""]
[5291,"CC(C)(C)[CH](O)C(=CC1=CC=C(Cl)C=C1)N1C=NC=N1","83657-17-4","CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},291.11383987600055,"?"]
[5292,"CC(C)(C)C(O)C(=CC1=CC=C(Cl)C=C1)N1C=NC=N1","83657-22-1","CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},291.11383987600055,"?"]
[5293,"CC(C)(C)C(O)C(=CC1=C(Cl)C=C(Cl)C=C1)N1C=NC=N1","83657-24-3","CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1Cl)n1cncn1","CC(C)(C)C(O)C(=Cc1c(cc(cc1)Cl)Cl)n2ncnc2",{"$nulls":4},325.0748675240005,"?"]
[5294,"CCCC(=O)N(CSP(=S)(OC)OC)C1=CC=CC=C1Cl","83733-82-8","CCCC(=O)N(CSP(=S)(OC)OC)c1ccccc1Cl","CCCC(=O)N(CSP(=S)(OC)OC)c1c(cccc1)Cl",{"$nulls":4},367.02324977800055,"?"]
[5295,"OC(=O)C1=C2N=CC=CC2=C(C=C1)N(=O)=O","83848-59-3","O=C(O)c1ccc([N+](=O)[O-])c2cccnc12","O=C(O)c1c2c(c(cc1)[N+](=O)[O-])cccn2",{"$nulls":4},218.032756672,"?"]
[5296,"OS(=O)(=O)C1=CC2=C(OC3=CC=CC=C23)C=C1","83863-63-2","O=S(=O)(O)c1ccc2oc3ccccc3c2c1","O=S(=O)(O)c1cc2c(cc1)oc3c2cccc3",{"$nulls":4},248.014329736,"?"]
[5297,"O.O.NCCCC[CH](N[CH](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[CH]1C(O)=O","83915-83-7","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N2C(CCC2)C(=O)O","O","O",null,null,441.2475004600008,"?"]
[5298,"CCOC(=O)C1(C)OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1","84332-86-5","CCOC(=O)C1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",{"$nulls":4},331.0014278120003,"?"]
[5299,null,"84408-37-7",{"$nulls":7},""]
[5300,"CC(OC1=C(Cl)C(C)=C(Cl)C=C1)C(O)=NC1=CC=CC=C1","84496-56-0","Cc1c(Cl)ccc(OC(C)C(O)=Nc2ccccc2)c1Cl","Cc1c(c(ccc1Cl)OC(C)C(O)=Nc2ccccc2)Cl",{"$nulls":4},323.04798408000045,"?"]
[5301,"CCCCCSS(=O)CCCCC","84549-06-4","CCCCCSS(=O)CCCCC","CCCCCSS(=O)CCCCC",{"$nulls":4},222.111207324,"?"]
[5302,"COCCCCC=O","84629-00-5","COCCCCC=O","COCCCCC=O",{"$nulls":4},116.083729624,"?"]
[5303,"OC(=O)C1=CC(=O)N=C(N1)C1=CC=CC=C1","84659-98-3","O=C(O)c1cc(=O)nc(-c2ccccc2)[nH]1","O=C(O)c1[nH]c(nc(c1)=O)-c2ccccc2",{"$nulls":4},216.053492116,"?"]
[5304,"CCC(=O)OCC1=C(Cl)C=C(Cl)C=C1","85262-94-8","CCC(=O)OCc1ccc(Cl)cc1Cl","CCC(=O)OCc1c(cc(cc1)Cl)Cl",{"$nulls":4},232.00578492,"?"]
[5305,"C[Si](CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1","85509-19-9","C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1","C[Si](Cn1ncnc1)(c2ccc(cc2)F)c3ccc(cc3)F",{"$nulls":4},315.1003304500004,"?"]
[5306,null,"85576-52-9",{"$nulls":7},""]
[5307,"OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O","85721-33-1","O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O","O=C(O)c1c(c2c(n(c1)C3CC3)cc(N4CCNCC4)c(F)c2)=O",{"$nulls":4},331.13321965600045,"?"]
[5308,null,"85763-15-1",{"$nulls":7},""]
[5309,"CCN(C(C)C(C)C)C(=O)SCC1=CC=CC=C1","85785-20-2","CCN(C(=O)SCc1ccccc1)C(C)C(C)C","CCN(C(=O)SCc1ccccc1)C(C)C(C)C",{"$nulls":4},265.1500353560003,"?"]
[5310,"COC(=O)C1=C(C=CC=C1)S(=O)(=O)NC(=O)NC1=NC(OC(F)F)=CC(OC(F)F)=N1","86209-51-0","COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC(F)F)OC(F)F",{"$nulls":4},468.03628260400035,"?"]
[5311,"FC(F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl","86479-06-3","O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)F)c(Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(c(c2)Cl)OC(F)(F)C(F)F)Cl",{"$nulls":4},459.9816167960002,"?"]
[5312,"ClC1=CC=C(CSC(CN2C=NC=N2)=NC2=C(Cl)C=C(Cl)C=C2)C=C1","86598-92-7","Clc1ccc(CSC(Cn2cncn2)=Nc2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)CSC(Cn2ncnc2)=Nc3c(cc(cc3)Cl)Cl",{"$nulls":4},409.9926504560004,"?"]
[5313,"CCC1=CC=CC(C)=C1N(COC(C)C)C(=O)CCl","86763-47-5","CCc1cccc(C)c1N(COC(C)C)C(=O)CCl","CCc1c(c(ccc1)C)N(COC(C)C)C(=O)CCl",{"$nulls":4},283.1339066240006,"?"]
[5314,"FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC(OC2=NC=C(C=C2Cl)C(F)(F)F)=C(Cl)C=C1","86811-58-7","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)Cl)Oc3c(cc(cn3)C(F)(F)F)Cl",{"$nulls":4},505.00193764000034,"?"]
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[5555,"OC1=NCCCCCCCCCCCCCCCCC1","109643-95-0","OC1=NCCCCCCCCCCCCCCCCC1","OC=1CCCCCCCCCCCCCCCCCN1",{"$nulls":4},281.2718647400007,"?"]
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[5561,"C[CH](OC1=CC=C(OC2=NC3=C(C=C(Cl)C=C3)N=C2)C=C1)C(=O)OCCON=C(C)C","111479-05-1","CC(C)=NOCCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","CC(C)=NOCCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",{"$nulls":4},443.12479848400056,"?"]
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[5563,null,"111675-77-5",{"$nulls":7},""]
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[5567,null,"111797-49-0",{"$nulls":7},""]
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[5569,"CC(C)(COCC1=CC(OC2=CC=CC=C2)=CC=C1)C1=CC=C(OC(F)(F)Br)C=C1","111872-58-3","CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)(F)Br)cc1","CC(C)(COCc1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)(F)Br",{"$nulls":4},476.07986313600065,"?"]
[5570,null,"112143-82-5",{"$nulls":7},""]
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[5575,null,"113222-29-0",{"$nulls":7},""]
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[5581,"CC[CH]1[CH](C)OC1=O","114592-79-9","CCC1C(=O)OC1C","CCC1C(OC1=O)C",{"$nulls":4},114.06807956,"?"]
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[5583,"CN(CCO)C(=O)COC(=O)C1=CC=CC=C1O","114665-09-7","CN(CCO)C(=O)COC(=O)c1ccccc1O","CN(CCO)C(=O)COC(=O)c1c(cccc1)O",{"$nulls":4},253.09502258,"?"]
[5584,null,"115178-63-7",{"$nulls":7},""]
[5585,null,"115178-64-8",{"$nulls":7},""]
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[5587,null,"115178-68-2",{"$nulls":7},""]
[5588,null,"115178-71-7",{"$nulls":7},""]
[5589,null,"115178-74-0",{"$nulls":7},""]
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[5591,"COC(=O)[CH]1CCCN1C(=O)COC(=O)C1=CC=CC=C1","115178-76-2","COC(=O)C1CCCN1C(=O)COC(=O)c1ccccc1","COC(=O)C1N(CCC1)C(=O)COC(=O)c2ccccc2",{"$nulls":4},291.1106726440005,"?"]
[5592,"CN(C)C(=O)CCOC(=O)C1=CC=CC=C1","115178-77-3","CN(C)C(=O)CCOC(=O)c1ccccc1","CN(C)C(=O)CCOC(=O)c1ccccc1",{"$nulls":4},221.10519334,"?"]
[5593,null,"115178-78-4",{"$nulls":7},""]
[5594,null,"115178-79-5",{"$nulls":7},""]
[5595,null,"115178-80-8",{"$nulls":7},""]
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[5599,null,"115193-30-1",{"$nulls":7},""]
[5600,null,"115193-31-2",{"$nulls":7},""]
[5601,null,"115193-33-4",{"$nulls":7},""]
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[5604,null,"116482-56-5",{"$nulls":7},""]
[5605,null,"116482-75-8",{"$nulls":7},""]
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[5610,null,"116724-10-8",{"$nulls":7},""]
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[5612,null,"116977-37-8",{"$nulls":7},""]
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[5614,null,"117468-79-8",{"$nulls":7},""]
[5615,null,"117608-69-2",{"$nulls":7},""]
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[5619,null,"118247-01-1",{"$nulls":7},""]
[5620,null,"118247-02-2",{"$nulls":7},""]
[5621,null,"118247-03-3",{"$nulls":7},""]
[5622,null,"118247-04-4",{"$nulls":7},""]
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[5624,"CC1OC(=O)C2=C1C=CC(N)=C2","118343-31-0","CC1OC(=O)c2cc(N)ccc21","CC1c2c(C(O1)=O)cc(N)cc2",{"$nulls":4},163.063328528,"?"]
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[5626,null,"118923-30-1",{"$nulls":7},""]
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[5628,null,"118993-57-0",{"$nulls":7},""]
[5629,null,"118993-61-6",{"$nulls":7},""]
[5630,null,"119018-06-3",{"$nulls":7},""]
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[5633,"CC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(OC2=CC=C(Cl)C=C2)C=C1","119446-68-3","CC1COC(Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1","CC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Oc4ccc(cc4)Cl)Cl",{"$nulls":4},405.0646967640005,"?"]
[5634,null,"119731-18-9",{"$nulls":7},""]
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[5636,null,"120068-37-3",{"$nulls":7},""]
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[5638,"CCN(CC1=CC=C(Cl)N=C1)C(NC)=C[N+]([O-])=O","120738-89-8","CCN(Cc1ccc(Cl)nc1)C(=C[N+](=O)[O-])NC","CCN(Cc1cnc(cc1)Cl)C(=C[N+](=O)[O-])NC",{"$nulls":4},270.08835340000036,"?"]
[5639,"CC(C)(C)C1=CC=C(CCOC2=NC=NC3=C2C=CC=C3)C=C1","120928-09-8","CC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1","CC(C)(C)c1ccc(cc1)CCOc2c3c(ncn2)cccc3",{"$nulls":4},306.1732133240006,"?"]
[5640,"COC1=CC=C(NCC(O)CO)C=C1","121082-77-7","COc1ccc(NCC(O)CO)cc1","COc1ccc(cc1)NCC(O)CO",{"$nulls":4},197.10519334,"?"]
[5641,"CC1=NC(NC2=CC=CC=C2)=NC(=C1)C1CC1","121552-61-2","Cc1cc(C2CC2)nc(Nc2ccccc2)n1","Cc1nc(nc(c1)C2CC2)Nc3ccccc3",{"$nulls":4},225.12659748,"?"]
[5642,"CC1(C)OC(CN1C(=O)C(Cl)Cl)C1=CC=CO1","121776-33-8","CC1(C)OC(c2ccco2)CN1C(=O)C(Cl)Cl","CC1(N(CC(O1)c2occc2)C(=O)C(Cl)Cl)C",{"$nulls":4},277.02724863600037,"?"]
[5644,null,"122510-85-4",{"$nulls":7},""]
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[5646,"NC(=O)C[CH](NC(=O)CCl)C(O)=O","122723-93-7","NC(=O)CC(NC(=O)CCl)C(=O)O","NC(=O)CC(NC(=O)CCl)C(=O)O",{"$nulls":4},208.025084448,"?"]
[5647,"CCS(=O)(=O)C1=CC=CN=C1S(=O)(=O)NC(=O)NC1=NC(OC)=CC(OC)=N1","122931-48-0","CCS(=O)(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCS(=O)(=O)c1c(nccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",{"$nulls":4},431.0569398840005,"?"]
[5648,"O=C(OC1CCNCC1)C1=CC=CC=C1","123202-89-1","O=C(OC1CCNCC1)c1ccccc1","O=C(OC1CCNCC1)c2ccccc2",{"$nulls":4},205.11027872,"?"]
[5649,"CC1=NNC(=O)N(C1)N=CC1=CC=CN=C1","123312-89-0","CC1=NNC(=O)N(N=Cc2cccnc2)C1","CC=1CN(C(NN1)=O)N=Cc2cnccc2",{"$nulls":4},217.096359972,"?"]
[5650,"C[CH](O)CCCC=O","123411-56-3","CC(O)CCCC=O","CC(O)CCCC=O",{"$nulls":4},116.083729624,"?"]
[5651,"OC(=O)CCCCCCNS(=O)(=O)C1=CC=CC=C1","123469-53-4","O=C(O)CCCCCCNS(=O)(=O)c1ccccc1","O=C(O)CCCCCCNS(=O)(=O)c1ccccc1",{"$nulls":4},285.10347908800054,"?"]
[5652,"CCOC(=O)C1=C(C([O-])=O)C(OC)=C(OC)C=C1","123796-70-3","CCOC(=O)c1ccc(OC)c(OC)c1C(=O)[O-]","CCOC(=O)c1c(c(c(cc1)OC)OC)C(=O)O",{"$nulls":4},253.071213136,"Structure has been neutralized"]
[5653,"FC1=CC=C(OC2=CC=NC3=CC(Cl)=CC(Cl)=C23)C=C1","124495-18-7","Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1","Fc1ccc(cc1)Oc2c3c(ncc2)cc(Cl)cc3Cl",{"$nulls":4},306.9966974560002,"?"]
[5654,"CC1(C)CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1","125116-23-6","CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1","CC1(C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C",{"$nulls":4},319.14514000400067,"?"]
[5655,"CC(C)C1CCC(CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1","125225-28-7","CC(C)C1CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1","CC(C)C1C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3",{"$nulls":4},333.1607900680007,"?"]
[5656,"CCN(CC)C(=O)N1C=NC(=N1)S(=O)(=O)C1=C(C)C=C(C)C=C1C","125306-83-4","CCN(CC)C(=O)n1cnc(S(=O)(=O)c2c(C)cc(C)cc2C)n1","CCN(CC)C(=O)n1nc(nc1)S(=O)(=O)c2c(cc(cc2C)C)C",{"$nulls":4},350.1412615640006,"?"]
[5657,"CC=CC(=O)NC1=CC=C(O)C=C1","125349-99-7","CC=CC(=O)Nc1ccc(O)cc1","CC=CC(=O)Nc1ccc(cc1)O",{"$nulls":4},177.078978592,"?"]
[5658,null,"125644-63-5",{"$nulls":7},""]
[5659,"CCC(CC)(C#N)C(O)=NC(O)=N","126245-49-6","CCC(C#N)(CC)C(O)=NC(=N)O","CCC(C#N)(CC)C(O)=NC(=N)O",{"$nulls":4},183.100776656,"?"]
[5660,"CCOC1=CC=CC=C1OS(=O)(=O)NC(O)=NC1=NC(OC)=CC(OC)=N1","126801-58-9","CCOc1ccccc1OS(=O)(=O)NC(O)=Nc1nc(OC)cc(OC)n1","CCOc1c(cccc1)OS(=O)(=O)NC(O)=Nc2nc(cc(n2)OC)OC",{"$nulls":4},398.0896199160005,"?"]
[5661,null,"127640-90-8",{"$nulls":7},""]
[5662,null,"128348-32-3",{"$nulls":7},""]
[5663,null,"128348-34-5",{"$nulls":7},""]
[5664,null,"128348-35-6",{"$nulls":7},""]
[5665,null,"128348-42-5",{"$nulls":7},""]
[5666,null,"128348-43-6",{"$nulls":7},""]
[5667,null,"128348-44-7",{"$nulls":7},""]
[5668,"CCOC(=O)C(Cl)CC1=C(Cl)C=C(F)C(=C1)N1N=C(C)N(C(F)F)C1=O","128639-02-1","CCOC(=O)C(Cl)Cc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl","CCOC(=O)C(Cl)Cc1c(cc(c(c1)-n2c(n(c(n2)C)C(F)F)=O)F)Cl",{"$nulls":4},411.03643132800045,"?"]
[5669,null,"128823-80-3",{"$nulls":7},""]
[5670,"CCC1=C(C(O)=O)C(=O)C=NN1C1=CC=C(Cl)C=C1","129025-54-3","CCc1c(C(=O)O)c(=O)cnn1-c1ccc(Cl)cc1","CCc1n(ncc(c1C(=O)O)=O)-c2ccc(cc2)Cl",{"$nulls":4},278.0458198920003,"?"]
[5671,null,"129085-57-0",{"$nulls":7},""]
[5672,null,"129085-58-1",{"$nulls":7},""]
[5673,null,"129586-32-9",{"$nulls":7},""]
[5674,"CN1N=C(C(Cl)=C1OC(F)F)C1=CC(OCC(O)=O)=C(Cl)C=C1F","129630-17-7","Cn1nc(-c2cc(OCC(=O)O)c(Cl)cc2F)c(Cl)c1OC(F)F","Cn1c(c(c(n1)-c2c(cc(c(c2)OCC(=O)O)Cl)F)Cl)OC(F)F",{"$nulls":4},383.9891467880002,"?"]
[5675,"CC1=NC(=C(S1)C(O)=NC1=C(Br)C=C(OC(F)(F)F)C=C1Br)C(F)(F)F","130000-40-7","Cc1nc(C(F)(F)F)c(C(O)=Nc2c(Br)cc(OC(F)(F)F)cc2Br)s1","Cc1sc(c(n1)C(F)(F)F)C(O)=Nc2c(cc(cc2Br)OC(F)(F)F)Br",{"$nulls":4},525.8420919520001,"?"]
[5676,"CCC(NC1=NC=NC(C)=C1Cl)C1=CC=C(OC(F)F)C=C1","130339-07-0","CCC(Nc1ncnc(C)c1Cl)c1ccc(OC(F)F)cc1","CCC(Nc1c(c(ncn1)C)Cl)c2ccc(cc2)OC(F)F",{"$nulls":4},327.09499625200044,"?"]
[5677,"FC1(F)OC2=CC=CC(=C2O1)C1=CNC=C1C#N","131341-86-1","N#Cc1c[nH]cc1-c1cccc2c1OC(F)(F)O2","N#Cc1c(c[nH]c1)-c2c3c(ccc2)OC(O3)(F)F",{"$nulls":4},248.039733872,"?"]
[5678,"CC1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1","131807-57-3","CC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccccc2)C1=O","CC1(C(N(C(O1)=O)Nc2ccccc2)=O)c3ccc(cc3)Oc4ccccc4",{"$nulls":4},374.1266570560005,"?"]
[5679,"COC=C(C(=O)OC)C1=CC=CC=C1OC1=CC(OC2=CC=CC=C2C#N)=NC=N1","131860-33-8","COC=C(C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1","COC=C(C(=O)OC)c1c(cccc1)Oc2ncnc(c2)Oc3c(cccc3)C#N",{"$nulls":4},403.1168206440006,"?"]
[5680,"CC1(C)CCC(=CC2=CC=C(Cl)C=C2)C1(O)CN1C=NC=N1","131983-72-7","CC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn1cncn1","CC1(C(C(CC1)=Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C",{"$nulls":4},317.1294899400006,"?"]
[5681,"CCC1(CC2(CO2)C2=CC(Cl)=CC=C2)C(=O)C2=CC=CC=C2C1=O","133220-30-1","CCC1(CC2(c3cccc(Cl)c3)CO2)C(=O)c2ccccc2C1=O","CCC1(C(c2c(C1=O)cccc2)=O)CC3(OC3)c4cc(ccc4)Cl",{"$nulls":4},340.08662208400045,"?"]
[5682,"CON=C(C(O)=NC)C1=CC=CC=C1OC1=CC=CC=C1","133408-50-1","CN=C(O)C(=NOC)c1ccccc1Oc1ccccc1","CN=C(O)C(=NOC)c1c(cccc1)Oc2ccccc2",{"$nulls":4},284.1160923720005,"?"]
[5683,"CSC(=O)C1=CC=CC2=C1SN=N2","135158-54-2","CSC(=O)c1cccc2nnsc12","CSC(=O)c1c2c(ccc1)nns2",{"$nulls":4},209.992154812,"?"]
[5684,"CN(CC1=CN=C(Cl)C=C1)C(C)=NC#N","135410-20-7","CC(=NC#N)N(C)Cc1ccc(Cl)nc1","CC(=NC#N)N(C)Cc1cnc(cc1)Cl",{"$nulls":4},222.06722403199998,"?"]
[5685,"CCOC(=O)C1=NN(C2=C(Cl)C=C(Cl)C=C2)C(C)(C1)C(=O)OCC","135590-91-9","CCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(C)(C(=O)OCC)C1","CCOC(=O)C=1CC(N(N1)c2c(cc(cc2)Cl)Cl)(C)C(=O)OCC",{"$nulls":4},372.06436241600045,"?"]
[5686,null,"135832-38-1",{"$nulls":7},""]
[5687,null,"135832-39-2",{"$nulls":7},""]
[5688,null,"135832-41-6",{"$nulls":7},""]
[5689,null,"135832-42-7",{"$nulls":7},""]
[5690,null,"135832-45-0",{"$nulls":7},""]
[5691,null,"135832-46-1",{"$nulls":7},""]
[5692,null,"135832-47-2",{"$nulls":7},""]
[5693,null,"135832-48-3",{"$nulls":7},""]
[5694,null,"135832-50-7",{"$nulls":7},""]
[5695,null,"135832-51-8",{"$nulls":7},""]
[5696,"CN(C)C1=NC(OCC(F)(F)F)=NC(NC(=O)NS(=O)(=O)C2=C(C)C=CC=C2C(O)=O)=N1","135990-29-3","Cc1cccc(C(=O)O)c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(N(C)C)n1","Cc1c(c(ccc1)C(=O)O)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OCC(F)(F)F)N(C)C",{"$nulls":4},478.0882379240004,"?"]
[5697,"CON=C(C)C1=CC=CC(OC2=NC(OC)=CC(OC)=N2)=C1C(=O)OC","136191-64-5","CON=C(C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OC","CON=C(C)c1c(c(ccc1)Oc2nc(cc(n2)OC)OC)C(=O)OC",{"$nulls":4},361.1273853280005,"?"]
[5698,"FC1=CC2=C(C=C1)N=C(N1C=NC=N1)N(C2=O)C1=C(Cl)C=C(Cl)C=C1","136426-54-5","O=c1c2cc(F)ccc2nc(-n2cncn2)n1-c1ccc(Cl)cc1Cl","O=c1n(c(nc2c1cc(F)cc2)-n3ncnc3)-c4c(cc(cc4)Cl)Cl",{"$nulls":4},375.0089934560002,"?"]
[5699,"COC1=CC(OC)=NC(N=C(O)NS(=O)(=O)NC2=CC=CC=C2C(=O)C2CC2)=N1","136849-15-5","COc1cc(OC)nc(N=C(O)NS(=O)(=O)Nc2ccccc2C(=O)C2CC2)n1","COc1nc(nc(c1)OC)N=C(O)NS(=O)(=O)Nc2c(cccc2)C(=O)C3CC3",{"$nulls":4},421.10560432800054,"?"]
[5700,"CCOC(=O)C(=CC1=CC2=C(OCO2)C=C1)N=CO","136986-57-7","CCOC(=O)C(=Cc1ccc2c(c1)OCO2)N=CO","CCOC(=O)C(=Cc1cc2c(cc1)OCO2)N=CO",{"$nulls":4},263.0793725160002,"?"]
[5701,"CCOC(=O)C(=CC1=CC(OC)=C(OC)C=C1)N=CO","136986-58-8","CCOC(=O)C(=Cc1ccc(OC)c(OC)c1)N=CO","CCOC(=O)C(=Cc1cc(c(cc1)OC)OC)N=CO",{"$nulls":4},279.1106726440005,"?"]
[5702,"CCOC(=O)C(=CC1=CC=C(OC)C=C1)N=CO","136986-59-9","CCOC(=O)C(=Cc1ccc(OC)cc1)N=CO","CCOC(=O)C(=Cc1ccc(cc1)OC)N=CO",{"$nulls":4},249.10010796,"?"]
[5703,"CCOC(=O)C(=CC1=CC=C(C=C1)N(=O)=O)N=CO","136986-60-2","CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)N=CO","CCOC(=O)C(=Cc1ccc(cc1)[N+](=O)[O-])N=CO",{"$nulls":4},264.07462148400026,"?"]
[5704,"CCOC(=O)C(=CC1=CC(=CC=C1)N(=O)=O)N=CO","136986-61-3","CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)N=CO","CCOC(=O)C(=Cc1cc(ccc1)[N+](=O)[O-])N=CO",{"$nulls":4},264.07462148400026,"?"]
[5705,"CCOC(=O)C(=CC1=CC=C(Cl)C=C1)N=CO","136986-62-4","CCOC(=O)C(=Cc1ccc(Cl)cc1)N=CO","CCOC(=O)C(=Cc1ccc(cc1)Cl)N=CO",{"$nulls":4},253.050570924,"?"]
[5706,null,"136991-36-1",{"$nulls":7},""]
[5707,"CCOC(=O)C(=CC1=CC(Cl)=CC=C1)N=CO","137013-29-7","CCOC(=O)C(=Cc1cccc(Cl)c1)N=CO","CCOC(=O)C(=Cc1cc(ccc1)Cl)N=CO",{"$nulls":4},253.050570924,"?"]
[5708,"[O-][N+](=O)N=C1NCCN1CC1=CN=C(Cl)C=C1","138261-41-3","O=[N+]([O-])N=C1NCCN1Cc1ccc(Cl)nc1","O=[N+]([O-])N=C1N(CCN1)Cc2cnc(cc2)Cl",{"$nulls":4},255.05230224,"?"]
[5709,"COC1=NC2=NC(=NN2C(OC)=C1)S(=O)(=O)NC1=C(Cl)C(C)=CC=C1Cl","139528-85-1","COc1cc(OC)n2nc(S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl)nc2n1","COc1nc2n(c(c1)OC)nc(S(=O)(=O)Nc3c(c(ccc3Cl)C)Cl)n2",{"$nulls":4},417.00653025600036,"?"]
[5710,"CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1=C(ON=C1)C1CC1","141112-29-0","CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1","CS(=O)(=O)c1c(ccc(c1)C(F)(F)F)C(=O)c2c(onc2)C3CC3",{"$nulls":4},359.04391352400035,"?"]
[5711,"CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC1=NC(OC)=CC(OC)=N1","141776-32-1","CCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCS(=O)(=O)c1c(n2c(n1)cccc2)S(=O)(=O)NC(=O)Nc3nc(cc(n3)OC)OC",{"$nulls":4},470.06783891600054,"?"]
[5712,"CC(C)N(C(=O)COC1=NN=C(S1)C(F)(F)F)C1=CC=C(F)C=C1","142459-58-3","CC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1","CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c2ccc(cc2)F",{"$nulls":4},363.06646053600036,"?"]
[5713,"CON=C(C(=O)OC)C1=C(COC2=C(C)C=CC=C2)C=CC=C1","143390-89-0","CON=C(C(=O)OC)c1ccccc1COc1ccccc1C","CON=C(C(=O)OC)c1c(cccc1)COc2c(cccc2)C",{"$nulls":4},313.1314080880005,"?"]
[5714,"CC1=CC(C)=NC(NC(=O)NS(=O)(=O)C2=C(C=CC=C2)C(=O)OC2COC2)=N1","144651-06-9","Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC2COC2)n1","Cc1nc(nc(c1)C)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC3COC3",{"$nulls":4},406.0947052960005,"?"]
[5715,"COC(=O)C1(CC1)S(=O)(=O)C1=CC=C(C)C=C1","145348-19-2","COC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CC1","COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C",{"$nulls":4},254.061279928,"?"]
[5716,"CCOC(=O)C1(CC1)S(=O)(=O)C1=CC=C(C)C=C1","145348-20-5","CCOC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CC1","CCOC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C",{"$nulls":4},268.0769299920003,"?"]
[5717,"CC(C)OC(=O)C1(CC1)S(=O)(=O)C1=CC=C(C)C=C1","145348-21-6","Cc1ccc(S(=O)(=O)C2(C(=O)OC(C)C)CC2)cc1","Cc1ccc(cc1)S(=O)(=O)C2(CC2)C(=O)OC(C)C",{"$nulls":4},282.09258005600054,"?"]
[5718,"COC(=O)C1(CC1)S(=O)(=O)C1=CC=C(Cl)C=C1","145348-22-7","COC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1","COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",{"$nulls":4},274.0066575120003,"?"]
[5719,"CC(C)OC(=O)C1(CC1)S(=O)(=O)C1=CC=C(Cl)C=C1","145348-23-8","CC(C)OC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1","CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",{"$nulls":4},302.0379576400004,"?"]
[5720,"CC(C)(C)OC(=O)C1(CC1)S(=O)(=O)C1=CC=C(Cl)C=C1","145348-24-9","CC(C)(C)OC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1","CC(C)(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",{"$nulls":4},316.05360770400046,"?"]
[5721,"COC(=O)C1(CC1)S(=O)(=O)C1=CC=C(Br)C=C1","145348-25-0","COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CC1","COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Br",{"$nulls":4},317.9561419320003,"?"]
[5722,"COC(=O)C1(CC1)S(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O","145348-26-1","COC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1","COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},285.03070807200027,"?"]
[5723,"CC(C)OC(=O)C1(CC1)S(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O","145348-27-2","CC(C)OC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1","CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},313.0620082000004,"?"]
[5724,"N[CH]1[CH]2CN(C[CH]12)C1=C(F)C=C2C(=O)C(=CN(C3=CC=C(F)C=C3F)C2=N1)C(O)=O","147059-72-1","NC1C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC12","NC1C2C1CN(c3c(cc4c(n3)n(cc(c4=O)C(=O)O)-c5c(cc(cc5)F)F)F)C2",{"$nulls":4},416.1096250000004,"?"]
[5725,"CCOC1=NC(F)=CC2=NC(=NN12)S(=O)(=O)NC1=C(C=CC=C1Cl)C(=O)OC","147150-35-4","CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3C(=O)OC)nn12","CCOc1n2c(cc(n1)F)nc(S(=O)(=O)Nc3c(cccc3Cl)C(=O)OC)n2",{"$nulls":4},429.0309954160003,"?"]
[5726,"COC1=C(NNC(=O)OC(C)C)C=C(C=C1)C1=CC=CC=C1","149877-41-8","COc1ccc(-c2ccccc2)cc1NNC(=O)OC(C)C","COc1c(cc(cc1)-c2ccccc2)NNC(=O)OC(C)C",{"$nulls":4},300.1473925000006,"?"]
[5727,"CC1=C(C(=O)N(CO1)C(C)(C)C1=CC(Cl)=CC(Cl)=C1)C1=CC=CC=C1","153197-14-9","CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)CO1","CC=1OCN(C(C1c2ccccc2)=O)C(C)(C)c3cc(cc(c3)Cl)Cl",{"$nulls":4},375.07928420800056,"?"]
[5728,"CCOC1=C(C=CC(=C1)C(C)(C)C)C1COC(=N1)C1=C(F)C=CC=C1F","153233-91-1","CCOc1cc(C(C)(C)C)ccc1C1COC(c2c(F)cccc2F)=N1","CCOc1c(ccc(c1)C(C)(C)C)C2N=C(OC2)c3c(cccc3F)F",{"$nulls":4},359.1696854160007,"?"]
[5729,null,"154486-27-8",{"$nulls":7},""]
[5730,"ClC1=CC(Cl)=C(OC2=CC(Cl)=CC=C2)C=C1","155999-93-2","Clc1cccc(Oc2ccc(Cl)cc2Cl)c1","Clc1cc(ccc1)Oc2c(cc(cc2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5731,"ClC1=CC=C(OC2=CC=CC(Cl)=C2Cl)C=C1","157683-71-1","Clc1ccc(Oc2cccc(Cl)c2Cl)cc1","Clc1ccc(cc1)Oc2c(c(ccc2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5732,"ClC1=CC=C(OC2=C(Cl)C=CC=C2Cl)C=C1","157683-72-2","Clc1ccc(Oc2c(Cl)cccc2Cl)cc1","Clc1ccc(cc1)Oc2c(cccc2Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5733,"CCN(C1CCCCC1)C(=O)N1N=NN(C1=O)C1=CC=CC=C1Cl","158237-07-1","CCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCCC1","CCN(C(=O)n1c(n(nn1)-c2c(cccc2)Cl)=O)C3CCCCC3",{"$nulls":4},349.1305525600006,"?"]
[5734,"CC(C)OC(=O)C1(CCC1)S(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O","160790-03-4","CC(C)OC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1","CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},327.0776582640005,"?"]
[5735,"CC(C)OC(=O)C1(CCCCC1)S(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O","160790-04-5","CC(C)OC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1","CC(C)OC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},355.1089583920006,"?"]
[5736,"CC(C)OC(=O)C1(CCCCCC1)S(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O","160790-05-6","CC(C)OC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCCC1","CC(C)OC(=O)C1(CCCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},369.12460845600066,"?"]
[5737,"COC(=O)C1(CCC1)S(=O)(=O)C1=CC=C(Br)C=C1","160790-06-7","COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCC1","COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Br",{"$nulls":4},331.9717919960004,"?"]
[5738,"COC(=O)C1(CCCC1)S(=O)(=O)C1=CC=C(Br)C=C1","160790-07-8","COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1","COC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Br",{"$nulls":4},345.98744206000043,"?"]
[5739,"COC(=O)C1(CCCCC1)S(=O)(=O)C1=CC=C(Br)C=C1","160790-08-9","COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCCC1","COC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)Br",{"$nulls":4},360.0030921240005,"?"]
[5740,"COC(=O)C1(CCC1)S(=O)(=O)C1=CC=C(Cl)C=C1","160790-09-0","COC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCC1","COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Cl",{"$nulls":4},288.02230757600034,"?"]
[5741,"CC(C)OC(=O)C1(CCCC1)S(=O)(=O)C1=CC=C(Cl)C=C1","160790-10-3","CC(C)OC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1","CC(C)OC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Cl",{"$nulls":4},330.0692577680005,"?"]
[5742,"CC(C)OC(=O)C1(CCC1)S(=O)(=O)C1=CC=CC=C1","160790-13-6","CC(C)OC(=O)C1(S(=O)(=O)c2ccccc2)CCC1","CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccccc2",{"$nulls":4},282.09258005600054,"?"]
[5743,"CCOC(=O)C1(CCC1)S(=O)(=O)C1=CC=C(C)C=C1","160790-14-7","CCOC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCC1","CCOC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)C",{"$nulls":4},282.09258005600054,"?"]
[5744,"COC(=O)C1(CCC1)S(=O)(=O)C1=CC=CC=C1","160790-17-0","COC(=O)C1(S(=O)(=O)c2ccccc2)CCC1","COC(=O)C1(CCC1)S(=O)(=O)c2ccccc2",{"$nulls":4},254.061279928,"?"]
[5745,"COC(=O)C1(CCCC1)S(=O)(=O)C1=CC=CC=C1","160790-18-1","COC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1","COC(=O)C1(CCCC1)S(=O)(=O)c2ccccc2",{"$nulls":4},268.0769299920003,"?"]
[5746,"COC(=O)C1(CCCCC1)S(=O)(=O)C1=CC=CC=C1","160790-19-2","COC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1","COC(=O)C1(CCCCC1)S(=O)(=O)c2ccccc2",{"$nulls":4},282.09258005600054,"?"]
[5747,"CC(C)C(C(=O)OC(C#N)C1=CC(OC2=CC=C(Br)C=C2)=CC=C1)C1=CC=C(OC(F)F)C=C1","160791-64-0","CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccc(Br)cc2)c1)c1ccc(OC(F)F)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccc(cc2)Br)c3ccc(cc3)OC(F)F",{"$nulls":4},529.0700267240005,"?"]
[5748,"COC1=CC=CC(C(=O)NN(C(=O)C2=CC(C)=CC(C)=C2)C(C)(C)C)=C1C","161050-58-4","COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C","COc1c(c(ccc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C)C",{"$nulls":4},368.2099927560008,"?"]
[5749,"ClC1=CC(OC2=CC=CC=C2)=C(Cl)C(Cl)=C1","162853-24-9","Clc1cc(Cl)c(Cl)c(Oc2ccccc2)c1","Clc1cc(c(c(c1)Cl)Cl)Oc2ccccc2",{"$nulls":4},271.95624788400016,"?"]
[5750,"ClC1=C(Cl)C(OC2=CC=CC=C2)=C(Cl)C=C1","162853-25-0","Clc1ccc(Cl)c(Oc2ccccc2)c1Cl","Clc1c(c(c(cc1)Cl)Oc2ccccc2)Cl",{"$nulls":4},271.95624788400016,"?"]
[5751,"CC(C)OC(=O)C1=CC(C2=NN(C)C(=C2Br)C(F)(F)F)=C(F)C=C1Cl","174514-07-9","CC(C)OC(=O)c1cc(-c2nn(C)c(C(F)(F)F)c2Br)c(F)cc1Cl","CC(C)OC(=O)c1c(cc(c(c1)-c2c(c(n(n2)C)C(F)(F)F)Br)F)Cl",{"$nulls":4},441.97068028400037,"?"]
[5752,"COC1=C(OC)C=C(C=C1)C(C)OCC#CC","185676-84-0","CC#CCOC(C)c1ccc(OC)c(OC)c1","CC#CCOC(C)c1cc(c(cc1)OC)OC",{"$nulls":4},234.125594436,"?"]
[5753,"CCOC(=O)C(=CC1=CC=CC=C1Cl)N=CO","336111-17-2","CCOC(=O)C(=Cc1ccccc1Cl)N=CO","CCOC(=O)C(=Cc1c(cccc1)Cl)N=CO",{"$nulls":4},253.050570924,"?"]
[5754,null,"336111-18-3",{"$nulls":7},""]
[5755,null,"SRC002-52-9",{"$nulls":7},""]
[5756,null,"SRC003-41-9",{"$nulls":7},""]
[5757,null,"SRC003-42-0",{"$nulls":7},""]
[5758,null,"SRC003-56-1",{"$nulls":7},""]
[5759,null,"SRC003-56-2",{"$nulls":7},""]
[5760,null,"SRC003-67-2",{"$nulls":7},""]
[5761,null,"SRC003-67-3",{"$nulls":7},""]
[5762,null,"SRC003-67-4",{"$nulls":7},""]
[5763,null,"SRC003-67-5",{"$nulls":7},""]
[5764,null,"SRC003-73-3",{"$nulls":7},""]

{"sheet":"Counterions_CIR_Name","index":9,"n_rows":5762,"n_cols":12,"rows_kept":5762}
["Original ID","smiles","CAS_NO","Main molecule","smiles - Neutralized","Counterion 1","Counterion 2","Counterion 3","Counterion 4","Molecular Weight","Warnings - Neutralization","Counterion 5"]
[1,"C=O","50-00-0","C=O","C=O",{"$nulls":4},30.010564684,"?"]
[2,"C[CH]1C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]2(C)[C]1(O)C(=O)CO","50-02-2","CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",{"$nulls":4},392.19990224800074,"?"]
[3,"CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C","50-03-3","CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O",{"$nulls":4},404.2198887440009,"?"]
[4,"CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3C(=O)C[C]12C","50-04-4","CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(=O)C2)C)O",{"$nulls":4},402.20423868000086,"?"]
[5,"CCC1(C(=O)NC(=O)NC1=O)c2ccccc2","50-06-6","CCC1(c2ccccc2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)c2ccccc2",{"$nulls":4},232.084792244,"?"]
[6,"CCC1(CC)C(=O)NC(=O)N(C)C1=O","50-11-3","CCC1(CC)C(=O)NC(=O)N(C)C1=O","CCC1(C(N(C(NC1=O)=O)C)=O)CC",{"$nulls":4},198.100442308,"?"]
[7,"CCOC(=O)C1(CCN(C)CC1)c2ccccc2","50-13-5","CCOC(=O)C1(c2ccccc2)CCN(C)CC1","CCOC(=O)C1(CCN(CC1)C)c2ccccc2",{"$nulls":4},247.157228912,"?"]
[8,"ClCCN(CCCl)[P]1(=O)NCCCO1","50-18-0","O=P1(N(CCCl)CCCl)NCCCO1","O=P1(OCCCN1)N(CCCl)CCCl",{"$nulls":4},260.0248197100001,"?"]
[9,"CCC(O)(COC(N)=O)c1ccccc1","50-19-1","CCC(O)(COC(N)=O)c1ccccc1","CCC(O)(COC(N)=O)c1ccccc1",{"$nulls":4},209.10519334,"?"]
[10,"CC(O)C(O)=O","50-21-5","CC(O)C(=O)O","CC(O)C(=O)O",{"$nulls":4},90.031694052,"?"]
[11,"C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2C(=O)CO","50-22-6","CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C)C(C(=O)CO)CC4",{"$nulls":4},346.2144094400008,"?"]
[12,"C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)CO)[C]4(C)C[CH](O)[CH]23","50-23-7","CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C",{"$nulls":4},362.2093240600008,"?"]
[13,"C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CC[C]2(O)C(=O)CO","50-24-8","CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(C=C1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C",{"$nulls":4},360.1936739960007,"?"]
[14,"C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[CH]2O","50-28-2","CC12CCC3c4ccc(O)cc4CCC3C1CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O",{"$nulls":4},272.17763000800045,"?"]
[15,"Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl","50-29-3","Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl",{"$nulls":4},351.91468868800024,"?"]
[16,"OC(=O)c1c(Cl)cccc1Cl","50-30-6","O=C(O)c1c(Cl)cccc1Cl","O=C(O)c1c(cccc1Cl)Cl",{"$nulls":4},189.958834728,"?"]
[17,"OC(=O)c1c(Cl)ccc(Cl)c1Cl","50-31-7","O=C(O)c1c(Cl)ccc(Cl)c1Cl","O=C(O)c1c(c(ccc1Cl)Cl)Cl",{"$nulls":4},223.919862376,"?"]
[18,"c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45","50-32-8","c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34","c1cc2c(cc1)c3ccc4cccc5ccc(c2)c3c54",{"$nulls":4},252.093900384,"?"]
[19,"CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3","50-33-9","CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O",{"$nulls":4},308.15247788000056,"?"]
[20,"O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1","50-35-1","O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1","O=C1NC(C(CC1)N2C(c3c(C2=O)cccc3)=O)=O",{"$nulls":4},258.06405680000006,"?"]
[21,"COC(=O)[CH]1[CH](CC2CCC1N2C)OC(=O)c3ccccc3","50-36-2","COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C","COC(=O)C1C2CCC(CC1OC(=O)c3ccccc3)N2C",{"$nulls":4},303.14705815200057,"?"]
[22,"O.Sc1ncnc2nc[nH]c12","50-44-2","Sc1ncnc2nc[nH]c12","Sc1c2c(ncn1)nc[nH]2","O",{"$nulls":3},170.026231812,"?"]
[23,"CNCCCN1c2ccccc2CCc3ccccc13","50-47-5","CNCCCN1c2ccccc2CCc2ccccc21","CNCCCN1c2c(CCc3c1cccc3)cccc2",{"$nulls":4},266.17829870400027,"?"]
[24,null,"50-48-6",{"$nulls":7},""]
[25,"CN(C)CCCN1c2ccccc2CCc3ccccc13","50-49-7","CN(C)CCCN1c2ccccc2CCc2ccccc21","CN(C)CCCN1c2c(CCc3c1cccc3)cccc2",{"$nulls":4},280.19394876800067,"?"]
[26,"CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13","50-53-3","CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21","CN(C)CCCN1c2c(Sc3c1cccc3)ccc(Cl)c2",{"$nulls":4},318.09574728800055,"?"]
[27,"CO[CH]1[CH](C[CH]2CN3CCc4c([nH]c5cc(OC)ccc45)[CH]3C[CH]2[CH]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6","50-55-5","COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC","COC(=O)C1C(C(CC2C1CC3N(CCc4c3[nH]c5c4ccc(c5)OC)C2)OC(=O)c6cc(c(c(c6)OC)OC)OC)OC",{"$nulls":4},608.273380860001,"?"]
[28,"Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O","50-65-7","O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O",{"$nulls":4},325.9861120960002,"?"]
[29,"NCCc1c[nH]c2ccc(O)cc12","50-67-9","NCCc1c[nH]c2ccc(O)cc12","NCCc1c2c([nH]c1)ccc(O)c2",{"$nulls":4},176.094963004,"?"]
[30,"OC[CH](O)[CH](O)[CH](O)[CH](O)CO","50-70-4","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",{"$nulls":4},182.079038168,"?"]
[31,"CC(=O)Oc1ccccc1C(O)=O","50-78-2","CC(=O)Oc1ccccc1C(=O)O","CC(=O)Oc1c(cccc1)C(=O)O",{"$nulls":4},180.042258736,"?"]
[32,"OC(=O)c1cc(Cl)ccc1Cl","50-79-3","O=C(O)c1cc(Cl)ccc1Cl","O=C(O)c1c(ccc(c1)Cl)Cl",{"$nulls":4},189.958834728,"?"]
[33,"OCC(O)C1OC(=C(O)C1=O)O","50-81-7","O=C1C(O)=C(O)OC1C(O)CO","O=C1C(OC(=C1O)O)C(O)CO",{"$nulls":4},176.032087976,"?"]
[34,"OC(=O)c1cc(Cl)c(Cl)cc1Cl","50-82-8","O=C(O)c1cc(Cl)c(Cl)cc1Cl","O=C(O)c1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},223.919862376,"?"]
[35,"OC(=O)c1ccc(Cl)cc1Cl","50-84-0","O=C(O)c1ccc(Cl)cc1Cl","O=C(O)c1c(cc(cc1)Cl)Cl",{"$nulls":4},189.958834728,"?"]
[36,"Cc1ccc(C(O)=O)c(O)c1","50-85-1","Cc1ccc(C(=O)O)c(O)c1","Cc1cc(c(cc1)C(=O)O)O",{"$nulls":4},152.047344116,"?"]
[37,"OC[CH](O)[CH](O)[CH](O)[CH](O)C=O","50-99-7","O=CC(O)C(O)C(O)C(O)CO","O=CC(O)C(O)C(O)C(O)CO",{"$nulls":4},180.063388104,"?"]
[38,"[O-]CCCCCc1ccc2OCOc2c1","51-03-6","[O-]CCCCCc1ccc2c(c1)OCO2","OCCCCCc1cc2c(cc1)OCO2",{"$nulls":4},207.10211934,"Structure has been neutralized"]
[39,"[nH]1cnc2ccccc12","51-17-2","c1ccc2[nH]cnc2c1","c1cc2c(cc1)[nH]cn2",{"$nulls":4},118.053098192,"?"]
[40,"BrC1=CNC(=O)NC1=O","51-20-7","O=c1[nH]cc(Br)c(=O)[nH]1","O=c1[nH]c(c(c[nH]1)Br)=O",{"$nulls":4},189.937789436,"?"]
[41,"FC1=CNC(=O)NC1=O","51-21-8","O=c1[nH]cc(F)c(=O)[nH]1","O=c1[nH]c(c(c[nH]1)F)=O",{"$nulls":4},130.017855556,"?"]
[42,"Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O","51-28-5","O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},184.012021228,"?"]
[43,"CN1[CH]2CC(C[CH]1[CH]3O[CH]23)OC(=O)[CH](CO)c4ccccc4","51-34-3","CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12","CN1C2CC(CC1C3C2O3)OC(=O)C(CO)c4ccccc4",{"$nulls":4},303.14705815200057,"?"]
[44,"O[CH]1CN[CH](C1)C(O)=O","51-35-4","O=C(O)C1CC(O)CN1","O=C(O)C1NCC(C1)O",{"$nulls":4},131.058243148,"?"]
[45,"OC(=O)c1cc(Cl)cc(Cl)c1","51-36-5","O=C(O)c1cc(Cl)cc(Cl)c1","O=C(O)c1cc(cc(c1)Cl)Cl",{"$nulls":4},189.958834728,"?"]
[46,"CNCC(O)c1ccc(O)c(O)c1.OC(C(O)C(O)=O)C(O)=O","51-42-3","CNCC(O)c1ccc(O)c(O)c1","CNCC(O)c1cc(c(cc1)O)O","OC(C(O)C(O)=O)C(O)=O",{"$nulls":3},333.105981188,"?"]
[47,"CNC[CH](O)c1ccc(O)c(O)c1","51-43-4","CNCC(O)c1ccc(O)c(O)c1","CNCC(O)c1cc(c(cc1)O)O",{"$nulls":4},183.089543276,"?"]
[48,"OC(=O)c1ccc(Cl)c(Cl)c1","51-44-5","O=C(O)c1ccc(Cl)c(Cl)c1","O=C(O)c1cc(c(cc1)Cl)Cl",{"$nulls":4},189.958834728,"?"]
[49,"CCCN1C(=O)C=CNC1=S","51-52-5","CCCn1c(=O)cc[nH]c1=S","CCCn1c([nH]ccc1=O)=S",{"$nulls":4},170.05138394,"?"]
[50,"CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3","51-55-8","CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3",{"$nulls":4},289.16779359600065,"?"]
[51,"COc1ccc(NC(C)=O)cc1","51-66-1","COc1ccc(NC(C)=O)cc1","COc1ccc(cc1)NC(C)=O",{"$nulls":4},165.078978592,"?"]
[52,"NCCc1ccc(O)cc1","51-67-2","NCCc1ccc(O)cc1","NCCc1ccc(cc1)O",{"$nulls":4},137.084063972,"?"]
[53,"CN(CCCl)CCCl","51-75-2","CN(CCCl)CCCl","CN(CCCl)CCCl",{"$nulls":4},155.026854712,"?"]
[54,"CCOC(N)=O.CCOC(N)=O","51-79-6","CCOC(N)=O","CCOC(N)=O","CCOC(N)=O",{"$nulls":3},178.095356928,"?"]
[55,"CC(=O)O[C]1(CC[CH]2[CH]3CCC4=CC(=O)CC[CH]4[CH]3CC[C]12C)C#C","51-98-9","C#CC1(OC(C)=O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)OC(C)=O",{"$nulls":4},340.20384475600076,"?"]
[56,"CC(=O)S[CH]1CC2=CC(=O)CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[C]45CCC(=O)O5)[CH]13","52-01-7","CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12","CC(=O)SC1C2C(C3(C(C1)=CC(=O)CC3)C)CCC4(C5(CCC42)OC(CC5)=O)C",{"$nulls":4},416.2021305040008,"?"]
[57,"CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[CH]3[CH](O)C[C]12C","52-21-1","CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O",{"$nulls":4},402.20423868000086,"?"]
[58,"S=[P](N1CC1)(N2CC2)N3CC3","52-24-4","S=P(N1CC1)(N1CC1)N1CC1","S=P(N1CC1)(N2CC2)N3CC3",{"$nulls":4},189.04895501399997,"?"]
[59,"CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2","52-31-3","CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCC2",{"$nulls":4},236.116092372,"?"]
[60,"C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[CH](C(=O)CO)[C]4(C[CH](O)[CH]23)C=O","52-39-1","CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C=O)C(C(=O)CO)CC4",{"$nulls":4},360.1936739960007,"?"]
[61,"C=CCC1(CC=C)C(=O)NC(=O)NC1=O","52-43-7","C=CCC1(CC=C)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CC=C",{"$nulls":4},208.084792244,"?"]
[62,"OCC(Br)(CO)[N+]([O-])=O","52-51-7","O=[N+]([O-])C(Br)(CO)CO","O=[N+]([O-])C(Br)(CO)CO",{"$nulls":4},198.948019772,"?"]
[63,"NC1(CCCC1)C(O)=O","52-52-8","NC1(C(=O)O)CCCC1","NC1(CCCC1)C(=O)O",{"$nulls":4},129.078978592,"?"]
[64,null,"52-67-5",{"$nulls":7},""]
[65,"CO[P](=O)(OC)C(O)C(Cl)(Cl)Cl","52-68-6","COP(=O)(OC)C(O)C(Cl)(Cl)Cl","COP(=O)(OC)C(O)C(Cl)(Cl)Cl",{"$nulls":4},255.92257840599999,"?"]
[66,"OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3","52-86-8","O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Cl)c3ccc(cc3)F",{"$nulls":4},375.1401348760007,"?"]
[67,"N[CH](CS)C(O)=O","52-90-4","NC(CS)C(=O)O","NC(CS)C(=O)O",{"$nulls":4},121.019749464,"?"]
[68,"C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)CO)[C]4(C)CC(=O)[CH]23","53-06-5","CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)=O)(C(CC4)(O)C(=O)CO)C",{"$nulls":4},360.19367399600077,"?"]
[69,"C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CCC2=O","53-16-7","CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2=O",{"$nulls":4},270.1619799440004,"?"]
[70,"ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl","53-19-0","Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)Cl",{"$nulls":4},317.95366104000027,"?"]
[71,"C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O","53-41-8","CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O",{"$nulls":4},290.22458020000084,"?"]
[72,"C[C]12CC[CH]3[CH](CC=C4C[CH](O)CC[C]34C)[CH]1CCC2=O","53-43-0","CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(=CC3)CC(O)CC4)C)CCC2=O",{"$nulls":4},288.2089301360008,"?"]
[73,"c1ccc2c(c1)ccc3cc4c(ccc5ccccc45)cc23","53-70-3","c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12","c1cc2c(cc1)c3c(cc2)cc4c5c(ccc4c3)cccc5",{"$nulls":4},278.1095504480004,"?"]
[74,"COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3","53-86-1","COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)c3ccc(cc3)Cl",{"$nulls":4},357.0767856720004,"?"]
[75,"CN1CCCC1c2cccnc2","54-11-5","CN1CCCC1c1cccnc1","CN1C(CCC1)c2cnccc2",{"$nulls":4},162.115698448,"?"]
[76,"[Na+].Oc1ccccc1C([O-])=O","54-21-7","O=C([O-])c1ccccc1O","O=C(O)c1c(cccc1)O","[Na+]",{"$nulls":3},160.0136383,"Structure has been neutralized"]
[77,"N[S](=O)(=O)c1cc(C(O)=O)c(NCc2occc2)cc1Cl","54-31-9","NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl","NS(=O)(=O)c1c(cc(c(c1)C(=O)O)NCc2occc2)Cl",{"$nulls":4},330.0077201320003,"?"]
[78,"OC[CH]1O[CH](C[CH]1O)N2C=C(I)C(=O)NC2=O","54-42-2","O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1I","O=c1c(cn(c([nH]1)=O)C2OC(C(C2)O)CO)I",{"$nulls":4},353.9712694520003,"?"]
[79,"NNC(=O)c1ccncc1","54-85-3","NNC(=O)c1ccncc1","NNC(=O)c1ccncc1",{"$nulls":4},137.058911844,"?"]
[80,"CCN(CC)N=O","55-18-5","CCN(CC)N=O","CCN(CC)N=O",{"$nulls":4},102.07931294,"?"]
[81,"NC(=O)c1ccccc1","55-21-0","NC(=O)c1ccccc1","NC(=O)c1ccccc1",{"$nulls":4},121.052763844,"?"]
[82,"OC(=O)c1ccncc1","55-22-1",null,null,"OC(=O)c1ccncc1",{"$nulls":3},754.6805688960003,"?"]
[83,"CO[P](=S)(OC)Oc1ccc(SC)c(C)c1","55-38-9","COP(=S)(OC)Oc1ccc(SC)c(C)c1","COP(=S)(OC)Oc1cc(c(cc1)SC)C",{"$nulls":4},278.0200229700004,"?"]
[84,"NC(Nc1ccc(Cl)cc1)=NC(N)=NCCCCCCN=C(N)N=C(N)Nc2ccc(Cl)cc2","55-56-1","NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1)N=C(N)Nc1ccc(Cl)cc1","NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(cc1)Cl)N=C(N)Nc2ccc(cc2)Cl",{"$nulls":4},504.203196320001,"?"]
[85,"OCC(O)CO.O[N+]([O-])=O.O[N+]([O-])=O.O[N+]([O-])=O","55-63-0","OCC(O)CO","OCC(O)CO","O[N+]([O-])=O","O[N+]([O-])=O","O[N+]([O-])=O",null,281.034272792,"?"]
[86,"CN(C)c1ccc(cc1)N=Nc2cccc(C)c2","55-80-1","Cc1cccc(N=Nc2ccc(N(C)C)cc2)c1","Cc1cc(ccc1)N=Nc2ccc(cc2)N(C)C",{"$nulls":4},239.14224754399999,"?"]
[87,"CC(C)O[P](F)(=O)OC(C)C","55-91-4","CC(C)OP(=O)(F)OC(C)C","CC(C)OP(=O)(F)OC(C)C",{"$nulls":4},184.066459158,"?"]
[88,"CC1=CC(=O)NC(=S)N1","56-04-2","Cc1cc(=O)[nH]c(=S)[nH]1","Cc1[nH]c([nH]c(c1)=O)=S",{"$nulls":4},142.020083812,"?"]
[89,"NCCCC(O)=O","56-12-2","NCCCC(=O)O","NCCCC(=O)O",{"$nulls":4},103.063328528,"?"]
[90,"ClC(Cl)(Cl)Cl","56-23-5","ClC(Cl)(Cl)Cl","ClC(Cl)(Cl)Cl",{"$nulls":4},151.87541072,"?"]
[91,"C[C]12[CH]3CC[CH](O3)[C]1(C)C(=O)OC2=O","56-25-7","CC12C(=O)OC(=O)C1(C)C1CCC2O1","CC12C(C(OC1=O)=O)(C)C3OC2CC3",{"$nulls":4},196.073558864,"?"]
[92,null,"56-29-1",{"$nulls":7},""]
[93,"CCCC[Sn+](CCCC)CCCC.CC([O-])=O","56-36-0","CCCC[Sn+](CCCC)CCCC","CCCC[Sn+](CCCC)CCCC","CC([O-])=O",{"$nulls":3},350.1267749000008,"Errors in neutralization"]
[94,"CCO[P](=S)(OCC)Oc1ccc(cc1)[N+]([O-])=O","56-38-2","CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1","CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},291.03303017800033,"?"]
[95,"NCC(O)=O","56-40-6","NCC(=O)O","NCC(=O)O",{"$nulls":4},75.0320284,"?"]
[96,"C[CH](N)C(O)=O","56-41-7","CC(N)C(=O)O","CC(N)C(=O)O",{"$nulls":4},89.047678464,"?"]
[97,"N[CH](CO)C(O)=O","56-45-1","NC(CO)C(=O)O","NC(CO)C(=O)O",{"$nulls":4},105.042593084,"?"]
[98,"CC(=O)OCC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C","56-47-3","CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CC(=O)OCC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",{"$nulls":4},372.2300595040009,"?"]
[99,"Cc1ccc2cc3c(ccc4ccccc34)c5CCc1c25","56-49-5","Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3","Cc1c2c3c(cc1)cc4c5c(ccc4c3CC2)cccc5",{"$nulls":4},268.12520051200033,"?"]
[100,"CCC(c1ccc(O)cc1)=C(CC)c2ccc(O)cc2","56-53-1","CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1","CCC(=C(CC)c1ccc(cc1)O)c2ccc(cc2)O",{"$nulls":4},268.14632988000034,"?"]
[101,"COc1ccc2nccc([CH](O)[CH]3C[CH]4CCN3C[CH]4C=C)c2c1","56-54-2","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",{"$nulls":4},324.1837780080007,"?"]
[102,"c1ccc2cc3c(ccc4ccccc34)cc2c1","56-55-3","c1ccc2cc3c(ccc4ccccc43)cc2c1","c1cc2c(cc1)cc3c4c(ccc3c2)cccc4",{"$nulls":4},228.093900384,"?"]
[103,"Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O","56-65-5","Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O",{"$nulls":4},506.99574546200023,"?"]
[104,"N[CH](Cc1c[nH]c2ccc(O)cc12)C(O)=O","56-69-9","NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O","NC(Cc1c2c([nH]c1)ccc(O)c2)C(=O)O",{"$nulls":4},220.084792244,"?"]
[105,"CCO[P](=S)(OCC)Oc1ccc2C(=C(Cl)C(=O)Oc2c1)C","56-72-4","CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1","CCOP(=S)(OCC)Oc1cc2c(cc1)c(C)c(Cl)c(=O)o2",{"$nulls":4},362.01445892200036,"?"]
[106,"OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+]([O-])=O","56-75-7","O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl","O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)Cl",{"$nulls":4},322.0123268440003,"?"]
[107,"OCC(O)CO","56-81-5","OCC(O)CO","OCC(O)CO",{"$nulls":4},92.047344116,"?"]
[108,null,"56-82-6",{"$nulls":7},""]
[109,"N[CH](CC(O)=O)C(O)=O","56-84-8","NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O",{"$nulls":4},133.037507704,"?"]
[110,"N[CH](CCC(N)=O)C(O)=O","56-85-9","NC(=O)CCC(N)C(=O)O","NC(=O)CCC(N)C(=O)O",{"$nulls":4},146.06914218,"?"]
[111,"N[CH](CCC(O)=O)C(O)=O","56-86-0","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",{"$nulls":4},147.053157768,"?"]
[112,"NCCCC[CH](N)C(O)=O","56-87-1","NCCCCC(N)C(=O)O","NCCCCC(N)C(=O)O",{"$nulls":4},146.105527688,"?"]
[113,"N[CH](CSSC[CH](N)C(O)=O)C(O)=O","56-89-3","NC(CSSCC(N)C(=O)O)C(=O)O","NC(CSSCC(N)C(=O)O)C(=O)O",{"$nulls":4},240.023848864,"?"]
[114,"CN(CC(O)=O)C(N)=N","57-00-1","CN(CC(=O)O)C(=N)N","CN(CC(=O)O)C(=N)N",{"$nulls":4},131.069476528,"?"]
[115,"OC[CH](O)CO[P](O)(O)=O","57-03-4","O=P(O)(O)OCC(O)CO","O=P(O)(O)OCC(O)CO",{"$nulls":4},172.013674638,"?"]
[116,"C=CCN=C=S","57-06-7","C=CCN=C=S","C=CCN=C=S",{"$nulls":4},99.01427016,"?"]
[117,"CCCCCCCCCCCCCCCC(O)=O","57-10-3","CCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCC(=O)O",{"$nulls":4},256.240230264,"?"]
[118,"CCCCCCCCCCCCCCCCCC(O)=O","57-11-4","CCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCC(=O)O",{"$nulls":4},284.2715303920008,"?"]
[119,"NC(N)=O","57-13-6","NC(N)=O","NC(N)=O",{"$nulls":4},60.032362748,"?"]
[120,"CN(C)N","57-14-7","CN(C)N","CN(C)N",{"$nulls":4},60.06874825599999,"?"]
[121,null,"57-15-8",{"$nulls":7},""]
[122,"O=C1CC2OCC=C3CN4CCC56C4CC3C2C5N1c7ccccc67","57-24-9","O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46","O=C1N2c3c(C45CCN6CC7=CCOC(C1)C(C42)C7CC65)cccc3",{"$nulls":4},334.1681279440006,"?"]
[123,"CN1CC[C]23[CH]4Oc5c(O)ccc(C[CH]1[CH]2C=C[CH]4O)c35","57-27-2","CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3",{"$nulls":4},285.13649346800054,"?"]
[124,"O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3","57-41-0","O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1","O=C1NC(C(N1)=O)(c2ccccc2)c3ccccc3",{"$nulls":4},252.089877624,"?"]
[125,"[H+].[Cl-].CCOC(=O)C1(CCN(C)CC1)c2ccccc2","57-42-1","CCOC(=O)C1(c2ccccc2)CCN(C)CC1","CCOC(=O)C1(CCN(CC1)C)c2ccccc2","[Cl-]","[H+]",null,null,283.133906624,"?"]
[126,"CCC1(CCC(C)C)C(=O)NC(=O)NC1=O","57-43-2","CCC1(CCC(C)C)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)CCC(C)C",{"$nulls":4},226.131742436,"?"]
[127,"CCC1(CC)C(=O)NC(=O)NC1=O","57-44-3","CCC1(CC)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)CC",{"$nulls":4},184.084792244,"?"]
[128,"OC[CH](O)[CH](O)[CH](O)C(=O)CO","57-48-7","O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO",{"$nulls":4},180.063388104,"?"]
[129,"OC[CH]1O[CH](O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O","57-50-1","OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O",{"$nulls":4},342.11621152400056,"?"]
[130,"CCCC(C)(COC(N)=O)COC(N)=O","57-53-4","CCCC(C)(COC(N)=O)COC(N)=O","CCCC(C)(COC(N)=O)COC(N)=O",{"$nulls":4},218.126657056,"?"]
[131,"CC(O)CO","57-55-6","CC(O)CO","CC(O)CO",{"$nulls":4},76.052429496,"?"]
[132,"O=C1CCO1","57-57-8","O=C1CCO1","O=C1OCC1",{"$nulls":4},72.021129368,"?"]
[133,"[Cl-].CN(C)[CH]1[CH]2C[CH]3C(=C(O)c4c(O)ccc(Cl)c4[C]3(C)O)C(=O)[C]2(O)C(=O)C(=C(N)O)C1=O.[H+]","57-62-5","CN(C)C1C(=O)C(=C(N)O)C(=O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4Cl)(C)O)C2","[Cl-]","[H+]",null,null,514.0909710880005,"?"]
[134,"C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[C]2(O)C#C","57-63-6","C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C","C#CC1(C2(C(CC1)C3C(c4c(CC3)cc(O)cc4)CC2)C)O",{"$nulls":4},296.1776300080007,"?"]
[135,null,"57-67-0",{"$nulls":7},""]
[136,"Cc1cc(C)nc(N[S](=O)(=O)c2ccc(N)cc2)n1","57-68-1","Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(nc(c1)C)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},278.0837466880004,"?"]
[137,"ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl","57-74-9","ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl",{"$nulls":4},405.79777163200015,"?"]
[138,"CC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C","57-83-0","CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",{"$nulls":4},314.22458020000084,"?"]
[139,"CCC(=O)O[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C","57-85-2","CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CCC(=O)OC1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",{"$nulls":4},344.2351448840009,"?"]
[140,"CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C","57-88-5","CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C","CC(C)CCCC(C)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C",{"$nulls":4},386.3548660920013,"?"]
[141,null,"57-91-0",{"$nulls":7},""]
[142,null,"57-97-6",{"$nulls":7},""]
[143,"CN1CCc2cccc3c2[CH]1Cc4ccc(O)c(O)c34","58-00-4","CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3","CN1C2c3c(CC1)cccc3-c4c(C2)ccc(O)c4O",{"$nulls":4},267.12592878400034,"?"]
[144,"Cn1cnc2N(C)C(=O)N(C)C(=O)c12","58-08-2","Cn1c(=O)c2c(ncn2C)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)C)C)=O",{"$nulls":4},194.08037556,"?"]
[145,"CN(C)C1=C(C)N(C)N(c2ccccc2)C1=O","58-15-1","Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1N(C)C)=O)-c2ccccc2)C",{"$nulls":4},231.137162164,"?"]
[146,null,"58-18-4",{"$nulls":7},""]
[147,"C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2O","58-22-0","CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(O)CC4",{"$nulls":4},288.2089301360008,"?"]
[148,"[H+].[Cl-].CN=C1CN(O)C(=C2C=C(Cl)C=CC2=N1)c3ccccc3","58-25-3","CN=C1CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1","CN=C1N=c2c(=C(N(C1)O)c3ccccc3)cc(Cl)cc2","[Cl-]","[H+]",null,null,335.05921746000035,"?"]
[149,"CC1=CC(=O)c2ccccc2C1=O","58-27-5","CC1=CC(=O)c2ccccc2C1=O","CC=1C(c2c(C(C1)=O)cccc2)=O",{"$nulls":4},172.052429496,"?"]
[150,null,"58-38-8",{"$nulls":7},""]
[151,"OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1","58-39-9","OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",{"$nulls":4},403.1485111320007,"?"]
[152,"CN(C)CCCN1c2ccccc2Sc3ccccc13","58-40-2","CN(C)CCCN1c2ccccc2Sc2ccccc21","CN(C)CCCN1c2c(Sc3c1cccc3)cccc2",{"$nulls":4},284.1347196400005,"?"]
[153,"CN1C(=O)N(C)c2nc[nH]c2C1=O","58-55-9","Cn1c(=O)c2[nH]cnc2n(C)c1=O","Cn1c(n(c2c(c1=O)[nH]cn2)C)=O",{"$nulls":4},180.064725496,"?"]
[154,"[H+].[Cl-].Cc1ncc(CO)c(CO)c1O","58-56-0","Cc1ncc(CO)c(CO)c1O","Cc1c(c(c(cn1)CO)CO)O","[Cl-]","[H+]",null,null,205.050570924,"?"]
[155,"OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(O)ncnc23","58-63-9","OCC1OC(n2cnc3c(O)ncnc32)C(O)C1O","OCC1C(C(C(O1)n2c3c(nc2)c(O)ncn3)O)O",{"$nulls":4},268.0807694840003,"?"]
[156,"CN(C)CCOC(c1ccccc1)c2ccccc2","58-73-1","CN(C)CCOC(c1ccccc1)c1ccccc1","CN(C)CCOC(c1ccccc1)c2ccccc2",{"$nulls":4},255.162314292,"?"]
[157,"COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC","58-74-2","COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC","COc1c(cc(cc1)Cc2c3c(ccn2)cc(OC)c(OC)c3)OC",{"$nulls":4},339.14705815200057,"?"]
[158,"OC[CH](O)[CH](O)[CH](O)C=O","58-86-6","O=CC(O)C(O)C(O)CO","O=CC(O)C(O)C(O)CO",{"$nulls":4},150.05282342,"?"]
[159,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","58-89-9","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},287.86006627200015,"?"]
[160,"Oc1c(Cl)cc(Cl)c(Cl)c1Cl","58-90-2","Oc1c(Cl)cc(Cl)c(Cl)c1Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cl",{"$nulls":4},229.885975404,"?"]
[161,"N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1Cl","58-93-5","NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)Cl",{"$nulls":4},296.96447541600025,"?"]
[162,"N[S](=O)(=O)c1cc2c(NC=N[S]2(=O)=O)cc1Cl","58-94-6","NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)Cl",{"$nulls":4},294.9488253520002,"?"]
[163,"OC[CH](O)[CH](O)[CH](O)[CH](O)C=O","59-23-4","O=CC(O)C(O)C(O)C(O)CO","O=CC(O)C(O)C(O)C(O)CO",{"$nulls":4},180.063388104,"?"]
[164,"CCN(CC)C(=O)c1cccnc1","59-26-7","CCN(CC)C(=O)c1cccnc1","CCN(CC)C(=O)c1cnccc1",{"$nulls":4},178.110613068,"?"]
[165,"O=C1Nc2ccccc2C=C1","59-31-4","O=c1ccc2ccccc2[nH]1","O=c1[nH]c2c(cc1)cccc2",{"$nulls":4},145.052763844,"?"]
[166,"Nc1ccc(cc1)[S](=O)(=O)Nc2cnc3ccccc3n2","59-40-5","Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nc3c(nc2)cccc3",{"$nulls":4},300.06809662400036,"?"]
[167,"[Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1","59-43-8","Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1","Cc1nc(c(cn1)C[n+]2c(c(sc2)CCO)C)N","[Cl-]",{"$nulls":3},300.08115984400024,"?"]
[168,"CCN(CC)CCOC(=O)c1ccc(N)cc1","59-46-1","CCN(CC)CCOC(=O)c1ccc(N)cc1","CCN(CC)CCOC(=O)c1ccc(cc1)N",{"$nulls":4},236.15247788,"?"]
[169,null,"59-47-2",{"$nulls":7},""]
[170,"Cc1cc(O)ccc1Cl","59-50-7","Cc1cc(O)ccc1Cl","Cc1c(ccc(c1)O)Cl",{"$nulls":4},142.018542524,"?"]
[171,"CSCCC(N)C(O)=O","59-51-8","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O",{"$nulls":4},149.051049592,"?"]
[172,"OCC(S)CS","59-52-9","OCC(S)CS","OCC(S)CS",{"$nulls":4},124.001656876,"?"]
[173,null,"59-56-3",{"$nulls":7},""]
[174,"CC(=O)Nc1sc(nn1)[S](N)(=O)=O","59-66-5","CC(=O)Nc1nnc(S(N)(=O)=O)s1","CC(=O)Nc1sc(nn1)S(N)(=O)=O",{"$nulls":4},221.988132052,"?"]
[175,"OC(=O)c1cccnc1","59-67-6",null,null,"OC(=O)c1cccnc1",{"$nulls":3},580.8169353080002,"?"]
[176,"O=NN1CCOCC1","59-89-2","O=NN1CCOCC1","O=NN1CCOCC1",{"$nulls":4},116.058577496,"?"]
[177,"N[CH](Cc1ccc(O)c(O)c1)C(O)=O","59-92-7","NC(Cc1ccc(O)c(O)c1)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O",{"$nulls":4},197.068807832,"?"]
[178,"CC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O.NCCN","60-00-4","NCCN","NCCN","CC(O)=O","CC(O)=O","CC(O)=O","CC(O)=O",300.153265728,"?"]
[179,"CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC","60-01-5","CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC","CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC",{"$nulls":4},302.17293855200074,"?"]
[180,"Nc1ccc(cc1)N=Nc2ccccc2","60-09-3","Nc1ccc(N=Nc2ccccc2)cc1","Nc1ccc(cc1)N=Nc2ccccc2",{"$nulls":4},197.095297352,"?"]
[181,"CN(C)c1ccc(cc1)N=Nc2ccccc2","60-11-7","CN(C)c1ccc(N=Nc2ccccc2)cc1","CN(C)c1ccc(cc1)N=Nc2ccccc2",{"$nulls":4},225.12659748,"?"]
[182,"OCCc1ccccc1","60-12-8","OCCc1ccccc1","OCCc1ccccc1",{"$nulls":4},122.07316494,"?"]
[183,"N[CH](Cc1ccc(O)cc1)C(O)=O","60-18-4","NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",{"$nulls":4},181.073893212,"?"]
[184,"OCCS","60-24-2","OCCS","OCCS",{"$nulls":4},78.013935812,"?"]
[185,"CN1CC(=O)N=C1N","60-27-5","CN1CC(=O)N=C1N","CN1C(=NC(C1)=O)N",{"$nulls":4},113.058911844,"?"]
[186,"CCOCC","60-29-7","CCOCC","CCOCC",{"$nulls":4},74.07316494,"?"]
[187,"NCCCCCC(O)=O","60-32-2","NCCCCCC(=O)O","NCCCCCC(=O)O",{"$nulls":4},131.094628656,"?"]
[188,"CNN","60-34-4","CNN","CNN",{"$nulls":4},46.05309819199999,"?"]
[189,"CC(N)=O","60-35-5","CC(N)=O","CC(N)=O",{"$nulls":4},59.03711378,"?"]
[190,"CNC(=O)CS[P](=S)(OC)OC","60-51-5","CNC(=O)CSP(=S)(OC)OC","CNC(=O)CSP(=S)(OC)OC",{"$nulls":4},228.99962187399998,"?"]
[191,"CN(C)[CH]1[CH]2C[CH]3C(=C(O)c4c(O)cccc4[C]3(C)O)C(=O)[C]2(O)C(=O)C(=C(N)O)C1=O","60-54-8","CN(C)C1C(=O)C(=C(N)O)C(=O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3CC12","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4)(C)O)C2",{"$nulls":4},444.1532657280006,"?"]
[192,"ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl","60-57-1","ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl",{"$nulls":4},377.87063095600024,"?"]
[193,"CN1N(C(=O)C=C1C)c2ccccc2","60-80-0","Cc1cc(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1)=O)-c2ccccc2)C",{"$nulls":4},188.094963004,"?"]
[194,"Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1","60-82-2","O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O","O=C(CCc1ccc(cc1)O)c2c(cc(cc2O)O)O",{"$nulls":4},274.08412354800043,"?"]
[195,"CC(CN1c2ccccc2Sc3ccccc13)N(C)C","60-87-7","CC(CN1c2ccccc2Sc2ccccc21)N(C)C","CC(CN1c2c(Sc3c1cccc3)cccc2)N(C)C",{"$nulls":4},284.1347196400005,"?"]
[196,"CN1CCCC(C1)CN2c3ccccc3Sc4ccccc24","60-89-9","CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1","CN1CC(CCC1)CN2c3c(Sc4c2cccc4)cccc3",{"$nulls":4},310.1503697040006,"?"]
[197,"COc1ccc2Sc3ccccc3N(C[CH](C)CN(C)C)c2c1","60-99-1","COc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2","COc1cc2c(cc1)Sc3c(N2CC(C)CN(C)C)cccc3",{"$nulls":4},328.16093438800067,"?"]
[198,"Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O","61-19-8","Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O",{"$nulls":4},347.0630844180003,"?"]
[199,"[O-][N+](=O)c1sc(nc1)N2CCNC2=O","61-57-4","O=C1NCCN1c1ncc([N+](=O)[O-])s1","O=C1N(CCN1)c2sc(cn2)[N+](=O)[O-]",{"$nulls":4},214.016061052,"?"]
[200,"Cc1cccc(Nc2ccccc2C(O)=O)c1C","61-68-7","Cc1cccc(Nc2ccccc2C(=O)O)c1C","Cc1c(c(ccc1)Nc2c(cccc2)C(=O)O)C",{"$nulls":4},241.11027872,"?"]
[201,"[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C","61-73-4","CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1","CN(C)c1cc2c(cc1)nc3c(cc(cc3)N(C)C)[s+]2","[Cl-]",{"$nulls":3},319.0909962560005,"?"]
[202,"Nc1[nH]ncn1","61-82-5","Nc1ncn[nH]1","Nc1[nH]ncn1",{"$nulls":4},84.04359612799999,"?"]
[203,"CC(C)C[CH](N)C(O)=O","61-90-5","CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[204,"OC(=O)c1ccc(cc1)[N+]([O-])=O","62-23-7","O=C(O)c1ccc([N+](=O)[O-])cc1","O=C(O)c1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},167.02185764,"?"]
[205,"[Cl-].COC(C[Hg+])CNC(N)=O","62-37-3","COC(C[Hg+])CNC(N)=O","COC(C[Hg+])CNC(N)=O","[Cl-]",{"$nulls":3},368.02154827200036,"Errors in neutralization"]
[206,"CC(=O)O[Hg]c1ccccc1","62-38-4","CC(=O)O[Hg]c1ccccc1","CC(=O)O[Hg]c1ccccc1",{"$nulls":4},338.0230724960002,"?"]
[207,null,"62-44-2",{"$nulls":7},""]
[208,"Nc1ccccc1","62-53-3","Nc1ccccc1","Nc1ccccc1",{"$nulls":4},93.057849224,"?"]
[209,"CC(N)=S","62-55-5","CC(N)=S","CC(N)=S",{"$nulls":4},75.01427016,"?"]
[210,"NC(N)=S","62-56-6","NC(N)=S","NC(N)=S",{"$nulls":4},76.009519128,"?"]
[211,"CC(C)(N)C(O)=O","62-57-7","CC(C)(N)C(=O)O","CC(C)(N)C(=O)O",{"$nulls":4},103.063328528,"?"]
[212,"CC=C(C)C(=O)O[CH]1CC[C]2(C)[CH]3CC[CH]4[C]5(O)C[CH](O)[C]6(O)[CH](CN7C[CH](C)CC[CH]7[C]6(C)O)[C]5(O)C[C]24O[C]13O","62-59-9","CC=C(C)C(=O)OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(C)O)C5(O)CC42OC13O","CC=C(C)C(=O)OC1C2(C3C(CC1)(C4(C(CC3)C5(C(C6C(C(C5)O)(C(C7N(C6)CC(C)CC7)(C)O)O)(O)C4)O)O2)C)O",{"$nulls":4},591.3407321480014,"?"]
[213,"CO[P](=O)(OC)OC=C(Cl)Cl","62-73-7","COP(=O)(OC)OC=C(Cl)Cl","COP(=O)(OC)OC=C(Cl)Cl",{"$nulls":4},219.94590069400002,"?"]
[214,"[Na+].[O-]C(=O)CF","62-74-8","O=C([O-])CF","O=C(O)CF","[Na+]",{"$nulls":3},99.99365180400001,"Structure has been neutralized"]
[215,"CN(C)N=O","62-75-9","CN(C)N=O","CN(C)N=O",{"$nulls":4},74.048012812,"?"]
[216,"C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CCC2=O","63-05-8","CC12CCC3C(CCC4=CC(=O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)=CC(=O)CC4)C)CCC2=O",{"$nulls":4},286.19328007200073,"?"]
[217,"CNC(=O)Oc1cccc2ccccc12","63-25-2","CNC(=O)Oc1cccc2ccccc12","CNC(=O)Oc1c2c(ccc1)cccc2",{"$nulls":4},201.078978592,"?"]
[218,"OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O","63-42-3","OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",{"$nulls":4},342.11621152400056,"?"]
[219,"CSCC[CH](N)C(O)=O","63-68-3","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O",{"$nulls":4},149.051049592,"?"]
[220,"Nc1ccc(cc1)[S](N)(=O)=O","63-74-1","Nc1ccc(S(N)(=O)=O)cc1","Nc1ccc(cc1)S(N)(=O)=O",{"$nulls":4},172.030648496,"?"]
[221,"COC(=O)C1=CCCN(C)C1","63-75-2","COC(=O)C1=CCCN(C)C1","COC(=O)C=1CN(CCC1)C",{"$nulls":4},155.094628656,"?"]
[222,"N[CH](Cc1ccccc1)C(O)=O","63-91-2","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",{"$nulls":4},165.078978592,"?"]
[223,null,"64-00-6",{"$nulls":7},""]
[224,null,"64-02-8",{"$nulls":7},""]
[225,"CCO","64-17-5","CCO","CCO",{"$nulls":4},46.041864812,"?"]
[226,"OC=O","64-18-6","O=CO","O=CO",{"$nulls":4},46.005479304,"?"]
[227,"CC(O)=O","64-19-7","CC(=O)O","CC(=O)O",{"$nulls":4},60.021129368000004,"?"]
[228,"CN1CC[C]23[CH]4Oc5c(O)ccc(C[CH]1[CH]2C=C[CH]4O)c35.O[S](O)(=O)=O","64-31-3","CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","OS(O)(=O)=O",{"$nulls":3},383.1038730120006,"?"]
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[230,"CCO[S](=O)(=O)OCC","64-67-5","CCOS(=O)(=O)OCC","CCOS(=O)(=O)OCC",{"$nulls":4},154.0299798,"?"]
[231,"CCCCNC(=O)N[S](=O)(=O)c1ccc(C)cc1","64-77-7","CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C",{"$nulls":4},270.1038134360004,"?"]
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[233,"COC1=CC=C2C(=CC1=O)[CH](CCc3cc(OC)c(OC)c(OC)c23)NC(C)=O","64-86-8","COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2","COc1c(c(c-2c(c1)CCC(c3c2ccc(OC)c(=O)c3)NC(C)=O)OC)OC",{"$nulls":4},399.1681875200007,"?"]
[234,"[H+].[Cl-].Cc1ncc(CO)c(C=O)c1O","65-22-5","Cc1ncc(CO)c(C=O)c1O","Cc1c(c(c(cn1)CO)C=O)O","[Cl-]","[H+]",null,null,203.03492086,"?"]
[235,"NC(=O)c1ccccc1O","65-45-2","NC(=O)c1ccccc1O","NC(=O)c1c(cccc1)O",{"$nulls":4},137.047678464,"?"]
[236,"Nc1ccc(C(O)=O)c(O)c1","65-49-6","Nc1ccc(C(=O)O)c(O)c1","Nc1cc(c(cc1)C(=O)O)O",{"$nulls":4},153.042593084,"?"]
[237,"CC1=CNC(=O)NC1=O","65-71-4","Cc1c[nH]c(=O)[nH]c1=O","Cc1c([nH]c([nH]c1)=O)=O",{"$nulls":4},126.042927432,"?"]
[238,"CSCC[CH](NC(C)=O)C(O)=O","65-82-7","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",{"$nulls":4},191.061614276,"?"]
[239,"OC(=O)c1ccccc1","65-85-0","O=C(O)c1ccccc1","O=C(O)c1ccccc1",{"$nulls":4},122.036779432,"?"]
[240,"OC(=O)C1=CC(=O)NC(=O)N1","65-86-1","O=C(O)c1cc(=O)[nH]c(=O)[nH]1","O=C(O)c1[nH]c([nH]c(c1)=O)=O",{"$nulls":4},156.017106608,"?"]
[241,"N[CH](Cc1cc(I)c(O)c(I)c1)C(O)=O","66-02-4","NC(Cc1cc(I)c(O)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O",{"$nulls":4},432.8671891480002,"?"]
[242,"O=C1NC=CC(=O)N1","66-22-8","O=c1cc[nH]c(=O)[nH]1","O=c1[nH]c([nH]cc1)=O",{"$nulls":4},112.027277368,"?"]
[243,"CCCCCC=O","66-25-1","CCCCCC=O","CCCCCC=O",{"$nulls":4},100.088815004,"?"]
[244,"c1cnc2c(c1)ccc3cccnc23","66-71-7","c1cnc2c(c1)ccc1cccnc12","c1cc2c(nc1)c3c(cc2)cccn3",{"$nulls":4},180.068748256,"?"]
[245,"Cc1ncc(CO)c(C=O)c1O","66-72-8","Cc1ncc(CO)c(C=O)c1O","Cc1c(c(c(cn1)CO)C=O)O",{"$nulls":4},167.058243148,"?"]
[246,"C[CH]1C[CH](C)C(=O)[CH](C1)[CH](O)CC2CC(=O)NC(=O)C2","66-81-9","CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1","CC1CC(C(C(C1)C)=O)C(O)CC2CC(NC(C2)=O)=O",{"$nulls":4},281.1627082160006,"?"]
[247,"Cc1ncc(CN(C=O)C(C)=C(CCO)SSC(CCO)=C(C)N(Cc2cnc(C)nc2N)C=O)c(N)n1","67-16-3","CC(=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N","CC(=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1c(nc(nc1)C)N)N(C=O)Cc2c(nc(nc2)C)N",{"$nulls":4},562.214443568001,"?"]
[248,"[O-][N+](=O)c1oc(cc1)C=NN2CC(=O)NC2=O","67-20-9","O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1","O=C1NC(N(C1)N=Cc2oc(cc2)[N+](=O)[O-])=O",{"$nulls":4},238.033819292,"?"]
[249,"CC(=O)NN=Cc1oc(cc1)[N+]([O-])=O","67-28-7","CC(=O)NN=Cc1ccc([N+](=O)[O-])o1","CC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]",{"$nulls":4},197.043655704,"?"]
[250,"CO","67-56-1","CO","CO",{"$nulls":4},32.026214748,"?"]
[251,"CC(C)O","67-63-0","CC(C)O","CC(C)O",{"$nulls":4},60.057514876,"?"]
[252,"CC(C)=O","67-64-1","CC(C)=O","CC(C)=O",{"$nulls":4},58.041864812,"?"]
[253,"ClC(Cl)Cl","67-66-3","ClC(Cl)Cl","ClC(Cl)Cl",{"$nulls":4},117.91438307199999,"?"]
[254,"C[S](C)=O","67-68-5","CS(C)=O","CS(C)=O",{"$nulls":4},78.013935812,"?"]
[255,"ClC(Cl)(Cl)C(Cl)(Cl)Cl","67-72-1","ClC(Cl)(Cl)C(Cl)(Cl)Cl","ClC(Cl)(Cl)C(Cl)(Cl)Cl",{"$nulls":4},233.81311608,"?"]
[256,"CC(=O)OCC(=O)[C]1(O)[CH](C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]12C)OC(C)=O","67-78-7","CC(=O)OCC(=O)C1(O)C(OC(C)=O)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1OC(C)=O)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O",{"$nulls":4},478.20029617200083,"?"]
[257,"CN1C(=O)C23CC4=CC=CC(O)C4N2C(=O)C1(CO)SS3","67-99-2","CN1C(=O)C23CC4=CC=CC(O)C4N2C(=O)C1(CO)SS3","CN1C2(C(N3C(C1=O)(SS2)CC=4C3C(C=CC4)O)=O)CO",{"$nulls":4},326.0394989280004,"?"]
[258,"OC(=O)CS","68-11-1","O=C(O)CS","O=C(O)CS",{"$nulls":4},91.993200368,"?"]
[259,null,"68-12-2",{"$nulls":7},""]
[260,null,"68-19-9",{"$nulls":7},""]
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[262,"Nc1ccc(cc1)[S](=O)(=O)Nc2ncccn2","68-35-9","Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",{"$nulls":4},250.05244656,"?"]
[263,"O=C1NC=Nc2nc[nH]c12","68-94-0","O=c1[nH]cnc2nc[nH]c12","O=c1c2c(nc[nH]1)nc[nH]2",{"$nulls":4},136.038510748,"?"]
[264,"CC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C","68-96-2","CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O",{"$nulls":4},330.2194948200008,"?"]
[265,"OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1","69-23-8","OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3",{"$nulls":4},437.1748681120007,"?"]
[266,"Nc1ncnc2n(ccc12)C3OC(CO)C(O)C3O","69-33-0","Nc1ncnc2c1ccn2C1OC(CO)C(O)C1O","Nc1c2c(ncn1)n(cc2)C3C(C(C(O3)CO)O)O",{"$nulls":4},266.1015049280003,"?"]
[267,"CC1(C)S[CH]2[CH](NC(=O)[CH](N)c3ccccc3)C(=O)N2[CH]1C(O)=O","69-53-4","CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O","CC1(C(N2C(S1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O)C",{"$nulls":4},349.1096270880005,"?"]
[268,"OC[CH](O)[CH](O)[CH](O)[CH](O)CO","69-65-8","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",{"$nulls":4},182.079038168,"?"]
[269,"OC(=O)c1ccccc1O","69-72-7","O=C(O)c1ccccc1O","O=C(O)c1c(cccc1)O",{"$nulls":4},138.031694052,"?"]
[270,"OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O","69-79-4","OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",{"$nulls":4},342.11621152400056,"?"]
[271,"O=C1NC(=O)c2[nH]cnc2N1","69-89-6","O=c1[nH]c(=O)c2[nH]cnc2[nH]1","O=c1[nH]c2c(c([nH]1)=O)[nH]cn2",{"$nulls":4},152.033425368,"?"]
[272,"O=C1NC(=O)C2=C(N1)NC(=O)N2","69-93-2","O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1","O=c1[nH]c2c(c([nH]1)=O)[nH]c(=O)[nH]2",{"$nulls":4},168.028339988,"?"]
[273,"Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl","70-30-4","Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cc2c(c(cc(c2O)Cl)Cl)Cl",{"$nulls":4},403.84989551200016,"?"]
[274,"[O-][N+](=O)c1ccc(F)c(c1)[N+]([O-])=O","70-34-8","O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)F)[N+](=O)[O-]",{"$nulls":4},186.007684796,"?"]
[275,"N[CH](CC(N)=O)C(O)=O","70-47-3","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O",{"$nulls":4},132.053492116,"?"]
[276,"OC(=O)CC(S)C(O)=O","70-49-5","O=C(O)CC(S)C(=O)O","O=C(O)CC(S)C(=O)O",{"$nulls":4},149.998679672,"?"]
[277,"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","70-51-9","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN",{"$nulls":4},560.3533624960013,"?"]
[278,"Cc1ccc(cc1)[S](N)(=O)=O","70-55-3","Cc1ccc(S(N)(=O)=O)cc1","Cc1ccc(cc1)S(N)(=O)=O",{"$nulls":4},171.035399528,"?"]
[279,"CCC(=O)c1ccc(N)cc1","70-69-9","CCC(=O)c1ccc(N)cc1","CCC(=O)c1ccc(cc1)N",{"$nulls":4},149.084063972,"?"]
[280,"CCC(=O)c1ccc(O)cc1","70-70-2","CCC(=O)c1ccc(O)cc1","CCC(=O)c1ccc(cc1)O",{"$nulls":4},150.06807956,"?"]
[281,"N[CH](Cc1c[nH]cn1)C(O)=O","71-00-1","NC(Cc1c[nH]cn1)C(=O)O","NC(Cc1nc[nH]c1)C(=O)O",{"$nulls":4},155.069476528,"?"]
[282,"CCCO","71-23-8","CCCO","CCCO",{"$nulls":4},60.057514876,"?"]
[283,"NC1=NC(=O)NC=C1","71-30-7","Nc1cc[nH]c(=O)n1","Nc1nc([nH]cc1)=O",{"$nulls":4},111.04326178,"?"]
[284,"CCCCO","71-36-3","CCCCO","CCCCO",{"$nulls":4},74.07316494,"?"]
[285,"CCCCCO","71-41-0","CCCCCO","CCCCCO",{"$nulls":4},88.088815004,"?"]
[286,"c1ccccc1","71-43-2","c1ccccc1","c1ccccc1",{"$nulls":4},78.046950192,"?"]
[287,"CC(Cl)(Cl)Cl","71-55-6","CC(Cl)(Cl)Cl","CC(Cl)(Cl)Cl",{"$nulls":4},131.930033136,"?"]
[288,"C[CH]1O[CH](C[CH](O)[CH]1O)O[CH]2[CH](O)C[CH](O[CH]2C)O[CH]3[CH](O)C[CH](O[CH]3C)O[CH]4CC[C]5(C)[CH](CC[CH]6[CH]5CC[C]7(C)[CH](CC[C]67O)C8=CC(=O)OC8)C4","71-63-6","CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(CC6)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O",{"$nulls":4},764.4346921080017,"?"]
[289,"Nc1ccc(cc1)[S](=O)(=O)Nc2sccn2","72-14-0","Nc1ccc(S(=O)(=O)Nc2nccs2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2sccn2",{"$nulls":4},255.013618528,"?"]
[290,"[Na+].CC(O)C([O-])=O","72-17-3","CC(O)C(=O)[O-]","CC(O)C(=O)O","[Na+]",{"$nulls":3},112.01363830000001,"Structure has been neutralized"]
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[292,null,"72-19-5",{"$nulls":7},""]
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[295,"Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O","72-48-0","O=C1c2ccccc2C(=O)c2c1ccc(O)c2O","O=C1c2c(C(c3c1cccc3)=O)c(c(cc2)O)O",{"$nulls":4},240.042258736,"?"]
[296,"ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2","72-54-8","Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)Cl)cc1","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)Cl",{"$nulls":4},317.95366104000027,"?"]
[297,"Clc1ccc(cc1)C(=C(Cl)Cl)c2ccc(Cl)cc2","72-55-9","ClC(Cl)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1","ClC(Cl)=C(c1ccc(cc1)Cl)c2ccc(cc2)Cl",{"$nulls":4},315.9380109760002,"?"]
[298,"CCc1ccccc1C(C(Cl)Cl)c2ccccc2CC","72-56-0","CCc1ccccc1C(c1ccccc1CC)C(Cl)Cl","CCc1c(cccc1)C(c2c(cccc2)CC)C(Cl)Cl",{"$nulls":4},306.09420600000055,"?"]
[299,"N[CH](Cc1c[nH]c2ccccc12)C(O)=O","73-22-3","NC(Cc1c[nH]c2ccccc12)C(=O)O","NC(Cc1c2c([nH]c1)cccc2)C(=O)O",{"$nulls":4},204.089877624,"?"]
[300,"Nc1ncnc2nc[nH]c12","73-24-5","Nc1ncnc2nc[nH]c12","Nc1c2c(ncn1)nc[nH]2",{"$nulls":4},135.05449516,"?"]
[301,"CC[CH](C)[CH](N)C(O)=O","73-32-5","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[302,"NC1=Nc2nc[nH]c2C(=O)N1","73-40-5","Nc1nc2nc[nH]c2c(=O)[nH]1","Nc1[nH]c(c2c(n1)nc[nH]2)=O",{"$nulls":4},151.04940978,"?"]
[303,"N[S](=O)(=O)c1cc2c(NC(Cc3ccccc3)N[S]2(=O)=O)cc1C(F)(F)F","73-48-3","NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)Cc3ccccc3)(=O)=O)C(F)(F)F",{"$nulls":4},421.03778258800037,"?"]
[304,"CCC1NC(=O)c2cc(c(Cl)cc2N1)[S](N)(=O)=O","73-49-4","CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1","CCC1Nc2c(C(N1)=O)cc(S(N)(=O)=O)c(Cl)c2",{"$nulls":4},289.0287899240003,"?"]
[305,"OC(=O)c1ccc(Cl)cc1","74-11-3","O=C(O)c1ccc(Cl)cc1","O=C(O)c1ccc(cc1)Cl",{"$nulls":4},155.99780708,"?"]
[306,"N[CH](CCCNC(N)=N)C(O)=O","74-79-3","N=C(N)NCCCC(N)C(=O)O","N=C(N)NCCCC(N)C(=O)O",{"$nulls":4},174.111675688,"?"]
[307,"C","74-82-8","C","C",{"$nulls":4},16.031300127999998,"?"]
[308,"CBr","74-83-9","CBr","CBr",{"$nulls":4},93.941812196,"?"]
[309,"CC","74-84-0","CC","CC",{"$nulls":4},30.046950191999997,"?"]
[310,"C=C","74-85-1","C=C","C=C",{"$nulls":4},28.031300127999998,"?"]
[311,"C#C","74-86-2","C#C","C#C",{"$nulls":4},26.015650064,"?"]
[312,"CCl","74-87-3","CCl","CCl",{"$nulls":4},49.992327775999996,"?"]
[313,"CI","74-88-4","CI","CI",{"$nulls":4},141.927948096,"?"]
[314,"CN","74-89-5","CN","CN",{"$nulls":4},31.042199159999996,"?"]
[315,"C#N","74-90-8","C#N","C#N",{"$nulls":4},27.010899031999998,"?"]
[316,"CS","74-93-1","CS","CS",{"$nulls":4},48.003371128,"?"]
[317,"BrCBr","74-95-3","BrCBr","BrCBr",{"$nulls":4},171.852324264,"?"]
[318,"CCBr","74-96-4","CCBr","CCBr",{"$nulls":4},107.95746226,"?"]
[319,"ClCBr","74-97-5","ClCBr","ClCBr",{"$nulls":4},127.902839844,"?"]
[320,"CCC","74-98-6","CCC","CCC",{"$nulls":4},44.062600255999996,"?"]
[321,"CC#C","74-99-7","C#CC","C#CC",{"$nulls":4},40.031300128,"?"]
[322,"CCCl","75-00-3","CCCl","CCCl",{"$nulls":4},64.00797784,"?"]
[323,"ClC=C","75-01-4","C=CCl","C=CCl",{"$nulls":4},61.992327775999996,"?"]
[324,"CCI","75-03-6","CCI","CCI",{"$nulls":4},155.94359816,"?"]
[325,"CCN","75-04-7","CCN","CCN",{"$nulls":4},45.057849223999995,"?"]
[326,"CC#N","75-05-8","CC#N","CC#N",{"$nulls":4},41.026549096,"?"]
[327,"CC=O","75-07-0","CC=O","CC=O",{"$nulls":4},44.026214748,"?"]
[328,"CCS","75-08-1","CCS","CCS",{"$nulls":4},62.019021192,"?"]
[329,"ClCCl","75-09-2","ClCCl","ClCCl",{"$nulls":4},83.953355424,"?"]
[330,"ICI","75-11-6","ICI","ICI",{"$nulls":4},267.82459606400005,"?"]
[331,"NC=O","75-12-7","NC=O","NC=O",{"$nulls":4},45.021463716,"?"]
[332,"S=C=S","75-15-0","S=C=S","S=C=S",{"$nulls":4},75.944142,"?"]
[333,"NC=NO","75-17-2","NC=NO","NC=NO",{"$nulls":4},60.032362748,"?"]
[334,"CSC","75-18-3","CSC","CSC",{"$nulls":4},62.019021192,"?"]
[335,"C1CC1","75-19-4","C1CC1","C1CC1",{"$nulls":4},42.046950192,"?"]
[336,"C1CO1","75-21-8","C1CO1","C1OC1",{"$nulls":4},44.026214748,"?"]
[337,"BrC(Br)Br","75-25-2","BrC(Br)Br","BrC(Br)Br",{"$nulls":4},249.762836332,"?"]
[338,"CC(C)Br","75-26-3","CC(C)Br","CC(C)Br",{"$nulls":4},121.973112324,"?"]
[339,"ClC(Cl)Br","75-27-4","ClC(Cl)Br","ClC(Cl)Br",{"$nulls":4},161.863867492,"?"]
[340,"CC(C)C","75-28-5","CC(C)C","CC(C)C",{"$nulls":4},58.078250319999995,"?"]
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[342,"CC(C)I","75-30-9","CC(C)I","CC(C)I",{"$nulls":4},169.959248224,"?"]
[343,"CC(C)N","75-31-0","CC(C)N","CC(C)N",{"$nulls":4},59.073499287999994,"?"]
[344,"CC(Cl)Cl","75-34-3","CC(Cl)Cl","CC(Cl)Cl",{"$nulls":4},97.969005488,"?"]
[345,"ClC(Cl)=C","75-35-4","C=C(Cl)Cl","C=C(Cl)Cl",{"$nulls":4},95.953355424,"?"]
[346,"CC(F)F","75-37-6","CC(F)F","CC(F)F",{"$nulls":4},66.028106568,"?"]
[347,"FC(F)=C","75-38-7","C=C(F)F","C=C(F)F",{"$nulls":4},64.012456504,"?"]
[348,"FC(Cl)Cl","75-43-4","FC(Cl)Cl","FC(Cl)Cl",{"$nulls":4},101.943933612,"?"]
[349,"FC(F)Cl","75-45-6","FC(F)Cl","FC(F)Cl",{"$nulls":4},85.973484152,"?"]
[350,"FC(F)F","75-46-7","FC(F)F","FC(F)F",{"$nulls":4},70.003034692,"?"]
[351,"IC(I)I","75-47-8","IC(I)I","IC(I)I",{"$nulls":4},393.721244032,"?"]
[352,"CN(C)C","75-50-3","CN(C)C","CN(C)C",{"$nulls":4},59.073499287999994,"?"]
[353,"C[N+]([O-])=O","75-52-5","C[N+](=O)[O-]","C[N+](=O)[O-]",{"$nulls":4},61.016378336,"?"]
[354,"CC1CN1","75-55-8","CC1CN1","CC1NC1",{"$nulls":4},57.057849223999995,"?"]
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[357,"FC(F)(F)Br","75-63-8","FC(F)(F)Br","FC(F)(F)Br",{"$nulls":4},147.91354676,"?"]
[358,"CC(C)(C)N","75-64-9","CC(C)(C)N","CC(C)(C)N",{"$nulls":4},73.08914935199999,"?"]
[359,"CC(C)(C)O","75-65-0","CC(C)(C)O","CC(C)(C)O",{"$nulls":4},74.07316494,"?"]
[360,"CC(F)(F)Cl","75-68-3","CC(F)(F)Cl","CC(F)(F)Cl",{"$nulls":4},99.989134216,"?"]
[361,"FC(Cl)(Cl)Cl","75-69-4","FC(Cl)(Cl)Cl","FC(Cl)(Cl)Cl",{"$nulls":4},135.90496126,"?"]
[362,"FC(F)(Cl)Cl","75-71-8","FC(F)(Cl)Cl","FC(F)(Cl)Cl",{"$nulls":4},119.9345118,"?"]
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[364,"FC(F)(F)F","75-73-0","FC(F)(F)F","FC(F)(F)F",{"$nulls":4},87.99361288,"?"]
[365,"C[S](O)(=O)=O","75-75-2","CS(=O)(=O)O","CS(=O)(=O)O",{"$nulls":4},95.988114988,"?"]
[366,"C[Si](C)(C)C","75-76-3","C[Si](C)(C)C","C[Si](C)(C)C",{"$nulls":4},88.070826914,"?"]
[367,"OCC(Br)(Br)Br","75-80-9","OCC(Br)(Br)Br","OCC(Br)(Br)Br",{"$nulls":4},279.7734010160001,"?"]
[368,"CCC(C)(C)C","75-83-2","CCC(C)(C)C","CCC(C)(C)C",{"$nulls":4},86.109550448,"?"]
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[370,"CCC(C)(C)O","75-85-4","CCC(C)(C)O","CCC(C)(C)O",{"$nulls":4},88.088815004,"?"]
[371,"CC(C)(O)C#N","75-86-5","CC(C)(O)C#N","CC(C)(O)C#N",{"$nulls":4},85.052763844,"?"]
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[374,"OCC(F)(F)F","75-89-8","OCC(F)(F)F","OCC(F)(F)F",{"$nulls":4},100.013599376,"?"]
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[376,"CC(=O)C(C)(C)C","75-97-8","CC(=O)C(C)(C)C","CC(=O)C(C)(C)C",{"$nulls":4},100.088815004,"?"]
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[430,"CCC(CO)(CO)CO","77-99-6","CCC(CO)(CO)CO","CCC(CO)(CO)CO",{"$nulls":4},134.094294308,"?"]
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[432,"CCC(C)(O)CC.NC(O)=O","78-28-4","CCC(C)(O)CC","CCC(C)(O)CC","NC(O)=O",{"$nulls":3},163.120843404,"?"]
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[434,"CCO[P](=O)(OCC)OCC","78-40-0","CCOP(=O)(OCC)OCC","CCOP(=O)(OCC)OCC",{"$nulls":4},182.07079559,"?"]
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[436,"CCCCO[P](=O)(CCCC)OCCCC","78-46-6","CCCCOP(=O)(CCCC)OCCCC","CCCCOP(=O)(CCCC)OCCCC",{"$nulls":4},250.169781354,"?"]
[437,"CCCCS[P](=O)(SCCCC)SCCCC","78-48-8","CCCCSP(=O)(SCCCC)SCCCC","CCCCSP(=O)(SCCCC)SCCCC",{"$nulls":4},314.09616511400077,"?"]
[438,null,"78-51-3",{"$nulls":7},""]
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[442,"CC(C)=CCCC(C)(O)C=C","78-70-6","C=CC(C)(O)CCC=C(C)C","C=CC(C)(O)CCC=C(C)C",{"$nulls":4},154.135765196,"?"]
[443,"BrCC(Br)Br","78-74-0","BrCC(Br)Br","BrCC(Br)Br",{"$nulls":4},263.77848639600006,"?"]
[444,"CC(Br)CBr","78-75-1","CC(Br)CBr","CC(Br)CBr",{"$nulls":4},199.883624392,"?"]
[445,"CC(C)CBr","78-77-3","CC(C)CBr","CC(C)CBr",{"$nulls":4},135.988762388,"?"]
[446,"CCC(C)C","78-78-4","CCC(C)C","CCC(C)C",{"$nulls":4},72.093900384,"?"]
[447,"CC(=C)C=C","78-79-5","C=CC(=C)C","C=CC(=C)C",{"$nulls":4},68.062600256,"?"]
[448,"CC(C)CN","78-81-9","CC(C)CN","CC(C)CN",{"$nulls":4},73.08914935199999,"?"]
[449,"CC(C)CO","78-83-1","CC(C)CO","CC(C)CO",{"$nulls":4},74.07316494,"?"]
[450,"CC(C)C=O","78-84-2","CC(C)C=O","CC(C)C=O",{"$nulls":4},72.057514876,"?"]
[451,"CC(=C)C=O","78-85-3","C=C(C)C=O","C=C(C)C=O",{"$nulls":4},70.041864812,"?"]
[452,"CCC(C)Cl","78-86-4","CCC(C)Cl","CCC(C)Cl",{"$nulls":4},92.039277968,"?"]
[453,"CC(Cl)CCl","78-87-5","CC(Cl)CCl","CC(Cl)CCl",{"$nulls":4},111.98465555199999,"?"]
[454,"ClCC(Cl)=C","78-88-6","C=C(Cl)CCl","C=C(Cl)CCl",{"$nulls":4},109.969005488,"?"]
[455,"CCC(C)O","78-92-2","CCC(C)O","CCC(C)O",{"$nulls":4},74.07316494,"?"]
[456,"CCC(C)=O","78-93-3","CCC(C)=O","CCC(C)=O",{"$nulls":4},72.057514876,"?"]
[457,"CC(=O)CCl","78-95-5","CC(=O)CCl","CC(=O)CCl",{"$nulls":4},92.00289246,"?"]
[458,"CC(O)CN","78-96-6","CC(O)CN","CC(O)CN",{"$nulls":4},75.068413908,"?"]
[459,"CCC(Cl)Cl","78-99-9","CCC(Cl)Cl","CCC(Cl)Cl",{"$nulls":4},111.98465555199999,"?"]
[460,"ClCC(Cl)Cl","79-00-5","ClCC(Cl)Cl","ClCC(Cl)Cl",{"$nulls":4},131.930033136,"?"]
[461,"ClC=C(Cl)Cl","79-01-6","ClC=C(Cl)Cl","ClC=C(Cl)Cl",{"$nulls":4},129.914383072,"?"]
[462,"NC(=O)C=C","79-06-1","C=CC(N)=O","C=CC(N)=O",{"$nulls":4},71.03711378,"?"]
[463,"NC(=O)CCl","79-07-2","NC(=O)CCl","NC(=O)CCl",{"$nulls":4},92.998141428,"?"]
[464,"OC(=O)CBr","79-08-3","O=C(O)CBr","O=C(O)CBr",{"$nulls":4},137.931641436,"?"]
[465,"CCC(O)=O","79-09-4","CCC(=O)O","CCC(=O)O",{"$nulls":4},74.036779432,"?"]
[466,"OC(=O)C=C","79-10-7","C=CC(=O)O","C=CC(=O)O",{"$nulls":4},72.021129368,"?"]
[467,"OC(=O)CCl","79-11-8","O=C(O)CCl","O=C(O)CCl",{"$nulls":4},93.982157016,"?"]
[468,"CNC(C)=O","79-16-3","CNC(C)=O","CNC(C)=O",{"$nulls":4},73.052763844,"?"]
[469,"NNC(N)=S","79-19-6","NNC(N)=S","NNC(N)=S",{"$nulls":4},91.02041815999999,"?"]
[470,"COC(C)=O","79-20-9","COC(C)=O","COC(C)=O",{"$nulls":4},74.036779432,"?"]
[471,"CC(=O)OO","79-21-0","CC(=O)OO","CC(=O)OO",{"$nulls":4},76.016043988,"?"]
[472,"CC[N+]([O-])=O","79-24-3","CC[N+](=O)[O-]","CC[N+](=O)[O-]",{"$nulls":4},75.0320284,"?"]
[473,"BrC(Br)C(Br)Br","79-27-6","BrC(Br)C(Br)Br","BrC(Br)C(Br)Br",{"$nulls":4},341.68899846400006,"?"]
[474,"CC(C)C(C)C","79-29-8","CC(C)C(C)C","CC(C)C(C)C",{"$nulls":4},86.109550448,"?"]
[475,"CC(C)C(O)=O","79-31-2","CC(C)C(=O)O","CC(C)C(=O)O",{"$nulls":4},88.052429496,"?"]
[476,"ClC(Cl)C(Cl)Cl","79-34-5","ClC(Cl)C(Cl)Cl","ClC(Cl)C(Cl)Cl",{"$nulls":4},165.891060784,"?"]
[477,"CC(=C)C(O)=O","79-41-4","C=C(C)C(=O)O","C=C(C)C(=O)O",{"$nulls":4},86.036779432,"?"]
[478,"OC(=O)C(Cl)Cl","79-43-6","O=C(O)C(Cl)Cl","O=C(O)C(Cl)Cl",{"$nulls":4},127.943184664,"?"]
[479,"CC(C)[N+]([O-])=O","79-46-9","CC(C)[N+](=O)[O-]","CC(C)[N+](=O)[O-]",{"$nulls":4},89.047678464,"?"]
[480,null,"79-57-2",{"$nulls":7},""]
[481,"CC(C)(CO)[CH](O)C(=O)NCCC(O)=O","79-83-4","CC(C)(CO)C(O)C(=O)NCCC(=O)O","CC(C)(CO)C(O)C(=O)NCCC(=O)O",{"$nulls":4},219.110672644,"?"]
[482,"CC1(C)OCCC1C(O)=O","79-91-4","CC1(C)OCCC1C(=O)O","CC1(C(CCO1)C(=O)O)C",{"$nulls":4},144.078644244,"?"]
[483,"CC1(C)C2CCC(C2)C1=C","79-92-5","C=C1C2CCC(C2)C1(C)C","C=C1C(C2CCC1C2)(C)C",{"$nulls":4},136.125200512,"?"]
[484,"CC(O)Nc1ccccc1[S](=O)(=O)c2ccc(N)cc2","80-02-4","CC(O)Nc1ccccc1S(=O)(=O)c1ccc(N)cc1","CC(O)Nc1c(cccc1)S(=O)(=O)c2ccc(cc2)N",{"$nulls":4},292.08816337200045,"?"]
[485,"CC(C)(c1ccc(O)cc1)c2ccc(O)cc2","80-05-7","CC(C)(c1ccc(O)cc1)c1ccc(O)cc1","CC(C)(c1ccc(cc1)O)c2ccc(cc2)O",{"$nulls":4},228.115029752,"?"]
[486,null,"80-08-0",{"$nulls":7},""]
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[488,"CO[S](=O)(=O)c1ccccc1","80-18-2","COS(=O)(=O)c1ccccc1","COS(=O)(=O)c1ccccc1",{"$nulls":4},172.019415116,"?"]
[489,"Nc1ccc(cc1)[S](=O)(=O)Nc2ccc(Cl)nn2","80-32-0","Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nnc(cc2)Cl",{"$nulls":4},284.0134742080003,"?"]
[490,null,"80-34-2",{"$nulls":7},""]
[491,"COc1ccc(N[S](=O)(=O)c2ccc(N)cc2)nn1","80-35-3","COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1","COc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},280.06301124400034,"?"]
[492,"CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2","80-43-3","CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1","CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2",{"$nulls":4},270.1619799440004,"?"]
[493,"CCC(C)(C)c1ccc(O)cc1","80-46-6","CCC(C)(C)c1ccc(O)cc1","CCC(C)(C)c1ccc(cc1)O",{"$nulls":4},164.120115132,"?"]
[494,"CC(C)(O)C1CCC(C)(O)CC1","80-53-5","CC1(O)CCC(C(C)(C)O)CC1","CC1(CCC(CC1)C(C)(C)O)O",{"$nulls":4},172.14632988,"?"]
[495,"CC1=CCC2CC1C2(C)C","80-56-8","CC1=CCC2CC1C2(C)C","CC=1C2CC(CC1)C2(C)C",{"$nulls":4},136.125200512,"?"]
[496,null,"80-58-0",{"$nulls":7},""]
[497,"CCC(N)C(O)=O","80-60-4","CCC(N)C(=O)O","CCC(N)C(=O)O",{"$nulls":4},103.063328528,"?"]
[498,"COC(=O)C(C)=C","80-62-6","C=C(C)C(=O)OC","C=C(C)C(=O)OC",{"$nulls":4},100.052429496,"?"]
[499,"CC(O)C(N)C(O)=O","80-68-2","CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O",{"$nulls":4},119.058243148,"?"]
[500,"CC(=O)N(c1onc(C)c1C)[S](=O)(=O)c2ccc(N)cc2","80-74-0","CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1","CC(=O)N(c1c(c(no1)C)C)S(=O)(=O)c2ccc(cc2)N",{"$nulls":4},309.0783269600004,"?"]
[501,null,"80-75-1",{"$nulls":7},""]
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[503,null,"81-07-2",{"$nulls":7},""]
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[505,"CC(=O)c1c(C)c(c(c(c1C)[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O","81-14-1","CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C","CC(=O)c1c(c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C",{"$nulls":4},294.1215716760005,"?"]
[506,"C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3[CH](CC(=O)[C]12C)[C]4(C)CCC(=O)C[CH]4CC3=O","81-23-2","CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3=O)CC(=O)CC4)C)CC2=O)C",{"$nulls":4},402.2406241880009,"?"]
[507,"C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C","81-25-4","CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C",{"$nulls":4},408.2875743800011,"?"]
[508,"Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O","81-54-9","O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21","O=C1c2c(C(c3c1cccc3)=O)c(O)c(O)cc2O",{"$nulls":4},256.03717335600004,"?"]
[509,"CC(=O)CC(c1ccccc1)C2=C(O)Oc3ccccc3C2=O","81-81-2","CC(=O)CC(c1ccccc1)c1c(O)oc2ccccc2c1=O","CC(=O)CC(c1ccccc1)c2c(c3c(oc2O)cccc3)=O",{"$nulls":4},308.1048589920004,"?"]
[510,"CC(=O)CC(c1ccc(Cl)cc1)C2=C(O)Oc3ccccc3C2=O","81-82-3","CC(=O)CC(c1ccc(Cl)cc1)c1c(O)oc2ccccc2c1=O","CC(=O)CC(c1ccc(cc1)Cl)c2c(c3c(oc2O)cccc3)=O",{"$nulls":4},342.06588664000043,"?"]
[511,null,"81-90-3",{"$nulls":7},""]
[512,"COc1c2occc2c(OC)c3C(=O)C=C(C)Oc13","82-02-0","COc1c2occc2c(OC)c2c(=O)cc(C)oc12","COc1c2c(c(c3c1occ3)OC)c(=O)cc(C)o2",{"$nulls":4},260.06847348400015,"?"]
[513,"Cc1ccc2C(=O)c3ccccc3C(=O)c2c1N","82-28-0","Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O","Cc1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)N",{"$nulls":4},237.078978592,"?"]
[514,"O[S](=O)(=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)[S](O)(=O)=O","82-48-4","O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2c1cccc2S(=O)(=O)O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)c(ccc2)S(=O)(=O)O",{"$nulls":4},367.96605921600013,"?"]
[515,"O=C(C(c1ccccc1)c2ccccc2)C3C(=O)c4ccccc4C3=O","82-66-6","O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccccc4",{"$nulls":4},340.1099443720004,"?"]
[516,"[O-][N+](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","82-68-8","O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},292.83716664,"?"]
[517,"Oc1c(cc(c(O)c1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","82-71-3","O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O","O=[N+]([O-])c1c(c(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])O",{"$nulls":4},244.99201405600002,"?"]
[518,"CN1CCN(CC1)C(c2ccccc2)c3ccccc3","82-92-8","CN1CCN(C(c2ccccc2)c2ccccc2)CC1","CN1CCN(CC1)C(c2ccccc2)c3ccccc3",{"$nulls":4},266.17829870400027,"?"]
[519,"CN1N(c2ccccc2)C(=O)C(=C1C)N","83-07-8","Cc1c(N)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1N)=O)-c2ccccc2)C",{"$nulls":4},203.105862036,"?"]
[520,"CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O","83-26-1","CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O","CC(C)(C)C(=O)C1C(c2c(C1=O)cccc2)=O",{"$nulls":4},230.094294308,"?"]
[521,"C1Cc2cccc3cccc1c23","83-32-9","c1cc2c3c(cccc3c1)CC2","c1cc2c3c(c1)CCc3ccc2",{"$nulls":4},154.07825032,"?"]
[522,"Cc1c[nH]c2ccccc12","83-34-1","Cc1c[nH]c2ccccc12","Cc1c2c([nH]c1)cccc2",{"$nulls":4},131.073499288,"?"]
[523,"Cc1cccc(C(O)=O)c1O","83-40-9","Cc1cccc(C(=O)O)c1O","Cc1c(c(ccc1)C(=O)O)O",{"$nulls":4},152.047344116,"?"]
[524,"C[CH]1C[CH]2[CH]3CC[C](O)(C(=O)CO)[C]3(C)C[CH](O)[CH]2[C]4(C)C=CC(=O)C=C14","83-43-2","CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12","CC1C=2C(C3C(C1)C4C(CC3O)(C(CC4)(O)C(=O)CO)C)(C)C=CC(=O)C2",{"$nulls":4},374.2093240600008,"?"]
[525,"C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C","83-44-3","CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C",{"$nulls":4},392.2926597600011,"?"]
[526,"CC(CCC(O)=O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C","83-49-8","CC(CCC(=O)O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(C(C3)O)CC(O)CC4)C)CC2)C",{"$nulls":4},392.29265976000113,"?"]
[527,"CN1C=CC(=O)c2ccccc12","83-54-5","Cn1ccc(=O)c2ccccc21","Cn1c2c(c(cc1)=O)cccc2",{"$nulls":4},159.068413908,"?"]
[528,"Oc1cccc2c(O)cccc12","83-56-7","Oc1cccc2c(O)cccc12","Oc1c2c(ccc1)c(O)ccc2",{"$nulls":4},160.052429496,"?"]
[529,"Cn1cnc2N(C)C(=O)NC(=O)c12","83-67-0","Cn1cnc2c1c(=O)[nH]c(=O)n2C","Cn1c2c(nc1)n(c([nH]c2=O)=O)C",{"$nulls":4},180.064725496,"?"]
[530,"COc1cc2OC[CH]3Oc4c5C[CH](Oc5ccc4C(=O)[CH]3c2cc1OC)C(C)=C","83-79-4","C=C(C)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1","C=C(C)C1Oc2c(C1)c3c(cc2)C(C4C(O3)COc5c4cc(c(c5)OC)OC)=O",{"$nulls":4},394.1416384240006,"?"]
[531,"O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O","83-86-3","O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O","O=P(O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O",{"$nulls":4},659.8613712360005,"?"]
[532,"Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)CO)c2cc1C","83-88-5","Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C","Cc1c(cc2c(c1)nc3-c(nc([nH]c3=O)=O)n2CC(O)C(O)C(O)CO)C",{"$nulls":4},376.1382843600005,"?"]
[533,"CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1","84-06-0","CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1","CC(=O)OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",{"$nulls":4},445.1590758160008,"?"]
[534,"O=C1C(=O)c2ccccc2c3ccccc13","84-11-7","O=C1C(=O)c2ccccc2-c2ccccc21","O=C1c2c(-c3c(C1=O)cccc3)cccc2",{"$nulls":4},208.052429496,"?"]
[535,"c1ccc(cc1)c2ccccc2c3ccccc3","84-15-1","c1ccc(-c2ccccc2-c2ccccc2)cc1","c1ccc(cc1)-c2c(cccc2)-c3ccccc3",{"$nulls":4},230.109550448,"?"]
[536,"CCC(C(CC)c1ccc(O)cc1)c2ccc(O)cc2","84-16-2","CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1","CCC(c1ccc(cc1)O)C(CC)c2ccc(cc2)O",{"$nulls":4},270.1619799440004,"?"]
[537,"CC=C(c1ccc(O)cc1)C(=CC)c2ccc(O)cc2","84-17-3","CC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1","CC=C(C(=CC)c1ccc(cc1)O)c2ccc(cc2)O",{"$nulls":4},266.1306798160003,"?"]
[538,"Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O[P](O)(O)=O)[CH]3O","84-21-9","Nc1ncnc2c1ncn2C1OC(CO)C(OP(=O)(O)O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O",{"$nulls":4},347.0630844180003,"?"]
[539,"COc1ccc2nccc(C(=O)C3CC4CCN3CC4C=C)c2c1","84-31-1","C=CC1CN2CCC1CC2C(=O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(=O)c3c4c(ncc3)ccc(OC)c4",{"$nulls":4},322.1681279440006,"?"]
[540,"Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1","84-60-6","O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21","O=C1c2c(C(c3c1ccc(O)c3)=O)ccc(O)c2",{"$nulls":4},240.042258736,"?"]
[541,"O=C(OC1CCCCC1)c2ccccc2C(=O)OC3CCCCC3","84-61-7","O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1","O=C(OC1CCCCC1)c2c(cccc2)C(=O)OC3CCCCC3",{"$nulls":4},330.18310931200074,"?"]
[542,"O=C(Oc1ccccc1)c2ccccc2C(=O)Oc3ccccc3","84-62-8","O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1","O=C(Oc1ccccc1)c2c(cccc2)C(=O)Oc3ccccc3",{"$nulls":4},318.0892089280004,"?"]
[543,"O=C1c2ccccc2C(=O)c3ccccc13","84-65-1","O=C1c2ccccc2C(=O)c2ccccc21","O=C1c2c(C(c3c1cccc3)=O)cccc2",{"$nulls":4},208.052429496,"?"]
[544,"CCOC(=O)c1ccccc1C(=O)OCC","84-66-2","CCOC(=O)c1ccccc1C(=O)OCC","CCOC(=O)c1c(cccc1)C(=O)OCC",{"$nulls":4},222.089208928,"?"]
[545,"CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C","84-69-5","CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C","CC(C)COC(=O)c1c(cccc1)C(=O)OCC(C)C",{"$nulls":4},278.1518091840006,"?"]
[546,"CCCCOC(=O)c1ccccc1C(=O)OCCCC","84-74-2","CCCCOC(=O)c1ccccc1C(=O)OCCCC","CCCCOC(=O)c1c(cccc1)C(=O)OCCCC",{"$nulls":4},278.1518091840006,"?"]
[547,"CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC","84-75-3","CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC","CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC",{"$nulls":4},334.21440944000085,"?"]
[548,"CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC","84-77-5","CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC","CCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCCCC",{"$nulls":4},446.33960995200124,"?"]
[549,"COc1c2C=CC(=O)Oc2cc3OC(C)(C)C=Cc13","84-99-1","COc1c2c(cc3oc(=O)ccc13)OC(C)(C)C=C2","COc1c2c(cc3c1C=CC(O3)(C)C)oc(=O)cc2",{"$nulls":4},258.08920892800006,"?"]
[550,"[Br-].[Br-].C1C[n+]2ccccc2c3cccc[n+]13","85-00-7","c1cc[n+]2c(c1)-c1cccc[n+]1CC2","c1cc-2[n+](cc1)CC[n+]3c2cccc3","[Br-]","[Br-]",null,null,341.936722584,"?"]
[551,"c1ccc2c(c1)ccc3ccccc23","85-01-8","c1ccc2c(c1)ccc1ccccc12","c1cc2c(cc1)c3c(cc2)cccc3",{"$nulls":4},178.07825032,"?"]
[552,"c1ccc2c(c1)ccc3ncccc23","85-02-9","c1ccc2c(c1)ccc1ncccc12","c1cc2c(cc1)c3c(cc2)nccc3",{"$nulls":4},179.073499288,"?"]
[553,"CN1C(=O)N(C)c2nc(Cl)[nH]c2C1=O","85-18-7","Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O","Cn1c(n(c2c(c1=O)[nH]c(Cl)n2)C)=O",{"$nulls":4},214.025753144,"?"]
[554,"OC(=O)Cc1c(Cl)ccc(Cl)c1Cl","85-34-7","O=C(O)Cc1c(Cl)ccc(Cl)c1Cl","O=C(O)Cc1c(c(ccc1Cl)Cl)Cl",{"$nulls":4},237.93551244,"?"]
[555,"OC(=O)c1ccc(cc1O)[N+]([O-])=O","85-38-1","O=C(O)c1ccc([N+](=O)[O-])cc1O","O=C(O)c1c(cc(cc1)[N+](=O)[O-])O",{"$nulls":4},183.01677226,"?"]
[556,"O=C1NC(=O)c2ccccc12","85-41-6","O=C1NC(=O)c2ccccc21","O=C1c2c(C(N1)=O)cccc2",{"$nulls":4},147.0320284,"?"]
[557,"O=C1OC(=O)c2ccccc12","85-44-9","O=C1OC(=O)c2ccccc21","O=C1c2c(C(O1)=O)cccc2",{"$nulls":4},148.01604398799998,"?"]
[558,"OC(=O)c1ccccc1C(=O)c2ccc(Cl)cc2","85-56-3","O=C(O)c1ccccc1C(=O)c1ccc(Cl)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Cl",{"$nulls":4},260.0240218280001,"?"]
[559,"OC(=O)c1ccccc1C(=O)c2ccc(O)cc2","85-57-4","O=C(O)c1ccccc1C(=O)c1ccc(O)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)O",{"$nulls":4},242.0579088,"?"]
[560,"CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2","85-68-7","CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1","CCCCOC(=O)c1c(cccc1)C(=O)OCc2ccccc2",{"$nulls":4},312.13615912000057,"?"]
[561,"Cc1cccc(NC(=O)c2ccccc2C(O)=O)c1","85-72-3","Cc1cccc(NC(=O)c2ccccc2C(=O)O)c1","Cc1cc(ccc1)NC(=O)c2c(cccc2)C(=O)O",{"$nulls":4},255.089543276,"?"]
[562,"OC(=O)c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)Nc3sccn3","85-73-4","O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1","O=C(O)c1c(cccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3sccn3",{"$nulls":4},403.0296625160003,"?"]
[563,"Nc1c2cc(ccc2ccc1[S](O)(=O)=O)[S](O)(=O)=O","85-74-5","Nc1c(S(=O)(=O)O)ccc2ccc(S(=O)(=O)O)cc12","Nc1c2c(ccc1S(=O)(=O)O)ccc(S(=O)(=O)O)c2",{"$nulls":4},302.9871290080002,"?"]
[564,"Nc1ccc(c2ccc(cc12)[S](O)(=O)=O)[S](O)(=O)=O","85-75-6","Nc1ccc(S(=O)(=O)O)c2ccc(S(=O)(=O)O)cc12","Nc1c2c(c(cc1)S(=O)(=O)O)ccc(S(=O)(=O)O)c2",{"$nulls":4},302.9871290080002,"?"]
[565,"CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1","85-79-0","CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1","CCCCOc1nc2c(c(c1)C(=O)NCCN(CC)CC)cccc2",{"$nulls":4},343.22597716800084,"?"]
[566,"Nc1ccc2ccccc2c1N=Nc3ccccc3","85-84-7","Nc1ccc2ccccc2c1N=Nc1ccccc1","Nc1c(c2c(cc1)cccc2)N=Nc3ccccc3",{"$nulls":4},247.110947416,"?"]
[567,"N#CC(c1ccccc1)c2ccccc2","86-29-3","N#CC(c1ccccc1)c1ccccc1","N#CC(c1ccccc1)c2ccccc2",{"$nulls":4},193.089149352,"?"]
[568,"O=NN(c1ccccc1)c2ccccc2","86-30-6","O=NN(c1ccccc1)c1ccccc1","O=NN(c1ccccc1)c2ccccc2",{"$nulls":4},198.07931294,"?"]
[569,null,"86-50-0",{"$nulls":7},""]
[570,null,"86-55-5",{"$nulls":7},""]
[571,"[O-][N+](=O)c1cccc2ccccc12","86-57-7","O=[N+]([O-])c1cccc2ccccc12","O=[N+]([O-])c1c2c(ccc1)cccc2",{"$nulls":4},173.047678464,"?"]
[572,"OC(=O)c1cccc2cccnc12","86-59-9","O=C(O)c1cccc2cccnc12","O=C(O)c1c2c(ccc1)cccn2",{"$nulls":4},173.047678464,"?"]
[573,"Nc1ccc2cc(cc(c2c1)[S](O)(=O)=O)[S](O)(=O)=O","86-65-7","Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1","Nc1cc2c(cc1)cc(S(=O)(=O)O)cc2S(=O)(=O)O",{"$nulls":4},302.9871290080002,"?"]
[574,"C1c2ccccc2c3ccccc13","86-73-7","c1ccc2c(c1)Cc1ccccc1-2","c1cc2c(cc1)-c3c(C2)cccc3",{"$nulls":4},166.07825032,"?"]
[575,"[nH]1c2ccccc2c3ccccc13","86-74-8","c1ccc2c(c1)[nH]c1ccccc12","c1cc2c(cc1)c3c([nH]2)cccc3",{"$nulls":4},167.073499288,"?"]
[576,"COc1cc(C=O)cc(OC)c1OC","86-81-7","COc1cc(C=O)cc(OC)c1OC","COc1c(c(cc(c1)C=O)OC)OC",{"$nulls":4},196.073558864,"?"]
[577,"NC(=O)Cc1cccc2ccccc12","86-86-2","NC(=O)Cc1cccc2ccccc12","NC(=O)Cc1c2c(ccc1)cccc2",{"$nulls":4},185.084063972,"?"]
[578,"OC(=O)Cc1cccc2ccccc12","86-87-3","O=C(O)Cc1cccc2ccccc12","O=C(O)Cc1c2c(ccc1)cccc2",{"$nulls":4},186.06807956,"?"]
[579,null,"86-88-4",{"$nulls":7},""]
[580,"Cc1ccc2C(=O)NC(=O)Nc2c1","86-96-4","Cc1ccc2c(=O)[nH]c(=O)[nH]c2c1","Cc1cc2c(cc1)c(=O)[nH]c(=O)[nH]2",{"$nulls":4},176.058577496,"?"]
[581,"CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3","87-00-3","CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3",{"$nulls":4},275.15214353200054,"?"]
[582,"Oc1ccccc1C(=O)Nc2ccccc2","87-17-2","O=C(Nc1ccccc1)c1ccccc1O","O=C(Nc1ccccc1)c2c(cccc2)O",{"$nulls":4},213.078978592,"?"]
[583,"CC(C)CCOC(=O)c1ccccc1O","87-20-7","CC(C)CCOC(=O)c1ccccc1O","CC(C)CCOC(=O)c1c(cccc1)O",{"$nulls":4},208.109944372,"?"]
[584,"OCCOC(=O)c1ccccc1O","87-28-5","O=C(OCCO)c1ccccc1O","O=C(OCCO)c1c(cccc1)O",{"$nulls":4},182.0579088,"?"]
[585,"CC(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O","87-32-1","CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O","CC(=O)NC(Cc1c2c([nH]c1)cccc2)C(=O)O",{"$nulls":4},246.100442308,"?"]
[586,"[O-][N+](=O)OC1COC2C(COC12)O[N+]([O-])=O","87-33-2","O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12","O=[N+]([O-])OC1C2C(OC1)C(O[N+](=O)[O-])CO2",{"$nulls":4},236.02806521600002,"?"]
[587,"COc1c(Cl)cc(Cl)cc1Cl","87-40-1","COc1c(Cl)cc(Cl)cc1Cl","COc1c(cc(cc1Cl)Cl)Cl",{"$nulls":4},209.94059782,"?"]
[588,"Clc1ncnc2nc[nH]c12","87-42-3","Clc1ncnc2nc[nH]c12","Clc1c2c(ncn1)nc[nH]2",{"$nulls":4},154.004623776,"?"]
[589,"CN(C)C(=O)Oc1cc(C)nn1c2ccccc2","87-47-8","Cc1cc(OC(=O)N(C)C)n(-c2ccccc2)n1","Cc1nn(c(c1)OC(=O)N(C)C)-c2ccccc2",{"$nulls":4},245.11642672,"?"]
[590,"OC(=O)Cc1c[nH]c2ccccc12","87-51-4","O=C(O)Cc1c[nH]c2ccccc12","O=C(O)Cc1c2c([nH]c1)cccc2",{"$nulls":4},175.063328528,"?"]
[591,"Clc1cccc(Cl)c1Cl","87-61-6","Clc1cccc(Cl)c1Cl","Clc1c(c(ccc1)Cl)Cl",{"$nulls":4},179.930033136,"?"]
[592,"Cc1cccc(C)c1N","87-62-7","Cc1cccc(C)c1N","Cc1c(c(ccc1)C)N",{"$nulls":4},121.08914935199999,"?"]
[593,"Cc1cccc(Cl)c1O","87-64-9","Cc1cccc(Cl)c1O","Cc1c(c(ccc1)Cl)O",{"$nulls":4},142.018542524,"?"]
[594,"Oc1c(Cl)cccc1Cl","87-65-0","Oc1c(Cl)cccc1Cl","Oc1c(cccc1Cl)Cl",{"$nulls":4},161.963920108,"?"]
[595,"Oc1cccc(O)c1O","87-66-1","Oc1cccc(O)c1O","Oc1c(c(ccc1)O)O",{"$nulls":4},126.031694052,"?"]
[596,"ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl","87-68-3","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl",{"$nulls":4},257.81311608,"?"]
[597,"OC(C(O)C(O)=O)C(O)=O","87-69-4","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",{"$nulls":4},150.01643791200001,"?"]
[598,"OC[CH](O)[CH](O)[CH](O)C(=O)CO","87-79-6","O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO",{"$nulls":4},180.063388104,"?"]
[599,"Brc1c(Br)c(Br)c(Br)c(Br)c1Br","87-82-1","Brc1c(Br)c(Br)c(Br)c(Br)c1Br","Brc1c(c(c(c(c1Br)Br)Br)Br)Br",{"$nulls":4},545.5100226000001,"?"]
[600,"Cc1c(C)c(C)c(C)c(C)c1C","87-85-4","Cc1c(C)c(C)c(C)c(C)c1C","Cc1c(c(c(c(c1C)C)C)C)C",{"$nulls":4},162.140850576,"?"]
[601,"Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","87-86-5","Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},263.847003052,"?"]
[602,"OC1=C(Cl)C(=O)C(=C(Cl)C1=O)O","87-88-7","O=C1C(O)=C(Cl)C(=O)C(O)=C1Cl","O=C1C(=C(C(C(=C1O)Cl)=O)O)Cl",{"$nulls":4},207.933013904,"?"]
[603,"OC1C(O)C(O)C(O)C(O)C1O","87-89-8","OC1C(O)C(O)C(O)C(O)C1O","OC1C(C(C(C(C1O)O)O)O)O",{"$nulls":4},180.063388104,"?"]
[604,"ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O","87-90-1","O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl","O=c1n(c(n(c(n1Cl)=O)Cl)=O)Cl",{"$nulls":4},230.9005239,"?"]
[605,"OC[CH](O)[CH](O)[CH](O)CO","87-99-0","OCC(O)C(O)C(O)CO","OCC(O)C(O)C(O)CO",{"$nulls":4},152.068473484,"?"]
[606,"Cc1cc(O)cc(C)c1Cl","88-04-0","Cc1cc(O)cc(C)c1Cl","Cc1c(c(cc(c1)O)C)Cl",{"$nulls":4},156.034192588,"?"]
[607,"Oc1c(Cl)cc(Cl)cc1Cl","88-06-2","Oc1c(Cl)cc(Cl)cc1Cl","Oc1c(cc(cc1Cl)Cl)Cl",{"$nulls":4},195.924947756,"?"]
[608,"CCC(CC)C(O)=O","88-09-5","CCC(CC)C(=O)O","CCC(CC)C(=O)O",{"$nulls":4},116.083729624,"?"]
[609,"OC(=O)c1cscc1","88-13-1","O=C(O)c1ccsc1","O=C(O)c1cscc1",{"$nulls":4},127.993200368,"?"]
[610,"OC(=O)c1occc1","88-14-2","O=C(O)c1ccco1","O=C(O)c1occc1",{"$nulls":4},112.01604398799999,"?"]
[611,"CC(=O)c1sccc1","88-15-3","CC(=O)c1cccs1","CC(=O)c1sccc1",{"$nulls":4},126.013935812,"?"]
[612,"CC(C)(C)Oc1ccccc1","88-18-6","CC(C)(C)Oc1ccccc1","CC(C)(C)Oc1ccccc1",{"$nulls":4},150.104465068,"?"]
[613,"Cc1ccccc1[S](N)(=O)=O","88-19-7","Cc1ccccc1S(N)(=O)=O","Cc1c(cccc1)S(N)(=O)=O",{"$nulls":4},171.035399528,"?"]
[614,"Oc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O","88-30-2","O=[N+]([O-])c1ccc(O)cc1C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)O)C(F)(F)F",{"$nulls":4},207.014327648,"?"]
[615,"Cc1ccc(N)c(c1)[S](O)(=O)=O","88-44-8","Cc1ccc(N)c(S(=O)(=O)O)c1","Cc1cc(c(cc1)N)S(=O)(=O)O",{"$nulls":4},187.030314148,"?"]
[616,"BrOC(=O)c1ccccc1","88-65-3","O=C(OBr)c1ccccc1","O=C(OBr)c1ccccc1",{"$nulls":4},199.9472915,"?"]
[617,"OC(=O)c1ccccc1I","88-67-5","O=C(O)c1ccccc1I","O=C(O)c1c(cccc1)I",{"$nulls":4},247.9334274,"?"]
[618,"Cc1ccccc1[N+]([O-])=O","88-72-2","Cc1ccccc1[N+](=O)[O-]","Cc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},137.047678464,"?"]
[619,"[O-][N+](=O)c1ccccc1Cl","88-73-3","O=[N+]([O-])c1ccccc1Cl","O=[N+]([O-])c1c(cccc1)Cl",{"$nulls":4},156.993056048,"?"]
[620,"Nc1ccccc1[N+]([O-])=O","88-74-4","Nc1ccccc1[N+](=O)[O-]","Nc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},138.042927432,"?"]
[621,"Oc1ccccc1[N+]([O-])=O","88-75-5","O=[N+]([O-])c1ccccc1O","O=[N+]([O-])c1c(cccc1)O",{"$nulls":4},139.02694302,"?"]
[622,"CCC(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O","88-85-7","CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",{"$nulls":4},240.074621484,"?"]
[623,"[O-][N+](=O)c1cc(c(Cl)c(c1)[N+]([O-])=O)[N+]([O-])=O","88-88-0","O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]",{"$nulls":4},246.963212464,"?"]
[624,"Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","88-89-1","O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]",{"$nulls":4},228.997099436,"?"]
[625,"NC(=O)c1ccccc1C(N)=O","88-96-0","NC(=O)c1ccccc1C(N)=O","NC(=O)c1c(cccc1)C(N)=O",{"$nulls":4},164.058577496,"?"]
[626,"OC(=O)c1ccccc1C(O)=O","88-99-3","O=C(O)c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(=O)O",{"$nulls":4},166.026608672,"?"]
[627,"OC(=O)c1cccnc1C(O)=O","89-00-9","O=C(O)c1cccnc1C(=O)O","O=C(O)c1c(nccc1)C(=O)O",{"$nulls":4},167.02185764,"?"]
[628,"OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(O)=O","89-05-4","O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O","O=C(O)c1c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O",{"$nulls":4},254.00626715200002,"?"]
[629,"NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)cnc2N1","89-38-3","Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)cnc2[nH]1","Nc1[nH]c2c(c(n1)=O)nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cn2",{"$nulls":4},699.2248674960009,"?"]
[630,"COc1ccc(OC)c(c1)[N+]([O-])=O","89-39-4","COc1ccc(OC)c([N+](=O)[O-])c1","COc1cc(c(cc1)OC)[N+](=O)[O-]",{"$nulls":4},183.053157768,"?"]
[631,"OC(=O)Cc1ccccc1C(O)=O","89-51-0","O=C(O)Cc1ccccc1C(=O)O","O=C(O)Cc1c(cccc1)C(=O)O",{"$nulls":4},180.042258736,"?"]
[632,"Cc1ccc(O)c(c1)C(O)=O","89-56-5","Cc1ccc(O)c(C(=O)O)c1","Cc1cc(c(cc1)O)C(=O)O",{"$nulls":4},152.047344116,"?"]
[633,"[O-][N+](=O)c1cc(Cl)ccc1Cl","89-61-2","O=[N+]([O-])c1cc(Cl)ccc1Cl","O=[N+]([O-])c1c(ccc(c1)Cl)Cl",{"$nulls":4},190.954083696,"?"]
[634,"Nc1ccc(Cl)cc1[N+]([O-])=O","89-63-4","Nc1ccc(Cl)cc1[N+](=O)[O-]","Nc1c(cc(cc1)Cl)[N+](=O)[O-]",{"$nulls":4},172.00395508,"?"]
[635,"Oc1ccc(Cl)cc1[N+]([O-])=O","89-64-5","O=[N+]([O-])c1cc(Cl)ccc1O","O=[N+]([O-])c1c(ccc(c1)Cl)O",{"$nulls":4},172.987970668,"?"]
[636,"OCC(O)C1OC(=C(O)C1=O)O","89-65-6","O=C1C(O)=C(O)OC1C(O)CO","O=C1C(OC(=C1O)O)C(O)CO",{"$nulls":4},176.032087976,"?"]
[637,"OCC(O)C(O)C1OC(=O)C(O)C1O","89-67-8","O=C1OC(C(O)C(O)CO)C(O)C1O","O=C1C(C(C(O1)C(O)C(O)CO)O)O",{"$nulls":4},208.05830272400001,"?"]
[638,"CC(C)c1ccc(C)c(Cl)c1O","89-68-9","Cc1ccc(C(C)C)c(O)c1Cl","Cc1c(c(c(cc1)C(C)C)O)Cl",{"$nulls":4},184.065492716,"?"]
[639,"[O-][N+](=O)c1cc(Cl)c(Cl)cc1Cl","89-69-0","O=[N+]([O-])c1cc(Cl)c(Cl)cc1Cl","O=[N+]([O-])c1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},224.915111344,"?"]
[640,"CC(C)C1CCC(C)CC1O","89-78-1","CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O",{"$nulls":4},156.15141526,"?"]
[641,null,"89-80-5",{"$nulls":7},""]
[642,"CC(C)c1ccc(C)cc1O","89-83-8","Cc1ccc(C(C)C)c(O)c1","Cc1cc(c(cc1)C(C)C)O",{"$nulls":4},150.104465068,"?"]
[643,"OC(=O)c1ccc(O)cc1O","89-86-1","O=C(O)c1ccc(O)cc1O","O=C(O)c1c(cc(cc1)O)O",{"$nulls":4},154.026608672,"?"]
[644,"CCOc1ccccc1","90-00-6","CCOc1ccccc1","CCOc1ccccc1",{"$nulls":4},122.07316494,"?"]
[645,"OCc1ccccc1O","90-01-7","OCc1ccccc1O","OCc1c(cccc1)O",{"$nulls":4},124.052429496,"?"]
[646,"Oc1ccccc1C=O","90-02-8","O=Cc1ccccc1O","O=Cc1c(cccc1)O",{"$nulls":4},122.036779432,"?"]
[647,"COc1ccccc1N","90-04-0","COc1ccccc1N","COc1c(cccc1)N",{"$nulls":4},123.068413908,"?"]
[648,"COc1ccccc1O","90-05-1","COc1ccccc1O","COc1c(cccc1)O",{"$nulls":4},124.052429496,"?"]
[649,"Brc1cccc2ccccc12","90-11-9","Brc1cccc2ccccc12","Brc1c2c(ccc1)cccc2",{"$nulls":4},205.973112324,"?"]
[650,"Cc1cccc2ccccc12","90-12-0","Cc1cccc2ccccc12","Cc1c2c(ccc1)cccc2",{"$nulls":4},142.07825032,"?"]
[651,"Clc1cccc2ccccc12","90-13-1","Clc1cccc2ccccc12","Clc1c2c(ccc1)cccc2",{"$nulls":4},162.023627904,"?"]
[652,"Ic1cccc2ccccc12","90-14-2","Ic1cccc2ccccc12","Ic1c2c(ccc1)cccc2",{"$nulls":4},253.959248224,"?"]
[653,"Oc1cccc2ccccc12","90-15-3","Oc1cccc2ccccc12","Oc1c2c(ccc1)cccc2",{"$nulls":4},144.057514876,"?"]
[654,"N(c1ccccc1)c2cccc3ccccc23","90-30-2","c1ccc(Nc2cccc3ccccc23)cc1","c1ccc(cc1)Nc2c3c(ccc2)cccc3",{"$nulls":4},219.104799416,"?"]
[655,"C1CCN2C[CH]3C[CH](CN4CCCC[CH]34)[CH]2C1","90-39-1","C1CCN2CC3CC(CN4CCCCC34)C2C1","C1CC2N(CC1)CC3C4N(CC2C3)CCCC4",{"$nulls":4},234.20959883199998,"?"]
[656,"Oc1ccccc1c2ccccc2","90-43-7","Oc1ccccc1-c1ccccc1","Oc1c(cccc1)-c2ccccc2",{"$nulls":4},170.07316494,"?"]
[657,null,"90-64-2",{"$nulls":7},""]
[658,"COC(=CC(O)=O)C(=O)C(C)=C","90-65-3","C=C(C)C(=O)C(=CC(=O)O)OC","C=C(C)C(=O)C(=CC(=O)O)OC",{"$nulls":4},170.0579088,"?"]
[659,"OCC1OC(=O)C(O)C(O)C1O","90-80-2","O=C1OC(CO)C(O)C(O)C1O","O=C1C(C(C(C(O1)CO)O)O)O",{"$nulls":4},178.04773804,"?"]
[660,"CN(C)C1(CC=C(C=C1)C(=O)c2ccccc2)N(C)C","90-94-8","CN(C)C1(N(C)C)C=CC(C(=O)c2ccccc2)=CC1","CN(C)C1(CC=C(C=C1)C(=O)c2ccccc2)N(C)C",{"$nulls":4},270.1732133240004,"?"]
[661,"OC(c1ccccc1)c2ccccc2","91-01-0","OC(c1ccccc1)c1ccccc1","OC(c1ccccc1)c2ccccc2",{"$nulls":4},184.088815004,"?"]
[662,"COc1cccc(OC)c1O","91-10-1","COc1cccc(OC)c1O","COc1c(c(ccc1)OC)O",{"$nulls":4},154.06299418,"?"]
[663,"N#Cc1ccccc1C#N","91-15-6","N#Cc1ccccc1C#N","N#Cc1c(cccc1)C#N",{"$nulls":4},128.037448128,"?"]
[664,"C1CCC2CCCCC2C1","91-17-8","C1CCC2CCCCC2C1","C1CC2C(CC1)CCCC2",{"$nulls":4},138.140850576,"?"]
[665,"c1cnc2ncncc2n1","91-18-9","c1cnc2ncncc2n1","c1nc2c(nc1)ncnc2",{"$nulls":4},132.043596128,"?"]
[666,"c1ccc2nccnc2c1","91-19-0","c1ccc2nccnc2c1","c1cc2c(cc1)nccn2",{"$nulls":4},130.053098192,"?"]
[667,"c1ccc2ccccc2c1","91-20-3","c1ccc2ccccc2c1","c1cc2c(cc1)cccc2",{"$nulls":4},128.062600256,"?"]
[668,"c1ccc2ncccc2c1","91-22-5","c1ccc2ncccc2c1","c1cc2c(cc1)nccc2",{"$nulls":4},129.057849224,"?"]
[669,"COc1ccccc1[N+]([O-])=O","91-23-6","COc1ccccc1[N+](=O)[O-]","COc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},153.042593084,"?"]
[670,"Cc1ccc2ccccc2c1","91-57-6","Cc1ccc2ccccc2c1","Cc1cc2c(cc1)cccc2",{"$nulls":4},142.07825032,"?"]
[671,"Clc1ccc2ccccc2c1","91-58-7","Clc1ccc2ccccc2c1","Clc1cc2c(cc1)cccc2",{"$nulls":4},162.023627904,"?"]
[672,"Nc1ccc2ccccc2c1","91-59-8","Nc1ccc2ccccc2c1","Nc1cc2c(cc1)cccc2",{"$nulls":4},143.073499288,"?"]
[673,"O=C1Oc2ccccc2C=C1","91-64-5","O=c1ccc2ccccc2o1","O=c1oc2c(cc1)cccc2",{"$nulls":4},146.036779432,"?"]
[674,"CCN(CC)c1ccccc1","91-66-7","CCN(CC)c1ccccc1","CCN(CC)c1ccccc1",{"$nulls":4},149.12044948,"?"]
[675,"C1CN=C(CN(Cc2ccccc2)c3ccccc3)N1","91-75-8","c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1","c1ccc(cc1)CN(CC=2NCCN2)c3ccccc3",{"$nulls":4},265.15789760800027,"?"]
[676,"Nc1nc(N)nc(n1)c2ccccc2","91-76-9","Nc1nc(N)nc(-c2ccccc2)n1","Nc1nc(nc(n1)N)-c2ccccc2",{"$nulls":4},187.08579528799999,"?"]
[677,"CN(C)CCN(Cc1cscc1)c2ccccn2","91-79-2","CN(C)CCN(Cc1ccsc1)c1ccccn1","CN(C)CCN(Cc1cscc1)c2ncccc2",{"$nulls":4},261.1299686080001,"?"]
[678,"CN(C)CCN(Cc1sccc1)c2ccccn2","91-80-5","CN(C)CCN(Cc1cccs1)c1ccccn1","CN(C)CCN(Cc1sccc1)c2ncccc2",{"$nulls":4},261.1299686080001,"?"]
[679,"CN(C)CCN(Cc1ccccc1)c2ccccn2","91-81-6","CN(C)CCN(Cc1ccccc1)c1ccccn1","CN(C)CCN(Cc1ccccc1)c2ncccc2",{"$nulls":4},255.17354767199998,"?"]
[680,"Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2","91-94-1","Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl","Nc1c(cc(cc1)-c2cc(c(cc2)N)Cl)Cl",{"$nulls":4},252.02210368,"?"]
[681,"Oc1ccc(cc1O)c2ccccc2","92-05-7","Oc1ccc(-c2ccccc2)cc1O","Oc1c(cc(cc1)-c2ccccc2)O",{"$nulls":4},186.06807956,"?"]
[682,"c1ccc(cc1)c2cccc(c2)c3ccccc3","92-06-8","c1ccc(-c2cccc(-c3ccccc3)c2)cc1","c1ccc(cc1)-c2cc(ccc2)-c3ccccc3",{"$nulls":4},230.109550448,"?"]
[683,"c1ccc2cc3cc4ccccc4cc3cc2c1","92-24-0","c1ccc2cc3cc4ccccc4cc3cc2c1","c1cc2c(cc1)cc3c(cc4c(c3)cccc4)c2",{"$nulls":4},228.093900384,"?"]
[684,"[Cl-].CN(C)c1ccc2nc3cc(C)c(N)cc3[s+]c2c1","92-31-9","Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N","Cc1c(cc2c(c1)nc3c(cc(cc3)N(C)C)[s+]2)N","[Cl-]",{"$nulls":3},305.0753461920004,"?"]
[685,"Oc1cc2ccccc2cc1O","92-44-4","Oc1cc2ccccc2cc1O","Oc1c(cc2c(c1)cccc2)O",{"$nulls":4},160.052429496,"?"]
[686,"CCN(CCO)c1ccccc1","92-50-2","CCN(CCO)c1ccccc1","CCN(CCO)c1ccccc1",{"$nulls":4},165.1153641,"?"]
[687,"c1ccc(cc1)c2ccccc2","92-52-4","c1ccc(-c2ccccc2)cc1","c1ccc(cc1)-c2ccccc2",{"$nulls":4},154.07825032,"?"]
[688,"Nc1ccc2cc3ccc(N)cc3nc2c1","92-62-6","Nc1ccc2cc3ccc(N)cc3nc2c1","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2",{"$nulls":4},209.095297352,"?"]
[689,"Brc1ccc(cc1)c2ccccc2","92-66-0","Brc1ccc(-c2ccccc2)cc1","Brc1ccc(cc1)-c2ccccc2",{"$nulls":4},231.988762388,"?"]
[690,"Oc1ccc(cc1)c2ccccc2","92-69-3","Oc1ccc(-c2ccccc2)cc1","Oc1ccc(cc1)-c2ccccc2",{"$nulls":4},170.07316494,"?"]
[691,"N1c2ccccc2Sc3ccccc13","92-84-2","c1ccc2c(c1)Nc1ccccc1S2","c1cc2c(cc1)Sc3c(N2)cccc3",{"$nulls":4},199.045570288,"?"]
[692,"Nc1ccc(cc1)c2ccc(N)cc2","92-87-5","Nc1ccc(-c2ccc(N)cc2)cc1","Nc1ccc(cc1)-c2ccc(cc2)N",{"$nulls":4},184.100048384,"?"]
[693,"CC(=O)c1ccc(cc1)c2ccccc2","92-91-1","CC(=O)c1ccc(-c2ccccc2)cc1","CC(=O)c1ccc(cc1)-c2ccccc2",{"$nulls":4},196.088815004,"?"]
[694,"[O-][N+](=O)c1ccc(cc1)c2ccccc2","92-93-3","O=[N+]([O-])c1ccc(-c2ccccc2)cc1","O=[N+]([O-])c1ccc(cc1)-c2ccccc2",{"$nulls":4},199.063328528,"?"]
[695,"c1ccc(cc1)c2ccc(cc2)c3ccccc3","92-94-4","c1ccc(-c2ccc(-c3ccccc3)cc2)cc1","c1ccc(cc1)-c2ccc(cc2)-c3ccccc3",{"$nulls":4},230.109550448,"?"]
[696,"COc1ccc(OC)c(C=O)c1","93-02-7","COc1ccc(OC)c(C=O)c1","COc1cc(c(cc1)OC)C=O",{"$nulls":4},166.06299418,"?"]
[697,"COc1ccc(cc1OC)C(O)=O","93-07-2","COc1ccc(C(=O)O)cc1OC","COc1c(cc(cc1)C(=O)O)OC",{"$nulls":4},182.0579088,"?"]
[698,"CC(=O)c1ccc2ccccc2c1","93-08-3","CC(=O)c1ccc2ccccc2c1","CC(=O)c1cc2c(cc1)cccc2",{"$nulls":4},170.07316494,"?"]
[699,"OC(=O)c1ccc2ccccc2c1","93-09-4","O=C(O)c1ccc2ccccc2c1","O=C(O)c1cc2c(cc1)cccc2",{"$nulls":4},172.052429496,"?"]
[700,"OC(=O)c1ccc2ccccc2n1","93-10-7","O=C(O)c1ccc2ccccc2n1","O=C(O)c1nc2c(cc1)cccc2",{"$nulls":4},173.047678464,"?"]
[701,"COc1ccccc1OCC(O)CO","93-14-1","COc1ccccc1OCC(O)CO","COc1c(cccc1)OCC(O)CO",{"$nulls":4},198.089208928,"?"]
[702,"COc1ccc(CC=C)cc1OC","93-15-2","C=CCc1ccc(OC)c(OC)c1","C=CCc1cc(c(cc1)OC)OC",{"$nulls":4},178.099379688,"?"]
[703,"Cc1ccc2ccc(C)nc2c1","93-37-8","Cc1ccc2ccc(C)nc2c1","Cc1cc2c(cc1)ccc(C)n2",{"$nulls":4},157.089149352,"?"]
[704,"CCC(=O)c1ccccc1","93-55-0","CCC(=O)c1ccccc1","CCC(=O)c1ccccc1",{"$nulls":4},134.07316494,"?"]
[705,"COC(=O)c1ccccc1","93-58-3","COC(=O)c1ccccc1","COC(=O)c1ccccc1",{"$nulls":4},136.052429496,"?"]
[706,"COC(=O)c1cccnc1","93-60-7",null,null,"COC(=O)c1cccnc1",{"$nulls":3},594.8325853720003,"?"]
[707,"CC(Oc1ccc(Cl)cc1C)C(O)=O","93-65-2","Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",{"$nulls":4},214.039671892,"?"]
[708,"ClCC(=O)N(CC=C)CC=C","93-71-0","C=CCN(CC=C)C(=O)CCl","C=CCN(CC=C)C(=O)CCl",{"$nulls":4},173.060741684,"?"]
[709,"CC(Oc1cc(Cl)c(Cl)cc1Cl)C(O)=O","93-72-1","CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O",{"$nulls":4},267.94607712400017,"?"]
[710,"OC(=O)COc1cc(Cl)c(Cl)cc1Cl","93-76-5","O=C(O)COc1cc(Cl)c(Cl)cc1Cl","O=C(O)COc1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},253.93042705999997,"?"]
[711,"OC(=O)CCCOc1cc(Cl)c(Cl)cc1Cl","93-80-1","O=C(O)CCCOc1cc(Cl)c(Cl)cc1Cl","O=C(O)CCCOc1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},281.9617271880003,"?"]
[712,null,"93-88-9",{"$nulls":7},""]
[713,"CCOC(=O)c1ccccc1","93-89-0","CCOC(=O)c1ccccc1","CCOC(=O)c1ccccc1",{"$nulls":4},150.06807956,"?"]
[714,"CC(=O)CC(=O)c1ccccc1","93-91-4","CC(=O)CC(=O)c1ccccc1","CC(=O)CC(=O)c1ccccc1",{"$nulls":4},162.06807956,"?"]
[715,"O=C(OC(=O)c1ccccc1)c2ccccc2","93-97-0","O=C(OC(=O)c1ccccc1)c1ccccc1","O=C(OC(=O)c1ccccc1)c2ccccc2",{"$nulls":4},226.06299417999998,"?"]
[716,"CCOC(=O)c1ccc(N)cc1","94-09-7","CCOC(=O)c1ccc(N)cc1","CCOC(=O)c1ccc(cc1)N",{"$nulls":4},165.078978592,"?"]
[717,"CC(C)OC(=O)COc1ccc(Cl)cc1Cl","94-11-1","CC(C)OC(=O)COc1ccc(Cl)cc1Cl","CC(C)OC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},262.01634960400014,"?"]
[718,"CCCOC(=O)c1ccc(N)cc1","94-12-2","CCCOC(=O)c1ccc(N)cc1","CCCOC(=O)c1ccc(cc1)N",{"$nulls":4},179.094628656,"?"]
[719,null,"94-13-3",{"$nulls":7},""]
[720,"CC(C)COC(=O)c1ccc(N)cc1","94-14-4","CC(C)COC(=O)c1ccc(N)cc1","CC(C)COC(=O)c1ccc(cc1)N",{"$nulls":4},193.11027872,"?"]
[721,"CCc1sc(N[S](=O)(=O)c2ccc(N)cc2)nn1","94-19-9","CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},284.0401676240004,"?"]
[722,"CCCNC(=O)N[S](=O)(=O)c1ccc(Cl)cc1","94-20-2","CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1","CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl",{"$nulls":4},276.03354095600037,"?"]
[723,"CCOc1ccc(cc1)C(=O)OCCN(CC)CC","94-23-5","CCOc1ccc(C(=O)OCCN(CC)CC)cc1","CCOc1ccc(cc1)C(=O)OCCN(CC)CC",{"$nulls":4},265.16779359600025,"?"]
[724,null,"94-25-7",{"$nulls":7},""]
[725,null,"94-26-8",{"$nulls":7},""]
[726,"O=C(OOC(=O)c1ccccc1)c2ccccc2","94-36-0","O=C(OOC(=O)c1ccccc1)c1ccccc1","O=C(OOC(=O)c1ccccc1)c2ccccc2",{"$nulls":4},242.0579088,"?"]
[727,"O=C(C=CC=Cc1ccc2OCOc2c1)N3CCCCC3","94-62-2","O=C(C=CC=Cc1ccc2c(c1)OCO2)N1CCCCC1","O=C(C=CC=Cc1cc2c(cc1)OCO2)N3CCCCC3",{"$nulls":4},285.13649346800054,"?"]
[728,"[I-].CN1C=CC=CC1=C[NH+]=O","94-63-3","CN1C=CC=CC1=C[NH+]=O","CN1C=CC=CC1=C[NH+]=O","[I-]",{"$nulls":3},263.975960908,"Errors in neutralization"]
[729,"Cc1cc(Cl)ccc1OCC(O)=O","94-74-6","Cc1cc(Cl)ccc1OCC(=O)O","Cc1c(ccc(c1)Cl)OCC(=O)O",{"$nulls":4},200.024021828,"?"]
[730,"OC(=O)COc1ccc(Cl)cc1Cl","94-75-7","O=C(O)COc1ccc(Cl)cc1Cl","O=C(O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},219.96939941199997,"?"]
[731,"Oc1ccc(CCc2ccccc2)c(O)c1","94-77-9","Oc1ccc(CCc2ccccc2)c(O)c1","Oc1cc(c(cc1)CCc2ccccc2)O",{"$nulls":4},214.099379688,"?"]
[732,null,"94-80-4",{"$nulls":7},""]
[733,"Cc1cc(Cl)ccc1OCCCC(O)=O","94-81-5","Cc1cc(Cl)ccc1OCCCC(=O)O","Cc1c(ccc(c1)Cl)OCCCC(=O)O",{"$nulls":4},228.055321956,"?"]
[734,"OC(=O)CCCOc1ccc(Cl)cc1Cl","94-82-6","O=C(O)CCCOc1ccc(Cl)cc1Cl","O=C(O)CCCOc1c(cc(cc1)Cl)Cl",{"$nulls":4},248.00069954,"?"]
[735,"Clc1ccc(OCCOC(=O)c2ccccc2)c(Cl)c1","94-83-7","O=C(OCCOc1ccc(Cl)cc1Cl)c1ccccc1","O=C(OCCOc1c(cc(cc1)Cl)Cl)c2ccccc2",{"$nulls":4},310.0163496040003,"?"]
[736,"CCCC(O)C(CC)CO","94-96-2","CCCC(O)C(CC)CO","CCCC(O)C(CC)CO",{"$nulls":4},146.130679816,"?"]
[737,"CCN(CC)C(=S)SCC(Cl)=C","95-06-7","C=C(Cl)CSC(=S)N(CC)CC","C=C(Cl)CSC(=S)N(CC)CC",{"$nulls":4},223.025619128,"?"]
[738,"CCC(CC)C(O)=O.CCC(CC)C(O)=O.OCCOCCOCCO","95-08-9","OCCOCCOCCO","OCCOCCOCCO","CCC(CC)C(O)=O","CCC(CC)C(O)=O",null,null,382.256668176,"?"]
[739,"[nH]1nnc2ccccc12","95-14-7","c1ccc2[nH]nnc2c1","c1cc2c(cc1)[nH]nn2",{"$nulls":4},119.04834715999999,"?"]
[740,"s1ccc2ccccc12","95-15-8","c1ccc2sccc2c1","c1cc2c(cc1)scc2",{"$nulls":4},134.019021192,"?"]
[741,"s1cnc2ccccc12","95-16-9","c1ccc2scnc2c1","c1cc2c(cc1)scn2",{"$nulls":4},135.01427016,"?"]
[742,"CON=C(C)C=NO","95-45-4","CON=C(C)C=NO","CON=C(C)C=NO",{"$nulls":4},116.058577496,"?"]
[743,"Cc1ccccc1C","95-47-6","Cc1ccccc1C","Cc1c(cccc1)C",{"$nulls":4},106.07825032,"?"]
[744,"Cc1ccccc1O","95-48-7","Cc1ccccc1O","Cc1c(cccc1)O",{"$nulls":4},108.057514876,"?"]
[745,"Cc1ccccc1Cl","95-49-8","Cc1ccccc1Cl","Cc1c(cccc1)Cl",{"$nulls":4},126.023627904,"?"]
[746,"Clc1ccccc1Cl","95-50-1","Clc1ccccc1Cl","Clc1c(cccc1)Cl",{"$nulls":4},145.969005488,"?"]
[747,"Nc1ccccc1Cl","95-51-2","Nc1ccccc1Cl","Nc1c(cccc1)Cl",{"$nulls":4},127.01887687199999,"?"]
[748,"Cc1ccccc1N","95-53-4","Cc1ccccc1N","Cc1c(cccc1)N",{"$nulls":4},107.073499288,"?"]
[749,"Nc1ccccc1N","95-54-5","Nc1ccccc1N","Nc1c(cccc1)N",{"$nulls":4},108.06874825599999,"?"]
[750,"NOc1ccccc1","95-55-6","NOc1ccccc1","NOc1ccccc1",{"$nulls":4},109.052763844,"?"]
[751,"Oc1ccccc1Cl","95-57-8","Oc1ccccc1Cl","Oc1c(cccc1)Cl",{"$nulls":4},128.00289246,"?"]
[752,"Cc1ccc(C)c(C)c1","95-63-6","Cc1ccc(C)c(C)c1","Cc1cc(c(cc1)C)C",{"$nulls":4},120.093900384,"?"]
[753,"Cc1ccc(N)cc1C","95-64-7","Cc1ccc(N)cc1C","Cc1c(cc(cc1)N)C",{"$nulls":4},121.08914935199999,"?"]
[754,"Cc1ccc(O)cc1C","95-65-8","Cc1ccc(O)cc1C","Cc1c(cc(cc1)O)C",{"$nulls":4},122.07316494,"?"]
[755,"Cc1ccc(Cl)c(Cl)c1","95-75-0","Cc1ccc(Cl)c(Cl)c1","Cc1cc(c(cc1)Cl)Cl",{"$nulls":4},159.984655552,"?"]
[756,"Nc1ccc(Cl)c(Cl)c1","95-76-1","Nc1ccc(Cl)c(Cl)c1","Nc1cc(c(cc1)Cl)Cl",{"$nulls":4},160.97990452,"?"]
[757,"Oc1ccc(Cl)c(Cl)c1","95-77-2","Oc1ccc(Cl)c(Cl)c1","Oc1cc(c(cc1)Cl)Cl",{"$nulls":4},161.963920108,"?"]
[758,"Cc1ccc(C)c(N)c1","95-78-3","Cc1ccc(C)c(N)c1","Cc1cc(c(cc1)C)N",{"$nulls":4},121.08914935199999,"?"]
[759,"Cc1ccc(C)c(O)c1","95-87-4","Cc1ccc(C)c(O)c1","Cc1cc(c(cc1)C)O",{"$nulls":4},122.07316494,"?"]
[760,"CCOC(=O)C([O-])=O","95-92-1","CCOC(=O)C(=O)[O-]","CCOC(=O)C(=O)O",{"$nulls":4},117.01878364000001,"Structure has been neutralized"]
[761,"Cc1cc(C)c(C)cc1C","95-93-2","Cc1cc(C)c(C)cc1C","Cc1c(cc(c(c1)C)C)C",{"$nulls":4},134.109550448,"?"]
[762,"Clc1cc(Cl)c(Cl)cc1Cl","95-94-3","Clc1cc(Cl)c(Cl)cc1Cl","Clc1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},213.891060784,"?"]
[763,"Oc1cc(Cl)c(Cl)cc1Cl","95-95-4","Oc1cc(Cl)c(Cl)cc1Cl","Oc1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},195.924947756,"?"]
[764,"C1OC1c2ccccc2","96-09-3","c1ccc(C2CO2)cc1","c1ccc(cc1)C2OC2",{"$nulls":4},120.057514876,"?"]
[765,"ClCC(Br)CBr","96-12-8","ClCC(Br)CBr","ClCC(Br)CBr",{"$nulls":4},233.84465204,"?"]
[766,"OCC(Br)CBr","96-13-9","OCC(Br)CBr","OCC(Br)CBr",{"$nulls":4},215.878539012,"?"]
[767,"CCC(C)CC","96-14-0","CCC(C)CC","CCC(C)CC",{"$nulls":4},86.109550448,"?"]
[768,"ClCC(Cl)CCl","96-18-4","ClCC(Cl)CCl","ClCC(Cl)CCl",{"$nulls":4},145.9456832,"?"]
[769,"CCC(N)CO","96-20-8","CCC(N)CO","CCC(N)CO",{"$nulls":4},89.084063972,"?"]
[770,"CCC(=O)CC","96-22-0","CCC(=O)CC","CCC(=O)CC",{"$nulls":4},86.07316494,"?"]
[771,"OC(CCl)CCl","96-23-1","OC(CCl)CCl","OC(CCl)CCl",{"$nulls":4},127.979570172,"?"]
[772,"OCC(O)CCl","96-24-2","OCC(O)CCl","OCC(O)CCl",{"$nulls":4},110.013457144,"?"]
[773,"CCC(C)=NO","96-29-7","CCC(C)=NO","CCC(C)=NO",{"$nulls":4},87.068413908,"?"]
[774,"COC(=O)C=C","96-33-3","C=CC(=O)OC","C=CC(=O)OC",{"$nulls":4},86.036779432,"?"]
[775,"COC(=O)CCl","96-34-4","COC(=O)CCl","COC(=O)CCl",{"$nulls":4},107.99780708,"?"]
[776,"CC1CCCC1","96-37-7","CC1CCCC1","CC1CCCC1",{"$nulls":4},84.093900384,"?"]
[777,"S=C1NCCN1","96-45-7","S=C1NCCN1","S=C1NCCN1",{"$nulls":4},102.02516919199999,"?"]
[778,"CC1CCCO1","96-47-9","CC1CCCO1","CC1OCCC1",{"$nulls":4},86.07316494,"?"]
[779,"O=C1CCCO1","96-48-0","O=C1CCCO1","O=C1OCCC1",{"$nulls":4},86.036779432,"?"]
[780,"O=C1OCCO1","96-49-1","O=C1OCCO1","O=C1OCCO1",{"$nulls":4},88.016043988,"?"]
[781,"CC(O[P](C)(F)=O)C(C)(C)C","96-64-0","CC(OP(C)(=O)F)C(C)(C)C","CC(OP(C)(=O)F)C(C)(C)C",{"$nulls":4},182.087194602,"?"]
[782,"CC(C)(C)c1ccc(O)c(c1)C(C)(C)C","96-76-4","CC(C)(C)c1ccc(O)c(C(C)(C)C)c1","CC(C)(C)c1cc(c(cc1)O)C(C)(C)C",{"$nulls":4},206.167065324,"?"]
[783,"CC(C)N(CCO)C(C)C","96-80-0","CC(C)N(CCO)C(C)C","CC(C)N(CCO)C(C)C",{"$nulls":4},145.146664228,"?"]
[784,"CC(C)[CH](NC(C)=O)C(O)=O","96-81-1","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C",{"$nulls":4},159.089543276,"?"]
[785,"CCC(Cc1c(I)cc(I)c(N)c1I)C(O)=O","96-83-3","CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O","CCC(Cc1c(c(c(cc1I)I)N)I)C(=O)O",{"$nulls":4},570.8002226240004,"?"]
[786,"Cc1cccc(C)c1NC(=O)C2CCCCN2","96-88-8","Cc1cccc(C)c1NC(=O)C1CCCCN1","Cc1c(c(ccc1)C)NC(=O)C2NCCCC2",{"$nulls":4},232.15756326,"?"]
[787,"Nc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O","96-91-3","Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","Nc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",{"$nulls":4},199.02292026,"?"]
[788,"COc1ccc(N)c(c1)[N+]([O-])=O","96-96-8","COc1ccc(N)c([N+](=O)[O-])c1","COc1cc(c(cc1)N)[N+](=O)[O-]",{"$nulls":4},168.053492116,"?"]
[789,"OC(=O)c1cc(ccc1O)[N+]([O-])=O","96-97-9","O=C(O)c1cc([N+](=O)[O-])ccc1O","O=C(O)c1c(ccc(c1)[N+](=O)[O-])O",{"$nulls":4},183.01677226,"?"]
[790,"[O-][N+](=O)c1ccc(Cl)c(c1)[N+]([O-])=O","97-00-7","O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)Cl)[N+](=O)[O-]",{"$nulls":4},201.978134256,"?"]
[791,"CCO[P](=S)(OCC)Oc1ccc(Cl)cc1Cl","97-17-6","CCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl","CCOP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl",{"$nulls":4},313.9700072660003,"?"]
[792,null,"97-18-7",{"$nulls":7},""]
[793,null,"97-23-4",{"$nulls":7},""]
[794,"CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O","97-30-3","COC1OC(CO)C(O)C(O)C1O","COC1C(C(C(C(O1)CO)O)O)O",{"$nulls":4},194.079038168,"?"]
[795,"COc1cc(CC=C)ccc1O","97-53-0","C=CCc1ccc(O)c(OC)c1","C=CCc1cc(c(cc1)O)OC",{"$nulls":4},164.083729624,"?"]
[796,"CC1C=CC=CC1(N)N=Nc2ccccc2C","97-56-3","Cc1ccccc1N=NC1(N)C=CC=CC1C","Cc1c(cccc1)N=NC2(C(C=CC=C2)C)N",{"$nulls":4},227.14224754399999,"?"]
[797,"NC(=O)NC1NC(=O)NC1=O","97-59-6","NC(=O)NC1NC(=O)NC1=O","NC(=O)NC1C(NC(N1)=O)=O",{"$nulls":4},158.043990052,"?"]
[798,"CCCC(C)C(O)=O","97-61-0","CCCC(C)C(=O)O","CCCC(C)C(=O)O",{"$nulls":4},116.083729624,"?"]
[799,"CCOC(=O)C(C)=C","97-63-2","C=C(C)C(=O)OCC","C=C(C)C(=O)OCC",{"$nulls":4},114.06807956,"?"]
[800,"CCOC(=O)C(C)O","97-64-3","CCOC(=O)C(C)O","CCOC(=O)C(C)O",{"$nulls":4},118.06299418,"?"]
[801,"OC(=O)CC(=C)C(O)=O","97-65-4","C=C(CC(=O)O)C(=O)O","C=C(CC(=O)O)C(=O)O",{"$nulls":4},130.026608672,"?"]
[802,"CC(C)COC(=O)C(C)C","97-85-8","CC(C)COC(=O)C(C)C","CC(C)COC(=O)C(C)C",{"$nulls":4},144.115029752,"?"]
[803,null,"97-86-9",{"$nulls":7},""]
[804,null,"97-88-1",{"$nulls":7},""]
[805,"CCC(CC)CO","97-95-0","CCC(CC)CO","CCC(CC)CO",{"$nulls":4},102.104465068,"?"]
[806,"OCC1CCCO1","97-99-4","OCC1CCCO1","OCC1OCCC1",{"$nulls":4},102.06807956,"?"]
[807,"OCc1occc1","98-00-0","OCc1ccco1","OCc1occc1",{"$nulls":4},98.036779432,"?"]
[808,null,"98-01-1",{"$nulls":7},""]
[809,"CC(C)(C)c1ccccc1","98-06-6","CC(C)(C)c1ccccc1","CC(C)(C)c1ccccc1",{"$nulls":4},134.109550448,"?"]
[810,"ClC(Cl)(Cl)c1ccccc1","98-07-7","ClC(Cl)(Cl)c1ccccc1","ClC(Cl)(Cl)c1ccccc1",{"$nulls":4},193.9456832,"?"]
[811,"FC(F)(F)c1ccccc1","98-08-8","FC(F)(F)c1ccccc1","FC(F)(F)c1ccccc1",{"$nulls":4},146.03433482,"?"]
[812,"N[S](=O)(=O)c1ccccc1","98-10-2","NS(=O)(=O)c1ccccc1","NS(=O)(=O)c1ccccc1",{"$nulls":4},157.019749464,"?"]
[813,"Nc1cccc(c1)C(F)(F)F","98-16-8","Nc1cccc(C(F)(F)F)c1","Nc1cc(ccc1)C(F)(F)F",{"$nulls":4},161.045233852,"?"]
[814,"CC(C)(C)c1ccc(O)c(O)c1","98-29-3","CC(C)(C)c1ccc(O)c(O)c1","CC(C)(C)c1cc(c(cc1)O)O",{"$nulls":4},166.099379688,"?"]
[815,"Nc1cc(ccc1O)[S](O)(=O)=O","98-37-3","Nc1cc(S(=O)(=O)O)ccc1O","Nc1c(ccc(c1)S(=O)(=O)O)O",{"$nulls":4},189.009578704,"?"]
[816,"COc1ccc(cc1N)[S](O)(=O)=O","98-42-0","COc1ccc(S(=O)(=O)O)cc1N","COc1c(cc(cc1)S(=O)(=O)O)N",{"$nulls":4},203.025228768,"?"]
[817,"Nc1cc(ccc1C(O)=O)[S](O)(=O)=O","98-43-1","Nc1cc(S(=O)(=O)O)ccc1C(=O)O","Nc1c(ccc(c1)S(=O)(=O)O)C(=O)O",{"$nulls":4},217.004493324,"?"]
[818,"CC(C)(C)C1CCC(O)CC1","98-52-2","CC(C)(C)C1CCC(O)CC1","CC(C)(C)C1CCC(CC1)O",{"$nulls":4},156.15141526,"?"]
[819,null,"98-54-4",{"$nulls":7},""]
[820,"CC1=CCC(CC1)C(C)(C)O","98-55-5","CC1=CCC(C(C)(C)O)CC1","CC=1CCC(CC1)C(C)(C)O",{"$nulls":4},154.135765196,"?"]
[821,"Cl[S](=O)(=O)c1ccc(I)cc1","98-61-3","O=S(=O)(Cl)c1ccc(I)cc1","O=S(=O)(Cl)c1ccc(cc1)I",{"$nulls":4},301.8665260480001,"?"]
[822,"CC(C)(C)c1ccc(cc1)C(O)=O","98-73-7","CC(C)(C)c1ccc(C(=O)O)cc1","CC(C)(C)c1ccc(cc1)C(=O)O",{"$nulls":4},178.099379688,"?"]
[823,"OC(=O)[CH]1CCC(=O)N1","98-79-3","O=C1CCC(C(=O)O)N1","O=C1NC(CC1)C(=O)O",{"$nulls":4},129.042593084,"?"]
[824,"CC(C)c1ccccc1","98-82-8","CC(C)c1ccccc1","CC(C)c1ccccc1",{"$nulls":4},120.093900384,"?"]
[825,"CC(=C)c1ccccc1","98-83-9","C=C(C)c1ccccc1","C=C(C)c1ccccc1",{"$nulls":4},118.07825032,"?"]
[826,"CC(N)c1ccccc1","98-84-0","CC(N)c1ccccc1","CC(N)c1ccccc1",{"$nulls":4},121.08914935199999,"?"]
[827,"CC(O)c1ccccc1","98-85-1","CC(O)c1ccccc1","CC(O)c1ccccc1",{"$nulls":4},122.07316494,"?"]
[828,"CC(=O)c1ccccc1","98-86-2","CC(=O)c1ccccc1","CC(=O)c1ccccc1",{"$nulls":4},120.057514876,"?"]
[829,"ClC(Cl)c1ccccc1","98-87-3","ClC(Cl)c1ccccc1","ClC(Cl)c1ccccc1",{"$nulls":4},159.984655552,"?"]
[830,"OC(=O)C1CCCCC1","98-89-5","O=C(O)C1CCCCC1","O=C(O)C1CCCCC1",{"$nulls":4},128.083729624,"?"]
[831,"NC(=O)c1cccnc1","98-92-0","NC(=O)c1cccnc1","NC(=O)c1cnccc1",{"$nulls":4},122.048012812,"?"]
[832,"[O-][N+](=O)c1ccccc1","98-95-3","O=[N+]([O-])c1ccccc1","O=[N+]([O-])c1ccccc1",{"$nulls":4},123.0320284,"?"]
[833,"NC(=O)c1cnccn1","98-96-4","NC(=O)c1cnccn1","NC(=O)c1nccnc1",{"$nulls":4},123.04326178,"?"]
[834,"OC(=O)c1ccccn1","98-98-6","O=C(O)c1ccccn1","O=C(O)c1ncccc1",{"$nulls":4},123.0320284,"?"]
[835,"Cc1cccc(c1)C(O)=O","99-04-7","Cc1cccc(C(=O)O)c1","Cc1cc(ccc1)C(=O)O",{"$nulls":4},136.052429496,"?"]
[836,"Nc1cccc(c1)C(O)=O","99-05-8","Nc1cccc(C(=O)O)c1","Nc1cc(ccc1)C(=O)O",{"$nulls":4},137.047678464,"?"]
[837,"OC(=O)c1cccc(O)c1","99-06-9","O=C(O)c1cccc(O)c1","O=C(O)c1cc(ccc1)O",{"$nulls":4},138.031694052,"?"]
[838,"Cc1cccc(c1)[N+]([O-])=O","99-08-1","Cc1cccc([N+](=O)[O-])c1","Cc1cc(ccc1)[N+](=O)[O-]",{"$nulls":4},137.047678464,"?"]
[839,"Nc1cccc(c1)[N+]([O-])=O","99-09-2","Nc1cccc([N+](=O)[O-])c1","Nc1cc(ccc1)[N+](=O)[O-]",{"$nulls":4},138.042927432,"?"]
[840,"OC(=O)CC(CC(O)=O)C(O)=O","99-14-9","O=C(O)CC(CC(=O)O)C(=O)O","O=C(O)CC(CC(=O)O)C(=O)O",{"$nulls":4},176.032087976,"?"]
[841,"OCc1ccccc1O[CH]2O[CH](COC(=O)c3ccccc3)[CH](O)[CH](O)[CH]2O","99-17-2","O=C(OCC1OC(Oc2ccccc2CO)C(O)C(O)C1O)c1ccccc1","O=C(OCC1C(C(C(C(O1)Oc2c(cccc2)CO)O)O)O)c3ccccc3",{"$nulls":4},390.1314676640006,"?"]
[842,"COC(=O)c1cc(O)c(O)c(O)c1","99-24-1","COC(=O)c1cc(O)c(O)c(O)c1","COC(=O)c1cc(c(c(c1)O)O)O",{"$nulls":4},184.037173356,"?"]
[843,"Nc1c(Cl)cc(cc1Cl)[N+]([O-])=O","99-30-9","Nc1c(Cl)cc([N+](=O)[O-])cc1Cl","Nc1c(cc(cc1Cl)[N+](=O)[O-])Cl",{"$nulls":4},205.964982728,"?"]
[844,"OC(=O)C1=CC(=O)C=C(O1)C(O)=O","99-32-1","O=C(O)c1cc(=O)cc(C(=O)O)o1","O=C(O)c1oc(cc(c1)=O)C(=O)O",{"$nulls":4},184.00078784800002,"?"]
[845,"OC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O","99-34-3","O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1","O=C(O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},212.006935848,"?"]
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[1277,"FC1(F)C(F)(F)C(F)(F)C1(F)F","115-25-3","FC1(F)C(F)(F)C(F)(F)C1(F)F","FC1(C(C(C1(F)F)(F)F)(F)F)F",{"$nulls":4},199.98722576,"?"]
[1278,"CN(C)[P](F)(=O)N(C)C","115-26-4","CN(C)P(=O)(F)N(C)C","CN(C)P(=O)(F)N(C)C",{"$nulls":4},154.06712785399998,"?"]
[1279,"OC(=O)C1C(C(O)=O)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl","115-28-6","O=C(O)C1C(C(=O)O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl","O=C(O)C1C2(C(=C(C(C1C(=O)O)(C2(Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},385.8240746880001,"?"]
[1280,"ClC1=C(Cl)C2(Cl)C3CO[S](=O)OCC3C1(Cl)C2(Cl)Cl","115-29-7","O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},403.81688113200016,"?"]
[1281,"OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl","115-32-2","OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl","OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C(Cl)(Cl)Cl",{"$nulls":4},367.9096033080002,"?"]
[1282,"COC1=CC=C2[CH]3Cc4ccc(OC)c5O[CH]1[C]2(CCN3C)c45","115-37-7","COC1=CC=C2C3Cc4ccc(OC)c5c4C2(CCN3C)C1O5","COC=1C2C34C(=CC1)C(N(CC3)C)Cc5c4c(c(cc5)OC)O2",{"$nulls":4},311.1521435320006,"?"]
[1283,"C=CCC1(C(=O)NC(=O)NC1=O)c2ccccc2","115-43-5","C=CCC1(c2ccccc2)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)c2ccccc2",{"$nulls":4},244.084792244,"?"]
[1284,null,"115-58-2",{"$nulls":7},""]
[1285,"CC(C)(N)C(O)O","115-69-5","CC(C)(N)C(O)O","CC(C)(N)C(O)O",{"$nulls":4},105.078978592,"?"]
[1286,"CCC(N)(CO)CO","115-70-8","CCC(N)(CO)CO","CCC(N)(CO)CO",{"$nulls":4},119.094628656,"?"]
[1287,"CCC(CC)(CO)CO","115-76-4","CCC(CC)(CO)CO","CCC(CC)(CO)CO",{"$nulls":4},132.115029752,"?"]
[1288,"OCC(CO)(CO)CO","115-77-5","OCC(CO)(CO)CO","OCC(CO)(CO)CO",{"$nulls":4},136.073558864,"?"]
[1289,"O=[P](Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3","115-86-6","O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3",{"$nulls":4},326.07079559000044,"?"]
[1290,null,"115-88-8",{"$nulls":7},""]
[1291,"[O-][P]([O-])(=O)OC(c1ccccc1)c2ccccc2","115-89-9","O=P([O-])([O-])OC(c1ccccc1)c1ccccc1","O=P(O)(O)OC(c1ccccc1)c2ccccc2",{"$nulls":4},262.03949546200016,"Structure has been neutralized"]
[1292,"CCO[P](=S)(OCC)Oc1ccc(cc1)[S](C)=O","115-90-2","CCOP(=S)(OCC)Oc1ccc(S(C)=O)cc1","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O",{"$nulls":4},308.03058765400044,"?"]
[1293,null,"115-96-8",{"$nulls":7},""]
[1294,"CCNC(=O)CS[P](=S)(OC)OC","116-01-8","CCNC(=O)CSP(=S)(OC)OC","CCNC(=O)CSP(=S)(OC)OC",{"$nulls":4},243.01527193799998,"?"]
[1295,"CNC(=O)ON=CC(C)(C)SC","116-06-3","CNC(=O)ON=CC(C)(C)SC","CNC(=O)ON=CC(C)(C)SC",{"$nulls":4},190.077598688,"?"]
[1296,"CC(=O)CO","116-09-6","CC(=O)CO","CC(=O)CO",{"$nulls":4},74.036779432,"?"]
[1297,"COC(C)=C","116-11-0","C=C(C)OC","C=C(C)OC",{"$nulls":4},72.057514876,"?"]
[1298,"FC(F)=C(F)F","116-14-3","FC(F)=C(F)F","FC(F)=C(F)F",{"$nulls":4},99.99361288,"?"]
[1299,"CC1(C)N(CO)C(=O)NC1=O","116-25-6","CC1(C)C(=O)NC(=O)N1CO","CC1(N(C(NC1=O)=O)CO)C",{"$nulls":4},158.06914218,"?"]
[1300,"Clc1ccc(cc1)[S](=O)(=O)c2cc(Cl)c(Cl)cc2Cl","116-29-0","O=S(=O)(c1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl","O=S(=O)(c1ccc(cc1)Cl)c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},353.8842611520002,"?"]
[1301,"Nc1ccc(cc1)[S](=O)(=O)Nc2cnccn2","116-44-9","Nc1ccc(S(=O)(=O)Nc2cnccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nccnc2",{"$nulls":4},250.05244656,"?"]
[1302,"Nc1ccc(cc1)[S](=O)(=O)NC#N","116-47-2","N#CNS(=O)(=O)c1ccc(N)cc1","N#CNS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},197.025897464,"?"]
[1303,"CCC(C)C(O)=O","116-53-0","CCC(C)C(=O)O","CCC(C)C(=O)O",{"$nulls":4},102.06807956,"?"]
[1304,"Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12","116-85-8","Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O","Nc1c2c(c(cc1)O)C(c3c(C2=O)cccc3)=O",{"$nulls":4},239.058243148,"?"]
[1305,"O[S](=O)(=O)C1=C(C(=O)C2=CC3=CC=CC(=O)C3=CC2=C1)[S](O)(=O)=O","117-14-6","O=C1C=CC=c2cc3c(cc21)=CC(S(=O)(=O)O)=C(S(=O)(=O)O)C3=O","O=C1c2c(=CC=C1)cc3C(C(=C(C=c3c2)S(=O)(=O)O)S(=O)(=O)O)=O",{"$nulls":4},367.96605921600013,"?"]
[1306,"[O-][N+](=O)c1c(Cl)c(Cl)cc(Cl)c1Cl","117-18-0","O=[N+]([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl","O=[N+]([O-])c1c(c(cc(c1Cl)Cl)Cl)Cl",{"$nulls":4},258.87613899200005,"?"]
[1307,"OC(=O)C(c1ccccc1)c2ccccc2","117-34-0","O=C(O)C(c1ccccc1)c1ccccc1","O=C(O)C(c1ccccc1)c2ccccc2",{"$nulls":4},212.083729624,"?"]
[1308,"Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O","117-39-5","O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12","O=c1c2c(oc(c1O)-c3cc(c(cc3)O)O)cc(O)cc2O",{"$nulls":4},302.0426526600003,"?"]
[1309,"Nc1ccc2C(=O)c3ccccc3C(=O)c2c1","117-79-3","Nc1ccc2c(c1)C(=O)c1ccccc1C2=O","Nc1cc2c(cc1)C(c3c(C2=O)cccc3)=O",{"$nulls":4},223.063328528,"?"]
[1310,"ClC1=C(Cl)C(=O)c2ccccc2C1=O","117-80-6","O=C1C(Cl)=C(Cl)C(=O)c2ccccc21","O=C1c2c(C(C(=C1Cl)Cl)=O)cccc2",{"$nulls":4},225.958834728,"?"]
[1311,"CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC","117-81-7","CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC",{"$nulls":4},390.2770096960011,"?"]
[1312,"COC(C)OC(=O)c1ccccc1C(=O)OC(C)OC","117-82-8","COC(C)OC(=O)c1ccccc1C(=O)OC(C)OC","COC(C)OC(=O)c1c(cccc1)C(=O)OC(C)OC",{"$nulls":4},282.1103382960005,"?"]
[1313,"CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC","117-84-0","CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC","CCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC",{"$nulls":4},390.2770096960011,"?"]
[1314,null,"117-89-5",{"$nulls":7},""]
[1315,"NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3O","118-00-3","Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1","Nc1[nH]c(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)=O",{"$nulls":4},283.09166851600037,"?"]
[1316,"COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5cc34","118-08-1","COc1ccc2c(c1OC)C(=O)OC2C1c2cc3c(cc2CCN1C)OCO3","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3cc5OCOc5c4)C)OC",{"$nulls":4},383.1368873920005,"?"]
[1317,"O[CH]([CH]1C[CH]2CCN1C[CH]2C=C)c3ccnc4ccccc34","118-10-5","C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",{"$nulls":4},294.1732133240006,"?"]
[1318,"Nc1ccc2c(c1)cc(cc2[S](O)(=O)=O)[S](O)(=O)=O","118-33-2","Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1","Nc1cc2c(cc1)c(S(=O)(=O)O)cc(S(=O)(=O)O)c2",{"$nulls":4},302.9871290080002,"?"]
[1319,"CCNc1cccc2ccccc12","118-44-5","CCNc1cccc2ccccc12","CCNc1c2c(ccc1)cccc2",{"$nulls":4},171.104799416,"?"]
[1320,"CC1(C)N(Cl)C(=O)N(Cl)C1=O","118-52-5","CC1(C)C(=O)N(Cl)C(=O)N1Cl","CC1(N(C(N(C1=O)Cl)=O)Cl)C",{"$nulls":4},195.980632792,"?"]
[1321,"Oc1ccccc1C(=O)Oc2ccccc2","118-55-8","O=C(Oc1ccccc1)c1ccccc1O","O=C(Oc1ccccc1)c2c(cccc2)O",{"$nulls":4},214.06299418,"?"]
[1322,"CC1=C(O)C(=O)C=CO1","118-71-8","Cc1occc(=O)c1O","Cc1c(c(cco1)=O)O",{"$nulls":4},126.031694052,"?"]
[1323,"Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","118-74-1","Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},281.81311608,"?"]
[1324,"ClC1=C(Cl)C(=O)C(=C(Cl)C1=O)Cl","118-75-2","O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl","O=C1C(=C(C(C(=C1Cl)Cl)=O)Cl)Cl",{"$nulls":4},243.86523996,"?"]
[1325,"Oc1c(Br)cc(Br)cc1Br","118-79-6","Oc1c(Br)cc(Br)cc1Br","Oc1c(cc(cc1Br)Br)Br",{"$nulls":4},327.7734010160001,"?"]
[1326,"[O-][N+](=O)c1ccc(Cl)cc1C(F)(F)F","118-83-2","O=[N+]([O-])c1ccc(Cl)cc1C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)Cl)C(F)(F)F",{"$nulls":4},224.980440676,"?"]
[1327,"Cc1ccccc1C(O)=O","118-90-1","Cc1ccccc1C(=O)O","Cc1c(cccc1)C(=O)O",{"$nulls":4},136.052429496,"?"]
[1328,"OC(=O)c1ccccc1Cl","118-91-2","O=C(O)c1ccccc1Cl","O=C(O)c1c(cccc1)Cl",{"$nulls":4},155.99780708,"?"]
[1329,"Nc1ccccc1C(O)=O","118-92-3","Nc1ccccc1C(=O)O","Nc1c(cccc1)C(=O)O",{"$nulls":4},137.047678464,"?"]
[1330,"Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","118-96-7","Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},227.01783488,"?"]
[1331,"CCO[P](=S)(OCC)OC1=NN(C(=O)C=C1)c2ccccc2","119-12-0","CCOP(=S)(OCC)Oc1ccc(=O)n(-c2ccccc2)n1","CCOP(=S)(OCC)Oc1nn(c(cc1)=O)-c2ccccc2",{"$nulls":4},340.06466465400047,"?"]
[1332,"Oc1ccc(Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1","119-15-3","O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)Nc2ccc(cc2)O)[N+](=O)[O-]",{"$nulls":4},275.05422038800026,"?"]
[1333,null,"119-19-7",{"$nulls":7},""]
[1334,"COc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O","119-27-7","COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},198.027671292,"?"]
[1335,"Cc1ccc(O)c(c1)[N+]([O-])=O","119-33-5","Cc1ccc(O)c([N+](=O)[O-])c1","Cc1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},153.042593084,"?"]
[1336,"COC(=O)c1ccccc1O","119-36-8","COC(=O)c1ccccc1O","COC(=O)c1c(cccc1)O",{"$nulls":4},152.047344116,"?"]
[1337,"CC(C)n1nc(C)cc1OC(=O)N(C)C","119-38-0","Cc1cc(OC(=O)N(C)C)n(C(C)C)n1","Cc1nn(c(c1)OC(=O)N(C)C)C(C)C",{"$nulls":4},211.132076784,"?"]
[1338,null,"119-47-1",{"$nulls":7},""]
[1339,"CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2","119-48-2","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2",{"$nulls":4},398.289305696001,"?"]
[1340,"OC(c1ccccc1)C(=O)c2ccccc2","119-53-9","O=C(c1ccccc1)C(O)c1ccccc1","O=C(c1ccccc1)C(O)c2ccccc2",{"$nulls":4},212.083729624,"?"]
[1341,"OC(c1ccccc1)c2ccc(Cl)cc2","119-56-2","OC(c1ccccc1)c1ccc(Cl)cc1","OC(c1ccccc1)c2ccc(cc2)Cl",{"$nulls":4},218.049842652,"?"]
[1342,"O=C(c1ccccc1)c2ccccc2","119-61-9","O=C(c1ccccc1)c1ccccc1","O=C(c1ccccc1)c2ccccc2",{"$nulls":4},182.07316494,"?"]
[1343,"C1CCc2ccccc2C1","119-64-2","c1ccc2c(c1)CCCC2","c1cc2c(cc1)CCCC2",{"$nulls":4},132.093900384,"?"]
[1344,"c1ccc2cnccc2c1","119-65-3","c1ccc2cnccc2c1","c1cc2c(cc1)cncc2",{"$nulls":4},129.057849224,"?"]
[1345,"CNc1ccccc1C(O)=O","119-68-6","CNc1ccccc1C(=O)O","CNc1c(cccc1)C(=O)O",{"$nulls":4},151.063328528,"?"]
[1346,"O=C1CCc2ccccc2O1","119-84-6","O=C1CCc2ccccc2O1","O=C1Oc2c(CC1)cccc2",{"$nulls":4},148.052429496,"?"]
[1347,"COc1cc(ccc1N)c2ccc(N)c(OC)c2","119-90-4","COc1cc(-c2ccc(N)c(OC)c2)ccc1N","COc1c(ccc(c1)-c2cc(c(cc2)N)OC)N",{"$nulls":4},244.121177752,"?"]
[1348,"c1ccc2nc(ccc2c1)c3ccc4ccccc4n3","119-91-5","c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1","c1cc2c(cc1)nc(-c3nc4c(cc3)cccc4)cc2",{"$nulls":4},256.100048384,"?"]
[1349,"Nc1ccc(OCCOc2ccc(N)cc2)cc1","119-93-7","Nc1ccc(OCCOc2ccc(N)cc2)cc1","Nc1ccc(cc1)OCCOc2ccc(cc2)N",{"$nulls":4},244.121177752,"?"]
[1350,"OCCN(CCO)c1ccccc1","120-07-0","OCCN(CCO)c1ccccc1","OCCN(CCO)c1ccccc1",{"$nulls":4},181.11027872,"?"]
[1351,"c1ccc2cc3ccccc3cc2c1","120-12-7","c1ccc2cc3ccccc3cc2c1","c1cc2c(cc1)cc3c(cccc3)c2",{"$nulls":4},178.07825032,"?"]
[1352,"COc1ccc(C=O)cc1OC","120-14-9","COc1ccc(C=O)cc1OC","COc1c(cc(cc1)C=O)OC",{"$nulls":4},166.06299418,"?"]
[1353,"O[S](=O)(=O)c1ccc2ccccc2c1","120-18-3","O=S(=O)(O)c1ccc2ccccc2c1","O=S(=O)(O)c1cc2c(cc1)cccc2",{"$nulls":4},208.019415116,"?"]
[1354,"CCOc1ccc(C=O)cc1OC","120-25-2","CCOc1ccc(C=O)cc1OC","CCOc1c(cc(cc1)C=O)OC",{"$nulls":4},180.078644244,"?"]
[1355,"Oc1ccc(Cl)cc1Cc2ccccc2","120-32-1","Oc1ccc(Cl)cc1Cc1ccccc1","Oc1c(cc(cc1)Cl)Cc2ccccc2",{"$nulls":4},218.049842652,"?"]
[1356,"CC(Oc1ccc(Cl)cc1Cl)C(O)=O","120-36-5","CC(Oc1ccc(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O",{"$nulls":4},233.985049476,"?"]
[1357,null,"120-47-8",{"$nulls":7},""]
[1358,"O=Cc1ccc2OCOc2c1","120-57-0","O=Cc1ccc2c(c1)OCO2","O=Cc1cc2c(cc1)OCO2",{"$nulls":4},150.031694052,"?"]
[1359,"COC(=O)c1ccc(cc1)C(=O)OC","120-61-6","COC(=O)c1ccc(C(=O)OC)cc1","COC(=O)c1ccc(cc1)C(=O)OC",{"$nulls":4},194.0579088,"?"]
[1360,"[nH]1ccc2ccccc12","120-72-9","c1ccc2[nH]ccc2c1","c1cc2c(cc1)[nH]cc2",{"$nulls":4},117.057849224,"?"]
[1361,"[nH]1cnc2ncnc2c1","120-73-0","c1nc2c[nH]cnc-2n1","c1nc2-c(n1)c[nH]cn2",{"$nulls":4},120.04359612799999,"?"]
[1362,"S(Sc1sc2ccccc2n1)c3sc4ccccc4n3","120-78-5","c1ccc2sc(SSc3nc4ccccc4s3)nc2c1","c1cc2c(cc1)sc(SSc3sc4c(n3)cccc4)n2",{"$nulls":4},331.9570322560002,"?"]
[1363,"Oc1ccccc1O","120-80-9","Oc1ccccc1O","Oc1c(cccc1)O",{"$nulls":4},110.036779432,"?"]
[1364,"Clc1ccc(Cl)c(Cl)c1","120-82-1","Clc1ccc(Cl)c(Cl)c1","Clc1cc(c(cc1)Cl)Cl",{"$nulls":4},179.930033136,"?"]
[1365,"Oc1ccc(Cl)cc1Cl","120-83-2","Oc1ccc(Cl)cc1Cl","Oc1c(cc(cc1)Cl)Cl",{"$nulls":4},161.963920108,"?"]
[1366,"O=C1NC(=O)C(=O)N1","120-89-8","O=C1NC(=O)C(=O)N1","O=C1NC(C(N1)=O)=O",{"$nulls":4},114.006541924,"?"]
[1367,"Cc1ccc(cc1[S](O)(=O)=O)[N+]([O-])=O","121-03-9","Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)O",{"$nulls":4},217.004493324,"?"]
[1368,"Cc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O","121-14-2","Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},182.032756672,"?"]
[1369,"CC(C)=C[CH]1[CH](C(=O)O[CH]2CC(=O)C(=C2C)CC=CC=C)C1(C)C","121-21-1","C=CC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",{"$nulls":4},328.20384475600076,"?"]
[1370,"COC(=O)C(C)=C[CH]1[CH](C(=O)O[CH]2CC(=O)C(=C2C)CC=CC=C)C1(C)C","121-29-9","C=CC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C(=O)OC)C2(C)C)CC1=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C(=O)OC)(C)C)=O",{"$nulls":4},372.1936739960008,"?"]
[1371,"CCOc1cc(C=O)ccc1O","121-32-4","CCOc1cc(C=O)ccc1O","CCOc1c(ccc(c1)C=O)O",{"$nulls":4},166.06299418,"?"]
[1372,"COc1cc(C=O)ccc1O","121-33-5","COc1cc(C=O)ccc1O","COc1c(ccc(c1)C=O)O",{"$nulls":4},152.047344116,"?"]
[1373,"COc1cc(ccc1O)C(O)=O","121-34-6","COc1cc(C(=O)O)ccc1O","COc1c(ccc(c1)C(=O)O)O",{"$nulls":4},168.042258736,"?"]
[1374,"CCN(CC)CC","121-44-8","CCN(CC)CC","CCN(CC)CC",{"$nulls":4},101.12044947999999,"?"]
[1375,"Nc1ccc(cc1)[S](O)(=O)=O","121-57-3","Nc1ccc(S(=O)(=O)O)cc1","Nc1ccc(cc1)S(=O)(=O)O",{"$nulls":4},173.014664084,"?"]
[1376,"CC(=O)Nc1ccc(cc1)[S](N)(=O)=O","121-61-9","CC(=O)Nc1ccc(S(N)(=O)=O)cc1","CC(=O)Nc1ccc(cc1)S(N)(=O)=O",{"$nulls":4},214.04121318,"?"]
[1377,"CN(C)c1ccccc1","121-69-7","CN(C)c1ccccc1","CN(C)c1ccccc1",{"$nulls":4},121.08914935199999,"?"]
[1378,"[O-][N+](=O)c1cccc(Cl)c1","121-73-3","O=[N+]([O-])c1cccc(Cl)c1","O=[N+]([O-])c1cc(ccc1)Cl",{"$nulls":4},156.993056048,"?"]
[1379,"CCOC(=O)CC(S[P](=S)(OC)OC)C(=O)OCC","121-75-5","CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC","CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC",{"$nulls":4},330.0360669580005,"?"]
[1380,"CCCOC(=O)c1cc(O)c(O)c(O)c1","121-79-9","CCCOC(=O)c1cc(O)c(O)c(O)c1","CCCOC(=O)c1cc(c(c(c1)O)O)O",{"$nulls":4},212.068473484,"?"]
[1381,null,"121-82-4",{"$nulls":7},""]
[1382,"OC(=O)c1cccc(c1)C(O)=O","121-91-5","O=C(O)c1cccc(C(=O)O)c1","O=C(O)c1cc(ccc1)C(=O)O",{"$nulls":4},166.026608672,"?"]
[1383,"OC(=O)c1cccc(c1)[N+]([O-])=O","121-92-6","O=C(O)c1cccc([N+](=O)[O-])c1","O=C(O)c1cc(ccc1)[N+](=O)[O-]",{"$nulls":4},167.02185764,"?"]
[1384,"COC(=O)c1ccc(OC)cc1","121-98-2","COC(=O)c1ccc(OC)cc1","COC(=O)c1ccc(cc1)OC",{"$nulls":4},166.06299418,"?"]
[1385,"CC(=O)c1ccc(C)cc1","122-00-9","CC(=O)c1ccc(C)cc1","CC(=O)c1ccc(cc1)C",{"$nulls":4},134.07316494,"?"]
[1386,"COc1cc(N[S](=O)(=O)c2ccc(N)cc2)nc(OC)n1","122-11-2","COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)OC",{"$nulls":4},310.0735759280004,"?"]
[1387,"CO[P](=S)(OC)Oc1ccc(c(C)c1)[N+]([O-])=O","122-14-5","COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C)c1","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])C",{"$nulls":4},277.01738011400033,"?"]
[1388,"CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1","122-15-6","CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1","CN(C)C(=O)OC=1CC(CC(C1)=O)(C)C",{"$nulls":4},211.120843404,"?"]
[1389,"CC(O)CN(CC(C)O)CC(C)O","122-20-3","CC(O)CN(CC(C)O)CC(C)O","CC(O)CN(CC(C)O)CC(C)O",{"$nulls":4},191.152143532,"?"]
[1390,"CCNc1nc(Cl)nc(NCC)n1","122-34-9","CCNc1nc(Cl)nc(NCC)n1","CCNc1nc(nc(n1)Cl)NCC",{"$nulls":4},201.07812306399998,"?"]
[1391,"N(c1ccccc1)c2ccccc2","122-39-4","c1ccc(Nc2ccccc2)cc1","c1ccc(cc1)Nc2ccccc2",{"$nulls":4},169.089149352,"?"]
[1392,null,"122-42-9",{"$nulls":7},""]
[1393,"OC(=O)COc1ccccc1","122-59-8","O=C(O)COc1ccccc1","O=C(O)COc1ccccc1",{"$nulls":4},152.04734411599998,"?"]
[1394,null,"122-60-1",{"$nulls":7},""]
[1395,"N(Nc1ccccc1)c2ccccc2","122-66-7","c1ccc(NNc2ccccc2)cc1","c1ccc(cc1)NNc2ccccc2",{"$nulls":4},184.100048384,"?"]
[1396,"CC(=O)Nc1ccc(N)cc1","122-80-5","CC(=O)Nc1ccc(N)cc1","CC(=O)Nc1ccc(cc1)N",{"$nulls":4},150.07931294,"?"]
[1397,"OC(=O)COc1ccc(Cl)cc1","122-88-3","O=C(O)COc1ccc(Cl)cc1","O=C(O)COc1ccc(cc1)Cl",{"$nulls":4},186.00837176399997,"?"]
[1398,"OCCCc1ccccc1","122-97-4","OCCCc1ccccc1","OCCCc1ccccc1",{"$nulls":4},136.088815004,"?"]
[1399,"OCCNc1ccccc1","122-98-5","OCCNc1ccccc1","OCCNc1ccccc1",{"$nulls":4},137.084063972,"?"]
[1400,"OCCOc1ccccc1","122-99-6","OCCOc1ccccc1","OCCOc1ccccc1",{"$nulls":4},138.06807956,"?"]
[1401,"CCCCC(CC)CCl","123-04-6","CCCCC(CC)CCl","CCCCC(CC)CCl",{"$nulls":4},148.101878224,"?"]
[1402,"CCCCC(CC)C=O","123-05-7","CCCCC(C=O)CC","CCCCC(C=O)CC",{"$nulls":4},128.120115132,"?"]
[1403,"CCc1ccc(O)cc1","123-07-9","CCc1ccc(O)cc1","CCc1ccc(cc1)O",{"$nulls":4},122.07316494,"?"]
[1404,"Oc1ccc(C=O)cc1","123-08-0","O=Cc1ccc(O)cc1","O=Cc1ccc(cc1)O",{"$nulls":4},122.036779432,"?"]
[1405,"COc1ccc(C=O)cc1","123-11-5","COc1ccc(C=O)cc1","COc1ccc(cc1)C=O",{"$nulls":4},136.052429496,"?"]
[1406,"CCCC(C)C=O","123-15-9","CCCC(C)C=O","CCCC(C)C=O",{"$nulls":4},100.088815004,"?"]
[1407,"CCCC(=O)CCC","123-19-3","CCCC(=O)CCC","CCCC(=O)CCC",{"$nulls":4},114.104465068,"?"]
[1408,"O=C1CCC(=O)OO1","123-23-9","O=C1CCC(=O)OO1","O=C1OOC(CC1)=O",{"$nulls":4},116.01095860800001,"?"]
[1409,"CCOC(=O)CCC(=O)OCC","123-25-1","CCOC(=O)CCC(=O)OCC","CCOC(=O)CCC(=O)OCC",{"$nulls":4},174.089208928,"?"]
[1410,"CCCCCCCCC(=O)OCC","123-29-5","CCCCCCCCC(=O)OCC","CCCCCCCCC(=O)OCC",{"$nulls":4},186.161979944,"?"]
[1411,"Nc1ccc(O)cc1","123-30-8","Nc1ccc(O)cc1","Nc1ccc(cc1)O",{"$nulls":4},109.052763844,"?"]
[1412,"Oc1ccc(O)cc1","123-31-9","Oc1ccc(O)cc1","Oc1ccc(cc1)O",{"$nulls":4},110.036779432,"?"]
[1413,"NNC(=O)C=CC(O)=O","123-33-1","NNC(=O)C=CC(=O)O","NNC(=O)C=CC(=O)O",{"$nulls":4},130.037842052,"?"]
[1414,null,"123-35-3",{"$nulls":7},""]
[1415,"CCC=O","123-38-6","CCC=O","CCC=O",{"$nulls":4},58.041864812,"?"]
[1416,"CNC=O","123-39-7","CNC=O","CNC=O",{"$nulls":4},59.03711378,"?"]
[1417,"CC(=O)CC(C)(C)O","123-42-2","CC(=O)CC(C)(C)O","CC(=O)CC(C)(C)O",{"$nulls":4},116.083729624,"?"]
[1418,"CC(C)CCO","123-51-3","CC(C)CCO","CC(C)CCO",{"$nulls":4},88.088815004,"?"]
[1419,"CC(=O)CC(C)=O","123-54-6","CC(=O)CC(C)=O","CC(=O)CC(C)=O",{"$nulls":4},100.052429496,"?"]
[1420,"O=C1CCC(=O)N1","123-56-8","O=C1CCC(=O)N1","O=C1NC(CC1)=O",{"$nulls":4},99.0320284,"?"]
[1421,"CC1OC(C)OC(C)O1","123-63-7","CC1OC(C)OC(C)O1","CC1OC(OC(O1)C)C",{"$nulls":4},132.078644244,"?"]
[1422,"CCCCCC(=O)OCC","123-66-0","CCCCCC(=O)OCC","CCCCCC(=O)OCC",{"$nulls":4},144.115029752,"?"]
[1423,"CCCC=O","123-72-8","CCCC=O","CCCC=O",{"$nulls":4},72.057514876,"?"]
[1424,"CC=CC=O","123-73-9","CC=CC=O","CC=CC=O",{"$nulls":4},70.041864812,"?"]
[1425,"C1CCNC1","123-75-1","C1CCNC1","C1CNCC1",{"$nulls":4},71.073499288,"?"]
[1426,"CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC","123-79-5","CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC","CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC",{"$nulls":4},370.3083098240012,"?"]
[1427,"CC(O)CNCCN","123-84-2","CC(O)CNCCN","CC(O)CNCCN",{"$nulls":4},118.11061306799999,"?"]
[1428,"CCCCOC(C)=O","123-86-4","CCCCOC(C)=O","CCCCOC(C)=O",{"$nulls":4},116.083729624,"?"]
[1429,"[Cl-].COCC[Hg+]","123-88-6","COCC[Hg+]","COCC[Hg+]","[Cl-]",{"$nulls":3},295.9891855240001,"Errors in neutralization"]
[1430,"C1COCCO1","123-91-1","C1COCCO1","C1OCCOC1",{"$nulls":4},88.052429496,"?"]
[1431,"CC(C)CCOC(C)=O","123-92-2","CC(=O)OCCC(C)C","CC(=O)OCCC(C)C",{"$nulls":4},130.099379688,"?"]
[1432,"OC(=O)CSCC(O)=O","123-93-3","O=C(O)CSCC(=O)O","O=C(O)CSCC(=O)O",{"$nulls":4},149.998679672,"?"]
[1433,"CCCCCCC(C)O","123-96-6","CCCCCCC(C)O","CCCCCCC(C)O",{"$nulls":4},130.135765196,"?"]
[1434,null,"123-99-9",{"$nulls":7},""]
[1435,"C=CCNCC=C","124-02-7","C=CCNCC=C","C=CCNCC=C",{"$nulls":4},97.08914935199999,"?"]
[1436,"OC(=O)CCCCC(O)=O","124-04-9","O=C(O)CCCCC(=O)O","O=C(O)CCCCC(=O)O",{"$nulls":4},146.0579088,"?"]
[1437,"CCCCCCCC(O)=O","124-07-2","CCCCCCCC(=O)O","CCCCCCCC(=O)O",{"$nulls":4},144.115029752,"?"]
[1438,"NCCCCCCN","124-09-4","NCCCCCCN","NCCCCCCN",{"$nulls":4},116.13134851199999,"?"]
[1439,"CC(C)CCCCC=C","124-11-8","C=CCCCCC(C)C","C=CCCCCC(C)C",{"$nulls":4},126.14085057599999,"?"]
[1440,"CCCCCCCC=O","124-13-0","CCCCCCCC=O","CCCCCCCC=O",{"$nulls":4},128.120115132,"?"]
[1441,"CCCCOCCOCCOC(C)=O","124-17-4","CCCCOCCOCCOC(C)=O","CCCCOCCOCCOC(C)=O",{"$nulls":4},204.13615912,"?"]
[1442,"CCCCCCCCCC","124-18-5","CCCCCCCCCC","CCCCCCCCCC",{"$nulls":4},142.172150704,"?"]
[1443,"CCCCCCCCC=O","124-19-6","CCCCCCCCC=O","CCCCCCCCC=O",{"$nulls":4},142.135765196,"?"]
[1444,"CCCCCCCCCCCCN","124-22-1","CCCCCCCCCCCCN","CCCCCCCCCCCCN",{"$nulls":4},185.21434986399998,"?"]
[1445,"O=C=O","124-38-9","O=C=O","O=C=O",{"$nulls":4},43.98982924,"?"]
[1446,"CNC","124-40-3","CNC","CNC",{"$nulls":4},45.057849223999995,"?"]
[1447,"ClC(Br)Br","124-48-1","ClC(Br)Br","ClC(Br)Br",{"$nulls":4},205.813351912,"?"]
[1448,"C.O[AsH](O)=O","124-58-3","O=[AsH](O)O","O=[AsH](O)O","C",{"$nulls":3},141.96111558400003,"Errors in neutralization"]
[1449,"[Cl-].OC[P+](CO)(CO)CO","124-64-1","OC[P+](CO)(CO)CO","OC[P+](CO)(CO)CO","[Cl-]",{"$nulls":3},190.016173174,"?"]
[1450,"CC(C)(N)CO","124-68-5","CC(C)(N)CO","CC(C)(N)CO",{"$nulls":4},89.084063972,"?"]
[1451,"FC(Br)C(F)(F)F","124-72-1","FC(Br)C(F)(F)F","FC(Br)C(F)(F)F",{"$nulls":4},179.919775012,"?"]
[1452,"FC(F)(Br)C(F)(F)Br","124-73-2","FC(F)(Br)C(F)(F)Br","FC(F)(Br)C(F)(F)Br",{"$nulls":4},257.83028708,"?"]
[1453,"CC1(C)C(CCC1(C)C(O)=O)C(O)=O","124-83-4","CC1(C(=O)O)CCC(C(=O)O)C1(C)C","CC1(C(C(CC1)C(=O)O)(C)C)C(=O)O",{"$nulls":4},200.104858992,"?"]
[1454,"CC(=C)[CH]1[CH]2OC(=O)[CH]1[C]3(O)C[CH]4O[C]45C(=O)O[CH]2[C]35C.CC(C)(O)[CH]6[CH]7OC(=O)[CH]6[C]8(O)C[CH]9O[C]9%10C(=O)O[CH]7[C]8%10C","124-87-8","CC(C)(O)C1C2OC(=O)C1C1(O)CC3OC34C(=O)OC2C14C","CC(C)(O)C1C2C(OC1C3OC(C45C(CC2(C43C)O)O5)=O)=O","CC(=C)C1C2OC(=O)C1C3(O)CC4OC45C(=O)OC2C35C",{"$nulls":3},602.199941148001,"?"]
[1455,"C[C]12C[CH](O)[C]3(F)[CH](CCC4=CC(=O)C=C[C]34C)[CH]1C[CH](O)[C]2(O)C(=O)CO","124-94-7","CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F","CC12C(=CC(C=C1)=O)CCC3C2(C(CC4(C3CC(O)C4(O)C(=O)CO)C)O)F",{"$nulls":4},394.17916680400066,"?"]
[1456,"CCC1(C(=O)NCNC1=O)c2ccccc2","125-33-7","CCC1(c2ccccc2)C(=O)NCNC1=O","CCC1(C(NCNC1=O)=O)c2ccccc2",{"$nulls":4},218.105527688,"?"]
[1457,"COC1CC(=O)C[CH](C)[C]12Oc3c(Cl)c(OC)cc(OC)c3C2=O","126-07-8","COc1cc(OC)c2c(c1Cl)OC1(C2=O)C(C)CC(=O)CC1OC","COc1c(c2c(c(c1)OC)C(C3(O2)C(CC(CC3C)=O)OC)=O)Cl",{"$nulls":4},354.0870160080005,"?"]
[1458,"OCC(CO)(CO)[N+]([O-])=O","126-11-4","O=[N+]([O-])C(CO)(CO)CO","O=[N+]([O-])C(CO)(CO)CO",{"$nulls":4},151.048072388,"?"]
[1459,"CC(=O)OC[CH]1O[CH](O[C]2(COC(C)=O)O[CH](COC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O","126-14-7","CC(=O)OCC1OC(OC2(COC(C)=O)OC(COC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O","CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O",{"$nulls":4},678.2007289960011,"?"]
[1460,"NC(O)=O.OC1(CCCCC1)C#C","126-52-3","C#CC1(O)CCCCC1","C#CC1(CCCCC1)O","NC(O)=O",{"$nulls":3},185.10519334,"?"]
[1461,"OCC(CO)(CO)COCC(CO)(CO)CO","126-58-9","OCC(CO)(CO)COCC(CO)(CO)CO","OCC(CO)(CO)COCC(CO)(CO)CO",{"$nulls":4},254.136553044,"?"]
[1462,"BrCC(Br)CO[P](=O)(OCC(Br)CBr)OCC(Br)CBr","126-72-7","O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr","O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr",{"$nulls":4},691.5808181900004,"?"]
[1463,"CCCCO[P](=O)(OCCCC)OCCCC","126-73-8","CCCCOP(=O)(OCCCC)OCCCC","CCCCOP(=O)(OCCCC)OCCCC",{"$nulls":4},266.16469597400027,"?"]
[1464,"CCO[P](=O)(OCC)SCCSCC","126-75-0","CCOP(=O)(OCC)SCCSCC","CCOP(=O)(OCC)SCCSCC",{"$nulls":4},258.05132309800007,"?"]
[1465,"CC1(C)CC(=O)CC(=O)C1","126-81-8","CC1(C)CC(=O)CC(=O)C1","CC1(CC(CC(C1)=O)=O)C",{"$nulls":4},140.083729624,"?"]
[1466,"NC(=O)C1CCCCO1","126-93-2","NC(=O)C1CCCCO1","NC(=O)C1OCCCC1",{"$nulls":4},129.078978592,"?"]
[1467,"CC(=C)C#N","126-98-7","C=C(C)C#N","C=C(C)C#N",{"$nulls":4},67.04219916,"?"]
[1468,"NC(=O)NO","127-07-1","NC(=O)NO","NC(=O)NO",{"$nulls":4},76.027277368,"?"]
[1469,"CC(=O)C(O)=O","127-17-3","CC(=O)C(=O)O","CC(=O)C(=O)O",{"$nulls":4},88.016043988,"?"]
[1470,"ClC(Cl)=C(Cl)Cl","127-18-4","ClC(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)Cl",{"$nulls":4},163.87541072,"?"]
[1471,null,"127-19-5",{"$nulls":7},""]
[1472,null,"127-31-1",{"$nulls":7},""]
[1473,"CN(C)[CH]1[CH]2C[CH]3[CH](O)c4c(Cl)ccc(O)c4C(=C3C(=O)[C]2(O)C(=O)C(=C(N)O)C1=O)O","127-33-3","CN(C)C1C(=O)C(=C(N)O)C(=O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(O)C3CC12","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4Cl)O)C2",{"$nulls":4},464.09864331200043,"?"]
[1474,"CC(=O)C=CC1C(=CCCC1(C)C)C","127-41-3","CC(=O)C=CC1C(C)=CCCC1(C)C","CC(=O)C=CC1C(CCC=C1C)(C)C",{"$nulls":4},192.15141526,"?"]
[1475,"CN1C(=O)OC(C)(C)C1=O","127-48-0","CN1C(=O)OC(C)(C)C1=O","CN1C(C(OC1=O)(C)C)=O",{"$nulls":4},143.058243148,"?"]
[1476,"Cc1noc(N[S](=O)(=O)c2ccc(N)cc2)c1C","127-69-5","Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C","Cc1c(c(on1)NS(=O)(=O)c2ccc(cc2)N)C",{"$nulls":4},267.0677622760003,"?"]
[1477,null,"127-71-9",{"$nulls":7},""]
[1478,null,"127-73-1",{"$nulls":7},""]
[1479,null,"127-74-2",{"$nulls":7},""]
[1480,null,"127-76-4",{"$nulls":7},""]
[1481,"Cc1ccnc(N[S](=O)(=O)c2ccc(N)cc2)n1","127-79-7","Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},264.06809662400025,"?"]
[1482,"[Ag+].CC(O)C([O-])=O","128-00-7","[Ag+]","[Ag+]","CC(O)C([O-])=O",{"$nulls":3},195.92896602000002,"?"]
[1483,"BrN1C(=O)CCC1=O","128-08-5","O=C1CCC(=O)N1Br","O=C1N(C(CC1)=O)Br",{"$nulls":4},176.942540468,"?"]
[1484,"ClN1C(=O)CCC1=O","128-09-6","O=C1CCC(=O)N1Cl","O=C1N(C(CC1)=O)Cl",{"$nulls":4},132.993056048,"?"]
[1485,"C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C","128-13-2","CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",{"$nulls":4},392.29265976000113,"?"]
[1486,null,"128-37-0",{"$nulls":7},""]
[1487,"CC(C)(C)c1cccc(c1O)C(C)(C)C","128-39-2","CC(C)(C)c1cccc(C(C)(C)C)c1O","CC(C)(C)c1c(c(ccc1)C(C)(C)C)O",{"$nulls":4},206.167065324,"?"]
[1488,"COc1ccc2[CH](OC(=O)c2c1OC)[CH]3N(C)CCc4cc5OCOc5c(OC)c34","128-62-1","COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC",{"$nulls":4},413.14745207600055,"?"]
[1489,"c1cc2ccc3cccc4ccc(c1)c2c34","129-00-0","c1cc2ccc3cccc4ccc(c1)c2c34","c1cc2ccc3cccc4ccc(c1)c2c43",{"$nulls":4},202.07825032,"?"]
[1490,"CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3","129-20-4","CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccc(cc3)O)=O",{"$nulls":4},324.1473925000006,"?"]
[1491,"Oc1cccc2C(=O)c3ccccc3C(=O)c12","129-43-1","O=C1c2ccccc2C(=O)c2c(O)cccc21","O=C1c2c(C(c3c1cccc3)=O)c(O)ccc2",{"$nulls":4},224.047344116,"?"]
[1492,"OC(=O)c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","129-66-8","O=C(O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},256.992014056,"?"]
[1493,"CN1N(c2ccccc2)C(=O)C(=C1C)I","129-81-7","Cc1c(I)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1I)=O)-c2ccccc2)C",{"$nulls":4},313.99161097200033,"?"]
[1494,null,"130-16-5",{"$nulls":7},""]
[1495,"COc1ccc2nccc([CH](O)[CH]3C[CH]4CCN3C[CH]4C=C)c2c1","130-95-0","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",{"$nulls":4},324.1837780080007,"?"]
[1496,"COC(=O)c1ccccc1C(=O)OC","131-11-3","COC(=O)c1ccccc1C(=O)OC","COC(=O)c1c(cccc1)C(=O)OC",{"$nulls":4},194.0579088,"?"]
[1497,"CCCOC(=O)c1ccccc1C(=O)OCCC","131-16-8","CCCOC(=O)c1ccccc1C(=O)OCCC","CCCOC(=O)c1c(cccc1)C(=O)OCCC",{"$nulls":4},250.120509056,"?"]
[1498,"C=CCOC(=O)c1ccccc1C(=O)OCC=C","131-17-9","C=CCOC(=O)c1ccccc1C(=O)OCC=C","C=CCOC(=O)c1c(cccc1)C(=O)OCC=C",{"$nulls":4},246.089208928,"?"]
[1499,"COc1ccc(C(=O)Cc2c(CCN(C)C)cc3OCOc3c2OC)c(C(O)=O)c1OC","131-28-2","COc1ccc(C(=O)Cc2c(CCN(C)C)cc3c(c2OC)OCO3)c(C(=O)O)c1OC","COc1c(c(c(cc1)C(=O)Cc2c(c3c(cc2CCN(C)C)OCO3)OC)C(=O)O)OC",{"$nulls":4},445.17366682400063,"?"]
[1500,"Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C2CCCCC2","131-89-5","O=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)C2CCCCC2)O)[N+](=O)[O-]",{"$nulls":4},266.0902715480003,"?"]
[1501,"Oc1ccc2ccccc2c1N=O","131-91-9","O=Nc1c(O)ccc2ccccc12","O=Nc1c2c(ccc1O)cccc2",{"$nulls":4},173.047678464,"?"]
[1502,"CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2.OC(=O)C=CC(O)=O","132-22-9","CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1","CN(C)CCC(c1ccc(cc1)Cl)c2ncccc2","OC(=O)C=CC(O)=O",{"$nulls":3},390.1346348960005,"?"]
[1503,"Oc1c(ccc2ccccc12)N=O","132-53-6","O=Nc1ccc2ccccc2c1O","O=Nc1c(c2c(cc1)cccc2)O",{"$nulls":4},173.047678464,"?"]
[1504,"OC(=O)c1cc(nc2ccccc12)c3ccccc3","132-60-5","O=C(O)c1cc(-c2ccccc2)nc2ccccc12","O=C(O)c1c2c(nc(c1)-c3ccccc3)cccc2",{"$nulls":4},249.078978592,"?"]
[1505,"o1c2ccccc2c3ccccc13","132-64-9","c1ccc2c(c1)oc1ccccc12","c1cc2c(cc1)c3c(o2)cccc3",{"$nulls":4},168.057514876,"?"]
[1506,"s1c2ccccc2c3ccccc13","132-65-0","c1ccc2c(c1)sc1ccccc12","c1cc2c(cc1)c3c(s2)cccc3",{"$nulls":4},184.034671256,"?"]
[1507,null,"132-66-1",{"$nulls":7},""]
[1508,"Oc1cc(O)c2ccccc2c1","132-86-5","Oc1cc(O)c2ccccc2c1","Oc1cc2c(c(c1)O)cccc2",{"$nulls":4},160.052429496,"?"]
[1509,"ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O","133-06-2","O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)Cl",{"$nulls":4},298.93413253600016,"?"]
[1510,"ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O","133-07-3","O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl","O=C1N(C(c2c1cccc2)=O)SC(Cl)(Cl)Cl",{"$nulls":4},294.90283240800005,"?"]
[1511,"Nc1ccc(c(O)c1)C(=O)Oc2ccccc2","133-11-9","Nc1ccc(C(=O)Oc2ccccc2)c(O)c1","Nc1cc(c(cc1)C(=O)Oc2ccccc2)O",{"$nulls":4},229.073893212,"?"]
[1512,"OC(=O)CCCc1c[nH]c2ccccc12","133-32-4","O=C(O)CCCc1c[nH]c2ccccc12","O=C(O)CCCc1c2c([nH]c1)cccc2",{"$nulls":4},203.094628656,"?"]
[1513,"OC(C(O)C(O)=O)C(O)=O","133-37-9","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",{"$nulls":4},150.01643791200001,"?"]
[1514,"OC(=O)C(O)=C(O)C(O)=O","133-38-0","O=C(O)C(O)=C(O)C(=O)O","O=C(O)C(O)=C(O)C(=O)O",{"$nulls":4},148.000787848,"?"]
[1515,"Cc1cc(O)c(Cl)c(C)c1Cl","133-53-9","Cc1cc(O)c(Cl)c(C)c1Cl","Cc1c(c(c(c(c1)O)Cl)C)Cl",{"$nulls":4},189.995220236,"?"]
[1516,"N[S](=O)(=O)c1cc2c(NC(N[S]2(=O)=O)C(Cl)Cl)cc1Cl","133-67-5","NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)C(Cl)Cl)(=O)=O)Cl",{"$nulls":4},378.90218077600025,"?"]
[1517,"Nc1cc(Cl)cc(C(O)=O)c1Cl","133-90-4","Nc1cc(Cl)cc(C(=O)O)c1Cl","Nc1c(c(cc(c1)Cl)C(=O)O)Cl",{"$nulls":4},204.96973376,"?"]
[1518,"OC(=O)c1cc(I)cc(I)c1O","133-91-5","O=C(O)c1cc(I)cc(I)c1O","O=C(O)c1c(c(cc(c1)I)I)O",{"$nulls":4},389.8249899880001,"?"]
[1519,"COC(=O)c1ccccc1N","134-20-3","COC(=O)c1ccccc1N","COC(=O)c1c(cccc1)N",{"$nulls":4},151.063328528,"?"]
[1520,"Nc1cccc2ccccc12","134-32-7","Nc1cccc2ccccc12","Nc1c2c(ccc1)cccc2",{"$nulls":4},143.073499288,"?"]
[1521,"CC(=O)Oc1ccccc1C(=O)Oc2ccccc2","134-55-4","CC(=O)Oc1ccccc1C(=O)Oc1ccccc1","CC(=O)Oc1c(cccc1)C(=O)Oc2ccccc2",{"$nulls":4},256.073558864,"?"]
[1522,"CCc1ccccc1CC","135-01-3","CCc1ccccc1CC","CCc1c(cccc1)CC",{"$nulls":4},134.109550448,"?"]
[1523,"N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1C(F)(F)F","135-09-1","NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)C(F)(F)F",{"$nulls":4},330.9908323960002,"?"]
[1524,"Oc1ccc2ccccc2c1","135-19-3","Oc1ccc2ccccc2c1","Oc1cc2c(cc1)cccc2",{"$nulls":4},144.057514876,"?"]
[1525,"Nc1ccc(cc1)c2ccc(Cl)cc2","135-68-2","Nc1ccc(-c2ccc(Cl)cc2)cc1","Nc1ccc(cc1)-c2ccc(cc2)Cl",{"$nulls":4},203.050177,"?"]
[1526,"CCC(C)c1ccccc1","135-98-8","CCC(C)c1ccccc1","CCC(C)c1ccccc1",{"$nulls":4},134.109550448,"?"]
[1527,"N(N=Nc1ccccc1)c2ccccc2","136-35-6","c1ccc(N=NNc2ccccc2)cc1","c1ccc(cc1)N=NNc2ccccc2",{"$nulls":4},197.095297352,"?"]
[1528,"CCCCOC(=O)c1ccccc1","136-60-7","CCCCOC(=O)c1ccccc1","CCCCOC(=O)c1ccccc1",{"$nulls":4},178.099379688,"?"]
[1529,"CCCCCCc1ccc(O)cc1O","136-77-6","CCCCCCc1ccc(O)cc1O","CCCCCCc1c(cc(cc1)O)O",{"$nulls":4},194.130679816,"?"]
[1530,"CCOc1ccc(cc1N)[N+]([O-])=O","136-79-8","CCOc1ccc([N+](=O)[O-])cc1N","CCOc1c(cc(cc1)[N+](=O)[O-])N",{"$nulls":4},182.06914218,"?"]
[1531,"Cc1cc(C)c(N)cc1C","137-17-7","Cc1cc(C)c(N)cc1C","Cc1c(cc(c(c1)C)N)C",{"$nulls":4},135.104799416,"?"]
[1532,"CCC(C)CO","137-32-6","CCC(C)CO","CCC(C)CO",{"$nulls":4},88.088815004,"?"]
[1533,"[Na+].CCC([O-])=O","137-40-6","CCC(=O)[O-]","CCC(=O)O","[Na+]",{"$nulls":3},96.01872368000001,"Structure has been neutralized"]
[1534,null,"137-42-8",{"$nulls":7},""]
[1535,"CCN(CC)CC(=O)Nc1c(C)cccc1C","137-58-6","CCN(CC)CC(=O)Nc1c(C)cccc1C","CCN(CC)CC(=O)Nc1c(cccc1C)C",{"$nulls":4},234.173213324,"?"]
[1536,"Cl.N[CH](CCC(O)=O)C(O)=O","138-15-8","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","Cl",{"$nulls":3},183.02983548,"?"]
[1537,"CCCCOC(=O)C(C)O","138-22-7","CCCCOC(=O)C(C)O","CCCCOC(=O)C(C)O",{"$nulls":4},146.094294308,"?"]
[1538,"NNc1cccc(c1)[S](O)(=O)=O","138-30-7","NNc1cccc(S(=O)(=O)O)c1","NNc1cc(ccc1)S(=O)(=O)O",{"$nulls":4},188.025563116,"?"]
[1539,"NCc1ccc(cc1)[S](N)(=O)=O","138-39-6","NCc1ccc(S(N)(=O)=O)cc1","NCc1ccc(cc1)S(N)(=O)=O",{"$nulls":4},186.04629856,"?"]
[1540,"OC[CH]1O[CH](Oc2ccccc2CO)[CH](O)[CH](O)[CH]1O","138-52-3","OCc1ccccc1OC1OC(CO)C(O)C(O)C1O","OCc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",{"$nulls":4},286.1052529160005,"?"]
[1541,"OC1CC(=CC(O)C1O)C(O)=O","138-59-0","O=C(O)C1=CC(O)C(O)C(O)C1","O=C(O)C=1CC(C(C(C1)O)O)O",{"$nulls":4},174.05282342,"?"]
[1542,"CC(=C)C1CCC(=CC1)C","138-86-3","C=C(C)C1CC=C(C)CC1","C=C(C)C1CCC(=CC1)C",{"$nulls":4},136.125200512,"?"]
[1543,"COc1cc(C=CCO)cc(OC)c1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O","138-87-4","COc1cc(C=CCO)cc(OC)c1OC1OC(CO)C(O)C(O)C1O","COc1c(c(cc(c1)C=CCO)OC)OC2C(C(C(C(O2)CO)O)O)O",{"$nulls":4},372.1420323480006,"?"]
[1544,"OC(=O)CN(CC(O)=O)CC(O)=O","139-13-9","O=C(O)CN(CC(=O)O)CC(=O)O","O=C(O)CN(CC(=O)O)CC(=O)O",{"$nulls":4},191.042987008,"?"]
[1545,"CC(C)Nc1nc(Cl)nc(NC(C)C)n1","139-40-2","CC(C)Nc1nc(Cl)nc(NC(C)C)n1","CC(C)Nc1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},229.10942319199998,"?"]
[1546,"CCC(=O)OCC(COC(=O)CC)OC(=O)CC","139-45-7","CCC(=O)OCC(COC(=O)CC)OC(=O)CC","CCC(=O)OCC(COC(=O)CC)OC(=O)CC",{"$nulls":4},260.1259883600001,"?"]
[1547,"Oc1ccc(C=O)cc1O","139-85-5","O=Cc1ccc(O)c(O)c1","O=Cc1cc(c(cc1)O)O",{"$nulls":4},138.031694052,"?"]
[1548,"NC(Cc1sccc1)C(O)=O","139-86-6","NC(Cc1cccs1)C(=O)O","NC(Cc1sccc1)C(=O)O",{"$nulls":4},171.035399528,"?"]
[1549,"CCN(CCO)CCO","139-87-7","CCN(CCO)CCO","CCN(CCO)CCO",{"$nulls":4},133.11027872,"?"]
[1550,"[O-][N+](=O)c1oc(cc1)C=NN2CC(CN3CCOCC3)OC2=O","139-91-3","O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1","O=C1N(CC(O1)CN2CCOCC2)N=Cc3oc(cc3)[N+](=O)[O-]",{"$nulls":4},324.1069842320004,"?"]
[1551,"CCNC(=O)Nc1sc(cn1)[N+]([O-])=O","139-94-6","CCNC(=O)Nc1ncc([N+](=O)[O-])s1","CCNC(=O)Nc1sc(cn1)[N+](=O)[O-]",{"$nulls":4},216.031711116,"?"]
[1552,"OC(=O)C=Cc1ccccc1","140-10-3","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1",{"$nulls":4},148.052429496,"?"]
[1553,"CC(=O)OCc1ccccc1","140-11-4","CC(=O)OCc1ccccc1","CC(=O)OCc1ccccc1",{"$nulls":4},150.06807956,"?"]
[1554,"C(CNCc1ccccc1)NCc2ccccc2","140-28-3","c1ccc(CNCCNCc2ccccc2)cc1","c1ccc(cc1)CNCCNCc2ccccc2",{"$nulls":4},240.16264864,"?"]
[1555,"N#CCc1ccccc1","140-29-4","N#CCc1ccccc1","N#CCc1ccccc1",{"$nulls":4},117.057849224,"?"]
[1556,"[Na+].CN(C)c1ccc(cc1)N=N[S]([O-])(=O)=O","140-56-7","CN(C)c1ccc(N=NS(=O)(=O)[O-])cc1","CN(C)c1ccc(cc1)N=NS(=O)(=O)O","[Na+]",{"$nulls":3},251.03405646,"Structure has been neutralized"]
[1557,"COc1ccc(CC=C)cc1","140-67-0","C=CCc1ccc(OC)cc1","C=CCc1ccc(cc1)OC",{"$nulls":4},148.088815004,"?"]
[1558,"OC(=O)CCC1CCCC1","140-77-2","O=C(O)CCC1CCCC1","O=C(O)CCC1CCCC1",{"$nulls":4},142.099379688,"?"]
[1559,"CCOC(=O)C=C","140-88-5","C=CC(=O)OCC","C=CC(=O)OCC",{"$nulls":4},100.052429496,"?"]
[1560,"CCCCC(CC)COC(=O)C=CC([O-])=O","141-02-6","CCCCC(CC)COC(=O)C=CC(=O)[O-]","CCCCC(CC)COC(=O)C=CC(=O)O",{"$nulls":4},227.128334088,"Structure has been neutralized"]
[1561,"CCCCOC(=O)CCC(=O)OCCCC","141-03-7","CCCCOC(=O)CCC(=O)OCCCC","CCCCOC(=O)CCC(=O)OCCCC",{"$nulls":4},230.151809184,"?"]
[1562,"CCOC(=O)C=CC(=O)OCC","141-05-9","CCOC(=O)C=CC(=O)OCC","CCOC(=O)C=CC(=O)OCC",{"$nulls":4},172.073558864,"?"]
[1563,"CCOC(=O)CCCCC(=O)OCC","141-28-6","CCOC(=O)CCCCC(=O)OCC","CCOC(=O)CCCCC(=O)OCC",{"$nulls":4},202.120509056,"?"]
[1564,"CCCCOC(=O)C=C","141-32-2","C=CC(=O)OCCCC","C=CC(=O)OCCCC",{"$nulls":4},128.083729624,"?"]
[1565,"NCCO","141-43-5","NCCO","NCCO",{"$nulls":4},61.052763844,"?"]
[1566,"[Na+].[O-]C=O","141-53-7","O=C[O-]","O=CO","[Na+]",{"$nulls":3},67.987423552,"Structure has been neutralized"]
[1567,"C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","141-62-8","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C",{"$nulls":4},310.1272009400008,"?"]
[1568,"CO[P](=O)(OC)OC(C)=CC(=O)N(C)C","141-66-2","COP(=O)(OC)OC(C)=CC(=O)N(C)C","COP(=O)(OC)OC(C)=CC(=O)N(C)C",{"$nulls":4},237.07660924200002,"?"]
[1569,"OC(=O)CCI","141-76-4","O=C(O)CCI","O=C(O)CCI",{"$nulls":4},199.9334274,"?"]
[1570,"CCOC(C)=O","141-78-6","CCOC(C)=O","CCOC(C)=O",{"$nulls":4},88.052429496,"?"]
[1571,"CC(C)=CC(C)=O","141-79-7","CC(=O)C=C(C)C","CC(=O)C=C(C)C",{"$nulls":4},98.07316494,"?"]
[1572,"OC(=O)CC(O)=O","141-82-2","O=C(O)CC(=O)O","O=C(O)CC(=O)O",{"$nulls":4},104.01095860800001,"?"]
[1573,"O=C1CSC(=S)N1","141-84-4","O=C1CSC(=S)N1","O=C1NC(SC1)=S",{"$nulls":4},132.965605716,"?"]
[1574,"O=C1NC(=S)NC=C1","141-90-2","O=c1cc[nH]c(=S)[nH]1","O=c1[nH]c([nH]cc1)=S",{"$nulls":4},128.004433748,"?"]
[1575,"CCc1cccc(CC)c1","141-93-5","CCc1cccc(CC)c1","CCc1cc(ccc1)CC",{"$nulls":4},134.109550448,"?"]
[1576,"CCOC(=O)CC(C)=O","141-97-9","CCOC(=O)CC(C)=O","CCOC(=O)CC(C)=O",{"$nulls":4},130.06299418,"?"]
[1577,"Oc1ccccn1","142-08-5","Oc1ccccn1","Oc1ncccc1",{"$nulls":4},95.03711378,"?"]
[1578,"CC(=O)NCCO","142-26-7","CC(=O)NCCO","CC(=O)NCCO",{"$nulls":4},103.063328528,"?"]
[1579,"ClCCCCl","142-28-9","ClCCCCl","ClCCCCl",{"$nulls":4},111.98465555199999,"?"]
[1580,"C1CC=CC1","142-29-0","C1=CCCC1","C=1CCCC1",{"$nulls":4},68.062600256,"?"]
[1581,null,"142-46-1",{"$nulls":7},""]
[1582,"[Na+].N[CH](CCC(O)=O)C([O-])=O","142-47-2","NC(CCC(=O)O)C(=O)[O-]","NC(CCC(=O)O)C(=O)O","[Na+]",{"$nulls":3},169.035102016,"Structure has been neutralized"]
[1583,"[Na+].[Na+].[S-]C(=S)NCCNC([S-])=S","142-59-6","S=C([S-])NCCNC(=S)[S-]","S=C(S)NCCNC(=S)S","[Na+]","[Na+]",null,null,255.920920752,"Structure has been neutralized"]
[1584,"CCCCCC(O)=O","142-62-1","CCCCCC(=O)O","CCCCCC(=O)O",{"$nulls":4},116.083729624,"?"]
[1585,"Cl.C1CNCCN1","142-64-3","C1CNCCN1","C1NCCNC1","Cl",{"$nulls":3},122.06107603199999,"?"]
[1586,"C1CCOCC1","142-68-7","C1CCOCC1","C1CCOCC1",{"$nulls":4},86.07316494,"?"]
[1587,"OC(=O)CNCC(O)=O","142-73-4","O=C(O)CNCC(=O)O","O=C(O)CNCC(=O)O",{"$nulls":4},133.037507704,"?"]
[1588,"CCCCCCC","142-82-5","CCCCCCC","CCCCCCC",{"$nulls":4},100.12520051199999,"?"]
[1589,"CCCNCCC","142-84-7","CCCNCCC","CCCNCCC",{"$nulls":4},101.12044947999999,"?"]
[1590,"CCCCCCOC(C)=O","142-92-7","CCCCCCOC(C)=O","CCCCCCOC(C)=O",{"$nulls":4},144.115029752,"?"]
[1591,"CCCCOCCCC","142-96-1","CCCCOCCCC","CCCCOCCCC",{"$nulls":4},130.135765196,"?"]
[1592,"CCCCCCCCCCCC(O)=O","143-07-7","CCCCCCCCCCCC(=O)O","CCCCCCCCCCCC(=O)O",{"$nulls":4},200.177630008,"?"]
[1593,"CCCCCCCCCO","143-08-8","CCCCCCCCCO","CCCCCCCCCO",{"$nulls":4},144.15141526,"?"]
[1594,"CCCCCCNCCCCCC","143-16-8","CCCCCCNCCCCCC","CCCCCCNCCCCCC",{"$nulls":4},185.21434986399998,"?"]
[1595,"CCCCOCCOCCOCCO","143-22-6","CCCCOCCOCCOCCO","CCCCOCCOCCOCCO",{"$nulls":4},206.151809184,"?"]
[1596,"ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(=O)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","143-50-0","O=C1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","O=C1C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},485.68344141999995,"?"]
[1597,"[Na+].CCC(C)C1(CC)C(=O)NC(=O)[N-]C1=O","143-81-7","CCC(C)C1(CC)C(=O)[N-]C(=O)NC1=O","CCC(C)C1(C(NC(NC1=O)=O)=O)CC","[Na+]",{"$nulls":3},234.09803662,"Structure has been neutralized"]
[1598,"OC(=O)CC1(CC(O)=O)OCOC1=O","144-16-1","O=C(O)CC1(CC(=O)O)OCOC1=O","O=C(O)CC1(C(OCO1)=O)CC(=O)O",{"$nulls":4},204.02700259600002,"?"]
[1599,"CC(C)C(O)C(C)(C)CO","144-19-4","CC(C)C(O)C(C)(C)CO","CC(C)C(O)C(C)(C)CO",{"$nulls":4},146.130679816,"?"]
[1600,"[Na+].[Na+].C[As]([O-])([O-])=O","144-21-8","C[As](=O)([O-])[O-]","C[As](=O)(O)O","[Na+]","[Na+]",null,null,183.909354016,"Structure has been neutralized"]
[1601,"OC(=O)CF","144-49-0","O=C(O)CF","O=C(O)CF",{"$nulls":4},78.011707556,"?"]
[1602,"OC(=O)C(O)=O","144-62-7","O=C(O)C(=O)O","O=C(O)C(=O)O",{"$nulls":4},89.995308544,"?"]
[1603,"CC(=O)N[S](=O)(=O)c1ccc(N)cc1","144-80-9","CC(=O)NS(=O)(=O)c1ccc(N)cc1","CC(=O)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},214.04121318,"?"]
[1604,"Cc1sc(N[S](=O)(=O)c2ccc(N)cc2)nn1","144-82-1","Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},270.0245175600003,"?"]
[1605,"Nc1ccc(cc1)[S](=O)(=O)Nc2ccccn2","144-83-2","Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2",{"$nulls":4},249.057197592,"?"]
[1606,"CC(O)C(N)C(O)=O","144-98-9","CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O",{"$nulls":4},119.058243148,"?"]
[1607,"CC(=O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C","145-13-1","CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C","CC(=O)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C",{"$nulls":4},316.2402302640009,"?"]
[1608,"OC(=O)C1C2CCC(O2)C1C(O)=O","145-73-3","O=C(O)C1C2CCC(O2)C1C(=O)O","O=C(O)C1C(C2CCC1O2)C(=O)O",{"$nulls":4},186.05282342,"?"]
[1609,"O[CH]([CH](O)C(O)=O)C(O)=O","147-71-7","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",{"$nulls":4},150.01643791200001,"?"]
[1610,"OC(C(O)C(O)=O)C(O)=O","147-73-9","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",{"$nulls":4},150.01643791200001,"?"]
[1611,"OC[CH](O)[CH](O)[CH](O)C=O","147-81-9","O=CC(O)C(O)C(O)CO","O=CC(O)C(O)C(O)CO",{"$nulls":4},150.05282342,"?"]
[1612,"OC(=O)[CH]1CCCN1","147-85-3","O=C(O)C1CCCN1","O=C(O)C1NCCC1",{"$nulls":4},115.063328528,"?"]
[1613,"Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(N)=O","148-01-6","Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1C(N)=O)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},225.038570324,"?"]
[1614,"Oc1cccc2cccnc12","148-24-3","Oc1cccc2cccnc12","Oc1c2c(ccc1)cccn2",{"$nulls":4},145.052763844,"?"]
[1615,"N[S](=O)(=O)c1cc2c(NC=N[S]2(=O)=O)cc1C(F)(F)F","148-56-1","NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC=NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)C(F)(F)F",{"$nulls":4},328.97518233200014,"?"]
[1616,"CN(C)CCN(Cc1sc(Cl)cc1)c2ccccn2","148-65-2","CN(C)CCN(Cc1ccc(Cl)s1)c1ccccn1","CN(C)CCN(Cc1sc(cc1)Cl)c2ncccc2",{"$nulls":4},295.09099625600055,"?"]
[1617,"[nH]1c2ccccc2nc1c3cscn3","148-79-8","c1ccc2[nH]c(-c3cscn3)nc2c1","c1cc2c(cc1)[nH]c(-c3ncsc3)n2",{"$nulls":4},201.036068224,"?"]
[1618,null,"149-26-8",{"$nulls":7},""]
[1619,"Sc1sc2ccccc2n1","149-30-4","Sc1nc2ccccc2s1","Sc1sc2c(n1)cccc2",{"$nulls":4},166.98634116,"?"]
[1620,"OC[CH](O)[CH](O)CO","149-32-6","OCC(O)C(O)CO","OCC(O)C(O)CO",{"$nulls":4},122.0579088,"?"]
[1621,"CCCCC(CC)C(O)=O","149-57-5","CCCCC(CC)C(=O)O","CCCCC(CC)C(=O)O",{"$nulls":4},144.115029752,"?"]
[1622,"OC(=O)c1cc(O)c(O)c(O)c1","149-91-7","O=C(O)c1cc(O)c(O)c(O)c1","O=C(O)c1cc(c(c(c1)O)O)O",{"$nulls":4},170.021523292,"?"]
[1623,"Nc1ccc(cc1)C(O)=O","150-13-0","Nc1ccc(C(=O)O)cc1","Nc1ccc(cc1)C(=O)O",{"$nulls":4},137.047678464,"?"]
[1624,"COc1cccc(O)c1","150-19-6","COc1cccc(O)c1","COc1cc(ccc1)O",{"$nulls":4},124.052429496,"?"]
[1625,"NC(Cc1ccccc1)C(O)=O","150-30-1","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",{"$nulls":4},165.078978592,"?"]
[1626,"CN(C)C(=O)Nc1ccc(Cl)cc1","150-68-5","CN(C)C(=O)Nc1ccc(Cl)cc1","CN(C)C(=O)Nc1ccc(cc1)Cl",{"$nulls":4},198.055990652,"?"]
[1627,"CCOc1ccc(NC(N)=O)cc1","150-69-6","CCOc1ccc(NC(N)=O)cc1","CCOc1ccc(cc1)NC(N)=O",{"$nulls":4},180.089877624,"?"]
[1628,"COc1ccc(O)cc1","150-76-5","COc1ccc(O)cc1","COc1ccc(cc1)O",{"$nulls":4},124.052429496,"?"]
[1629,"[Na+].[Na+].[O-]C(=O)CCC([O-])=O","150-90-3","O=C([O-])CCC(=O)[O-]","O=C(O)CCC(=O)O","[Na+]","[Na+]",null,null,161.99049716800002,"Structure has been neutralized"]
[1630,"[K+].[C-]#N","151-50-8","[K+]","[K+]","[C-]#N",{"$nulls":3},64.96678068,"?"]
[1631,"C1CN1","151-56-4","C1CN1","C1NC1",{"$nulls":4},43.042199159999996,"?"]
[1632,"FC(F)(F)C(Cl)Br","151-67-7","FC(F)(F)C(Cl)Br","FC(F)(F)C(Cl)Br",{"$nulls":4},195.890224472,"?"]
[1633,"CN(C)[P](=O)(O[P](=O)(N(C)C)N(C)C)N(C)C","152-16-9","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C",{"$nulls":4},286.13236388800067,"?"]
[1634,"NC1=NC(=O)C(=C(N)N1)O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O","152-93-2","Nc1nc(=O)c(OC2OC(CO)C(O)C(O)C2O)c(N)[nH]1","Nc1[nH]c(c(c(n1)=O)OC2C(C(C(C(O2)CO)O)O)O)N",{"$nulls":4},304.10189885200043,"?"]
[1635,"C[CH]1C[CH]2[CH]3C[CH](F)C4=CC(=O)C=C[C]4(C)[CH]3[CH](O)C[C]2(C)[CH]1C(=O)CO","152-97-6","CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)C(O)C2)C)C(=O)CO",{"$nulls":4},376.20498762800077,"?"]
[1636,null,"154-93-8",{"$nulls":7},""]
[1637,"OC(=O)Cc1ccc(O)cc1","156-38-7","O=C(O)Cc1ccc(O)cc1","O=C(O)Cc1ccc(cc1)O",{"$nulls":4},152.047344116,"?"]
[1638,null,"156-59-2",{"$nulls":7},""]
[1639,null,"156-60-5",{"$nulls":7},""]
[1640,"C1COC2(C1)CCCO2","176-25-0","C1COC2(C1)CCCO2","C1CC2(OC1)OCCC2",{"$nulls":4},128.083729624,"?"]
[1641,"c1cc2ccc3ccc4ccc5ccc6ccc1c7c2c3c4c5c67","191-07-1","c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61","c1c2ccc3ccc4ccc5ccc6ccc(c1)c7c2c3c4c5c67",{"$nulls":4},300.09390038400034,"?"]
[1642,"c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56","191-24-2","c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56","c1cc2c3cccc4ccc5ccc6ccc(c1)c2c6c5c43",{"$nulls":4},276.09390038400034,"?"]
[1643,"c1ccc2c(c1)c3cccc4ccc5cccc2c5c34","192-97-2","c1ccc2c(c1)c1cccc3ccc4cccc2c4c31","c1cc2c(cc1)c3cccc4ccc5cccc2c5c43",{"$nulls":4},252.093900384,"?"]
[1644,"c1ccc2c(c1)c3ccc4ccc5cccc6cc2c3c4c56","193-39-5","c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45","c1cc-2c(cc1)-c3cc4cccc5ccc6ccc2c3c6c54",{"$nulls":4},276.09390038400034,"?"]
[1645,"[nH]1c2ccc3ccccc3c2c4c1ccc5ccccc45","194-59-2","c1ccc2c(c1)ccc1[nH]c3ccc4ccccc4c3c12","c1cc2c(cc1)c3c(cc2)[nH]c4c3c5c(cc4)cccc5",{"$nulls":4},267.10479941600033,"?"]
[1646,"c1ccc2c(c1)ccc3ccc4ccccc4c23","195-19-7","c1ccc2c(c1)ccc1ccc3ccccc3c12","c1cc2c(cc1)c3c(cc2)ccc4c3cccc4",{"$nulls":4},228.093900384,"?"]
[1647,"c1cc2cccc3c4cccc5cccc(c(c1)c23)c45","198-55-0","c1cc2cccc3c4cccc5cccc(c(c1)c23)c54","c1cc2c3cccc4cccc(c5cccc(c1)c52)c43",{"$nulls":4},252.093900384,"?"]
[1648,null,"203-20-3",{"$nulls":7},""]
[1649,"C1c2cccc3ccc4cccc1c4c23","203-64-5","c1cc2c3c(c1)ccc1cccc(c13)C2","c1cc2c3c(c1)Cc4cccc(cc2)c34",{"$nulls":4},190.07825032,"?"]
[1650,"c1ccc2c(c1)ccc3c4cccc5cccc(c45)c23","205-82-3","c1ccc2c3c(ccc2c1)-c1cccc2cccc-3c12","c1cc2c(cc1)c3-c4cccc5cccc(-c3cc2)c54",{"$nulls":4},252.093900384,"?"]
[1651,"c1ccc2c(c1)cc3c4ccccc4c5cccc2c35","205-99-2","c1ccc2c(c1)-c1cccc3c1c-2cc1ccccc13","c1cc-2c(cc1)-c3c4c2cccc4c5c(c3)cccc5",{"$nulls":4},252.093900384,"?"]
[1652,"c1ccc2c(c1)c3cccc4cccc2c34","206-44-0","c1ccc2c(c1)-c1cccc3cccc-2c13","c1cc-2c(cc1)-c3cccc4cccc2c43",{"$nulls":4},202.07825032,"?"]
[1653,"c1ccc2cc3c4cccc5cccc(c3cc2c1)c45","207-08-9","c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12","c1cc2c(cc1)cc3-c4cccc5cccc(-c3c2)c54",{"$nulls":4},252.093900384,"?"]
[1654,"c1cc2cccc3C=Cc(c1)c23","208-96-8","C1=Cc2cccc3cccc1c23","C=1c2cccc3cccc(C1)c32",{"$nulls":4},152.062600256,"?"]
[1655,"c1ccc2c(c1)ccc3c2ccc4c5ccccc5ccc34","213-46-7","c1ccc2c(c1)ccc1c2ccc2c3ccccc3ccc21","c1cc2c(cc1)c3c(cc2)c4c(cc3)c5c(cccc5)cc4",{"$nulls":4},278.1095504480004,"?"]
[1656,"c1ccc2cc3c4ccccc4c5ccccc5c3cc2c1","215-58-7","c1ccc2cc3c4ccccc4c4ccccc4c3cc2c1","c1cc2c(cc1)cc3c(c4c(c5c3cccc5)cccc4)c2",{"$nulls":4},278.1095504480004,"?"]
[1657,"c1ccc2c(c1)c3ccccc3c4ccccc24","217-59-4","c1ccc2c(c1)c1ccccc1c1ccccc21","c1cc2c(cc1)c3c(c4c2cccc4)cccc3",{"$nulls":4},228.093900384,"?"]
[1658,"c1ccc2c(c1)ccc3c4ccccc4ccc23","218-01-9","c1ccc2c(c1)ccc1c3ccccc3ccc21","c1cc2c(cc1)c3c(cc2)c4c(cccc4)cc3",{"$nulls":4},228.093900384,"?"]
[1659,"c1ccc2c(c1)ccc3cc4ccc5ccccc5c4cc23","224-41-9","c1ccc2c(c1)ccc1cc3ccc4ccccc4c3cc12","c1cc2c(cc1)c3c(cc2)cc4c(c5c(cc4)cccc5)c3",{"$nulls":4},278.1095504480004,"?"]
[1660,"N1c2c(Sc3ccc4ccccc4c13)ccc5ccccc25","224-62-4","c1ccc2c3c(ccc2c1)Sc1ccc2ccccc2c1N3","c1cc2c(cc1)c3Nc4c(Sc3cc2)ccc5c4cccc5",{"$nulls":4},299.07687041600036,"?"]
[1661,"N1c2ccc3ccccc3c2Sc4c1ccc5ccccc45","224-72-6","c1ccc2c3c(ccc2c1)Nc1ccc2ccccc2c1S3","c1cc2c(cc1)c3Sc4c(Nc3cc2)ccc5c4cccc5",{"$nulls":4},299.07687041600036,"?"]
[1662,"N1c2ccccc2Sc3c1ccc4ccccc34","225-83-2","c1ccc2c(c1)Nc1ccc3ccccc3c1S2","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4",{"$nulls":4},249.061220352,"?"]
[1663,"N1c2ccccc2Sc3c1ccc4ccccc34","226-06-2","c1ccc2c(c1)Nc1ccc3ccccc3c1S2","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4",{"$nulls":4},249.061220352,"?"]
[1664,"c1ccc2c(c1)ccc3nc4c(ccc5ccccc45)cc23","226-36-8","c1ccc2c(c1)ccc1nc3c(ccc4ccccc43)cc12","c1cc2c(cc1)c3c(cc2)nc4c5c(ccc4c3)cccc5",{"$nulls":4},279.10479941600033,"?"]
[1665,"c1ccc2c(c1)cnc3ccccc23","229-87-8","c1ccc2c(c1)cnc1ccccc12","c1cc2c(cc1)c3c(nc2)cccc3",{"$nulls":4},179.073499288,"?"]
[1666,"c1cnc2c(c1)ccc3ncccc23","230-46-6","c1cnc2c(c1)ccc1ncccc12","c1cc2c(nc1)c3c(cc2)nccc3",{"$nulls":4},180.068748256,"?"]
[1667,"C1c2ccccc2c3ccc4ccccc4c13","238-84-6","c1ccc2c(c1)Cc1c-2ccc2ccccc12","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4",{"$nulls":4},216.093900384,"?"]
[1668,"[nH]1c2c3ccccc3ccc2c4ccc5ccccc5c14","239-64-5","c1ccc2c(c1)ccc1c3ccc4ccccc4c3[nH]c21","c1cc2c(cc1)c3c(cc2)c4c(c5c(cc4)cccc5)[nH]3",{"$nulls":4},267.10479941600033,"?"]
[1669,"C1c2ccccc2c3cc4ccccc4cc13","243-17-4","c1ccc2c(c1)Cc1cc3ccccc3cc1-2","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3",{"$nulls":4},216.093900384,"?"]
[1670,"c1ccc2cnncc2c1","253-52-1","c1ccc2cnncc2c1","c1cc2c(cc1)cnnc2",{"$nulls":4},130.053098192,"?"]
[1671,"c1ccc2nc3ccccc3cc2c1","260-94-6","c1ccc2nc3ccccc3cc2c1","c1cc2c(cc1)nc3c(cccc3)c2",{"$nulls":4},179.073499288,"?"]
[1672,"O1c2ccccc2Oc3ccccc13","262-12-4","c1ccc2c(c1)Oc1ccccc1O2","c1cc2c(cc1)Oc3c(O2)cccc3",{"$nulls":4},184.052429496,"?"]
[1673,"[nH]1ncc2ccccc12","271-44-3","c1ccc2[nH]ncc2c1","c1cc2c(cc1)[nH]nc2",{"$nulls":4},118.053098192,"?"]
[1674,"[nH]1nnc2ncncc12","273-40-5","c1ncc2[nH]nnc2n1","c1nc2c(cn1)[nH]nn2",{"$nulls":4},121.038845096,"?"]
[1675,"o1cnc2ccccc12","273-53-0","c1ccc2ocnc2c1","c1cc2c(cc1)ocn2",{"$nulls":4},119.03711378,"?"]
[1676,null,"280-57-9",{"$nulls":7},""]
[1677,"C1CCCC1","287-92-3","C1CCCC1","C1CCCC1",{"$nulls":4},70.07825032,"?"]
[1678,"[nH]1cccn1","288-13-1","c1cn[nH]c1","c1c[nH]nc1",{"$nulls":4},68.037448128,"?"]
[1679,null,"288-14-2",{"$nulls":7},""]
[1680,"s1ccnn1","288-48-2","c1csnn1","c1nnsc1",{"$nulls":4},85.993869064,"?"]
[1681,"c1ccnnc1","289-80-5","c1ccnnc1","c1cnncc1",{"$nulls":4},80.037448128,"?"]
[1682,"c1cncnc1","289-95-2","c1cncnc1","c1cncnc1",{"$nulls":4},80.037448128,"?"]
[1683,"C1CCCCCC1","291-64-5","C1CCCCCC1","C1CCCCCC1",{"$nulls":4},98.109550448,"?"]
[1684,"C1CCCCCCC1","292-64-8","C1CCCCCCC1","C1CCCCCCC1",{"$nulls":4},112.12520051199999,"?"]
[1685,"CCO[P](=S)(OCC)Oc1cnccn1","297-97-2","CCOP(=S)(OCC)Oc1cnccn1","CCOP(=S)(OCC)Oc1nccnc1",{"$nulls":4},248.03844990599998,"?"]
[1686,"CCN(CC)C(=O)C(Cl)=C(C)O[P](=O)(OC)OC","297-99-4","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC",{"$nulls":4},299.0689370180005,"?"]
[1687,"CO[P](=S)(OC)Oc1ccc(cc1)[N+]([O-])=O","298-00-0","COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1","COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},263.00173005000016,"?"]
[1688,"COC(=O)C=C(C)O[P](=O)(OC)OC","298-01-1","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",{"$nulls":4},224.044974766,"?"]
[1689,"CCO[P](=S)(OCC)SCSCC","298-02-2","CCOP(=S)(OCC)SCSCC","CCOP(=S)(OCC)SCSCC",{"$nulls":4},260.01282941400007,"?"]
[1690,"CCO[P](=S)(OCC)OCCSCC","298-03-3","CCOP(=S)(OCC)OCCSCC","CCOP(=S)(OCC)OCCSCC",{"$nulls":4},258.05132309800007,"?"]
[1691,"CCO[P](=S)(OCC)SCCSCC","298-04-4","CCOP(=S)(OCC)SCCSCC","CCOP(=S)(OCC)SCCSCC",{"$nulls":4},274.02847947800046,"?"]
[1692,"C1OC1C2CO2","298-18-0","C1OC1C1CO1","C1C(O1)C2OC2",{"$nulls":4},86.036779432,"?"]
[1693,"NC(=O)N1c2ccccc2C=Cc3ccccc13","298-46-4","NC(=O)N1c2ccccc2C=Cc2ccccc21","NC(=O)N1c2c(C=Cc3c1cccc3)cccc2",{"$nulls":4},236.094963004,"?"]
[1694,"C1CN(CCN1CC=Cc2ccccc2)C(c3ccccc3)c4ccccc4","298-57-7","C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1","C(=Cc1ccccc1)CN2CCN(CC2)C(c3ccccc3)c4ccccc4",{"$nulls":4},368.2252488960008,"?"]
[1695,"COc1c2occc2cc3C=CC(=O)Oc13","298-81-7","COc1c2occc2cc2ccc(=O)oc12","COc1c2c(cc3c1occ3)ccc(=O)o2",{"$nulls":4},216.042258736,"?"]
[1696,"O[S](O)(=O)=O.C1CCN2CC3CC(CN4CCCCC34)C2C1","299-39-8","C1CCN2CC3CC(CN4CCCCC34)C2C1","C1CC2N(CC1)CC3C4N(CC2C3)CCCC4","OS(O)(=O)=O",{"$nulls":3},332.17697837599997,"?"]
[1697,null,"299-42-3",{"$nulls":7},""]
[1698,"CO[P](=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl","299-84-3","COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},319.89973478600024,"?"]
[1699,"C[CH]1C[CH]2[CH](CC[C]3(C)[CH]2CC[C]3(OC(C)=O)C(C)=O)[C]4(C)CCC(=O)C=C14","299-85-4","CC(=O)OC1(C(C)=O)CCC2C3CC(C)C4=CC(=O)CCC4(C)C3CCC21C","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(C3)C)=CC(=O)CC4)C)CC2)C)C(C)=O",{"$nulls":4},386.2457095680009,"?"]
[1700,"CN[P](=O)(OC)Oc1ccc(cc1Cl)C(C)(C)C","299-86-5","CNP(=O)(OC)Oc1ccc(C(C)(C)C)cc1Cl","CNP(=O)(OC)Oc1c(cc(cc1)C(C)(C)C)Cl",{"$nulls":4},291.07910777800055,"?"]
[1701,"OCC[NH2+]CCO.[O-]C(=O)CN1C=C(I)C(=O)C(=C1)I","300-37-8","O=C([O-])Cn1cc(I)c(=O)c(I)c1","O=C(O)Cn1cc(c(c(c1)I)=O)I","OCC[NH2+]CCO",{"$nulls":3},509.9148676120001,"Structure has been neutralized"]
[1702,"N[CH](Cc1cc(Br)c(O)c(Br)c1)C(O)=O","300-38-9","NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)O","NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O",{"$nulls":4},336.8949173480002,"?"]
[1703,"N[CH](Cc1cc(I)c(O)c(I)c1)C(O)=O","300-39-0","NC(Cc1cc(I)c(O)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O",{"$nulls":4},432.8671891480002,"?"]
[1704,"CO[P](=O)(OC)OC(Br)C(Cl)(Cl)Br","300-76-5","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br",{"$nulls":4},377.78257489400016,"?"]
[1705,"CC[S](=O)CCS[P](=O)(OC)OC","301-12-2","CCS(=O)CCSP(=O)(OC)OC","CCS(=O)CCSP(=O)(OC)OC",{"$nulls":4},246.01493759,"?"]
[1706,"NN","302-01-2","NN","NN",{"$nulls":4},32.037448128,"?"]
[1707,null,"302-17-0",{"$nulls":7},""]
[1708,"CCN1C[C]2(COC)[CH](O)C[CH](OC)[C]34[CH]5C[C]6(O)[CH](OC)[CH](O)[C](OC(C)=O)([CH]([CH](OC)[CH]23)C14)[CH]5[CH]6OC(=O)c7ccccc7","302-27-2","CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14","CCN1C2C34C(CC(C(C1)(C3C(C2C5(C(C(C6(CC4C5C6OC(=O)c7ccccc7)O)OC)O)OC(C)=O)OC)COC)O)OC",{"$nulls":4},645.3149113240012,"?"]
[1709,"CCC(C)(OC(N)=O)C#C","302-66-9","C#CC(C)(CC)OC(N)=O","C#CC(C)(CC)OC(N)=O",{"$nulls":4},141.078978592,"?"]
[1710,"C[CH](N)C(O)=O","302-72-7","CC(N)C(=O)O","CC(N)C(=O)O",{"$nulls":4},89.047678464,"?"]
[1711,"NC(CO)C(O)=O","302-84-1","NC(CO)C(=O)O","NC(CO)C(=O)O",{"$nulls":4},105.042593084,"?"]
[1712,"OC(=O)c1c(O)cccc1O","303-07-1","O=C(O)c1c(O)cccc1O","O=C(O)c1c(cccc1O)O",{"$nulls":4},154.026608672,"?"]
[1713,"[Na+].[K+].OC(C(O)C([O-])=O)C([O-])=O","304-59-6","O=C([O-])C(O)C(O)C(=O)[O-]","O=C(O)C(O)C(O)C(=O)O","[K+]","[Na+]",null,null,209.954263808,"Structure has been neutralized"]
[1714,null,"306-23-0",{"$nulls":7},""]
[1715,"FC(F)(F)C(Cl)Cl","306-83-2","FC(F)(F)C(Cl)Cl","FC(F)(F)C(Cl)Cl",{"$nulls":4},151.940740052,"?"]
[1716,"ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl","309-00-2","ClC1=C(Cl)C2(Cl)C3C4C=CC(C4)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4CC3C=C4)Cl",{"$nulls":4},361.8757163360002,"?"]
[1717,"CCO[P](=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O","311-45-5","CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1","CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},275.0558737980004,"?"]
[1718,"CCO[P](=O)(OCC)OC=CCl","311-47-7","CCOP(=O)(OC=CCl)OCC","CCOP(=O)(OC=CCl)OCC",{"$nulls":4},214.016173174,"?"]
[1719,"N[CH](CO)C(O)=O","312-84-5","NC(CO)C(=O)O","NC(CO)C(=O)O",{"$nulls":4},105.042593084,"?"]
[1720,"CCC(C)N1C(=O)NC(=C(Br)C1=O)C","314-40-9","CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O","CCC(C)n1c(c(c([nH]c1=O)C)Br)=O",{"$nulls":4},260.0160397560001,"?"]
[1721,"CC(C)N1C(=O)NC(=C(Br)C1=O)C","314-42-1","Cc1[nH]c(=O)n(C(C)C)c(=O)c1Br","Cc1c(c(n(c([nH]1)=O)C(C)C)=O)Br",{"$nulls":4},246.000389692,"?"]
[1722,"CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1","315-18-4","CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1","CNC(=O)Oc1cc(c(c(c1)C)N(C)C)C",{"$nulls":4},222.136827816,"?"]
[1723,"O=C1N=CN=C2NNC=C12","315-30-0","O=c1ncnc2[nH][nH]cc1-2","O=c1c2-c(ncn1)[nH][nH]c2",{"$nulls":4},136.038510748,"?"]
[1724,"CC[CH](C)[CH](N)C(O)=O","319-78-8","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[1725,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","319-84-6","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},287.86006627200015,"?"]
[1726,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","319-85-7","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},287.86006627200015,"?"]
[1727,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","319-86-8","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},287.86006627200015,"?"]
[1728,"OC(=O)c1cc(Cl)ccc1O","321-14-2","O=C(O)c1cc(Cl)ccc1O","O=C(O)c1c(ccc(c1)Cl)O",{"$nulls":4},171.9927217,"?"]
[1729,"Fc1cccc2ccccc12","321-38-0","Fc1cccc2ccccc12","Fc1c2c(ccc1)cccc2",{"$nulls":4},146.053178444,"?"]
[1730,"CC(=O)Nc1ccc(F)cc1C","326-65-8","CC(=O)Nc1ccc(F)cc1C","CC(=O)Nc1c(cc(cc1)F)C",{"$nulls":4},167.07464216,"?"]
[1731,"CC(=O)Nc1ccc(C)cc1F","326-67-0","CC(=O)Nc1ccc(C)cc1F","CC(=O)Nc1c(cc(cc1)C)F",{"$nulls":4},167.07464216,"?"]
[1732,"Fc1cc(F)c(F)cc1F","327-54-8","Fc1cc(F)c(F)cc1F","Fc1c(cc(c(c1)F)F)F",{"$nulls":4},150.009262944,"?"]
[1733,null,"327-57-1",{"$nulls":7},""]
[1734,"O[CH]1C[C](O)(C[CH](OC(=O)C=Cc2ccc(O)c(O)c2)[CH]1O)C(O)=O","327-97-9","O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O","O=C(C=Cc1cc(c(cc1)O)O)OC2C(C(CC(C2)(O)C(=O)O)O)O",{"$nulls":4},354.09508215600044,"?"]
[1735,"CCO[P](=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl","327-98-0","CCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl","CCOP(=S)(CC)Oc1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},331.9361202940003,"?"]
[1736,"CC(C)C[CH](N)C(O)=O","328-39-2","CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[1737,"Oc1cc(ccc1[N+]([O-])=O)[N+]([O-])=O","329-71-5","O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1","O=[N+]([O-])c1cc(c(cc1)[N+](=O)[O-])O",{"$nulls":4},184.012021228,"?"]
[1738,"C[P](F)(=O)OC1CCCCC1","329-99-7","CP(=O)(F)OC1CCCCC1","CP(=O)(F)OC1CCCCC1",{"$nulls":4},180.071544538,"?"]
[1739,"CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1","330-54-1","CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CN(C)C(=O)Nc1cc(c(cc1)Cl)Cl",{"$nulls":4},232.0170183,"?"]
[1740,"CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1","330-55-2","CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CON(C)C(=O)Nc1cc(c(cc1)Cl)Cl",{"$nulls":4},248.01193292,"?"]
[1741,"CCO[P](=S)(OCC)Oc1cc(C)nc(n1)C(C)C","333-41-5","CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1","CCOP(=S)(OCC)Oc1nc(nc(c1)C)C(C)C",{"$nulls":4},304.10105016200055,"?"]
[1742,"CCCCCCCCCC(O)=O","334-48-5","CCCCCCCCCC(=O)O","CCCCCCCCCC(=O)O",{"$nulls":4},172.14632988,"?"]
[1743,"C[CH](N)C(O)=O","338-69-2","CC(N)C(=O)O","CC(N)C(=O)O",{"$nulls":4},89.047678464,"?"]
[1744,"CCCCNC(=O)N[S](=O)(=O)c1ccc(N)cc1","339-43-5","CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},271.0990624040004,"?"]
[1745,"Fc1ccccc1CCl","345-35-7","Fc1ccccc1CCl","Fc1c(cccc1)CCl",{"$nulls":4},144.014206092,"?"]
[1746,"Fc1ccccc1Cl","348-51-6","Fc1ccccc1Cl","Fc1c(cccc1)Cl",{"$nulls":4},129.998556028,"?"]
[1747,"Fc1ccc(CCl)cc1","352-11-4","Fc1ccc(CCl)cc1","Fc1ccc(cc1)CCl",{"$nulls":4},144.014206092,"?"]
[1748,"Fc1ccc(I)cc1","352-34-1","Fc1ccc(I)cc1","Fc1ccc(cc1)I",{"$nulls":4},221.934176348,"?"]
[1749,"CCSCC","352-93-2","CCSCC","CCSCC",{"$nulls":4},90.05032132,"?"]
[1750,"NC(=N)NCC(O)=O","352-97-6","N=C(N)NCC(=O)O","N=C(N)NCC(=O)O",{"$nulls":4},117.053826464,"?"]
[1751,"CCF","353-36-6","CCF","CCF",{"$nulls":4},48.03752838,"?"]
[1752,"COc1cc2N3[CH]4[CH]5[CH](CC3=O)OCC=C6CN7CC[C]4([CH]7C[CH]56)c2cc1OC","357-57-3","COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43","COc1c(cc2c(c1)N3C(CC4OCC=C5CN6CCC27C3C4C5CC76)=O)OC",{"$nulls":4},394.18925731200073,"?"]
[1753,"CC(CCCNCC(O)=O)C1CCC2C3CC[CH]4C[CH](O)CC[C]4(C)C3C[CH](O)[C]12C","360-65-6","CC(CCCNCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCCNCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C",{"$nulls":4},435.33485892000124,"?"]
[1754,null,"363-67-7",{"$nulls":7},""]
[1755,"CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC","364-62-5","CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC","CCN(CC)CCNC(=O)c1c(cc(c(c1)Cl)N)OC",{"$nulls":4},299.1400546240006,"?"]
[1756,"c1ccc(nc1)c2ccccn2","366-18-7","c1ccc(-c2ccccn2)nc1","c1cnc(cc1)-c2ncccc2",{"$nulls":4},156.068748256,"?"]
[1757,"Fc1ccccc1F","367-11-3","Fc1ccccc1F","Fc1c(cccc1)F",{"$nulls":4},114.028106568,"?"]
[1758,"Cn1cncc1C[CH](N)C(O)=O","368-16-1","Cn1cncc1CC(N)C(=O)O","Cn1c(cnc1)CC(N)C(=O)O",{"$nulls":4},169.085126592,"?"]
[1759,"F[P-](F)(F)(F)(F)F.N#[N+]c1ccccc1","369-58-4","F[P-](F)(F)(F)(F)F","F[P-](F)(F)(F)(F)F","N#[N+]c1ccccc1",{"$nulls":3},250.00945411,"?"]
[1760,"OCCF","371-62-0","OCCF","OCCF",{"$nulls":4},64.032443,"?"]
[1761,"CC(C)N[P](F)(=O)NC(C)C","371-86-8","CC(C)NP(=O)(F)NC(C)C","CC(C)NP(=O)(F)NC(C)C",{"$nulls":4},182.098427982,"?"]
[1762,"Fc1cccc(F)c1","372-18-9","Fc1cccc(F)c1","Fc1cc(ccc1)F",{"$nulls":4},114.028106568,"?"]
[1763,null,"372-31-6",{"$nulls":7},""]
[1764,"CC(O)C(F)(F)F","374-01-6","CC(O)C(F)(F)F","CC(O)C(F)(F)F",{"$nulls":4},114.02924944,"?"]
[1765,"FC(F)(F)C(F)(Cl)Cl","374-07-2","FC(F)(F)C(F)(Cl)Cl","FC(F)(F)C(F)(Cl)Cl",{"$nulls":4},169.93131824,"?"]
[1766,"C[CH]1C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]2(C)[C]1(O)C(=O)CO","378-44-9","CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",{"$nulls":4},392.19990224800074,"?"]
[1767,"CCC1(C(=O)NC(=O)NC1=O)c2ccc(O)cc2","379-34-0","CCC1(c2ccc(O)cc2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)c2ccc(cc2)O",{"$nulls":4},248.079706864,"?"]
[1768,"[F-].c1ccc(cc1)[Sn+](c2ccccc2)c3ccccc3","379-52-2","c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1","c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1","[F-]",{"$nulls":3},370.0179734000004,"Errors in neutralization"]
[1769,"OC(=O)C(F)F","381-73-7","O=C(O)C(F)F","O=C(O)C(F)F",{"$nulls":4},96.002285744,"?"]
[1770,null,"382-45-6",{"$nulls":7},""]
[1771,"CCN1C=C(C(O)=O)C(=O)c2ccc(C)nc12","389-08-2","CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21","CCn1c2c(c(c(c1)C(=O)O)=O)ccc(C)n2",{"$nulls":4},232.084792244,"?"]
[1772,"CCCc1cc(F)ccc1O","398-88-9","CCCc1cc(F)ccc1O","CCCc1c(ccc(c1)F)O",{"$nulls":4},154.079393192,"?"]
[1773,"NC(=O)N(CCO)N=Cc1oc(cc1)[N+]([O-])=O","405-22-1","NC(=O)N(CCO)N=Cc1ccc([N+](=O)[O-])o1","NC(=O)N(CCO)N=Cc1oc(cc1)[N+](=O)[O-]",{"$nulls":4},242.06511942,"?"]
[1774,"FC(F)(F)COC=C","406-90-6","C=COCC(F)(F)F","C=COCC(F)(F)F",{"$nulls":4},126.02924944,"?"]
[1775,"NC#N","420-04-2","N#CN","N#CN",{"$nulls":4},42.021798063999995,"?"]
[1776,"C[CH]1C[CH]2[CH]3CC[C](O)(C(C)=O)[C]3(C)C[CH](O)[C]2(F)[C]4(C)C=CC(=O)C=C14","426-13-1","CC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(C3)C)=CC(=O)C=C4)C)(F)C(O)C2)C)O",{"$nulls":4},376.20498762800077,"?"]
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[1789,"CCC(C)C(N)C(O)=O","443-79-8","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[1790,"OC(=O)c1ccccc1F","445-29-4","O=C(O)c1ccccc1F","O=C(O)c1c(cccc1)F",{"$nulls":4},140.02735762,"?"]
[1791,"Oc1cc(F)ccc1[N+]([O-])=O","446-36-6","O=[N+]([O-])c1ccc(F)cc1O","O=[N+]([O-])c1c(cc(cc1)F)O",{"$nulls":4},157.017521208,"?"]
[1792,"OC(=O)Cc1cc(O)ccc1O","451-13-8","O=C(O)Cc1cc(O)ccc1O","O=C(O)Cc1c(ccc(c1)O)O",{"$nulls":4},168.042258736,"?"]
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[1795,"OC1CCOC1","453-20-3","OC1CCOC1","OC1COCC1",{"$nulls":4},88.052429496,"?"]
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[1799,"Fc1cccc(CCl)c1","456-42-8","Fc1cccc(CCl)c1","Fc1cc(ccc1)CCl",{"$nulls":4},144.014206092,"?"]
[1800,"CCCC1CCCCN1","458-88-8","CCCC1CCCCN1","CCCC1NCCCC1",{"$nulls":4},127.13609954399999,"?"]
[1801,"C#CC#C","460-12-8","C#CC#C","C#CC#C",{"$nulls":4},50.015650064,"?"]
[1802,"COCC(F)F","461-57-4","COCC(F)F","COCC(F)F",{"$nulls":4},96.038671252,"?"]
[1803,"NC(N)=NC#N","461-58-5","N#CN=C(N)N","N#CN=C(N)N",{"$nulls":4},84.04359612799999,"?"]
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[1807,"Fc1ccccc1","462-06-6","Fc1ccccc1","Fc1ccccc1",{"$nulls":4},96.03752838,"?"]
[1808,"Nc1cccnc1","462-08-8","Nc1cccnc1","Nc1cnccc1",{"$nulls":4},94.053098192,"?"]
[1809,"NC(=O)NCC(O)=O","462-60-2","NC(=O)NCC(=O)O","NC(=O)NCC(=O)O",{"$nulls":4},118.037842052,"?"]
[1810,"NC(=O)NCCC(O)=O","462-88-4","NC(=O)NCCC(=O)O","NC(=O)NCCC(=O)O",{"$nulls":4},132.053492116,"?"]
[1811,"CCOCOCC","462-95-3","CCOCOCC","CCOCOCC",{"$nulls":4},104.083729624,"?"]
[1812,"CC(C)(C)C","463-82-1","CC(C)(C)C","CC(C)(C)C",{"$nulls":4},72.093900384,"?"]
[1813,"CC(O)C(C)(C)C","464-07-3","CC(O)C(C)(C)C","CC(O)C(C)(C)C",{"$nulls":4},102.104465068,"?"]
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[1817,null,"464-88-0",{"$nulls":7},""]
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[1821,null,"467-98-1",{"$nulls":7},""]
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[1823,null,"470-64-4",{"$nulls":7},""]
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[1827,"CNC(N)=N","471-29-4","CNC(=N)N","CNC(=N)N",{"$nulls":4},73.06399722399999,"?"]
[1828,"NC(=O)C(N)=O","471-46-5","NC(=O)C(N)=O","NC(=O)C(N)=O",{"$nulls":4},88.027277368,"?"]
[1829,null,"473-18-7",{"$nulls":7},""]
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[1832,null,"473-35-8",{"$nulls":7},""]
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[1863,null,"486-64-6",{"$nulls":7},""]
[1864,"CN1C[CH]2C[CH](C1)C3=CC=CC(=O)N3C2","486-86-2","CN1CC2CC(C1)c1cccc(=O)n1C2","CN1CC2CC(C1)Cn3c2cccc3=O",{"$nulls":4},204.126263132,"?"]
[1865,"O=C1NC(=O)c2nccnc2N1","487-21-8","O=c1[nH]c(=O)c2nccnc2[nH]1","O=c1[nH]c2c(c([nH]1)=O)nccn2",{"$nulls":4},164.033425368,"?"]
[1866,"COc1ccc(cc1OC)[CH]2OC[CH]3[CH]2CO[CH]3c4ccc(O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)c(OC)c4","487-41-2","COc1ccc(C2OCC3C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)cc1OC","COc1c(cc(cc1)C2C3C(CO2)C(c4cc(c(cc4)OC5C(C(C(C(O5)CO)O)O)O)OC)OC3)OC",{"$nulls":4},534.2101119080007,"?"]
[1867,null,"487-65-0",{"$nulls":7},""]
[1868,"OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)CO","488-38-0","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",{"$nulls":4},212.089602852,"?"]
[1869,"OC1C(O)C(O)C(O)C(O)C1O","488-59-5","OC1C(O)C(O)C(O)C(O)C1O","OC1C(C(C(C(C1O)O)O)O)O",{"$nulls":4},180.063388104,"?"]
[1870,"O[CH]1C[CH](O)[CH](O)C(O)[CH]1O","488-73-3","OC1CC(O)C(O)C(O)C1O","OC1C(C(C(C(C1)O)O)O)O",{"$nulls":4},164.068473484,"?"]
[1871,"CC(C)c1ccc(C)c2ccc(C)c2c1","489-84-9","Cc1ccc(C(C)C)cc2c(C)ccc1-2","Cc1c2-c(cc(cc1)C(C)C)c(C)cc2",{"$nulls":4},198.140850576,"?"]
[1872,"OC(=O)c1ccncc1C(O)=O","490-11-9","O=C(O)c1ccncc1C(=O)O","O=C(O)c1c(cncc1)C(=O)O",{"$nulls":4},167.02185764,"?"]
[1873,"OC(=O)c1cc2OCOc2cc1C(O)=O","490-26-6","O=C(O)c1cc2c(cc1C(=O)O)OCO2","O=C(O)c1c(cc2c(c1)OCO2)C(=O)O",{"$nulls":4},210.01643791200001,"?"]
[1874,null,"490-58-4",{"$nulls":7},""]
[1875,"COC(=O)c1ccccc1OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O","490-67-5","COC(=O)c1ccccc1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O","COC(=O)c1c(cccc1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O",{"$nulls":4},446.1424262720006,"?"]
[1876,"OC(=O)c1cc(O)ccc1O","490-79-9","O=C(O)c1cc(O)ccc1O","O=C(O)c1c(ccc(c1)O)O",{"$nulls":4},154.026608672,"?"]
[1877,"O=C1NC=Cc2ccccc12","491-30-5","O=c1[nH]ccc2ccccc12","O=c1c2c(cc[nH]1)cccc2",{"$nulls":4},145.052763844,"?"]
[1878,"Cc1cc(O)c2C(=O)c3c(O)cccc3Cc2c1","491-59-8","Cc1cc(O)c2c(c1)Cc1cccc(O)c1C2=O","Cc1cc2c(c(c1)O)C(c3c(C2)cccc3O)=O",{"$nulls":4},240.078644244,"?"]
[1879,"NC1=NC(=O)C2=C(N1)NC(=O)C(=O)N2","492-11-5","Nc1nc(=O)c2[nH]c(=O)c(=O)[nH]c2[nH]1","Nc1[nH]c2c(c(n1)=O)[nH]c(=O)c(=O)[nH]2",{"$nulls":4},195.03923902,"?"]
[1880,"O|[Hg]CC(CNC(=O)c1ccccc1OCC([O-])=O)OC.[Na+]","492-18-2",{"$nulls":7},""]
[1881,"OC(=O)C(=C)c1ccccc1","492-38-6","C=C(C(=O)O)c1ccccc1","C=C(C(=O)O)c1ccccc1",{"$nulls":4},148.052429496,"?"]
[1882,"CC(N)C(O)c1ccccc1","492-39-7","CC(N)C(O)c1ccccc1","CC(N)C(O)c1ccccc1",{"$nulls":4},151.099714036,"?"]
[1883,"OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O","492-62-6","OCC1OC(O)C(O)C(O)C1O","OCC1C(C(C(C(O1)O)O)O)O",{"$nulls":4},180.063388104,"?"]
[1884,"OC(C(O)c1ccccc1)c2ccccc2","492-70-6","OC(c1ccccc1)C(O)c1ccccc1","OC(c1ccccc1)C(O)c2ccccc2",{"$nulls":4},214.099379688,"?"]
[1885,"O=C1CC(CC(=O)C1)c2ccccc2","493-72-1","O=C1CC(=O)CC(c2ccccc2)C1","O=C1CC(CC(C1)=O)c2ccccc2",{"$nulls":4},188.083729624,"?"]
[1886,"CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C","494-38-2","CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1","CN(C)c1cc2c(cc1)cc3c(cc(cc3)N(C)C)n2",{"$nulls":4},265.15789760800027,"?"]
[1887,"C1CCC(NC1)c2cccnc2","494-52-0","c1cncc(C2CCCCN2)c1","c1cc(cnc1)C2NCCCC2",{"$nulls":4},162.115698448,"?"]
[1888,"OCc1cc(O)ccc1O","495-08-9","OCc1cc(O)ccc1O","OCc1c(ccc(c1)O)O",{"$nulls":4},140.047344116,"?"]
[1889,"OC(=O)CNC(=O)c1ccccc1","495-69-2","O=C(O)CNC(=O)c1ccccc1","O=C(O)CNC(=O)c1ccccc1",{"$nulls":4},179.058243148,"?"]
[1890,"O=Nc1ccc(NNC(=O)c2ccccc2)cc1","495-73-8","O=Nc1ccc(NNC(=O)c2ccccc2)cc1","O=Nc1ccc(cc1)NNC(=O)c2ccccc2",{"$nulls":4},241.085126592,"?"]
[1891,"O=C(NNC=C1C=CC=CC1=O)c2ccncc2","495-84-1","O=C1C=CC=CC1=CNNC(=O)c1ccncc1","O=C1C(C=CC=C1)=CNNC(=O)c2ccncc2",{"$nulls":4},241.085126592,"?"]
[1892,"C1Cc2ccccc2C1","496-11-7","c1ccc2c(c1)CCC2","c1cc2c(cc1)CCC2",{"$nulls":4},118.07825032,"?"]
[1893,"C1Cc2ccccc2N1","496-15-1","c1ccc2c(c1)CCN2","c1cc2c(cc1)NCC2",{"$nulls":4},119.073499288,"?"]
[1894,"CC=C(C)C=O","497-03-0","CC=C(C)C=O","CC=C(C)C=O",{"$nulls":4},84.057514876,"?"]
[1895,"CC1OCCO1","497-26-7","CC1OCCO1","CC1OCCO1",{"$nulls":4},88.052429496,"?"]
[1896,"O=C1CC2CCC1C2","497-38-1","O=C1CC2CCC1C2","O=C1C2CCC(C1)C2",{"$nulls":4},110.07316494,"?"]
[1897,null,"497-58-5",{"$nulls":7},""]
[1898,"OC(=O)C1=CC(=O)C(=C(O1)C(O)=O)O","497-59-6","O=C(O)c1cc(=O)c(O)c(C(=O)O)o1","O=C(O)c1oc(c(c(c1)=O)O)C(=O)O",{"$nulls":4},199.99570246800002,"?"]
[1899,"COc1cc(ccc1O)C(C)=O","498-02-2","COc1cc(C(C)=O)ccc1O","COc1c(ccc(c1)C(C)=O)O",{"$nulls":4},166.06299418,"?"]
[1900,"CCC[CH](N)C(O)=O","498-18-0","CCCC(N)C(=O)O","CCCC(N)C(=O)O",{"$nulls":4},117.078978592,"?"]
[1901,"CC(CC(O)=O)C(O)=O","498-21-5","CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O",{"$nulls":4},132.042258736,"?"]
[1902,"CC(=CC(O)=O)C(O)=O","498-23-7","CC(=CC(=O)O)C(=O)O","CC(=CC(=O)O)C(=O)O",{"$nulls":4},130.026608672,"?"]
[1903,"CC(=CC(O)=O)C(O)=O","498-24-8","CC(=CC(=O)O)C(=O)O","CC(=CC(=O)O)C(=O)O",{"$nulls":4},130.026608672,"?"]
[1904,"CC1=CC[CH](CC1O)C(C)(C)O","498-71-5","CC1=CCC(C(C)(C)O)CC1O","CC=1C(CC(CC1)C(C)(C)O)O",{"$nulls":4},170.130679816,"?"]
[1905,"OC(=O)CC(=CC(O)=O)C(O)=O","499-12-7","O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O",{"$nulls":4},174.01643791200001,"?"]
[1906,"CC(C)C1=CC(=O)C(C)CC1","499-74-1","CC(C)C1=CC(=O)C(C)CC1","CC(C)C=1CCC(C(C1)=O)C",{"$nulls":4},152.120115132,"?"]
[1907,"CC(C)c1ccc(C)c(O)c1","499-75-2","Cc1ccc(C(C)C)cc1O","Cc1c(cc(cc1)C(C)C)O",{"$nulls":4},150.104465068,"?"]
[1908,"OC(=O)c1ccnc(c1)C(O)=O","499-80-9","O=C(O)c1ccnc(C(=O)O)c1","O=C(O)c1cc(ncc1)C(=O)O",{"$nulls":4},167.02185764,"?"]
[1909,"OC(=O)c1cncc(c1)C(O)=O","499-81-0",null,null,"OC(=O)c1cncc(c1)C(O)=O",{"$nulls":3},751.7112375480002,"?"]
[1910,"OC(=O)c1cccc(n1)C(O)=O","499-83-2","O=C(O)c1cccc(C(=O)O)n1","O=C(O)c1nc(ccc1)C(=O)O",{"$nulls":4},167.02185764,"?"]
[1911,null,"500-28-7",{"$nulls":7},""]
[1912,"CC1CC(CC(C)(C)N1)OC(=O)c2ccccc2","500-34-5","CC1CC(OC(=O)c2ccccc2)CC(C)(C)N1","CC1NC(CC(C1)OC(=O)c2ccccc2)(C)C",{"$nulls":4},247.157228912,"?"]
[1913,"OC(=O)C(=O)Nc1ccccc1","500-72-1","O=C(O)C(=O)Nc1ccccc1","O=C(O)C(=O)Nc1ccccc1",{"$nulls":4},165.042593084,"?"]
[1914,"OC(=O)CNC(=O)Cc1ccccc1","500-98-1","O=C(O)CNC(=O)Cc1ccccc1","O=C(O)CNC(=O)Cc1ccccc1",{"$nulls":4},193.073893212,"?"]
[1915,"OC(=O)CCc1ccccc1","501-52-0","O=C(O)CCc1ccccc1","O=C(O)CCc1ccccc1",{"$nulls":4},150.06807956,"?"]
[1916,"ClCCC(=O)NCc1ccccc1","501-68-8","O=C(CCCl)NCc1ccccc1","O=C(CCCl)NCc1ccccc1",{"$nulls":4},197.060741684,"?"]
[1917,"OC(=O)Cc1ccc(cc1)C(O)=O","501-89-3","O=C(O)Cc1ccc(C(=O)O)cc1","O=C(O)Cc1ccc(cc1)C(=O)O",{"$nulls":4},180.042258736,"?"]
[1918,null,"502-39-6",{"$nulls":7},""]
[1919,"NC(=O)NC(=O)C=CC(O)=O","502-45-4","NC(=O)NC(=O)C=CC(=O)O","NC(=O)NC(=O)C=CC(=O)O",{"$nulls":4},158.032756672,"?"]
[1920,"OC(=O)CCC(=O)C=CC(O)=O","502-51-2","O=C(O)C=CC(=O)CCC(=O)O","O=C(O)C=CC(=O)CCC(=O)O",{"$nulls":4},172.037173356,"?"]
[1921,"CCOC(=S)SSC(=S)OCC","502-55-6","CCOC(=S)SSC(=S)OCC","CCOC(=S)SSC(=S)OCC",{"$nulls":4},241.95636356,"?"]
[1922,"CCCCC(=O)CCCC","502-56-7","CCCCC(=O)CCCC","CCCCC(=O)CCCC",{"$nulls":4},142.135765196,"?"]
[1923,"C1COC1","503-30-0","C1COC1","C1COC1",{"$nulls":4},58.041864812,"?"]
[1924,"O[S](=O)(=O)C[S](O)(=O)=O","503-40-2","O=S(=O)(O)CS(=O)(=O)O","O=S(=O)(O)CS(=O)(=O)O",{"$nulls":4},175.94492984800002,"?"]
[1925,"CC=CC(O)=O.CC=CC(O)=O","503-64-0","CC=CC(=O)O","CC=CC(=O)O","CC=CC(O)=O",{"$nulls":3},172.073558864,"?"]
[1926,"CC(C)CC(O)=O","503-74-2","CC(C)CC(=O)O","CC(C)CC(=O)O",{"$nulls":4},102.06807956,"?"]
[1927,"Nc1ccncc1","504-24-5","Nc1ccncc1","Nc1ccncc1",{"$nulls":4},94.053098192,"?"]
[1928,"Nc1ccccn1","504-29-0","Nc1ccccn1","Nc1ncccc1",{"$nulls":4},94.053098192,"?"]
[1929,"C1CSCCS1","505-29-3","C1CSCCS1","C1SCCSC1",{"$nulls":4},120.006742256,"?"]
[1930,"C[S](=O)(=O)CCCN=C=S","505-34-0","CS(=O)(=O)CCCN=C=S","CS(=O)(=O)CCCN=C=S",{"$nulls":4},179.007470528,"?"]
[1931,"OC(=O)CCCCCCC(O)=O","505-48-6","O=C(O)CCCCCCC(=O)O","O=C(O)CCCCCCC(=O)O",{"$nulls":4},174.089208928,"?"]
[1932,"OC(=O)CCCCCCCCCCCC(O)=O","505-52-2","O=C(O)CCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCC(=O)O",{"$nulls":4},244.167459248,"?"]
[1933,"ClCCSCCCl","505-60-2","ClCCSCCCl","ClCCSCCCl",{"$nulls":4},157.972376616,"?"]
[1934,null,"505-70-4",{"$nulls":7},""]
[1935,"OC(=O)CCNCC(O)=O","505-72-6","O=C(O)CCNCC(=O)O","O=C(O)CCNCC(=O)O",{"$nulls":4},147.053157768,"?"]
[1936,null,"505-97-5",{"$nulls":7},""]
[1937,"ClC#N","506-77-4","N#CCl","N#CCl",{"$nulls":4},60.971926679999996,"?"]
[1938,"IC#N","506-78-5","N#CI","N#CI",{"$nulls":4},152.907547,"?"]
[1939,"CC(C)(C)Br","507-19-7","CC(C)(C)Br","CC(C)(C)Br",{"$nulls":4},135.988762388,"?"]
[1940,"CC(C)(C)Cl","507-20-0","CC(C)(C)Cl","CC(C)(C)Cl",{"$nulls":4},92.039277968,"?"]
[1941,"CC1(C)C2CCC1(C)C(O)C2","507-70-0","CC1(C)C2CCC1(C)C(O)C2","CC1(C2(CCC1CC2O)C)C",{"$nulls":4},154.135765196,"?"]
[1942,"CC(C)(C(O)=O)C(C)(CC(O)=O)C(O)=O","508-34-9","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O",{"$nulls":4},218.079038168,"?"]
[1943,"CC(C)(C)CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C","508-96-3","CC(C)(C)CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C","CC(C)(C)CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O",{"$nulls":4},460.2824890000011,"?"]
[1944,"[O-][N+](=O)C([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O","509-14-8","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},195.97161296000002,"Errors in neutralization"]
[1945,"CN1CCC23C4Oc5c(OCCN6CCOCC6)ccc(CC1C2C=CC4O)c35","509-67-1","CN1CCC23c4c5ccc(OCCN6CCOCC6)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5OCCN6CCOCC6)C(O)C=C3",{"$nulls":4},398.22055744000085,"?"]
[1946,"CCC1(C(=O)NC(=O)NC1=O)C2=CCCCCC2","509-86-4","CCC1(C2=CCCCCC2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCCC2",{"$nulls":4},250.131742436,"?"]
[1947,null,"509-87-5",{"$nulls":7},""]
[1948,"CCOC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2","510-15-6","CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1","CCOC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl",{"$nulls":4},324.03199966800037,"?"]
[1949,"CCC(CC)(C(O)=O)C(O)=O","510-20-3","CCC(CC)(C(=O)O)C(=O)O","CCC(CC)(C(=O)O)C(=O)O",{"$nulls":4},160.073558864,"?"]
[1950,"CCC(Br)(CC)C(N)=O","511-70-6","CCC(Br)(CC)C(N)=O","CCC(Br)(CC)C(N)=O",{"$nulls":4},193.010226104,"?"]
[1951,"CC1CCC2(OC1)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C","512-04-9","CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C","CC1COC2(CC1)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C",{"$nulls":4},414.31339520400115,"?"]
[1952,"CO[P](=O)(OC)OC","512-56-1","COP(=O)(OC)OC","COP(=O)(OC)OC",{"$nulls":4},140.02384539800002,"?"]
[1953,null,"512-60-7",{"$nulls":7},""]
[1954,"OC[CH]1O[CH](OC[CH]2O[CH](O[C]3(CO)O[CH](CO)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O","512-69-6","OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O",{"$nulls":4},504.1690349440007,"?"]
[1955,"CCCO[P](=O)(OCCC)OCCC","513-08-6","CCCOP(=O)(OCCC)OCCC","CCCOP(=O)(OCCC)OCCC",{"$nulls":4},224.117745782,"?"]
[1956,"CC=C(C)C","513-35-9","CC=C(C)C","CC=C(C)C",{"$nulls":4},70.07825032,"?"]
[1957,"CC(C)CCl","513-36-0","CC(C)CCl","CC(C)CCl",{"$nulls":4},92.039277968,"?"]
[1958,"CC(C)=CCl","513-37-1","CC(C)=CCl","CC(C)=CCl",{"$nulls":4},90.023627904,"?"]
[1959,"CC(=C)CO","513-42-8","C=C(C)CO","C=C(C)CO",{"$nulls":4},72.057514876,"?"]
[1960,"CCC(C)I","513-48-4","CCC(C)I","CCC(C)I",{"$nulls":4},183.974898288,"?"]
[1961,"CCC(C)S","513-53-1","CCC(C)S","CCC(C)S",{"$nulls":4},90.05032132,"?"]
[1962,"CC(=C)C(C)=C","513-81-5","C=C(C)C(=C)C","C=C(C)C(=C)C",{"$nulls":4},82.07825032,"?"]
[1963,"CC(O)C(C)O","513-85-9","CC(O)C(C)O","CC(O)C(C)O",{"$nulls":4},90.06807956,"?"]
[1964,"CC(O)C(C)=O","513-86-0","CC(=O)C(C)O","CC(=O)C(C)O",{"$nulls":4},88.052429496,"?"]
[1965,"CC(C)C1=CC2=CC[CH]3[C](C)(CCC[C]3(C)C(O)=O)[CH]2CC1","514-10-3","CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1","CC(C)C=1CCC2C(C1)=CCC3C2(CCCC3(C)C(=O)O)C",{"$nulls":4},302.22458020000084,"?"]
[1966,"C[C]12CCC(O)CC1CC[CH]3[CH]4CCC(=O)[C]4(C)CC(O)[CH]23","514-17-0","CC12CC(O)C3C(CCC4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(C(C1)O)C4(C(CC3)CC(O)CC4)C)CCC2=O",{"$nulls":4},306.2194948200008,"?"]
[1967,null,"515-30-0",{"$nulls":7},""]
[1968,"CCO[S](=O)(=O)c1ccccc1","515-46-8","CCOS(=O)(=O)c1ccccc1","CCOS(=O)(=O)c1ccccc1",{"$nulls":4},186.03506518,"?"]
[1969,"NC(=S)N[S](=O)(=O)c1ccc(N)cc1","515-49-1","NC(=S)NS(=O)(=O)c1ccc(N)cc1","NC(=S)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},231.013618528,"?"]
[1970,"Cc1csc(N[S](=O)(=O)c2ccc(N)cc2)n1","515-59-3","Cc1csc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(sc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},269.02926859200034,"?"]
[1971,"Cc1cc(N[S](=O)(=O)c2ccc(N)cc2)nc(C)n1","515-64-0","Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1","Cc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C",{"$nulls":4},278.0837466880004,"?"]
[1972,"CC(C(O)=O)C(O)=O","516-05-2","CC(C(=O)O)C(=O)O","CC(C(=O)O)C(=O)O",{"$nulls":4},118.02660867200001,"?"]
[1973,"CC(C)C(N)C(O)=O","516-06-3","CC(C)C(N)C(=O)O","CC(C)C(N)C(=O)O",{"$nulls":4},117.078978592,"?"]
[1974,"CC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O","517-09-9","CC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O","CC12C(c3c(CC1)c4c(cc3)cc(O)cc4)CCC2=O",{"$nulls":4},266.1306798160003,"?"]
[1975,"CC(=O)C1CCOC1=O","517-23-7","CC(=O)C1CCOC1=O","CC(=O)C1C(OCC1)=O",{"$nulls":4},128.047344116,"?"]
[1976,"Cc1ccnc(C(O)=O)c1C(O)=O","517-40-8","Cc1ccnc(C(=O)O)c1C(=O)O","Cc1c(c(ncc1)C(=O)O)C(=O)O",{"$nulls":4},181.037507704,"?"]
[1977,"COc1cc(cc(OC)c1OC)C2[CH]3C(COC3=O)Cc4c(O)c5OCOc5cc24","518-29-6","COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1OC","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)OC",{"$nulls":4},414.1314676640006,"?"]
[1978,"Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1","518-45-6","O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21","O=C1c2c(C3(O1)c4c(Oc5c3ccc(O)c5)cc(O)cc4)cccc2",{"$nulls":4},332.0684734840004,"?"]
[1979,"COc1ccc(C=O)c(C(O)=O)c1OC","519-05-1","COc1ccc(C=O)c(C(=O)O)c1OC","COc1c(c(c(cc1)C=O)C(=O)O)OC",{"$nulls":4},210.05282342,"?"]
[1980,"Oc1cc(O)c(c(O)c1)C(=O)c2ccc(O)c(O)c2","519-34-6","O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O","O=C(c1cc(c(cc1)O)O)c2c(cc(cc2O)O)O",{"$nulls":4},262.0477380400002,"?"]
[1981,"CN(C)C(=O)C(=O)N(N(C)C(C)=O)c1ccccc1","519-65-3","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1",{"$nulls":4},263.1269914040002,"?"]
[1982,"C[C]12CC[CH]3[CH](CC[CH]4CC(=O)CC[C]34C)[CH]1CC[CH]2O","521-18-6","CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC(=O)CC4)C)CCC2O",{"$nulls":4},290.22458020000084,"?"]
[1983,"Oc1c(Br)cc(Br)c2cccnc12","521-74-4","Oc1c(Br)cc(Br)c2cccnc12","Oc1c2c(c(cc1Br)Br)cccn2",{"$nulls":4},300.87378798000015,"?"]
[1984,"CC[CH]1CN2CC[CH]1C[CH]2[CH](O)c3ccnc4ccc(OC)cc34","522-66-7","CCC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",{"$nulls":4},326.1994280720007,"?"]
[1985,"Cc1ncc(CO)c(CN)c1O","524-36-7","Cc1ncc(CO)c(CN)c1O","Cc1c(c(c(cn1)CO)CN)O",{"$nulls":4},168.089877624,"?"]
[1986,"COC1=C(C#N)C(=O)N(C)C=C1","524-40-3","COc1ccn(C)c(=O)c1C#N","COc1c(c(n(cc1)C)=O)C#N",{"$nulls":4},164.058577496,"?"]
[1987,"O[S](=O)(=O)c1ccc2c(cccc2[S](O)(=O)=O)c1","525-37-1","O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cccc2c1","O=S(=O)(O)c1cc2c(cc1)c(S(=O)(=O)O)ccc2",{"$nulls":4},287.97622997600024,"?"]
[1988,"CC(C)NCC(O)COc1cccc2ccccc12","525-66-6","CC(C)NCC(O)COc1cccc2ccccc12","CC(C)NCC(O)COc1c2c(ccc1)cccc2",{"$nulls":4},259.1572289120001,"?"]
[1989,"Nc1ccc(cc1)[S](=O)(=O)Nc2ccnn2c3ccccc3","526-08-9","Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2n(ncc2)-c3ccccc3",{"$nulls":4},314.08374668800036,"?"]
[1990,"NC(Cc1[nH]nc2ccccc12)C(O)=O","526-30-7","NC(Cc1[nH]nc2ccccc12)C(=O)O","NC(Cc1c2c(n[nH]1)cccc2)C(=O)O",{"$nulls":4},205.085126592,"?"]
[1991,"Cc1cccc(C)c1C","526-73-8","Cc1cccc(C)c1C","Cc1c(c(ccc1)C)C",{"$nulls":4},120.093900384,"?"]
[1992,"Cc1cccc(O)c1C","526-75-0","Cc1cccc(O)c1C","Cc1c(c(ccc1)O)C",{"$nulls":4},122.07316494,"?"]
[1993,"OC(C(O)C(O)=O)C(O)=O","526-83-0","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",{"$nulls":4},150.01643791200001,"?"]
[1994,"OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O","526-95-4","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO",{"$nulls":4},196.05830272400001,"?"]
[1995,"O[CH]([CH](O)[CH](O)C(O)=O)[CH](O)C(O)=O","526-99-8","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",{"$nulls":4},210.03756728000002,"?"]
[1996,"O[CH]([CH](O)[CH](O)C(O)=O)[CH](O)C(O)=O","527-00-4","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",{"$nulls":4},210.03756728000002,"?"]
[1997,null,"527-06-0",{"$nulls":7},""]
[1998,"[Na+].OC[CH](O)[CH](O)[CH](O)[CH](O)C([O-])=O","527-07-1","O=C([O-])C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","[Na+]",{"$nulls":3},218.040246972,"Structure has been neutralized"]
[1999,"[Cu++].OC[CH](O)[CH](O)[CH](O)[CH](O)C([O-])=O.OC[CH](O)[CH](O)[CH](O)[CH](O)C([O-])=O","527-09-3","O=C([O-])C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C([O-])=O","[Cu+2]",null,null,453.03055288400003,"Structure has been neutralized"]
[2000,"Cc1cc(C)c(O)c(C)c1","527-60-6","Cc1cc(C)c(O)c(C)c1","Cc1cc(c(c(c1)C)O)C",{"$nulls":4},136.088815004,"?"]
[2001,"OC(=O)c1sccc1","527-72-0","O=C(O)c1cccs1","O=C(O)c1sccc1",{"$nulls":4},127.993200368,"?"]
[2002,"CC(C)c1ccccc1C","527-84-4","Cc1ccccc1C(C)C","Cc1c(cccc1)C(C)C",{"$nulls":4},134.109550448,"?"]
[2003,"Oc1ccc(cc1C(=O)C(=O)c2cc(ccc2O)[N+]([O-])=O)[N+]([O-])=O","528-10-9","O=C(C(=O)c1cc([N+](=O)[O-])ccc1O)c1cc([N+](=O)[O-])ccc1O","O=C(C(=O)c1c(ccc(c1)[N+](=O)[O-])O)c2c(ccc(c2)[N+](=O)[O-])O",{"$nulls":4},332.0280652160002,"?"]
[2004,"CC(=O)c1ccc(O)c(O)c1O","528-21-2","CC(=O)c1ccc(O)c(O)c1O","CC(=O)c1c(c(c(cc1)O)O)O",{"$nulls":4},168.042258736,"?"]
[2005,"[O-][N+](=O)c1ccccc1[N+]([O-])=O","528-29-0","O=[N+]([O-])c1ccccc1[N+](=O)[O-]","O=[N+]([O-])c1c(cccc1)[N+](=O)[O-]",{"$nulls":4},168.017106608,"?"]
[2006,"OC(=O)c1ccc(C(O)=O)c(c1)C(O)=O","528-44-9","O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1","O=C(O)c1cc(c(cc1)C(=O)O)C(=O)O",{"$nulls":4},210.01643791200001,"?"]
[2007,"OC(=O)c1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O","528-45-0","O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},212.006935848,"?"]
[2008,"OC(=O)C(=O)c1ccccc1C(O)=O","528-46-1","O=C(O)C(=O)c1ccccc1C(=O)O","O=C(O)C(=O)c1c(cccc1)C(=O)O",{"$nulls":4},194.02152329199998,"?"]
[2009,"OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O","528-50-7","OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",{"$nulls":4},342.11621152400056,"?"]
[2010,"CC(C)C(CC=C)C(=O)NC(N)=O","528-92-7","C=CCC(C(=O)NC(N)=O)C(C)C","C=CCC(C(=O)NC(N)=O)C(C)C",{"$nulls":4},184.121177752,"?"]
[2011,"O=C1C=CNc2ccccc12","529-37-3","O=c1cc[nH]c2ccccc12","O=c1c2c([nH]cc1)cccc2",{"$nulls":4},145.052763844,"?"]
[2012,"OCC(C(O)=O)c1ccccc1","529-64-6","O=C(O)C(CO)c1ccccc1","O=C(O)C(CO)c1ccccc1",{"$nulls":4},166.06299418,"?"]
[2013,"Oc1c2ccccc2cc3ccccc13","529-86-2","Oc1c2ccccc2cc2ccccc12","Oc1c2c(cc3c1cccc3)cccc2",{"$nulls":4},194.07316494,"?"]
[2014,"CC(=O)c1ccc(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1","530-14-3","CC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1","CC(=O)c1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O",{"$nulls":4},298.1052529160005,"?"]
[2015,"C=C(c1ccccc1)c2ccccc2","530-48-3","C=C(c1ccccc1)c1ccccc1","C=C(c1ccccc1)c2ccccc2",{"$nulls":4},180.093900384,"?"]
[2016,"OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F","530-78-9","O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1","O=C(O)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F",{"$nulls":4},281.0663632200003,"?"]
[2017,"ON=C1CCCCCC1=NO","530-97-2","ON=C1CCCCCC1=NO","ON=C1C(CCCCC1)=NO",{"$nulls":4},156.089877624,"?"]
[2018,"COc1ccc2C=CC(=O)Oc2c1","531-59-9","COc1ccc2ccc(=O)oc2c1","COc1cc2c(cc1)ccc(=O)o2",{"$nulls":4},176.047344116,"?"]
[2019,"OC(=O)C1=Cc2ccccc2OC1=O","531-81-7","O=C(O)c1cc2ccccc2oc1=O","O=C(O)c1c(oc2c(c1)cccc2)=O",{"$nulls":4},190.026608672,"?"]
[2020,null,"532-03-6",{"$nulls":7},""]
[2021,"[Na+].[O-]C(=O)c1ccccc1","532-32-1","O=C([O-])c1ccccc1","O=C(O)c1ccccc1","[Na+]",{"$nulls":3},144.01872368,"Structure has been neutralized"]
[2022,"[H+].[Cl-].Nc1ccc(N=Nc2ccccc2)c(N)c1","532-82-1","Nc1ccc(N=Nc2ccccc2)c(N)c1","Nc1cc(c(cc1)N=Nc2ccccc2)N","C.I","[Cl-]","[H+]",null,392.026472256,"?"]
[2023,"ClCC(=O)Nc1ccccc1","533-17-5","O=C(CCl)Nc1ccccc1","O=C(CCl)Nc1ccccc1",{"$nulls":4},169.029441556,"?"]
[2024,"CCOC(=O)COc1ccc(Cl)cc1Cl","533-23-3","CCOC(=O)COc1ccc(Cl)cc1Cl","CCOC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},248.00069954,"?"]
[2025,"CCCCCc1ccc(O)cc1O","533-24-4","CCCCCc1ccc(O)cc1O","CCCCCc1c(cc(cc1)O)O",{"$nulls":4},180.115029752,"?"]
[2026,"CC[N-]CCC(=O)CC(C)C","533-32-4","CC[N-]CCC(=O)CC(C)C","CCNCCC(=O)CC(C)C",{"$nulls":4},156.138839196,"Structure has been neutralized"]
[2027,null,"533-74-4",{"$nulls":7},""]
[2028,"OC(CI)CI","534-08-7","OC(CI)CI","OC(CI)CI",{"$nulls":4},311.8508108120002,"?"]
[2029,"CN(C)C(N)=S","534-13-4","CN(C)C(N)=S","CN(C)C(N)=S",{"$nulls":4},104.04081925599999,"?"]
[2030,"COC(C)OC","534-15-6","COC(C)OC","COC(C)OC",{"$nulls":4},90.06807956,"?"]
[2031,"Cc1occc1","534-22-5","Cc1ccco1","Cc1occc1",{"$nulls":4},82.041864812,"?"]
[2032,"Cc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O","534-52-1","Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","Cc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",{"$nulls":4},198.027671292,"?"]
[2033,"CCCCC(C(O)=O)C(O)=O","534-59-8","CCCCC(C(=O)O)C(=O)O","CCCCC(C(=O)O)C(=O)O",{"$nulls":4},160.073558864,"?"]
[2034,"CC(C)(C)c1sc(N[S](=O)(=O)c2ccc(N)cc2)nn1","535-65-9","CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CC(C)(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},312.0714677520005,"?"]
[2035,"CC(C)c1cccc(C)c1","535-77-3","Cc1cccc(C(C)C)c1","Cc1cc(ccc1)C(C)C",{"$nulls":4},134.109550448,"?"]
[2036,"OC(=O)c1cccc(Cl)c1","535-80-8","O=C(O)c1cccc(Cl)c1","O=C(O)c1cc(ccc1)Cl",{"$nulls":4},155.99780708,"?"]
[2037,"Nc1cc(N)cc(c1)C(O)=O","535-87-5","Nc1cc(N)cc(C(=O)O)c1","Nc1cc(cc(c1)N)C(=O)O",{"$nulls":4},152.058577496,"?"]
[2038,"CN(C)c1cc(C)nc(Cl)n1","535-89-7","Cc1cc(N(C)C)nc(Cl)n1","Cc1nc(nc(c1)N(C)C)Cl",{"$nulls":4},171.056325,"?"]
[2039,"OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1","536-08-3","O=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1","O=C(O)c1cc(c(c(c1)O)O)OC(=O)c2cc(c(c(c2)O)O)O",{"$nulls":4},322.0324819000003,"?"]
[2040,"CC(C)c1ccc(cc1)C(O)=O","536-66-3","CC(C)c1ccc(C(=O)O)cc1","CC(C)c1ccc(cc1)C(=O)O",{"$nulls":4},164.083729624,"?"]
[2041,"C#Cc1ccccc1","536-74-3","C#Cc1ccccc1","C#Cc1ccccc1",{"$nulls":4},102.046950192,"?"]
[2042,"CCc1ccncc1","536-75-4","CCc1ccncc1","CCc1ccncc1",{"$nulls":4},107.073499288,"?"]
[2043,"CCc1cccnc1","536-78-7","CCc1cccnc1","CCc1cnccc1",{"$nulls":4},107.073499288,"?"]
[2044,"O=[I]c1ccccc1","536-80-1","O=[IH2]c1ccccc1","O=Ic1ccccc1",{"$nulls":4},219.93851278,"?"]
[2045,"CN1C2CCC1CC(C2)OC(=O)c3ccccc3","537-26-8","CN1C2CCC1CC(OC(=O)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)c3ccccc3",{"$nulls":4},245.141578848,"?"]
[2046,"ClN=C1C=C(Br)C(=O)C(=C1)Br","537-45-1","O=C1C(Br)=CC(=NCl)C=C1Br","O=C1C(=CC(C=C1Br)=NCl)Br",{"$nulls":4},296.81916556400006,"?"]
[2047,"NNC(=O)Nc1ccccc1","537-47-3","NNC(=O)Nc1ccccc1","NNC(=O)Nc1ccccc1",{"$nulls":4},151.074561908,"?"]
[2048,"CN[CH](Cc1ccc(O)cc1)C(O)=O","537-49-5","CNC(Cc1ccc(O)cc1)C(=O)O","CNC(Cc1ccc(cc1)O)C(=O)O",{"$nulls":4},195.089543276,"?"]
[2049,"CC(=O)Nc1cccc(C)c1","537-92-8","CC(=O)Nc1cccc(C)c1","CC(=O)Nc1cc(ccc1)C",{"$nulls":4},149.084063972,"?"]
[2050,"CCN(CCCl)CCCl","538-07-8","CCN(CCCl)CCCl","CCN(CCCl)CCCl",{"$nulls":4},169.042504776,"?"]
[2051,"NC(=O)NCc1ccccc1","538-32-9","NC(=O)NCc1ccccc1","NC(=O)NCc1ccccc1",{"$nulls":4},150.07931294,"?"]
[2052,"CCCCOC(=O)C=Cc1ccccc1","538-65-8","CCCCOC(=O)C=Cc1ccccc1","CCCCOC(=O)C=Cc1ccccc1",{"$nulls":4},204.115029752,"?"]
[2053,"CCCCCc1ccccc1","538-68-1","CCCCCc1ccccc1","CCCCCc1ccccc1",{"$nulls":4},148.125200512,"?"]
[2054,"COCc1ccccc1","538-86-3","COCc1ccccc1","COCc1ccccc1",{"$nulls":4},122.07316494,"?"]
[2055,"CC(C)Cc1ccccc1","538-93-2","CC(C)Cc1ccccc1","CC(C)Cc1ccccc1",{"$nulls":4},134.109550448,"?"]
[2056,"CC(=O)Nc1ccc(Cl)cc1","539-03-7","CC(=O)Nc1ccc(Cl)cc1","CC(=O)Nc1ccc(cc1)Cl",{"$nulls":4},169.029441556,"?"]
[2057,"CN(C)CCc1ccc(O)cc1","539-15-1","CN(C)CCc1ccc(O)cc1","CN(C)CCc1ccc(cc1)O",{"$nulls":4},165.1153641,"?"]
[2058,"CN(C)c1ccc(cc1)N=Nc2ccc(N)cc2","539-17-3","CN(C)c1ccc(N=Nc2ccc(N)cc2)cc1","CN(C)c1ccc(cc1)N=Nc2ccc(cc2)N","C.I",{"$nulls":3},384.08109467199995,"?"]
[2059,"OC(=O)C=Cc1occc1","539-47-9","O=C(O)C=Cc1ccco1","O=C(O)C=Cc1occc1",{"$nulls":4},138.031694052,"?"]
[2060,"CCCCC(=O)OCC","539-82-2","CCCCC(=O)OCC","CCCCC(=O)OCC",{"$nulls":4},130.099379688,"?"]
[2061,"C=CCS[S](=O)CC=C","539-86-6","C=CCSS(=O)CC=C","C=CCSS(=O)CC=C",{"$nulls":4},162.01730694,"?"]
[2062,"CCOC(=O)NCC(C)C","539-89-9","CCOC(=O)NCC(C)C","CCOC(=O)NCC(C)C",{"$nulls":4},145.11027872,"?"]
[2063,"CCCCCOC(=O)CCC","540-18-1","CCCCCOC(=O)CCC","CCCCCOC(=O)CCC",{"$nulls":4},158.130679816,"?"]
[2064,"Fc1ccc(F)cc1","540-36-3","Fc1ccc(F)cc1","Fc1ccc(cc1)F",{"$nulls":4},114.028106568,"?"]
[2065,"CCC(=O)OCC(C)C","540-42-1","CCC(=O)OCC(C)C","CCC(=O)OCC(C)C",{"$nulls":4},130.099379688,"?"]
[2066,"COC1CC1","540-47-6","COC1CC1","COC1CC1",{"$nulls":4},72.057514876,"?"]
[2067,"BrCCBr","540-49-8","BrCCBr","BrCCBr",{"$nulls":4},185.867974328,"?"]
[2068,"OCCBr","540-51-2","OCCBr","OCCBr",{"$nulls":4},123.95237688,"?"]
[2069,"CCCCl","540-54-5","CCCCl","CCCCl",{"$nulls":4},78.023627904,"?"]
[2070,"ClC=CCl","540-59-0","ClC=CCl","ClC=CCl",{"$nulls":4},95.953355424,"?"]
[2071,"CCOC","540-67-0","CCOC","CCOC",{"$nulls":4},60.057514876,"?"]
[2072,"CNNC","540-73-8","CNNC","CNNC",{"$nulls":4},60.06874825599999,"?"]
[2073,"CC(C)CC(C)(C)C","540-84-1","CC(C)CC(C)(C)C","CC(C)CC(C)(C)C",{"$nulls":4},114.14085057599999,"?"]
[2074,"CC(=O)OC(C)(C)C","540-88-5","CC(=O)OC(C)(C)C","CC(=O)OC(C)(C)C",{"$nulls":4},116.083729624,"?"]
[2075,"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","540-97-6","C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C",{"$nulls":4},444.11274805200094,"?"]
[2076,"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","541-02-6","C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C",{"$nulls":4},370.0939567100008,"?"]
[2077,"CC(O|[U](|OC(C)=O)(=O)=O)=O","541-09-3",{"$nulls":7},""]
[2078,null,"541-25-3",{"$nulls":7},""]
[2079,"CCCC(Cl)Cl","541-33-3","CCCC(Cl)Cl","CCCC(Cl)Cl",{"$nulls":4},126.00030561599999,"?"]
[2080,"CCCC(N)=O","541-35-5","CCCC(N)=O","CCCC(N)=O",{"$nulls":4},87.068413908,"?"]
[2081,"[Ba++].[O-]C=O.[O-]C=O","541-43-5","[Ba+2]","[Ba+2]","[O-]C=O","[O-]C=O",null,null,227.900555744,"?"]
[2082,"CC(N)CC(O)=O","541-48-0","CC(N)CC(=O)O","CC(N)CC(=O)O",{"$nulls":4},103.063328528,"?"]
[2083,"CC(=O)CC(O)=O","541-50-4","CC(=O)CC(=O)O","CC(=O)CC(=O)O",{"$nulls":4},102.031694052,"?"]
[2084,"NC(=O)NC(N)=S","541-53-7","NC(=O)NC(N)=S","NC(=O)NC(N)=S",{"$nulls":4},119.01533278,"?"]
[2085,null,"541-73-1",{"$nulls":7},""]
[2086,null,"541-89-9",{"$nulls":7},""]
[2087,"CCCC(C)O.NC(O)=O","541-95-7","CCCC(C)O","CCCC(C)O","NC(O)=O",{"$nulls":3},149.10519334,"?"]
[2088,"CC1=CC(=O)CC(=O)O1","541-98-0","CC1=CC(=O)CC(=O)O1","CC=1OC(CC(C1)=O)=O",{"$nulls":4},126.031694052,"?"]
[2089,"ClC1CCCCC1","542-18-7","ClC1CCCCC1","ClC1CCCCC1",{"$nulls":4},118.05492803199999,"?"]
[2090,"NC(CCCC(O)=O)C(O)=O","542-32-5","NC(CCCC(=O)O)C(=O)O","NC(CCCC(=O)O)C(=O)O",{"$nulls":4},161.068807832,"?"]
[2091,"CC(C)COC=O","542-55-2","CC(C)COC=O","CC(C)COC=O",{"$nulls":4},102.06807956,"?"]
[2092,"CCCCI","542-69-8","CCCCI","CCCCI",{"$nulls":4},183.974898288,"?"]
[2093,null,"542-75-6",{"$nulls":7},""]
[2094,"ClCOCCl","542-88-1","ClCOCCl","ClCOCCl",{"$nulls":4},113.963920108,"?"]
[2095,"C1C=CC=C1","542-92-7","C1=CCC=C1","C=1C=CCC1",{"$nulls":4},66.046950192,"?"]
[2096,null,"543-18-0",{"$nulls":7},""]
[2097,"CC(=O)NCC(O)=O","543-24-8","CC(=O)NCC(=O)O","CC(=O)NCC(=O)O",{"$nulls":4},117.042593084,"?"]
[2098,"CC(C)COC(N)=O","543-28-2","CC(C)COC(N)=O","CC(C)COC(N)=O",{"$nulls":4},117.078978592,"?"]
[2099,"CC(C)CO[N+]([O-])=O","543-29-3","CC(C)CO[N+](=O)[O-]","CC(C)CO[N+](=O)[O-]",{"$nulls":4},119.058243148,"?"]
[2100,"CCCCCC(C)O","543-49-7","CCCCCC(C)O","CCCCCC(C)O",{"$nulls":4},116.120115132,"?"]
[2101,"CCCCCCl","543-59-9","CCCCCCl","CCCCCCl",{"$nulls":4},106.05492803199999,"?"]
[2102,"[Ba++].CC([O-])=O.CC([O-])=O","543-80-6","[Ba+2]","[Ba+2]","CC([O-])=O","CC([O-])=O",null,null,255.931855872,"?"]
[2103,null,"543-86-2",{"$nulls":7},""]
[2104,"CC(C)CCO.O[N+]([O-])=O","543-87-3","CC(C)CCO","CC(C)CCO","O[N+]([O-])=O",{"$nulls":3},151.084457896,"?"]
[2105,"[Sr++].CC([O-])=O.CC([O-])=O","543-94-2","[Sr+2]","[Sr+2]","CC([O-])=O","CC([O-])=O",null,null,205.93222077200002,"?"]
[2106,"CC(C)CCOCCC(C)C","544-01-4","CC(C)CCOCCC(C)C","CC(C)CCOCCC(C)C",{"$nulls":4},158.167065324,"?"]
[2107,"CCCCCCCl","544-10-5","CCCCCCCl","CCCCCCCl",{"$nulls":4},120.07057809599999,"?"]
[2108,"N#CCCCC#N","544-13-8","N#CCCCC#N","N#CCCCC#N",{"$nulls":4},94.053098192,"?"]
[2109,"C1C=CC=CC=C1","544-25-2","C1=CC=CCC=C1","C=1C=CCC=CC1",{"$nulls":4},92.062600256,"?"]
[2110,"CCCCCCCCCCCCCC(O)=O","544-63-8","CCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCC(=O)O",{"$nulls":4},228.208930136,"?"]
[2111,"CCCCCCCCCCCCCCCC","544-76-3","CCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCC",{"$nulls":4},226.26605108799998,"?"]
[2112,"NC(=O)N[S](=O)(=O)c1ccc(N)cc1","547-44-4","NC(=O)NS(=O)(=O)c1ccc(N)cc1","NC(=O)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},215.036462148,"?"]
[2113,null,"547-52-4",{"$nulls":7},""]
[2114,"COC(=O)C(C)O","547-64-8","COC(=O)C(C)O","COC(=O)C(C)O",{"$nulls":4},104.047344116,"?"]
[2115,"C=C1CCOC1=O","547-65-9","C=C1CCOC1=O","C=C1C(OCC1)=O",{"$nulls":4},98.036779432,"?"]
[2116,"CC(CCC(O)=O)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C","547-75-1","CC(CCC(=O)O)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(C(C3O)O)CC(O)CC4)C)CC2)C",{"$nulls":4},408.2875743800011,"?"]
[2117,"CCOC(=O)C(C1=C(O)Oc2ccccc2C1=O)C3=C(O)Oc4ccccc4C3=O","548-00-5","CCOC(=O)C(c1c(O)oc2ccccc2c1=O)c1c(O)oc2ccccc2c1=O","CCOC(=O)C(c1c(c2c(oc1O)cccc2)=O)c3c(c4c(oc3O)cccc4)=O",{"$nulls":4},408.0845174720004,"?"]
[2118,null,"548-37-8",{"$nulls":7},""]
[2119,"CC(C)c1ccc(C)c(C(O)=O)c1O","548-51-6","Cc1ccc(C(C)C)c(O)c1C(=O)O","Cc1c(c(c(cc1)C(C)C)O)C(=O)O",{"$nulls":4},194.094294308,"?"]
[2120,"COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1.O[S](O)(=O)=O","549-56-4","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","OS(O)(=O)=O",{"$nulls":3},422.15115755200065,"?"]
[2121,"NC(=O)NN=Cc1oc(cc1)[N+]([O-])=O","550-23-2","NC(=O)NN=Cc1ccc([N+](=O)[O-])o1","NC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]",{"$nulls":4},198.038904672,"?"]
[2122,"CN1C(=O)C=C(N)N(CC(C)=C)C1=O","550-28-7","C=C(C)Cn1c(N)cc(=O)n(C)c1=O","C=C(C)Cn1c(n(c(cc1N)=O)C)=O",{"$nulls":4},195.100776656,"?"]
[2123,"OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cncnc23","550-33-4","OCC1OC(n2cnc3cncnc32)C(O)C1O","OCC1C(C(C(O1)n2c3c(nc2)cncn3)O)O",{"$nulls":4},252.085854864,"?"]
[2124,"Oc1ccc2ccccc2c1[N+]([O-])=O","550-60-7","O=[N+]([O-])c1c(O)ccc2ccccc12","O=[N+]([O-])c1c2c(ccc1O)cccc2",{"$nulls":4},189.042593084,"?"]
[2125,"CC1=NN(c2ccc(cc2)[N+]([O-])=O)C(=O)C1[N+]([O-])=O","550-74-3","CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1[N+](=O)[O-]","CC=1C(C(N(N1)c2ccc(cc2)[N+](=O)[O-])=O)[N+](=O)[O-]",{"$nulls":4},264.0494693560002,"?"]
[2126,"S=C=Nc1cccc2ccccc12","551-06-4","S=C=Nc1cccc2ccccc12","S=C=Nc1c2c(ccc1)cccc2",{"$nulls":4},185.029920224,"?"]
[2127,"NCCNc1cccc2ccccc12","551-09-7","NCCNc1cccc2ccccc12","NCCNc1c2c(ccc1)cccc2",{"$nulls":4},186.115698448,"?"]
[2128,"Cc1c(Cl)cc(Cl)c(O)c1Cl","551-76-8","Cc1c(Cl)cc(Cl)c(O)c1Cl","Cc1c(c(c(cc1Cl)Cl)O)Cl",{"$nulls":4},209.94059782,"?"]
[2129,"OC(=O)c1ccccc1[N+]([O-])=O","552-16-9","O=C(O)c1ccccc1[N+](=O)[O-]","O=C(O)c1c(cccc1)[N+](=O)[O-]",{"$nulls":4},167.02185764,"?"]
[2130,"[O-][N+](=O)CC(=O)Nc1ccccc1","552-32-9","O=C(C[N+](=O)[O-])Nc1ccccc1","O=C(C[N+](=O)[O-])Nc1ccccc1",{"$nulls":4},180.053492116,"?"]
[2131,"Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccc(O)c(O)c3","552-58-9","O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21","O=C1c2c(OC(C1)c3cc(c(cc3)O)O)cc(O)cc2O",{"$nulls":4},288.06338810400035,"?"]
[2132,null,"552-63-6",{"$nulls":7},""]
[2133,"CN1C2CCCC1CC(=O)C2","552-70-5","CN1C2CCCC1CC(=O)C2","CN1C2CCCC1CC(C2)=O",{"$nulls":4},153.1153641,"?"]
[2134,"[O-][N+](=O)c1ccccc1C=O","552-89-6","O=Cc1ccccc1[N+](=O)[O-]","O=Cc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},151.02694302,"?"]
[2135,"c1cc(ccn1)c2ccncc2","553-26-4","c1cc(-c2ccncc2)ccn1","c1nccc(c1)-c2ccncc2",{"$nulls":4},156.068748256,"?"]
[2136,"NNC(=O)c1cccnc1","553-53-7","NNC(=O)c1cccnc1","NNC(=O)c1cnccc1",{"$nulls":4},137.058911844,"?"]
[2137,"CCCOc1ccc(cc1N)[N+]([O-])=O","553-79-7","CCCOc1ccc([N+](=O)[O-])cc1N","CCCOc1c(cc(cc1)[N+](=O)[O-])N",{"$nulls":4},196.084792244,"?"]
[2138,"COC(=O)C([O-])=O","553-90-2","COC(=O)C(=O)[O-]","COC(=O)C(=O)O",{"$nulls":4},103.00313357600001,"Structure has been neutralized"]
[2139,"Nc1ccc(Cl)cc1Cl","554-00-7","Nc1ccc(Cl)cc1Cl","Nc1c(cc(cc1)Cl)Cl",{"$nulls":4},160.97990452,"?"]
[2140,"CC1=CNC(=O)N=C1N","554-01-8","Cc1c[nH]c(=O)nc1N","Cc1c(nc([nH]c1)=O)N",{"$nulls":4},125.058911844,"?"]
[2141,"CCC(=O)OC","554-12-1","CCC(=O)OC","CCC(=O)OC",{"$nulls":4},88.052429496,"?"]
[2142,"CN1N=C(SC1=NC(C)=O)[S](N)(=O)=O","554-57-4","CC(=O)N=c1sc(S(N)(=O)=O)nn1C","CC(=O)N=c1n(nc(s1)S(N)(=O)=O)C",{"$nulls":4},236.003782116,"?"]
[2143,"Oc1cccc(c1)[N+]([O-])=O","554-84-7","O=[N+]([O-])c1cccc(O)c1","O=[N+]([O-])c1cc(ccc1)O",{"$nulls":4},139.02694302,"?"]
[2144,"OC(=O)c1cc(cc(c1)C(O)=O)C(O)=O","554-95-0","O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O",{"$nulls":4},210.01643791200001,"?"]
[2145,"COc1cccc(c1)[N+]([O-])=O","555-03-3","COc1cccc([N+](=O)[O-])c1","COc1cc(ccc1)[N+](=O)[O-]",{"$nulls":4},153.042593084,"?"]
[2146,"[O-][N+](=O)c1ccc(C=O)cc1","555-16-8","O=Cc1ccc([N+](=O)[O-])cc1","O=Cc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},151.02694302,"?"]
[2147,"COC(=O)[CH](N)Cc1ccc(O)c(O)c1","555-30-6","COC(=O)C(N)Cc1ccc(O)c(O)c1","COC(=O)C(N)Cc1cc(c(cc1)O)O",{"$nulls":4},211.084457896,"?"]
[2148,"CCCCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1","555-37-3","CCCCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CCCCN(C)C(=O)Nc1cc(c(cc1)Cl)Cl",{"$nulls":4},274.0639684920004,"?"]
[2149,"OC(=O)C=CC(=O)Nc1ccccc1","555-59-9","O=C(O)C=CC(=O)Nc1ccccc1","O=C(O)C=CC(=O)Nc1ccccc1",{"$nulls":4},191.058243148,"?"]
[2150,"ClCCN(CCCl)CCCl","555-77-1","ClCCN(CCCl)CCCl","ClCCN(CCCl)CCCl",{"$nulls":4},203.00353242399999,"?"]
[2151,"[O-][N+](=O)c1oc(cc1)C=NN2CCNC2=O","555-84-0","O=C1NCCN1N=Cc1ccc([N+](=O)[O-])o1","O=C1N(CCN1)N=Cc2oc(cc2)[N+](=O)[O-]",{"$nulls":4},224.054554736,"?"]
[2152,"NNCc1ccccc1","555-96-4","NNCc1ccccc1","NNCc1ccccc1",{"$nulls":4},122.08439831999999,"?"]
[2153,"N[CH](Cc1ccc(O)cc1)C(O)=O","556-02-5","NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",{"$nulls":4},181.073893212,"?"]
[2154,"NC(Cc1ccc(O)cc1)C(O)=O","556-03-6","NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",{"$nulls":4},181.073893212,"?"]
[2155,"NCC(=O)NCC(=O)NCC(O)=O","556-33-2","NCC(=O)NCC(=O)NCC(=O)O","NCC(=O)NCC(=O)NCC(=O)O",{"$nulls":4},189.074955832,"?"]
[2156,"[Zn++].CCCCC([O-])=O.CCCCC([O-])=O","556-38-7","CCCCC(=O)[O-]","CCCCC(=O)O","CCCCC([O-])=O","[Zn+2]",null,null,266.049651256,"Structure has been neutralized"]
[2157,null,"556-50-3",{"$nulls":7},""]
[2158,"OCC1CO1","556-52-5","OCC1CO1","OCC1OC1",{"$nulls":4},74.036779432,"?"]
[2159,"CN=C=S","556-61-6","CN=C=S","CN=C=S",{"$nulls":4},72.998620096,"?"]
[2160,"C[SiH2]O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","556-67-2","C[SiH2]O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[SiH2]O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C",{"$nulls":4},282.0959008120007,"?"]
[2161,"NC(=N)N[N+]([O-])=O","556-88-7","N=C(N)N[N+](=O)[O-]","N=C(N)N[N+](=O)[O-]",{"$nulls":4},104.033425368,"?"]
[2162,"O=C1NC=CC=N1","557-01-7","O=c1nccc[nH]1","O=c1[nH]cccn1",{"$nulls":4},96.032362748,"?"]
[2163,"CCCOC","557-17-5","CCCOC","CCCOC",{"$nulls":4},74.07316494,"?"]
[2164,"CCCC(=O)OCC(O)CO","557-25-5","CCCC(=O)OCC(O)CO","CCCC(=O)OCC(O)CO",{"$nulls":4},162.089208928,"?"]
[2165,"[Zn++].CCC([O-])=O.CCC([O-])=O","557-28-8","CCC(=O)[O-]","CCC(=O)O","CCC([O-])=O","[Zn+2]",null,null,209.987051,"Structure has been neutralized"]
[2166,"[Zn++].CC([O-])=O.CC([O-])=O","557-34-6","[Zn+2]","[Zn+2]","CC([O-])=O","CC([O-])=O",null,null,181.955750872,"?"]
[2167,"C=CCOCC=C","557-40-4","C=CCOCC=C","C=CCOCC=C",{"$nulls":4},98.07316494,"?"]
[2168,"[Zn++].[O-]C=O.[O-]C=O","557-41-5","[Zn+2]","[Zn+2]","[O-]C=O","[O-]C=O",null,null,153.924450744,"?"]
[2169,"BrC(Br)(Br)Br","558-13-4","BrC(Br)(Br)Br","BrC(Br)(Br)Br",{"$nulls":4},327.6733484,"?"]
[2170,"C[S](F)(=O)=O","558-25-8","CS(=O)(=O)F","CS(=O)(=O)F",{"$nulls":4},97.983778556,"?"]
[2171,"CC1(C)CO1","558-30-5","CC1(C)CO1","CC1(OC1)C",{"$nulls":4},72.057514876,"?"]
[2172,"CC(C)(O)CCl","558-42-9","CC(C)(O)CCl","CC(C)(O)CCl",{"$nulls":4},108.034192588,"?"]
[2173,"[O-][N+](=O)C(Br)([N+]([O-])=O)[N+]([O-])=O","560-95-2","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},228.89704682,"Errors in neutralization"]
[2174,"CN1CC[C]23[CH]4Oc5c(OC(C)=O)ccc(C[CH]1[CH]2C=C[CH]4OC(C)=O)c35","561-27-3","CC(=O)Oc1ccc2c3c1OC1C(OC(C)=O)C=CC4C(C2)N(C)CCC341","CC(=O)Oc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)OC(C)=O",{"$nulls":4},369.1576228360006,"?"]
[2175,"CCC(C)(C)CC","562-49-2","CCC(C)(C)CC","CCC(C)(C)CC",{"$nulls":4},100.12520051199999,"?"]
[2176,"CCO[P](=S)(OCC)SCS[P](=S)(OCC)OCC","563-12-2","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC",{"$nulls":4},383.98761644400054,"?"]
[2177,"CC(C)C=C","563-45-1","C=CC(C)C","C=CC(C)C",{"$nulls":4},70.07825032,"?"]
[2178,"CCC(C)=C","563-46-2","C=C(C)CC","C=C(C)CC",{"$nulls":4},70.07825032,"?"]
[2179,"CC(=C)CCl","563-47-3","C=C(C)CCl","C=C(C)CCl",{"$nulls":4},90.023627904,"?"]
[2180,"CC(Cl)=CCl","563-54-2","CC(Cl)=CCl","CC(Cl)=CCl",{"$nulls":4},109.969005488,"?"]
[2181,"CC(C)C(C)=O","563-80-4","CC(=O)C(C)C","CC(=O)C(C)C",{"$nulls":4},86.07316494,"?"]
[2182,"CC(O)C(C)Cl","563-84-8","CC(O)C(C)Cl","CC(O)C(C)Cl",{"$nulls":4},108.034192588,"?"]
[2183,"C1OC1C2CO2","564-00-1","C1OC1C1CO1","C1C(O1)C2OC2",{"$nulls":4},86.036779432,"?"]
[2184,"CCC(C)C(C)(C)C","564-02-3","CCC(C)C(C)(C)C","CCC(C)C(C)(C)C",{"$nulls":4},114.14085057599999,"?"]
[2185,"C[CH]1[CH]2[CH](O)[CH]3[CH](N(C)C)C(=O)C(=C(N)O)C(=O)[C]3(O)C(=O)C2=C(O)c4c(O)cccc14","564-25-0","CC1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(=O)C(=C(N)O)C(=O)C(N(C)C)C3C(O)C21","CC1C2C(=C(c3c1cccc3O)O)C(=O)C4(C(C(C(C(C4=O)=C(N)O)=O)N(C)C)C2O)O",{"$nulls":4},444.1532657280006,"?"]
[2186,null,"565-07-1",{"$nulls":7},""]
[2187,"CC(=O)Nc1ccc(cc1)[S](=O)(=O)c2ccc(N)cc2","565-20-8","CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N",{"$nulls":4},290.0725133080004,"?"]
[2188,"CC(C)(O)C1CCC(C)(O)CC1","565-50-4","CC1(O)CCC(C(C)(C)O)CC1","CC1(CCC(CC1)C(C)(C)O)O",{"$nulls":4},172.14632988,"?"]
[2189,"CCC(C)C(C)C","565-59-3","CCC(C)C(C)C","CCC(C)C(C)C",{"$nulls":4},100.12520051199999,"?"]
[2190,"CCC(C)C(C)O","565-60-6","CCC(C)C(C)O","CCC(C)C(C)O",{"$nulls":4},102.104465068,"?"]
[2191,"CCC(C)C(C)=O","565-61-7","CCC(C)C(C)=O","CCC(C)C(C)=O",{"$nulls":4},100.088815004,"?"]
[2192,"CCC(O)C(C)C","565-67-3","CCC(O)C(C)C","CCC(O)C(C)C",{"$nulls":4},102.104465068,"?"]
[2193,"CCC(=O)C(C)C","565-69-5","CCC(=O)C(C)C","CCC(=O)C(C)C",{"$nulls":4},100.088815004,"?"]
[2194,"NCC(O)C(O)=O","565-71-9","NCC(O)C(=O)O","NCC(O)C(=O)O",{"$nulls":4},105.042593084,"?"]
[2195,"CC(C)C(Br)C(O)=O","565-74-2","CC(C)C(Br)C(=O)O","CC(C)C(Br)C(=O)O",{"$nulls":4},179.978591628,"?"]
[2196,"CC(C)C(C)C(C)C","565-75-3","CC(C)C(C)C(C)C","CC(C)C(C)C(C)C",{"$nulls":4},114.14085057599999,"?"]
[2197,"CC(C)C(=O)C(C)C","565-80-0","CC(C)C(=O)C(C)C","CC(C)C(=O)C(C)C",{"$nulls":4},114.104465068,"?"]
[2198,"CC(N)C(O)C(O)=O","565-81-1","CC(N)C(O)C(=O)O","CC(N)C(O)C(=O)O",{"$nulls":4},119.058243148,"?"]
[2199,"COc1cc(cc(OC)c1O)[CH]2[CH]3[CH](COC3=O)Cc4c(O)c5OCOc5cc24","568-53-6","COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1O","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)O",{"$nulls":4},400.1158176000005,"?"]
[2200,"COc1ccc2COC(=O)c2c1OC","569-31-3","COc1ccc2c(c1OC)C(=O)OC2","COc1c(c2c(cc1)COC2=O)OC",{"$nulls":4},194.0579088,"?"]
[2201,"OC(=O)c1cccc(C(O)=O)c1C(O)=O","569-51-7","O=C(O)c1cccc(C(=O)O)c1C(=O)O","O=C(O)c1c(c(ccc1)C(=O)O)C(=O)O",{"$nulls":4},210.01643791200001,"?"]
[2202,"OC(=O)c1[nH]cnc1C(O)=O","570-22-9","O=C(O)c1nc[nH]c1C(=O)O","O=C(O)c1c([nH]cn1)C(=O)O",{"$nulls":4},156.017106608,"?"]
[2203,"Cc1ccc(C)c2ccccc12","571-58-4","Cc1ccc(C)c2ccccc12","Cc1c2c(c(cc1)C)cccc2",{"$nulls":4},156.093900384,"?"]
[2204,"Cc1cccc2c(C)cccc12","571-61-9","Cc1cccc2c(C)cccc12","Cc1c2c(ccc1)c(C)ccc2",{"$nulls":4},156.093900384,"?"]
[2205,"OC1C(O)C(O)C(O[P](O)(O)=O)C(O)C1O","573-35-3","O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O","O=P(O)(O)OC1C(C(C(C(C1O)O)O)O)O",{"$nulls":4},260.02971862600015,"?"]
[2206,"Oc1c(cccc1[N+]([O-])=O)[N+]([O-])=O","573-56-8","O=[N+]([O-])c1cccc([N+](=O)[O-])c1O","O=[N+]([O-])c1c(c(ccc1)[N+](=O)[O-])O",{"$nulls":4},184.012021228,"?"]
[2207,"O[S](=O)(=O)c1ccc(NN=C2C(=O)C=Cc3ccccc23)cc1","573-89-7","O=C1C=Cc2ccccc2C1=NNc1ccc(S(=O)(=O)O)cc1","O=C1C(c2c(C=C1)cccc2)=NNc3ccc(cc3)S(=O)(=O)O","C.I",{"$nulls":3},471.9953760240003,"?"]
[2208,null,"575-41-7",{"$nulls":7},""]
[2209,"COCOC(=O)c1ccccc1O","575-82-6","COCOC(=O)c1ccccc1O","COCOC(=O)c1c(cccc1)O",{"$nulls":4},182.0579088,"?"]
[2210,"OC(=O)COc1c(Cl)cc(Cl)cc1Cl","575-89-3","O=C(O)COc1c(Cl)cc(Cl)cc1Cl","O=C(O)COc1c(cc(cc1Cl)Cl)Cl",{"$nulls":4},253.93042705999997,"?"]
[2211,"Oc1cccc(Cl)c1Cl","576-24-9","Oc1cccc(Cl)c1Cl","Oc1c(c(ccc1)Cl)Cl",{"$nulls":4},161.963920108,"?"]
[2212,"Cc1cccc(C)c1O","576-26-1","Cc1cccc(C)c1O","Cc1c(c(ccc1)C)O",{"$nulls":4},122.07316494,"?"]
[2213,"OC(=O)C1CCNCC1C(O)=O","577-58-2","O=C(O)C1CCNCC1C(=O)O","O=C(O)C1C(CNCC1)C(=O)O",{"$nulls":4},173.068807832,"?"]
[2214,null,"577-66-2",{"$nulls":7},""]
[2215,"Oc1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O","577-71-9","O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]","O=[N+]([O-])c1c(cc(cc1)O)[N+](=O)[O-]",{"$nulls":4},184.012021228,"?"]
[2216,"Nc1cccc2nc3ccccc3cc12","578-06-3","Nc1cccc2nc3ccccc3cc12","Nc1c2c(ccc1)nc3c(cccc3)c2",{"$nulls":4},194.08439832,"?"]
[2217,"Oc1cccc2ncccc12","578-67-6","Oc1cccc2ncccc12","Oc1c2c(ccc1)nccc2",{"$nulls":4},145.052763844,"?"]
[2218,"CC(=O)C(=O)c1ccccc1","579-07-7","CC(=O)C(=O)c1ccccc1","CC(=O)C(=O)c1ccccc1",{"$nulls":4},148.052429496,"?"]
[2219,"CN(C(C)=O)c1ccccc1","579-10-2","CC(=O)N(C)c1ccccc1","CC(=O)N(C)c1ccccc1",{"$nulls":4},149.084063972,"?"]
[2220,"OC(C(O)c1ccccc1)c2ccccc2","579-43-1","OC(c1ccccc1)C(O)c1ccccc1","OC(c1ccccc1)C(O)c2ccccc2",{"$nulls":4},214.099379688,"?"]
[2221,"OC(c1ccccc1)C(=O)c2ccccc2","579-44-2","O=C(c1ccccc1)C(O)c1ccccc1","O=C(c1ccccc1)C(O)c2ccccc2",{"$nulls":4},212.083729624,"?"]
[2222,"CCc1cccc(CC)c1N","579-66-8","CCc1cccc(CC)c1N","CCc1c(c(ccc1)CC)N",{"$nulls":4},149.12044948,"?"]
[2223,"COOC(=O)c1ccccc1","579-75-9","COOC(=O)c1ccccc1","COOC(=O)c1ccccc1",{"$nulls":4},152.04734411599998,"?"]
[2224,"Brc1ccc2ccccc2c1","580-13-2","Brc1ccc2ccccc2c1","Brc1cc2c(cc1)cccc2",{"$nulls":4},205.973112324,"?"]
[2225,null,"580-16-5",{"$nulls":7},""]
[2226,"Oc1cnc2ccccc2c1","580-18-7","Oc1cnc2ccccc2c1","Oc1cc2c(nc1)cccc2",{"$nulls":4},145.052763844,"?"]
[2227,"Oc1ccc2cccnc2c1","580-20-1","Oc1ccc2cccnc2c1","Oc1cc2c(cc1)cccn2",{"$nulls":4},145.052763844,"?"]
[2228,"CCN(CC)c1nc(Cl)nc(n1)N(CC)CC","580-48-3","CCN(CC)c1nc(Cl)nc(N(CC)CC)n1","CCN(CC)c1nc(nc(n1)Cl)N(CC)CC",{"$nulls":4},257.14072332,"?"]
[2229,"Cc1cc2ccccc2cc1C","581-40-8","Cc1cc2ccccc2cc1C","Cc1c(cc2c(c1)cccc2)C",{"$nulls":4},156.093900384,"?"]
[2230,"Cc1ccc2cc(C)ccc2c1","581-42-0","Cc1ccc2cc(C)ccc2c1","Cc1cc2c(cc1)cc(C)cc2",{"$nulls":4},156.093900384,"?"]
[2231,"Oc1ccc2cc(O)ccc2c1","581-43-1","Oc1ccc2cc(O)ccc2c1","Oc1cc2c(cc1)cc(O)cc2",{"$nulls":4},160.052429496,"?"]
[2232,"C1N[CH](CC=C1)c2cccnc2","581-49-7","C1=CCC(c2cccnc2)NC1","C=1CNC(CC1)c2cnccc2",{"$nulls":4},160.100048384,"?"]
[2233,"c1ccc(nc1)c2cccnc2","581-50-0","c1ccc(-c2cccnc2)nc1","c1cnc(cc1)-c2cnccc2",{"$nulls":4},156.068748256,"?"]
[2234,"[O-][N+](=O)c1ccc2ccccc2c1","581-89-5","O=[N+]([O-])c1ccc2ccccc2c1","O=[N+]([O-])c1cc2c(cc1)cccc2",{"$nulls":4},173.047678464,"?"]
[2235,null,"582-52-5",{"$nulls":7},""]
[2236,"S=C1NC2=CNC=NC2=N1","583-40-4","S=c1nc2nc[nH]cc-2[nH]1","S=c1[nH]c2-c(n1)nc[nH]c2",{"$nulls":4},152.015667128,"?"]
[2237,"[K+].[K+].[O-]C(=O)C([O-])=O","583-52-8","O=C([O-])C(=O)[O-]","O=C(O)C(=O)O","[K+]","[K+]",null,null,165.90707184000001,"Structure has been neutralized"]
[2238,"Brc1ccccc1Br","583-53-9","Brc1ccccc1Br","Brc1c(cccc1)Br",{"$nulls":4},233.867974328,"?"]
[2239,"CC1CCCCC1C","583-57-3","CC1CCCCC1C","CC1C(CCCC1)C",{"$nulls":4},112.12520051199999,"?"]
[2240,"Cc1ccncc1C","583-58-4","Cc1ccncc1C","Cc1c(cncc1)C",{"$nulls":4},107.073499288,"?"]
[2241,"Cc1cccnc1C","583-61-9","Cc1cccnc1C","Cc1c(nccc1)C",{"$nulls":4},107.073499288,"?"]
[2242,"Oc1cc(Cl)ccc1Cl","583-78-8","Oc1cc(Cl)ccc1Cl","Oc1c(ccc(c1)Cl)Cl",{"$nulls":4},161.963920108,"?"]
[2243,"CCC(O)CC","584-02-1","CCC(O)CC","CCC(O)CC",{"$nulls":4},88.088815004,"?"]
[2244,"CCC(O)CO","584-03-2","CCC(O)CO","CCC(O)CO",{"$nulls":4},90.06807956,"?"]
[2245,"CC(C)=CC1C(C(=O)OC2CC(=O)C(=C2C)CC=C)C1(C)C","584-79-2","C=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O","C=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",{"$nulls":4},302.1881946920007,"?"]
[2246,null,"584-98-5",{"$nulls":7},""]
[2247,"C[CH](NC(N)=O)C(O)=O","585-04-6","CC(NC(N)=O)C(=O)O","CC(NC(N)=O)C(=O)O",{"$nulls":4},132.053492116,"?"]
[2248,"CC(=C)C(=O)OC(C)(C)C","585-07-9","C=C(C)C(=O)OC(C)(C)C","C=C(C)C(=O)OC(C)(C)C",{"$nulls":4},142.099379688,"?"]
[2249,"CC(C)(C)c1cccc(O)c1","585-34-2","CC(C)(C)c1cccc(O)c1","CC(C)(C)c1cc(ccc1)O",{"$nulls":4},150.104465068,"?"]
[2250,"OC(=O)c1oc(Br)cc1","585-70-6","O=C(O)c1ccc(Br)o1","O=C(O)c1oc(cc1)Br",{"$nulls":4},189.926556056,"?"]
[2251,"OC(=O)c1cccc(Br)c1","585-76-2","O=C(O)c1cccc(Br)c1","O=C(O)c1cc(ccc1)Br",{"$nulls":4},199.9472915,"?"]
[2252,"[O-][N+](=O)c1cccc(Br)c1","585-79-5","O=[N+]([O-])c1cccc(Br)c1","O=[N+]([O-])c1cc(ccc1)Br",{"$nulls":4},200.942540468,"?"]
[2253,"OC(=O)CC(=CC(O)=O)C(O)=O","585-84-2","O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O",{"$nulls":4},174.01643791200001,"?"]
[2254,"OC[CH](O)[CH](O)[CH](O[CH]1O[CH](CO)[CH](O)C(O)[CH]1O)[CH](O)CO","585-86-4","OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO","OCC(O)C(O)C(OC1C(C(C(C(O1)CO)O)O)O)C(O)CO",{"$nulls":4},344.1318615880006,"?"]
[2255,"OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O","585-99-9","OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O",{"$nulls":4},342.11621152400056,"?"]
[2256,"Oc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O","586-11-8","O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1","O=[N+]([O-])c1cc(cc(c1)O)[N+](=O)[O-]",{"$nulls":4},184.012021228,"?"]
[2257,"OC(=O)c1ccc(C(O)=O)c(Br)c1","586-35-6","O=C(O)c1ccc(C(=O)O)c(Br)c1","O=C(O)c1cc(c(cc1)C(=O)O)Br",{"$nulls":4},243.93712074,"?"]
[2258,"CC(C)=C1CCC(=CC1)C","586-62-9","CC1=CCC(=C(C)C)CC1","CC=1CCC(CC1)=C(C)C",{"$nulls":4},136.125200512,"?"]
[2259,"OC(=O)c1ccc(Br)cc1","586-76-5","O=C(O)c1ccc(Br)cc1","O=C(O)c1ccc(cc1)Br",{"$nulls":4},199.9472915,"?"]
[2260,null,"586-84-5",{"$nulls":7},""]
[2261,"OCc1ccncc1","586-95-8","OCc1ccncc1","OCc1ccncc1",{"$nulls":4},109.052763844,"?"]
[2262,"NC(O)=O.OC(CCl)CCl","587-01-9","OC(CCl)CCl","OC(CCl)CCl","NC(O)=O",{"$nulls":3},188.995948508,"?"]
[2263,"Cc1cccc(CO)c1","587-03-1","Cc1cccc(CO)c1","Cc1cc(ccc1)CO",{"$nulls":4},122.07316494,"?"]
[2264,"CCCOC(=O)CN1C=C(I)C(=O)C(=C1)I","587-61-1","CCCOC(=O)Cn1cc(I)c(=O)c(I)c1","CCCOC(=O)Cn1cc(c(c(c1)I)=O)I",{"$nulls":4},446.88283921200025,"?"]
[2265,"OC(=O)COc1cc(Cl)cc(Cl)c1","587-64-4","O=C(O)COc1cc(Cl)cc(Cl)c1","O=C(O)COc1cc(cc(c1)Cl)Cl",{"$nulls":4},219.96939941199997,"?"]
[2266,"OC(=O)COc1ccc(Cl)c(Cl)c1","588-22-7","O=C(O)COc1ccc(Cl)c(Cl)c1","O=C(O)COc1cc(c(cc1)Cl)Cl",{"$nulls":4},219.96939941199997,"?"]
[2267,"OC(=O)COc1cccc(Cl)c1","588-32-9","O=C(O)COc1cccc(Cl)c1","O=C(O)COc1cc(ccc1)Cl",{"$nulls":4},186.00837176399997,"?"]
[2268,"c1ccc(cc1)C=Cc2ccccc2","588-59-0","C(=Cc1ccccc1)c1ccccc1","C(=Cc1ccccc1)c2ccccc2",{"$nulls":4},180.093900384,"?"]
[2269,"Cc1ccc(CO)cc1","589-18-4","Cc1ccc(CO)cc1","Cc1ccc(cc1)CO",{"$nulls":4},122.07316494,"?"]
[2270,"OCc1ccc(CO)cc1","589-29-7","OCc1ccc(CO)cc1","OCc1ccc(cc1)CO",{"$nulls":4},138.06807956,"?"]
[2271,"CCCC(C)CC","589-34-4","CCCC(C)CC","CCCC(C)CC",{"$nulls":4},100.12520051199999,"?"]
[2272,"CCC(C)CCO","589-35-5","CCC(C)CCO","CCC(C)CCO",{"$nulls":4},102.104465068,"?"]
[2273,"CCCC(=O)CC","589-38-8","CCCC(=O)CC","CCCC(=O)CC",{"$nulls":4},100.088815004,"?"]
[2274,"CCCC(O)CCC","589-55-9","CCCC(O)CCC","CCCC(O)CCC",{"$nulls":4},116.120115132,"?"]
[2275,"CCCCC(C)CC","589-81-1","CCCCC(C)CC","CCCCC(C)CC",{"$nulls":4},114.14085057599999,"?"]
[2276,"CCCCC(O)CC","589-82-2","CCCCC(O)CC","CCCCC(O)CC",{"$nulls":4},116.120115132,"?"]
[2277,"Brc1ccc(I)cc1","589-87-7","Brc1ccc(I)cc1","Brc1ccc(cc1)I",{"$nulls":4},281.8541102280001,"?"]
[2278,"CC1CCC(C)CC1","589-90-2","CC1CCC(C)CC1","CC1CCC(CC1)C",{"$nulls":4},112.12520051199999,"?"]
[2279,"CC1CCC(O)CC1","589-91-3","CC1CCC(O)CC1","CC1CCC(CC1)O",{"$nulls":4},114.104465068,"?"]
[2280,"Cc1ccc(C)nc1","589-93-5","Cc1ccc(C)nc1","Cc1cnc(cc1)C",{"$nulls":4},107.073499288,"?"]
[2281,null,"589-97-9",{"$nulls":7},""]
[2282,"CCCCOC(=O)CC","590-01-2","CCCCOC(=O)CC","CCCCOC(=O)CC",{"$nulls":4},130.099379688,"?"]
[2283,"BrC=CBr","590-11-4","BrC=CBr","BrC=CBr",{"$nulls":4},183.852324264,"?"]
[2284,"CC=CC","590-18-1","CC=CC","CC=CC",{"$nulls":4},56.062600255999996,"?"]
[2285,"IC=CI","590-26-1","IC=CI","IC=CI",{"$nulls":4},279.82459606400005,"?"]
[2286,"IC=CI","590-27-2","IC=CI","IC=CI",{"$nulls":4},279.82459606400005,"?"]
[2287,"[K+].[O-]C#N","590-28-3","N#C[O-]","N#CO","[K+]",{"$nulls":3},80.9616953,"Structure has been neutralized"]
[2288,"[K+].[O-]C=O","590-29-4","O=C[O-]","O=CO","[K+]",{"$nulls":3},83.961360952,"Structure has been neutralized"]
[2289,"CCCC(C)(C)C","590-35-2","CCCC(C)(C)C","CCCC(C)(C)C",{"$nulls":4},100.12520051199999,"?"]
[2290,"CCCC(C)(C)O","590-36-3","CCCC(C)(C)O","CCCC(C)(C)O",{"$nulls":4},102.104465068,"?"]
[2291,"[Cl-].CC(C[N+](C)(C)C)OC(N)=O","590-63-6","CC(C[N+](C)(C)C)OC(N)=O","CC(C[N+](C)(C)C)OC(N)=O","[Cl-]",{"$nulls":3},196.097855464,"?"]
[2292,"CCCCC(C)(C)C","590-73-8","CCCCC(C)(C)C","CCCCC(C)(C)C",{"$nulls":4},114.14085057599999,"?"]
[2293,"CC(C)CC=O","590-86-3","CC(C)CC=O","CC(C)CC=O",{"$nulls":4},86.07316494,"?"]
[2294,"NC(N)=NC(N)=O.NC(N)=NC(N)=O.O[S](O)(=O)=O","591-01-5","NC(=O)N=C(N)N","NC(=O)N=C(N)N","NC(N)=NC(N)=O","OS(O)(=O)=O",null,null,302.075701168,"?"]
[2295,"CC(=O)NC(N)=O","591-07-1","CC(=O)NC(N)=O","CC(=O)NC(N)=O",{"$nulls":4},102.042927432,"?"]
[2296,"CC(=O)NC(N)=S","591-08-2","CC(=O)NC(N)=S","CC(=O)NC(N)=S",{"$nulls":4},118.020083812,"?"]
[2297,"CC1=CCC(=O)O1","591-12-8","CC1=CCC(=O)O1","CC=1OC(CC1)=O",{"$nulls":4},98.036779432,"?"]
[2298,"Cc1cccc(Br)c1","591-17-3","Cc1cccc(Br)c1","Cc1cc(ccc1)Br",{"$nulls":4},169.973112324,"?"]
[2299,"Oc1cccc(Br)c1","591-20-8","Oc1cccc(Br)c1","Oc1cc(ccc1)Br",{"$nulls":4},171.95237688,"?"]
[2300,"Cc1cncc(C)c1","591-22-0","Cc1cncc(C)c1","Cc1cc(cnc1)C",{"$nulls":4},107.073499288,"?"]
[2301,"CC1CCCC(=O)C1","591-24-2","CC1CCCC(=O)C1","CC1CC(CCC1)=O",{"$nulls":4},112.088815004,"?"]
[2302,"Nc1cccc(O)c1","591-27-5","Nc1cccc(O)c1","Nc1cc(ccc1)O",{"$nulls":4},109.052763844,"?"]
[2303,"Oc1cc(Cl)cc(Cl)c1","591-35-5","Oc1cc(Cl)cc(Cl)c1","Oc1cc(cc(c1)Cl)Cl",{"$nulls":4},161.963920108,"?"]
[2304,"CC1=CCCCC1","591-49-1","CC1=CCCCC1","CC=1CCCCC1",{"$nulls":4},96.093900384,"?"]
[2305,"Ic1ccccc1","591-50-4","Ic1ccccc1","Ic1ccccc1",{"$nulls":4},203.94359816,"?"]
[2306,"CCCCC(C)C","591-76-4","CCCCC(C)C","CCCCC(C)C",{"$nulls":4},100.12520051199999,"?"]
[2307,"CCCCC(C)=O","591-78-6","CCCCC(C)=O","CCCCC(C)=O",{"$nulls":4},100.088815004,"?"]
[2308,"CC=NNC(N)=O","591-86-6","CC=NNC(N)=O","CC=NNC(N)=O",{"$nulls":4},101.058911844,"?"]
[2309,"CC(=O)OCC=C","591-87-7","C=CCOC(C)=O","C=CCOC(C)=O",{"$nulls":4},100.052429496,"?"]
[2310,"C=CCC=C","591-93-5","C=CCC=C","C=CCC=C",{"$nulls":4},68.062600256,"?"]
[2311,"CC=CCCl","591-97-9","CC=CCCl","CC=CCCl",{"$nulls":4},90.023627904,"?"]
[2312,"CCCCOC(N)=O","592-35-8","CCCCOC(N)=O","CCCCOC(N)=O",{"$nulls":4},117.078978592,"?"]
[2313,"CCCCC=C","592-41-6","C=CCCCC","C=CCCCC",{"$nulls":4},84.093900384,"?"]
[2314,"C=CCCC=C","592-42-7","C=CCCC=C","C=CCCC=C",{"$nulls":4},82.07825032,"?"]
[2315,"CCCCCC=C","592-76-7","C=CCCCCC","C=CCCCCC",{"$nulls":4},98.109550448,"?"]
[2316,"CCCCC=CC","592-77-8","CC=CCCCC","CC=CCCCC",{"$nulls":4},98.109550448,"?"]
[2317,null,"592-84-7",{"$nulls":7},""]
[2318,"CCCCCCCCCCCCCCCCCC","593-45-3","CCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCC",{"$nulls":4},254.29735121599998,"?"]
[2319,"CF","593-53-3","CF","CF",{"$nulls":4},34.021878316,"?"]
[2320,"CC[AsH2]","593-59-9","CC[AsH2]","CC[AsH2]",{"$nulls":4},105.976371724,"Errors in neutralization"]
[2321,"FCCl","593-70-4","FCCl","FCCl",{"$nulls":4},67.982905964,"?"]
[2322,"C[Se]C","593-79-3","C[Se]C","C[Se]C",{"$nulls":4},109.963471492,"?"]
[2323,"CCC(C)(C)Cl","594-36-5","CCC(C)(C)Cl","CCC(C)(C)Cl",{"$nulls":4},106.05492803199999,"?"]
[2324,"NC(=O)C(Br)(Br)Br","594-47-8","NC(=O)C(Br)(Br)Br","NC(=O)C(Br)(Br)Br",{"$nulls":4},292.76864998400004,"?"]
[2325,"CC(C)C(C)(C)O","594-60-5","CC(C)C(C)(C)O","CC(C)C(C)(C)O",{"$nulls":4},102.104465068,"?"]
[2326,"NC(=O)C(Cl)(Cl)Cl","594-65-0","NC(=O)C(Cl)(Cl)Cl","NC(=O)C(Cl)(Cl)Cl",{"$nulls":4},160.920196724,"?"]
[2327,"CC(Cl)(Cl)[N+]([O-])=O","594-72-9","CC(Cl)(Cl)[N+](=O)[O-]","CC(Cl)(Cl)[N+](=O)[O-]",{"$nulls":4},142.954083696,"?"]
[2328,"CC(C)(C)C(C)(C)O","594-83-2","CC(C)(C)C(C)(C)O","CC(C)(C)C(C)(C)O",{"$nulls":4},116.120115132,"?"]
[2329,"CC(=O)O[C]1(CC[CH]2[CH]3C=C(C)C4=CC(=O)CC[C]4(C)[CH]3CC[C]12C)C(C)=O","595-33-5","CC(=O)OC1(C(C)=O)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C(C)=O",{"$nulls":4},384.23005950400085,"?"]
[2330,"CCC(C)(N)C(O)=O","595-39-1","CCC(C)(N)C(=O)O","CCC(C)(N)C(=O)O",{"$nulls":4},117.078978592,"?"]
[2331,"CCC(C)(O)C(C)C","595-41-5","CCC(C)(O)C(C)C","CCC(C)(O)C(C)C",{"$nulls":4},116.120115132,"?"]
[2332,"CCC(Cl)(Cl)[N+]([O-])=O","595-44-8","CCC(Cl)(Cl)[N+](=O)[O-]","CCC(Cl)(Cl)[N+](=O)[O-]",{"$nulls":4},156.96973376,"?"]
[2333,"CC(C)(C(O)=O)C(O)=O","595-46-0","CC(C)(C(=O)O)C(=O)O","CC(C)(C(=O)O)C(=O)O",{"$nulls":4},132.042258736,"?"]
[2334,"CCC(CO)(CO)[N+]([O-])=O","597-09-1","CCC(CO)(CO)[N+](=O)[O-]","CCC(CO)(CO)[N+](=O)[O-]",{"$nulls":4},149.068807832,"?"]
[2335,"CC(C)(CO)C=O","597-31-9","CC(C)(C=O)CO","CC(C)(C=O)CO",{"$nulls":4},102.06807956,"?"]
[2336,"CC(O)(CCl)CCl","597-32-0","CC(O)(CCl)CCl","CC(O)(CCl)CCl",{"$nulls":4},141.995220236,"?"]
[2337,"CC[S](=O)(=O)CC","597-35-3","CCS(=O)(=O)CC","CCS(=O)(=O)CC",{"$nulls":4},122.04015056,"?"]
[2338,"CC(C)(CC(O)=O)C(O)=O","597-43-3","CC(C)(CC(=O)O)C(=O)O","CC(C)(CC(=O)O)C(=O)O",{"$nulls":4},146.0579088,"?"]
[2339,"CCC(O)(CC)CC","597-49-9","CCC(O)(CC)CC","CCC(O)(CC)CC",{"$nulls":4},116.120115132,"?"]
[2340,"NC(=O)CC(O)(CC(N)=O)C(N)=O","597-59-1","NC(=O)CC(O)(CC(N)=O)C(N)=O","NC(=O)CC(O)(CC(N)=O)C(N)=O",{"$nulls":4},189.074955832,"?"]
[2341,null,"597-71-7",{"$nulls":7},""]
[2342,"CCCC(C)(O)CC","597-96-6","CCCC(C)(O)CC","CCCC(C)(O)CC",{"$nulls":4},116.120115132,"?"]
[2343,"CCCC(C)(O)CCC","598-01-6","CCCC(C)(O)CCC","CCCC(C)(O)CCC",{"$nulls":4},130.135765196,"?"]
[2344,"CCCCC(C)(O)CC","598-06-1","CCCCC(C)(O)CC","CCCCC(C)(O)CC",{"$nulls":4},130.135765196,"?"]
[2345,"CC1(CCl)CO1","598-09-4","CC1(CCl)CO1","CC1(OC1)CCl",{"$nulls":4},106.018542524,"?"]
[2346,"ClC(Br)CBr","598-20-9","ClC(Br)CBr","ClC(Br)CBr",{"$nulls":4},219.829001976,"?"]
[2347,"CNC(N)=O","598-50-5","CNC(N)=O","CNC(N)=O",{"$nulls":4},74.048012812,"?"]
[2348,"COC(C)C","598-53-8","COC(C)C","COC(C)C",{"$nulls":4},74.07316494,"?"]
[2349,"COC(N)=O","598-55-0","COC(N)=O","COC(N)=O",{"$nulls":4},75.0320284,"?"]
[2350,"NC(=O)C(Br)Br","598-70-9","NC(=O)C(Br)Br","NC(=O)C(Br)Br",{"$nulls":4},214.858137916,"?"]
[2351,"CC(C)C(C)O","598-75-4","CC(C)C(C)O","CC(C)C(C)O",{"$nulls":4},88.088815004,"?"]
[2352,"CC(Cl)C(Cl)Cl","598-77-6","CC(Cl)C(Cl)Cl","CC(Cl)C(Cl)Cl",{"$nulls":4},145.9456832,"?"]
[2353,"CC(Cl)C(O)=O","598-78-7","CC(Cl)C(=O)O","CC(Cl)C(=O)O",{"$nulls":4},107.99780708,"?"]
[2354,null,"598-82-3",{"$nulls":7},""]
[2355,"CC(Cl)[N+]([O-])=O","598-92-5","CC(Cl)[N+](=O)[O-]","CC(Cl)[N+](=O)[O-]",{"$nulls":4},108.993056048,"?"]
[2356,null,"599-75-7",{"$nulls":7},""]
[2357,"Nc1ccc(cc1)[S](=O)(=O)Nc2ncccn2","599-82-6","Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",{"$nulls":4},250.05244656,"?"]
[2358,null,"599-84-8",{"$nulls":7},""]
[2359,"Cc1cnc(N[S](=O)(=O)c2ccc(N)cc2)nc1","599-88-2","Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1","Cc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},264.06809662400025,"?"]
[2360,"CCOC(OCC)C(Cl)(Cl)Cl","599-97-3","CCOC(OCC)C(Cl)(Cl)Cl","CCOC(OCC)C(Cl)(Cl)Cl",{"$nulls":4},219.982462632,"?"]
[2361,null,"600-13-5",{"$nulls":7},""]
[2362,"CCC(=O)C(C)=O","600-14-6","CCC(=O)C(C)=O","CCC(=O)C(C)=O",{"$nulls":4},100.052429496,"?"]
[2363,"CCC(Cl)[N+]([O-])=O","600-25-9","CCC(Cl)[N+](=O)[O-]","CCC(Cl)[N+](=O)[O-]",{"$nulls":4},123.008706112,"?"]
[2364,"CC(C)C(O)C(C)C","600-36-2","CC(C)C(O)C(C)C","CC(C)C(O)C(C)C",{"$nulls":4},116.120115132,"?"]
[2365,"CCC(C(O)=O)C(O)=O","601-75-2","CCC(C(=O)O)C(=O)O","CCC(C(=O)O)C(=O)O",{"$nulls":4},132.042258736,"?"]
[2366,null,"601-77-4",{"$nulls":7},""]
[2367,"Oc1cccc(O)c1[N+]([O-])=O","601-89-8","O=[N+]([O-])c1c(O)cccc1O","O=[N+]([O-])c1c(cccc1O)O",{"$nulls":4},155.02185764,"?"]
[2368,"[O-][N+](=O)c1cccc2cccc(c12)[N+]([O-])=O","602-38-0","O=[N+]([O-])c1cccc2cccc([N+](=O)[O-])c12","O=[N+]([O-])c1c2c(ccc1)cccc2[N+](=O)[O-]",{"$nulls":4},218.032756672,"?"]
[2369,"[O-][N+](=O)c1c2ccccc2cc3ccccc13","602-60-8","O=[N+]([O-])c1c2ccccc2cc2ccccc12","O=[N+]([O-])c1c2c(cc3c1cccc3)cccc2",{"$nulls":4},223.063328528,"?"]
[2370,"[O-][N+](=O)c1ccc2CCc3cccc1c23","602-87-9","O=[N+]([O-])c1ccc2c3c(cccc13)CC2","O=[N+]([O-])c1c2c3c(cc1)CCc3ccc2",{"$nulls":4},199.063328528,"?"]
[2371,"OC(=O)c1c(Br)c(O)c(O)c(O)c1Br","602-92-6","O=C(O)c1c(Br)c(O)c(O)c(O)c1Br","O=C(O)c1c(c(c(c(c1Br)O)O)O)Br",{"$nulls":4},325.8425474280001,"?"]
[2372,"Cc1c(cc(c(O)c1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","602-99-3","Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c1[N+](=O)[O-]","Cc1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-]",{"$nulls":4},243.0127495,"?"]
[2373,"CC(O)Cn1cnc2N(C)C(=O)N(C)C(=O)c12","603-00-9","CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C","CC(O)Cn1c2c(nc1)n(c(n(c2=O)C)=O)C",{"$nulls":4},238.106590308,"?"]
[2374,"OC(=O)c1cccc(c1C(O)=O)[N+]([O-])=O","603-11-2","O=C(O)c1cccc([N+](=O)[O-])c1C(=O)O","O=C(O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O",{"$nulls":4},211.01168688,"?"]
[2375,"Oc1ccc(cc1)C(c2ccc(O)cc2)=C3C=CC(=O)C=C3","603-45-2","O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C=C1","O=C1C=CC(C=C1)=C(c2ccc(cc2)O)c3ccc(cc3)O",{"$nulls":4},290.09429430800037,"?"]
[2376,null,"603-63-4",{"$nulls":7},""]
[2377,"CCOC(=O)c1ccccc1C(=O)c2ccccc2","604-61-5","CCOC(=O)c1ccccc1C(=O)c1ccccc1","CCOC(=O)c1c(cccc1)C(=O)c2ccccc2",{"$nulls":4},254.094294308,"?"]
[2378,"CC(=O)OC[CH]1O[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O","604-69-3","CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O","CC(=O)OCC1C(C(C(C(O1)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O",{"$nulls":4},390.11621152400056,"?"]
[2379,"Oc1ccc2C(=O)c3ccccc3C(=O)c2c1","605-32-3","O=C1c2ccccc2C(=O)c2cc(O)ccc21","O=C1c2c(C(c3c1cccc3)=O)cc(O)cc2",{"$nulls":4},224.047344116,"?"]
[2380,null,"605-45-8",{"$nulls":7},""]
[2381,"[O-][N+](=O)c1cccc2c1cccc2[N+]([O-])=O","605-71-0","O=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12","O=[N+]([O-])c1c2c(ccc1)c([N+](=O)[O-])ccc2",{"$nulls":4},218.032756672,"?"]
[2382,"Cc1c(cccc1[N+]([O-])=O)[N+]([O-])=O","606-20-2","Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]","Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},182.032756672,"?"]
[2383,"COC(=O)c1ccccc1C(=O)c2ccccc2","606-28-0","COC(=O)c1ccccc1C(=O)c1ccccc1","COC(=O)c1c(cccc1)C(=O)c2ccccc2",{"$nulls":4},240.078644244,"?"]
[2384,"[O-][N+](=O)c1cc2C(=O)NC(=O)Nc2c(c1)[N+]([O-])=O","606-33-7","O=c1[nH]c(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[nH]1","O=c1[nH]c2c(c([nH]1)=O)cc([N+](=O)[O-])cc2[N+](=O)[O-]",{"$nulls":4},252.013083848,"?"]
[2385,"COc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","606-35-9","COc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},243.0127495,"?"]
[2386,null,"606-43-9",{"$nulls":7},""]
[2387,"[O-][N+](=O)c1ccc2c(Cc3ccccc23)c1","607-57-8","O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2","O=[N+]([O-])c1cc2c(cc1)-c3c(C2)cccc3",{"$nulls":4},211.063328528,"?"]
[2388,"Cc1cc(O)c2ccccc2n1","607-67-0","Cc1cc(O)c2ccccc2n1","Cc1nc2c(c(c1)O)cccc2",{"$nulls":4},159.068413908,"?"]
[2389,"CC1=CC(=O)Oc2ccccc12","607-71-6","Cc1cc(=O)oc2ccccc12","Cc1c2c(oc(c1)=O)cccc2",{"$nulls":4},160.052429496,"?"]
[2390,"Brc1cccc(Br)c1Br","608-21-9","Brc1cccc(Br)c1Br","Brc1c(c(ccc1)Br)Br",{"$nulls":4},311.77848639600006,"?"]
[2391,"Cc1c(O)cccc1O","608-25-3","Cc1c(O)cccc1O","Cc1c(cccc1O)O",{"$nulls":4},124.052429496,"?"]
[2392,"OC(=O)[CH](Br)[CH](Br)C(O)=O","608-36-6","O=C(O)C(Br)C(Br)C(=O)O","O=C(O)C(Br)C(Br)C(=O)O",{"$nulls":4},273.8476328080001,"?"]
[2393,null,"608-39-9",{"$nulls":7},""]
[2394,"C[CH]([CH](C)C(O)=O)C(O)=O","608-40-2","CC(C(=O)O)C(C)C(=O)O","CC(C(=O)O)C(C)C(=O)O",{"$nulls":4},146.0579088,"?"]
[2395,"O[CH]([CH](O)[CH](O)C(O)=O)[CH](O)C(O)=O","608-60-6","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",{"$nulls":4},210.03756728000002,"?"]
[2396,"OC[CH](O)[CH](O)[CH](O)[CH](O)CO","608-66-2","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",{"$nulls":4},182.079038168,"?"]
[2397,null,"608-73-1",{"$nulls":7},""]
[2398,"Clc1cc(Cl)c(Cl)c(Cl)c1Cl","608-93-5","Clc1cc(Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)Cl)Cl",{"$nulls":4},247.852088432,"?"]
[2399,"Oc1ccc(OCl)c(Cl)c1Cl","608-94-6","Oc1ccc(OCl)c(Cl)c1Cl","Oc1c(c(c(cc1)OCl)Cl)Cl",{"$nulls":4},211.919862376,"?"]
[2400,"CCOC(=O)C(=O)C(=O)OCC","609-09-6","CCOC(=O)C(=O)C(=O)OCC","CCOC(=O)C(=O)C(=O)OCC",{"$nulls":4},174.05282342,"?"]
[2401,"CCC(CO)[N+]([O-])=O","609-31-4","CCC(CO)[N+](=O)[O-]","CCC(CO)[N+](=O)[O-]",{"$nulls":4},119.058243148,"?"]
[2402,"Oc1c(Cl)cc(Cl)cc1[N+]([O-])=O","609-89-2","O=[N+]([O-])c1cc(Cl)cc(Cl)c1O","O=[N+]([O-])c1c(c(cc(c1)Cl)Cl)O",{"$nulls":4},206.948998316,"?"]
[2403,"Nc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O","609-97-2","Nc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]","Nc1c(cc(cc1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},227.01783488,"?"]
[2404,"OC(=O)c1cc(C(O)=O)c(O)c(c1)C(O)=O","609-98-3","O=C(O)c1cc(C(=O)O)c(O)c(C(=O)O)c1","O=C(O)c1cc(c(c(c1)C(=O)O)O)C(=O)O",{"$nulls":4},226.01135253200002,"?"]
[2405,"OC(=O)c1ccc(O)c(O)c1O","610-02-6","O=C(O)c1ccc(O)c(O)c1O","O=C(O)c1c(c(c(cc1)O)O)O",{"$nulls":4},170.021523292,"?"]
[2406,"OC(=O)c1cccc(C=O)c1O","610-04-8","O=Cc1cccc(C(=O)O)c1O","O=Cc1c(c(ccc1)C(=O)O)O",{"$nulls":4},166.026608672,"?"]
[2407,"OC(=O)C1=C(CC=CC1)C(O)=O","610-13-9","O=C(O)C1=C(C(=O)O)CC=CC1","O=C(O)C=1CC=CCC1C(=O)O",{"$nulls":4},168.042258736,"?"]
[2408,"OC(=O)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O","610-30-0","O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)c1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},212.006935848,"?"]
[2409,null,"610-39-9",{"$nulls":7},""]
[2410,"Cc1cccc2cc3ccccc3cc12","610-48-0","Cc1cccc2cc3ccccc3cc12","Cc1c2c(ccc1)cc3c(cccc3)c2",{"$nulls":4},192.093900384,"?"]
[2411,"[O-][N+](=O)c1ccc2COC(=O)c2c1","610-93-5","O=C1OCc2ccc([N+](=O)[O-])cc21","O=C1c2c(CO1)ccc([N+](=O)[O-])c2",{"$nulls":4},179.02185764,"?"]
[2412,"CCc1ccccc1C","611-14-3","CCc1ccccc1C","CCc1c(cccc1)C",{"$nulls":4},120.093900384,"?"]
[2413,"Oc1ccnc2ccccc12","611-36-9","Oc1ccnc2ccccc12","Oc1c2c(ncc1)cccc2",{"$nulls":4},145.052763844,"?"]
[2414,"CCOc1ccc(cc1)N2C(=O)CCC2=O","611-41-6","CCOc1ccc(N2C(=O)CCC2=O)cc1","CCOc1ccc(cc1)N2C(CCC2=O)=O",{"$nulls":4},219.089543276,"?"]
[2415,"O[CH](C(O)=O)c1ccccc1","611-71-2","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",{"$nulls":4},152.047344116,"?"]
[2416,"OC(C(O)=O)c1ccccc1","611-72-3","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",{"$nulls":4},152.047344116,"?"]
[2417,"OC(=O)C(=O)c1ccccc1","611-73-4","O=C(O)C(=O)c1ccccc1","O=C(O)C(=O)c1ccccc1",{"$nulls":4},150.03169405199998,"?"]
[2418,"OCc1ccccc1CO","612-14-6","OCc1ccccc1CO","OCc1c(cccc1)CO",{"$nulls":4},138.06807956,"?"]
[2419,"OCc1ccccc1C(O)=O","612-20-4","O=C(O)c1ccccc1CO","O=C(O)c1c(cccc1)CO",{"$nulls":4},152.047344116,"?"]
[2420,"CCc1ccccc1[N+]([O-])=O","612-22-6","CCc1ccccc1[N+](=O)[O-]","CCc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},151.063328528,"?"]
[2421,"OCc1ccccc1[N+]([O-])=O","612-25-9","O=[N+]([O-])c1ccccc1CO","O=[N+]([O-])c1c(cccc1)CO",{"$nulls":4},153.042593084,"?"]
[2422,"Cc1ccc2cc3ccccc3cc2c1","613-12-7","Cc1ccc2cc3ccccc3cc2c1","Cc1cc2c(cc1)cc3c(cccc3)c2",{"$nulls":4},192.093900384,"?"]
[2423,"Nc1ccc2cc3ccccc3cc2c1","613-13-8","Nc1ccc2cc3ccccc3cc2c1","Nc1cc2c(cc1)cc3c(cccc3)c2",{"$nulls":4},193.089149352,"?"]
[2424,null,"613-33-2",{"$nulls":7},""]
[2425,"CCOc1ccccc1C=O","613-69-4","CCOc1ccccc1C=O","CCOc1c(cccc1)C=O",{"$nulls":4},150.06807956,"?"]
[2426,"CCOC(=O)c1cccnc1","614-18-6",null,null,"CCOC(=O)c1cccnc1",{"$nulls":3},608.8482354360003,"?"]
[2427,"O=C(NC(=O)c1ccccc1)c2ccccc2","614-28-8","O=C(NC(=O)c1ccccc1)c1ccccc1","O=C(NC(=O)c1ccccc1)c2ccccc2",{"$nulls":4},225.078978592,"?"]
[2428,"ClOC(=O)COc1ccccc1","614-61-9","O=C(COc1ccccc1)OCl","O=C(COc1ccccc1)OCl",{"$nulls":4},186.008371764,"?"]
[2429,"Cc1ccccc1NC(N)=O","614-77-7","Cc1ccccc1NC(N)=O","Cc1c(cccc1)NC(N)=O",{"$nulls":4},150.07931294,"?"]
[2430,"CC(=O)Nc1ccccc1O","614-80-2","CC(=O)Nc1ccccc1O","CC(=O)Nc1c(cccc1)O",{"$nulls":4},151.063328528,"?"]
[2431,null,"615-15-6",{"$nulls":7},""]
[2432,"CSc1sc2ccccc2n1","615-22-5","CSc1nc2ccccc2s1","CSc1sc2c(n1)cccc2",{"$nulls":4},181.001991224,"?"]
[2433,"CNC(=O)C(=O)NC","615-35-0","CNC(=O)C(=O)NC","CNC(=O)C(=O)NC",{"$nulls":4},116.058577496,"?"]
[2434,"Clc1ccccc1I","615-41-8","Clc1ccccc1I","Clc1c(cccc1)I",{"$nulls":4},237.904625808,"?"]
[2435,"Ic1ccccc1I","615-42-9","Ic1ccccc1I","Ic1c(cccc1)I",{"$nulls":4},329.8402461280001,"?"]
[2436,"CCOC(=O)N(C)N=O","615-53-2","CCOC(=O)N(C)N=O","CCOC(=O)N(C)N=O",{"$nulls":4},132.053492116,"?"]
[2437,"Brc1ccc(Br)c(Br)c1","615-54-3","Brc1ccc(Br)c(Br)c1","Brc1cc(c(cc1)Br)Br",{"$nulls":4},311.77848639600006,"?"]
[2438,"Oc1ccc(Br)cc1Br","615-58-7","Oc1ccc(Br)cc1Br","Oc1c(cc(cc1)Br)Br",{"$nulls":4},249.862888948,"?"]
[2439,"Oc1ccc(O)c(Cl)c1","615-67-8","Oc1ccc(O)c(Cl)c1","Oc1cc(c(cc1)O)Cl",{"$nulls":4},143.99780708,"?"]
[2440,"CN1C=CC(=O)NC1=O","615-77-0","Cn1ccc(=O)[nH]c1=O","Cn1c([nH]c(cc1)=O)=O",{"$nulls":4},126.042927432,"?"]
[2441,"CCCCC(N)C(O)=O","616-06-8","CCCCC(N)C(=O)O","CCCCC(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[2442,"CCC(Cl)CC","616-20-6","CCC(Cl)CC","CCC(Cl)CC",{"$nulls":4},106.05492803199999,"?"]
[2443,"CCC(O)C=C","616-25-1","C=CC(O)CC","C=CC(O)CC",{"$nulls":4},86.07316494,"?"]
[2444,"CCN(C)CC","616-39-7","CCN(C)CC","CCN(C)CC",{"$nulls":4},87.10479941599999,"?"]
[2445,"Cc1cscc1","616-44-4","Cc1ccsc1","Cc1cscc1",{"$nulls":4},98.019021192,"?"]
[2446,"O=C1CCCN1","616-45-5","O=C1CCCN1","O=C1NCCC1",{"$nulls":4},85.052763844,"?"]
[2447,"Cn1ccnc1","616-47-7","Cn1ccnc1","Cn1cncc1",{"$nulls":4},82.053098192,"?"]
[2448,"CCCC(C(O)=O)C(O)=O","616-62-6","CCCC(C(=O)O)C(=O)O","CCCC(C(=O)O)C(=O)O",{"$nulls":4},146.0579088,"?"]
[2449,"Oc1cc(O)c(cc1[N+]([O-])=O)[N+]([O-])=O","616-74-0","O=[N+]([O-])c1cc([N+](=O)[O-])c(O)cc1O","O=[N+]([O-])c1c(cc(c(c1)[N+](=O)[O-])O)O",{"$nulls":4},200.006935848,"?"]
[2450,"OC(=O)c1cc(C=O)ccc1O","616-76-2","O=Cc1ccc(O)c(C(=O)O)c1","O=Cc1cc(c(cc1)O)C(=O)O",{"$nulls":4},166.026608672,"?"]
[2451,"Nc1ccc(cc1C(O)=O)[N+]([O-])=O","616-79-5","Nc1ccc([N+](=O)[O-])cc1C(=O)O","Nc1c(cc(cc1)[N+](=O)[O-])C(=O)O",{"$nulls":4},182.032756672,"?"]
[2452,"CCCCCC(C(O)=O)C(O)=O","616-88-6","CCCCCC(C(=O)O)C(=O)O","CCCCCC(C(=O)O)C(=O)O",{"$nulls":4},174.089208928,"?"]
[2453,"CCCC(O)C(C)C","617-29-8","CCCC(O)C(C)C","CCCC(O)C(C)C",{"$nulls":4},116.120115132,"?"]
[2454,"NC(CC(O)=O)C(O)=O","617-45-8","NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O",{"$nulls":4},133.037507704,"?"]
[2455,"OC(CC(O)=O)C(O)=O","617-48-1","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O",{"$nulls":4},134.021523292,"?"]
[2456,null,"617-53-8",{"$nulls":7},""]
[2457,null,"617-54-9",{"$nulls":7},""]
[2458,"NC(CCC(O)=O)C(O)=O","617-65-2","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",{"$nulls":4},147.053157768,"?"]
[2459,"CCN(CC)C=O","617-84-5","CCN(C=O)CC","CCN(C=O)CC",{"$nulls":4},101.084063972,"?"]
[2460,"NCc1occc1","617-89-0","NCc1ccco1","NCc1occc1",{"$nulls":4},97.052763844,"?"]
[2461,"Cc1ccc(cc1N)[S](O)(=O)=O","618-03-1","Cc1ccc(S(=O)(=O)O)cc1N","Cc1c(cc(cc1)S(=O)(=O)O)N",{"$nulls":4},187.030314148,"?"]
[2462,"CN(C)c1cccc(c1)[S](O)(=O)=O","618-09-7","CN(C)c1cccc(S(=O)(=O)O)c1","CN(C)c1cc(ccc1)S(=O)(=O)O",{"$nulls":4},201.045964212,"?"]
[2463,"OC(=O)c1oc(Cl)cc1","618-30-4","O=C(O)c1ccc(Cl)o1","O=C(O)c1oc(cc1)Cl",{"$nulls":4},145.97707163599998,"?"]
[2464,"OC(=O)c1cccc(I)c1","618-51-9","O=C(O)c1cccc(I)c1","O=C(O)c1cc(ccc1)I",{"$nulls":4},247.9334274,"?"]
[2465,"OC[CH]1O[CH](Oc2ccccc2C=O)[CH](O)[CH](O)[CH]1O","618-65-5","O=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O","O=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",{"$nulls":4},284.08960285200044,"?"]
[2466,"OC[CH]1O[CH](Oc2ccccc2C=CC(O)=O)[CH](O)[CH](O)[CH]1O","618-67-7","O=C(O)C=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O","O=C(O)C=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",{"$nulls":4},326.10016753600047,"?"]
[2467,"OC(=O)c1cc(O)cc(c1)C(O)=O","618-83-7","O=C(O)c1cc(O)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)O)C(=O)O",{"$nulls":4},182.021523292,"?"]
[2468,null,"619-02-3",{"$nulls":7},""]
[2469,"Cc1ccc(cc1C)C(O)=O","619-04-5","Cc1ccc(C(=O)O)cc1C","Cc1c(cc(cc1)C(=O)O)C",{"$nulls":4},150.06807956,"?"]
[2470,"OCc1cccc(c1)[N+]([O-])=O","619-25-0","O=[N+]([O-])c1cccc(CO)c1","O=[N+]([O-])c1cc(ccc1)CO",{"$nulls":4},153.042593084,"?"]
[2471,"COC(=O)c1ccc(N)cc1","619-45-4","COC(=O)c1ccc(N)cc1","COC(=O)c1ccc(cc1)N",{"$nulls":4},151.063328528,"?"]
[2472,"OC(=O)c1ccc(I)cc1","619-58-9","O=C(O)c1ccc(I)cc1","O=C(O)c1ccc(cc1)I",{"$nulls":4},247.9334274,"?"]
[2473,"OC(=O)c1ccc(cc1)C#N","619-65-8","N#Cc1ccc(C(=O)O)cc1","N#Cc1ccc(cc1)C(=O)O",{"$nulls":4},147.0320284,"?"]
[2474,"OCc1ccc(cc1)[N+]([O-])=O","619-73-8","O=[N+]([O-])c1ccc(CO)cc1","O=[N+]([O-])c1ccc(cc1)CO",{"$nulls":4},153.042593084,"?"]
[2475,"OC(=O)[CH]1CC[CH](CC1)C(O)=O","619-82-9","O=C(O)C1CCC(C(=O)O)CC1","O=C(O)C1CCC(CC1)C(=O)O",{"$nulls":4},172.073558864,"?"]
[2476,"CN(C)c1ccc(cc1)C(O)=O","619-84-1","CN(C)c1ccc(C(=O)O)cc1","CN(C)c1ccc(cc1)C(=O)O",{"$nulls":4},165.078978592,"?"]
[2477,"OCc1cccc(O)c1","620-24-6","OCc1cccc(O)c1","OCc1cc(ccc1)O",{"$nulls":4},124.052429496,"?"]
[2478,"O=C(CC#N)Nc1ccccc1","621-03-4","N#CCC(=O)Nc1ccccc1","N#CCC(=O)Nc1ccccc1",{"$nulls":4},160.063662876,"?"]
[2479,"OC(=O)Cc1cccc(O)c1","621-37-4","O=C(O)Cc1cccc(O)c1","O=C(O)Cc1cc(ccc1)O",{"$nulls":4},152.047344116,"?"]
[2480,"CCCN(CCC)N=O","621-64-7","CCCN(CCC)N=O","CCCN(CCC)N=O",{"$nulls":4},130.110613068,"?"]
[2481,"CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC","621-70-5","CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC","CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC",{"$nulls":4},386.266838936001,"?"]
[2482,"CCCCCN(CCCCC)CCCCC","621-77-2","CCCCCN(CCCCC)CCCCC","CCCCCN(CCCCC)CCCCC",{"$nulls":4},227.26130005599998,"?"]
[2483,"OC(=O)C=Cc1ccccc1","621-82-9","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1",{"$nulls":4},148.052429496,"?"]
[2484,"NC(=O)OCc1ccccc1","621-84-1","NC(=O)OCc1ccccc1","NC(=O)OCc1ccccc1",{"$nulls":4},151.063328528,"?"]
[2485,"OCCOCc1ccccc1","622-08-2","OCCOCc1ccccc1","OCCOCc1ccccc1",{"$nulls":4},152.083729624,"?"]
[2486,"Cc1ccc(cc1)N=C=S","622-59-3","Cc1ccc(N=C=S)cc1","Cc1ccc(cc1)N=C=S",{"$nulls":4},149.029920224,"?"]
[2487,"S=C=NCc1ccccc1","622-78-6","S=C=NCc1ccccc1","S=C=NCc1ccccc1",{"$nulls":4},149.029920224,"?"]
[2488,"CNc1ccc(O)cc1.CNc2ccc(O)cc2.Oc3ccc(O)cc3","622-91-3","CNc1ccc(O)cc1","CNc1ccc(cc1)O","CNc1ccc(O)cc1","Oc1ccc(O)cc1",null,null,356.173607248,"?"]
[2489,"CCc1ccc(C)cc1","622-96-8","CCc1ccc(C)cc1","CCc1ccc(cc1)C",{"$nulls":4},120.093900384,"?"]
[2490,"Cc1ccc(C=C)cc1","622-97-9","C=Cc1ccc(C)cc1","C=Cc1ccc(cc1)C",{"$nulls":4},118.07825032,"?"]
[2491,"OCc1ccc(O)cc1","623-05-2","OCc1ccc(O)cc1","OCc1ccc(cc1)O",{"$nulls":4},124.052429496,"?"]
[2492,"Cc1ccc(NO)cc1","623-10-9","Cc1ccc(NO)cc1","Cc1ccc(cc1)NO",{"$nulls":4},123.068413908,"?"]
[2493,"COc1ccc(Cl)cc1","623-12-1","COc1ccc(Cl)cc1","COc1ccc(cc1)Cl",{"$nulls":4},142.018542524,"?"]
[2494,"O=Cc1ccc(C=O)cc1","623-27-8","O=Cc1ccc(C=O)cc1","O=Cc1ccc(cc1)C=O",{"$nulls":4},134.036779432,"?"]
[2495,"CCCC(O)CC","623-37-0","CCCC(O)CC","CCCC(O)CC",{"$nulls":4},102.104465068,"?"]
[2496,"CCCC(=O)OC","623-42-7","CCCC(=O)OC","CCCC(=O)OC",{"$nulls":4},102.06807956,"?"]
[2497,"CCNC(=O)OCC","623-78-9","CCNC(=O)OCC","CCNC(=O)OCC",{"$nulls":4},117.078978592,"?"]
[2498,"CC(O)CO.CC(O)=O.CC(O)=O","623-84-7","CC(O)CO","CC(O)CO","CC(O)=O","CC(O)=O",null,null,196.094688232,"?"]
[2499,"OC(CO[N+]([O-])=O)CO[N+]([O-])=O","623-87-0","O=[N+]([O-])OCC(O)CO[N+](=O)[O-]","O=[N+]([O-])OCC(O)CO[N+](=O)[O-]",{"$nulls":4},182.017500532,"?"]
[2500,"CCCCC(O)CCCC","623-93-8","CCCCC(O)CCCC","CCCCC(O)CCCC",{"$nulls":4},144.15141526,"?"]
[2501,"CCOCCOC(=O)CCCCCCCCC(=O)OCCOCC","624-10-2","CCOCCOC(=O)CCCCCCCCC(=O)OCCOCC","CCOCCOC(=O)CCCCCCCCC(=O)OCCOCC",{"$nulls":4},346.23553880800097,"?"]
[2502,"CCOC(=O)CCCCCCCC(=O)OCC","624-17-9","CCOC(=O)CCCCCCCC(=O)OCC","CCOC(=O)CCCCCCCC(=O)OCC",{"$nulls":4},244.167459248,"?"]
[2503,"CCCCC(=O)OC","624-24-8","CCCCC(=O)OC","CCCCC(=O)OC",{"$nulls":4},116.083729624,"?"]
[2504,"Ic1ccc(I)cc1","624-38-4","Ic1ccc(I)cc1","Ic1ccc(cc1)I",{"$nulls":4},329.8402461280001,"?"]
[2505,"COC(=O)C=CC([O-])=O","624-48-6","COC(=O)C=CC(=O)[O-]","COC(=O)C=CC(=O)O",{"$nulls":4},129.01878364,"Structure has been neutralized"]
[2506,"CCCCCCC(O)CC","624-51-1","CCCCCCC(O)CC","CCCCCCC(O)CC",{"$nulls":4},144.15141526,"?"]
[2507,"CCCCCOC(=O)CC","624-54-4","CCCCCOC(=O)CC","CCCCCOC(=O)CC",{"$nulls":4},144.115029752,"?"]
[2508,"CC=CC","624-64-6","CC=CC","CC=CC",{"$nulls":4},56.062600255999996,"?"]
[2509,"ICCI","624-73-7","ICCI","ICCI",{"$nulls":4},281.8402461280001,"?"]
[2510,"CSSC","624-92-0","CSSC","CSSC",{"$nulls":4},93.991092192,"?"]
[2511,"CC(C)(C)CCO","624-95-3","CC(C)(C)CCO","CC(C)(C)CCO",{"$nulls":4},102.104465068,"?"]
[2512,"CC(C)CC(C)(C)O","625-06-9","CC(C)CC(C)(C)O","CC(C)CC(C)(C)O",{"$nulls":4},116.120115132,"?"]
[2513,"CCC(C)(C)NC(N)=O","625-15-0","CCC(C)(C)NC(N)=O","CCC(C)(C)NC(N)=O",{"$nulls":4},130.110613068,"?"]
[2514,"CCCCC(C)(C)O","625-23-0","CCCCC(C)(C)O","CCCCC(C)(C)O",{"$nulls":4},116.120115132,"?"]
[2515,"CCCCCC(C)(C)O","625-25-2","CCCCCC(C)(C)O","CCCCCC(C)(C)O",{"$nulls":4},130.135765196,"?"]
[2516,"CCCC(C)Cl","625-29-6","CCCC(C)Cl","CCCC(C)Cl",{"$nulls":4},106.05492803199999,"?"]
[2517,"COCC(C)C","625-44-5","COCC(C)C","COCC(C)C",{"$nulls":4},88.088815004,"?"]
[2518,"COCC(O)=O","625-45-6","COCC(=O)O","COCC(=O)O",{"$nulls":4},90.031694052,"?"]
[2519,"OCC[N+]([O-])=O","625-48-9","O=[N+]([O-])CCO","O=[N+]([O-])CCO",{"$nulls":4},91.02694302,"?"]
[2520,"CCOC(C)C","625-54-7","CCOC(C)C","CCOC(C)C",{"$nulls":4},88.088815004,"?"]
[2521,"CC(C)OC=O","625-55-8","CC(C)OC=O","CC(C)OC=O",{"$nulls":4},88.052429496,"?"]
[2522,"Fc1cccc(Cl)c1","625-98-9","Fc1cccc(Cl)c1","Fc1cc(ccc1)Cl",{"$nulls":4},129.998556028,"?"]
[2523,"Clc1cccc(I)c1","625-99-0","Clc1cccc(I)c1","Clc1cc(ccc1)I",{"$nulls":4},237.904625808,"?"]
[2524,"Ic1cccc(I)c1","626-00-6","Ic1cccc(I)c1","Ic1cc(ccc1)I",{"$nulls":4},329.8402461280001,"?"]
[2525,"Oc1ccnc(O)c1","626-03-9","Oc1ccnc(O)c1","Oc1cc(ncc1)O",{"$nulls":4},111.0320284,"?"]
[2526,"OCc1cccc(CO)c1","626-18-6","OCc1cccc(CO)c1","OCc1cc(ccc1)CO",{"$nulls":4},138.06807956,"?"]
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[2529,null,"626-48-2",{"$nulls":7},""]
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[2535,"CCCCC(C)O","626-93-7","CCCCC(C)O","CCCCC(C)O",{"$nulls":4},102.104465068,"?"]
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[2538,"CCCOC(C)C","627-08-7","CCCOC(C)C","CCCOC(C)C",{"$nulls":4},102.104465068,"?"]
[2539,null,"627-12-3",{"$nulls":7},""]
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[2543,"CCC=CC","627-20-3","CC=CCC","CC=CCC",{"$nulls":4},70.07825032,"?"]
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[2545,"COCCCl","627-42-9","COCCCl","COCCCl",{"$nulls":4},94.018542524,"?"]
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[2547,null,"627-61-2",{"$nulls":7},""]
[2548,null,"627-72-5",{"$nulls":7},""]
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[2553,"CCCOCC","628-32-0","CCCOCC","CCCOCC",{"$nulls":4},88.088815004,"?"]
[2554,"C1C=CCC=C1","628-41-1","C1=CCC=CC1","C=1CC=CCC1",{"$nulls":4},80.062600256,"?"]
[2555,"CCCCCOC(C)=O","628-63-7","CCCCCOC(C)=O","CCCCCOC(C)=O",{"$nulls":4},130.099379688,"?"]
[2556,"CC(O)=O.CC(O)=O.OCCCO","628-66-0","OCCCO","OCCCO","CC(O)=O","CC(O)=O",null,null,196.094688232,"?"]
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[2558,"C1CCC=CCC1","628-92-2","C1=CCCCCC1","C=1CCCCCC1",{"$nulls":4},96.093900384,"?"]
[2559,"NC(=O)CCCCC(N)=O","628-94-4","NC(=O)CCCCC(N)=O","NC(=O)CCCCC(N)=O",{"$nulls":4},144.089877624,"?"]
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[2561,"CCCCCCCC(C)O","628-99-9","CCCCCCCC(C)O","CCCCCCCC(C)O",{"$nulls":4},144.15141526,"?"]
[2562,"CCCCCCCBr","629-04-9","CCCCCCCBr","CCCCCCCBr",{"$nulls":4},178.03571258,"?"]
[2563,"CCCCCCC#C","629-05-0","C#CCCCCCC","C#CCCCCCC",{"$nulls":4},110.109550448,"?"]
[2564,"CCCCCCCCl","629-06-1","CCCCCCCCl","CCCCCCCCl",{"$nulls":4},134.08622816,"?"]
[2565,"CCOCCOCC","629-14-1","CCOCCOCC","CCOCCOCC",{"$nulls":4},118.099379688,"?"]
[2566,"CCCCCCCCCCCCC","629-50-5","CCCCCCCCCCCCC","CCCCCCCCCCCCC",{"$nulls":4},184.219100896,"?"]
[2567,"CCCCCCCCCCCCCC","629-59-4","CCCCCCCCCCCCCC","CCCCCCCCCCCCCC",{"$nulls":4},198.23475095999999,"?"]
[2568,"CCCCCCCCCCCCCCC","629-62-9","CCCCCCCCCCCCCCC","CCCCCCCCCCCCCCC",{"$nulls":4},212.25040102399998,"?"]
[2569,"CCCCCCCCCCCCCCCO","629-76-5","CCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCO",{"$nulls":4},228.245315644,"?"]
[2570,"CCCCCCCCCCCCCCCCCCCCCCCCCC","630-01-3","CCCCCCCCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCCCCCCCC",{"$nulls":4},366.4225517280015,"?"]
[2571,"CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC","630-06-8","CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC",{"$nulls":4},506.57905236800207,"?"]
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[2576,"CC[Si](CC)(CC)CC","631-36-7","CC[Si](CC)(CC)CC","CC[Si](CC)(CC)CC",{"$nulls":4},144.13342717,"?"]
[2577,"OC(=O)C(Br)Br","631-64-1","O=C(O)C(Br)Br","O=C(O)C(Br)Br",{"$nulls":4},215.842153504,"?"]
[2578,"Cc1cc(N[S](=O)(=O)c2ccc(N)cc2)sn1","632-00-8","Cc1cc(NS(=O)(=O)c2ccc(N)cc2)sn1","Cc1nsc(c1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},269.02926859200034,"?"]
[2579,"NCC(O)C(O)=O","632-12-2","NCC(O)C(=O)O","NCC(O)C(=O)O",{"$nulls":4},105.042593084,"?"]
[2580,"CN(C)C(=O)N(C)C","632-22-4","CN(C)C(=O)N(C)C","CN(C)C(=O)N(C)C",{"$nulls":4},116.094963004,"?"]
[2581,"OC(=O)c1ccccc1[S](O)(=O)=O","632-25-7","O=C(O)c1ccccc1S(=O)(=O)O","O=C(O)c1c(cccc1)S(=O)(=O)O",{"$nulls":4},201.993594292,"?"]
[2582,"OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(O)=O","632-58-6","O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)O",{"$nulls":4},301.870719264,"?"]
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[2584,"OC(=O)c1c(Br)cc(Br)cc1Br","633-12-5","O=C(O)c1c(Br)cc(Br)cc1Br","O=C(O)c1c(cc(cc1Br)Br)Br",{"$nulls":4},355.7683156360001,"?"]
[2585,"NC(=O)C(O)C(O)C(O)=O","634-64-0","NC(=O)C(O)C(O)C(=O)O","NC(=O)C(O)C(O)C(=O)O",{"$nulls":4},149.032422324,"?"]
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[2587,"Clc1cc(Cl)c(Cl)c(Cl)c1","634-90-2","Clc1cc(Cl)c(Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)Cl)Cl",{"$nulls":4},213.891060784,"?"]
[2588,"Nc1c(Cl)cc(Cl)cc1Cl","634-93-5","Nc1c(Cl)cc(Cl)cc1Cl","Nc1c(cc(cc1Cl)Cl)Cl",{"$nulls":4},194.940932168,"?"]
[2589,"CC1=C(C=C)C(NC1=O)=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C","635-65-4","C=CC1=C(C)C(=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O","C=CC=1C(NC(C1C)=Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)C=C4C(=C(C(N4)=O)C)C=C)C)CCC(=O)O)CCC(=O)O)C)=O",{"$nulls":4},584.263484872001,"?"]
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[2591,null,"636-26-0",{"$nulls":7},""]
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[2593,"OC(=O)c1ccc(O)c(c1)C(O)=O","636-46-4","O=C(O)c1ccc(O)c(C(=O)O)c1","O=C(O)c1cc(c(cc1)O)C(=O)O",{"$nulls":4},182.021523292,"?"]
[2594,null,"636-60-2",{"$nulls":7},""]
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[2596,"OC(=O)C1=CCCCC1","636-82-8","O=C(O)C1=CCCCC1","O=C(O)C=1CCCCC1",{"$nulls":4},126.06807956,"?"]
[2597,null,"637-62-7",{"$nulls":7},""]
[2598,"CCC(=O)OC(C)C","637-78-5","CCC(=O)OC(C)C","CCC(=O)OC(C)C",{"$nulls":4},116.083729624,"?"]
[2599,"Clc1ccc(I)cc1","637-87-6","Clc1ccc(I)cc1","Clc1ccc(cc1)I",{"$nulls":4},237.904625808,"?"]
[2600,"CCOC(C)(C)C","637-92-3","CCOC(C)(C)C","CCOC(C)(C)C",{"$nulls":4},102.104465068,"?"]
[2601,null,"638-17-5",{"$nulls":7},""]
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[2605,"CCSCCS[P](=S)(OC)OC","640-15-3","CCSCCSP(=S)(OC)OC","CCSCCSP(=S)(OC)OC",{"$nulls":4},245.99717935,"?"]
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[2611,null,"645-05-6",{"$nulls":7},""]
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[2626,"CCS[S](=O)(=O)CC","682-91-7","CCSS(=O)(=O)CC","CCSS(=O)(=O)CC",{"$nulls":4},154.01222156,"?"]
[2627,"CCCC[Sn](Cl)(Cl)CCCC","683-18-1","CCCC[Sn](Cl)(Cl)CCCC","CCCC[Sn](Cl)(Cl)CCCC",{"$nulls":4},303.9807506360005,"?"]
[2628,"NC(=O)CBr","683-57-8","NC(=O)CBr","NC(=O)CBr",{"$nulls":4},136.947625848,"?"]
[2629,"ClC(Br)C(Cl)Br","683-68-1","ClC(Br)C(Cl)Br","ClC(Br)C(Cl)Br",{"$nulls":4},253.790029624,"?"]
[2630,"NC(=O)C(Cl)Cl","683-72-7","NC(=O)C(Cl)Cl","NC(=O)C(Cl)Cl",{"$nulls":4},126.959169076,"?"]
[2631,"CN(N=O)C(N)=O","684-93-5","CN(N=O)C(N)=O","CN(N=O)C(N)=O",{"$nulls":4},103.0381764,"?"]
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[2633,"C=CC#C","689-97-4","C#CC=C","C#CC=C",{"$nulls":4},52.031300128,"?"]
[2634,"CC(C)CC=C","691-37-2","C=CCC(C)C","C=CCC(C)C",{"$nulls":4},84.093900384,"?"]
[2635,"CCCCC#C","693-02-7","C#CCCCC","C#CCCCC",{"$nulls":4},82.07825032,"?"]
[2636,null,"693-21-0",{"$nulls":7},""]
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[2638,"CCCCCCCCC(C)=O","693-54-9","CCCCCCCCC(C)=O","CCCCCCCCC(C)=O",{"$nulls":4},156.15141526,"?"]
[2639,"[O-][n+]1ccccc1","694-59-7","[O-][n+]1ccccc1","[O-][n+]1ccccc1",{"$nulls":4},95.03711378,"?"]
[2640,"Clc1ccccc1Br","694-80-4","Clc1ccccc1Br","Clc1c(cccc1)Br",{"$nulls":4},189.918489908,"?"]
[2641,"CN1C=CC=CC1=O","694-85-9","Cn1ccccc1=O","Cn1c(cccc1)=O",{"$nulls":4},109.052763844,"?"]
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[2643,"CNc1cccc(C)c1","696-44-6","CNc1cccc(C)c1","CNc1cc(ccc1)C",{"$nulls":4},121.08914935199999,"?"]
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[2645,"CCc1cc(C)cc(O)c1","698-71-5","CCc1cc(C)cc(O)c1","CCc1cc(cc(c1)C)O",{"$nulls":4},136.088815004,"?"]
[2646,"Cc1cc(C)c(C)c(C)c1C","700-12-9","Cc1cc(C)c(C)c(C)c1C","Cc1c(c(c(c(c1)C)C)C)C",{"$nulls":4},148.125200512,"?"]
[2647,"Cc1ccc(c(O)c1)[N+]([O-])=O","700-38-9","Cc1ccc([N+](=O)[O-])c(O)c1","Cc1cc(c(cc1)[N+](=O)[O-])O",{"$nulls":4},153.042593084,"?"]
[2648,"Oc1ncnc2nccnc12","700-47-0","Oc1ncnc2nccnc12","Oc1c2c(ncn1)nccn2",{"$nulls":4},148.038510748,"?"]
[2649,"Nc1ncc2nccnc2n1","700-81-2","Nc1ncc2nccnc2n1","Nc1nc2c(cn1)nccn2",{"$nulls":4},147.05449516,"?"]
[2650,"ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl","706-78-5","ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl","ClC=1C(C(C(C1Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl",{"$nulls":4},339.75082144,"?"]
[2651,"CN1C(=O)NC2=C(NC(=O)N2)C1=O","708-79-2","Cn1c(=O)[nH]c2[nH]c(=O)[nH]c2c1=O","Cn1c(c2c([nH]c1=O)[nH]c(=O)[nH]2)=O",{"$nulls":4},182.043990052,"?"]
[2652,"N[CH](Cc1ccccc1O)C(O)=O","709-16-0","NC(Cc1ccccc1O)C(=O)O","NC(Cc1c(cccc1)O)C(=O)O",{"$nulls":4},181.073893212,"?"]
[2653,"NC(=S)Nc1ccccc1[N+]([O-])=O","709-72-8","NC(=S)Nc1ccccc1[N+](=O)[O-]","NC(=S)Nc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},197.025897464,"?"]
[2654,"CCC(=O)Nc1ccc(Cl)c(Cl)c1","709-98-8","CCC(=O)Nc1ccc(Cl)c(Cl)c1","CCC(=O)Nc1cc(c(cc1)Cl)Cl",{"$nulls":4},217.006119268,"?"]
[2655,null,"715-99-1",{"$nulls":7},""]
[2656,null,"721-71-1",{"$nulls":7},""]
[2657,"Cc1onc(N[S](=O)(=O)c2ccc(N)cc2)c1","723-46-6","Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1","Cc1onc(c1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},253.052112212,"?"]
[2658,null,"723-47-7",{"$nulls":7},""]
[2659,"OC(=O)c1c2ccccc2cc3ccccc13","723-62-6","O=C(O)c1c2ccccc2cc2ccccc12","O=C(O)c1c2c(cc3c1cccc3)cccc2",{"$nulls":4},222.06807956,"?"]
[2660,"Cc1oc(N[S](=O)(=O)c2ccc(N)cc2)nc1C","729-99-7","Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C","Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C",{"$nulls":4},267.0677622760003,"?"]
[2661,"CN(C)[S](=O)(=O)N(SC(F)(Cl)Cl)c1ccc(C)cc1","731-27-1","Cc1ccc(N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C)cc1","Cc1ccc(cc1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C",{"$nulls":4},345.97795323600036,"?"]
[2662,"CO[P](=S)(OC)SCN1C(=O)c2ccccc2C1=O","732-11-6","COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O","COP(=S)(OC)SCN1C(c2c(C1=O)cccc2)=O",{"$nulls":4},316.99453649400033,"?"]
[2663,"CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C","732-26-3","CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1","CC(C)(C)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C",{"$nulls":4},262.2296655800002,"?"]
[2664,"COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC","738-70-5","COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC","COc1c(c(cc(c1)Cc2c(nc(nc2)N)N)OC)OC",{"$nulls":4},290.1378904360005,"?"]
[2665,"CC(C)O[P](=S)(OC(C)C)SCCN[S](=O)(=O)c1ccccc1","741-58-2","CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1","CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1",{"$nulls":4},397.06050787800064,"?"]
[2666,"CN(C)[CH]1[CH]2C[CH]3C(=C(O)c4c(O)cccc4[C]3(C)O)C(=O)[C]2(O)C(=O)C(=C(O)NCN5CCCC5)C1=O","751-97-3","CN(C)C1C(=O)C(=C(O)NCN2CCCC2)C(=O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3CC12","CN(C)C1C2C(C(C(C1=O)=C(O)NCN3CCCC3)=O)(O)C(=O)C=4C(C(c5c(C4O)c(O)ccc5)(C)O)C2",{"$nulls":4},527.2267650160009,"?"]
[2667,"C[Sn](C)(Cl)Cl","753-73-1","C[Sn](C)(Cl)Cl","C[Sn](C)(Cl)Cl",{"$nulls":4},219.886850252,"?"]
[2668,"CO[P](C)(=O)OC","756-79-6","COP(C)(=O)OC","COP(C)(=O)OC",{"$nulls":4},124.028930778,"?"]
[2669,"CCO[P](=O)(OCC)O[P](=O)(OCC)O[P](=O)(OCC)O[P](=O)(OCC)OCC","757-58-4","CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC","CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC",{"$nulls":4},506.06368754000067,"?"]
[2670,"CCN(N=O)C(N)=O","759-73-9","CCN(N=O)C(N)=O","CCN(N=O)C(N)=O",{"$nulls":4},117.053826464,"?"]
[2671,null,"759-94-4",{"$nulls":7},""]
[2672,"ClCC(Cl)C=C","760-23-6","C=CC(Cl)CCl","C=CC(Cl)CCl",{"$nulls":4},123.98465555199999,"?"]
[2673,"CCCCCCCC(C(O)=O)C(O)=O","760-54-3","CCCCCCCC(C(=O)O)C(=O)O","CCCCCCCC(C(=O)O)C(=O)O",{"$nulls":4},202.120509056,"?"]
[2674,"CCCCCCCCC(C(O)=O)C(O)=O","760-55-4","CCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCC(C(=O)O)C(=O)O",{"$nulls":4},216.13615912,"?"]
[2675,"CCCC(N)C(O)=O","760-78-1","CCCC(N)C(=O)O","CCCC(N)C(=O)O",{"$nulls":4},117.078978592,"?"]
[2676,"FCCCl","762-50-5","FCCCl","FCCCl",{"$nulls":4},81.998556028,"?"]
[2677,"CCCC(C)=C","763-29-1","C=C(C)CCC","C=C(C)CCC",{"$nulls":4},84.093900384,"?"]
[2678,"CCOCCC(=O)OCC","763-69-9","CCOCCC(=O)OCC","CCOCCC(=O)OCC",{"$nulls":4},146.094294308,"?"]
[2679,"CC(C)=CC=C(C)C","764-13-6","CC(C)=CC=C(C)C","CC(C)=CC=C(C)C",{"$nulls":4},110.109550448,"?"]
[2680,"ClCC=CCCl","764-41-0","ClCC=CCCl","ClCC=CCCl",{"$nulls":4},123.98465555199999,"?"]
[2681,"O=CC1CO1","765-34-4","O=CC1CO1","O=CC1OC1",{"$nulls":4},72.021129368,"?"]
[2682,"COc1ccccc1Cl","766-51-8","COc1ccccc1Cl","COc1c(cccc1)Cl",{"$nulls":4},142.018542524,"?"]
[2683,"Cc1cc(C)nc(N)n1","767-15-7","Cc1cc(C)nc(N)n1","Cc1nc(nc(c1)C)N",{"$nulls":4},123.07964728799999,"?"]
[2684,"C1CCC2NCCCC2C1","767-92-0","C1CCC2NCCCC2C1","C1CC2C(CC1)NCCC2",{"$nulls":4},139.136099544,"?"]
[2685,"CC(O)COc1ccccc1","770-35-4","CC(O)COc1ccccc1","CC(O)COc1ccccc1",{"$nulls":4},152.083729624,"?"]
[2686,"C1Cc2ccccc2c3ccccc13","776-35-2","c1ccc2c(c1)CCc1ccccc1-2","c1cc2c(cc1)-c3c(CC2)cccc3",{"$nulls":4},180.093900384,"?"]
[2687,"Cc1c2ccccc2cc3ccccc13","779-02-2","Cc1c2ccccc2cc2ccccc12","Cc1c2c(cc3c1cccc3)cccc2",{"$nulls":4},192.093900384,"?"]
[2688,"Cc1c2ccccc2c(C)c3ccccc13","781-43-1","Cc1c2ccccc2c(C)c2ccccc12","Cc1c2c(c(c3c1cccc3)C)cccc2",{"$nulls":4},206.109550448,"?"]
[2689,null,"786-19-6",{"$nulls":7},""]
[2690,"O=C(NNC(=O)c1ccccc1)c2ccccc2","787-84-8","O=C(NNC(=O)c1ccccc1)c1ccccc1","O=C(NNC(=O)c1ccccc1)c2ccccc2",{"$nulls":4},240.089877624,"?"]
[2691,"Clc1ccc(cc1)C(c2ccccc2Cl)C(Cl)(Cl)Cl","789-02-6","Clc1ccc(C(c2ccccc2Cl)C(Cl)(Cl)Cl)cc1","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)(Cl)Cl",{"$nulls":4},351.91468868800024,"?"]
[2692,null,"803-45-2",{"$nulls":7},""]
[2693,"CCCO[P](=O)(OCC)OCC","814-22-2","CCCOP(=O)(OCC)OCC","CCCOP(=O)(OCC)OCC",{"$nulls":4},196.086445654,"?"]
[2694,"CCCC[P](=O)(CCCC)CCCC","814-29-9","CCCCP(=O)(CCCC)CCCC","CCCCP(=O)(CCCC)CCCC",{"$nulls":4},218.17995211399997,"?"]
[2695,"CCOC(=O)CCCC(=O)OCC","818-38-2","CCOC(=O)CCCC(=O)OCC","CCOC(=O)CCCC(=O)OCC",{"$nulls":4},188.104858992,"?"]
[2696,"OCCOC(=O)C=C","818-61-1","C=CC(=O)OCCO","C=CC(=O)OCCO",{"$nulls":4},116.047344116,"?"]
[2697,"[Ca++].[O-][S](=O)(=O)C[S]([O-])(=O)=O","819-17-0","O=S(=O)([O-])CS(=O)(=O)[O-]","O=S(=O)(O)CS(=O)(=O)O","[Ca+2]",{"$nulls":3},213.89187076400003,"Structure has been neutralized"]
[2698,"OCCCC=C","821-09-0","C=CCCCO","C=CCCCO",{"$nulls":4},86.07316494,"?"]
[2699,"CC(O)CCOCCC(C)O","821-33-0","CC(O)CCOCCC(C)O","CC(O)CCOCCC(C)O",{"$nulls":4},162.125594436,"?"]
[2700,"OC(=O)CCCCCCCCCCCCC(O)=O","821-38-5","O=C(O)CCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCC(=O)O",{"$nulls":4},258.18310931200006,"?"]
[2701,"CCCCCCCC(C)=O","821-55-6","CCCCCCCC(C)=O","CCCCCCCC(C)=O",{"$nulls":4},142.135765196,"?"]
[2702,"CC(C)C1OCCO1","822-83-3","CC(C)C1OCCO1","CC(C)C1OCCO1",{"$nulls":4},116.083729624,"?"]
[2703,"CSc1ncccn1","823-09-6","CSc1ncccn1","CSc1ncccn1",{"$nulls":4},126.02516919199999,"?"]
[2704,null,"826-91-5",{"$nulls":7},""]
[2705,"CC1CC(O)OC(C)O1.CC(O)=O","828-00-2","CC1CC(O)OC(C)O1","CC1OC(OC(C1)O)C","CC(O)=O",{"$nulls":3},192.099773612,"?"]
[2706,"Cc1ccc2cc(C)c(C)cc2c1","829-26-5","Cc1ccc2cc(C)c(C)cc2c1","Cc1cc2c(cc1)cc(C)c(C)c2",{"$nulls":4},170.109550448,"?"]
[2707,"COc1ccc(C=CC(O)=O)cc1","830-09-1","COc1ccc(C=CC(=O)O)cc1","COc1ccc(cc1)C=CC(=O)O",{"$nulls":4},178.06299418,"?"]
[2708,null,"830-65-9",{"$nulls":7},""]
[2709,null,"832-66-6",{"$nulls":7},""]
[2710,"Cc1cccc2c1ccc3ccccc23","832-69-9","Cc1cccc2c1ccc1ccccc12","Cc1c2c(ccc1)c3c(cc2)cccc3",{"$nulls":4},192.093900384,"?"]
[2711,"CCNc1nc(NC(C)C)nc(SC)n1","834-12-8","CCNc1nc(NC(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)C)SC",{"$nulls":4},227.12046654399998,"?"]
[2712,"CCOC(=O)[CH](Cc1ccc(O)cc1)NC(C)=O","840-97-1","CCOC(=O)C(Cc1ccc(O)cc1)NC(C)=O","CCOC(=O)C(Cc1ccc(cc1)O)NC(C)=O",{"$nulls":4},251.115758024,"?"]
[2713,"COCCCNc1nc(NC(C)C)nc(SC)n1","841-06-5","COCCCNc1nc(NC(C)C)nc(SC)n1","COCCCNc1nc(nc(n1)NC(C)C)SC",{"$nulls":4},271.14668129200044,"?"]
[2714,null,"845-52-3",{"$nulls":7},""]
[2715,"OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O","846-49-1","O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O","O=C1C(N=C(c2c(N1)ccc(Cl)c2)c3c(cccc3)Cl)O",{"$nulls":4},320.0119329200003,"?"]
[2716,null,"853-23-6",{"$nulls":7},""]
[2717,"CC(=O)CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3","853-34-9","CC(=O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O","CC(=O)CCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O",{"$nulls":4},322.13174243600054,"?"]
[2718,null,"866-23-9",{"$nulls":7},""]
[2719,"[K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O","866-84-2","O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-]","O=C(O)CC(O)(CC(=O)O)C(=O)O","[K+]","[K+]","[K+]",null,305.89464754000005,"Structure has been neutralized"]
[2720,"CC(=C)C(=O)OCCO","868-77-9","C=C(C)C(=O)OCCO","C=C(C)C(=O)OCCO",{"$nulls":4},130.06299418,"?"]
[2721,"[O-]C(=O)CC(CC([O-])=O)C=C","869-29-4","C=CC(CC(=O)[O-])CC(=O)[O-]","C=CC(CC(=O)O)CC(=O)O",{"$nulls":4},156.042258736,"Structure has been neutralized"]
[2722,"CC(=O)NCCNC(C)=O","871-78-3","CC(=O)NCCNC(C)=O","CC(=O)NCCNC(C)=O",{"$nulls":4},144.089877624,"?"]
[2723,"CCCCCCCCC=C","872-05-9","C=CCCCCCCCC","C=CCCCCCCCC",{"$nulls":4},140.15650064,"?"]
[2724,"CN1CCCC1=O","872-50-4","CN1CCCC1=O","CN1C(CCC1)=O",{"$nulls":4},99.068413908,"?"]
[2725,"CCc1sccc1","872-55-9","CCc1cccs1","CCc1sccc1",{"$nulls":4},112.034671256,"?"]
[2726,"OCc1ccc(Br)cc1","873-75-6","OCc1ccc(Br)cc1","OCc1ccc(cc1)Br",{"$nulls":4},185.968026944,"?"]
[2727,"OCc1ccc(Cl)cc1","873-76-7","OCc1ccc(Cl)cc1","OCc1ccc(cc1)Cl",{"$nulls":4},142.018542524,"?"]
[2728,"[K+].OC(=O)c1ccccc1C([O-])=O","877-24-7","O=C([O-])c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(=O)O","[K+]",{"$nulls":3},203.98249032,"Structure has been neutralized"]
[2729,"[O-][N+](=O)c1cc(Cl)c(Cl)c(Cl)c1Cl","879-39-0","O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(c(c1)Cl)Cl)Cl)Cl",{"$nulls":4},258.87613899200005,"?"]
[2730,"CCOc1nc(OCC)nc(OCC)n1","884-43-5","CCOc1nc(OCC)nc(OCC)n1","CCOc1nc(nc(n1)OCC)OCC",{"$nulls":4},213.11134134,"?"]
[2731,"Oc1ccc(cc1[N+]([O-])=O)c2ccccc2","885-82-5","O=[N+]([O-])c1cc(-c2ccccc2)ccc1O","O=[N+]([O-])c1c(ccc(c1)-c2ccccc2)O",{"$nulls":4},215.058243148,"?"]
[2732,"CCNc1nc(NC(C)(C)C)nc(SC)n1","886-50-0","CCNc1nc(NC(C)(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)(C)C)SC",{"$nulls":4},241.13611660799998,"?"]
[2733,"CCOC(=O)c1cccc(N)c1.C[S](O)(=O)=O","886-86-2","CCOC(=O)c1cccc(N)c1","CCOC(=O)c1cc(ccc1)N","CS(O)(=O)=O",{"$nulls":3},261.06709358,"?"]
[2734,"[O-][N+](=O)c1ccc2c3ccccc3c4cccc1c24","892-21-7","O=[N+]([O-])c1ccc2c3c(cccc13)-c1ccccc1-2","O=[N+]([O-])c1c2c3c(cc1)-c4c(-c3ccc2)cccc4",{"$nulls":4},247.063328528,"?"]
[2735,"CC([O]|[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)=O","900-95-8",{"$nulls":7},""]
[2736,"CC(=O)NCC(O)=O.NC(=N)c1ccc(NN=Nc2ccc(cc2)C(N)=N)cc1","908-54-3","N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1","N=C(N)c1ccc(cc1)N=NNc2ccc(cc2)C(=N)N","CC(=O)NCC(O)=O",{"$nulls":3},398.18148656400047,"?"]
[2737,"CN(C)[CH]1[CH]2[CH](O)[CH]3C(=C)c4cccc(O)c4C(=C3C(=O)[C]2(O)C(=O)C(=C(N)O)C1=O)O","914-00-1","C=C1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(=O)C(=C(N)O)C(=O)C(N(C)C)C3C(O)C12","C=C1C2C(=C(c3c1cccc3O)O)C(=O)C4(C(C(C(C(C4=O)=C(N)O)=O)N(C)C)C2O)O",{"$nulls":4},442.1376156640005,"?"]
[2738,"COCCNC(=O)CS[P](=S)(OC)OC","919-76-6","COCCNC(=O)CSP(=S)(OC)OC","COCCNC(=O)CSP(=S)(OC)OC",{"$nulls":4},273.0258366220005,"?"]
[2739,"CCSCCS[P](=O)(OC)OC","919-86-8","CCSCCSP(=O)(OC)OC","CCSCCSP(=O)(OC)OC",{"$nulls":4},230.02002297,"?"]
[2740,"CCOC(C)(C)CC","919-94-8","CCOC(C)(C)CC","CCOC(C)(C)CC",{"$nulls":4},116.120115132,"?"]
[2741,"CC(C(O)=O)C(C)(C)CCC(O)=O","920-79-6","CC(C(=O)O)C(C)(C)CCC(=O)O","CC(C(=O)O)C(C)(C)CCC(=O)O",{"$nulls":4},188.104858992,"?"]
[2742,"OC(=O)CC(Br)C(O)=O","923-06-8","O=C(O)CC(Br)C(=O)O","O=C(O)CC(Br)C(=O)O",{"$nulls":4},195.93712074,"?"]
[2743,null,"923-18-2",{"$nulls":7},""]
[2744,"CCCCN(CCCC)N=O","924-16-3","CCCCN(CCCC)N=O","CCCCN(CCCC)N=O",{"$nulls":4},158.141913196,"?"]
[2745,"OCNC(=O)C=C","924-42-5","C=CC(=O)NCO","C=CC(=O)NCO",{"$nulls":4},101.047678464,"?"]
[2746,null,"924-57-2",{"$nulls":7},""]
[2747,null,"924-62-9",{"$nulls":7},""]
[2748,"CCCC(=O)NCCNC(=O)CCC","925-49-5","CCCC(=O)NCCNC(=O)CCC","CCCC(=O)NCCNC(=O)CCC",{"$nulls":4},200.15247788,"?"]
[2749,"CCCCCC(=O)CCCCC","927-49-1","CCCCCC(=O)CCCCC","CCCCCC(=O)CCCCC",{"$nulls":4},170.167065324,"?"]
[2750,"CC(O)=O.OCCBr","927-68-4","OCCBr","OCCBr","CC(O)=O",{"$nulls":3},183.973506248,"?"]
[2751,"CCCCO[N+]([O-])=O","928-45-0","CCCCO[N+](=O)[O-]","CCCCO[N+](=O)[O-]",{"$nulls":4},119.058243148,"?"]
[2752,"CCC#CCC","928-49-4","CCC#CCC","CCC#CCC",{"$nulls":4},82.07825032,"?"]
[2753,"O=NN1CCCC1","930-55-2","O=NN1CCCC1","O=NN1CCCC1",{"$nulls":4},100.063662876,"?"]
[2754,"O=NN1CCCCCC1","932-83-2","O=NN1CCCCCC1","O=NN1CCCCCC1",{"$nulls":4},128.094963004,"?"]
[2755,"Oc1c(Cl)ccc(Cl)c1Cl","933-75-5","Oc1c(Cl)ccc(Cl)c1Cl","Oc1c(c(ccc1Cl)Cl)Cl",{"$nulls":4},195.924947756,"?"]
[2756,"Cc1nc2c[nH]cnc2n1","934-33-8","Cc1nc2c[nH]cnc-2n1","Cc1nc2-c(n1)c[nH]cn2",{"$nulls":4},134.059246192,"?"]
[2757,"O=C1CCCCCCCN1","935-30-8","O=C1CCCCCCCN1","O=C1NCCCCCCC1",{"$nulls":4},141.1153641,"?"]
[2758,"O=[S]1(=O)NCc2ccccc12","936-16-3","O=S1(=O)NCc2ccccc21","O=S1(c2c(CN1)cccc2)=O",{"$nulls":4},169.019749464,"?"]
[2759,"Cc1cnc2cncnc2n1","936-40-3","Cc1cnc2cncnc2n1","Cc1nc2c(nc1)cncn2",{"$nulls":4},146.059246192,"?"]
[2760,"CN(Cc1ccccc1)N=O","937-40-6","CN(Cc1ccccc1)N=O","CN(Cc1ccccc1)N=O",{"$nulls":4},150.07931294,"?"]
[2761,"BrC1=CC(=O)Oc2ccccc12","938-40-9","O=c1cc(Br)c2ccccc2o1","O=c1oc2c(c(c1)Br)cccc2",{"$nulls":4},223.9472915,"?"]
[2762,"COc1cc(Cl)c(Cl)c(Cl)c1Cl","938-86-3","COc1cc(Cl)c(Cl)c(Cl)c1Cl","COc1c(c(c(c(c1)Cl)Cl)Cl)Cl",{"$nulls":4},243.901625468,"?"]
[2763,"CCc1ccc2ccccc2c1","939-27-5","CCc1ccc2ccccc2c1","CCc1cc2c(cc1)cccc2",{"$nulls":4},156.093900384,"?"]
[2764,"Cc1ccc(OCC(O)=O)cc1","940-64-7","Cc1ccc(OCC(=O)O)cc1","Cc1ccc(cc1)OCC(=O)O",{"$nulls":4},166.06299418,"?"]
[2765,null,"943-89-5",{"$nulls":7},""]
[2766,"OS.FONOP","944-22-9",null,null,"FONOP","OS",null,null,296.934532708,"?"]
[2767,"COc1c(Cl)c(Cl)c(Cl)c(Cl)c1OC","944-61-6","COc1c(Cl)c(Cl)c(Cl)c(Cl)c1OC","COc1c(c(c(c(c1Cl)Cl)Cl)Cl)OC",{"$nulls":4},273.91219015200016,"?"]
[2768,"CCO[P](=O)(OCC)N=C1SCCS1","947-02-4","CCOP(=O)(N=C1SCCS1)OCC","CCOP(=O)(N=C1SCCS1)OCC",{"$nulls":4},255.015271938,"?"]
[2769,"O=C1CCCCCCCCCCCN1","947-04-6","O=C1CCCCCCCCCCCN1","O=C1NCCCCCCCCCCC1",{"$nulls":4},197.177964356,"?"]
[2770,null,"950-10-7",{"$nulls":7},""]
[2771,"COC1=NN(CS[P](=S)(OC)OC)C(=O)S1","950-37-8","COc1nn(CSP(=S)(OC)OC)c(=O)s1","COc1sc(n(n1)CSP(=S)(OC)OC)=O",{"$nulls":4},301.96185646200036,"?"]
[2772,"[H+].[H+].[Cl-].[Cl-].Nc1ccc2cc3ccc(N)cc3nc2c1","952-23-8","Nc1ccc2cc3ccc(N)cc3nc2c1","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2","[Cl-]","[Cl-]","[H+]","[H+]",281.048652776,"?"]
[2773,null,"952-54-5",{"$nulls":7},""]
[2774,null,"953-17-3",{"$nulls":7},""]
[2775,"CN(C)C(=O)C(c1ccccc1)c2ccccc2","957-51-7","CN(C)C(=O)C(c1ccccc1)c1ccccc1","CN(C)C(=O)C(c1ccccc1)c2ccccc2",{"$nulls":4},239.131014164,"?"]
[2776,null,"959-98-8",{"$nulls":7},""]
[2777,"CO[P](=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl","961-11-5","COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},363.89925611800027,"?"]
[2778,"[O-][N+](=O)c1ccc(Nc2ccccc2)c(c1)[N+]([O-])=O","961-68-2","O=[N+]([O-])c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)Nc2ccccc2)[N+](=O)[O-]",{"$nulls":4},259.0593057680001,"?"]
[2779,null,"963-14-4",{"$nulls":7},""]
[2780,null,"963-85-9",{"$nulls":7},""]
[2781,null,"963-86-0",{"$nulls":7},""]
[2782,"CC(=O)c1ccc(cc1)[S](=O)(=O)NC(=O)NC2CCCCC2","968-81-0","CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2",{"$nulls":4},324.11437812000054,"?"]
[2783,"CC(=O)C1(C)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C","977-79-7","CC(=O)C1(C)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C",{"$nulls":4},340.2402302640009,"?"]
[2784,"OC(c1ccccc1)(c2ccccn2)C3=CC4C5C(C3C4=C(c6ccccc6)c7ccccn7)C(=O)NC5=O","991-42-4","O=C1NC(=O)C2C3C(C(O)(c4ccccc4)c4ccccn4)=CC(C3=C(c3ccccc3)c3ccccn3)C12","O=C1C2C(C(N1)=O)C3C(C2C=C3C(O)(c4ccccc4)c5ncccc5)=C(c6ccccc6)c7ncccc7",{"$nulls":4},511.1895916600007,"?"]
[2785,"C[P](O)(O)=O","993-13-5","CP(=O)(O)O","CP(=O)(O)O",{"$nulls":4},95.99763065,"?"]
[2786,"CC(C)N(C)C","996-35-0","CC(C)N(C)C","CC(C)N(C)C",{"$nulls":4},87.10479941599999,"?"]
[2787,"CCOC(=O)CO[N+]([O-])=O","999-17-7","CCOC(=O)CO[N+](=O)[O-]","CCOC(=O)CO[N+](=O)[O-]",{"$nulls":4},149.032422324,"?"]
[2788,"CCOC(=O)CNC(=O)OCC","999-30-4","CCOC(=O)CNC(=O)OCC","CCOC(=O)CNC(=O)OCC",{"$nulls":4},175.084457896,"?"]
[2789,"CC(O)COC(=O)C=C","999-61-1","C=CC(=O)OCC(C)O","C=CC(=O)OCC(C)O",{"$nulls":4},130.06299418,"?"]
[2790,"NC(=O)NCO","1000-82-4","NC(=O)NCO","NC(=O)NCO",{"$nulls":4},90.042927432,"?"]
[2791,"CCCCCO[N+]([O-])=O","1002-16-0","CCCCCO[N+](=O)[O-]","CCCCCO[N+](=O)[O-]",{"$nulls":4},133.073893212,"?"]
[2792,"CC1CCC(C)O1","1003-38-9","CC1CCC(C)O1","CC1OC(CC1)C",{"$nulls":4},100.088815004,"?"]
[2793,"Cc1cc[n+]([O-])cc1","1003-67-4","Cc1cc[n+]([O-])cc1","Cc1cc[n+](cc1)[O-]",{"$nulls":4},109.052763844,"?"]
[2794,"CC1=CC=C[NH++]([O-])[CH-]1","1003-73-2","CC1=CC=C[NH+2]([O-])[CH-]1","CC1=CC=C[NH+2]([O-])[CH-]1",{"$nulls":4},110.060588876,"Errors in neutralization"]
[2795,null,"1007-28-9",{"$nulls":7},""]
[2796,"O=C1CCCCCCCCCN1","1009-89-8","O=C1CCCCCCCCCN1","O=C1NCCCCCCCCC1",{"$nulls":4},169.146664228,"?"]
[2797,"CNc1nc(NC(C)C)nc(SC)n1","1014-69-3","CNc1nc(NC(C)C)nc(SC)n1","CNc1nc(nc(n1)NC(C)C)SC",{"$nulls":4},213.10481647999998,"?"]
[2798,"CCNc1nc(NCC)nc(SC)n1","1014-70-6","CCNc1nc(NCC)nc(SC)n1","CCNc1nc(nc(n1)NCC)SC",{"$nulls":4},213.10481647999998,"?"]
[2799,null,"1021-65-4",{"$nulls":7},""]
[2800,null,"1022-46-4",{"$nulls":7},""]
[2801,"ClC1C2OC2C3C1C4(Cl)C(=C(Cl)C3(Cl)C4(Cl)Cl)Cl","1024-57-3","ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C(O4)C3Cl)Cl",{"$nulls":4},385.81600854000015,"?"]
[2802,"ClC1=C(Cl)C2(Cl)C3CO[S](=O)(=O)OCC3C1(Cl)C2(Cl)Cl","1031-07-8","O=S1(=O)OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1(OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)=O",{"$nulls":4},419.81179575200014,"?"]
[2803,null,"1031-47-6",{"$nulls":7},""]
[2804,"OC(=O)CNc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","1032-44-6","O=C(O)CNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)CNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},286.0185631520001,"?"]
[2805,"CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1","1034-01-1","CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1","CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O",{"$nulls":4},282.14672380400066,"?"]
[2806,null,"1050-79-9",{"$nulls":7},""]
[2807,"C[Si](C)(O)O","1066-42-8","C[Si](C)(O)O","C[Si](C)(O)O",{"$nulls":4},92.029356026,"?"]
[2808,"CC[Pb](Cl)(CC)CC","1067-14-7","CC[Pb](Cl)(CC)CC","CC[Pb](Cl)(CC)CC",{"$nulls":4},330.0628802600004,"?"]
[2809,"CCCC[Sn++]CCCC.CC([O-])=O.CC([O-])=O","1067-33-0","CCCC[Sn+2]CCCC","CCCC[Sn+2]CCCC","CC([O-])=O","CC([O-])=O",null,null,352.069653948,"Errors in neutralization"]
[2810,"OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)CO","1069-00-7","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",{"$nulls":4},212.089602852,"?"]
[2811,"OC(=O)CNC[P](O)(O)=O","1071-83-6","O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O",{"$nulls":4},169.014008986,"?"]
[2812,"S=C1NNC(=S)S1","1072-71-5","S=c1[nH][nH]c(=S)s1","S=c1sc([nH][nH]1)=S",{"$nulls":4},149.938011064,"?"]
[2813,"Fc1ccccc1Br","1072-85-1","Fc1ccccc1Br","Fc1c(cccc1)Br",{"$nulls":4},173.948040448,"?"]
[2814,"Fc1cccc(Br)c1","1073-06-9","Fc1cccc(Br)c1","Fc1cc(ccc1)Br",{"$nulls":4},173.948040448,"?"]
[2815,"Oc1cnn(c1)c2ccccc2","1076-60-4","Oc1cnn(-c2ccccc2)c1","Oc1cn(nc1)-c2ccccc2",{"$nulls":4},160.063662876,"?"]
[2816,"CCCCCCc1ccccc1","1077-16-3","CCCCCCc1ccccc1","CCCCCCc1ccccc1",{"$nulls":4},162.140850576,"?"]
[2817,"CCCCCCCc1ccccc1","1078-71-3","CCCCCCCc1ccccc1","CCCCCCCc1ccccc1",{"$nulls":4},176.15650064,"?"]
[2818,null,"1079-02-3",{"$nulls":7},""]
[2819,"Cc1ccc(cc1)[S](=O)(=O)NCC(O)=O","1080-44-0","Cc1ccc(S(=O)(=O)NCC(=O)O)cc1","Cc1ccc(cc1)S(=O)(=O)NCC(=O)O",{"$nulls":4},229.040878832,"?"]
[2820,"CCCCCCOC(=O)c1ccc(O)cc1","1083-27-8","CCCCCCOC(=O)c1ccc(O)cc1","CCCCCCOC(=O)c1ccc(cc1)O",{"$nulls":4},222.125594436,"?"]
[2821,"CCCCCCCOC(=O)c1ccc(O)cc1","1085-12-7","CCCCCCCOC(=O)c1ccc(O)cc1","CCCCCCCOC(=O)c1ccc(cc1)O",{"$nulls":4},236.1412445,"?"]
[2822,"CN(C)[S](=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1","1085-98-9","CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1","CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1",{"$nulls":4},331.9623031720003,"?"]
[2823,"CC(C)(C)C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C","1107-99-9","CC(C)(C)C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C","CC(C)(C)C(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O",{"$nulls":4},444.25118887200097,"?"]
[2824,"CNC(=O)CS[P](=O)(OC)OC","1113-02-6","CNC(=O)CSP(=O)(OC)OC","CNC(=O)CSP(=O)(OC)OC",{"$nulls":4},213.022465494,"?"]
[2825,"CCCCN(CC)C(=O)SCCC","1114-71-2","CCCCN(CC)C(=O)SCCC","CCCCN(CC)C(=O)SCCC",{"$nulls":4},203.134385292,"?"]
[2826,"CSCCC(NC(C)=O)C(O)=O","1115-47-5","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",{"$nulls":4},191.061614276,"?"]
[2827,null,"1115-51-1",{"$nulls":7},""]
[2828,"CC(CC(N)=O)C(N)=O","1115-61-3","CC(CC(N)=O)C(N)=O","CC(CC(N)=O)C(N)=O",{"$nulls":4},130.07422756,"?"]
[2829,null,"1115-90-8",{"$nulls":7},""]
[2830,"OCCN(CCO)N=O","1116-54-7","O=NN(CCO)CCO","O=NN(CCO)CCO",{"$nulls":4},134.06914218,"?"]
[2831,null,"1116-76-3",{"$nulls":7},""]
[2832,"CC(C)(C)NC(N)=O","1118-12-3","CC(C)(C)NC(N)=O","CC(C)(C)NC(N)=O",{"$nulls":4},116.094963004,"?"]
[2833,"C[Si](C)(O)O[Si](C)(C)O","1118-15-6","C[Si](C)(O)O[Si](C)(C)O","C[Si](C)(O)O[Si](C)(C)O",{"$nulls":4},166.048147368,"?"]
[2834,"COC(=O)CCCC(=O)OC","1119-40-0","COC(=O)CCCC(=O)OC","COC(=O)CCCC(=O)OC",{"$nulls":4},160.073558864,"?"]
[2835,"OC(=O)CCSSCCC(O)=O","1119-62-6","O=C(O)CCSSCCC(=O)O","O=C(O)CCSSCCC(=O)O",{"$nulls":4},210.0020508,"?"]
[2836,"CCCCC#CC","1119-65-9","CC#CCCCC","CC#CCCCC",{"$nulls":4},96.093900384,"?"]
[2837,"CCCCCCCCCCC","1120-21-4","CCCCCCCCCCC","CCCCCCCCCCC",{"$nulls":4},156.187800768,"?"]
[2838,"Cc1cc(C)c(C)cn1","1122-39-0","Cc1cc(C)c(C)cn1","Cc1ncc(c(c1)C)C",{"$nulls":4},121.08914935199999,"?"]
[2839,"CN(C)c1ccncc1","1122-58-3","CN(C)c1ccncc1","CN(C)c1ccncc1",{"$nulls":4},122.08439831999999,"?"]
[2840,"CCc1cccc(C)n1","1122-69-6","CCc1cccc(C)n1","CCc1nc(ccc1)C",{"$nulls":4},121.08914935199999,"?"]
[2841,"OC(=O)C1(O)CCCCC1","1123-28-0","O=C(O)C1(O)CCCCC1","O=C(O)C1(CCCCC1)O",{"$nulls":4},144.07864424399997,"?"]
[2842,"Cc1cc(Cl)cc(C)c1O","1123-63-3","Cc1cc(Cl)cc(C)c1O","Cc1c(c(cc(c1)Cl)C)O",{"$nulls":4},156.034192588,"?"]
[2843,"Oc1ccc2CCCCc2c1","1125-78-6","Oc1ccc2c(c1)CCCC2","Oc1cc2c(cc1)CCCC2",{"$nulls":4},148.088815004,"?"]
[2844,"Clc1cnc2ncncc2n1","1125-82-2","Clc1cnc2ncncc2n1","Clc1nc2c(nc1)ncnc2",{"$nulls":4},166.004623776,"?"]
[2845,"Clc1cnc2cncnc2n1","1125-84-4","Clc1cnc2cncnc2n1","Clc1nc2c(nc1)cncn2",{"$nulls":4},166.004623776,"?"]
[2846,"Oc1ccc(CC=C)cc1O","1126-61-0","C=CCc1ccc(O)c(O)c1","C=CCc1cc(c(cc1)O)O",{"$nulls":4},150.06807956,"?"]
[2847,"CCc1cccc2ccccc12","1127-76-0","CCc1cccc2ccccc12","CCc1c2c(ccc1)cccc2",{"$nulls":4},156.093900384,"?"]
[2848,"CN(C([O-])=O)c1cccc(C)c1","1129-41-5","Cc1cccc(N(C)C(=O)[O-])c1","Cc1cc(ccc1)N(C)C(=O)O",{"$nulls":4},164.07115356,"Structure has been neutralized"]
[2849,"Cc1cc(N)n(n1)c2ccccc2","1131-18-6","Cc1cc(N)n(-c2ccccc2)n1","Cc1nn(c(c1)N)-c2ccccc2",{"$nulls":4},173.095297352,"?"]
[2850,"Oc1ccc(cc1)C2CCCCC2","1131-60-8","Oc1ccc(C2CCCCC2)cc1","Oc1ccc(cc1)C2CCCCC2",{"$nulls":4},176.120115132,"?"]
[2851,"CCSC(=O)N(CC)C1CCCCC1","1134-23-2","CCSC(=O)N(CC)C1CCCCC1","CCSC(=O)N(CC)C1CCCCC1",{"$nulls":4},215.134385292,"?"]
[2852,"Cl[Sn](Cl)(c1ccccc1)c2ccccc2","1135-99-5","Cl[Sn](Cl)(c1ccccc1)c1ccccc1","Cl[Sn](Cl)(c1ccccc1)c2ccccc2",{"$nulls":4},343.91815038000027,"?"]
[2853,"CCCCN1C(=O)N(C)c2ncn(C)c2C1=O","1143-30-2","CCCCn1c(=O)c2c(ncn2C)n(C)c1=O","CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",{"$nulls":4},236.127325752,"?"]
[2854,"Cc1ccc(cc1)[S](=O)(=O)NC(=O)NN2CCCCCC2","1156-19-0","Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1","Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2",{"$nulls":4},311.1303625320006,"?"]
[2855,"NCc1ccc(cc1)[S](N)(=O)=O.NC(=S)N[S](=O)(=O)c2ccc(N)cc2","1161-88-2","NC(=S)NS(=O)(=O)c1ccc(N)cc1","NC(=S)NS(=O)(=O)c1ccc(cc1)N","NCc1ccc(cc1)S(N)(=O)=O",{"$nulls":3},417.059917088,"?"]
[2856,"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(C)=O","1177-87-3","CC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O",{"$nulls":4},434.21046693200077,"?"]
[2857,"COC1[CH](O)C(C)O[CH](O[CH]2CC[C]3(C=O)[CH](CCC4C3CC[C]5(C)[CH](CC[C]45O)C6=CC(=O)OC6)C2)C1O","1182-87-2","COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1O","COC1C(C(OC(C1O)C)OC2CC3C(CC2)(C4C(CC3)C5(C(CC4)(C)C(C=6COC(C6)=O)CC5)O)C=O)O",{"$nulls":4},548.2985329880012,"?"]
[2858,"CCC(C)(C)CO","1185-33-7","CCC(C)(C)CO","CCC(C)(C)CO",{"$nulls":4},102.104465068,"?"]
[2859,"CCC(C(C)C(O)=O)C(O)=O","1186-78-3","CCC(C(=O)O)C(C)C(=O)O","CCC(C(=O)O)C(C)C(=O)O",{"$nulls":4},160.073558864,"?"]
[2860,"CCC(C(CC)C(O)=O)C(O)=O","1186-79-4","CCC(C(=O)O)C(CC)C(=O)O","CCC(C(=O)O)C(CC)C(=O)O",{"$nulls":4},174.089208928,"?"]
[2861,"N[CH](C(O)C(O)=O)C(O)=O","1186-90-9","NC(C(=O)O)C(O)C(=O)O","NC(C(=O)O)C(O)C(=O)O",{"$nulls":4},149.032422324,"?"]
[2862,"CCN(CC)C(=O)N(CC)CC","1187-03-7","CCN(CC)C(=O)N(CC)CC","CCN(CC)C(=O)N(CC)CC",{"$nulls":4},172.15756326,"?"]
[2863,"CC(C)C[CH](N)C(=O)NCC(=O)NCC(O)=O","1187-50-4","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O",{"$nulls":4},245.137556088,"?"]
[2864,"CC(C)C[CH](NC(C)=O)C(O)=O","1188-21-2","CC(=O)NC(CC(C)C)C(=O)O","CC(=O)NC(CC(C)C)C(=O)O",{"$nulls":4},173.10519334,"?"]
[2865,"CC1COC(C)(C)O1","1193-11-9","CC1COC(C)(C)O1","CC1OC(OC1)(C)C",{"$nulls":4},116.083729624,"?"]
[2866,null,"1193-24-4",{"$nulls":7},""]
[2867,"Clc1cccc(Cl)c1C#N","1194-65-6","N#Cc1c(Cl)cccc1Cl","N#Cc1c(cccc1Cl)Cl",{"$nulls":4},170.964254456,"?"]
[2868,"Oc1ccc(O)c(C=O)c1","1194-98-5","O=Cc1cc(O)ccc1O","O=Cc1c(ccc(c1)O)O",{"$nulls":4},138.031694052,"?"]
[2869,"NCC1CCC(CC1)C(O)=O","1197-18-8","NCC1CCC(C(=O)O)CC1","NCC1CCC(CC1)C(=O)O",{"$nulls":4},157.11027872,"?"]
[2870,"Cc1cc(C)c2ccccc2n1","1198-37-4","Cc1cc(C)c2ccccc2n1","Cc1nc2c(c(c1)C)cccc2",{"$nulls":4},157.089149352,"?"]
[2871,"Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl","1198-55-6","Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl","Oc1c(c(c(c(c1O)Cl)Cl)Cl)Cl",{"$nulls":4},245.880890024,"?"]
[2872,null,"1199-99-1",{"$nulls":7},""]
[2873,"CC(NC(=O)c1ccccc1)C(O)=O","1205-02-3","CC(NC(=O)c1ccccc1)C(=O)O","CC(NC(=O)c1ccccc1)C(=O)O",{"$nulls":4},193.073893212,"?"]
[2874,null,"1205-08-9",{"$nulls":7},""]
[2875,"CN1c2ccccc2Sc3ccccc13","1207-72-3","CN1c2ccccc2Sc2ccccc21","CN1c2c(Sc3c1cccc3)cccc2",{"$nulls":4},213.061220352,"?"]
[2876,"C(Nc1[nH]cnc2ncnc12)c3ccccc3","1214-39-7","c1ccc(CNc2[nH]cnc3ncnc2-3)cc1","c1ccc(cc1)CNc2c3-c(nc[nH]2)ncn3",{"$nulls":4},225.10144535199998,"?"]
[2877,null,"1219-38-1",{"$nulls":7},""]
[2878,"CC1COCc2cc3c(cc12)C(C)(C)C(C)C3(C)C","1222-05-5","CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C","CC1c2c(COC1)cc3C(C(C(c3c2)(C)C)C)(C)C",{"$nulls":4},258.1983654520001,"?"]
[2879,"[Br-].CC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4","1239-45-8","CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21","CC[n+]1c2c(c3c(c1-c4ccccc4)cc(N)cc3)ccc(N)c2","[Br-]",{"$nulls":3},393.0840597400006,"?"]
[2880,"CCCCC(CC)CO[P](=O)(Oc1ccccc1)Oc2ccccc2","1241-94-7","CCCCC(CC)COP(=O)(Oc1ccccc1)Oc1ccccc1","CCCCC(CC)COP(=O)(Oc1ccccc1)Oc2ccccc2",{"$nulls":4},362.1646959740007,"?"]
[2881,"O=C1NNC=C1CC2=CNNC2=O","1251-85-0","O=c1[nH][nH]cc1Cc1c[nH][nH]c1=O","O=c1c(c[nH][nH]1)Cc2c([nH][nH]c2)=O",{"$nulls":4},180.064725496,"?"]
[2882,"Cc1c(C(O)=O)c(O)cc2C(=O)c3c(O)c(O)c([CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)c(O)c3C(=O)c12","1260-17-9","Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O",{"$nulls":4},492.0903907000004,"?"]
[2883,null,"1300-21-6",{"$nulls":7},""]
[2884,"Cc1cccc(N)c1C","1300-73-8","Cc1cccc(N)c1C","Cc1c(c(ccc1)N)C",{"$nulls":4},121.08914935199999,"?"]
[2885,"OC(=O)c1cccc(I)c1OI","1321-04-6","O=C(O)c1cccc(I)c1OI","O=C(O)c1c(c(ccc1)I)OI",{"$nulls":4},389.8249899880001,"?"]
[2886,"O=CC1CCCC=C1","1321-16-0","O=CC1C=CCCC1","O=CC1CCCC=C1",{"$nulls":4},110.07316494,"?"]
[2887,null,"1321-65-9",{"$nulls":7},""]
[2888,null,"1321-94-4",{"$nulls":7},""]
[2889,null,"1330-20-7",{"$nulls":7},""]
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[2891,"CC1CCCCC1=O","1331-22-2","CC1CCCCC1=O","CC1C(CCCC1)=O",{"$nulls":4},112.088815004,"?"]
[2892,"CCCCCC(C)C(C)(C)C#CC(C)(O)O","1333-17-1","CCCCCC(C)C(C)(C)C#CC(C)(O)O","CCCCCC(C)C(C)(C)C#CC(C)(O)O",{"$nulls":4},226.193280072,"?"]
[2893,"CC1OC(=O)C=C1","1333-38-6","CC1C=CC(=O)O1","CC1OC(C=C1)=O",{"$nulls":4},98.036779432,"?"]
[2894,"COc1ccc(cc1)C(O)=O","1335-08-6","COc1ccc(C(=O)O)cc1","COc1ccc(cc1)C(=O)O",{"$nulls":4},152.047344116,"?"]
[2895,"Clc1ccc(O[S](=O)(=O)c2ccccc2)cc1","1336-36-3","O=S(=O)(Oc1ccc(Cl)cc1)c1ccccc1","O=S(=O)(Oc1ccc(cc1)Cl)c2ccccc2","PCBS",{"$nulls":3},359.99818105000026,"?"]
[2896,"Cc1c(C(O)=O)c(O)cc2C(=O)c3c(O)c(O)c([CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)c(O)c3C(=O)c12","1390-65-4","Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O",{"$nulls":4},492.0903907000004,"?"]
[2897,"CC1OC(=O)CC(O)CC(O)CC(O)CCC(O)C(O)CC(=O)CC(O)C(C(O)CC(OC2O[CH](C)[CH](O)[CH](N)[CH]2O)C=CC=CC=CC=CCCC=CC=CC(C)C(O)C1C)C(O)=O","1400-61-9","CC1C=CC=CCCC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O","CC1C(C(C(OC(CC(CC(CC(CCC(C(CC(CC(C(C(CC(C=CC=CC=CC=CCCC=CC=C1)OC2C(C(C(C(O2)C)O)N)O)O)C(=O)O)O)=O)O)O)O)O)O)=O)C)C)O",{"$nulls":4},925.503499940002,"?"]
[2898,"OCC1OC(C(O)C(O)C1O)C2c3cccc(O)c3C(=O)c4c(O)cc(CO)cc24","1415-73-2","O=C1c2c(O)cccc2C(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21","O=C1c2c(C(c3c1c(O)ccc3)C4C(C(C(C(O4)CO)O)O)O)cc(CO)cc2O",{"$nulls":4},418.12638228400056,"?"]
[2899,"NCCO.Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O","1420-04-8","O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O","NCCO",{"$nulls":3},387.03887594000025,"?"]
[2900,"C1CN(CCO1)C(c2ccccc2)(c3ccccc3)c4ccccc4","1420-06-0","c1ccc(C(c2ccccc2)(c2ccccc2)N2CCOCC2)cc1","c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCOCC4",{"$nulls":4},329.17796435600064,"?"]
[2901,"CC(C)(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O","1420-07-1","CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","CC(C)(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",{"$nulls":4},240.074621484,"?"]
[2902,"Oc1ccc(cc1)N=Nc2ccc(cc2)[N+]([O-])=O","1435-60-5","O=[N+]([O-])c1ccc(N=Nc2ccc(O)cc2)cc1","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)O",{"$nulls":4},243.064391148,"?"]
[2903,"CC(C)O[P](C)(=O)OC(C)C","1445-75-6",null,null,"CC(C)OP(C)(=O)OC(C)C",{"$nulls":3},467.9789268220002,"?"]
[2904,"NC(=O)c1ccccn1","1452-77-3","NC(=O)c1ccccn1","NC(=O)c1ncccc1",{"$nulls":4},122.048012812,"?"]
[2905,"CCCCCCCCCCCCCCCCCO","1454-85-9","CCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCO",{"$nulls":4},256.276615772,"?"]
[2906,"CC1CN(CC(C)O1)N=O","1456-28-6","CC1CN(N=O)CC(C)O1","CC1OC(CN(C1)N=O)C",{"$nulls":4},144.089877624,"?"]
[2907,"COC(=O)c1cccc(c1)C(=O)OC","1459-93-4","COC(=O)c1cccc(C(=O)OC)c1","COC(=O)c1cc(ccc1)C(=O)OC",{"$nulls":4},194.0579088,"?"]
[2908,"CCCC[Sn](Cl)(CCCC)CCCC","1461-22-9","CCCC[Sn](Cl)(CCCC)CCCC","CCCC[Sn](Cl)(CCCC)CCCC",{"$nulls":4},326.08232324400075,"?"]
[2909,"Cc1ccc(C)c(C)n1","1462-84-6","Cc1ccc(C)c(C)n1","Cc1nc(c(cc1)C)C",{"$nulls":4},121.08914935199999,"?"]
[2910,"OC[CH]1O[CH](Oc2ccccc2)[CH](O)[CH](O)[CH]1O","1464-44-4","OCC1OC(Oc2ccccc2)C(O)C(O)C1O","OCC1C(C(C(C(O1)Oc2ccccc2)O)O)O",{"$nulls":4},256.094688232,"?"]
[2911,"CCC12OC1O2","1464-53-5","CCC12OC1O2","CCC12C(O1)O2",{"$nulls":4},86.036779432,"?"]
[2912,"Oc1ccc2CCCc2c1","1470-94-6","Oc1ccc2c(c1)CCC2","Oc1cc2c(cc1)CCC2",{"$nulls":4},134.07316494,"?"]
[2913,null,"1476-11-5",{"$nulls":7},""]
[2914,null,"1484-80-6",{"$nulls":7},""]
[2915,"CC(C)C1CCC(C)CC1O","1490-04-6","CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O",{"$nulls":4},156.15141526,"?"]
[2916,"O=C1CCCCC1C2=CCCCC2","1502-22-3","O=C1CCCCC1C1=CCCCC1","O=C1C(CCCC1)C=2CCCCC2",{"$nulls":4},178.135765196,"?"]
[2917,"CC(=O)Oc1cc(Br)ccc1C(O)=O","1503-53-3","CC(=O)Oc1cc(Br)ccc1C(=O)O","CC(=O)Oc1c(ccc(c1)Br)C(=O)O",{"$nulls":4},257.95277080400007,"?"]
[2918,"CSCC[CH](NC(C)=O)C(O)=O","1509-92-8","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",{"$nulls":4},191.061614276,"?"]
[2919,"CC(O)c1ccccc1","1517-69-7","CC(O)c1ccccc1","CC(O)c1ccccc1",{"$nulls":4},122.07316494,"?"]
[2920,"C[Pb](C)(C)Cl","1520-78-1","C[Pb](C)(C)Cl","C[Pb](C)(C)Cl",{"$nulls":4},288.0159300680002,"?"]
[2921,"CCN(CC)C(=O)CCC(O)=O","1522-00-5","CCN(CC)C(=O)CCC(=O)O","CCN(CC)C(=O)CCC(=O)O",{"$nulls":4},173.10519334,"?"]
[2922,"CNC(=O)Oc1cccc2CC(C)(C)Oc12","1563-66-2","CNC(=O)Oc1cccc2c1OC(C)(C)C2","CNC(=O)Oc1c2c(ccc1)CC(O2)(C)C",{"$nulls":4},221.10519334,"?"]
[2923,null,"1565-94-2",{"$nulls":7},""]
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[2925,"COc1ccc(O)c(c1)[N+]([O-])=O","1568-70-3","COc1ccc(O)c([N+](=O)[O-])c1","COc1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},169.037507704,"?"]
[2926,"CCCOCC(C)O","1569-01-3","CCCOCC(C)O","CCCOCC(C)O",{"$nulls":4},118.099379688,"?"]
[2927,"CC=CC(C)O","1569-50-2","CC=CC(C)O","CC=CC(C)O",{"$nulls":4},86.07316494,"?"]
[2928,"Cc1cc(Cl)ccc1O","1570-64-5","Cc1cc(Cl)ccc1O","Cc1c(ccc(c1)Cl)O",{"$nulls":4},142.018542524,"?"]
[2929,"Cc1cc(Cl)cc(Cl)c1O","1570-65-6","Cc1cc(Cl)cc(Cl)c1O","Cc1c(c(cc(c1)Cl)Cl)O",{"$nulls":4},175.979570172,"?"]
[2930,"O[P](O)(=O)c1ccccc1","1571-33-1","O=P(O)(O)c1ccccc1","O=P(O)(O)c1ccccc1",{"$nulls":4},158.013280714,"?"]
[2931,"NC(=O)c1cccc(c1)[S](N)(=O)=O","1576-42-7","NC(=O)c1cccc(S(N)(=O)=O)c1","NC(=O)c1cc(ccc1)S(N)(=O)=O",{"$nulls":4},200.025563116,"?"]
[2932,"OC(=O)C=C(Br)Br","1578-21-8","O=C(O)C=C(Br)Br","O=C(O)C=C(Br)Br",{"$nulls":4},227.842153504,"?"]
[2933,"OC(=O)C(Br)=CBr","1578-72-9","O=C(O)C(Br)=CBr","O=C(O)C(Br)=CBr",{"$nulls":4},227.842153504,"?"]
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[2935,"CCCCOC(=O)CC(O)C(=O)OCCCC","1587-18-4","CCCCOC(=O)CC(O)C(=O)OCCCC","CCCCOC(=O)CC(O)C(=O)OCCCC",{"$nulls":4},246.146723804,"?"]
[2936,"CC(NC(N)=O)NC(N)=O","1589-36-2","CC(NC(N)=O)NC(N)=O","CC(NC(N)=O)NC(N)=O",{"$nulls":4},146.08037556,"?"]
[2937,"NC(=O)NN=C1CCCCC1","1589-61-3","NC(=O)NN=C1CCCCC1","NC(=O)NN=C1CCCCC1",{"$nulls":4},155.105862036,"?"]
[2938,"OC(=O)CCC(=O)c1ccc2ccccc2c1","1590-22-3","O=C(O)CCC(=O)c1ccc2ccccc2c1","O=C(O)CCC(=O)c1cc2c(cc1)cccc2",{"$nulls":4},228.078644244,"?"]
[2939,"CN(C)NC(=O)CCC(O)=O","1596-84-5","CN(C)NC(=O)CCC(=O)O","CN(C)NC(=O)CCC(=O)O",{"$nulls":4},160.084792244,"?"]
[2940,null,"1600-27-7",{"$nulls":7},""]
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[2942,"CCNc1nc(NC(C)C)nc(OC)n1","1610-17-9","CCNc1nc(NC(C)C)nc(OC)n1","CCNc1nc(nc(n1)NC(C)C)OC",{"$nulls":4},211.14331016399998,"?"]
[2943,"COc1nc(NC(C)C)nc(NC(C)C)n1","1610-18-0","COc1nc(NC(C)C)nc(NC(C)C)n1","COc1nc(nc(n1)NC(C)C)NC(C)C",{"$nulls":4},225.15896022799998,"?"]
[2944,"C=CC=CC#N","1615-70-9","C=CC=CC#N","C=CC=CC#N",{"$nulls":4},79.04219916,"?"]
[2945,"[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1","1622-61-3","O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1","O=C1Nc2c(C(=NC1)c3c(cccc3)Cl)cc([N+](=O)[O-])cc2",{"$nulls":4},315.0410688600003,"?"]
[2946,"CN(C)C1CSSC1","1631-58-9","CN(C)C1CSSC1","CN(C)C1CSSC1",{"$nulls":4},149.033291352,"?"]
[2947,"COC(C)(C)C","1634-04-4","COC(C)(C)C","COC(C)(C)C",{"$nulls":4},88.088815004,"?"]
[2948,"CCOC(=O)CC(S[P](=O)(OC)OC)C(=O)OCC","1634-78-2","CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC","CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC",{"$nulls":4},314.0589105780005,"?"]
[2949,"CCCCCCCS","1639-09-4","CCCCCCCS","CCCCCCCS",{"$nulls":4},132.097271512,"?"]
[2950,"CNC(=O)ON=CC(C)(C)[S](C)=O","1646-87-3","CNC(=O)ON=CC(C)(C)S(C)=O","CNC(=O)ON=CC(C)(C)S(C)=O",{"$nulls":4},206.072513308,"?"]
[2951,"CNC(=O)ON=CC(C)(C)[S](C)(=O)=O","1646-88-4","CNC(=O)ON=CC(C)(C)S(C)(=O)=O","CNC(=O)ON=CC(C)(C)S(C)(=O)=O",{"$nulls":4},222.067427928,"?"]
[2952,"FC(F)(Cl)CCl","1649-08-7","FC(F)(Cl)CCl","FC(F)(Cl)CCl",{"$nulls":4},133.950161864,"?"]
[2953,"CCCCCCCCCC(C)O","1653-30-1","CCCCCCCCCC(C)O","CCCCCCCCCC(C)O",{"$nulls":4},172.182715388,"?"]
[2954,"CC(C)CCCCCO","1653-40-3","CC(C)CCCCCO","CC(C)CCCCCO",{"$nulls":4},130.135765196,"?"]
[2955,"Cc1cnc2c(ccc3c(C)c(C)cnc23)c1C","1660-93-1","Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C","Cc1c(c2c(nc1)c3c(cc2)c(C)c(C)cn3)C",{"$nulls":4},236.131348512,"?"]
[2956,"[H+].[Cl-].CN(C)CCC=C1c2ccccc2COc3ccccc13","1668-19-5","CN(C)CCC=C1c2ccccc2COc2ccccc21","CN(C)CCC=C1c2c(OCc3c1cccc3)cccc2","[Cl-]","[H+]",null,null,315.13899200400056,"?"]
[2957,"CCC1CCCCC1","1678-91-7","CCC1CCCCC1","CCC1CCCCC1",{"$nulls":4},112.12520051199999,"?"]
[2958,"CC1(C)C2CC3OC3(C)C1C2","1686-14-2","CC1(C)C2CC3OC3(C)C1C2","CC1(C2C3(C(CC1C2)O3)C)C",{"$nulls":4},152.120115132,"?"]
[2959,"CC1(C)OC(=O)c2ccccc12","1689-09-4","CC1(C)OC(=O)c2ccccc21","CC1(c2c(C(O1)=O)cccc2)C",{"$nulls":4},162.06807956,"?"]
[2960,"O=C1C=CC(C=C1)=NNc2ccccc2","1689-82-3","O=C1C=CC(=NNc2ccccc2)C=C1","O=C1C=CC(C=C1)=NNc2ccccc2",{"$nulls":4},198.07931294,"?"]
[2961,"Oc1c(I)cc(cc1I)C#N","1689-83-4","N#Cc1cc(I)c(O)c(I)c1","N#Cc1cc(c(c(c1)I)O)I",{"$nulls":4},370.83040971600013,"?"]
[2962,"Oc1c(Br)cc(cc1Br)C#N","1689-84-5","N#Cc1cc(Br)c(O)c(Br)c1","N#Cc1cc(c(c(c1)Br)O)Br",{"$nulls":4},274.8581379160001,"?"]
[2963,"CCCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N","1689-99-2","CCCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br","CCCCCCCC(=O)Oc1c(cc(cc1Br)C#N)Br",{"$nulls":4},400.9626029840005,"?"]
[2964,"ClC1=C(Cl)C(=O)N(N=C1)c2ccccc2","1698-53-9","O=c1c(Cl)c(Cl)cnn1-c1ccccc1","O=c1n(ncc(c1Cl)Cl)-c2ccccc2",{"$nulls":4},239.985718172,"?"]
[2965,"NC1=C(Cl)C(=O)N(N=C1)c2ccccc2","1698-60-8","Nc1cnn(-c2ccccc2)c(=O)c1Cl","Nc1c(c(n(nc1)-c2ccccc2)=O)Cl",{"$nulls":4},221.035589556,"?"]
[2966,"OC(=O)c1nc(Cl)ccc1Cl","1702-17-6","O=C(O)c1nc(Cl)ccc1Cl","O=C(O)c1c(ccc(n1)Cl)Cl",{"$nulls":4},190.954083696,"?"]
[2967,null,"1703-58-8",{"$nulls":7},""]
[2968,"Cc1cc2c3ccccc3ccc2c4ccccc14","1705-85-7","Cc1cc2c3ccccc3ccc2c2ccccc12","Cc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2",{"$nulls":4},242.109550448,"?"]
[2969,null,"1708-33-4",{"$nulls":7},""]
[2970,"CC(C)O[N+]([O-])=O","1712-64-7","CC(C)O[N+](=O)[O-]","CC(C)O[N+](=O)[O-]",{"$nulls":4},105.042593084,"?"]
[2971,"CC(F)(Cl)Cl","1717-00-6","CC(F)(Cl)Cl","CC(F)(Cl)Cl",{"$nulls":4},115.959583676,"?"]
[2972,"Cc1cccc2c1Cc3ccccc23","1730-37-6","Cc1cccc2c1Cc1ccccc1-2","Cc1c2c(ccc1)-c3c(C2)cccc3",{"$nulls":4},180.093900384,"?"]
[2973,"COc1ccc2Nc3cc(Cl)ccc3Sc2c1","1730-44-5","COc1ccc2c(c1)Sc1ccc(Cl)cc1N2","COc1cc2c(cc1)Nc3c(S2)ccc(Cl)c3",{"$nulls":4},263.0171626200002,"?"]
[2974,"CCCCCCCCC(=O)OC","1731-84-6","CCCCCCCCC(=O)OC","CCCCCCCCC(=O)OC",{"$nulls":4},172.14632988,"?"]
[2975,"C1Cc2ccc3CCCc4ccc(C1)c2c34","1732-13-4","c1cc2c3c(ccc4c3c1CCC4)CCC2","c1c2c3c4c(c1)CCCc4ccc3CCC2",{"$nulls":4},208.125200512,"?"]
[2976,"CC(C)c1ccc2c(CC[CH]3[C](C)(CCC[C]23C)C(O)=O)c1","1740-19-8","CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C","CC(C)c1cc2c(cc1)C3(C(CC2)C(C)(C(=O)O)CCC3)C",{"$nulls":4},300.2089301360008,"?"]
[2977,null,"1743-13-1",{"$nulls":7},""]
[2978,"Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl","1746-01-6","Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2","Clc1c(cc2c(c1)Oc3c(O2)cc(Cl)c(Cl)c3)Cl",{"$nulls":4},319.8965400880001,"?"]
[2979,"CON(C)C(=O)Nc1ccc(Cl)cc1","1746-81-2","CON(C)C(=O)Nc1ccc(Cl)cc1","CON(C)C(=O)Nc1ccc(cc1)Cl",{"$nulls":4},214.050905272,"?"]
[2980,"O=C(Nc1ccccc1)c2cccnc2","1752-96-1","O=C(Nc1ccccc1)c1cccnc1","O=C(Nc1ccccc1)c2cnccc2",{"$nulls":4},198.07931294,"?"]
[2981,"Nc1ccc2snnc2c1","1753-29-3","Nc1ccc2snnc2c1","Nc1cc2c(cc1)snn2",{"$nulls":4},151.02041816,"?"]
[2982,"C[CH](NC=NN)C(O)=O","1758-74-3","CC(NC=NN)C(=O)O","CC(NC=NN)C(=O)O",{"$nulls":4},131.069476528,"?"]
[2983,"Oc1ccc(Br)cc1C=O","1761-61-1","O=Cc1cc(Br)ccc1O","O=Cc1c(ccc(c1)Br)O",{"$nulls":4},199.9472915,"?"]
[2984,"[NH4+].[S-]C#N","1762-95-4","N#C[S-]","N#CS","[NH4+]",{"$nulls":3},76.009519128,"Structure has been neutralized"]
[2985,"OCc1ccc(Cl)cc1Cl","1777-82-8","OCc1ccc(Cl)cc1Cl","OCc1c(cc(cc1)Cl)Cl",{"$nulls":4},175.979570172,"?"]
[2986,"O[PH](=O)c1ccccc1","1779-48-2","O=[PH](O)c1ccccc1","O=P(O)c1ccccc1",{"$nulls":4},142.01836609400002,"?"]
[2987,"[O-][N+](=O)CCl","1794-84-9","O=[N+]([O-])CCl","O=[N+]([O-])CCl",{"$nulls":4},94.977405984,"?"]
[2988,"CC(C=NO)=NO","1804-15-5","CC(C=NO)=NO","CC(C=NO)=NO",{"$nulls":4},102.042927432,"?"]
[2989,"OCc1ccc(Cl)c(Cl)c1","1805-32-9","OCc1ccc(Cl)c(Cl)c1","OCc1cc(c(cc1)Cl)Cl",{"$nulls":4},175.979570172,"?"]
[2990,"CCCCOP([O-])OCCCC","1809-19-4","CCCCOP([O-])OCCCC","CCCCOP(O)OCCCC",{"$nulls":4},193.09935606599998,"Structure has been neutralized"]
[2991,"COCCCNc1nc(Cl)nc(NC(C)C)n1","1824-09-5","COCCCNc1nc(Cl)nc(NC(C)C)n1","COCCCNc1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},259.1199878760001,"?"]
[2992,"Clc1cccc2c(Cl)cccc12","1825-30-5","Clc1cccc2c(Cl)cccc12","Clc1c2c(ccc1)c(Cl)ccc2",{"$nulls":4},195.984655552,"?"]
[2993,"Clc1ccc(Cl)c2ccccc12","1825-31-6","Clc1ccc(Cl)c2ccccc12","Clc1c2c(c(cc1)Cl)cccc2",{"$nulls":4},195.984655552,"?"]
[2994,"OC(=O)c1cccc(Cl)c1O","1829-32-9","O=C(O)c1cccc(Cl)c1O","O=C(O)c1c(c(ccc1)Cl)O",{"$nulls":4},171.9927217,"?"]
[2995,null,"1830-32-6",{"$nulls":7},""]
[2996,"[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1","1836-75-5","O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",{"$nulls":4},282.9802984440002,"?"]
[2997,"[O-][N+](=O)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1","1836-77-7","O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2Cl)Cl)Cl",{"$nulls":4},316.94132609200017,"?"]
[2998,"CCCC(O)C(C)CC","1838-73-9","CCCC(O)C(C)CC","CCCC(O)C(C)CC",{"$nulls":4},130.135765196,"?"]
[2999,"Fc1ccc(cc1)C(CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)c5ccc(F)cc5","1841-19-6","O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2","O=C1C2(N(CN1)c3ccccc3)CCN(CC2)CCCC(c4ccc(cc4)F)c5ccc(cc5)F",{"$nulls":4},475.24351905200086,"?"]
[3000,null,"1846-76-0",{"$nulls":7},""]
[3001,"OC(=O)CCCCCCCCCC(O)=O","1852-04-6","O=C(O)CCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCC(=O)O",{"$nulls":4},216.13615912,"?"]
[3002,"COC(=O)c1c(Cl)c(Cl)c(c(Cl)c1Cl)C(=O)OC","1861-32-1","COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl","COC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)OC)Cl)Cl",{"$nulls":4},329.9020193920001,"?"]
[3003,"CCCCN(CC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","1861-40-1","CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},335.1092906520004,"?"]
[3004,"CC(O)COCc1c(Cl)ccc(Cl)c1Cl","1861-44-5","CC(O)COCc1c(Cl)ccc(Cl)c1Cl","CC(O)COCc1c(c(ccc1Cl)Cl)Cl",{"$nulls":4},267.9824626320003,"?"]
[3005,"CNC1(CCCCC1=O)c2ccccc2Cl","1867-66-9","CNC1(c2ccccc2Cl)CCCCC1=O","CNC1(C(CCCC1)=O)c2c(cccc2)Cl",{"$nulls":4},237.092041812,"?"]
[3006,"Cc1cc(O)c(Cc2ccccc2)c(C)c1Cl","1867-85-2","Cc1cc(O)c(Cc2ccccc2)c(C)c1Cl","Cc1c(c(c(c(c1)O)Cc2ccccc2)C)Cl",{"$nulls":4},246.08114278,"?"]
[3007,"OCCNC(=O)C(=O)NCCO","1871-89-2","O=C(NCCO)C(=O)NCCO","O=C(NCCO)C(=O)NCCO",{"$nulls":4},176.079706864,"?"]
[3008,"Nc1ncnc2n(cnc12)C3(CO)OC(CO)C(O)C3O","1874-54-0","Nc1ncnc2c1ncn2C1(CO)OC(CO)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3(C(C(C(O3)CO)O)O)CO",{"$nulls":4},297.10731858000037,"?"]
[3009,"COC(=O)COc1ccccc1","1878-49-5","COC(=O)COc1ccccc1","COC(=O)COc1ccccc1",{"$nulls":4},166.06299418,"?"]
[3010,null,"1878-56-4",{"$nulls":7},""]
[3011,"[O-][N+](=O)OC(=O)COc1ccccc1","1878-87-1","O=C(COc1ccccc1)O[N+](=O)[O-]","O=C(COc1ccccc1)O[N+](=O)[O-]",{"$nulls":4},197.032422324,"?"]
[3012,"CC(C)(C)[S](=O)(=O)C(C)(C)C","1886-75-5","CC(C)(C)S(=O)(=O)C(C)(C)C","CC(C)(C)S(=O)(=O)C(C)(C)C",{"$nulls":4},178.102750816,"?"]
[3013,"ClC(Cl)=C(Cl)C(Cl)(Cl)Cl","1888-71-7","ClC(Cl)=C(Cl)C(Cl)(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)(Cl)Cl",{"$nulls":4},245.81311608,"?"]
[3014,"Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl","1897-45-6","N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl","N#Cc1c(c(c(c(c1Cl)Cl)Cl)C#N)Cl",{"$nulls":4},263.88155872,"?"]
[3015,"Brc1oc(C=O)cc1","1899-24-7","O=Cc1ccc(Br)o1","O=Cc1oc(cc1)Br",{"$nulls":4},173.931641436,"?"]
[3016,"Cc1cccc(c1)[S](N)(=O)=O","1899-94-1","Cc1cccc(S(N)(=O)=O)c1","Cc1cc(ccc1)S(N)(=O)=O",{"$nulls":4},171.035399528,"?"]
[3017,"C1NC=Nc2ccccc12","1904-64-9","C1=Nc2ccccc2CN1","C=1NCc2c(N1)cccc2",{"$nulls":4},132.068748256,"?"]
[3018,"[Cl-].[Cl-].C[n+]1ccc(cc1)c2cc[n+](C)cc2","1910-42-5","C[n+]1ccc(-c2cc[n+](C)cc2)cc1","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","[Cl-]","[Cl-]",null,null,256.053403808,"?"]
[3019,"CCNc1nc(Cl)nc(NC(C)C)n1","1912-24-9","CCNc1nc(Cl)nc(NC(C)C)n1","CCNc1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},215.09377312799998,"?"]
[3020,"CCN(CC)c1nc(Cl)nc(NC(C)C)n1","1912-25-0","CCN(CC)c1nc(Cl)nc(NC(C)C)n1","CCN(CC)c1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},243.12507325599998,"?"]
[3021,"CCNc1nc(Cl)nc(n1)N(CC)CC","1912-26-1","CCNc1nc(Cl)nc(N(CC)CC)n1","CCNc1nc(nc(n1)Cl)N(CC)CC",{"$nulls":4},229.10942319199998,"?"]
[3022,"Cc1oc(cc1)C(O)=O","1917-15-3","Cc1ccc(C(=O)O)o1","Cc1oc(cc1)C(=O)O",{"$nulls":4},126.031694052,"?"]
[3023,"COCc1oc(C=O)cc1","1917-64-2","COCc1ccc(C=O)o1","COCc1oc(cc1)C=O",{"$nulls":4},140.047344116,"?"]
[3024,"COc1c(Cl)ccc(Cl)c1C(O)=O","1918-00-9","COc1c(Cl)ccc(Cl)c1C(=O)O","COc1c(c(ccc1Cl)Cl)C(=O)O",{"$nulls":4},219.969399412,"?"]
[3025,"Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl","1918-02-1","Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl","Nc1c(c(nc(c1Cl)Cl)C(=O)O)Cl",{"$nulls":4},239.926010376,"?"]
[3026,"CCCN(CCC)c1c(cc(C)cc1[N+]([O-])=O)[N+]([O-])=O","1918-08-7","CCCN(CCC)c1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C)[N+](=O)[O-]",{"$nulls":4},281.1375560880005,"?"]
[3027,"CNC(=O)Oc1c(cc(C)cc1C(C)(C)C)C(C)(C)C","1918-11-2","CNC(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C","CNC(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C",{"$nulls":4},277.2041791040006,"?"]
[3028,"NC(=S)c1c(Cl)cccc1Cl","1918-13-4","NC(=S)c1c(Cl)cccc1Cl","NC(=S)c1c(cccc1Cl)Cl",{"$nulls":4},204.95197552,"?"]
[3029,"CC(C)N(C(=O)CCl)c1ccccc1","1918-16-7","CC(C)N(C(=O)CCl)c1ccccc1","CC(C)N(C(=O)CCl)c1ccccc1",{"$nulls":4},211.076391748,"?"]
[3030,"NC(CCO)C(O)=O","1927-25-9","NC(CCO)C(=O)O","NC(CCO)C(=O)O",{"$nulls":4},119.058243148,"?"]
[3031,"Oc1ccc2Nc3ccccc3Sc2c1","1927-44-2","Oc1ccc2c(c1)Sc1ccccc1N2","Oc1cc2c(cc1)Nc3c(S2)cccc3",{"$nulls":4},215.040484908,"?"]
[3032,"COC(=O)COc1ccc(Cl)cc1Cl","1928-38-7","COC(=O)COc1ccc(Cl)cc1Cl","COC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},233.985049476,"?"]
[3033,"CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl","1928-39-8","CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl","CCOC(=O)COc1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},281.9617271880003,"?"]
[3034,"CCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl","1928-44-5","CCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl","CCCCCCCCOC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},332.09459992400065,"?"]
[3035,"CCCOC(=O)COc1ccc(Cl)cc1Cl","1928-61-6","CCCOC(=O)COc1ccc(Cl)cc1Cl","CCCOC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},262.01634960400014,"?"]
[3036,null,"1929-29-9",{"$nulls":7},""]
[3037,null,"1929-73-3",{"$nulls":7},""]
[3038,"CCCSC(=O)N(CCC)CCC","1929-77-7","CCCSC(=O)N(CCC)CCC","CCCSC(=O)N(CCC)CCC",{"$nulls":4},203.134385292,"?"]
[3039,"Clc1cccc(n1)C(Cl)(Cl)Cl","1929-82-4","Clc1cccc(C(Cl)(Cl)Cl)n1","Clc1nc(ccc1)C(Cl)(Cl)Cl",{"$nulls":4},228.901959816,"?"]
[3040,"CNC(=O)Nc1sc2ccccc2n1","1929-88-0","CNC(=O)Nc1nc2ccccc2s1","CNC(=O)Nc1sc2c(n1)cccc2",{"$nulls":4},207.046632908,"?"]
[3041,"C1CCN(CC1)CCN2CCCCC2","1932-04-3","C1CCN(CCN2CCCCC2)CC1","C1CCN(CC1)CCN2CCCCC2",{"$nulls":4},196.19394876799998,"?"]
[3042,"[O-][N+](=O)C(Cl)([N+]([O-])=O)[N+]([O-])=O","1943-16-4","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},184.9475624,"Errors in neutralization"]
[3043,null,"1946-00-5",{"$nulls":7},""]
[3044,"CCCS[S](=O)CCC","1948-52-3","CCCSS(=O)CCC","CCCSS(=O)CCC",{"$nulls":4},166.048607068,"?"]
[3045,"COc1c(cccc1C(O)=O)C(O)=O","1951-38-8","COc1c(C(=O)O)cccc1C(=O)O","COc1c(cccc1C(=O)O)C(=O)O",{"$nulls":4},196.037173356,"?"]
[3046,"CCC(=O)Oc1ccc(cc1)[N+]([O-])=O","1956-06-5","CCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},195.053157768,"?"]
[3047,"CCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O","1956-07-6","CCCCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},223.084457896,"?"]
[3048,null,"1962-75-0",{"$nulls":7},""]
[3049,"CC(C)[CH](NC(=O)CN)C(O)=O","1963-21-9","CC(C)C(NC(=O)CN)C(=O)O","CC(C)C(NC(=O)CN)C(=O)O",{"$nulls":4},174.100442308,"?"]
[3050,"OCCNC(=O)CCCCC(=O)NCCO","1964-73-4","O=C(CCCCC(=O)NCCO)NCCO","O=C(CCCCC(=O)NCCO)NCCO",{"$nulls":4},232.14230712,"?"]
[3051,"CNC(=O)OCc1ccc(Cl)c(Cl)c1","1966-58-1","CNC(=O)OCc1ccc(Cl)c(Cl)c1","CNC(=O)OCc1cc(c(cc1)Cl)Cl",{"$nulls":4},233.001033888,"?"]
[3052,"CC(OC(=O)Nc1cccc(Cl)c1)C#C","1967-16-4","C#CC(C)OC(=O)Nc1cccc(Cl)c1","C#CC(C)OC(=O)Nc1cc(ccc1)Cl",{"$nulls":4},223.04000624,"?"]
[3053,null,"1967-25-5",{"$nulls":7},""]
[3054,null,"1972-03-8",{"$nulls":7},""]
[3055,"CCc1ccccc1Br","1973-22-4","CCc1ccccc1Br","CCc1c(cccc1)Br",{"$nulls":4},183.988762388,"?"]
[3056,"CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1","1982-47-4","CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1","CN(C)C(=O)Nc1ccc(cc1)Oc2ccc(cc2)Cl",{"$nulls":4},290.0822054000004,"?"]
[3057,"CC1CCCCC1NC(=O)Nc2ccccc2","1982-49-6","CC1CCCCC1NC(=O)Nc1ccccc1","CC1C(CCCC1)NC(=O)Nc2ccccc2",{"$nulls":4},232.15756326,"?"]
[3058,"[F]|[Sn](CCCC)(CCCC)CCCC","1983-10-4",{"$nulls":7},""]
[3059,"COc1cccc(Cl)c1Cl","1984-59-4","COc1cccc(Cl)c1Cl","COc1c(c(ccc1)Cl)Cl",{"$nulls":4},175.979570172,"?"]
[3060,"COc1c(Cl)cccc1Cl","1984-65-2","COc1c(Cl)cccc1Cl","COc1c(cccc1Cl)Cl",{"$nulls":4},175.979570172,"?"]
[3061,"NC(=O)NC(O)C(Cl)(Cl)Cl","2000-40-0","NC(=O)NC(O)C(Cl)(Cl)Cl","NC(=O)NC(O)C(Cl)(Cl)Cl",{"$nulls":4},205.94166044,"?"]
[3062,"NC(=O)C=Cc1ccccc1[N+]([O-])=O","2001-33-4","NC(=O)C=Cc1ccccc1[N+](=O)[O-]","NC(=O)C=Cc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},192.053492116,"?"]
[3063,"Cc1[nH]cnc2ncnc12","2004-03-7","Cc1[nH]cnc2ncnc1-2","Cc1c2-c(nc[nH]1)ncn2",{"$nulls":4},134.059246192,"?"]
[3064,"CCSC(=O)N(CC(C)C)CC(C)C","2008-41-5","CCSC(=O)N(CC(C)C)CC(C)C","CCSC(=O)N(CC(C)C)CC(C)C",{"$nulls":4},217.150035356,"?"]
[3065,"NC(=O)c1c(Cl)cccc1Cl","2008-58-4","NC(=O)c1c(Cl)cccc1Cl","NC(=O)c1c(cccc1Cl)Cl",{"$nulls":4},188.97481914,"?"]
[3066,"O=C1CNC(=S)N1c2ccccc2","2010-15-3","O=C1CNC(=S)N1c1ccccc1","O=C1N(C(NC1)=S)c2ccccc2",{"$nulls":4},192.035733876,"?"]
[3067,"CCCCCCCCCCN","2016-57-1","CCCCCCCCCCN","CCCCCCCCCCN",{"$nulls":4},157.183049736,"?"]
[3068,null,"2021-28-5",{"$nulls":7},""]
[3069,"NC1=C(F)C=NC(=O)N1","2022-85-7","Nc1[nH]c(=O)ncc1F","Nc1c(cnc([nH]1)=O)F",{"$nulls":4},129.033839968,"?"]
[3070,"CNC(=O)Oc1ccc(N(C)C)c(C)c1","2032-59-9","CNC(=O)Oc1ccc(N(C)C)c(C)c1","CNC(=O)Oc1cc(c(cc1)N(C)C)C",{"$nulls":4},208.121177752,"?"]
[3071,"CNC(=O)Oc1cc(C)c(SC)c(C)c1","2032-65-7","CNC(=O)Oc1cc(C)c(SC)c(C)c1","CNC(=O)Oc1cc(c(c(c1)C)SC)C",{"$nulls":4},225.08234972,"?"]
[3072,"CCCC1CCCC1","2040-96-2","CCCC1CCCC1","CCCC1CCCC1",{"$nulls":4},112.12520051199999,"?"]
[3073,"CC(O)C(N)=O","2043-43-8","CC(O)C(N)=O","CC(O)C(N)=O",{"$nulls":4},89.047678464,"?"]
[3074,"CNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O","2044-88-4","CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","CNc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},197.043655704,"?"]
[3075,"CCC(C)(C)c1ccccc1","2049-95-8","CCC(C)(C)c1ccccc1","CCC(C)(C)c1ccccc1",{"$nulls":4},148.125200512,"?"]
[3076,"CCOC(=O)CCCCCC(=O)OCC","2050-20-6","CCOC(=O)CCCCCC(=O)OCC","CCOC(=O)CCCCCC(=O)OCC",{"$nulls":4},216.13615912,"?"]
[3077,"CCOC(=O)CCCCCCC(=O)OCC","2050-23-9","CCOC(=O)CCCCCCC(=O)OCC","CCOC(=O)CCCCCCC(=O)OCC",{"$nulls":4},230.151809184,"?"]
[3078,"Clc1cccc(c1)c2cccc(Cl)c2","2050-67-1","Clc1cccc(-c2cccc(Cl)c2)c1","Clc1cc(ccc1)-c2cc(ccc2)Cl",{"$nulls":4},222.000305616,"?"]
[3079,"Clc1ccc(cc1)c2ccc(Cl)cc2","2050-68-2","Clc1ccc(-c2ccc(Cl)cc2)cc1","Clc1ccc(cc1)-c2ccc(cc2)Cl",{"$nulls":4},222.000305616,"?"]
[3080,"Clc1ccc2ccccc2c1Cl","2050-69-3","Clc1ccc2ccccc2c1Cl","Clc1c(c2c(cc1)cccc2)Cl",{"$nulls":4},195.984655552,"?"]
[3081,"Clc1cccc2cccc(Cl)c12","2050-74-0","Clc1cccc2cccc(Cl)c12","Clc1c2c(ccc1)cccc2Cl",{"$nulls":4},195.984655552,"?"]
[3082,"Clc1cc2ccccc2cc1Cl","2050-75-1","Clc1cc2ccccc2cc1Cl","Clc1c(cc2c(c1)cccc2)Cl",{"$nulls":4},195.984655552,"?"]
[3083,"Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","2051-24-3","Clc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},493.6885268,"?"]
[3084,"Clc1ccccc1c2ccccc2","2051-60-7","Clc1ccccc1-c1ccccc1","Clc1c(cccc1)-c2ccccc2",{"$nulls":4},188.039277968,"?"]
[3085,"Clc1cccc(c1)c2ccccc2","2051-61-8","Clc1cccc(-c2ccccc2)c1","Clc1cc(ccc1)-c2ccccc2",{"$nulls":4},188.039277968,"?"]
[3086,"Clc1ccc(cc1)c2ccccc2","2051-62-9","Clc1ccc(-c2ccccc2)cc1","Clc1ccc(cc1)-c2ccccc2",{"$nulls":4},188.039277968,"?"]
[3087,"Oc1ccc(N=Nc2ccccc2)c(O)c1","2051-85-6","Oc1ccc(N=Nc2ccccc2)c(O)c1","Oc1cc(c(cc1)N=Nc2ccccc2)O",{"$nulls":4},214.07422756,"?"]
[3088,"Clc1ccc2cc(Cl)ccc2c1","2065-70-5","Clc1ccc2cc(Cl)ccc2c1","Clc1cc2c(cc1)cc(Cl)cc2",{"$nulls":4},195.984655552,"?"]
[3089,"COC(C)C(N)C(O)=O","2076-53-1","COC(C)C(N)C(=O)O","COC(C)C(N)C(=O)O",{"$nulls":4},133.073893212,"?"]
[3090,"COC(C)C(N)C(O)=O","2076-57-5","COC(C)C(N)C(=O)O","COC(C)C(N)C(=O)O",{"$nulls":4},133.073893212,"?"]
[3091,"CC(C)CC(c1ccc(O)cc1)c2ccc(O)cc2","2081-32-5","CC(C)CC(c1ccc(O)cc1)c1ccc(O)cc1","CC(C)CC(c1ccc(cc1)O)c2ccc(cc2)O",{"$nulls":4},256.14632988,"?"]
[3092,"OC(=O)Cc1cccc(c1)C(O)=O","2084-13-1","O=C(O)Cc1cccc(C(=O)O)c1","O=C(O)Cc1cc(ccc1)C(=O)O",{"$nulls":4},180.042258736,"?"]
[3093,"CCCCC(CC)(C(O)=O)C(O)=O","2085-15-6","CCCCC(CC)(C(=O)O)C(=O)O","CCCCC(CC)(C(=O)O)C(=O)O",{"$nulls":4},188.104858992,"?"]
[3094,"CC(C(O)=O)C(C)(C)C(O)=O","2103-16-4","CC(C(=O)O)C(C)(C)C(=O)O","CC(C(=O)O)C(C)(C)C(=O)O",{"$nulls":4},160.073558864,"?"]
[3095,"CCC(C(O)=O)C(C)(C)C(O)=O","2103-31-3","CCC(C(=O)O)C(C)(C)C(=O)O","CCC(C(=O)O)C(C)(C)C(=O)O",{"$nulls":4},174.089208928,"?"]
[3096,"CCO[P](=S)(Oc1ccc(cc1)[N+]([O-])=O)c2ccccc2","2104-64-5","CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1","CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2",{"$nulls":4},323.0381155580004,"?"]
[3097,"CO[P](=S)(OC)Oc1cc(Cl)c(Br)cc1Cl","2104-96-3","COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Br)Cl",{"$nulls":4},363.8492192060002,"?"]
[3098,"CC1=CC(=O)Oc2c1ccc3ccccc23","2107-75-7","Cc1cc(=O)oc2c1ccc1ccccc12","Cc1c2c(oc(c1)=O)c3c(cc2)cccc3",{"$nulls":4},210.06807956,"?"]
[3099,"CC(CC(C)C(O)=O)C(O)=O","2121-67-7","CC(CC(C)C(=O)O)C(=O)O","CC(CC(C)C(=O)O)C(=O)O",{"$nulls":4},160.073558864,"?"]
[3100,"N[S](=O)(=O)c1cc2c(CN(C3CCCCC3)C2=O)cc1Cl","2127-01-7","NS(=O)(=O)c1cc2c(cc1Cl)CN(C1CCCCC1)C2=O","NS(=O)(=O)c1c(cc2c(c1)C(N(C2)C3CCCCC3)=O)Cl",{"$nulls":4},328.0648410840005,"?"]
[3101,"Cc1ccc(C)c2c(C)cccc12","2131-41-1","Cc1ccc(C)c2c(C)cccc12","Cc1c2c(c(cc1)C)c(C)ccc2",{"$nulls":4},170.109550448,"?"]
[3102,"Brc1cccc(c1)N=C=S","2131-59-1","S=C=Nc1cccc(Br)c1","S=C=Nc1cc(ccc1)Br",{"$nulls":4},212.924782228,"?"]
[3103,"C[CH]1C[CH]2[CH]3C[CH](F)C4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]2(C)[C]1(O)C(=O)CO","2135-17-3","CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",{"$nulls":4},410.1904804360007,"?"]
[3104,"Clc1cc(Cl)c(Cl)c(c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl","2136-99-4","Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[3105,"Oc1ccc(C2CCCCC2)c(O)c1","2138-20-7","Oc1ccc(C2CCCCC2)c(O)c1","Oc1cc(c(cc1)C2CCCCC2)O",{"$nulls":4},192.115029752,"?"]
[3106,null,"2152-44-5",{"$nulls":7},""]
[3107,"OCC1C(CO)[C]2(Cl)C(=C(Cl)[C]1(Cl)C2(Cl)Cl)Cl","2157-19-9","OCC1C(CO)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl","OCC1C2(C(=C(C(C1CO)(C2(Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8655455760002,"?"]
[3108,"OC(=O)c1cc(Cl)cc(c1)C(O)=O","2157-39-3","O=C(O)c1cc(Cl)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)Cl)C(=O)O",{"$nulls":4},199.98763632,"?"]
[3109,"OC(=O)c1ccccc1C(=O)c2ccc(Br)cc2","2159-40-2","O=C(O)c1ccccc1C(=O)c1ccc(Br)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Br",{"$nulls":4},303.97350624800026,"?"]
[3110,"CCNc1nc(O)nc(NC(C)C)n1","2163-68-0","CCNc1nc(O)nc(NC(C)C)n1","CCNc1nc(nc(n1)O)NC(C)C",{"$nulls":4},197.12766009999999,"?"]
[3111,"CN(C)C(=O)NC1CCCCCCC1","2163-69-1","CN(C)C(=O)NC1CCCCCCC1","CN(C)C(=O)NC1CCCCCCC1",{"$nulls":4},198.173213324,"?"]
[3112,"[Na+].C[As](O)([O-])=O","2163-80-6","C[As](=O)([O-])O","C[As](=O)(O)O","[Na+]",{"$nulls":3},161.927409768,"Structure has been neutralized"]
[3113,"O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3","2164-08-1","O=c1[nH]c2c(c(=O)n1C1CCCCC1)CCC2","O=c1n(c(c2c([nH]1)CCC2)=O)C3CCCCC3",{"$nulls":4},234.136827816,"?"]
[3114,"CC(=C)C(=O)Nc1ccc(Cl)c(Cl)c1","2164-09-2","C=C(C)C(=O)Nc1ccc(Cl)c(Cl)c1","C=C(C)C(=O)Nc1cc(c(cc1)Cl)Cl",{"$nulls":4},229.006119268,"?"]
[3115,"BCPC","2164-13-8","BCPC","BCPC","BCPC",{"$nulls":3},148.091334572,"?"]
[3116,"CN(C)C(=O)Nc1cccc(c1)C(F)(F)F","2164-17-2","CN(C)C(=O)Nc1cccc(C(F)(F)F)c1","CN(C)C(=O)Nc1cc(ccc1)C(F)(F)F",{"$nulls":4},232.082347632,"?"]
[3117,"OC(=O)CC[Se]CCC(O)=O","2168-88-9","O=C(O)CC[Se]CCC(=O)O","O=C(O)CC[Se]CCC(=O)O",{"$nulls":4},225.9744301,"?"]
[3118,"CC(C)COc1ccc2ccccc2c1","2173-57-1","CC(C)COc1ccc2ccccc2c1","CC(C)COc1cc2c(cc1)cccc2",{"$nulls":4},200.120115132,"?"]
[3119,"CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C","2180-92-9","CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C","CCCCN1C(CCCC1)C(=O)Nc2c(cccc2C)C",{"$nulls":4},288.22016351600075,"?"]
[3120,null,"2181-22-8",{"$nulls":7},""]
[3121,"CCCCCCCCc1ccccc1","2189-60-8","CCCCCCCCc1ccccc1","CCCCCCCCc1ccccc1",{"$nulls":4},190.172150704,"?"]
[3122,"Clc1ccc2ccc(Cl)cc2c1","2198-77-8","Clc1ccc2ccc(Cl)cc2c1","Clc1cc2c(cc1)ccc(Cl)c2",{"$nulls":4},195.984655552,"?"]
[3123,null,"2199-44-2",{"$nulls":7},""]
[3124,"COc1ccc(cc1C(O)=O)C(O)=O","2206-43-1","COc1ccc(C(=O)O)cc1C(=O)O","COc1c(cc(cc1)C(=O)O)C(=O)O",{"$nulls":4},196.037173356,"?"]
[3125,"C[CH]1CCCC[CH]1C","2207-01-4","CC1CCCCC1C","CC1C(CCCC1)C",{"$nulls":4},112.12520051199999,"?"]
[3126,"CC1CCC(C)CC1","2207-04-7","CC1CCC(C)CC1","CC1CCC(CC1)C",{"$nulls":4},112.12520051199999,"?"]
[3127,null,"2211-67-8",{"$nulls":7},""]
[3128,"CCSC(=O)N1CCCCCC1","2212-67-1","CCSC(=O)N1CCCCCC1","CCSC(=O)N1CCCCCC1",{"$nulls":4},187.103085164,"?"]
[3129,"OC(=O)c1cccc2cccc(c12)[N+]([O-])=O","2216-13-9","O=C(O)c1cccc2cccc([N+](=O)[O-])c12","O=C(O)c1c2c(ccc1)cccc2[N+](=O)[O-]",{"$nulls":4},217.037507704,"?"]
[3130,"CCCCC(C)CCC","2216-34-4","CCCCC(C)CCC","CCCCC(C)CCC",{"$nulls":4},128.15650064,"?"]
[3131,null,"2216-51-5",{"$nulls":7},""]
[3132,"COc1cccc2ccccc12","2216-69-5","COc1cccc2ccccc12","COc1c2c(ccc1)cccc2",{"$nulls":4},158.07316494,"?"]
[3133,null,"2217-02-9",{"$nulls":7},""]
[3134,null,"2217-08-5",{"$nulls":7},""]
[3135,"OCC1CCCO1.OC(=O)c2ccccc2","2217-32-5","O=C(O)c1ccccc1","O=C(O)c1ccccc1","OCC1CCCO1",{"$nulls":3},224.104858992,"?"]
[3136,"CCC(CC)([S](=O)(=O)CC)[S](=O)(=O)CC","2217-59-6","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC",{"$nulls":4},256.08030112,"?"]
[3137,"Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1","2227-13-6","Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1","Clc1ccc(cc1)Sc2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},321.89443191200013,"?"]
[3138,"ClC1=C(Cl)C(Cl)(C(=C1Cl)Cl)C2(Cl)C(=C(Cl)C(=C2Cl)Cl)Cl","2227-17-0","ClC1=C(Cl)C(Cl)(C2(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl)C(Cl)=C1Cl","ClC=1C(=C(C(C1Cl)(Cl)C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},469.6885268,"?"]
[3139,"ON=C1CCCC=C1","2229-00-7","ON=C1C=CCCC1","ON=C1CCCC=C1",{"$nulls":4},111.068413908,"?"]
[3140,"Clc1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl","2234-13-1","Clc1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl","Clc1c(c2c(c(c1Cl)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl",{"$nulls":4},399.75082144,"?"]
[3141,"CCC(N)Cc1c[nH]c2ccccc12","2235-90-7","CCC(N)Cc1c[nH]c2ccccc12","CCC(N)Cc1c2c([nH]c1)cccc2",{"$nulls":4},188.131348512,"?"]
[3142,"Nc1cccc(c1)C#N","2237-30-1","N#Cc1cccc(N)c1","N#Cc1cc(ccc1)N",{"$nulls":4},118.053098192,"?"]
[3143,"CCCCCCCCC#N","2243-27-8","CCCCCCCCC#N","CCCCCCCCC#N",{"$nulls":4},139.136099544,"?"]
[3144,"Nc1cccc2c(N)cccc12","2243-62-1","Nc1cccc2c(N)cccc12","Nc1c2c(ccc1)c(N)ccc2",{"$nulls":4},158.08439832,"?"]
[3145,"[O-][N+](=O)c1ccc(c2c1cccc2[N+]([O-])=O)[N+]([O-])=O","2243-95-0","O=[N+]([O-])c1ccc([N+](=O)[O-])c2c([N+](=O)[O-])cccc12","O=[N+]([O-])c1c2c(c(cc1)[N+](=O)[O-])c([N+](=O)[O-])ccc2",{"$nulls":4},263.0178348800001,"?"]
[3146,null,"2244-16-8",{"$nulls":7},""]
[3147,"CCc1ccccc1N=C=S","2257-09-2","CCc1ccccc1N=C=S","CCc1c(cccc1)N=C=S",{"$nulls":4},163.045570288,"?"]
[3148,"OC(=O)C(Cl)=C(Cl)Cl","2257-35-4","O=C(O)C(Cl)=C(Cl)Cl","O=C(O)C(Cl)=C(Cl)Cl",{"$nulls":4},173.904212312,"?"]
[3149,"FC(F)(F)c1nc2c[nH]cnc2n1","2268-12-4","FC(F)(F)c1nc2c[nH]cnc-2n1","FC(F)(F)c1nc2-c(n1)c[nH]cn2",{"$nulls":4},188.030980756,"?"]
[3150,"OC(=O)CCCCc1ccccc1","2270-20-4","O=C(O)CCCCc1ccccc1","O=C(O)CCCCc1ccccc1",{"$nulls":4},178.099379688,"?"]
[3151,"Cn1cnc2nc(Cl)nc(Cl)c12","2273-93-0","Cn1cnc2nc(Cl)nc(Cl)c21","Cn1c2c(nc1)nc(Cl)nc2Cl",{"$nulls":4},201.98130148799999,"?"]
[3152,null,"2274-67-1",{"$nulls":7},""]
[3153,"CCO[P](=S)(OCC)SCC(=O)NC(C)C","2275-18-5","CCOP(=S)(OCC)SCC(=O)NC(C)C","CCOP(=S)(OCC)SCC(=O)NC(C)C",{"$nulls":4},285.0622221300006,"?"]
[3154,"CNC(=O)C(C)SCCS[P](=O)(OC)OC","2275-23-2","CNC(=O)C(C)SCCSP(=O)(OC)OC","CNC(=O)C(C)SCCSP(=O)(OC)OC",{"$nulls":4},287.0414866860005,"?"]
[3155,"CCc1ccnc(N[S](=O)(=O)c2ccc(N)cc2)n1","2276-96-2","CCc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","CCc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},278.0837466880004,"?"]
[3156,"CC[Hg]C#N","2279-63-2","CC[Hg]C#N","CC[Hg]C#N",{"$nulls":4},257.01284216000005,"?"]
[3157,"OC(=O)c1c(O)ccc2ccccc12","2283-08-1","O=C(O)c1c(O)ccc2ccccc12","O=C(O)c1c2c(ccc1O)cccc2",{"$nulls":4},188.047344116,"?"]
[3158,"OC(=O)C1=Cc2ccccc2C(=O)O1","2289-03-4","O=C(O)c1cc2ccccc2c(=O)o1","O=C(O)c1oc(c2c(c1)cccc2)=O",{"$nulls":4},190.026608672,"?"]
[3159,"CC(C)N(C(C)C)C(=O)SCC(Cl)=CCl","2303-16-4","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C",{"$nulls":4},269.04079052400033,"?"]
[3160,"CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl","2303-17-5","CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C","CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C",{"$nulls":4},303.0018181720004,"?"]
[3161,null,"2303-25-5",{"$nulls":7},""]
[3162,"OC(=O)[CH]1CCCC[CH]1C(O)=O","2305-32-0","O=C(O)C1CCCCC1C(=O)O","O=C(O)C1C(CCCC1)C(=O)O",{"$nulls":4},172.073558864,"?"]
[3163,"CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1","2307-68-8","CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1","CCCC(C)C(=O)Nc1cc(c(cc1)C)Cl",{"$nulls":4},239.107691876,"?"]
[3164,"O=C1NC=C2N=CN=C2N1","2308-57-8","O=c1[nH]cc2ncnc-2[nH]1","O=c1[nH]c2-c(c[nH]1)ncn2",{"$nulls":4},136.038510748,"?"]
[3165,null,"2309-49-1",{"$nulls":7},""]
[3166,"CCO[P](=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12","2310-17-0","CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2",{"$nulls":4},366.9868642700004,"?"]
[3167,"CC(C)(C)c1ccc(OC2CCCCC2O[S](=O)OCC#C)cc1","2312-35-8","C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1","C#CCOS(=O)OC1C(CCCC1)Oc2ccc(cc2)C(C)(C)C",{"$nulls":4},350.1551803120007,"?"]
[3168,"CCCCOC(=O)C1(O)c2ccccc2c3ccccc13","2314-09-2","CCCCOC(=O)C1(O)c2ccccc2-c2ccccc21","CCCCOC(=O)C1(c2c(-c3c1cccc3)cccc2)O",{"$nulls":4},282.1255944360005,"?"]
[3169,"CCN(CC)C(=O)CCl","2315-36-8","CCN(CC)C(=O)CCl","CCN(CC)C(=O)CCl",{"$nulls":4},149.060741684,"?"]
[3170,"CCCOC(=O)c1ccccc1","2315-68-6","CCCOC(=O)c1ccccc1","CCCOC(=O)c1ccccc1",{"$nulls":4},164.083729624,"?"]
[3171,"OCc1cc(Br)ccc1O","2316-64-5","OCc1cc(Br)ccc1O","OCc1c(ccc(c1)Br)O",{"$nulls":4},201.962941564,"?"]
[3172,"CC(C)C(CC(O)=O)C(O)=O","2338-45-6","CC(C)C(CC(=O)O)C(=O)O","CC(C)C(CC(=O)O)C(=O)O",{"$nulls":4},160.073558864,"?"]
[3173,"CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC","2350-32-5","CCCCOc1ccc(C(=O)OCCN(CC)CC)cc1","CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC",{"$nulls":4},293.19909372400076,"?"]
[3174,"NNC(=O)c1sccc1","2361-27-5","NNC(=O)c1cccs1","NNC(=O)c1sccc1",{"$nulls":4},142.020083812,"?"]
[3175,"CCOC(=O)[CH](Cc1ccccc1)NC(C)=O","2361-96-8","CCOC(=O)C(Cc1ccccc1)NC(C)=O","CCOC(=O)C(Cc1ccccc1)NC(C)=O",{"$nulls":4},235.120843404,"?"]
[3176,"CC12CCC3C(CCC4CC5SC5CC34C)C1CCC2O","2363-58-8","CC12CCC3C(CCC4CC5SC5CC43C)C1CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC5C(S5)C4)C)CCC2O",{"$nulls":4},306.20173658000084,"?"]
[3177,"Fc1cc(F)c(F)c(F)c1","2367-82-0","Fc1cc(F)c(F)c(F)c1","Fc1cc(c(c(c1)F)F)F",{"$nulls":4},150.009262944,"?"]
[3178,"CCCC(C)(C)CO","2370-12-9","CCCC(C)(C)CO","CCCC(C)(C)CO",{"$nulls":4},116.120115132,"?"]
[3179,"CC1=CC(=O)Oc2ccc(O)cc12","2373-31-1","Cc1cc(=O)oc2ccc(O)cc12","Cc1c2c(oc(c1)=O)ccc(O)c2",{"$nulls":4},176.047344116,"?"]
[3180,"OC(=O)C=Cc1ccc2OCOc2c1","2373-80-0","O=C(O)C=Cc1ccc2c(c1)OCO2","O=C(O)C=Cc1cc2c(cc1)OCO2",{"$nulls":4},192.042258736,"?"]
[3181,"CCC1(CC=C)C(=O)NC(=O)NC1=O","2373-84-4","C=CCC1(CC)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CC",{"$nulls":4},196.084792244,"?"]
[3182,"Cc1ccc2cc3ccc4ccccc4c3cc2c1","2381-15-9","Cc1ccc2cc3ccc4ccccc4c3cc2c1","Cc1cc2c(cc1)cc3c(c4c(cc3)cccc4)c2",{"$nulls":4},242.109550448,"?"]
[3183,"Cc1ccc2cc3c(ccc4ccccc34)cc2c1","2381-16-0","Cc1ccc2cc3c(ccc4ccccc43)cc2c1","Cc1cc2c(cc1)cc3c4c(ccc3c2)cccc4",{"$nulls":4},242.109550448,"?"]
[3184,"Cc1c2ccccc2c3ccc4cccc5ccc1c3c45","2381-39-7","Cc1c2ccccc2c2ccc3cccc4ccc1c2c43","Cc1c2ccc3cccc4ccc(c5c1cccc5)c2c43",{"$nulls":4},266.1095504480003,"?"]
[3185,null,"2382-80-1",{"$nulls":7},""]
[3186,"S=C1Nc2ccccc2O1","2382-96-9","S=c1[nH]c2ccccc2o1","S=c1oc2c([nH]1)cccc2",{"$nulls":4},151.00918478,"?"]
[3187,null,"2385-74-2",{"$nulls":7},""]
[3188,"ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","2385-85-5","ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","ClC1(C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},539.62623216,"?"]
[3189,"Clc1cccc(c1)N=C=S","2392-68-9","S=C=Nc1cccc(Cl)c1","S=C=Nc1cc(ccc1)Cl",{"$nulls":4},168.975297808,"?"]
[3190,"C=CCCCC=C","2396-63-6","C=CCCCC=C","C=CCCCC=C",{"$nulls":4},96.093900384,"?"]
[3191,"C#CCCCCCC#C","2396-65-8","C#CCCCCCC#C","C#CCCCCCC#C",{"$nulls":4},120.093900384,"?"]
[3192,"OC(=O)C1=C[NH++]([O-])[CH-]C=C1","2398-81-4","O=C(O)C1=C[NH+2]([O-])[CH-]C=C1","O=C(O)C1=C[NH+2]([O-])[CH-]C=C1",{"$nulls":4},140.034768052,"Errors in neutralization"]
[3193,"CCCCO[P](=O)(CC)OCCCC","2404-58-2","CCCCOP(=O)(CC)OCCCC","CCCCOP(=O)(CC)OCCCC",{"$nulls":4},222.138481226,"?"]
[3194,"CCCCO[P](C)(=O)OCCCC","2404-73-1","CCCCOP(C)(=O)OCCCC","CCCCOP(C)(=O)OCCCC",{"$nulls":4},208.12283116199998,"?"]
[3195,"Cc1ccc(C)c(O)c1C","2416-94-6","Cc1ccc(C)c(O)c1C","Cc1c(c(c(cc1)C)O)C",{"$nulls":4},136.088815004,"?"]
[3196,"Oc1ccccc1Oc2ccccc2","2417-10-9","Oc1ccccc1Oc1ccccc1","Oc1c(cccc1)Oc2ccccc2",{"$nulls":4},186.06807956,"?"]
[3197,"CCC(O)CN(CC(O)CC)CC(O)CC","2421-02-5","CCC(O)CN(CC(O)CC)CC(O)CC","CCC(O)CN(CC(O)CC)CC(O)CC",{"$nulls":4},233.199093724,"?"]
[3198,"Cc1c2ccccc2cc3ccc4ccccc4c13","2422-79-9","Cc1c2ccccc2cc2ccc3ccccc3c12","Cc1c2c(cc3c1cccc3)ccc4c2cccc4",{"$nulls":4},242.109550448,"?"]
[3199,"ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O","2425-06-1","O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)C(Cl)Cl",{"$nulls":4},346.91081024800025,"?"]
[3200,null,"2425-10-7",{"$nulls":7},""]
[3201,null,"2426-08-6",{"$nulls":7},""]
[3202,"CC(C)CCCCCCO","2430-22-0","CC(C)CCCCCCO","CC(C)CCCCCCO",{"$nulls":4},144.15141526,"?"]
[3203,"Cc1cc(Cl)c(O)c(Cl)c1","2432-12-4","Cc1cc(Cl)c(O)c(Cl)c1","Cc1cc(c(c(c1)Cl)O)Cl",{"$nulls":4},175.979570172,"?"]
[3204,"Cc1ncc2nccnc2n1","2432-20-4","Cc1ncc2nccnc2n1","Cc1nc2c(cn1)nccn2",{"$nulls":4},146.059246192,"?"]
[3205,"Cc1ncnc2nccnc12","2432-21-5","Cc1ncnc2nccnc12","Cc1c2c(ncn1)nccn2",{"$nulls":4},146.059246192,"?"]
[3206,"NCCCCCCCCCCC(O)=O","2432-99-7","NCCCCCCCCCCC(=O)O","NCCCCCCCCCCC(=O)O",{"$nulls":4},201.172878976,"?"]
[3207,"Clc1ccc(c(Cl)c1)c2ccc(Cl)cc2Cl","2437-79-8","Clc1ccc(-c2ccc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[3208,"Cc1ccc2nc3SC(=O)Sc3nc2c1","2439-01-2","Cc1ccc2nc3sc(=O)sc3nc2c1","Cc1cc2c(cc1)nc3c(sc(s3)=O)n2",{"$nulls":4},233.992154812,"?"]
[3209,"CCCCCCCCCCCCN=C(N)N.CC(O)=O","2439-10-3","CCCCCCCCCCCCN=C(N)N","CCCCCCCCCCCCN=C(N)N","CC(O)=O",{"$nulls":3},287.257277296,"?"]
[3210,"COc1ccccc1C(N)=O","2439-77-2","COc1ccccc1C(N)=O","COc1c(cccc1)C(N)=O",{"$nulls":4},151.063328528,"?"]
[3211,"OC(=O)CN(C[P](O)(O)=O)C[P](O)(O)=O","2439-99-8","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O",{"$nulls":4},262.99598957200016,"?"]
[3212,"Nc1ccc(CC(=O)c2ccccc2)cc1","2440-20-2","Nc1ccc(CC(=O)c2ccccc2)cc1","Nc1ccc(cc1)CC(=O)c2ccccc2",{"$nulls":4},211.099714036,"?"]
[3213,"Clc1ccc(Oc2ccc(Cl)cc2)cc1","2444-89-5","Clc1ccc(Oc2ccc(Cl)cc2)cc1","Clc1ccc(cc1)Oc2ccc(cc2)Cl",{"$nulls":4},237.995220236,"?"]
[3214,null,"2451-01-6",{"$nulls":7},""]
[3215,"CO[P](=S)(OC)Oc1ccc(cc1Cl)[N+]([O-])=O","2463-84-5","COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1Cl","COP(=S)(OC)Oc1c(cc(cc1)[N+](=O)[O-])Cl",{"$nulls":4},296.9627576980002,"?"]
[3216,null,"2464-37-1",{"$nulls":7},""]
[3217,"Nc1ccc(N)c2C(=O)c3c(N)ccc(N)c3C(=O)c12","2475-45-8","Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C2=O","Nc1c2c(c(cc1)N)C(c3c(C2=O)c(N)ccc3N)=O",{"$nulls":4},268.09602562400033,"?"]
[3218,"O[S](=O)(=O)c1ccc(cc1)N=Nc2ccccc2","2484-88-0","O=S(=O)(O)c1ccc(N=Nc2ccccc2)cc1","O=S(=O)(O)c1ccc(cc1)N=Nc2ccccc2",{"$nulls":4},262.04121318000017,"?"]
[3219,"CC(=O)Oc1c(cc(c(C)c1C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O","2487-01-6","CC(=O)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c1C(C)(C)C","CC(=O)Oc1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])C)C(C)(C)C",{"$nulls":4},296.1008362320004,"?"]
[3220,"OC(=O)CNC=O","2491-15-8","O=CNCC(=O)O","O=CNCC(=O)O",{"$nulls":4},103.02694302,"?"]
[3221,"Oc1ccc(cc1)C(=O)Cc2ccccc2","2491-32-9","O=C(Cc1ccccc1)c1ccc(O)cc1","O=C(Cc1ccccc1)c2ccc(cc2)O",{"$nulls":4},212.083729624,"?"]
[3222,"CCO[P](=S)(OCC)SCC[S](=O)(=O)CC","2497-06-5","CCOP(=S)(OCC)SCCS(=O)(=O)CC","CCOP(=S)(OCC)SCCS(=O)(=O)CC",{"$nulls":4},306.0183087180005,"?"]
[3223,"CCO[P](=S)(OCC)SCC[S](=O)CC","2497-07-6","CCOP(=S)(OCC)SCCS(=O)CC","CCOP(=S)(OCC)SCCS(=O)CC",{"$nulls":4},290.0233940980005,"?"]
[3224,"Cc1c2ccccc2cc3c1cc(F)c4ccccc34","2498-63-7","Cc1c2ccccc2cc2c1cc(F)c1ccccc12","Cc1c2c(cc3c1cccc3)c4c(c(c2)F)cccc4",{"$nulls":4},260.10012863600014,"?"]
[3225,"Cc1cccc2ccc3cc4ccccc4cc3c12","2498-77-3","Cc1cccc2ccc3cc4ccccc4cc3c12","Cc1c2c(ccc1)ccc3c2cc4c(c3)cccc4",{"$nulls":4},242.109550448,"?"]
[3226,"OC(=O)c1cc(Cl)ccc1[N+]([O-])=O","2516-95-2","O=C(O)c1cc(Cl)ccc1[N+](=O)[O-]","O=C(O)c1c(ccc(c1)Cl)[N+](=O)[O-]",{"$nulls":4},200.982885288,"?"]
[3227,"OC(=O)c1cc(ccc1Cl)[N+]([O-])=O","2516-96-3","O=C(O)c1cc([N+](=O)[O-])ccc1Cl","O=C(O)c1c(ccc(c1)[N+](=O)[O-])Cl",{"$nulls":4},200.982885288,"?"]
[3228,"Cc1no[n+]([O-])c1C","2518-42-5","Cc1no[n+]([O-])c1C","Cc1c([n+](on1)[O-])C",{"$nulls":4},114.042927432,"?"]
[3229,"CCCCO[P](=O)(OCCCC)Oc1ccccc1","2528-36-1","CCCCOP(=O)(OCCCC)Oc1ccccc1","CCCCOP(=O)(OCCCC)Oc1ccccc1",{"$nulls":4},286.13339584600067,"?"]
[3230,"Cc1ccc2c(ccc3ccccc23)c1","2531-84-2","Cc1ccc2c(ccc3ccccc32)c1","Cc1cc2c(cc1)c3c(cc2)cccc3",{"$nulls":4},192.093900384,"?"]
[3231,"COC(=O)C1(O)c2ccccc2c3ccc(Cl)cc13","2536-31-4","COC(=O)C1(O)c2ccccc2-c2ccc(Cl)cc21","COC(=O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O",{"$nulls":4},274.03967189200034,"?"]
[3232,"COc1cc(Cl)c(Cl)c(Cl)c1OCl","2539-17-5","COc1cc(Cl)c(Cl)c(Cl)c1OCl","COc1c(c(c(c(c1)Cl)Cl)Cl)OCl",{"$nulls":4},259.8965400880001,"?"]
[3233,"CO[P](=S)(OC)SCC(=O)N(C)C=O","2540-82-1","COP(=S)(OC)SCC(=O)N(C)C=O","COP(=S)(OC)SCC(=O)N(C)C=O",{"$nulls":4},256.99453649400004,"?"]
[3234,"Cc1c2ccccc2cc3c4ccccc4cc(F)c13","2541-68-6","Cc1c2ccccc2cc2c1c(F)cc1ccccc12","Cc1c2c(cc3c1cccc3)c4c(cc2F)cccc4",{"$nulls":4},260.10012863600014,"?"]
[3235,null,"2541-69-7",{"$nulls":7},""]
[3236,"OC(=O)CCCCCCCC=O","2553-17-5","O=CCCCCCCCC(=O)O","O=CCCCCCCCC(=O)O",{"$nulls":4},172.109944372,"?"]
[3237,"ClC(Cl)C(=O)Nc1ccccc1","2563-99-7","O=C(Nc1ccccc1)C(Cl)Cl","O=C(Nc1ccccc1)C(Cl)Cl",{"$nulls":4},202.990469204,"?"]
[3238,"CCC1OCCO1","2568-96-9","CCC1OCCO1","CCC1OCCO1",{"$nulls":4},102.06807956,"?"]
[3239,"CC(=C)[CH]1[CH]2OC(=O)[CH]1[C]3(O)[CH]4O[CH]4[C]5(CO5)[C]3(C)[CH]2O","2571-22-4","C=C(C)C1C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2O","C=C(C)C1C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O",{"$nulls":4},294.1103382960005,"?"]
[3240,"NC(=N)C(NO)=NO","2580-79-2","N=C(N)C(=NO)NO","N=C(N)C(=NO)NO",{"$nulls":4},118.049075432,"?"]
[3241,"Cc1cc(O)ccc1[N+]([O-])=O","2581-34-2","Cc1cc(O)ccc1[N+](=O)[O-]","Cc1c(ccc(c1)O)[N+](=O)[O-]",{"$nulls":4},153.042593084,"?"]
[3242,"[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(Nc3ccccc3)cc2","2581-69-3","O=[N+]([O-])c1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)Nc3ccccc3","C.I",{"$nulls":3},462.0552738480004,"?"]
[3243,"NC(N)=Nc1sc2ccccc2n1","2582-07-2","NC(N)=Nc1nc2ccccc2s1","NC(N)=Nc1sc2c(n1)cccc2",{"$nulls":4},192.046967256,"?"]
[3244,"OC(=O)CCC=CC(O)=O","2583-24-6","O=C(O)C=CCCC(=O)O","O=C(O)C=CCCC(=O)O",{"$nulls":4},144.042258736,"?"]
[3245,"CCO[P](=S)(OCC)SC[S](=O)CC","2588-03-6","CCOP(=S)(OCC)SCS(=O)CC","CCOP(=S)(OCC)SCS(=O)CC",{"$nulls":4},276.00774403400044,"?"]
[3246,"CCO[P](=S)(OCC)SC[S](=O)(=O)CC","2588-04-7","CCOP(=S)(OCC)SCS(=O)(=O)CC","CCOP(=S)(OCC)SCS(=O)(=O)CC",{"$nulls":4},292.00265865400047,"?"]
[3247,"CCO[P](=O)(OCC)SC[S](=O)CC","2588-05-8","CCOP(=O)(OCC)SCS(=O)CC","CCOP(=O)(OCC)SCS(=O)CC",{"$nulls":4},260.0305876540001,"?"]
[3248,null,"2593-15-9",{"$nulls":7},""]
[3249,"CCOC(=O)N(C)C(=O)CS[P](=S)(OCC)OCC","2595-54-2","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC",{"$nulls":4},329.0520513700005,"?"]
[3250,"CCOC(=O)C(S[P](=S)(OC)OC)c1ccccc1","2597-03-7","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1",{"$nulls":4},320.03058765400044,"?"]
[3251,"C[Hg]C#N","2597-97-9","C[Hg]C#N","C[Hg]C#N",{"$nulls":4},242.997192096,"?"]
[3252,"CCNC1=NC(=O)N=C(NCC)N1","2599-11-3","CCNc1nc(=O)nc(NCC)[nH]1","CCNc1[nH]c(nc(n1)=O)NCC",{"$nulls":4},183.112010036,"?"]
[3253,"Cc1nc(C)c(cc1C(O)=O)C(O)=O","2602-36-0","Cc1nc(C)c(C(=O)O)cc1C(=O)O","Cc1c(cc(c(n1)C)C(=O)O)C(=O)O",{"$nulls":4},195.053157768,"?"]
[3254,"[Na+].[Na+].[Na+].[O-][S](=O)(=O)c1cc2C=CC(=O)C(=NNc3ccc(c4ccccc34)[S]([O-])(=O)=O)c2c(c1)[S]([O-])(=O)=O","2611-82-7","O=C1C=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2C1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12","O=C1C(c2c(C=C1)cc(S(=O)(=O)O)cc2S(=O)(=O)O)=NNc3c4c(c(cc3)S(=O)(=O)O)cccc4","[Na+]","[Na+]","[Na+]",null,603.9268903920001,"Structure has been neutralized"]
[3255,null,"2620-71-5",{"$nulls":7},""]
[3256,"OC1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C#N)CC1","2622-26-6","N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2","N#Cc1cc2c(cc1)Sc3c(N2CCCN4CCC(CC4)O)cccc3",{"$nulls":4},365.15618335600067,"?"]
[3257,"CC(=O)Nc1ccc(OC(C)=O)cc1","2623-33-8","CC(=O)Nc1ccc(OC(C)=O)cc1","CC(=O)Nc1ccc(cc1)OC(C)=O",{"$nulls":4},193.073893212,"?"]
[3258,null,"2625-22-1",{"$nulls":7},""]
[3259,"CN1C(=O)N(C)c2nc(C)c(C)nc2C1=O","2625-25-4","Cc1nc2c(=O)n(C)c(=O)n(C)c2nc1C","Cc1c(nc2c(n1)c(=O)n(C)c(=O)n2C)C",{"$nulls":4},220.096025624,"?"]
[3260,null,"2631-37-0",{"$nulls":7},""]
[3261,"CNC(=O)Oc1ccccc1C(C)C","2631-40-5","CNC(=O)Oc1ccccc1C(C)C","CNC(=O)Oc1c(cccc1)C(C)C",{"$nulls":4},193.11027872,"?"]
[3262,"Oc1c(I)cc(I)cc1C=O","2631-77-8","O=Cc1cc(I)cc(I)c1O","O=Cc1c(c(cc(c1)I)I)O",{"$nulls":4},373.8300753680001,"?"]
[3263,"CCc1nc(N)c(C)c(CC)n1","2635-56-5","CCc1nc(N)c(C)c(CC)n1","CCc1nc(c(c(n1)N)C)CC",{"$nulls":4},165.12659748,"?"]
[3264,"CCCC(=O)Oc1ccc(cc1)[N+]([O-])=O","2635-84-9","CCCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},209.068807832,"?"]
[3265,"CO[P](=S)(OC)Oc1ccc(cc1)C#N","2636-26-2","COP(=S)(OC)Oc1ccc(C#N)cc1","COP(=S)(OC)Oc1ccc(cc1)C#N",{"$nulls":4},243.01190081,"?"]
[3266,"ON=C1C(=O)C=Cc2ccccc12","2636-79-5","O=C1C=Cc2ccccc2C1=NO","O=C1C(c2c(C=C1)cccc2)=NO",{"$nulls":4},173.047678464,"?"]
[3267,"CC(CCC(O)=O)(N=NC(C)(CCC(O)=O)C#N)C#N","2638-94-0","CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O","CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O",{"$nulls":4},280.11715499200045,"?"]
[3268,"CCO[P](=S)(OCC)SCN1N=Nc2ccccc2C1=O","2642-71-9","CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O","CCOP(=S)(OCC)SCn1c(c2c(nn1)cccc2)=O",{"$nulls":4},345.0370700020004,"?"]
[3269,"Nc1cc2c3ccccc3ccc2c4ccccc14","2642-98-0","Nc1cc2c3ccccc3ccc2c2ccccc12","Nc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2",{"$nulls":4},243.104799416,"?"]
[3270,null,"2655-14-3",{"$nulls":7},""]
[3271,"CNC(O)=O.CC(C)(C)c1cc(O)cc(c1)C(C)(C)C","2655-19-8","CC(C)(C)c1cc(O)cc(C(C)(C)C)c1","CC(C)(C)c1cc(cc(c1)O)C(C)(C)C","CNC(O)=O",{"$nulls":3},281.199093724,"?"]
[3272,"COc1cc(Cl)c(OC)cc1Cl","2675-77-6","COc1cc(Cl)c(OC)cc1Cl","COc1c(cc(c(c1)Cl)OC)Cl",{"$nulls":4},205.990134856,"?"]
[3273,"CNCCC(O)=O","2679-14-3","CNCCC(=O)O","CNCCC(=O)O",{"$nulls":4},103.063328528,"?"]
[3274,"CCCCCCCCCCCCN1CCCC1=O","2687-96-9","CCCCCCCCCCCCN1CCCC1=O","CCCCCCCCCCCCN1C(CCC1)=O",{"$nulls":4},253.240564612,"?"]
[3275,"Clc1ccccc1Oc2ccccc2","2689-07-8","Clc1ccccc1Oc1ccccc1","Clc1c(cccc1)Oc2ccccc2",{"$nulls":4},204.034192588,"?"]
[3276,null,"2703-37-9",{"$nulls":7},""]
[3277,"CC(=O)Nc1ccc(cc1)C(C)=O","2719-21-3","CC(=O)Nc1ccc(C(C)=O)cc1","CC(=O)Nc1ccc(cc1)C(C)=O",{"$nulls":4},177.078978592,"?"]
[3278,"[O-][N+](=O)c1ccc2OC(=O)C=Cc2c1","2725-81-7","O=c1ccc2cc([N+](=O)[O-])ccc2o1","O=c1oc2c(cc1)cc([N+](=O)[O-])cc2",{"$nulls":4},191.02185764,"?"]
[3279,"CCCCO[P](=O)(OCC)OCC","2737-00-0","CCCCOP(=O)(OCC)OCC","CCCCOP(=O)(OCC)OCC",{"$nulls":4},210.102095718,"?"]
[3280,"CCOC(=O)[CH](N)CC(C)C","2743-60-4","CCOC(=O)C(N)CC(C)C","CCOC(=O)C(N)CC(C)C",{"$nulls":4},159.125928784,"?"]
[3281,"OC(=O)[CH](CSSC[CH](NC(=O)Cc1ccccc1)C(O)=O)NC(=O)Cc2ccccc2","2752-39-8","O=C(Cc1ccccc1)NC(CSSCC(NC(=O)Cc1ccccc1)C(=O)O)C(=O)O","O=C(Cc1ccccc1)NC(CSSCC(NC(=O)Cc2ccccc2)C(=O)O)C(=O)O",{"$nulls":4},476.1075784880006,"?"]
[3282,null,"2754-57-6",{"$nulls":7},""]
[3283,"[Br-].[Br-].C1C[n+]2ccccc2c3cccc[n+]13","2764-72-9","c1cc[n+]2c(c1)-c1cccc[n+]1CC2","c1cc-2[n+](cc1)CC[n+]3c2cccc3","[Br-]","[Br-]",null,null,341.936722584,"?"]
[3284,"COc1cc(Cl)c(Cl)cc1OC","2772-46-5","COc1cc(Cl)c(Cl)cc1OC","COc1c(cc(c(c1)Cl)Cl)OC",{"$nulls":4},205.990134856,"?"]
[3285,"COC1=COC(=CC1=O)CS[P](=O)(OC)OC","2778-04-3","COc1coc(CSP(=O)(OC)OC)cc1=O","COc1c(cc(oc1)CSP(=O)(OC)OC)=O",{"$nulls":4},280.01704576600036,"?"]
[3286,null,"2784-22-7",{"$nulls":7},""]
[3287,"CC(O)([P](O)(O)=O)[P](O)(O)=O","2809-21-4","CC(O)(P(=O)(O)O)P(=O)(O)O","CC(O)(P(=O)(O)O)P(=O)(O)O",{"$nulls":4},205.974525856,"?"]
[3288,"CCC(C)c1cc(cc(c1OC(C)=O)[N+]([O-])=O)[N+]([O-])=O","2813-95-8","CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(C)=O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(C)=O",{"$nulls":4},282.0851861680004,"?"]
[3289,"C[CH]1CN[CH](C)CN1","2815-34-1","CC1CNC(C)CN1","CC1NCC(NC1)C",{"$nulls":4},114.11569844799999,"?"]
[3290,"CC(=O)C=CC(O)=O","2833-21-8","CC(=O)C=CC(=O)O","CC(=O)C=CC(=O)O",{"$nulls":4},114.031694052,"?"]
[3291,"OC(=O)CCCCCCCCCCBr","2834-05-1","O=C(O)CCCCCCCCCCBr","O=C(O)CCCCCCCCCCBr",{"$nulls":4},264.0724920120002,"?"]
[3292,"NC(C(O)=O)c1ccccc1","2835-06-5","NC(C(=O)O)c1ccccc1","NC(C(=O)O)c1ccccc1",{"$nulls":4},151.063328528,"?"]
[3293,"CCC(N)C(O)=O","2835-81-6","CCC(N)C(=O)O","CCC(N)C(=O)O",{"$nulls":4},103.063328528,"?"]
[3294,"FC(Cl)C(F)(F)F","2837-89-0","FC(Cl)C(F)(F)F","FC(Cl)C(F)(F)F",{"$nulls":4},135.970290592,"?"]
[3295,"COc1cccc(Cl)c1","2845-89-8","COc1cccc(Cl)c1","COc1cc(ccc1)Cl",{"$nulls":4},142.018542524,"?"]
[3296,null,"2861-02-1",{"$nulls":7},""]
[3297,"CC1(C)OCCO1","2916-31-6","CC1(C)OCCO1","CC1(OCCO1)C",{"$nulls":4},102.06807956,"?"]
[3298,"CCO[P](=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl","2921-88-2","CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl","CCOP(=S)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl",{"$nulls":4},348.9262838820003,"?"]
[3299,"O=C1CCCC1C#N","2941-29-9","N#CC1CCCC1=O","N#CC1C(CCC1)=O",{"$nulls":4},109.052763844,"?"]
[3300,"CCSC(=O)N(CC)CC","2941-55-1","CCSC(=O)N(CC)CC","CCSC(=O)N(CC)CC",{"$nulls":4},161.0874351,"?"]
[3301,null,"2948-89-2",{"$nulls":7},""]
[3302,"CCCCO[P](=O)(CCCC)CCCC","2950-47-2","CCCCOP(=O)(CCCC)CCCC","CCCCOP(=O)(CCCC)CCCC",{"$nulls":4},234.174866734,"?"]
[3303,"Cc1nc(C)c(Cl)c(O)c1Cl","2971-90-6","Cc1nc(C)c(Cl)c(O)c1Cl","Cc1c(c(c(c(n1)C)Cl)O)Cl",{"$nulls":4},190.990469204,"?"]
[3304,"Oc1ccc(C=O)cc1Br","2973-78-6","O=Cc1ccc(O)c(Br)c1","O=Cc1cc(c(cc1)O)Br",{"$nulls":4},199.9472915,"?"]
[3305,"Clc1ccc(cc1)c2cccc(Cl)c2","2974-90-5","Clc1ccc(-c2cccc(Cl)c2)cc1","Clc1ccc(cc1)-c2cc(ccc2)Cl",{"$nulls":4},222.000305616,"?"]
[3306,"Clc1ccc(cc1Cl)c2ccccc2","2974-92-7","Clc1ccc(-c2ccccc2)cc1Cl","Clc1c(cc(cc1)-c2ccccc2)Cl",{"$nulls":4},222.000305616,"?"]
[3307,"OC(=O)COc1cccc(Cl)c1Cl","2976-74-1","O=C(O)COc1cccc(Cl)c1Cl","O=C(O)COc1c(c(ccc1)Cl)Cl",{"$nulls":4},219.96939941199997,"?"]
[3308,"CCOC(=O)C(C)OC(C)=O","2985-28-6","CCOC(=O)C(C)OC(C)=O","CCOC(=O)C(C)OC(C)=O",{"$nulls":4},160.073558864,"?"]
[3309,"Nc1ccc(SC#N)cc1","2987-46-4","N#CSc1ccc(N)cc1","N#CSc1ccc(cc1)N",{"$nulls":4},150.025169192,"?"]
[3310,"Nc1[nH]c(c2ncnc2n1)C(F)(F)F","2993-20-6","Nc1nc2ncnc-2c(C(F)(F)F)[nH]1","Nc1[nH]c(c2-c(n1)ncn2)C(F)(F)F",{"$nulls":4},203.041879788,"?"]
[3311,"CCN(CC)c1nc(NC(C)C)nc(OC)n1","3004-70-4","CCN(CC)c1nc(NC(C)C)nc(OC)n1","CCN(CC)c1nc(nc(n1)NC(C)C)OC",{"$nulls":4},239.17461029199998,"?"]
[3312,"CNc1nc(Cl)nc(NC(C)C)n1","3004-71-5","CNc1nc(Cl)nc(NC(C)C)n1","CNc1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},201.07812306399998,"?"]
[3313,"Oc1ccc(C=O)cc1[N+]([O-])=O","3011-34-5","O=Cc1ccc(O)c([N+](=O)[O-])c1","O=Cc1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},167.02185764,"?"]
[3314,"CC(Br)CCl","3017-95-6","CC(Br)CCl","CC(Br)CCl",{"$nulls":4},155.934139972,"?"]
[3315,"CC(=O)CSC#N","3029-48-9","CC(=O)CSC#N","CC(=O)CSC#N",{"$nulls":4},115.00918478,"?"]
[3316,"CC(CO)(CO)CO.O[N+]([O-])=O.O[N+]([O-])=O.O[N+]([O-])=O","3032-55-1","CC(CO)(CO)CO","CC(CO)(CO)CO","O[N+]([O-])=O","O[N+]([O-])=O","O[N+]([O-])=O",null,309.06557292,"?"]
[3317,null,"3035-45-8",{"$nulls":7},""]
[3318,"NC1=C(Br)C(=O)N(N=C1)c2ccccc2","3042-84-0","Nc1cnn(-c2ccccc2)c(=O)c1Br","Nc1c(c(n(nc1)-c2ccccc2)=O)Br",{"$nulls":4},264.9850739760002,"?"]
[3319,null,"3058-01-3",{"$nulls":7},""]
[3320,"CN[CH](CC(C)C)C(O)=O","3060-46-6","CNC(CC(C)C)C(=O)O","CNC(CC(C)C)C(=O)O",{"$nulls":4},145.11027872,"?"]
[3321,"CON(C)C(=O)Nc1ccc(Br)cc1","3060-89-7","CON(C)C(=O)Nc1ccc(Br)cc1","CON(C)C(=O)Nc1ccc(cc1)Br",{"$nulls":4},258.00038969200006,"?"]
[3322,"CC(C)C(NC(C)=O)C(O)=O","3067-19-4","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C",{"$nulls":4},159.089543276,"?"]
[3323,"CC1CC(=O)O1","3068-88-0","CC1CC(=O)O1","CC1OC(C1)=O",{"$nulls":4},86.036779432,"?"]
[3324,"C=CCCCC=C","3070-53-9","C=CCCCC=C","C=CCCCC=C",{"$nulls":4},96.093900384,"?"]
[3325,"CC1CCCC(C)(C)C1","3073-66-3","CC1CCCC(C)(C)C1","CC1CC(CCC1)(C)C",{"$nulls":4},126.14085057599999,"?"]
[3326,null,"3077-12-1",{"$nulls":7},""]
[3327,"OC(=O)CNCCC#N","3088-42-4","N#CCCNCC(=O)O","N#CCCNCC(=O)O",{"$nulls":4},128.058577496,"?"]
[3328,"CCC(C)C(N)C(O)=O","3107-04-8","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[3329,null,"3109-12-4",{"$nulls":7},""]
[3331,"CC(C)(C)CCCO","3121-79-7","CC(C)(C)CCCO","CC(C)(C)CCCO",{"$nulls":4},116.120115132,"?"]
[3332,"NC(=O)C[CH](NC(N)=O)C(O)=O","3130-86-7","NC(=O)CC(NC(N)=O)C(=O)O","NC(=O)CC(NC(N)=O)C(=O)O",{"$nulls":4},175.059305768,"?"]
[3333,null,"3134-12-1",{"$nulls":7},""]
[3334,"NC(=O)NCl","3135-74-8","NC(=O)NCl","NC(=O)NCl",{"$nulls":4},93.993390396,"?"]
[3335,"CC(C)C[CH](N)C(=O)NCC(=O)NCC(O)=O","3146-41-6","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O",{"$nulls":4},245.137556088,"?"]
[3336,"OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)C=O","3146-50-7","O=CC(O)C(O)C(O)C(O)C(O)CO","O=CC(O)C(O)C(O)C(O)C(O)CO",{"$nulls":4},210.073952788,"?"]
[3337,null,"3146-66-5",{"$nulls":7},""]
[3338,"OC(=O)c1cc(ccc1O)N=Nc2ccccc2","3147-53-3","O=C(O)c1cc(N=Nc2ccccc2)ccc1O","O=C(O)c1c(ccc(c1)N=Nc2ccccc2)O",{"$nulls":4},242.06914218,"?"]
[3339,"CCCCNC(=O)N[S](=O)(=O)c1ccccc1","3149-00-6","CCCCNC(=O)NS(=O)(=O)c1ccccc1","CCCCNC(=O)NS(=O)(=O)c1ccccc1",{"$nulls":4},256.088163372,"?"]
[3340,null,"3153-44-4",{"$nulls":7},""]
[3341,"CCC(NC=NN)C(O)=O","3164-99-6","CCC(NC=NN)C(=O)O","CCC(NC=NN)C(=O)O",{"$nulls":4},145.085126592,"?"]
[3342,"OC1=CC=C(Br)C=CC1=O","3172-00-7","O=c1ccc(Br)ccc1O","O=c1c(ccc(cc1)Br)O",{"$nulls":4},199.9472915,"?"]
[3343,"Cc1ccc(cc1)[S](C)(=O)=O","3185-99-7","Cc1ccc(S(C)(=O)=O)cc1","Cc1ccc(cc1)S(C)(=O)=O",{"$nulls":4},170.04015056,"?"]
[3344,"C=C[S](=O)(=O)Nc1ccccc1","3192-10-7","C=CS(=O)(=O)Nc1ccccc1","C=CS(=O)(=O)Nc1ccccc1",{"$nulls":4},183.035399528,"?"]
[3345,"BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br","3194-55-6","BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br","BrC1C(CCC(C(CCC(C(CC1)Br)Br)Br)Br)Br",{"$nulls":4},635.6508731760006,"?"]
[3346,null,"3196-84-7",{"$nulls":7},""]
[3347,"CC(C)COC(=O)C(C)(C)O","3196-85-8","CC(C)COC(=O)C(C)(C)O","CC(C)COC(=O)C(C)(C)O",{"$nulls":4},160.109944372,"?"]
[3348,"Oc1ccccc1C(=O)N2CCOCC2","3202-84-4","O=C(c1ccccc1O)N1CCOCC1","O=C(c1c(cccc1)O)N2CCOCC2",{"$nulls":4},207.089543276,"?"]
[3349,"Cc1cc(O)c(cc1O)C(O)=O","3209-15-2","Cc1cc(O)c(C(=O)O)cc1O","Cc1c(cc(c(c1)O)C(=O)O)O",{"$nulls":4},168.042258736,"?"]
[3350,"[O-][N+](=O)c1cccc(Cl)c1Cl","3209-22-1","O=[N+]([O-])c1cccc(Cl)c1Cl","O=[N+]([O-])c1c(c(ccc1)Cl)Cl",{"$nulls":4},190.954083696,"?"]
[3351,"OC(=O)c1ccon1","3209-71-0","O=C(O)c1ccon1","O=C(O)c1nocc1",{"$nulls":4},113.011292956,"?"]
[3352,null,"3213-22-7",{"$nulls":7},""]
[3353,"CC(C)c1cccc(C)c1O","3228-04-4","Cc1cccc(C(C)C)c1O","Cc1c(c(ccc1)C(C)C)O",{"$nulls":4},150.104465068,"?"]
[3354,"BrCC(CBr)(CBr)CBr","3229-00-3","BrCC(CBr)(CBr)CBr","BrCC(CBr)(CBr)CBr",{"$nulls":4},383.73594865600023,"?"]
[3355,"OC(=O)c1oc(cc1)C(O)=O","3238-40-2","O=C(O)c1ccc(C(=O)O)o1","O=C(O)c1oc(cc1)C(=O)O",{"$nulls":4},156.00587322799998,"?"]
[3356,"CCCO[P](=O)(OCCC)O[P](=S)(OCCC)OCCC","3244-90-4","CCCOP(=O)(OCCC)OP(=S)(OCCC)OCCC","CCCOP(=O)(OCCC)OP(=S)(OCCC)OCCC",{"$nulls":4},362.10818287600074,"?"]
[3357,"Cc1ccnc2c1ccc3c(C)ccnc23","3248-05-3","Cc1ccnc2c1ccc1c(C)ccnc12","Cc1c2c(ncc1)c3c(cc2)c(C)ccn3",{"$nulls":4},208.100048384,"?"]
[3358,"CCC(=O)OOC(=O)CC","3248-28-0","CCC(=O)OOC(=O)CC","CCC(=O)OOC(=O)CC",{"$nulls":4},146.0579088,"?"]
[3359,null,"3260-51-3",{"$nulls":7},""]
[3360,null,"3260-52-4",{"$nulls":7},""]
[3361,"Clc1c(Cl)c(Cl)c2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2c1Cl","3268-87-9","Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",{"$nulls":4},455.74065067999993,"?"]
[3362,null,"3283-26-9",{"$nulls":7},""]
[3363,"CCC(CO)(CO)CO.CC(=C)C(O)=O.CC(=C)C(O)=O.CC(=C)C(O)=O","3290-92-4","CCC(CO)(CO)CO","CCC(CO)(CO)CO","CC(=C)C(O)=O","CC(=C)C(O)=O","CC(=C)C(O)=O",null,392.20463260400004,"?"]
[3364,null,"3296-90-0",{"$nulls":7},""]
[3365,"OC(=O)C1=CCc2ccccc2C1","3299-82-9","O=C(O)C1=CCc2ccccc2C1","O=C(O)C=1Cc2c(CC1)cccc2",{"$nulls":4},174.06807956,"?"]
[3366,"CC(Oc1ccc(Cl)cc1)C(O)=O","3307-39-9","CC(Oc1ccc(Cl)cc1)C(=O)O","CC(Oc1ccc(cc1)Cl)C(=O)O",{"$nulls":4},200.024021828,"?"]
[3367,null,"3318-78-3",{"$nulls":7},""]
[3368,"CN(C)C(N)=N","3324-71-8","CN(C)C(=N)N","CN(C)C(=N)N",{"$nulls":4},87.07964728799999,"?"]
[3369,"OC(=O)C1=CCCc2ccccc12","3333-23-1","O=C(O)C1=CCCc2ccccc21","O=C(O)C=1c2c(CCC1)cccc2",{"$nulls":4},174.06807956,"?"]
[3370,"COC(=O)N[S](=O)(=O)c1ccc(N)cc1","3337-71-1","COC(=O)NS(=O)(=O)c1ccc(N)cc1","COC(=O)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},230.0361278,"?"]
[3371,"OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)CO","3343-95-1","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",{"$nulls":4},212.089602852,"?"]
[3372,"ON=C1CCCC=C1","3349-62-0","ON=C1C=CCCC1","ON=C1CCCC=C1",{"$nulls":4},111.068413908,"?"]
[3373,"Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl","3380-34-5","Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl","Oc1c(ccc(c1)Cl)Oc2c(cc(cc2)Cl)Cl",{"$nulls":4},287.9511625040002,"?"]
[3374,"CO[P](=S)(OC)Oc1ccc(Sc2ccc(O[P](=S)(OC)OC)cc2)cc1","3383-96-8","COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1","COP(=S)(OC)Oc1ccc(cc1)Sc2ccc(cc2)OP(=S)(OC)OC",{"$nulls":4},465.9897246200005,"?"]
[3375,"C=CCCN=C=S","3386-97-8","C=CCCN=C=S","C=CCCN=C=S",{"$nulls":4},113.029920224,"?"]
[3376,"N[CH](Cc1cc(Cl)c(O)c(Cl)c1)C(O)=O","3387-87-9","NC(Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O",{"$nulls":4},248.995948508,"?"]
[3377,"Nc1nc(N)nc(Cl)n1","3397-62-4","Nc1nc(N)nc(Cl)n1","Nc1nc(nc(n1)N)Cl",{"$nulls":4},145.015522808,"?"]
[3378,"CCC(=O)NCCNC(=O)CC","3403-77-8","CCC(=O)NCCNC(=O)CC","CCC(=O)NCCNC(=O)CC",{"$nulls":4},172.121177752,"?"]
[3379,"OC(=O)C1Cc2ccccc2C=C1","3408-30-8","O=C(O)C1C=Cc2ccccc2C1","O=C(O)C1Cc2c(C=C1)cccc2",{"$nulls":4},174.06807956,"?"]
[3380,"Cc1cccc(C)c1NC(=O)CN2CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC2","3416-26-0","Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1","Cc1c(c(ccc1)C)NC(=O)CN2CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F",{"$nulls":4},491.274819180001,"?"]
[3381,"NC(=O)CCCC(N)=O","3424-60-0","NC(=O)CCCC(N)=O","NC(=O)CCCC(N)=O",{"$nulls":4},130.07422756,"?"]
[3382,"Clc1ccc(cc1)C(=C(Cl)Cl)c2ccccc2Cl","3424-82-6","ClC(Cl)=C(c1ccc(Cl)cc1)c1ccccc1Cl","ClC(Cl)=C(c1ccc(cc1)Cl)c2c(cccc2)Cl",{"$nulls":4},315.9380109760002,"?"]
[3383,null,"3434-54-6",{"$nulls":7},""]
[3384,"OC(=O)c1occ(Br)c1","3439-02-9","O=C(O)c1cc(Br)co1","O=C(O)c1occ(c1)Br",{"$nulls":4},189.926556056,"?"]
[3385,"CCCCCCCC#C","3452-09-3","C#CCCCCCCC","C#CCCCCCCC",{"$nulls":4},124.12520051199999,"?"]
[3386,"OC[CH](O)[CH](O)[CH](O)[CH](O)C=O","3458-28-4","O=CC(O)C(O)C(O)C(O)CO","O=CC(O)C(O)C(O)C(O)CO",{"$nulls":4},180.063388104,"?"]
[3387,"CC1CCCCN1CCCOC(=O)c2ccc(Cl)c(Cl)c2","3478-94-2","CC1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1","CC1N(CCCC1)CCCOC(=O)c2cc(c(cc2)Cl)Cl",{"$nulls":4},329.09493427200056,"?"]
[3388,"CC(=C)C1(O)C2OC(=O)C1C3(O)C4OC4C5(CO5)C3(C)C2O","3484-46-6","C=C(C)C1(O)C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2O","C=C(C)C1(C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O)O",{"$nulls":4},310.1052529160005,"?"]
[3389,"Clc1c(Cl)c(Cl)c2nccnc2c1Cl","3495-42-9","Clc1c(Cl)c(Cl)c2nccnc2c1Cl","Clc1c(c2c(c(c1Cl)Cl)nccn2)Cl",{"$nulls":4},265.89720878400004,"?"]
[3390,"CC(Cl)[S](Cl)(=O)=O","3518-66-9","CC(Cl)S(=O)(=O)Cl","CC(Cl)S(=O)(=O)Cl",{"$nulls":4},161.930905728,"?"]
[3391,"CC(C)CCC(C)(C)C","3522-94-9","CC(C)CCC(C)(C)C","CC(C)CCC(C)(C)C",{"$nulls":4},128.15650064,"?"]
[3392,null,"3544-94-3",{"$nulls":7},""]
[3393,"CCOC(=O)N(CC)CC","3553-80-8","CCOC(=O)N(CC)CC","CCOC(=O)N(CC)CC",{"$nulls":4},145.11027872,"?"]
[3394,"CCC(C)c1ccc(O)c(c1)[N+]([O-])=O","3555-18-8","CCC(C)c1ccc(O)c([N+](=O)[O-])c1","CCC(C)c1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},195.089543276,"?"]
[3395,"Oc1cc(O)c(c(O)c1)C(=O)c2ccccc2","3555-86-0","O=C(c1ccccc1)c1c(O)cc(O)cc1O","O=C(c1ccccc1)c2c(cc(cc2O)O)O",{"$nulls":4},230.0579088,"?"]
[3396,null,"3566-00-5",{"$nulls":7},""]
[3397,"OC[CH]1OC2(COC3(CO2)O[CH](CO)[CH](O)[CH]3O)[CH](O)[CH]1O","3568-49-8","OCC1OC2(COC3(CO2)OC(CO)C(O)C3O)C(O)C1O","OCC1C(C(C2(O1)OCC3(OC2)C(C(C(O3)CO)O)O)O)O",{"$nulls":4},324.10564684000053,"?"]
[3398,null,"3571-94-6",{"$nulls":7},""]
[3399,null,"3572-43-8",{"$nulls":7},""]
[3400,"OCCN(Cc1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1)C(=O)C(Cl)Cl","3576-64-5","O=C(C(Cl)Cl)N(CCO)Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1","O=C(C(Cl)Cl)N(CCO)Cc1ccc(cc1)Oc2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},398.0436269720004,"?"]
[3401,"CCCCCCCCCC(C(O)=O)C(O)=O","3578-47-0","CCCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCCC(C(=O)O)C(=O)O",{"$nulls":4},230.151809184,"?"]
[3402,"OC(=O)C=CC=CC(O)=O","3588-17-8","O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O",{"$nulls":4},142.026608672,"?"]
[3403,null,"3615-21-2",{"$nulls":7},""]
[3404,"CCC1(C(=O)NC(=O)NC1=O)C2=CC3CCC(C3)C2","3625-25-0","CCC1(C2=CC3CCC(C2)C3)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C=2CC3CCC(C2)C3",{"$nulls":4},262.1317424360002,"?"]
[3405,"CCC(O)(CC)C(O)=O","3639-21-2","CCC(O)(CC)C(=O)O","CCC(O)(CC)C(=O)O",{"$nulls":4},132.078644244,"?"]
[3406,"C[CH](CC(O)=O)C(O)=O","3641-51-8","CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O",{"$nulls":4},132.042258736,"?"]
[3407,"N[CH]([CH](O)[CH](O)[CH](O)CO)C(O)=O","3646-68-2","NC(C(=O)O)C(O)C(O)C(O)CO","NC(C(=O)O)C(O)C(O)C(O)CO",{"$nulls":4},195.074287136,"?"]
[3408,"C(Cc1ccccc1)NCc2ccccc2","3647-71-0","c1ccc(CCNCc2ccccc2)cc1","c1ccc(cc1)CCNCc2ccccc2",{"$nulls":4},211.136099544,"?"]
[3409,"CCc1ccc(NC(C)=O)cc1","3663-34-1","CCc1ccc(NC(C)=O)cc1","CCc1ccc(cc1)NC(C)=O",{"$nulls":4},163.099714036,"?"]
[3410,"OCCCCCCCCCCC(O)=O","3669-80-5","O=C(O)CCCCCCCCCCO","O=C(O)CCCCCCCCCCO",{"$nulls":4},202.156894564,"?"]
[3411,null,"3680-32-8",{"$nulls":7},""]
[3412,"CCOC(C)C(=O)C=O","3688-37-7","CCOC(C)C(=O)C=O","CCOC(C)C(=O)C=O",{"$nulls":4},130.06299418,"?"]
[3413,"CCO[P](=S)(OCC)O[P](=S)(OCC)OCC","3689-24-5","CCOP(=S)(OCC)OP(=S)(OCC)OCC","CCOP(=S)(OCC)OP(=S)(OCC)OCC",{"$nulls":4},322.0227390000005,"?"]
[3414,"Clc1ccc(cc1)C(C(=O)C2C(=O)c3ccccc3C2=O)c4ccccc4","3691-35-8","O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccc(Cl)cc1","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccc(cc4)Cl",{"$nulls":4},374.0709720200004,"?"]
[3415,"Cc1cc2ccccc2c3ccc4ccccc4c13","3697-24-3","Cc1cc2ccccc2c2ccc3ccccc3c12","Cc1c2c(c3c(c1)cccc3)ccc4c2cccc4",{"$nulls":4},242.109550448,"?"]
[3416,"Cc1c(C)c2c3ccccc3ccc2c4ccccc14","3697-27-6","Cc1c(C)c2c3ccccc3ccc2c2ccccc12","Cc1c2c(c3c(c1C)c4c(cccc4)cc3)cccc2",{"$nulls":4},256.125200512,"?"]
[3417,"CCc1c2ccccc2cc3c1ccc4ccccc34","3697-30-1","CCc1c2ccccc2cc2c1ccc1ccccc12","CCc1c2c(cc3c1cccc3)c4c(cc2)cccc4",{"$nulls":4},256.125200512,"?"]
[3418,"N[S](=O)(=O)c1cccc(c1)[S](N)(=O)=O","3701-01-7","NS(=O)(=O)c1cccc(S(N)(=O)=O)c1","NS(=O)(=O)c1cc(ccc1)S(N)(=O)=O",{"$nulls":4},235.992548736,"?"]
[3419,"Cc1cc(C)c[n+]([O-])c1","3718-65-8","Cc1cc(C)c[n+]([O-])c1","Cc1c[n+](cc(c1)C)[O-]",{"$nulls":4},123.068413908,"?"]
[3420,"CC=CC(O)=O","3724-65-0","CC=CC(=O)O","CC=CC(=O)O",{"$nulls":4},86.036779432,"?"]
[3421,"NCc1ccccn1","3731-51-9","NCc1ccccn1","NCc1ncccc1",{"$nulls":4},108.06874825599999,"?"]
[3422,"NCc1ccncc1","3731-53-1","NCc1ccncc1","NCc1ccncc1",{"$nulls":4},108.06874825599999,"?"]
[3423,"CCO[P](=O)(OCC)SCC(=O)NC(C)(C)C#N","3734-95-0","CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N","CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N",{"$nulls":4},294.0803147180006,"?"]
[3424,null,"3735-01-1",{"$nulls":7},""]
[3425,"O=C1c2ccccc2C(=O)c3c4Nc5ccc6ccccc6c5C(=O)c4ccc13","3737-76-6","O=C1c2ccccc2C(=O)c2c1ccc1c(=O)c3c(ccc4ccccc43)[nH]c21","O=C1c2c(C(c3c1cccc3)=O)c4c(cc2)c(=O)c5c6c(ccc5[nH]4)cccc6",{"$nulls":4},375.08954327600037,"?"]
[3426,"Clc1cc(Cl)nc(n1)c2ccccc2","3740-92-9","Clc1cc(Cl)nc(-c2ccccc2)n1","Clc1nc(nc(c1)Cl)-c2ccccc2",{"$nulls":4},223.990803552,"?"]
[3427,"CCCCCC1CCCC1","3741-00-2","CCCCCC1CCCC1","CCCCCC1CCCC1",{"$nulls":4},140.15650064,"?"]
[3428,"O=[S]1OCCO1","3741-38-6","O=S1OCCO1","O=S1OCCO1",{"$nulls":4},107.988114988,"?"]
[3429,null,"3751-95-9",{"$nulls":7},""]
[3430,"CC(C#C)N(C)C(=O)Nc1ccc(Cl)cc1","3766-60-7","C#CC(C)N(C)C(=O)Nc1ccc(Cl)cc1","C#CC(C)N(C)C(=O)Nc1ccc(cc1)Cl",{"$nulls":4},236.071640716,"?"]
[3431,null,"3766-81-2",{"$nulls":7},""]
[3432,"Cc1cc(ccc1N=Nc2ccccc2)N(CCO)CCO","3771-38-8","Cc1cc(N(CCO)CCO)ccc1N=Nc1ccccc1","Cc1c(ccc(c1)N(CCO)CCO)N=Nc2ccccc2","[2H]IS",{"$nulls":3},460.0555709760006,"?"]
[3433,"COc1cc(N[S](=O)(=O)c2ccc(N)cc2)nc(C)n1","3772-76-7","COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C",{"$nulls":4},294.07866130800045,"?"]
[3434,"[K+].[O-][Cl](=O)=O","3811-04-9","[O-][Cl+2]([O-])[O-]","[O-][Cl+2]([O-])[O-]","[K+]",{"$nulls":3},121.91730322000001,"Errors in neutralization"]
[3435,"CO[P]1(=S)OCc2ccccc2O1","3811-49-2","COP1(=S)OCc2ccccc2O1","COP1(Oc2c(CO1)cccc2)=S",{"$nulls":4},216.001001778,"?"]
[3436,"OC(=O)CN1C(=O)Sc2cccc(Cl)c12","3813-05-6","O=C(O)Cn1c(=O)sc2cccc(Cl)c21","O=C(O)Cn1c2c(sc1=O)cccc2Cl",{"$nulls":4},242.975691732,"?"]
[3437,"NNC(=O)CC(=O)NN","3815-86-9","NNC(=O)CC(=O)NN","NNC(=O)CC(=O)NN",{"$nulls":4},132.064725496,"?"]
[3438,"OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23","3820-67-5","O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12","O=C(OCC(O)CO)c1c(cccc1)Nc2c3c(ncc2)cc(Cl)cc3",{"$nulls":4},372.0876847040005,"?"]
[3439,"CC(N)C(C)(C)C","3850-30-4","CC(N)C(C)(C)C","CC(N)C(C)(C)C",{"$nulls":4},101.12044947999999,"?"]
[3440,"COCCC(=O)OC","3852-09-3","COCCC(=O)OC","COCCC(=O)OC",{"$nulls":4},118.06299418,"?"]
[3441,"NNC(=O)[CH](O)[CH](O)[CH](O)[CH](O)CO","3868-12-0","NNC(=O)C(O)C(O)C(O)C(O)CO","NNC(=O)C(O)C(O)C(O)C(O)CO",{"$nulls":4},210.085186168,"?"]
[3442,"[nH]1c2ccccc2nc1c3occc3","3878-19-1","c1coc(-c2nc3ccccc3[nH]2)c1","c1cc(oc1)-c2[nH]c3c(n2)cccc3",{"$nulls":4},184.063662876,"?"]
[3443,"CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)C=O","3891-59-6","CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O","CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O",{"$nulls":4},390.11621152400056,"?"]
[3444,null,"3912-28-5",{"$nulls":7},""]
[3445,"Brc1ccc2Nc3ccccc3Sc2c1","3939-23-9","Brc1ccc2c(c1)Sc1ccccc1N2","Brc1cc2c(cc1)Nc3c(S2)cccc3",{"$nulls":4},276.95608235600025,"?"]
[3446,"Ic1ccc2Nc3ccccc3Sc2c1","3939-24-0","Ic1ccc2c(c1)Sc1ccccc1N2","Ic1cc2c(cc1)Nc3c(S2)cccc3",{"$nulls":4},324.9422182560003,"?"]
[3447,"ClCC[S](=O)(=O)CC[S](=O)(=O)CCCl","3944-87-4","O=S(=O)(CCCl)CCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCS(=O)(=O)CCCl",{"$nulls":4},281.95540622400034,"?"]
[3448,"OC(=O)CN(CC(O)=O)Cc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O","3952-78-1","O=C(O)CN(CC(=O)O)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O","O=C(O)CN(CC(=O)O)Cc1c(c(c2c(c1)C(c3c(C2=O)cccc3)=O)O)O",{"$nulls":4},385.07976644000036,"?"]
[3449,"COC(=O)c1ccc(O)c(Cl)c1","3964-57-6","COC(=O)c1ccc(O)c(Cl)c1","COC(=O)c1cc(c(cc1)O)Cl",{"$nulls":4},186.008371764,"?"]
[3450,"CCC(O)C(C)(C)C","3970-62-5","CCC(O)C(C)(C)C","CCC(O)C(C)(C)C",{"$nulls":4},116.120115132,"?"]
[3451,"OC(=O)C[CH](Cl)C(O)=O","3972-40-5","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O",{"$nulls":4},151.98763632,"?"]
[3452,"CCCCCCC(C(O)=O)C(O)=O","3974-36-5","CCCCCCC(C(=O)O)C(=O)O","CCCCCCC(C(=O)O)C(=O)O",{"$nulls":4},188.104858992,"?"]
[3453,"OC(=O)COc1c(Cl)ccc(Cl)c1Cl","4007-00-5","O=C(O)COc1c(Cl)ccc(Cl)c1Cl","O=C(O)COc1c(c(ccc1Cl)Cl)Cl",{"$nulls":4},253.93042705999997,"?"]
[3454,"COC(=O)CO.O[N+]([O-])=O","4059-62-5","COC(=O)CO","COC(=O)CO","O[N+]([O-])=O",{"$nulls":3},153.027336944,"?"]
[3455,null,"4065-45-6",{"$nulls":7},""]
[3456,"COCC(=O)c1ccccc1","4079-52-1","COCC(=O)c1ccccc1","COCC(=O)c1ccccc1",{"$nulls":4},150.06807956,"?"]
[3457,null,"4080-31-3",{"$nulls":7},""]
[3458,"Nc1ncnc(NCc2ccccc2)n1","4086-63-9","Nc1ncnc(NCc2ccccc2)n1","Nc1nc(ncn1)NCc2ccccc2",{"$nulls":4},201.10144535199998,"?"]
[3459,"CC=CCO","4088-60-2","CC=CCO","CC=CCO",{"$nulls":4},72.057514876,"?"]
[3460,"[O-][N+](=O)C(CCl)([N+]([O-])=O)[N+]([O-])=O","4100-02-1","O=[N+]([O-])C(CCl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(CCl)([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},198.963212464,"?"]
[3461,"CCC(CC)(C(O)=O)C(CC)(CC)C(O)=O","4111-60-8","CCC(CC)(C(=O)O)C(CC)(CC)C(=O)O","CCC(CC)(C(=O)O)C(CC)(CC)C(=O)O",{"$nulls":4},230.151809184,"?"]
[3462,"CCCCOCCC(=O)OC","4126-55-0","CCCCOCCC(=O)OC","CCCCOCCC(=O)OC",{"$nulls":4},160.109944372,"?"]
[3463,null,"4128-31-8",{"$nulls":7},""]
[3464,"CCSc1nc(NC(C)C)nc(NC(C)C)n1","4147-51-7","CCSc1nc(NC(C)C)nc(NC(C)C)n1","CCSc1nc(nc(n1)NC(C)C)NC(C)C",{"$nulls":4},255.15176667199998,"?"]
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[3526,"NCCCNc1ccccc1","4724-01-0","NCCCNc1ccccc1","NCCCNc1ccccc1",{"$nulls":4},150.115698448,"?"]
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[3695,null,"6050-42-6",{"$nulls":7},""]
[3696,"CCN(c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","6052-13-7","CCN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-]","CCN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},301.0294621840002,"?"]
[3697,"Nc1ccc(cc1)C#Cc2ccc(N)cc2","6052-15-9","Nc1ccc(C#Cc2ccc(N)cc2)cc1","Nc1ccc(cc1)C#Cc2ccc(cc2)N",{"$nulls":4},208.100048384,"?"]
[3698,null,"6054-99-5",{"$nulls":7},""]
[3699,"OC(=O)c1ccccc1C(=O)c2ccccc2O","6079-73-8","O=C(O)c1ccccc1C(=O)c1ccccc1O","O=C(O)c1c(cccc1)C(=O)c2c(cccc2)O",{"$nulls":4},242.0579088,"?"]
[3700,"[O-][N+](=O)C(COC(=O)c1ccccc1C(=O)OCC([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O","6093-30-7","O=C(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])c1ccccc1C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=C(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])c1c(cccc1)C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},491.9996781760001,"?"]
[3701,"CCC(O)C(Cl)(Cl)Cl","6111-61-1","CCC(O)C(Cl)(Cl)Cl","CCC(O)C(Cl)(Cl)Cl",{"$nulls":4},175.956247884,"?"]
[3702,"CC=CCO","6117-91-5","CC=CCO","CC=CCO",{"$nulls":4},72.057514876,"?"]
[3703,"COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1.OP=O","6119-53-5","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","OP=O",{"$nulls":3},388.15519391000066,"?"]
[3704,"CC(C)CC1OCCO1","6135-52-0","CC(C)CC1OCCO1","CC(C)CC1OCCO1",{"$nulls":4},130.099379688,"?"]
[3705,"Nc1ccc(cc1)[S](=O)(=O)Nc2sc3ccccc3n2","6138-01-8","Nc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2sc3c(n2)cccc3",{"$nulls":4},305.02926859200034,"?"]
[3706,"O=C1CCCCCCCCN1","6142-53-6","O=C1CCCCCCCCN1","O=C1NCCCCCCCC1",{"$nulls":4},155.131014164,"?"]
[3707,"CNCl","6154-14-9","CNCl","CNCl",{"$nulls":4},65.003226808,"?"]
[3708,"O.COc1ccc(cc1OC)C(O)=O","6159-60-0","COc1ccc(C(=O)O)cc1OC","COc1c(cc(cc1)C(=O)O)OC","O",{"$nulls":3},200.068473484,"?"]
[3709,"CN(C)C=Nc1ccc(Cl)cc1C","6164-98-3","Cc1cc(Cl)ccc1N=CN(C)C","Cc1c(ccc(c1)Cl)N=CN(C)C",{"$nulls":4},196.076726096,"?"]
[3710,"CCCCCCC(C)O","6169-06-8","CCCCCCC(C)O","CCCCCCC(C)O",{"$nulls":4},130.135765196,"?"]
[3711,null,"6170-45-2",{"$nulls":7},""]
[3712,"CC(C)Nc1nc(N)nc(Cl)n1","6190-65-4","CC(C)Nc1nc(N)nc(Cl)n1","CC(C)Nc1nc(nc(n1)N)Cl",{"$nulls":4},187.06247299999998,"?"]
[3713,"CC(O)=O.OCCOc1ccccc1","6192-44-5","OCCOc1ccccc1","OCCOc1ccccc1","CC(O)=O",{"$nulls":3},198.089208928,"?"]
[3714,"CC(Cl)=CC(O)=O","6213-90-7","CC(Cl)=CC(=O)O","CC(Cl)=CC(=O)O",{"$nulls":4},119.99780708,"?"]
[3715,"CC(Cl)=CC(O)=O","6214-28-4","CC(Cl)=CC(=O)O","CC(Cl)=CC(=O)O",{"$nulls":4},119.99780708,"?"]
[3716,"OC(=O)C(S)CS","6220-25-3","O=C(O)C(S)CS","O=C(O)C(S)CS",{"$nulls":4},137.980921432,"?"]
[3717,"OC(=O)C[Se]CC(O)=O","6228-62-2","O=C(O)C[Se]CC(=O)O","O=C(O)C[Se]CC(=O)O",{"$nulls":4},197.943129972,"?"]
[3718,"ON=Cc1oc(cc1)[N+]([O-])=O","6236-05-1","O=[N+]([O-])c1ccc(C=NO)o1","O=[N+]([O-])c1oc(cc1)C=NO",{"$nulls":4},156.017106608,"?"]
[3719,"OC(=O)c1cc(ccc1O)n2nc3ccccc3n2","6245-33-6","O=C(O)c1cc(-n2nc3ccccc3n2)ccc1O","O=C(O)c1c(ccc(c1)-n2nc3c(n2)cccc3)O",{"$nulls":4},255.064391148,"?"]
[3720,"O=C1CCCCCN1C(=O)c2ccccc2","6248-28-8","O=C1CCCCCN1C(=O)c1ccccc1","O=C1N(CCCCC1)C(=O)c2ccccc2",{"$nulls":4},217.11027872,"?"]
[3721,"O=C1C=CC(C=C1)=NNc2ccc(N=Nc3ccccc3)c4ccccc24","6253-10-7","O=C1C=CC(=NNc2ccc(N=Nc3ccccc3)c3ccccc23)C=C1","O=C1C=CC(C=C1)=NNc2c3c(c(cc2)N=Nc4ccccc4)cccc3","C.I",{"$nulls":3},496.07600929200044,"?"]
[3722,"Oc1cc(cc(O)c1O)C(=O)Nc2ccccc2","6262-27-7","O=C(Nc1ccccc1)c1cc(O)c(O)c(O)c1","O=C(Nc1ccccc1)c2cc(c(c(c2)O)O)O",{"$nulls":4},245.068807832,"?"]
[3723,"CC1(C)C2CCC1(C)C(N)(C2)C(O)=O","6266-05-3","CC1(C)C2CCC1(C)C(N)(C(=O)O)C2","CC1(C2(CCC1CC2(N)C(=O)O)C)C",{"$nulls":4},197.141578848,"?"]
[3724,"Br.CCNCC","6274-12-0","Br","Br","CCNCC",{"$nulls":3},153.015311484,"?"]
[3725,"Cc1ccc(cc1N)[S](N)(=O)=O","6274-28-8","Cc1ccc(S(N)(=O)=O)cc1N","Cc1c(cc(cc1)S(N)(=O)=O)N",{"$nulls":4},186.04629856,"?"]
[3726,"CCCCCCCCNC(=O)C(C)O","6280-23-5","CCCCCCCCNC(=O)C(C)O","CCCCCCCCNC(=O)C(C)O",{"$nulls":4},201.172878976,"?"]
[3727,"CCCCCCCCCCNC(=O)C(C)O","6280-24-6","CCCCCCCCCCNC(=O)C(C)O","CCCCCCCCCCNC(=O)C(C)O",{"$nulls":4},229.204179104,"?"]
[3728,null,"6283-80-3",{"$nulls":7},""]
[3729,"CNC[CH](O)[CH](O)[CH](O)[CH](O)CO","6284-40-8","CNCC(O)C(O)C(O)C(O)CO","CNCC(O)C(O)C(O)C(O)CO",{"$nulls":4},195.110672644,"?"]
[3730,"COC(=O)C(C)OC(C)=O","6284-75-9","COC(=O)C(C)OC(C)=O","COC(=O)C(C)OC(C)=O",{"$nulls":4},146.0579088,"?"]
[3731,null,"6288-11-5",{"$nulls":7},""]
[3732,"OC(=O)CN(CCC#N)CCC#N","6295-23-4","N#CCCN(CCC#N)CC(=O)O","N#CCCN(CCC#N)CC(=O)O",{"$nulls":4},181.085126592,"?"]
[3733,"COc1cc2nccnc2c(N)c1OC","6295-30-3","COc1cc2nccnc2c(N)c1OC","COc1c(c(c2c(c1)nccn2)N)OC",{"$nulls":4},205.085126592,"?"]
[3734,"CN(C(N)=O)c1ccc(C)cc1","6305-07-3","Cc1ccc(N(C)C(N)=O)cc1","Cc1ccc(cc1)N(C)C(N)=O",{"$nulls":4},164.094963004,"?"]
[3735,"CC(C)CC(C)CO","6305-71-1","CC(C)CC(C)CO","CC(C)CC(C)CO",{"$nulls":4},116.120115132,"?"]
[3736,"NC(=O)c1ccc(cc1)[S](N)(=O)=O","6306-24-7","NC(=O)c1ccc(S(N)(=O)=O)cc1","NC(=O)c1ccc(cc1)S(N)(=O)=O",{"$nulls":4},200.025563116,"?"]
[3737,null,"6306-73-6",{"$nulls":7},""]
[3738,"Cc1[nH]cnc1[S](O)(=O)=O","6307-14-8","Cc1[nH]cnc1S(=O)(=O)O","Cc1c(nc[nH]1)S(=O)(=O)O",{"$nulls":4},162.009913052,"?"]
[3739,"Cc1ccc2NC(=O)C(=O)Nc2c1","6309-61-1","Cc1ccc2[nH]c(=O)c(=O)[nH]c2c1","Cc1cc2c(cc1)[nH]c(=O)c(=O)[nH]2",{"$nulls":4},176.058577496,"?"]
[3740,"OC(=O)c1ccc(Br)c(c1)[N+]([O-])=O","6319-40-0","O=C(O)c1ccc(Br)c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)Br)[N+](=O)[O-]",{"$nulls":4},244.932369708,"?"]
[3741,"CN1c2ccccc2C(O)(c3ccccc3)c4ccccc14","6321-72-8","CN1c2ccccc2C(O)(c2ccccc2)c2ccccc21","CN1c2c(C(c3c1cccc3)(O)c4ccccc4)cccc2",{"$nulls":4},287.1310141640005,"?"]
[3742,"CC1(CCCC=C1C(O)=O)C(O)=O","6321-87-5","CC1(C(=O)O)CCCC=C1C(=O)O","CC1(C(=CCCC1)C(=O)O)C(=O)O",{"$nulls":4},184.073558864,"?"]
[3743,null,"6328-87-6",{"$nulls":7},""]
[3744,"OC(=O)CC(N(CCC#N)CCC#N)C(O)=O","6328-90-1","N#CCCN(CCC#N)C(CC(=O)O)C(=O)O","N#CCCN(CCC#N)C(CC(=O)O)C(=O)O",{"$nulls":4},239.090605896,"?"]
[3745,"CN(C)C(=O)c1ccccc1C(=O)N(C)C","6329-16-4","CN(C)C(=O)c1ccccc1C(=O)N(C)C","CN(C)C(=O)c1c(cccc1)C(=O)N(C)C",{"$nulls":4},220.121177752,"?"]
[3746,"Cc1ccc(CC(O)=O)c(C)c1","6331-04-0","Cc1ccc(CC(=O)O)c(C)c1","Cc1cc(c(cc1)CC(=O)O)C",{"$nulls":4},164.083729624,"?"]
[3747,"COc1cc(CC=C)ccc1OCC(O)=O","6331-61-9","C=CCc1ccc(OCC(=O)O)c(OC)c1","C=CCc1cc(c(cc1)OCC(=O)O)OC",{"$nulls":4},222.089208928,"?"]
[3748,"CC=CC(=O)O[CH]1C[CH]2O[CH]3C=C(C)C(=O)C[C]3(C)[C]1(C)[C]24CO4","6379-69-7","CC=CC(=O)OC1CC2OC3C=C(C)C(=O)CC3(C)C1(C)C21CO1","CC=CC(=O)OC1C2(C3(C(OC(C1)C24OC4)C=C(C)C(=O)C3)C)C",{"$nulls":4},332.16237386800066,"?"]
[3749,"CCCCCOC(=O)C(C)O","6382-06-5","CCCCCOC(=O)C(C)O","CCCCCOC(=O)C(C)O",{"$nulls":4},160.109944372,"?"]
[3750,null,"6386-63-6",{"$nulls":7},""]
[3751,"CNC(=O)Oc1cc(C)c(N(CC=C)CC=C)c(C)c1","6392-46-7","C=CCN(CC=C)c1c(C)cc(OC(=O)NC)cc1C","C=CCN(CC=C)c1c(cc(cc1C)OC(=O)NC)C",{"$nulls":4},274.1681279440005,"?"]
[3752,null,"6409-48-9",{"$nulls":7},""]
[3753,"O[P](O)(=O)CN(C[P](O)(O)=O)C[P](O)(O)=O","6419-19-8","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O",{"$nulls":4},298.97249085400034,"?"]
[3754,"Clc1cccc(Nc2ccccc2)c1","6452-49-9","Clc1cccc(Nc2ccccc2)c1","Clc1cc(ccc1)Nc2ccccc2",{"$nulls":4},203.050177,"?"]
[3755,null,"6465-14-1",{"$nulls":7},""]
[3756,null,"6477-73-2",{"$nulls":7},""]
[3757,null,"6477-90-3",{"$nulls":7},""]
[3758,"CC(=C)[CH]1CC=C(C)C(=O)C1","6485-40-1","C=C(C)C1CC=C(C)C(=O)C1","C=C(C)C1CC(C(=CC1)C)=O",{"$nulls":4},150.104465068,"?"]
[3759,"Oc1ccc(cc1C(=O)Nc2ccc(Cl)cc2)[N+]([O-])=O","6490-98-8","O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O","O=C(Nc1ccc(cc1)Cl)c2c(ccc(c2)[N+](=O)[O-])O",{"$nulls":4},292.0250844480002,"?"]
[3760,"Oc1c(cccc1[N+]([O-])=O)C(=O)Nc2ccc(Cl)cc2","6490-99-9","O=C(Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1O","O=C(Nc1ccc(cc1)Cl)c2c(c(ccc2)[N+](=O)[O-])O",{"$nulls":4},292.02508444800026,"?"]
[3761,"CC(C)C(Br)C(=O)NC(C)C(O)=O","6491-36-7","CC(NC(=O)C(Br)C(C)C)C(=O)O","CC(NC(=O)C(Br)C(C)C)C(=O)O",{"$nulls":4},251.015705408,"?"]
[3762,"Cn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12","6493-05-6","CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O","CC(=O)CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",{"$nulls":4},278.1378904360005,"?"]
[3763,"CCCCCOC(=O)c1ccc(O)cc1","6521-29-5","CCCCCOC(=O)c1ccc(O)cc1","CCCCCOC(=O)c1ccc(cc1)O",{"$nulls":4},208.109944372,"?"]
[3764,"CC[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[C]2(O)C#C","6533-00-2","C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21CC","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)CC)O",{"$nulls":4},312.2089301360008,"?"]
[3765,"O=CCc1ccc2OCOc2c1","6543-34-6","O=CCc1ccc2c(c1)OCO2","O=CCc1cc2c(cc1)OCO2",{"$nulls":4},164.047344116,"?"]
[3766,null,"6566-40-1",{"$nulls":7},""]
[3767,"CCC[CH](N)C(O)=O","6600-40-4","CCCC(N)C(=O)O","CCCC(N)C(=O)O",{"$nulls":4},117.078978592,"?"]
[3768,null,"6616-80-4",{"$nulls":7},""]
[3769,"N[CH](CO)C(=O)N[CH](CO)C(O)=O","6620-95-7","NC(CO)C(=O)NC(CO)C(=O)O","NC(CO)C(=O)NC(CO)C(=O)O",{"$nulls":4},192.074621484,"?"]
[3770,null,"6622-23-7",{"$nulls":7},""]
[3771,"ON=C1CCCC1=NO","6635-29-6","ON=C1CCCC1=NO","ON=C1C(CCC1)=NO",{"$nulls":4},128.058577496,"?"]
[3772,"CC[S](=O)(=O)C(C)Br","6668-12-8","CCS(=O)(=O)C(C)Br","CCS(=O)(=O)C(C)Br",{"$nulls":4},199.950662628,"?"]
[3773,"CC1CCC(=O)N1c2ccccc2","6724-71-6","CC1CCC(=O)N1c1ccccc1","CC1N(C(CC1)=O)c2ccccc2",{"$nulls":4},175.099714036,"?"]
[3774,null,"6731-36-8",{"$nulls":7},""]
[3775,null,"6744-85-0",{"$nulls":7},""]
[3776,"CC(C)OC(=O)c1cccc(c1C([O-])=O)[N+]([O-])=O","6744-86-1","CC(C)OC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-]","CC(C)OC(=O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O",{"$nulls":4},252.05081204,"Structure has been neutralized"]
[3777,"CC(C)OC(=O)c1c(cccc1[N+]([O-])=O)C([O-])=O","6744-87-2","CC(C)OC(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-]","CC(C)OC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",{"$nulls":4},252.05081204,"Structure has been neutralized"]
[3778,"CC(C)(C)OC(=O)c1cccc(c1C([O-])=O)[N+]([O-])=O","6744-88-3","CC(C)(C)OC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-]","CC(C)(C)OC(=O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O",{"$nulls":4},266.06646210400027,"Structure has been neutralized"]
[3779,"CC(C)CCOC(=O)c1cccc(c1C([O-])=O)[N+]([O-])=O","6744-92-9","CC(C)CCOC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-]","CC(C)CCOC(=O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O",{"$nulls":4},280.0821121680004,"Structure has been neutralized"]
[3780,"Cc1cc(C)c(c(C)c1)[PH](O)=O","6781-97-1","Cc1cc(C)c([PH](=O)O)c(C)c1","Cc1cc(c(c(c1)C)P(=O)O)C",{"$nulls":4},184.065316286,"?"]
[3781,"CCC(C)OC","6795-87-5","CCC(C)OC","CCC(C)OC",{"$nulls":4},88.088815004,"?"]
[3782,"OCC(CO)OCC=C","6806-76-4","C=CCOC(CO)CO","C=CCOC(CO)CO",{"$nulls":4},132.078644244,"?"]
[3783,"CN(C(=N)N[N+]([O-])=O)[N+]([O-])=O","6810-09-9","CN(C(=N)N[N+](=O)[O-])[N+](=O)[O-]","CN(C(=N)N[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},163.03415364,"?"]
[3784,"CCC(C)NC(N)=S","6814-99-9","CCC(C)NC(N)=S","CCC(C)NC(N)=S",{"$nulls":4},132.072119384,"?"]
[3785,null,"6828-46-2",{"$nulls":7},""]
[3786,"CCC(C)OC(=O)c1cccc(c1C([O-])=O)[N+]([O-])=O","6828-47-3","CCC(C)OC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-]","CCC(C)OC(=O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O",{"$nulls":4},266.06646210400027,"Structure has been neutralized"]
[3787,null,"6842-62-2",{"$nulls":7},""]
[3788,"C[CH]1CCCC[CH]1C","6876-23-9","CC1CCCCC1C","CC1C(CCCC1)C",{"$nulls":4},112.12520051199999,"?"]
[3789,"N[CH](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O","6893-02-3","NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)Oc2cc(c(cc2)O)I)I)C(=O)O",{"$nulls":4},650.7900518640004,"?"]
[3790,"N[CH](CCC(O)=O)C(O)=O","6893-26-1","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",{"$nulls":4},147.053157768,"?"]
[3791,"N[CH](CO)C(O)=O","6898-95-9","NC(CO)C(=O)O","NC(CO)C(=O)O",{"$nulls":4},105.042593084,"?"]
[3792,"N[CH](CCC(O)=O)C(O)=O","6899-05-4","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",{"$nulls":4},147.053157768,"?"]
[3793,"Clc1ccc(Oc2ccccc2Cl)cc1","6903-65-7","Clc1ccc(Oc2ccccc2Cl)cc1","Clc1ccc(cc1)Oc2c(cccc2)Cl",{"$nulls":4},237.995220236,"?"]
[3794,"CC(=O)NC(NC(C)=O)c1ccccc1","6907-68-2","CC(=O)NC(NC(C)=O)c1ccccc1","CC(=O)NC(NC(C)=O)c1ccccc1",{"$nulls":4},206.105527688,"?"]
[3795,null,"6912-98-7",{"$nulls":7},""]
[3796,"OC(CC(O)=O)C(O)=O","6915-15-7","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O",{"$nulls":4},134.021523292,"?"]
[3797,"CNC(=O)C=C(C)O[P](=O)(OC)OC","6923-22-4","CNC(=O)C=C(C)OP(=O)(OC)OC","CNC(=O)C=C(C)OP(=O)(OC)OC",{"$nulls":4},223.060959178,"?"]
[3798,"COc1c(Cl)c(Cl)cc(Cl)c1Cl","6936-40-9","COc1c(Cl)c(Cl)cc(Cl)c1Cl","COc1c(c(cc(c1Cl)Cl)Cl)Cl",{"$nulls":4},243.901625468,"?"]
[3799,"NC(=O)NN=C[CH](O)[CH](O)[CH](O)[CH](O)CO","6936-69-2","NC(=O)NN=CC(O)C(O)C(O)C(O)CO","NC(=O)NN=CC(O)C(O)C(O)C(O)CO",{"$nulls":4},237.0960852,"?"]
[3800,"CCCCOC(=O)c1cccnc1","6938-06-3",null,null,"CCCCOC(=O)c1cccnc1",{"$nulls":3},636.8795355640002,"?"]
[3801,"CC(SC(C)C(N)=O)C(N)=O","6944-30-5","CC(SC(C)C(N)=O)C(N)=O","CC(SC(C)C(N)=O)C(N)=O",{"$nulls":4},176.061948624,"?"]
[3802,"OCCCO.OC(=O)c1ccccc1","6946-99-2","O=C(O)c1ccccc1","O=C(O)c1ccccc1","OCCCO",{"$nulls":3},198.089208928,"?"]
[3803,"CC(=O)CC(=O)OC1CCCCC1","6947-02-0","CC(=O)CC(=O)OC1CCCCC1","CC(=O)CC(=O)OC1CCCCC1",{"$nulls":4},184.109944372,"?"]
[3804,"CSc1ncnc2nccnc12","6966-78-5","CSc1ncnc2nccnc12","CSc1c2c(ncn1)nccn2",{"$nulls":4},178.031317192,"?"]
[3805,"CNC(=O)Oc1ccccc1C2OCCO2","6988-21-2","CNC(=O)Oc1ccccc1C1OCCO1","CNC(=O)Oc1c(cccc1)C2OCCO2",{"$nulls":4},223.084457896,"?"]
[3806,"CC[CH](C)[CH](N)C(O)=O","7004-09-3","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[3807,"CN(C)C(C)(C)CO","7005-47-2","CN(C)C(C)(C)CO","CN(C)C(C)(C)CO",{"$nulls":4},117.1153641,"?"]
[3808,"Clc1ccc(Oc2ccccc2)cc1","7005-72-3","Clc1ccc(Oc2ccccc2)cc1","Clc1ccc(cc1)Oc2ccccc2",{"$nulls":4},204.034192588,"?"]
[3809,"N[CH](CC(N)=O)C(O)=O","7006-34-0","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O",{"$nulls":4},132.053492116,"?"]
[3810,"Clc1ccc(cc1)c2ccc(Cl)cc2Cl","7012-37-5","Clc1ccc(-c2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(cc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[3811,null,"7029-96-1",{"$nulls":7},""]
[3812,"CCCCNCN=O","7068-83-9","CCCCNCN=O","CCCCNCN=O",{"$nulls":4},116.094963004,"?"]
[3813,"CC(C)c1ccccc1Br","7073-94-1","CC(C)c1ccccc1Br","CC(C)c1c(cccc1)Br",{"$nulls":4},198.004412452,"?"]
[3814,"CC(Oc1ccc(Cl)cc1C)C(O)=O","7085-19-0","Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",{"$nulls":4},214.039671892,"?"]
[3815,"CCCC[P](=O)(CCCC)OCC","7100-92-7","CCCCP(=O)(CCCC)OCC","CCCCP(=O)(CCCC)OCC",{"$nulls":4},206.14356660599998,"?"]
[3816,"Nc1ccc(cc1)[S](=O)(=O)c2ccc(Cl)cc2","7146-68-1","Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)Cl",{"$nulls":4},267.0120772400003,"?"]
[3817,"Cc1cc(O)c(cc1Cl)[N+]([O-])=O","7147-89-9","Cc1cc(O)c([N+](=O)[O-])cc1Cl","Cc1c(cc(c(c1)O)[N+](=O)[O-])Cl",{"$nulls":4},187.003620732,"?"]
[3818,null,"7159-34-4",{"$nulls":7},""]
[3819,"CCOc1ccc(cc1)N(C(C)=O)C(C)=O","7174-45-0","CCOc1ccc(N(C(C)=O)C(C)=O)cc1","CCOc1ccc(cc1)N(C(C)=O)C(C)=O",{"$nulls":4},221.10519334,"?"]
[3820,"CCCCO[P](=O)(OCC)OCCCC","7242-58-2","CCCCOP(=O)(OCC)OCCCC","CCCCOP(=O)(OCC)OCCCC",{"$nulls":4},238.13339584599998,"?"]
[3821,"CCCCO[P](=O)(OC)OCCCC","7242-59-3","CCCCOP(=O)(OC)OCCCC","CCCCOP(=O)(OC)OCCCC",{"$nulls":4},224.117745782,"?"]
[3822,"OC(=O)c1cccc2ncccc12","7250-53-5","O=C(O)c1cccc2ncccc12","O=C(O)c1c2c(ccc1)nccc2",{"$nulls":4},173.047678464,"?"]
[3823,"O[CH](CCl)[CH](O)[CH](O)[CH](O)CCl","7251-85-6","OC(CCl)C(O)C(O)C(O)CCl","OC(CCl)C(O)C(O)C(O)CCl",{"$nulls":4},218.011264224,"?"]
[3824,"COC(=O)c1cc(Cl)cc(N)c1Cl","7286-84-2","COC(=O)c1cc(Cl)cc(N)c1Cl","COC(=O)c1c(c(cc(c1)Cl)N)Cl",{"$nulls":4},218.985383824,"?"]
[3825,"CSc1nc(NC(C)C)nc(NC(C)C)n1","7287-19-6","CSc1nc(NC(C)C)nc(NC(C)C)n1","CSc1nc(nc(n1)NC(C)C)NC(C)C",{"$nulls":4},241.13611660799998,"?"]
[3826,null,"7287-36-7",{"$nulls":7},""]
[3827,null,"7288-32-6",{"$nulls":7},""]
[3828,"CCCO[P](=O)(OCCC)Oc1ccc(SC)cc1","7292-16-2","CCCOP(=O)(OCCC)Oc1ccc(SC)cc1","CCCOP(=O)(OCCC)Oc1ccc(cc1)SC",{"$nulls":4},304.0898167820006,"?"]
[3829,"CCC(C)(O)C(C)(C)C","7294-05-5","CCC(C)(O)C(C)(C)C","CCC(C)(O)C(C)(C)C",{"$nulls":4},130.135765196,"?"]
[3830,"CN(C)C(=O)CCC(=O)N(C)C","7334-51-2","CN(C)C(=O)CCC(=O)N(C)C","CN(C)C(=O)CCC(=O)N(C)C",{"$nulls":4},172.121177752,"?"]
[3831,"CC(SC(C)=CC(O)=O)=CC(O)=O","7345-19-9","CC(=CC(=O)O)SC(C)=CC(=O)O","CC(=CC(=O)O)SC(C)=CC(=O)O",{"$nulls":4},202.0299798,"?"]
[3832,"OC(=O)C(NC(=O)c1ccccc1)c2ccccc2","7352-07-0","O=C(NC(C(=O)O)c1ccccc1)c1ccccc1","O=C(NC(C(=O)O)c1ccccc1)c2ccccc2",{"$nulls":4},255.089543276,"?"]
[3833,"OC(=O)CC[Se][Se]CCC(O)=O","7370-58-3","O=C(O)CC[Se][Se]CCC(=O)O","O=C(O)CC[Se][Se]CCC(=O)O",{"$nulls":4},305.89095140000023,"?"]
[3834,"CC(C)Nc1nc(O)nc(NC(C)C)n1","7374-53-0","CC(C)Nc1nc(O)nc(NC(C)C)n1","CC(C)Nc1nc(nc(n1)O)NC(C)C",{"$nulls":4},211.14331016399998,"?"]
[3835,"OCN1CC(=O)N(CO)CC1=O","7383-56-4","O=C1CN(CO)C(=O)CN1CO","O=C1N(CC(N(C1)CO)=O)CO",{"$nulls":4},174.0640568,"?"]
[3836,null,"7391-69-7",{"$nulls":7},""]
[3837,"O[P](O)(=O)c1cccc2ccccc12","7402-93-9","O=P(O)(O)c1cccc2ccccc12","O=P(O)(O)c1c2c(ccc1)cccc2",{"$nulls":4},208.028930778,"?"]
[3838,"Oc1cccc2scnc12","7405-23-4","Oc1cccc2scnc12","Oc1c2c(ccc1)scn2",{"$nulls":4},151.00918478,"?"]
[3839,"O=[P](Oc1ccccc1)(Oc2ccccc2)N3CCOCC3","7412-25-1","O=P(Oc1ccccc1)(Oc1ccccc1)N1CCOCC1","O=P(Oc1ccccc1)(Oc2ccccc2)N3CCOCC3",{"$nulls":4},319.0973446860005,"?"]
[3840,"CN(N=O)C(C)=O","7417-67-6","CC(=O)N(C)N=O","CC(=O)N(C)N=O",{"$nulls":4},102.042927432,"?"]
[3841,"ClC1(Cl)C2(Cl)C3C(CC4C3C1(Cl)C5(Cl)C4C25Cl)C=O","7421-93-4","O=CC1CC2C3C1C1(Cl)C(Cl)(Cl)C3(Cl)C3(Cl)C2C13Cl","O=CC1C2C3C(C1)C4C5(C3(C(C2(C54Cl)Cl)(Cl)Cl)Cl)Cl",{"$nulls":4},377.8706309560002,"?"]
[3842,"O=[S]=O","7446-09-5","O=S=O","O=S=O",{"$nulls":4},63.961900240000006,"?"]
[3843,"CCNc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","7449-27-6","CCNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","CCNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},256.044383976,"?"]
[3844,"CC(=O)Nc1cccc(c1)C(C)=O","7463-31-2","CC(=O)Nc1cccc(C(C)=O)c1","CC(=O)Nc1cc(ccc1)C(C)=O",{"$nulls":4},177.078978592,"?"]
[3845,"Nc1sc2cccc(O)c2n1","7471-03-6","Nc1nc2c(O)cccc2s1","Nc1sc2c(n1)c(O)ccc2",{"$nulls":4},166.020083812,"?"]
[3846,null,"7473-09-8",{"$nulls":7},""]
[3847,null,"7475-29-8",{"$nulls":7},""]
[3848,"NC1=NC(=O)N(C=C1)[CH]2CC[CH](CO)O2","7481-89-2","Nc1ccn(C2CCC(CO)O2)c(=O)n1","Nc1nc(n(cc1)C2OC(CC2)CO)=O",{"$nulls":4},211.095691276,"?"]
[3849,"Cc1c2ccc3ccccc3c2cc4ccc(F)cc14","7496-10-8","Cc1c2cc(F)ccc2cc2c1ccc1ccccc12","Cc1c2c(cc3c1cc(F)cc3)c4c(cc2)cccc4",{"$nulls":4},260.10012863600014,"?"]
[3850,"COC1(C)COC(C)(CO1)OC","7504-90-7","COC1(C)COC(C)(OC)CO1","COC1(OCC(OC1)(C)OC)C",{"$nulls":4},176.104858992,"?"]
[3851,"COc1cc(C=CC)ccc1OCC(O)=O","7510-46-5","CC=Cc1ccc(OCC(=O)O)c(OC)c1","CC=Cc1cc(c(cc1)OCC(=O)O)OC",{"$nulls":4},222.089208928,"?"]
[3852,null,"7517-39-7",{"$nulls":7},""]
[3853,"O=C1CCCCCCCCCCCCN1","7518-64-1","O=C1CCCCCCCCCCCCN1","O=C1NCCCCCCCCCCCC1",{"$nulls":4},211.19361442,"?"]
[3854,"OCc1cc(Cl)c(Cl)c(Cl)c1","7520-67-4","OCc1cc(Cl)c(Cl)c(Cl)c1","OCc1cc(c(c(c1)Cl)Cl)Cl",{"$nulls":4},209.94059782,"?"]
[3855,null,"7525-08-8",{"$nulls":7},""]
[3856,"[I]","7553-56-2","[I]","I",{"$nulls":4},126.904473,"?"]
[3857,"Oc1cccc2cncnc12","7557-02-0","Oc1cccc2cncnc12","Oc1c2c(ccc1)cncn2",{"$nulls":4},146.048012812,"?"]
[3858,null,"7558-80-7",{"$nulls":7},""]
[3859,"CCCCS[S](=O)CCCC","7559-55-9","CCCCSS(=O)CCCC","CCCCSS(=O)CCCC",{"$nulls":4},194.079907196,"?"]
[3860,"NCC(O)c1ccccc1","7568-93-6","NCC(O)c1ccccc1","NCC(O)c1ccccc1",{"$nulls":4},137.084063972,"?"]
[3861,"CC(Cl)C(C)Cl","7581-97-7","CC(Cl)C(C)Cl","CC(Cl)C(C)Cl",{"$nulls":4},126.00030561599999,"?"]
[3862,"ON(C(=O)c1occc1)c2ccccc2","7630-14-0","O=C(c1ccco1)N(O)c1ccccc1","O=C(c1occc1)N(O)c2ccccc2",{"$nulls":4},203.058243148,"?"]
[3863,"F","7664-39-3","F","F",{"$nulls":4},20.006228252,"?"]
[3864,"O[S](O)(=O)=O","7664-93-9","O=S(=O)(O)O","O=S(=O)(O)O",{"$nulls":4},97.96737954400001,"?"]
[3865,null,"7668-23-7",{"$nulls":7},""]
[3866,"NC1=N[S](=O)(=O)c2ccccc12","7668-28-2","NC1=NS(=O)(=O)c2ccccc21","NC=1c2c(S(N1)(=O)=O)cccc2",{"$nulls":4},182.014998432,"?"]
[3867,"CCCOC(=O)c1cccnc1","7681-15-4",null,null,"CCCOC(=O)c1cccnc1",{"$nulls":3},622.8638855000003,"?"]
[3868,"Cn1c(COC(N)=O)ncc1[N+]([O-])=O","7681-76-7","Cn1c([N+](=O)[O-])cnc1COC(N)=O","Cn1c(ncc1[N+](=O)[O-])COC(N)=O",{"$nulls":4},200.054554736,"?"]
[3869,null,"7681-93-8",{"$nulls":7},""]
[3870,"CCCCC(NC(C)=O)C(O)=O","7682-16-8","CCCCC(NC(C)=O)C(=O)O","CCCCC(NC(C)=O)C(=O)O",{"$nulls":4},173.10519334,"?"]
[3871,"CC(C)=C[CH]1[CH](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C","7696-12-0","CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C","CC(C)=CC1C(C1C(=O)OCN2C(C3=C(C2=O)CCCC3)=O)(C)C",{"$nulls":4},331.1783582800007,"?"]
[3872,"CO[P](=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1","7700-17-6","COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1","COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1",{"$nulls":4},314.09192495800056,"?"]
[3873,"OC(=O)c1c(Cl)ccc2ccccc12","7720-42-5","O=C(O)c1c(Cl)ccc2ccccc12","O=C(O)c1c2c(ccc1Cl)cccc2",{"$nulls":4},206.013457144,"?"]
[3874,"OO","7722-84-1","OO","OO",{"$nulls":4},34.005479304,"?"]
[3875,"[Na+].[Na+].[Na+].[Na+].[O-][P]([O-])(=O)O[P]([O-])([O-])=O","7722-88-5","O=P([O-])([O-])OP(=O)([O-])[O-]","O=P(O)(O)OP(=O)(O)O","[Na+]","[Na+]","[Na+]","[Na+]",265.87100272000004,"Structure has been neutralized"]
[3876,"[Br]","7726-95-6","[Br]","Br",{"$nulls":4},78.9183371,"?"]
[3877,"[NH2]","7727-37-9","[NH2]","[NH2]",{"$nulls":4},16.018724064,"Errors in neutralization"]
[3878,"[K+].[O-][I](=O)=O","7758-05-6","[O-][I+2]([O-])[O-]","[O-][I+2]([O-])[O-]","[K+]",{"$nulls":3},213.85292354,"Errors in neutralization"]
[3879,"O.O.O.O.O.[Cu++].[O-][S]([O-])(=O)=O","7758-99-8","O=S(=O)([O-])[O-]","O=S(=O)(O)O","[Cu+2]","O","O","O",248.9341504,"Structure has been neutralized","O"]
[3880,"CC1CCC(CC1=O)C(C)=C","7764-50-3","C=C(C)C1CCC(C)C(=O)C1","C=C(C)C1CC(C(CC1)C)=O",{"$nulls":4},152.120115132,"?"]
[3881,"O[As](O)(O)=O","7778-39-4","O=[As](O)(O)O","O=[As](O)(O)O",{"$nulls":4},141.924730076,"?"]
[3882,"O","7782-44-7","O","O",{"$nulls":4},18.010564684,"?"]
[3883,"[Cl]","7782-50-5","[Cl]","Cl",{"$nulls":4},34.96885268,"?"]
[3884,"S","7783-06-4","S","S",{"$nulls":4},33.987721064,"?"]
[3885,"COC(=O)C=C(C)O[P](=O)(OC)OC","7786-34-7","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",{"$nulls":4},224.044974766,"?"]
[3886,"CCC(Cl)(Cl)Cl","7789-89-1","CCC(Cl)(Cl)Cl","CCC(Cl)(Cl)Cl",{"$nulls":4},145.9456832,"?"]
[3887,"CC(=C)C1CCC(C)(O)CC1.CC2=CCC(CC2)C(C)(C)O","8000-41-7","C=C(C)C1CCC(C)(O)CC1","C=C(C)C1CCC(CC1)(C)O","CC1=CCC(CC1)C(C)(C)O",{"$nulls":3},308.271530392,"?"]
[3888,"CCO[P](=O)(OCC)SCCSCC.CCO[P](=S)(OCC)OCCSCC","8000-97-3","CCOP(=O)(OCC)SCCSCC","CCOP(=O)(OCC)SCCSCC","CCOP(=S)(OCC)OCCSCC",{"$nulls":3},516.1026461960001,"?"]
[3889,"[Cl-].C[n+]1c2cc(N)ccc2cc3ccc(N)cc13.Nc4ccc5cc6ccc(N)cc6nc5c4","8048-52-0","C[n+]1c2cc(N)ccc2cc2ccc(N)cc21","C[n+]1c2c(cc3c1cc(N)cc3)ccc(N)c2","Nc1ccc2cc3ccc(N)cc3nc2c1","[Cl-]",null,null,468.18292248,"?"]
[3890,"CCCC(C)c1cccc(OC(=O)NC)c1.CCC(CC)c2cccc(OC(=O)NC)c2","8065-36-9","CCCC(C)c1cccc(OC(=O)NC)c1","CCCC(C)c1cc(ccc1)OC(=O)NC","CCC(CC)c1cccc(OC(=O)NC)c1",{"$nulls":3},442.283157696,"?"]
[3891,null,"9004-57-3",{"$nulls":7},""]
[3892,"Cc1onc(O)c1","10004-44-1","Cc1cc(O)no1","Cc1onc(c1)O",{"$nulls":4},99.0320284,"?"]
[3893,"CCCCCCCCOCCO","10020-43-6","CCCCCCCCOCCO","CCCCCCCCOCCO",{"$nulls":4},174.161979944,"?"]
[3894,"CC(C)[CH](O)C#N","10021-64-4","CC(C)C(O)C#N","CC(C)C(O)C#N",{"$nulls":4},99.068413908,"?"]
[3895,"CCC(O)=O.CCC(O)=O.OCCCCCO","10025-09-9","OCCCCCO","OCCCCCO","CCC(O)=O","CCC(O)=O",null,null,252.157288488,"?"]
[3896,"CCC(CC)CO.CC(O)=O","10031-87-5","CCC(CC)CO","CCC(CC)CO","CC(O)=O",{"$nulls":3},162.125594436,"?"]
[3897,"CCCCCCCCCCCCN1CC(CC1=O)C(O)=O","10054-21-4","CCCCCCCCCCCCN1CC(C(=O)O)CC1=O","CCCCCCCCCCCCN1C(CC(C1)C(=O)O)=O",{"$nulls":4},297.2303938520009,"?"]
[3898,null,"10061-01-5",{"$nulls":7},""]
[3899,null,"10061-02-6",{"$nulls":7},""]
[3900,"CC(C)c1ccc(CCO)cc1","10099-57-7","CC(C)c1ccc(CCO)cc1","CC(C)c1ccc(cc1)CCO",{"$nulls":4},164.120115132,"?"]
[3901,"CCC(C)N1C(=O)c2ccccc2C1=O","10108-61-9","CCC(C)N1C(=O)c2ccccc2C1=O","CCC(C)N1C(c2c(C1=O)cccc2)=O",{"$nulls":4},203.094628656,"?"]
[3902,null,"10118-90-8",{"$nulls":7},""]
[3903,"CCCN(CCC)C(=O)CCC(=O)OCC","10143-31-4","CCCN(CCC)C(=O)CCC(=O)OCC","CCCN(CCC)C(=O)CCC(=O)OCC",{"$nulls":4},229.167793596,"?"]
[3904,"CC1CC1(C(O)=O)C(O)=O","10180-00-4","CC1CC1(C(=O)O)C(=O)O","CC1C(C1)(C(=O)O)C(=O)O",{"$nulls":4},144.042258736,"?"]
[3905,"OC(=O)CC(C(O)=O)(c1ccccc1)c2ccccc2","10186-26-2","O=C(O)CC(C(=O)O)(c1ccccc1)c1ccccc1","O=C(O)CC(C(=O)O)(c1ccccc1)c2ccccc2",{"$nulls":4},270.0892089280004,"?"]
[3906,"NC(=O)C(Br)(Br)C#N","10222-01-2","N#CC(Br)(Br)C(N)=O","N#CC(Br)(Br)C(N)=O",{"$nulls":4},239.853386884,"?"]
[3907,"COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)[S](=O)(=O)NC(=O)NC3CCCCC3","10238-21-8","COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3",{"$nulls":4},493.14381967600076,"?"]
[3908,"CO[P](N)(=O)SC","10265-92-6","COP(N)(=O)SC","COP(N)(=O)SC",{"$nulls":4},141.001336126,"?"]
[3909,null,"10290-01-4",{"$nulls":7},""]
[3910,"CCO[P](=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O","10311-84-9","CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O","CCOP(=S)(OCC)SC(CCl)N1C(c2c(C1=O)cccc2)=O",{"$nulls":4},393.0025143340004,"?"]
[3911,"CC(C)CN1CCOCC1","10315-98-7","CC(C)CN1CCOCC1","CC(C)CN1CCOCC1",{"$nulls":4},143.131014164,"?"]
[3912,"CC(=O)N[CH](Cc1cc(Br)c(O)c(Br)c1)C(O)=O","10346-50-6","CC(=O)NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)O","CC(=O)NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O",{"$nulls":4},378.90548203200024,"?"]
[3913,null,"10349-01-6",{"$nulls":7},""]
[3914,"OC(=O)c1ccc2ncccc2c1","10349-57-2","O=C(O)c1ccc2ncccc2c1","O=C(O)c1cc2c(cc1)nccc2",{"$nulls":4},173.047678464,"?"]
[3915,"O=C(NC1CCCCC1)c2cccnc2","10354-56-0","O=C(NC1CCCCC1)c1cccnc1","O=C(NC1CCCCC1)c2cnccc2",{"$nulls":4},204.126263132,"?"]
[3916,"CC1(C)C2CCC1(C)C(=O)C2O","10373-81-6","CC12CCC(C(O)C1=O)C2(C)C","CC12C(C(C(CC1)C2(C)C)O)=O",{"$nulls":4},168.115029752,"?"]
[3917,"Nc1cc(ccc1Br)[N+]([O-])=O","10403-47-1","Nc1cc([N+](=O)[O-])ccc1Br","Nc1c(ccc(c1)[N+](=O)[O-])Br",{"$nulls":4},215.9534395,"?"]
[3918,null,"10408-17-0",{"$nulls":7},""]
[3919,"CCCCCCCCOCC(O)CO","10438-94-5","CCCCCCCCOCC(O)CO","CCCCCCCCOCC(O)CO",{"$nulls":4},204.172544628,"?"]
[3920,null,"10443-70-6",{"$nulls":7},""]
[3921,"CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","10453-86-8","CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C",{"$nulls":4},338.1881946920007,"?"]
[3922,"OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3","10457-90-6","O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Br)c3ccc(cc3)F",{"$nulls":4},419.0896192960007,"?"]
[3923,"Cc1c(Cl)c(O)c(Cl)c(Cl)c1Cl","10460-33-0","Cc1c(Cl)c(O)c(Cl)c(Cl)c1Cl","Cc1c(c(c(c(c1Cl)O)Cl)Cl)Cl",{"$nulls":4},243.901625468,"?"]
[3924,"CCO[P](=O)(OC)OC","10463-05-5","CCOP(=O)(OC)OC","CCOP(=O)(OC)OC",{"$nulls":4},154.039495462,"?"]
[3925,"CC(=C)C(C)(C)O","10473-13-9","C=C(C)C(C)(C)O","C=C(C)C(C)(C)O",{"$nulls":4},100.088815004,"?"]
[3926,"CCO[P](=S)(OCC)SC[S](=O)C(C)(C)C","10548-10-4","CCOP(=S)(OCC)SCS(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)C(C)(C)C",{"$nulls":4},304.03904416200055,"?"]
[3927,"CC(C)OC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)OC(C)C","10552-74-6","CC(C)OC(=O)c1cc(C(=O)OC(C)C)cc([N+](=O)[O-])c1","CC(C)OC(=O)c1cc(cc(c1)C(=O)OC(C)C)[N+](=O)[O-]",{"$nulls":4},295.1055872640005,"?"]
[3928,null,"10571-73-0",{"$nulls":7},""]
[3929,null,"10595-95-6",{"$nulls":7},""]
[3930,"SC(=O)CCCCC(S)=O","10604-70-3","O=C(S)CCCCC(=O)S","O=C(S)CCCCC(=O)S",{"$nulls":4},178.01222156,"?"]
[3931,null,"11039-70-6",{"$nulls":7},""]
[3932,"Clc1ccc(c(Cl)c1Cl)c2ccc(Cl)c(Cl)c2Cl","11096-82-5","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[3933,"Clc1cccc(c1Cl)c2ccc(Cl)c(Cl)c2Cl","11097-69-1","Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[3934,null,"11104-28-2",{"$nulls":7},""]
[3935,null,"11141-16-5",{"$nulls":7},""]
[3936,null,"11141-17-6",{"$nulls":7},""]
[3937,"O[P](O)(=O)CCCl","11672-87-0","O=P(O)(O)CCCl","O=P(O)(O)CCCl",{"$nulls":4},143.974308362,"?"]
[3938,"Clc1cccc(Cl)c1Cl","12002-48-1","Clc1cccc(Cl)c1Cl","Clc1c(c(ccc1)Cl)Cl",{"$nulls":4},179.930033136,"?"]
[3939,"C[Mn]C1=CC=CC1","12108-13-3","C[Mn]C1=CC=CC1","C[Mn]C=1CC=CC1",{"$nulls":4},135.000645356,"?"]
[3940,"CCOc1cc(N=Nc2cc(cc(c2Br)[N+]([O-])=O)[N+]([O-])=O)c(NC(C)=O)cc1N(CCOC(C)=O)CCOC(C)=O","12239-34-8","CCOc1cc(N=Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Br)c(NC(C)=O)cc1N(CCOC(C)=O)CCOC(C)=O","CCOc1c(cc(c(c1)N=Nc2c(c(cc(c2)[N+](=O)[O-])[N+](=O)[O-])Br)NC(C)=O)N(CCOC(C)=O)CCOC(C)=O",{"$nulls":4},638.0972031640008,"?"]
[3941,"CNC(=O)Oc1cc(C)cc(C)c1C","12407-86-2","CNC(=O)Oc1cc(C)cc(C)c1C","CNC(=O)Oc1c(c(cc(c1)C)C)C",{"$nulls":4},193.11027872,"?"]
[3942,"Clc1cc(Cl)cc(c1)c2cc(Cl)cc(Cl)c2","12672-29-6","Clc1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[3943,"Clc1cccc(c1)c2cc(Cl)cc(Cl)c2","12674-11-2","Clc1cccc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(ccc1)-c2cc(cc(c2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[3944,"OC(=O)CC[Ge](=O)O[Ge](=O)CCC(O)=O","12758-40-6","O=C(O)CC[Ge](=O)O[Ge](=O)CCC(=O)O","O=C(O)CC[Ge](=O)O[Ge](=O)CCC(=O)O",{"$nulls":4},341.88500826000023,"?"]
[3945,"COc1ccc(cc1)C(O)(C2CC2)c3cncnc3","12771-68-5","COc1ccc(C(O)(c2cncnc2)C2CC2)cc1","COc1ccc(cc1)C(O)(c2cncnc2)C3CC3",{"$nulls":4},256.121177752,"?"]
[3946,"CC(C)OCC(O)COC(C)C","13021-54-0","CC(C)OCC(O)COC(C)C","CC(C)OCC(O)COC(C)C",{"$nulls":4},176.1412445,"?"]
[3947,"CC(C)CC(C)OCC(O)CO","13021-58-4","CC(C)CC(C)OCC(O)CO","CC(C)CC(C)OCC(O)CO",{"$nulls":4},176.1412445,"?"]
[3948,null,"13027-07-1",{"$nulls":7},""]
[3949,"Clc1ccccc1c2ccccc2Cl","13029-08-8","Clc1ccccc1-c1ccccc1Cl","Clc1c(cccc1)-c2c(cccc2)Cl",{"$nulls":4},222.000305616,"?"]
[3950,"CCO[P](=S)(Oc1ccc(cc1)C#N)c2ccccc2","13067-93-1","CCOP(=S)(Oc1ccc(C#N)cc1)c1ccccc1","CCOP(=S)(Oc1ccc(cc1)C#N)c2ccccc2",{"$nulls":4},303.04828631800035,"?"]
[3951,"CCO[P](=S)(OCC)SCSC(C)(C)C","13071-79-9","CCOP(=S)(OCC)SCSC(C)(C)C","CCOP(=S)(OCC)SCSC(C)(C)C",{"$nulls":4},288.0441295420006,"?"]
[3952,null,"13110-37-7",{"$nulls":7},""]
[3953,"CC(=O)c1ccc(O)c(c1)C(O)=O","13110-96-8","CC(=O)c1ccc(O)c(C(=O)O)c1","CC(=O)c1cc(c(cc1)O)C(=O)O",{"$nulls":4},180.042258736,"?"]
[3954,"ClCC(Cl)(Cl)CCl","13116-53-5","ClCC(Cl)(Cl)CCl","ClCC(Cl)(Cl)CCl",{"$nulls":4},179.906710848,"?"]
[3955,"COC1[CH](O)C(CO[CH]2C(O)C[CH](O)OC2C)O[CH](O[CH]3CC[C]4(C)C5CC[C]6(C)[CH](CC[C]6(O)C5CC[C]4(O)C3)C7=CC(=O)OC7)C1O","13137-64-9","COC1C(O)C(COC2C(O)CC(O)OC2C)OC(OC2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C1O","COC1C(C(OC(C1O)COC2C(OC(CC2O)O)C)OC3CC4(C(CC3)(C)C5C(C6(C(CC5)(C)C(C=7COC(C7)=O)CC6)O)CC4)O)O",{"$nulls":4},696.3720918520016,"?"]
[3956,"CC1=C(CCCC1)C(O)=O","13148-94-2","CC1=C(C(=O)O)CCCC1","CC=1CCCCC1C(=O)O",{"$nulls":4},140.083729624,"?"]
[3957,"CN(C)C(=O)c1ccc(cc1)C(=O)N(C)C","13158-31-1","CN(C)C(=O)c1ccc(C(=O)N(C)C)cc1","CN(C)C(=O)c1ccc(cc1)C(=O)N(C)C",{"$nulls":4},220.121177752,"?"]
[3958,"O=C(Nc1ccccn1)c2cccnc2","13160-07-1","O=C(Nc1ccccn1)c1cccnc1","O=C(Nc1ncccc1)c2cnccc2",{"$nulls":4},199.074561908,"?"]
[3959,"CCN(CC)C(=O)C(Cl)=C(C)O[P](=O)(OC)OC","13171-21-6","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC",{"$nulls":4},299.0689370180005,"?"]
[3960,"[O-][N+](=O)c1ccc(ONC=C2C=C(Br)C(=O)C(=C2)Br)c(c1)[N+]([O-])=O","13181-17-4","O=C1C(Br)=CC(=CNOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C=C1Br","O=C1C(=CC(C=C1Br)=CNOc2c(cc(cc2)[N+](=O)[O-])[N+](=O)[O-])Br",{"$nulls":4},458.8701591440002,"?"]
[3961,null,"13182-58-6",{"$nulls":7},""]
[3962,"CCCS[P](=O)(OCC)SCCC","13194-48-4","CCCSP(=O)(OCC)SCCC","CCCSP(=O)(OCC)SCCC",{"$nulls":4},242.05640847799998,"?"]
[3963,"O=C1NC2=CNC=NC2=N1","13230-97-2","O=c1nc2nc[nH]cc-2[nH]1","O=c1[nH]c2-c(n1)nc[nH]c2",{"$nulls":4},136.038510748,"?"]
[3964,"CN(CC(O)=O)N=O","13256-22-9","CN(CC(=O)O)N=O","CN(CC(=O)O)N=O",{"$nulls":4},118.037842052,"?"]
[3965,"NC(=N)NC(=N)Nc1cccc2ccccc12","13261-53-5","N=C(N)NC(=N)Nc1cccc2ccccc12","N=C(N)NC(=N)Nc1c2c(ccc1)cccc2",{"$nulls":4},227.11709541599998,"?"]
[3966,"CCO[P](=O)(OCC)SCc1ccccc1","13286-32-3","CCOP(=O)(OCC)SCc1ccccc1","CCOP(=O)(OCC)SCc1ccccc1",{"$nulls":4},260.06360203400016,"?"]
[3967,null,"13292-46-1",{"$nulls":7},""]
[3968,"Nc1c(cc(Nc2ccc(c(Nc3nc(Cl)nc(Cl)n3)c2)[S](O)(=O)=O)c4C(=O)c5ccccc5C(=O)c14)[S](O)(=O)=O","13324-20-4","Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(Nc3nc(Cl)nc(Cl)n3)c2)c2c1C(=O)c1ccccc1C2=O","Nc1c2c(c(cc1S(=O)(=O)O)Nc3cc(c(cc3)S(=O)(=O)O)Nc4nc(nc(n4)Cl)Cl)C(c5c(C2=O)cccc5)=O",{"$nulls":4},635.9691587680004,"?"]
[3969,null,"13330-93-3",{"$nulls":7},""]
[3970,"CON(C)C(=O)Nc1ccc(Br)c(Cl)c1","13360-45-7","CON(C)C(=O)Nc1ccc(Br)c(Cl)c1","CON(C)C(=O)Nc1cc(c(cc1)Br)Cl",{"$nulls":4},291.96141734000025,"?"]
[3971,"CCCCNCC","13360-63-9","CCCCNCC","CCCCNCC",{"$nulls":4},101.12044947999999,"?"]
[3972,"CN1C(=O)N(C)c2nccnc2C1=O","13401-18-8","Cn1c(=O)c2nccnc2n(C)c1=O","Cn1c(n(c2c(c1=O)nccn2)C)=O",{"$nulls":4},192.064725496,"?"]
[3973,"CC1(C)Cc2cccc(c2O1)[N+]([O-])=O","13414-55-6","CC1(C)Cc2cccc([N+](=O)[O-])c2O1","CC1(Oc2c(C1)cccc2[N+](=O)[O-])C",{"$nulls":4},193.073893212,"?"]
[3974,"CC1CCOC1","13423-15-9","CC1CCOC1","CC1COCC1",{"$nulls":4},86.07316494,"?"]
[3975,"CN1C(=O)N(C)c2ncn(CCOC(=O)c3cccnc3)c2C1=O","13425-39-3","Cn1c(=O)c2c(ncn2CCOC(=O)c2cccnc2)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)CCOC(=O)c3cnccc3)C)=O",{"$nulls":4},329.1124039600004,"?"]
[3976,null,"13435-16-0",{"$nulls":7},""]
[3977,"CC(=O)N[CH](CSc1cccc(Cl)c1)C(O)=O","13443-68-0","CC(=O)NC(CSc1cccc(Cl)c1)C(=O)O","CC(=O)NC(CSc1cc(ccc1)Cl)C(=O)O",{"$nulls":4},273.0226419240003,"?"]
[3978,"CC(=O)N[CH](CSc1ccc(Cl)c(Cl)c1)C(O)=O","13443-69-1","CC(=O)NC(CSc1ccc(Cl)c(Cl)c1)C(=O)O","CC(=O)NC(CSc1cc(c(cc1)Cl)Cl)C(=O)O",{"$nulls":4},306.9836695720003,"?"]
[3979,"CCOC(=O)c1cn2nc(O[P](=S)(OCC)OCC)cc2nc1C","13457-18-6","CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C","CCOC(=O)c1c(nc2n(c1)nc(OP(=S)(OCC)OCC)c2)C",{"$nulls":4},373.08612837000055,"?"]
[3980,"IC1=CNC(=O)C=C1","13472-79-2","O=c1ccc(I)c[nH]1","O=c1[nH]cc(cc1)I",{"$nulls":4},220.933761748,"?"]
[3981,"CCCCCCOC(=O)c1ccc(N)cc1","13476-55-6","CCCCCCOC(=O)c1ccc(N)cc1","CCCCCCOC(=O)c1ccc(cc1)N",{"$nulls":4},221.141578848,"?"]
[3982,"OCc1occc1.OC=O","13493-97-5","OCc1ccco1","OCc1occc1","OC=O",{"$nulls":3},144.042258736,"?"]
[3983,null,"13516-27-3",{"$nulls":7},""]
[3984,"CCNc1nc(OC)nc(n1)N(CC)CC","13532-26-8","CCNc1nc(OC)nc(N(CC)CC)n1","CCNc1nc(nc(n1)OC)N(CC)CC",{"$nulls":4},225.15896022799998,"?"]
[3985,"CCCC1C(=O)N2N(C1=O)C(=Nc3ccc(C)cc23)N(C)C","13539-59-8","CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O","CCCC1C(N2N(C1=O)C(N(C)C)=Nc3c2cc(cc3)C)=O",{"$nulls":4},300.15862588000056,"?"]
[3986,null,"13544-80-4",{"$nulls":7},""]
[3987,null,"13545-04-5",{"$nulls":7},""]
[3988,"NC(=O)NCNC(N)=O","13547-17-6","NC(=O)NCNC(N)=O","NC(=O)NCNC(N)=O",{"$nulls":4},132.064725496,"?"]
[3989,"CCC(O)CN","13552-21-1","CCC(O)CN","CCC(O)CN",{"$nulls":4},89.084063972,"?"]
[3990,"ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","13560-89-9","ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","ClC1(C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},539.62623216,"?"]
[3991,"CCO[P](=S)(OCC)Oc1cnc2ccccc2n1","13593-03-8","CCOP(=S)(OCC)Oc1cnc2ccccc2n1","CCOP(=S)(OCC)Oc1nc2c(nc1)cccc2",{"$nulls":4},298.05409997000044,"?"]
[3992,"OC(=O)c1cc[n+]([O-])cc1","13602-12-5",null,null,"OC(=O)c1cc[n+]([O-])cc1",{"$nulls":3},770.6754835160002,"?"]
[3993,null,"13603-14-0",{"$nulls":7},""]
[3994,"CC(O)CCl.CC(O)CCl.CC(O)CCl.O[P](O)(O)=O","13674-84-5","O=P(O)(O)O","O=P(O)(O)O","CC(O)CCl","CC(O)CCl","CC(O)CCl",null,380.032522778,"?"]
[3995,null,"13674-87-8",{"$nulls":7},""]
[3996,"CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1","13684-56-5","CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1","CCOC(=O)Nc1cc(ccc1)OC(=O)Nc2ccccc2",{"$nulls":4},300.11100699200045,"?"]
[3997,"COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1","13684-63-4","COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1","COC(=O)Nc1cc(ccc1)OC(=O)Nc2cc(ccc2)C",{"$nulls":4},300.11100699200045,"?"]
[3998,"CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)C=CC4(C)C3CCC12C)C(C)=O","13698-49-2","CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)C=CC4(C)C3CCC21C","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)Cl)=CC(=O)C=C4)C)CC2)C)C(C)=O",{"$nulls":4},402.15978702400076,"?"]
[3999,"OC[CH](NC(=O)CN=[N+]=[N-])[CH](O)c1ccc(cc1)[N+]([O-])=O","13838-08-9","[N-]=[N+]=NCC(=O)NC(CO)C(O)c1ccc([N+](=O)[O-])cc1","[N-]=[N+]=NCC(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},295.0916685160003,"?"]
[4000,null,"13838-16-9",{"$nulls":7},""]
[4001,"CCC(C)N","13952-84-6","CCC(C)N","CCC(C)N",{"$nulls":4},73.08914935199999,"?"]
[4002,null,"13964-22-2",{"$nulls":7},""]
[4003,"OC(=O)C=CCBr","13991-36-1","O=C(O)C=CCBr","O=C(O)C=CCBr",{"$nulls":4},163.9472915,"?"]
[4004,"CN1c2ccccc2Sc3ccc(CC(O)=O)cc13","13993-65-2","CN1c2ccccc2Sc2ccc(CC(=O)O)cc21","CN1c2c(Sc3c1cccc3)ccc(CC(=O)O)c2",{"$nulls":4},271.06669965600037,"?"]
[4005,null,"14007-02-4",{"$nulls":7},""]
[4006,"CC=CCC1(CC=CC)C(=O)NC(=O)NC1=O","14010-10-7","CC=CCC1(CC=CC)C(=O)NC(=O)NC1=O","CC=CCC1(C(NC(NC1=O)=O)=O)CC=CC",{"$nulls":4},236.116092372,"?"]
[4007,null,"14048-58-9",{"$nulls":7},""]
[4008,"CC(C)[CH]1CC[CH](C)CC1=O","14073-97-3","CC1CCC(C(C)C)C(=O)C1","CC1CC(C(CC1)C(C)C)=O",{"$nulls":4},154.135765196,"?"]
[4009,"CN(C)c1ncnc2nccnc12","14131-04-5","CN(C)c1ncnc2nccnc12","CN(C)c1c2c(ncn1)nccn2",{"$nulls":4},175.08579528799999,"?"]
[4010,"CCOCCC(=O)OC","14144-33-3","CCOCCC(=O)OC","CCOCCC(=O)OC",{"$nulls":4},132.078644244,"?"]
[4011,"CCCCOC(=O)CCOCC","14144-35-5","CCCCOC(=O)CCOCC","CCCCOC(=O)CCOCC",{"$nulls":4},174.125594436,"?"]
[4012,"CCCCCOC(=O)CCOCC","14144-36-6","CCCCCOC(=O)CCOCC","CCCCCOC(=O)CCOCC",{"$nulls":4},188.1412445,"?"]
[4013,"CCCCCCOC(=O)CCOCC","14144-37-7","CCCCCCOC(=O)CCOCC","CCCCCCOC(=O)CCOCC",{"$nulls":4},202.156894564,"?"]
[4014,"CCCOCCC(=O)OC","14144-39-9","CCCOCCC(=O)OC","CCCOCCC(=O)OC",{"$nulls":4},146.094294308,"?"]
[4015,"CCCOCCC(=O)OCCC","14144-41-3","CCCOCCC(=O)OCCC","CCCOCCC(=O)OCCC",{"$nulls":4},174.125594436,"?"]
[4016,"CCCCOCCC(=O)OCCCC","14144-48-0","CCCCOCCC(=O)OCCCC","CCCCOCCC(=O)OCCCC",{"$nulls":4},202.156894564,"?"]
[4017,"Clc1ncc2nccnc2n1","14159-38-7","Clc1ncc2nccnc2n1","Clc1nc2c(cn1)nccn2",{"$nulls":4},166.004623776,"?"]
[4018,null,"14187-32-7",{"$nulls":7},""]
[4019,"CCCC(CC)(CC)CO","14202-62-1","CCCC(CC)(CC)CO","CCCC(CC)(CC)CO",{"$nulls":4},144.15141526,"?"]
[4020,"COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1","14214-32-5","COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1","COc1ccc(cc1)Oc2ccc(cc2)NC(=O)N(C)C",{"$nulls":4},286.13174243600054,"?"]
[4021,"CCO[P](=S)(OCC)Oc1ccc(cc1)[S](C)(=O)=O","14255-72-2","CCOP(=S)(OCC)Oc1ccc(S(C)(=O)=O)cc1","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)(=O)=O",{"$nulls":4},324.0255022740004,"?"]
[4022,"FC(F)(F)c1nc2cc(Cl)c(Cl)cc2n1C(=O)Oc3ccccc3","14255-88-0","O=C(Oc1ccccc1)n1c(C(F)(F)F)nc2cc(Cl)c(Cl)cc21","O=C(Oc1ccccc1)n2c3c(nc2C(F)(F)F)cc(Cl)c(Cl)c3",{"$nulls":4},373.98366748400014,"?"]
[4023,"Cc1cccc(C)c1NC(=O)c2cc(c(Cl)cc2O)[S](N)(=O)=O","14293-44-8","Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O","Cc1c(c(ccc1)C)NC(=O)c2c(cc(c(c2)S(N)(=O)=O)Cl)O",{"$nulls":4},354.0441056400004,"?"]
[4024,"CC(C)C(N)C(=O)NCC(O)=O","14297-28-0","CC(C)C(N)C(=O)NCC(=O)O","CC(C)C(N)C(=O)NCC(=O)O",{"$nulls":4},174.100442308,"?"]
[4025,"CCCCC(Br)C(=O)NC(N)=O","14299-56-0","CCCCC(Br)C(=O)NC(N)=O","CCCCC(Br)C(=O)NC(N)=O",{"$nulls":4},236.016039756,"?"]
[4026,null,"14305-99-8",{"$nulls":7},""]
[4027,"CCCCCCCOC(=O)c1ccc(N)cc1","14309-40-1","CCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCOC(=O)c1ccc(cc1)N",{"$nulls":4},235.157228912,"?"]
[4028,"CCCCCCCCOC(=O)c1ccc(N)cc1","14309-41-2","CCCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCCOC(=O)c1ccc(cc1)N",{"$nulls":4},249.172878976,"?"]
[4029,"CN(C)C(=O)c1cccc(c1)C(=O)N(C)C","14334-36-2","CN(C)C(=O)c1cccc(C(=O)N(C)C)c1","CN(C)C(=O)c1cc(ccc1)C(=O)N(C)C",{"$nulls":4},220.121177752,"?"]
[4030,null,"14337-43-0",{"$nulls":7},""]
[4031,"OC(=O)CCC[Se][Se]CCCC(O)=O","14362-48-2","O=C(O)CCC[Se][Se]CCCC(=O)O","O=C(O)CCC[Se][Se]CCCC(=O)O",{"$nulls":4},333.92225152800034,"?"]
[4032,"Nc1ccc2OC(=O)C=Cc2c1","14415-44-2","Nc1ccc2oc(=O)ccc2c1","Nc1cc2c(cc1)oc(=O)cc2",{"$nulls":4},161.047678464,"?"]
[4033,"CCOC(=O)COc1ccc(Cl)cc1","14426-42-7","CCOC(=O)COc1ccc(Cl)cc1","CCOC(=O)COc1ccc(cc1)Cl",{"$nulls":4},214.039671892,"?"]
[4034,"COC(=O)C(Cl)Cc1ccc(Cl)cc1","14437-17-3","COC(=O)C(Cl)Cc1ccc(Cl)cc1","COC(=O)C(Cl)Cc1ccc(cc1)Cl",{"$nulls":4},232.00578492,"?"]
[4035,"Cc1cc(O)ccc1Br","14472-14-1","Cc1cc(O)ccc1Br","Cc1c(ccc(c1)O)Br",{"$nulls":4},185.968026944,"?"]
[4036,null,"14486-58-9",{"$nulls":7},""]
[4037,"Cc1ccccc1Oc2cccnn2","14491-59-9","Cc1ccccc1Oc1cccnn1","Cc1c(cccc1)Oc2nnccc2",{"$nulls":4},186.07931294,"?"]
[4038,"CN1C(=O)NN(C1=O)c2ccccc2","14500-23-3","Cn1c(=O)[nH]n(-c2ccccc2)c1=O","Cn1c(n([nH]c1=O)-c2ccccc2)=O",{"$nulls":4},191.069476528,"?"]
[4039,"NC(=O)c1ccccc1OCC=C","14520-53-7","C=CCOc1ccccc1C(N)=O","C=CCOc1c(cccc1)C(N)=O",{"$nulls":4},177.078978592,"?"]
[4040,"CCCCC=CC","14686-13-6","CC=CCCCC","CC=CCCCC",{"$nulls":4},98.109550448,"?"]
[4041,"CCN1C=C(C(O)=O)C(=O)c2cc3OCOc3cc12","14698-29-4","CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3","CCn1c2c(c(c(c1)C(=O)O)=O)cc3OCOc3c2",{"$nulls":4},261.06372245200015,"?"]
[4042,null,"14746-25-9",{"$nulls":7},""]
[4043,"CC(C)C1NC(=O)CNC1=O","14771-77-8","CC(C)C1NC(=O)CNC1=O","CC(C)C1C(NCC(N1)=O)=O",{"$nulls":4},156.089877624,"?"]
[4044,"CCO[P](=S)(OCC)ON=C(C#N)c1ccccc1","14816-18-3","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1",{"$nulls":4},298.0540999700004,"?"]
[4045,"CCO[P](=S)(OCC)ON=C(C#N)c1ccccc1Cl","14816-20-7","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1Cl","CCOP(=S)(OCC)ON=C(C#N)c1c(cccc1)Cl",{"$nulls":4},332.01512761800035,"?"]
[4046,null,"14862-80-7",{"$nulls":7},""]
[4047,"CC(=O)C=CC1=C(C)CCCC1(C)C","14901-07-6","CC(=O)C=CC1=C(C)CCCC1(C)C","CC(=O)C=CC=1C(CCCC1C)(C)C",{"$nulls":4},192.15141526,"?"]
[4048,null,"14979-39-6",{"$nulls":7},""]
[4049,"O=C(CC#N)N1CCCCC1","15029-30-8","N#CCC(=O)N1CCCCC1","N#CCC(=O)N1CCCCC1",{"$nulls":4},152.094963004,"?"]
[4050,"CC1(C)CCC2(CCC(C)(C)O2)O1","15031-07-9","CC1(C)CCC2(CCC(C)(C)O2)O1","CC1(OC2(CC1)OC(CC2)(C)C)C",{"$nulls":4},184.14632988,"?"]
[4051,"Oc1ccccc1[S](=O)(=O)c2ccccc2O","15038-67-2","O=S(=O)(c1ccccc1O)c1ccccc1O","O=S(=O)(c1c(cccc1)O)c2c(cccc2)O",{"$nulls":4},250.0299798,"?"]
[4052,"OC(=O)C(Cc1ccccc1)NCCC#N","15095-74-6","N#CCCNC(Cc1ccccc1)C(=O)O","N#CCCNC(Cc1ccccc1)C(=O)O",{"$nulls":4},218.105527688,"?"]
[4053,"ClC(Cl)C(Cl)C(Cl)Cl","15104-61-7","ClC(Cl)C(Cl)C(Cl)Cl","ClC(Cl)C(Cl)C(Cl)Cl",{"$nulls":4},213.867738496,"?"]
[4054,"N[CH](Cc1cc(Cl)c(O)c(Cl)c1)C(O)=O","15106-62-4","NC(Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O",{"$nulls":4},248.995948508,"?"]
[4055,"OC(=O)CC(O)(CC(O)=O)C(=O)Nc1ccccc1","15119-64-9","O=C(O)CC(O)(CC(=O)O)C(=O)Nc1ccccc1","O=C(O)CC(O)(CC(=O)O)C(=O)Nc1ccccc1",{"$nulls":4},267.0742871360003,"?"]
[4056,"COC(=O)c1ccc(O)c(I)c1","15126-06-4","COC(=O)c1ccc(O)c(I)c1","COC(=O)c1cc(c(cc1)O)I",{"$nulls":4},277.94399208400023,"?"]
[4057,"CCOC(=O)c1ccc(O)c(I)c1","15126-07-5","CCOC(=O)c1ccc(O)c(I)c1","CCOC(=O)c1cc(c(cc1)O)I",{"$nulls":4},291.9596421480003,"?"]
[4058,"CCCOC(=O)c1ccc(O)c(I)c1","15126-08-6","CCCOC(=O)c1ccc(O)c(I)c1","CCCOC(=O)c1cc(c(cc1)O)I",{"$nulls":4},305.97529221200034,"?"]
[4059,"CCCCOC(=O)c1ccc(O)c(I)c1","15126-09-7","CCCCOC(=O)c1ccc(O)c(I)c1","CCCCOC(=O)c1cc(c(cc1)O)I",{"$nulls":4},319.9909422760004,"?"]
[4060,"C[CH](Oc1ccc(Cl)cc1Cl)C(O)=O","15165-67-0","CC(Oc1ccc(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O",{"$nulls":4},233.985049476,"?"]
[4061,"OCc1c(Cl)cccc1Cl","15258-73-8","OCc1c(Cl)cccc1Cl","OCc1c(cccc1Cl)Cl",{"$nulls":4},175.979570172,"?"]
[4062,"CNC(=O)ON=C1C(Cl)C2CC(C#N)C1C2","15271-41-7","CNC(=O)ON=C1C(Cl)C2CC(C#N)C1C2","CNC(=O)ON=C1C2C(CC(C1Cl)C2)C#N",{"$nulls":4},241.061804304,"?"]
[4063,"CCN(CC)C(=O)C(C)Oc1cccc2ccccc12","15299-99-7","CCN(CC)C(=O)C(C)Oc1cccc2ccccc12","CCN(CC)C(=O)C(C)Oc1c2c(ccc1)cccc2",{"$nulls":4},271.15722891200045,"?"]
[4064,"CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4","15301-69-6","Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O","Cc1c(c2c(oc1-c3ccccc3)c(C(=O)OCCN4CCCCC4)ccc2)=O",{"$nulls":4},391.1783582800007,"?"]
[4065,"OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl","15307-86-5","O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl","O=C(O)Cc1c(cccc1)Nc2c(cccc2Cl)Cl",{"$nulls":4},295.01668395200034,"?"]
[4066,null,"15310-01-7",{"$nulls":7},""]
[4067,"CCC(=O)NC(=O)CCl","15322-68-6","CCC(=O)NC(=O)CCl","CCC(=O)NC(=O)CCl",{"$nulls":4},149.024356176,"?"]
[4068,"OCc1cc2OCOc2cc1[N+]([O-])=O","15341-08-9","O=[N+]([O-])c1cc2c(cc1CO)OCO2","O=[N+]([O-])c1c(cc2c(c1)OCO2)CO",{"$nulls":4},197.032422324,"?"]
[4069,null,"15397-07-6",{"$nulls":7},""]
[4070,null,"15420-54-9",{"$nulls":7},""]
[4071,null,"15446-25-0",{"$nulls":7},""]
[4072,"[O-][N+](=O)c1ccc(Oc2ccc(cc2[N+]([O-])=O)C(F)(F)F)cc1","15457-05-3","O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},328.0307059840002,"?"]
[4073,"CN(C)C(=O)Nc1ccc(C)c(Cl)c1","15545-48-9","Cc1ccc(NC(=O)N(C)C)cc1Cl","Cc1c(cc(cc1)NC(=O)N(C)C)Cl",{"$nulls":4},212.071640716,"?"]
[4074,"CN[S]#CNCO","15599-39-0","CNS#CNCO","CNS#CNCO",{"$nulls":4},120.035733876,"?"]
[4075,"CC(OC(C)=O)C#N","15657-96-2","CC(=O)OC(C)C#N","CC(=O)OC(C)C#N",{"$nulls":4},113.047678464,"?"]
[4076,"N.N.[Cl-].[Cl-].[Pt++]","15663-27-1","[Pt+2]","[Pt+2]","[Cl-]","[Cl-]","N","N",298.955594652,"Errors in neutralization"]
[4077,"CC(C)Cc1ccc(cc1)C(C)C(O)=O","15687-27-1","CC(C)Cc1ccc(C(C)C(=O)O)cc1","CC(C)Cc1ccc(cc1)C(C)C(=O)O",{"$nulls":4},206.130679816,"?"]
[4078,null,"15804-19-0",{"$nulls":7},""]
[4079,"Clc1cc(Cl)c(cc1Cl)c2ccccc2","15862-07-4","Clc1cc(Cl)c(-c2ccccc2)cc1Cl","Clc1c(cc(c(c1)Cl)-c2ccccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4080,"CCCCC(C)(C)CCC","15869-95-1","CCCCC(C)(C)CCC","CCCCC(C)(C)CCC",{"$nulls":4},142.172150704,"?"]
[4081,"OC[CH](O)[CH]1OC2O[CH](O[CH]2[CH]1O)C(Cl)(Cl)Cl","15879-93-3","OCC(O)C1OC2OC(C(Cl)(Cl)Cl)OC2C1O","OCC(O)C1C(C2C(O1)OC(C(Cl)(Cl)Cl)O2)O",{"$nulls":4},307.9621211120003,"?"]
[4082,null,"15892-23-6",{"$nulls":7},""]
[4083,"CCOC(=O)[CH](O)[CH](O)[CH](O)[CH](O)C(=O)OCC","15909-67-8","CCOC(=O)C(O)C(O)C(O)C(O)C(=O)OCC","CCOC(=O)C(O)C(O)C(O)C(O)C(=O)OCC",{"$nulls":4},266.1001675360003,"?"]
[4084,"Clc1cccc(Cl)c1c2c(Cl)cccc2Cl","15968-05-5","Clc1cccc(Cl)c1-c1c(Cl)cccc1Cl","Clc1c(c(ccc1)Cl)-c2c(cccc2Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4085,"CCc1cccc(CC)c1N(COC)C(=O)CCl","15972-60-8","CCc1cccc(CC)c1N(COC)C(=O)CCl","CCc1c(c(ccc1)CC)N(COC)C(=O)CCl",{"$nulls":4},269.11825656000036,"?"]
[4086,null,"15996-17-5",{"$nulls":7},""]
[4087,"OC(=O)CSSSSCC(O)=O","16002-32-7","O=C(O)CSSSSCC(=O)O","O=C(O)CSSSSCC(=O)O",{"$nulls":4},245.914892672,"?"]
[4088,"CCCCOCCO.NC(O)=O","16006-08-9","CCCCOCCO","CCCCOCCO","NC(O)=O",{"$nulls":3},179.115758024,"?"]
[4089,"OC(Cl)(Cl)c1ccc(Cl)c(Cl)c1Cl","16022-69-8","OC(Cl)(Cl)c1ccc(Cl)c(Cl)c1Cl","OC(Cl)(Cl)c1c(c(c(cc1)Cl)Cl)Cl",{"$nulls":4},277.86265311600005,"?"]
[4090,"CC(CN(C(C)=O)c1c(I)cc(I)c(N)c1I)C(O)=O","16034-77-8","CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I","CC(=O)N(CC(C)C(=O)O)c1c(c(c(cc1I)I)N)I",{"$nulls":4},613.8060362760004,"?"]
[4091,"[Zn++].CC(O)C([O-])=O.CC(O)C([O-])=O","16039-53-5","CC(O)C(=O)[O-]","CC(O)C(=O)O","CC(O)C([O-])=O","[Zn+2]",null,null,241.97688024,"Structure has been neutralized"]
[4092,"OC(=O)CC(Cl)C(O)=O","16045-92-4","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O",{"$nulls":4},151.98763632,"?"]
[4093,"CCNC(=O)[CH](C)OC(=O)Nc1ccccc1","16118-49-3","CCNC(=O)C(C)OC(=O)Nc1ccccc1","CCNC(=O)C(C)OC(=O)Nc1ccccc1",{"$nulls":4},236.116092372,"?"]
[4094,"CCCCCC[P](=O)(OCC)OCC","16165-66-5","CCCCCCP(=O)(OCC)OCC","CCCCCCP(=O)(OCC)OCC",{"$nulls":4},222.13848122599998,"?"]
[4095,"Oc1cc2ccccc2cc1C3=NCCN3","16173-26-5","Oc1cc2ccccc2cc1C1=NCCN1","Oc1c(cc2c(c1)cccc2)C=3NCCN3",{"$nulls":4},212.094963004,"?"]
[4096,"Cc1ccc(O)c(I)c1","16188-57-1","Cc1ccc(O)c(I)c1","Cc1cc(c(cc1)O)I",{"$nulls":4},233.954162844,"?"]
[4097,"CC(=O)Oc1ccccc1C=CC(O)=O","16189-10-9","CC(=O)Oc1ccccc1C=CC(=O)O","CC(=O)Oc1c(cccc1)C=CC(=O)O",{"$nulls":4},206.0579088,"?"]
[4098,"CC=C1CC2CC1C=C2","16219-75-3","CC=C1CC2C=CC1C2","CC=C1C2C=CC(C1)C2",{"$nulls":4},120.093900384,"?"]
[4099,null,"16268-25-0",{"$nulls":7},""]
[4100,"CCOC(=O)c1ccc(O)c(Cl)c1","16357-41-8","CCOC(=O)c1ccc(O)c(Cl)c1","CCOC(=O)c1cc(c(cc1)O)Cl",{"$nulls":4},200.024021828,"?"]
[4101,"CC(C)C[CH](N)C(=O)N[CH](CCC(O)=O)C(O)=O","16364-31-1","CC(C)CC(N)C(=O)NC(CCC(=O)O)C(=O)O","CC(C)CC(N)C(=O)NC(CCC(=O)O)C(=O)O",{"$nulls":4},260.13722174000014,"?"]
[4102,"CCCC(=O)N(C)N=O","16395-81-6","CCCC(=O)N(C)N=O","CCCC(=O)N(C)N=O",{"$nulls":4},130.07422756,"?"]
[4103,"C[CH](Oc1ccc(Cl)cc1C)C(O)=O","16484-77-8","Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",{"$nulls":4},214.039671892,"?"]
[4104,"NC(=O)C(Cl)=C","16490-68-9","C=C(Cl)C(N)=O","C=C(Cl)C(N)=O",{"$nulls":4},104.998141428,"?"]
[4105,"C=COC1CC1","16545-67-8","C=COC1CC1","C=COC1CC1",{"$nulls":4},84.057514876,"?"]
[4106,"Clc1cccc(c2ccccc2)c1Cl","16605-91-7","Clc1cccc(-c2ccccc2)c1Cl","Clc1c(c(ccc1)-c2ccccc2)Cl",{"$nulls":4},222.000305616,"?"]
[4107,"Clc1ccc(cc1)c2cc(Cl)ccc2Cl","16606-02-3","Clc1ccc(-c2cc(Cl)ccc2Cl)cc1","Clc1ccc(cc1)-c2c(ccc(c2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4108,null,"16631-06-4",{"$nulls":7},""]
[4109,"O[P](O)(=O)CCCl","16672-87-0","O=P(O)(O)CCCl","O=P(O)(O)CCCl",{"$nulls":4},143.974308362,"?"]
[4110,"CC1(CCN2CCCCC2)NC(=O)NC1=O","16705-27-4","CC1(CCN2CCCCC2)NC(=O)NC1=O","CC1(C(NC(N1)=O)=O)CCN2CCCCC2",{"$nulls":4},225.147726848,"?"]
[4111,null,"16713-80-7",{"$nulls":7},""]
[4112,null,"16718-61-9",{"$nulls":7},""]
[4113,"NNC(=O)c1sccn1","16733-90-7","NNC(=O)c1nccs1","NNC(=O)c1sccn1",{"$nulls":4},143.01533278,"?"]
[4114,"CNC(=O)ON=C(C)SC","16752-77-5","CNC(=O)ON=C(C)SC","CNC(=O)ON=C(C)SC",{"$nulls":4},162.04629856,"?"]
[4115,"COc1cc(Cl)c(Cl)c(Cl)c1OC","16766-29-3","COc1cc(Cl)c(Cl)c(Cl)c1OC","COc1c(c(c(c(c1)Cl)Cl)Cl)OC",{"$nulls":4},239.951162504,"?"]
[4116,"COc1ccc(Cl)cc1O","16766-30-6","COc1ccc(Cl)cc1O","COc1c(cc(cc1)Cl)O",{"$nulls":4},158.013457144,"?"]
[4117,null,"16805-99-5",{"$nulls":7},""]
[4118,"Nc1ccc(cc1)[S](=O)(=O)Nc2nccc(N)n2","16806-00-1","Nc1ccc(S(=O)(=O)Nc2nccc(N)n2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nc(ccn2)N",{"$nulls":4},265.06334559200025,"?"]
[4119,null,"16806-29-4",{"$nulls":7},""]
[4120,null,"16807-50-4",{"$nulls":7},""]
[4121,"CCC(C(C(O)=O)c1ccccc1)C(O)=O","16827-45-5","CCC(C(=O)O)C(C(=O)O)c1ccccc1","CCC(C(=O)O)C(C(=O)O)c1ccccc1",{"$nulls":4},222.089208928,"?"]
[4122,null,"16840-28-1",{"$nulls":7},""]
[4123,"ON(c1ccccc1)C(=O)c2ccc(Cl)cc2Cl","16845-41-3","O=C(c1ccc(Cl)cc1Cl)N(O)c1ccccc1","O=C(c1c(cc(cc1)Cl)Cl)N(O)c2ccccc2",{"$nulls":4},281.0010338880003,"?"]
[4124,"CC(=O)N(CC(O)=O)c1ccccc1C(O)=O","16851-69-7","CC(=O)N(CC(=O)O)c1ccccc1C(=O)O","CC(=O)N(CC(=O)O)c1c(cccc1)C(=O)O",{"$nulls":4},237.063722452,"?"]
[4125,"CSc1ncc2nccnc2n1","16878-77-6","CSc1ncc2nccnc2n1","CSc1nc2c(cn1)nccn2",{"$nulls":4},178.031317192,"?"]
[4126,"CC(C)C1(Br)C(=O)NC(=O)NC1=O","16952-71-9","CC(C)C1(Br)C(=O)NC(=O)NC1=O","CC(C)C1(C(NC(NC1=O)=O)=O)Br",{"$nulls":4},247.979654248,"?"]
[4127,"N[S](=O)(=O)c1ccc(cc1)[S](N)(=O)=O","16993-45-6","NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1","NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O",{"$nulls":4},235.992548736,"?"]
[4128,null,"17013-41-1",{"$nulls":7},""]
[4129,null,"17013-42-2",{"$nulls":7},""]
[4130,"Oc1cccc2ccnnc12","17056-95-0","Oc1cccc2ccnnc12","Oc1c2c(ccc1)ccnn2",{"$nulls":4},146.048012812,"?"]
[4131,"Cc1cnnc2c(O)cccc12","17056-96-1","Cc1cnnc2c(O)cccc12","Cc1c2c(nnc1)c(O)ccc2",{"$nulls":4},160.063662876,"?"]
[4132,"Oc1cccc2nccnc12","17056-99-4","Oc1cccc2nccnc12","Oc1c2c(ccc1)nccn2",{"$nulls":4},146.048012812,"?"]
[4133,"Oc1cncc2cccnc12","17057-00-0","Oc1cncc2cccnc12","Oc1c2c(cnc1)cccn2",{"$nulls":4},146.048012812,"?"]
[4134,null,"17073-27-7",{"$nulls":7},""]
[4135,null,"17103-43-4",{"$nulls":7},""]
[4136,null,"17103-45-6",{"$nulls":7},""]
[4137,"Nc1ccc(cc1)[S](=O)(=O)Nc2[nH]ccn2","17103-46-7","Nc1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2[nH]ccn2",{"$nulls":4},238.05244656,"?"]
[4138,"Nc1ccc(cc1)[S](=O)(=O)Nc2cncnc2","17103-48-9","Nc1ccc(S(=O)(=O)Nc2cncnc2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2cncnc2",{"$nulls":4},250.05244656,"?"]
[4139,null,"17103-49-0",{"$nulls":7},""]
[4140,"Nc1ccc(cc1)[S](=O)(=O)Nc2occn2","17103-51-4","Nc1ccc(S(=O)(=O)Nc2ncco2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2occn2",{"$nulls":4},239.036462148,"?"]
[4141,null,"17103-52-5",{"$nulls":7},""]
[4142,"Cc1nonc1N[S](=O)(=O)c2ccc(N)cc2","17103-53-6","Cc1nonc1NS(=O)(=O)c1ccc(N)cc1","Cc1c(non1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},254.04736118,"?"]
[4143,"CCO[P](=O)(Sc1ccccc1)Sc2ccccc2","17109-49-8","CCOP(=O)(Sc1ccccc1)Sc1ccccc1","CCOP(=O)(Sc1ccccc1)Sc2ccccc2",{"$nulls":4},310.02510835000044,"?"]
[4144,"Cc1noc(c2ccccc2)c1C(O)=O","17153-21-8","Cc1noc(-c2ccccc2)c1C(=O)O","Cc1c(c(on1)-c2ccccc2)C(=O)O",{"$nulls":4},203.058243148,"?"]
[4145,"NC(=O)NCC(=O)NCC(=O)NCC(O)=O","17186-15-1","NC(=O)NCC(=O)NCC(=O)NCC(=O)O","NC(=O)NCC(=O)NCC(=O)NCC(=O)O",{"$nulls":4},232.080769484,"?"]
[4146,"CCNC(CC)C(O)=O","17199-14-3","CCNC(CC)C(=O)O","CCNC(CC)C(=O)O",{"$nulls":4},131.094628656,"?"]
[4147,"O[CH](C(O)=O)c1ccccc1","17199-29-0","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",{"$nulls":4},152.047344116,"?"]
[4148,null,"17245-63-5",{"$nulls":7},""]
[4149,"NC(=O)NCC(=O)NCC(O)=O","17303-54-7","NC(=O)NCC(=O)NCC(=O)O","NC(=O)NCC(=O)NCC(=O)O",{"$nulls":4},175.059305768,"?"]
[4150,"CCCC[CH](NC)C(O)=O","17343-27-0","CCCCC(NC)C(=O)O","CCCCC(NC)C(=O)O",{"$nulls":4},145.11027872,"?"]
[4151,"CC(C)OC(C)(C)C","17348-59-3","CC(C)OC(C)(C)C","CC(C)OC(C)(C)C",{"$nulls":4},116.120115132,"?"]
[4152,"N[CH](Cc1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O)C(O)=O","17360-11-1","NC(Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(=O)O","NC(Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O",{"$nulls":4},271.04404962800027,"?"]
[4153,null,"17364-00-0",{"$nulls":7},""]
[4154,"CC(=O)NC(=O)CCl","17368-73-9","CC(=O)NC(=O)CCl","CC(=O)NC(=O)CCl",{"$nulls":4},135.008706112,"?"]
[4155,"CC(C)=NNC(=O)Nc1ccc(cc1)[N+]([O-])=O","17433-87-3","CC(C)=NNC(=O)Nc1ccc([N+](=O)[O-])cc1","CC(C)=NNC(=O)Nc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},236.090940244,"?"]
[4156,"COc1c(cc(cc1C(O)=O)C(O)=O)C(O)=O","17445-86-2","COc1c(C(=O)O)cc(C(=O)O)cc1C(=O)O","COc1c(cc(cc1C(=O)O)C(=O)O)C(=O)O",{"$nulls":4},240.02700259600002,"?"]
[4157,"CCC1OC(=O)c2ccccc12","17475-41-1","CCC1OC(=O)c2ccccc21","CCC1c2c(C(O1)=O)cccc2",{"$nulls":4},162.06807956,"?"]
[4158,"CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)[S](N)(=O)=O","17560-51-9","Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C","Cc1c(cccc1)N2C(Nc3c(C2=O)cc(S(N)(=O)=O)c(Cl)c3)C",{"$nulls":4},365.0600900520005,"?"]
[4159,"Cc1nnc(N)nc1C","17584-12-2","Cc1nnc(N)nc1C","Cc1c(nc(nn1)N)C",{"$nulls":4},124.07489625599999,"?"]
[4160,"CC1=C(C)C(=O)c2ccccc2O1","17584-90-6","Cc1oc2ccccc2c(=O)c1C","Cc1c(c(c2c(o1)cccc2)=O)C",{"$nulls":4},174.06807956,"?"]
[4161,"CN(C)C(CS[S](=O)(=O)c1ccccc1)CS[S](=O)(=O)c2ccccc2","17606-31-4","CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1","CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c2ccccc2",{"$nulls":4},431.03534215200057,"?"]
[4162,"CCC(CC#N)C#N","17611-82-4","CCC(C#N)CC#N","CCC(C#N)CC#N",{"$nulls":4},108.06874825599999,"?"]
[4163,null,"17615-73-5",{"$nulls":7},""]
[4164,"CC1OC(CCC1OC2OC(C)C(C(O)C2O)N(C)C)N3C=CC(=NC3=O)NC(=O)c4ccc(NC(=O)C(C)(N)CO)cc4","17650-86-1","CC1OC(n2ccc(NC(=O)c3ccc(NC(=O)C(C)(N)CO)cc3)nc2=O)CCC1OC1OC(C)C(N(C)C)C(O)C1O","CC1C(CCC(O1)n2c(nc(cc2)NC(=O)c3ccc(cc3)NC(=O)C(C)(N)CO)=O)OC4C(C(C(C(O4)C)N(C)C)O)O",{"$nulls":4},618.3013269240013,"?"]
[4165,null,"17689-42-8",{"$nulls":7},""]
[4166,null,"17694-78-9",{"$nulls":7},""]
[4167,"[O-][N+](=O)c1ccc(Cl)c(Cl)c1Cl","17700-09-3","O=[N+]([O-])c1ccc(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(cc1)Cl)Cl)Cl",{"$nulls":4},224.915111344,"?"]
[4168,"Clc1cccc(NC(=O)CC#N)c1","17722-12-2","N#CCC(=O)Nc1cccc(Cl)c1","N#CCC(=O)Nc1cc(ccc1)Cl",{"$nulls":4},194.024690524,"?"]
[4169,"Clc1ccc(NC(=O)CC#N)cc1","17722-17-7","N#CCC(=O)Nc1ccc(Cl)cc1","N#CCC(=O)Nc1ccc(cc1)Cl",{"$nulls":4},194.024690524,"?"]
[4170,null,"17772-30-4",{"$nulls":7},""]
[4171,"CCN1C=CC(=NC1=O)N[S](=O)(=O)c2ccc(N)cc2","17784-12-2","CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O","CCn1c(nc(cc1)NS(=O)(=O)c2ccc(cc2)N)=O",{"$nulls":4},294.0786613080004,"?"]
[4172,"CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12","17804-35-2","CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc21","CCCCNC(=O)n1c2c(nc1NC(=O)OC)cccc2",{"$nulls":4},290.1378904360005,"?"]
[4173,null,"17894-07-4",{"$nulls":7},""]
[4174,"CC(C)[CH](NC(C)=O)C(O)=O","17916-88-0","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C",{"$nulls":4},159.089543276,"?"]
[4175,"Nc1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O","17973-92-1","Nc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1","Nc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]",{"$nulls":4},199.02292026,"?"]
[4176,"OC(=O)Cc1sc(nc1c2ccc(Cl)cc2)c3ccccc3","18046-21-4","O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1","O=C(O)Cc1c(nc(s1)-c2ccccc2)-c3ccc(cc3)Cl",{"$nulls":4},329.02772730400034,"?"]
[4177,"C=CCCCN=C=S","18060-79-2","C=CCCCN=C=S","C=CCCCN=C=S",{"$nulls":4},127.045570288,"?"]
[4178,"Oc1cc(ccc1[N+]([O-])=O)c2ccccc2","18062-89-0","O=[N+]([O-])c1ccc(-c2ccccc2)cc1O","O=[N+]([O-])c1c(cc(cc1)-c2ccccc2)O",{"$nulls":4},215.058243148,"?"]
[4179,"COc1c(C)c(C=O)ccc1O","18102-32-4","COc1c(O)ccc(C=O)c1C","COc1c(c(ccc1O)C=O)C",{"$nulls":4},166.06299418,"?"]
[4180,"C[Si](C)(C)CCN","18135-04-1","C[Si](C)(C)CCN","C[Si](C)(C)CCN",{"$nulls":4},117.09737600999999,"?"]
[4181,"CC(C)OC(=O)c1ccc(N)cc1","18144-43-9","CC(C)OC(=O)c1ccc(N)cc1","CC(C)OC(=O)c1ccc(cc1)N",{"$nulls":4},179.094628656,"?"]
[4182,null,"18144-62-2",{"$nulls":7},""]
[4183,"C[Si](C)(C)CN","18166-02-4","C[Si](C)(C)CN","C[Si](C)(C)CN",{"$nulls":4},103.08172594599999,"?"]
[4184,"CO[P](=S)(OC)Oc1cc(Cl)c(I)cc1Cl","18181-70-9","COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)I)Cl",{"$nulls":4},411.83535510600024,"?"]
[4185,"CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c2ccc(Br)cc2","18181-80-1","CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1","CC(C)OC(=O)C(O)(c1ccc(cc1)Br)c2ccc(cc2)Br",{"$nulls":4},425.9466185720005,"?"]
[4186,"C[Si](C)(C)CCCN","18187-14-9","C[Si](C)(C)CCCN","C[Si](C)(C)CCCN",{"$nulls":4},131.113026074,"?"]
[4187,null,"18259-05-7",{"$nulls":7},""]
[4188,"NNC(=N)N[N+]([O-])=O","18264-75-0","N=C(NN)N[N+](=O)[O-]","N=C(NN)N[N+](=O)[O-]",{"$nulls":4},119.0443244,"?"]
[4189,null,"18268-54-7",{"$nulls":7},""]
[4190,"OCc1ccc(I)cc1","18282-51-4","OCc1ccc(I)cc1","OCc1ccc(cc1)I",{"$nulls":4},233.954162844,"?"]
[4191,"CC1CCCC(=NO)C1=NO","18310-18-4","CC1CCCC(=NO)C1=NO","CC1C(C(CCC1)=NO)=NO",{"$nulls":4},156.089877624,"?"]
[4192,"CC1CCC(=NO)C(C1)=NO","18310-19-5","CC1CCC(=NO)C(=NO)C1","CC1CC(C(CC1)=NO)=NO",{"$nulls":4},156.089877624,"?"]
[4193,"CC(C)C1CCC(=NO)C(C1)=NO","18310-20-8","CC(C)C1CCC(=NO)C(=NO)C1","CC(C)C1CC(C(CC1)=NO)=NO",{"$nulls":4},184.121177752,"?"]
[4194,"C[CH](NC(N)=O)C(O)=O","18409-49-9","CC(NC(N)=O)C(=O)O","CC(NC(N)=O)C(=O)O",{"$nulls":4},132.053492116,"?"]
[4195,"Cc1cccc2c3cc4ccccc4cc3cc(C)c12","18429-70-4","Cc1cccc2c1c(C)cc1cc3ccccc3cc12","Cc1c2c(ccc1)c3c(cc2C)cc4c(cccc4)c3",{"$nulls":4},256.125200512,"?"]
[4196,"CC1=NOC(=O)C1=NO","18438-56-7","CC1=NOC(=O)C1=NO","CC=1C(C(ON1)=O)=NO",{"$nulls":4},128.022191988,"?"]
[4197,"ON=C1CCCCCCCCC1=NO","18486-81-2","ON=C1CCCCCCCCC1=NO","ON=C1C(CCCCCCCC1)=NO",{"$nulls":4},198.136827816,"?"]
[4198,null,"18524-94-2",{"$nulls":7},""]
[4199,"CN(C)C(=O)NC1CC2CC1C3CCCC23","18530-56-8","CN(C)C(=O)NC1CC2CC1C1CCCC21","CN(C)C(=O)NC1C2CC(C1)C3C2CCC3",{"$nulls":4},222.173213324,"?"]
[4200,"CCS[S](=O)CC","18542-39-7","CCSS(=O)CC","CCSS(=O)CC",{"$nulls":4},138.01730694,"?"]
[4201,"CC(C)(C)NCC(O)c1ccc(O)c(CO)c1","18559-94-9","CC(C)(C)NCC(O)c1ccc(O)c(CO)c1","CC(C)(C)NCC(O)c1cc(c(cc1)O)CO",{"$nulls":4},239.152143532,"?"]
[4202,"COC1CCCC(C)O1","18653-59-3","COC1CCCC(C)O1","COC1OC(CCC1)C",{"$nulls":4},130.099379688,"?"]
[4203,"CC1(C)OC2(C)CCC1CC2=O","18679-55-5","CC12CCC(CC1=O)C(C)(C)O2","CC12C(CC(CC1)C(C)(C)O2)=O",{"$nulls":4},168.115029752,"?"]
[4204,"CNC(=O)N(C)c1sc2ccccc2n1","18691-97-9","CNC(=O)N(C)c1nc2ccccc2s1","CNC(=O)N(C)c1sc2c(n1)cccc2",{"$nulls":4},221.062282972,"?"]
[4205,"[O-][N+](=O)c1c(Cl)cc(Cl)cc1Cl","18708-70-8","O=[N+]([O-])c1c(Cl)cc(Cl)cc1Cl","O=[N+]([O-])c1c(cc(cc1Cl)Cl)Cl",{"$nulls":4},224.915111344,"?"]
[4206,"CCCCC(O)C(C)C","18720-62-2","CCCCC(O)C(C)C","CCCCC(O)C(C)C",{"$nulls":4},130.135765196,"?"]
[4207,"CCC(C)CC(O)CC","18720-65-5","CCC(C)CC(O)CC","CCC(C)CC(O)CC",{"$nulls":4},130.135765196,"?"]
[4208,"CCC(O)CCC(C)C","18720-66-6","CCC(O)CCC(C)C","CCC(O)CCC(C)C",{"$nulls":4},130.135765196,"?"]
[4209,"OC(=O)C1CCC([Se]1)C(O)=O","18721-69-2","O=C(O)C1CCC(C(=O)O)[Se]1","O=C(O)C1[Se]C(CC1)C(=O)O",{"$nulls":4},223.958780036,"?"]
[4210,null,"18807-87-9",{"$nulls":7},""]
[4211,"CCO[P](=S)(OCC)Oc1cc(on1)c2ccccc2","18854-01-8","CCOP(=S)(OCC)Oc1cc(-c2ccccc2)on1","CCOP(=S)(OCC)Oc1noc(c1)-c2ccccc2",{"$nulls":4},313.05376562200047,"?"]
[4212,null,"18854-93-8",{"$nulls":7},""]
[4213,"CC(C)CC(=O)Oc1ccc(cc1)[N+]([O-])=O","18934-77-5","CC(C)CC(=O)Oc1ccc([N+](=O)[O-])cc1","CC(C)CC(=O)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},223.084457896,"?"]
[4214,"OCc1ccccc1Br","18982-54-2","OCc1ccccc1Br","OCc1c(cccc1)Br",{"$nulls":4},185.968026944,"?"]
[4215,"CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)[S](N)(=O)=O)[N+]([O-])=O","19044-88-3","CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(N)(=O)=O)[N+](=O)[O-]",{"$nulls":4},346.0947052960004,"?"]
[4216,null,"19077-98-6",{"$nulls":7},""]
[4217,"CCc1nc2nc(N)nc(N)c2nc1CC","19152-77-3","CCc1nc2nc(N)nc(N)c2nc1CC","CCc1c(nc2c(n1)nc(N)nc2N)CC",{"$nulls":4},218.12799444799998,"?"]
[4218,"CNc1ncc2nccnc2n1","19167-57-8","CNc1ncc2nccnc2n1","CNc1nc2c(cn1)nccn2",{"$nulls":4},161.070145224,"?"]
[4219,null,"19250-24-9",{"$nulls":7},""]
[4220,"CCC(=O)NC(C)=O","19264-34-7","CCC(=O)NC(C)=O","CCC(=O)NC(C)=O",{"$nulls":4},115.063328528,"?"]
[4221,"COc1cc(NC(=O)c2cccnc2)c3ncccc3c1","19275-71-9","COc1cc(NC(=O)c2cccnc2)c2ncccc2c1","COc1cc2c(c(c1)NC(=O)c3cnccc3)nccc2",{"$nulls":4},279.10077665600033,"?"]
[4222,null,"19288-69-8",{"$nulls":7},""]
[4223,"CCCCCCCC[S](=O)(=O)N[S](=O)(=O)CCCCCCCC","19288-70-1","CCCCCCCCS(=O)(=O)NS(=O)(=O)CCCCCCCC","CCCCCCCCS(=O)(=O)NS(=O)(=O)CCCCCCCC",{"$nulls":4},369.200750600001,"?"]
[4224,"NC(C(O)C(O)COC(N)=O)C(=O)NC([CH]1O[CH]([CH](O)[CH]1O)N2C=C(CO)C(=O)NC2=O)C(O)=O","19396-06-6","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1OC(n2cc(CO)c(=O)[nH]c2=O)C(O)C1O","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1C(C(C(O1)n2c([nH]c(c(c2)CO)=O)=O)O)O",{"$nulls":4},507.14488586000056,"?"]
[4225,null,"19408-46-9",{"$nulls":7},""]
[4226,"NC(=O)C(Cl)CCl","19433-84-2","NC(=O)C(Cl)CCl","NC(=O)C(Cl)CCl",{"$nulls":4},140.97481914,"?"]
[4227,"COc1cc(C=O)cc(Cl)c1O","19463-48-0","COc1cc(C=O)cc(Cl)c1O","COc1c(c(cc(c1)C=O)Cl)O",{"$nulls":4},186.008371764,"?"]
[4228,"Brc1ccc2COC(=O)c2c1","19477-73-7","O=C1OCc2ccc(Br)cc21","O=C1c2c(CO1)ccc(Br)c2",{"$nulls":4},211.9472915,"?"]
[4229,"CCC(C)C(O)C(C)CC","19549-79-2","CCC(C)C(O)C(C)CC","CCC(C)C(O)C(C)CC",{"$nulls":4},144.15141526,"?"]
[4230,"CC(C)C(C)CO","19550-30-2","CC(C)C(C)CO","CC(C)C(C)CO",{"$nulls":4},102.104465068,"?"]
[4231,"Oc1c(Cl)cc(Cl)cc1Cc2ccccc2","19578-81-5","Oc1c(Cl)cc(Cl)cc1Cc1ccccc1","Oc1c(cc(cc1Cl)Cl)Cc2ccccc2",{"$nulls":4},252.0108703,"?"]
[4232,null,"19622-19-6",{"$nulls":7},""]
[4233,"Clc1ccc2COC(=O)c2c1","19641-29-3","O=C1OCc2ccc(Cl)cc21","O=C1c2c(CO1)ccc(Cl)c2",{"$nulls":4},167.99780708,"?"]
[4234,"CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl","19666-30-9","CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl","CC(C)Oc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl",{"$nulls":4},344.0694477960005,"?"]
[4235,"CCOc1ccc(C(O)=O)c2ccccc12","19692-24-1","CCOc1ccc(C(=O)O)c2ccccc12","CCOc1c2c(c(cc1)C(=O)O)cccc2",{"$nulls":4},216.078644244,"?"]
[4236,"CCC(C)(O)C(O)c1ccccc1","19757-53-0","CCC(C)(O)C(O)c1ccccc1","CCC(C)(O)C(O)c1ccccc1",{"$nulls":4},180.115029752,"?"]
[4237,"CC(C)C[CH](NC(C)=O)C(O)=O","19764-30-8","CC(=O)NC(CC(C)C)C(=O)O","CC(=O)NC(CC(C)C)C(=O)O",{"$nulls":4},173.10519334,"?"]
[4238,"CC[CH](C)[CH](NC(C)=O)C(O)=O","19764-31-9","CCC(C)C(NC(C)=O)C(=O)O","CCC(C)C(NC(C)=O)C(=O)O",{"$nulls":4},173.10519334,"?"]
[4239,"COCC(N)C(O)=O","19794-53-7","COCC(N)C(=O)O","COCC(N)C(=O)O",{"$nulls":4},119.058243148,"?"]
[4240,"BrC1=CNC=NC1=O","19808-30-1","O=c1nc[nH]cc1Br","O=c1c(c[nH]cn1)Br",{"$nulls":4},173.942874816,"?"]
[4241,null,"19867-18-6",{"$nulls":7},""]
[4242,null,"19889-01-1",{"$nulls":7},""]
[4243,"COc1ccc(NC(=O)N(C)C)cc1Cl","19937-59-8","COc1ccc(NC(=O)N(C)C)cc1Cl","COc1c(cc(cc1)NC(=O)N(C)C)Cl",{"$nulls":4},228.066555336,"?"]
[4244,"CCNC(C)C","19961-27-4","CCNC(C)C","CCNC(C)C",{"$nulls":4},87.10479941599999,"?"]
[4245,"Clc1c(Cl)c(Cl)c2ccccc2c1Cl","20020-02-4","Clc1c(Cl)c(Cl)c2ccccc2c1Cl","Clc1c(c2c(c(c1Cl)Cl)cccc2)Cl",{"$nulls":4},263.9067108480001,"?"]
[4246,"[O-][N+](=O)Nc1ccc(cc1)[N+]([O-])=O","20020-13-7","O=[N+]([O-])Nc1ccc([N+](=O)[O-])cc1","O=[N+]([O-])Nc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},183.02800564,"?"]
[4247,"CCCCCCCCCCCCOC(=O)c1ccc(N)cc1","20043-94-1","CCCCCCCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCCCCCCOC(=O)c1ccc(cc1)N",{"$nulls":4},305.2354792320009,"?"]
[4248,"CCCCCN(N=Cc1oc(cc1)[N+]([O-])=O)C(N)=O","20049-93-8","CCCCCN(N=Cc1ccc([N+](=O)[O-])o1)C(N)=O","CCCCCN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O",{"$nulls":4},268.11715499200034,"?"]
[4249,null,"20057-31-2",{"$nulls":7},""]
[4250,"COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)C=Cc3ccccc3","20168-99-4","COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)C=Cc1ccccc1","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)C=Cc3ccccc3",{"$nulls":4},349.1314080880005,"?"]
[4251,"CCCCCO[P](=O)(OCC)OCC","20195-08-8","CCCCCOP(=O)(OCC)OCC","CCCCCOP(=O)(OCC)OCC",{"$nulls":4},224.117745782,"?"]
[4252,"CC[CH](C)[CH](NC(C)=O)C(O)=O","20257-17-4","CCC(C)C(NC(C)=O)C(=O)O","CCC(C)C(NC(C)=O)C(=O)O",{"$nulls":4},173.10519334,"?"]
[4253,"CCCCCCOC(=O)C(C)O","20279-51-0","CCCCCCOC(=O)C(C)O","CCCCCCOC(=O)C(C)O",{"$nulls":4},174.125594436,"?"]
[4254,null,"20281-91-8",{"$nulls":7},""]
[4255,null,"20296-29-1",{"$nulls":7},""]
[4256,null,"20301-63-7",{"$nulls":7},""]
[4257,"COC(C)COC(C)COC(C)CO","20324-33-8","COC(C)COC(C)COC(C)CO","COC(C)COC(C)COC(C)CO",{"$nulls":4},206.151809184,"?"]
[4258,"CN1C(=O)ON(C1=O)c2ccc(Cl)c(Cl)c2","20354-26-1","Cn1c(=O)on(-c2ccc(Cl)c(Cl)c2)c1=O","Cn1c(n(oc1=O)-c2cc(c(cc2)Cl)Cl)=O",{"$nulls":4},259.9755474120001,"?"]
[4259,"CCCOc1ccc(NC(C)=O)cc1","20367-32-2","CCCOc1ccc(NC(C)=O)cc1","CCCOc1ccc(cc1)NC(C)=O",{"$nulls":4},193.11027872,"?"]
[4260,"CCCOC(=O)CCO.CC(O)=O","20473-73-8","CCCOC(=O)CCO","CCCOC(=O)CCO","CC(O)=O",{"$nulls":3},192.099773612,"?"]
[4261,"CCCCCOC(=O)CCO.CC(O)=O","20473-77-2","CCCCCOC(=O)CCO","CCCCCOC(=O)CCO","CC(O)=O",{"$nulls":3},220.13107374,"?"]
[4262,"CC1(C)C2CCC1(C)C(=O)C2CO","20618-41-1","CC12CCC(C(CO)C1=O)C2(C)C","CC12C(C(C(CC1)C2(C)C)CO)=O",{"$nulls":4},182.130679816,"?"]
[4263,"CN(C(N)=O)c1ccccc1C","20632-28-4","Cc1ccccc1N(C)C(N)=O","Cc1c(cccc1)N(C)C(N)=O",{"$nulls":4},164.094963004,"?"]
[4264,"CCCCCCO[N+]([O-])=O","20633-11-8","CCCCCCO[N+](=O)[O-]","CCCCCCO[N+](=O)[O-]",{"$nulls":4},147.089543276,"?"]
[4265,null,"20664-26-0",{"$nulls":7},""]
[4266,null,"20664-28-2",{"$nulls":7},""]
[4267,null,"20664-34-0",{"$nulls":7},""]
[4268,null,"20664-36-2",{"$nulls":7},""]
[4269,null,"20664-40-8",{"$nulls":7},""]
[4270,"CCN(C(N)=O)c1ccccc1C","20722-63-8","CCN(C(N)=O)c1ccccc1C","CCN(C(N)=O)c1c(cccc1)C",{"$nulls":4},178.110613068,"?"]
[4271,null,"20724-92-9",{"$nulls":7},""]
[4272,null,"20753-85-9",{"$nulls":7},""]
[4273,null,"20763-91-1",{"$nulls":7},""]
[4274,null,"20769-96-4",{"$nulls":7},""]
[4275,"CC(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(C)=O)cc1","20782-48-3","CC(=O)c1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)cc1","CC(=O)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)=O",{"$nulls":4},296.1160923720005,"?"]
[4276,"CCCC(O)(CCC)C(O)c1ccccc1","20805-10-1","CCCC(O)(CCC)C(O)c1ccccc1","CCCC(O)(CCC)C(O)c1ccccc1",{"$nulls":4},222.161979944,"?"]
[4277,"CCCCC(O)(CCCC)C(O)c1ccccc1","20805-11-2","CCCCC(O)(CCCC)C(O)c1ccccc1","CCCCC(O)(CCCC)C(O)c1ccccc1",{"$nulls":4},250.193280072,"?"]
[4278,null,"20820-44-4",{"$nulls":7},""]
[4279,"Cc1cc(C)c(C)c(C)n1","20820-82-0","Cc1cc(C)c(C)c(C)n1","Cc1nc(c(c(c1)C)C)C",{"$nulls":4},135.104799416,"?"]
[4280,"C[CH]1O[CH](C[CH](O)[CH]1O)O[CH]2[CH](O)C[CH](O[CH]2C)O[CH]3[CH](O)C[CH](O[CH]3C)O[CH]4CC[C]5(C)[CH](CC[CH]6[CH]5C[CH](O)[C]7(C)[CH](CC[C]67O)C8=CC(=O)OC8)C4","20830-75-5","CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(C(C6)O)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O",{"$nulls":4},780.4296067280018,"?"]
[4281,null,"20836-12-8",{"$nulls":7},""]
[4282,"Clc1ccc(NC(NC=O)C(Cl)(Cl)Cl)cc1Cl","20856-57-9","O=CNC(Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl","O=CNC(Nc1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl",{"$nulls":4},333.90010124400015,"?"]
[4283,"OC(=O)CC1=Cc2ccccc2OC1=O","20862-58-2","O=C(O)Cc1cc2ccccc2oc1=O","O=C(O)Cc1c(oc2c(c1)cccc2)=O",{"$nulls":4},204.042258736,"?"]
[4284,"O=C1CC=CS1","20893-64-5","O=C1CC=CS1","O=C1SC=CC1",{"$nulls":4},99.998285748,"?"]
[4285,null,"20939-13-3",{"$nulls":7},""]
[4286,"S=C1NSC(=S)N1","20939-17-7","S=c1[nH]sc(=S)[nH]1","S=c1[nH]c(s[nH]1)=S",{"$nulls":4},149.938011064,"?"]
[4287,"CSC1=NN=C(C(=O)N1N)C(C)(C)C","21087-64-9","CSc1nnc(C(C)(C)C)c(=O)n1N","CSc1n(c(c(nn1)C(C)(C)C)=O)N",{"$nulls":4},214.088832068,"?"]
[4288,null,"21142-58-5",{"$nulls":7},""]
[4289,"CC1CC(C)(C)c2cc(C(C)=O)c(C)cc2C1(C)C","21145-77-7","CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C","CC(=O)c1c(cc2c(c1)C(CC(C2(C)C)C)(C)C)C",{"$nulls":4},258.1983654520001,"?"]
[4290,"OC(=O)c1cccc(C(O)=O)c1[N+]([O-])=O","21161-11-5","O=C(O)c1cccc(C(=O)O)c1[N+](=O)[O-]","O=C(O)c1c(c(ccc1)C(=O)O)[N+](=O)[O-]",{"$nulls":4},211.01168688,"?"]
[4291,"CC(C#C)N(C(=O)CCl)c1ccccc1","21267-72-1","C#CC(C)N(C(=O)CCl)c1ccccc1","C#CC(C)N(C(=O)CCl)c1ccccc1",{"$nulls":4},221.060741684,"?"]
[4292,"CC(Cl)C(C)(C)O","21326-62-5","CC(Cl)C(C)(C)O","CC(Cl)C(C)(C)O",{"$nulls":4},122.049842652,"?"]
[4293,"Oc1cc(c2ccccc2)c(cc1[N+]([O-])=O)[N+]([O-])=O","21419-76-1","O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2ccccc2)cc1O","O=[N+]([O-])c1c(cc(c(c1)[N+](=O)[O-])-c2ccccc2)O",{"$nulls":4},260.04332135600015,"?"]
[4294,"CC(=O)N[CH](CSc1ccc(Cl)cc1)C(O)=O","21462-48-6","CC(=O)NC(CSc1ccc(Cl)cc1)C(=O)O","CC(=O)NC(CSc1ccc(cc1)Cl)C(=O)O",{"$nulls":4},273.0226419240003,"?"]
[4295,"CCO[P](=O)(OCC)N=C1SCS1","21548-32-3","CCOP(=O)(N=C1SCS1)OCC","CCOP(=O)(N=C1SCS1)OCC",{"$nulls":4},240.999621874,"?"]
[4296,null,"21564-17-0",{"$nulls":7},""]
[4297,"CCCC(O)CC(C)C","21570-35-4","CCCC(O)CC(C)C","CCCC(O)CC(C)C",{"$nulls":4},130.135765196,"?"]
[4298,"CO[P](=S)(Oc1cc(Cl)c(Br)cc1Cl)c2ccccc2","21609-90-5","COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1","COP(=S)(Oc1c(cc(c(c1)Cl)Br)Cl)c2ccccc2",{"$nulls":4},409.86995465000024,"?"]
[4299,null,"21626-90-4",{"$nulls":7},""]
[4300,"CCNc1nc(Cl)nc(NC(C)(C)C#N)n1","21725-46-2","CCNc1nc(Cl)nc(NC(C)(C)C#N)n1","CCNc1nc(nc(n1)Cl)NC(C)(C)C#N",{"$nulls":4},240.08902209599998,"?"]
[4301,"OC(=O)c1cc(Br)ccc1Cl","21739-92-4","O=C(O)c1cc(Br)ccc1Cl","O=C(O)c1c(ccc(c1)Br)Cl",{"$nulls":4},233.908319148,"?"]
[4302,"CN1C(=O)COc2ccccc12","21744-84-3","CN1C(=O)COc2ccccc21","CN1c2c(OCC1=O)cccc2",{"$nulls":4},163.063328528,"?"]
[4303,null,"21757-82-4",{"$nulls":7},""]
[4304,"CCC(O)CNCC(O)CC","21838-75-5","CCC(O)CNCC(O)CC","CCC(O)CNCC(O)CC",{"$nulls":4},161.141578848,"?"]
[4305,"CC(C)CCO[N+]([O-])=O","21981-48-6","CC(C)CCO[N+](=O)[O-]","CC(C)CCO[N+](=O)[O-]",{"$nulls":4},133.073893212,"?"]
[4306,"CC=C(Cl)C(O)=O","22038-56-8","CC=C(Cl)C(=O)O","CC=C(Cl)C(=O)O",{"$nulls":4},119.99780708,"?"]
[4307,"[Cl-].C[NH+](C)C(CSC(N)=O)CSC(N)=O","22042-59-7","C[NH+](C)C(CSC(N)=O)CSC(N)=O","CN(C)C(CSC(N)=O)CSC(N)=O","[Cl-]",{"$nulls":3},273.03724643199996,"Structure has been neutralized"]
[4308,"CC(C(O)=O)c1cccc(c1)C(=O)c2ccccc2","22071-15-4","CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1","CC(C(=O)O)c1cc(ccc1)C(=O)c2ccccc2",{"$nulls":4},254.094294308,"?"]
[4309,"Cc1snnc1C(O)=O","22097-10-5","Cc1snnc1C(=O)O","Cc1c(nns1)C(=O)O",{"$nulls":4},143.999348368,"?"]
[4310,"CCOC(=S)SC(CC(O)=O)C(O)=O","22119-15-9","CCOC(=S)SC(CC(=O)O)C(=O)O","CCOC(=S)SC(CC(=O)O)C(=O)O",{"$nulls":4},237.99696542,"?"]
[4311,"CC(O)C(O)C1=NC2=C(NC1)NC(=NC2=O)N","22150-76-1","CC(O)C(O)C1=Nc2c([nH]c(N)nc2=O)NC1","CC(O)C(O)C=1CNc2c(N1)c(nc([nH]2)N)=O",{"$nulls":4},239.101839276,"?"]
[4312,"[Na+].COc1ccc2cc(ccc2c1)[CH](C)C([O-])=O","22204-53-1","COc1ccc2cc(C(C)C(=O)[O-])ccc2c1","COc1cc2c(cc1)cc(C(C)C(=O)O)cc2","[Na+]",{"$nulls":3},252.076238556,"Structure has been neutralized"]
[4313,"CCOC(=O)C(C)N(C(=O)c1ccccc1)c2ccc(Cl)c(Cl)c2","22212-55-1","CCOC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1","CCOC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)Cl)Cl",{"$nulls":4},365.0585487640005,"?"]
[4314,"CCO[P](=O)(NC(C)C)Oc1ccc(SC)c(C)c1","22224-92-6","CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1","CCOP(=O)(NC(C)C)Oc1cc(c(cc1)SC)C",{"$nulls":4},303.1058011940006,"?"]
[4315,"CO[P](=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl","22248-79-9","COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},363.89925611800027,"?"]
[4316,"CNC(=O)Oc1cccc(c1)N=CN(C)C","22259-30-9","CNC(=O)Oc1cccc(N=CN(C)C)c1","CNC(=O)Oc1cc(ccc1)N=CN(C)C",{"$nulls":4},221.11642672,"?"]
[4317,"COC(=O)c1sccc1N","22288-78-4","COC(=O)c1sccc1N","COC(=O)c1c(ccs1)N",{"$nulls":4},157.019749464,"?"]
[4318,null,"22350-76-1",{"$nulls":7},""]
[4319,null,"22359-66-6",{"$nulls":7},""]
[4320,"CCOc1ccc(NC(=O)CO)cc1","22521-79-5","CCOc1ccc(NC(=O)CO)cc1","CCOc1ccc(cc1)NC(=O)CO",{"$nulls":4},195.089543276,"?"]
[4321,"OC(=O)C(c1ccccc1C(O)=O)c2ccccc2C(O)=O","22589-07-7","O=C(O)c1ccccc1C(C(=O)O)c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(C(=O)O)c2c(cccc2)C(=O)O",{"$nulls":4},300.0633881040003,"?"]
[4322,null,"22659-18-3",{"$nulls":7},""]
[4323,null,"22659-20-7",{"$nulls":7},""]
[4324,"CCCOC(=O)CO.O[N+]([O-])=O","22665-54-9","CCCOC(=O)CO","CCCOC(=O)CO","O[N+]([O-])=O",{"$nulls":3},181.058637072,"?"]
[4325,null,"22729-75-5",{"$nulls":7},""]
[4326,"OC(=O)CC(=O)c1ccccc1[N+]([O-])=O","22751-16-2","O=C(O)CC(=O)c1ccccc1[N+](=O)[O-]","O=C(O)CC(=O)c1c(cccc1)[N+](=O)[O-]",{"$nulls":4},209.032422324,"?"]
[4327,"CNC(=O)Oc1cccc2OC(C)(C)Oc12","22781-23-3","CNC(=O)Oc1cccc2c1OC(C)(C)O2","CNC(=O)Oc1c2c(ccc1)OC(O2)(C)C",{"$nulls":4},223.084457896,"?"]
[4328,"COc1ccc(C[CH]2NC[CH](O)[CH]2OC(C)=O)cc1","22862-76-6","COc1ccc(CC2NCC(O)C2OC(C)=O)cc1","COc1ccc(cc1)CC2C(C(CN2)O)OC(C)=O",{"$nulls":4},265.1314080880003,"?"]
[4329,null,"22898-01-7",{"$nulls":7},""]
[4330,null,"22915-90-8",{"$nulls":7},""]
[4331,null,"22936-75-0",{"$nulls":7},""]
[4332,"CCSC(=O)N(CC)CC.CC(C)Nc1nc(Cl)nc(NC2CC2)n1","22936-86-3","CC(C)Nc1nc(Cl)nc(NC2CC2)n1","CC(C)Nc1nc(nc(n1)Cl)NC2CC2","CCSC(=O)N(CC)CC",{"$nulls":3},388.18120822799995,"?"]
[4333,null,"22994-85-0",{"$nulls":7},""]
[4334,"CC(C)=C[CH]1[CH](C(=O)OC2CC(=O)C(=C2C)CC#C)C1(C)C","23031-36-9","C#CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O","C#CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",{"$nulls":4},300.17254462800065,"?"]
[4335,null,"23043-88-1",{"$nulls":7},""]
[4336,"CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C","23103-98-2","Cc1nc(N(C)C)nc(OC(=O)N(C)C)c1C","Cc1c(c(nc(n1)N(C)C)OC(=O)N(C)C)C",{"$nulls":4},238.142975816,"?"]
[4337,"CNC(=O)ON=C(SC)C(=O)N(C)C","23135-22-0","CNC(=O)ON=C(SC)C(=O)N(C)C","CNC(=O)ON=C(SC)C(=O)N(C)C",{"$nulls":4},219.067762276,"?"]
[4338,null,"23146-04-5",{"$nulls":7},""]
[4339,"CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC","23184-66-9","CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC","CCCCOCN(C(=O)CCl)c1c(cccc1CC)CC",{"$nulls":4},311.1652067520007,"?"]
[4340,"CCC(CO)(CO)COCC(CC)(CO)CO","23235-61-2","CCC(CO)(CO)COCC(CC)(CO)CO","CCC(CO)(CO)COCC(CC)(CO)CO",{"$nulls":4},250.178023932,"?"]
[4341,"[H+].[Cl-].CNC(=O)Oc1cccc(c1)N=CN(C)C","23422-53-9","CNC(=O)Oc1cccc(N=CN(C)C)c1","CNC(=O)Oc1cc(ccc1)N=CN(C)C","[Cl-]","[H+]",null,null,257.093104432,"?"]
[4342,"CCO[P](=S)(OCC)Oc1cc(C)nc(n1)N(CC)CC","23505-41-1","CCOP(=S)(OCC)Oc1cc(C)nc(N(CC)CC)n1","CCOP(=S)(OCC)Oc1nc(nc(c1)C)N(CC)CC",{"$nulls":4},333.12759925800066,"?"]
[4343,"CO[P](=O)(OC)OC1=C(Cl)C2C=CCC12","23560-59-0","COP(=O)(OC)OC1=C(Cl)C2C=CCC12","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2",{"$nulls":4},250.01617317400002,"?"]
[4344,"COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC","23564-05-8","COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC","COC(=O)NC(=S)Nc1c(cccc1)NC(=S)NC(=O)OC",{"$nulls":4},342.0456469280004,"?"]
[4345,"CC(C)(CCC(C)(C)CC(O)=O)CC(O)=O","23578-38-3","CC(C)(CCC(C)(C)CC(=O)O)CC(=O)O","CC(C)(CCC(C)(C)CC(=O)O)CC(=O)O",{"$nulls":4},230.151809184,"?"]
[4346,null,"23597-82-2",{"$nulls":7},""]
[4347,null,"23605-74-5",{"$nulls":7},""]
[4348,"CN(C)c1nc2c[nH]cnc2n1","23687-23-2","CN(C)c1nc2c[nH]cnc-2n1","CN(C)c1nc2-c(n1)c[nH]cn2",{"$nulls":4},163.08579528799999,"?"]
[4349,"Cc1ncc2nc(C)c(C)nc2n1","23767-00-2","Cc1ncc2nc(C)c(C)nc2n1","Cc1nc2c(cn1)nc(C)c(C)n2",{"$nulls":4},174.09054632,"?"]
[4350,"NC(=O)NN=C[CH](O)[CH](O)[CH](O)[CH](O)CO","23789-57-3","NC(=O)NN=CC(O)C(O)C(O)C(O)CO","NC(=O)NN=CC(O)C(O)C(O)C(O)CO",{"$nulls":4},237.0960852,"?"]
[4351,"O[S](=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)[N+]([O-])=O","23792-61-2","O=[N+]([O-])c1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)S(=O)(=O)O",{"$nulls":4},307.02629138800023,"?"]
[4352,"OC(=O)C1=CNCNC1","23945-44-0","O=C(O)C1=CNCNC1","O=C(O)C=1CNCNC1",{"$nulls":4},128.058577496,"?"]
[4353,"CC(C)(NC(=O)c1cc(Cl)cc(Cl)c1)C#C","23950-58-5","C#CC(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1","C#CC(C)(C)NC(=O)c1cc(cc(c1)Cl)Cl",{"$nulls":4},255.021769332,"?"]
[4354,"CCO[P](=S)(OCC)Oc1ncn(n1)c2ccccc2","24017-47-8","CCOP(=S)(OCC)Oc1ncn(-c2ccccc2)n1","CCOP(=S)(OCC)Oc1nn(cn1)-c2ccccc2",{"$nulls":4},313.06499900200043,"?"]
[4355,"CC1(C)OC(=O)c2cc3ccccc3cc12","24018-57-3","CC1(C)OC(=O)c2cc3ccccc3cc21","CC1(c2c(C(O1)=O)cc3c(cccc3)c2)C",{"$nulls":4},212.083729624,"?"]
[4356,null,"24093-81-0",{"$nulls":7},""]
[4357,null,"24106-05-6",{"$nulls":7},""]
[4358,"CCCO[P](=S)(OCCC)SCC(=O)N1CCCCC1C","24151-93-7","CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C","CCCOP(=S)(OCCC)SCC(=O)N1C(CCCC1)C",{"$nulls":4},353.1248223860008,"?"]
[4359,null,"24353-58-0",{"$nulls":7},""]
[4360,"CNc1ccc(cc1)[S](O)(=O)=O","24447-99-2","CNc1ccc(S(=O)(=O)O)cc1","CNc1ccc(cc1)S(=O)(=O)O",{"$nulls":4},187.030314148,"?"]
[4361,"N#CSCC(CSC#N)SC#N","24487-40-9","N#CSCC(CSC#N)SC#N","N#CSCC(CSC#N)SC#N",{"$nulls":4},214.96456016,"?"]
[4362,"CCCOC(=O)NCCCN(C)C","24579-73-5","CCCOC(=O)NCCCN(C)C","CCCOC(=O)NCCCN(C)C",{"$nulls":4},188.15247788,"?"]
[4363,"CC1=C(CCCO1)C(=O)Nc2ccccc2","24691-76-7","CC1=C(C(=O)Nc2ccccc2)CCCO1","CC=1OCCCC1C(=O)Nc2ccccc2",{"$nulls":4},217.11027872,"?"]
[4364,"Cc1occc1C(=O)Nc2ccccc2","24691-80-3","Cc1occc1C(=O)Nc1ccccc1","Cc1c(cco1)C(=O)Nc2ccccc2",{"$nulls":4},201.078978592,"?"]
[4365,"CCCCC(CCC(O)=O)CC(O)=O","24767-93-9","CCCCC(CCC(=O)O)CC(=O)O","CCCCC(CCC(=O)O)CC(=O)O",{"$nulls":4},202.120509056,"?"]
[4366,"CN1C=Nc2nccnc2C1=O","24851-65-8","Cn1cnc2nccnc2c1=O","Cn1c(c2c(nc1)nccn2)=O",{"$nulls":4},162.054160812,"?"]
[4367,null,"24851-98-7",{"$nulls":7},""]
[4368,"O=C1N=CNc2nc(c3ccccc3)c(nc12)c4ccccc4","24863-39-6","O=c1nc[nH]c2nc(-c3ccccc3)c(-c3ccccc3)nc12","O=c1c2c([nH]cn1)nc(-c3ccccc3)c(-c4ccccc4)n2",{"$nulls":4},300.10111100400036,"?"]
[4369,"Cc1cccc(I)c1O","24885-45-8","Cc1cccc(I)c1O","Cc1c(c(ccc1)I)O",{"$nulls":4},233.954162844,"?"]
[4370,null,"24910-68-7",{"$nulls":7},""]
[4371,null,"24910-69-8",{"$nulls":7},""]
[4372,null,"24910-73-4",{"$nulls":7},""]
[4373,"CCO[P](=S)(OCC)SCCl","24934-91-6","CCOP(=S)(OCC)SCCl","CCOP(=S)(OCC)SCCl",{"$nulls":4},233.97048593399998,"?"]
[4374,"Cc1ccccc1C=C","25013-15-4","C=Cc1ccccc1C","C=Cc1c(cccc1)C",{"$nulls":4},118.07825032,"?"]
[4375,"CC(C)N1C(=O)c2ccccc2N[S]1(=O)=O","25057-89-0","CC(C)N1C(=O)c2ccccc2NS1(=O)=O","CC(C)N1S(Nc2c(C1=O)cccc2)(=O)=O",{"$nulls":4},240.056863244,"?"]
[4376,"CCOC(=O)CN1C(=O)Sc2cccc(Cl)c12","25059-80-7","CCOC(=O)Cn1c(=O)sc2cccc(Cl)c21","CCOC(=O)Cn1c2c(sc1=O)cccc2Cl",{"$nulls":4},271.0069918600003,"?"]
[4377,"OC(=O)COc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O","25141-25-7","O=C(O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},242.01750053199999,"?"]
[4378,null,"25154-52-3",{"$nulls":7},""]
[4379,null,"25154-54-5",{"$nulls":7},""]
[4380,null,"25155-15-1",{"$nulls":7},""]
[4381,"Oc1ccccc1Cl","25167-80-0","Oc1ccccc1Cl","Oc1c(cccc1)Cl",{"$nulls":4},128.00289246,"?"]
[4382,"Cc1ccccc1Cl","25168-05-2","Cc1ccccc1Cl","Cc1c(cccc1)Cl",{"$nulls":4},126.023627904,"?"]
[4383,null,"25168-26-7",{"$nulls":7},""]
[4384,null,"25264-93-1",{"$nulls":7},""]
[4385,"CC(O)COC(C)CO","25265-71-8","CC(O)COC(C)CO","CC(O)COC(C)CO",{"$nulls":4},134.094294308,"?"]
[4386,"CCCCI","25267-27-0","CCCCI","CCCCI",{"$nulls":4},183.974898288,"?"]
[4387,"CCO[P](=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C","25311-71-1","CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C","CCOP(=S)(NC(C)C)Oc1c(cccc1)C(=O)OC(C)C",{"$nulls":4},345.11636587800064,"?"]
[4388,null,"25315-34-8",{"$nulls":7},""]
[4389,"N[S](=O)(=O)c1ccc(NC2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1","25318-84-7","NS(=O)(=O)c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1","NS(=O)(=O)c1ccc(cc1)NC2C(C(C(C(O2)CO)O)O)O",{"$nulls":4},334.08347191600046,"?"]
[4390,"CCSC(=O)COc1ccc(Cl)cc1C","25319-90-8","CCSC(=O)COc1ccc(Cl)cc1C","CCSC(=O)COc1c(cc(cc1)Cl)C",{"$nulls":4},244.032478336,"?"]
[4391,"CC(C)c1ccccc1C(C)C","25321-09-9","CC(C)c1ccccc1C(C)C","CC(C)c1c(cccc1)C(C)C",{"$nulls":4},162.140850576,"?"]
[4392,"Cc1cccc(c1[N+]([O-])=O)[N+]([O-])=O","25321-14-6","Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-]","Cc1c(c(ccc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},182.032756672,"?"]
[4393,"Clc1ccccc1Cl","25321-22-6","Clc1ccccc1Cl","Clc1c(cccc1)Cl",{"$nulls":4},145.969005488,"?"]
[4394,null,"25322-20-7",{"$nulls":7},""]
[4395,"CC(Cl)(Cl)Cl","25323-89-1","CC(Cl)(Cl)Cl","CC(Cl)(Cl)Cl",{"$nulls":4},131.930033136,"?"]
[4396,"CCc1ccccc1CC","25340-17-4","CCc1ccccc1CC","CCc1c(cccc1)CC",{"$nulls":4},134.109550448,"?"]
[4397,null,"25355-34-4",{"$nulls":7},""]
[4398,"CNC(=O)N(C)c1sc(nn1)C(F)(F)F","25366-23-8","CNC(=O)N(C)c1nnc(C(F)(F)F)s1","CNC(=O)N(C)c1sc(nn1)C(F)(F)F",{"$nulls":4},240.029266504,"?"]
[4399,"BrC=CBr","25429-23-6","BrC=CBr","BrC=CBr",{"$nulls":4},183.852324264,"?"]
[4400,"OC(=O)C(O)=Cc1ccccc1","25429-38-3","O=C(O)C(O)=Cc1ccccc1","O=C(O)C(O)=Cc1ccccc1",{"$nulls":4},164.04734411599998,"?"]
[4401,"COCC(C)OCC(C)OC(C)CO","25498-49-1","COCC(C)OCC(C)OC(C)CO","COCC(C)OCC(C)OC(C)CO",{"$nulls":4},206.151809184,"?"]
[4402,"Clc1cccc(c2ccccc2)c1Cl","25512-42-9","Clc1cccc(-c2ccccc2)c1Cl","Clc1c(c(ccc1)-c2ccccc2)Cl",{"$nulls":4},222.000305616,"?"]
[4403,"CCc1ccccc1C","25550-14-5","CCc1ccccc1C","CCc1c(cccc1)C",{"$nulls":4},120.093900384,"?"]
[4404,"Oc1cccc(c1[N+]([O-])=O)[N+]([O-])=O","25550-58-7","O=[N+]([O-])c1cccc(O)c1[N+](=O)[O-]","O=[N+]([O-])c1c(c(ccc1)O)[N+](=O)[O-]",{"$nulls":4},184.012021228,"?"]
[4405,"Clc1cccc(c1)c2ccccc2Cl","25569-80-6","Clc1cccc(-c2ccccc2Cl)c1","Clc1cc(ccc1)-c2c(cccc2)Cl",{"$nulls":4},222.000305616,"?"]
[4406,"CC(Br)Br","25620-62-6","CC(Br)Br","CC(Br)Br",{"$nulls":4},185.867974328,"?"]
[4407,"CC(C)c1ccccc1c2ccccc2","25640-78-2","CC(C)c1ccccc1-c1ccccc1","CC(C)c1c(cccc1)-c2ccccc2",{"$nulls":4},196.125200512,"?"]
[4408,null,"25646-09-7",{"$nulls":7},""]
[4409,"CCC(Cl)(Cl)Cl","25735-29-9","CCC(Cl)(Cl)Cl","CCC(Cl)(Cl)Cl",{"$nulls":4},145.9456832,"?"]
[4410,"CCCCCCO","25917-35-5","CCCCCCO","CCCCCCO",{"$nulls":4},102.104465068,"?"]
[4411,"[NH4+].CCO[P]([O-])(=O)C(N)=O","25954-13-6","CCOP(=O)([O-])C(N)=O","CCOP(=O)(O)C(N)=O","[NH4+]",{"$nulls":3},170.04564346200002,"Structure has been neutralized"]
[4412,"CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C","26002-80-2","CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(ccc2)Oc3ccccc3)(C)C",{"$nulls":4},350.1881946920007,"?"]
[4413,"CSC1=CC(=O)c2ccccc2C1=O","26037-60-5","CSC1=CC(=O)c2ccccc2C1=O","CSC=1C(c2c(C(C1)=O)cccc2)=O",{"$nulls":4},204.024500496,"?"]
[4414,null,"26087-47-8",{"$nulls":7},""]
[4415,"CCOC1Oc2ccc(O[S](C)(=O)=O)cc2C1(C)C","26225-79-6","CCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C","CCOC1C(c2c(O1)ccc(OS(C)(=O)=O)c2)(C)C",{"$nulls":4},286.0874946760005,"?"]
[4416,"Brc1ccccc1Br","26249-12-7","Brc1ccccc1Br","Brc1c(cccc1)Br",{"$nulls":4},233.867974328,"?"]
[4417,"CCNc1nc(NC(C)CC)nc(OC)n1","26259-45-0","CCNc1nc(NC(C)CC)nc(OC)n1","CCNc1nc(nc(n1)NC(C)CC)OC",{"$nulls":4},225.15896022799998,"?"]
[4418,"CCCN(CC1CC1)c2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","26399-36-0","CCCN(CC1CC1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},347.1092906520004,"?"]
[4419,"CNC(=O)ON=CC1(C)SCC(C)S1","26419-73-8","CNC(=O)ON=CC1(C)SCC(C)S1","CNC(=O)ON=CC1(SC(CS1)C)C",{"$nulls":4},234.049669688,"?"]
[4420,"Cc1ccc(O[P](=O)(Oc2ccccc2)Oc3ccccc3)cc1","26444-49-5","Cc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1","Cc1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3ccccc3",{"$nulls":4},340.0864456540005,"?"]
[4421,"Cc1ccccc1O[P](=O)(Oc2ccccc2)Oc3ccccc3C","26446-73-1","Cc1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1C","Cc1c(cccc1)OP(=O)(Oc2ccccc2)Oc3c(cccc3)C",{"$nulls":4},354.10209571800056,"?"]
[4422,"CCCCCCCCN1SC=CC1=O","26530-20-1","CCCCCCCCn1sccc1=O","CCCCCCCCn1c(ccs1)=O",{"$nulls":4},213.118735228,"?"]
[4423,"Clc1ccccc1c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","26601-64-9","Clc1ccccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4424,"CCO[P](=O)(OCC)OCC(C)C","26628-97-7","CCOP(=O)(OCC)OCC(C)C","CCOP(=O)(OCC)OCC(C)C",{"$nulls":4},210.102095718,"?"]
[4425,"CCC(Cl)Cl","26638-19-7","CCC(Cl)Cl","CCC(Cl)Cl",{"$nulls":4},111.98465555199999,"?"]
[4426,"FC(F)OC(Cl)C(F)(F)F","26675-46-7","FC(F)OC(Cl)C(F)(F)F","FC(F)OC(Cl)C(F)(F)F",{"$nulls":4},183.971433464,"?"]
[4427,"CC(=O)C(CC(O)=O)=Cc1ccccc1","26717-32-8","CC(=O)C(=Cc1ccccc1)CC(=O)O","CC(=O)C(=Cc1ccccc1)CC(=O)O",{"$nulls":4},204.078644244,"?"]
[4428,"COC(=O)C=C(C)O[P](=O)(OC)OC","26718-65-0","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",{"$nulls":4},224.044974766,"?"]
[4429,"NC(=O)N(c1ccccc1)c2ccccc2","26763-63-3","NC(=O)N(c1ccccc1)c1ccccc1","NC(=O)N(c1ccccc1)c2ccccc2",{"$nulls":4},212.094963004,"?"]
[4430,"NCC(C(O)=O)C(O)=O","26767-88-4","NCC(C(=O)O)C(=O)O","NCC(C(=O)O)C(=O)O",{"$nulls":4},133.037507704,"?"]
[4431,"BrC1=CNC(=NC1=O)c2ccccc2","26786-28-7","O=c1nc(-c2ccccc2)[nH]cc1Br","O=c1c(c[nH]c(n1)-c2ccccc2)Br",{"$nulls":4},249.974174944,"?"]
[4432,"CCCCC#C","26856-30-4","C#CCCCC","C#CCCCC",{"$nulls":4},82.07825032,"?"]
[4433,"Clc1cc(c2ccccc2)c(Cl)c(Cl)c1Cl","26914-33-0","Clc1cc(-c2ccccc2)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2ccccc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4434,"CC(C)CCCCCO","26952-21-6","CC(C)CCCCCO","CC(C)CCCCCO",{"$nulls":4},130.135765196,"?"]
[4435,"CC=C(Cl)Cl","26952-23-8","CC=C(Cl)Cl","CC=C(Cl)Cl",{"$nulls":4},109.969005488,"?"]
[4436,null,"26962-26-5",{"$nulls":7},""]
[4437,"O=C(NC(=O)c1cccnc1)Nc2ccccc2","26972-01-0","O=C(NC(=O)c1cccnc1)Nc1ccccc1","O=C(NC(=O)c1cnccc1)Nc2ccccc2",{"$nulls":4},241.085126592,"?"]
[4438,null,"27038-96-6",{"$nulls":7},""]
[4439,"CC(O)COC(C)CO.OC(=O)c1ccccc1.OC(=O)c2ccccc2","27138-31-4","CC(O)COC(C)CO","CC(O)COC(C)CO","OC(=O)c1ccccc1","OC(=O)c1ccccc1",null,null,378.16785317200004,"?"]
[4440,"Nc1ccc(cc1)[S](=O)(=O)c2ccccc2N","27147-69-9","Nc1ccc(S(=O)(=O)c2ccccc2N)cc1","Nc1ccc(cc1)S(=O)(=O)c2c(cccc2)N",{"$nulls":4},248.061948624,"?"]
[4441,"ClC1(Cl)CCCC(Cl)(Cl)C1(Cl)Cl","27154-44-5","ClC1(Cl)CCCC(Cl)(Cl)C1(Cl)Cl","ClC1(C(C(CCC1)(Cl)Cl)(Cl)Cl)Cl",{"$nulls":4},287.86006627200015,"?"]
[4442,"CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C","27178-16-1","CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C","CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C",{"$nulls":4},426.3709100800014,"?"]
[4443,"CCCCCCCCCCCCCCO","27196-00-5","CCCCCCCCCCCCCCO","CCCCCCCCCCCCCCO",{"$nulls":4},214.22966558,"?"]
[4444,"CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F)F","27314-13-2","CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl","CNc1c(c(n(nc1)-c2cc(ccc2)C(F)(F)F)=O)Cl",{"$nulls":4},303.03862424800025,"?"]
[4445,null,"27321-61-5",{"$nulls":7},""]
[4446,"Clc1ccc2C(=O)OC(Cl)(Cl)c2c1Cl","27355-22-2","O=C1OC(Cl)(Cl)c2c1ccc(Cl)c2Cl","O=C1c2c(C(O1)(Cl)Cl)c(c(cc2)Cl)Cl",{"$nulls":4},269.88089002400005,"?"]
[4447,"CCOC(=O)Cc1[nH]nc2ccc(Cl)cc12","27512-72-7","CCOC(=O)Cc1[nH]nc2ccc(Cl)cc12","CCOC(=O)Cc1c2c(n[nH]1)ccc(Cl)c2",{"$nulls":4},238.050905272,"?"]
[4448,"ClC(Cl)C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O","27541-88-4","O=C1C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c2ccccc21","O=C1c2c(C(C(=C1Cl)NC(=O)C(Cl)Cl)=O)cccc2",{"$nulls":4},316.9413260920001,"?"]
[4449,"CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C","27554-26-3","CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C","CC(C)CCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC(C)C",{"$nulls":4},390.2770096960011,"?"]
[4450,"OC(=O)c1cccc(Cl)c1C(O)=O","27563-65-1","O=C(O)c1cccc(Cl)c1C(=O)O","O=C(O)c1c(c(ccc1)Cl)C(=O)O",{"$nulls":4},199.98763632,"?"]
[4451,"C=CCOC1=N[S](=O)(=O)c2ccccc12","27605-76-1","C=CCOC1=NS(=O)(=O)c2ccccc21","C=CCOC=1c2c(S(N1)(=O)=O)cccc2",{"$nulls":4},223.030314148,"?"]
[4452,null,"27762-78-3",{"$nulls":7},""]
[4453,"Brc1ccc(c(Br)c1Br)c2c(Br)c(Br)c(Br)c(Br)c2Br","27858-07-7","Brc1ccc(-c2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br","Brc1c(c(c(cc1)-c2c(c(c(c(c2Br)Br)Br)Br)Br)Br)Br",{"$nulls":4},777.3623468640002,"?"]
[4454,"CCC(CC(CC)C(O)=O)C(O)=O","27899-21-4","CCC(CC(CC)C(=O)O)C(=O)O","CCC(CC(CC)C(=O)O)C(=O)O",{"$nulls":4},188.104858992,"?"]
[4455,"CN1N(C(=CC1=S)C)c2ccccc2","28022-64-2","Cc1cc(=S)n(C)n1-c1ccccc1","Cc1n(n(c(c1)=S)C)-c2ccccc2",{"$nulls":4},204.072119384,"?"]
[4456,null,"28108-99-8",{"$nulls":7},""]
[4457,"S=C1NC=C2N=CN=C2N1","28128-19-0","S=c1[nH]cc2ncnc-2[nH]1","S=c1[nH]c2-c(c[nH]1)ncn2",{"$nulls":4},152.015667128,"?"]
[4458,"Oc1ccc(c(c2ccccc2)c1[N+]([O-])=O)[N+]([O-])=O","28174-58-5","O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1-c1ccccc1","O=[N+]([O-])c1c(c(c(cc1)O)[N+](=O)[O-])-c2ccccc2",{"$nulls":4},260.04332135600015,"?"]
[4459,"CN(C)C(=S)Nc1ccc(Cl)cc1C","28217-97-2","Cc1cc(Cl)ccc1NC(=S)N(C)C","Cc1c(ccc(c1)Cl)NC(=S)N(C)C",{"$nulls":4},228.048797096,"?"]
[4460,"CCN(CC)C(=O)SCc1ccc(Cl)cc1","28249-77-6","CCN(CC)C(=O)SCc1ccc(Cl)cc1","CCN(CC)C(=O)SCc1ccc(cc1)Cl",{"$nulls":4},257.064112812,"?"]
[4461,"[O-][N+](=O)c1ccc(Cl)c(c1[N+]([O-])=O)[N+]([O-])=O","28260-61-9","O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1[N+](=O)[O-]","O=[N+]([O-])c1c(c(c(cc1)Cl)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},246.963212464,"?"]
[4462,null,"28419-69-4",{"$nulls":7},""]
[4463,"CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","28434-01-7","CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C",{"$nulls":4},338.1881946920007,"?"]
[4464,"OC(=O)[CH]1CC[CH](SS1)C(O)=O","28463-60-7","O=C(O)C1CCC(C(=O)O)SS1","O=C(O)C1SSC(CC1)C(=O)O",{"$nulls":4},207.986400736,"?"]
[4465,"CN1C=C(C(=O)NC1=O)[N+]([O-])=O","28495-88-7","Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O","Cn1c([nH]c(c(c1)[N+](=O)[O-])=O)=O",{"$nulls":4},171.02800564,"?"]
[4466,"CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C","28553-12-0","CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C","CC(C)CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCC(C)C",{"$nulls":4},418.3083098240012,"?"]
[4467,null,"28587-41-9",{"$nulls":7},""]
[4468,null,"28587-42-0",{"$nulls":7},""]
[4469,"Brc1cccc(Br)c1Br","28779-08-0","Brc1cccc(Br)c1Br","Brc1c(c(ccc1)Br)Br",{"$nulls":4},311.77848639600006,"?"]
[4470,"OC(=O)c1cc(Cl)cc(C(O)=O)c1C(O)=O","29016-74-8","O=C(O)c1cc(Cl)cc(C(=O)O)c1C(=O)O","O=C(O)c1c(c(cc(c1)Cl)C(=O)O)C(=O)O",{"$nulls":4},243.97746556,"?"]
[4471,null,"29063-28-3",{"$nulls":7},""]
[4472,"CCN(CC)c1c(cc(c(N)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","29091-05-2","CCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]","CCN(CC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]",{"$nulls":4},322.0888895560003,"?"]
[4473,"CCCN(CCC)c1c(cc(c(N)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","29091-21-2","CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]","CCCN(CCC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]",{"$nulls":4},350.1201896840004,"?"]
[4474,"CCN(OC(=O)c1ccccc1)C(=O)c2c(OC)ccc(Cl)c2OC","29104-30-1","CCN(OC(=O)c1ccccc1)C(=O)c1c(OC)ccc(Cl)c1OC","CCN(OC(=O)c1ccccc1)C(=O)c2c(c(ccc2OC)Cl)OC",{"$nulls":4},363.08735035600046,"?"]
[4475,"CC(C)NCC(O)COc1ccc(CC(N)=O)cc1","29122-68-7","CC(C)NCC(O)COc1ccc(CC(N)=O)cc1","CC(C)NCC(O)COc1ccc(cc1)CC(N)=O",{"$nulls":4},266.1630425640003,"?"]
[4476,"CCC(CC)(C(N)=O)C(N)=O","29141-71-7","CCC(CC)(C(N)=O)C(N)=O","CCC(CC)(C(N)=O)C(N)=O",{"$nulls":4},158.105527688,"?"]
[4477,"COC(=O)N(C)C(=O)CS[P](C)(=S)OC","29173-31-7","COC(=O)N(C)C(=O)CSP(C)(=S)OC","COC(=O)N(C)C(=O)CSP(C)(=S)OC",{"$nulls":4},271.0101865580004,"?"]
[4478,"CCN(CC)c1nc(C)cc(O[P](=S)(OC)OC)n1","29232-93-7","CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1","CCN(CC)c1nc(cc(n1)C)OP(=S)(OC)OC",{"$nulls":4},305.09629913000055,"?"]
[4479,"CC(C)c1cccc2ccccc12","29253-36-9","CC(C)c1cccc2ccccc12","CC(C)c1c2c(ccc1)cccc2",{"$nulls":4},170.109550448,"?"]
[4480,"CCCCCCCCCCCCCCCCO","29354-98-1","CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCO",{"$nulls":4},242.260965708,"?"]
[4481,null,"29415-97-2",{"$nulls":7},""]
[4482,"Clc1cc2Oc3ccccc3Oc2cc1Cl","29446-15-9","Clc1cc2c(cc1Cl)Oc1ccccc1O2","Clc1c(cc2c(c1)Oc3c(O2)cccc3)Cl",{"$nulls":4},251.974484792,"?"]
[4483,"N[CH](CSSc1ccccc1)C(O)=O","29475-97-6","NC(CSSc1ccccc1)C(=O)O","NC(CSSc1ccccc1)C(=O)O",{"$nulls":4},229.023120592,"?"]
[4484,null,"29482-83-5",{"$nulls":7},""]
[4485,"ON(c1ccccc1)C(=O)c2cccc3ccccc23","29556-17-0","O=C(c1cccc2ccccc12)N(O)c1ccccc1","O=C(c1c2c(ccc1)cccc2)N(O)c3ccccc3",{"$nulls":4},263.0946286560002,"?"]
[4486,"ON(C(=O)c1ccccc1)c2cccc3ccccc23","29556-18-1","O=C(c1ccccc1)N(O)c1cccc2ccccc12","O=C(c1ccccc1)N(O)c2c3c(ccc2)cccc3",{"$nulls":4},263.0946286560002,"?"]
[4487,"ON(c1ccccc1)C(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O","29556-22-7","O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(O)c1ccccc1","O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N(O)c2ccccc2",{"$nulls":4},303.04913500800023,"?"]
[4488,"CCC(C)(NC=O)C(O)=O","29588-10-1","CCC(C)(NC=O)C(=O)O","CCC(C)(NC=O)C(=O)O",{"$nulls":4},145.073893212,"?"]
[4489,"NC(=S)SCC(O)=O","29596-83-6","NC(=S)SCC(=O)O","NC(=S)SCC(=O)O",{"$nulls":4},150.9761704,"?"]
[4490,null,"29677-65-4",{"$nulls":7},""]
[4491,"O=C(NCCc1c[nH]cn1)c2ccccc2","29677-71-2","O=C(NCCc1c[nH]cn1)c1ccccc1","O=C(NCCc1nc[nH]c1)c2ccccc2",{"$nulls":4},215.105862036,"?"]
[4492,"CC(C)CCCCCCCO[P](=O)(Oc1ccccc1)Oc2ccccc2","29761-21-5","CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1","CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2",{"$nulls":4},390.19599610200083,"?"]
[4493,"CCCOCC(C)OCC(C)O","29911-27-1","CCCOCC(C)OCC(C)O","CCCOCC(C)OCC(C)O",{"$nulls":4},176.1412445,"?"]
[4494,"CCCCOCC(C)OCC(C)O","29911-28-2","CCCCOCC(C)OCC(C)O","CCCCOCC(C)OCC(C)O",{"$nulls":4},190.156894564,"?"]
[4495,"CCN(CC)c1ncnc(N)n1","29919-17-3","CCN(CC)c1ncnc(N)n1","CCN(CC)c1nc(ncn1)N",{"$nulls":4},167.11709541599998,"?"]
[4496,"CCSCc1ccccc1OC(=O)NC","29973-13-5","CCSCc1ccccc1OC(=O)NC","CCSCc1c(cccc1)OC(=O)NC",{"$nulls":4},225.08234972,"?"]
[4497,null,"30031-64-2",{"$nulls":7},""]
[4498,"CC[S](=O)(=O)c1sc(nn1)N(C)C(=O)NC","30043-49-3","CCS(=O)(=O)c1nnc(N(C)C(=O)NC)s1","CCS(=O)(=O)c1sc(nn1)N(C)C(=O)NC",{"$nulls":4},264.0350822440002,"?"]
[4499,"CC[S](=O)(=O)CCBr","30129-83-0","CCS(=O)(=O)CCBr","CCS(=O)(=O)CCBr",{"$nulls":4},199.950662628,"?"]
[4500,null,"30236-28-3",{"$nulls":7},""]
[4501,null,"30365-50-5",{"$nulls":7},""]
[4502,"CCNc1ncnc(N)n1","30368-49-1","CCNc1ncnc(N)n1","CCNc1nc(ncn1)N",{"$nulls":4},139.08579528799999,"?"]
[4503,"CNc1ncnc(NC)n1","30368-50-4","CNc1ncnc(NC)n1","CNc1nc(ncn1)NC",{"$nulls":4},139.08579528799999,"?"]
[4504,"CCC1CCC(O)O1","30414-44-9","CCC1CCC(O)O1","CCC1OC(CC1)O",{"$nulls":4},116.083729624,"?"]
[4505,null,"30419-67-1",{"$nulls":7},""]
[4506,"CC1CCC2(CCC(C)O2)O1","30483-86-4","CC1CCC2(CCC(C)O2)O1","CC1OC2(CC1)OC(CC2)C",{"$nulls":4},156.115029752,"?"]
[4507,"CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO)O2)C(=O)NC1=O","30516-87-1","Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O","Cc1c([nH]c(n(c1)C2OC(C(C2)N=[N+]=[N-])CO)=O)=O",{"$nulls":4},267.09675389600034,"?"]
[4508,"OCCOCCOC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F","30544-47-9","O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1","O=C(OCCOCCO)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F",{"$nulls":4},369.1187927160005,"?"]
[4509,"CO[P](=O)(NC(C)=O)SC","30560-19-1","COP(=O)(NC(C)=O)SC","COP(=O)(NC(C)=O)SC",{"$nulls":4},183.01190081,"?"]
[4510,"COc1ncnc2nccnc12","30564-38-6","COc1ncnc2nccnc12","COc1c2c(ncn1)nccn2",{"$nulls":4},162.054160812,"?"]
[4511,"CCO[P](=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12","30725-71-4","CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2",{"$nulls":4},366.9868642700004,"?"]
[4512,"Clc1c(Cl)c(Cl)c2Oc3ccccc3Oc2c1Cl","30746-58-8","Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1ccccc1O2","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)cccc3)Cl",{"$nulls":4},319.8965400880001,"?"]
[4513,"C1c2ccccc2c3ccc4ccccc4c13","30777-18-5","c1ccc2c(c1)Cc1c-2ccc2ccccc12","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4",{"$nulls":4},216.093900384,"?"]
[4514,"C1c2ccccc2c3cc4ccccc4cc13","30777-19-6","c1ccc2c(c1)Cc1cc3ccccc3cc1-2","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3",{"$nulls":4},216.093900384,"?"]
[4515,"COC(=O)C(C)=CO[P](=S)(OC)OC","30864-28-9","COC(=O)C(C)=COP(=S)(OC)OC","COC(=O)C(C)=COP(=S)(OC)OC",{"$nulls":4},240.022131146,"?"]
[4516,"CN(CCO)c1nc2N(C)C(=O)N(C)C(=O)c2n1C","30924-31-3","CN(CCO)c1nc2c(c(=O)n(C)c(=O)n2C)n1C","CN(CCO)c1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",{"$nulls":4},267.1331394040003,"?"]
[4517,"OC(=O)CC(O)(C(O)=O)c1ccccc1","30952-65-9","O=C(O)CC(O)(C(=O)O)c1ccccc1","O=C(O)CC(O)(C(=O)O)c1ccccc1",{"$nulls":4},210.05282342,"?"]
[4518,"CC(C)CNC(=O)N1CCNC1=O","30979-48-7","CC(C)CNC(=O)N1CCNC1=O","CC(C)CNC(=O)N1C(NCC1)=O",{"$nulls":4},185.11642672,"?"]
[4519,"CC1=CSC(=S)N1CC(O)=O","31090-12-7","Cc1csc(=S)n1CC(=O)O","Cc1n(c(sc1)=S)CC(=O)O",{"$nulls":4},188.991820464,"?"]
[4520,"CN(C(C)=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)NC2[CH](O)OC(CO)[CH](O)C2O)c1I","31112-62-6","CC(=O)Nc1c(I)c(C(=O)NC2C(O)OC(CO)C(O)C2O)c(I)c(N(C)C(C)=O)c1I","CC(=O)Nc1c(c(c(c(c1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(C)=O)I",{"$nulls":4},788.8541086640007,"?"]
[4521,"CCN[P](=S)(OC)OC(C)=CC(=O)OC(C)C","31218-83-4","CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C","CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C",{"$nulls":4},281.0850657500006,"?"]
[4522,null,"31293-71-7",{"$nulls":7},""]
[4523,"CC[S](=O)(=O)CI","31355-01-8","CCS(=O)(=O)CI","CCS(=O)(=O)CI",{"$nulls":4},233.921148464,"?"]
[4524,"CCCCC(C)C(C)O","31367-46-1","CCCCC(C)C(C)O","CCCCC(C)C(C)O",{"$nulls":4},130.135765196,"?"]
[4525,"COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3","31431-39-7","COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1","COC(=O)Nc1[nH]c2c(n1)ccc(C(=O)c3ccccc3)c2",{"$nulls":4},295.09569127600037,"?"]
[4526,null,"31508-00-6",{"$nulls":7},""]
[4527,"Cc1cc2cccc3ccc4c5ccccc5cc1c4c23","31647-36-6","Cc1cc2cccc3ccc4c5ccccc5cc1c4c32","Cc1c2cc3c(c4ccc5cccc(c1)c5c42)cccc3",{"$nulls":4},266.1095504480003,"?"]
[4528,"CC(C)(O)CCCC1=CCC(CC1)C=O","31906-04-4","CC(C)(O)CCCC1=CCC(C=O)CC1","CC(C)(O)CCCC=1CCC(CC1)C=O",{"$nulls":4},210.161979944,"?"]
[4529,"Clc1cc2c(Cl)c(Cl)c(Cl)c(Cl)c2c(Cl)c1Cl","32241-08-0","Clc1cc2c(Cl)c(Cl)c(Cl)c(Cl)c2c(Cl)c1Cl","Clc1c(c(c2c(c1)c(Cl)c(Cl)c(Cl)c2Cl)Cl)Cl",{"$nulls":4},365.789793792,"?"]
[4530,"NC1N=C(N)NC(=O)C1=O","32267-39-3","NC1=NC(N)C(=O)C(=O)N1","NC=1NC(C(C(N1)N)=O)=O",{"$nulls":4},142.049075432,"?"]
[4531,"OC(=O)c1oc(Cl)c(Cl)c1Cl","32417-81-5","O=C(O)c1oc(Cl)c(Cl)c1Cl","O=C(O)c1c(c(c(o1)Cl)Cl)Cl",{"$nulls":4},213.89912693199997,"?"]
[4532,"CCCCCCC(CC=CCCCCCCCC(O)=O)O[S](O)(=O)=O","32430-00-5","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O",{"$nulls":4},378.2076098080009,"?"]
[4533,null,"32431-29-1",{"$nulls":7},""]
[4534,"OC(C=O)C1OC(=O)C(O)C1O","32449-92-6","O=CC(O)C1OC(=O)C(O)C1O","O=CC(O)C1C(C(C(O1)=O)O)O",{"$nulls":4},176.032087976,"?"]
[4535,"OC(=O)c1occ(Br)c1Br","32460-04-1","O=C(O)c1occ(Br)c1Br","O=C(O)c1c(c(co1)Br)Br",{"$nulls":4},267.8370681240001,"?"]
[4536,"CC1=CSC(=O)N1","32497-10-2","Cc1csc(=O)[nH]1","Cc1[nH]c(sc1)=O",{"$nulls":4},115.00918478,"?"]
[4537,"NC(C(O)C(O)=O)C(N)=O","32503-98-3","NC(=O)C(N)C(O)C(=O)O","NC(=O)C(N)C(O)C(=O)O",{"$nulls":4},148.048406736,"?"]
[4538,"CCC1=CNC(=O)N=C1N","32550-24-6","CCc1c[nH]c(=O)nc1N","CCc1c(nc([nH]c1)=O)N",{"$nulls":4},139.074561908,"?"]
[4539,"Clc1ccc(c(Cl)c1)c2ccc(Cl)c(Cl)c2","32598-10-0","Clc1ccc(-c2ccc(Cl)c(Cl)c2)c(Cl)c1","Clc1cc(c(cc1)-c2cc(c(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4540,"Clc1ccc(Cl)c(c1)c2ccc(Cl)c(Cl)c2","32598-11-1","Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4541,"Clc1ccc(cc1)c2c(Cl)cc(Cl)cc2Cl","32598-12-2","Clc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(cc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4542,"Clc1ccc(cc1Cl)c2ccc(Cl)c(Cl)c2","32598-13-3","Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1Cl","Clc1c(cc(cc1)-c2cc(c(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4543,"Clc1ccc(cc1Cl)c2ccc(Cl)c(Cl)c2Cl","32598-14-4","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4544,null,"32620-68-1",{"$nulls":7},""]
[4545,null,"32620-72-7",{"$nulls":7},""]
[4546,"Clc1ccc(cc1)c2cc(Cl)c(Cl)cc2Cl","32690-93-0","Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4547,"OC(=O)[CH]1CC[CH](SS1)C(O)=O","32737-66-9","O=C(O)C1CCC(C(=O)O)SS1","O=C(O)C1SSC(CC1)C(=O)O",{"$nulls":4},207.986400736,"?"]
[4548,null,"32754-29-3",{"$nulls":7},""]
[4549,null,"32774-16-6",{"$nulls":7},""]
[4550,"CC12CC1(C)C(=O)N(C2=O)c3cc(Cl)cc(Cl)c3","32809-16-8","CC12CC1(C)C(=O)N(c1cc(Cl)cc(Cl)c1)C2=O","CC12C(C1)(C)C(=O)N(c3cc(cc(c3)Cl)Cl)C2=O",{"$nulls":4},283.01668395200034,"?"]
[4551,"COc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O","32861-85-1","COc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]","COc1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]",{"$nulls":4},312.9908631280002,"?"]
[4552,"OC(=O)C=Cc1cccc(Br)c1","32862-97-8","O=C(O)C=Cc1cccc(Br)c1","O=C(O)C=Cc1cc(ccc1)Br",{"$nulls":4},225.962941564,"?"]
[4553,null,"33025-41-1",{"$nulls":7},""]
[4554,"CN(C=Nc1ccc(C)cc1C)C=Nc2ccc(C)cc2C","33089-61-1","Cc1ccc(N=CN(C)C=Nc2ccc(C)cc2C)c(C)c1","Cc1cc(c(cc1)N=CN(C)C=Nc2c(cc(cc2)C)C)C",{"$nulls":4},293.18919773600066,"?"]
[4555,"Clc1cc(Cl)c(c(Cl)c1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl","33091-17-7","Clc1cc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4556,"CCCC(=O)Nc1ccccc1","33098-65-6","CCCC(=O)Nc1ccccc1","CCCC(=O)Nc1ccccc1",{"$nulls":4},163.099714036,"?"]
[4557,"Clc1cccc(Cl)c1c2ccccc2","33146-45-1","Clc1cccc(Cl)c1-c1ccccc1","Clc1c(c(ccc1)Cl)-c2ccccc2",{"$nulls":4},222.000305616,"?"]
[4558,null,"33213-65-9",{"$nulls":7},""]
[4559,"CCCN(CCCl)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","33245-39-5","CCCN(CCCl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},355.05466823600034,"?"]
[4560,"Clc1ccc(c(Cl)c1)c2ccccc2","33284-50-3","Clc1ccc(-c2ccccc2)c(Cl)c1","Clc1cc(c(cc1)-c2ccccc2)Cl",{"$nulls":4},222.000305616,"?"]
[4561,"Clc1cc(Cl)cc(c1)c2cc(Cl)cc(Cl)c2","33284-52-5","Clc1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4562,null,"33284-53-6",{"$nulls":7},""]
[4563,"Clc1cc(Cl)c(Cl)c(c2ccccc2)c1Cl","33284-54-7","Clc1cc(Cl)c(Cl)c(-c2ccccc2)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2ccccc2)Cl",{"$nulls":4},289.92236091200016,"?"]
[4564,null,"33376-25-9",{"$nulls":7},""]
[4565,"Clc1cc(Cl)c2Oc3cc(Cl)cc(Cl)c3Oc2c1","33423-92-6","Clc1cc(Cl)c2c(c1)Oc1c(Cl)cc(Cl)cc1O2","Clc1cc2c(c(c1)Cl)Oc3c(O2)c(Cl)cc(Cl)c3",{"$nulls":4},319.8965400880001,"?"]
[4566,null,"33492-49-8",{"$nulls":7},""]
[4567,"CCC(C)C(NC(C)=O)C(O)=O","33601-90-0","CCC(C)C(NC(C)=O)C(=O)O","CCC(C)C(NC(C)=O)C(=O)O",{"$nulls":4},173.10519334,"?"]
[4568,"CCC(C)Nc1c(cc(cc1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O","33629-47-9","CCC(C)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]","CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]",{"$nulls":4},295.15320615200056,"?"]
[4569,"CCNc1nc(NC(C)(C)C)nc(OC)n1","33693-04-8","CCNc1nc(NC(C)(C)C)nc(OC)n1","CCNc1nc(nc(n1)NC(C)(C)C)OC",{"$nulls":4},225.15896022799998,"?"]
[4570,"CC(=O)c1cc(O)c(O)c(O)c1","33709-29-4","CC(=O)c1cc(O)c(O)c(O)c1","CC(=O)c1cc(c(c(c1)O)O)O",{"$nulls":4},168.042258736,"?"]
[4571,"OC(=O)CC1=CC(=O)Oc2ccc3ccccc3c12","33739-01-4","O=C(O)Cc1cc(=O)oc2ccc3ccccc3c12","O=C(O)Cc1c2c(oc(c1)=O)ccc3c2cccc3",{"$nulls":4},254.0579088,"?"]
[4572,"CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)C(C)C)[N+]([O-])=O","33820-53-0","CCCN(CCC)c1c([N+](=O)[O-])cc(C(C)C)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-]",{"$nulls":4},309.1688562160006,"?"]
[4573,"Clc1ccc2Oc3cc(Cl)ccc3Oc2c1","33857-26-0","Clc1ccc2c(c1)Oc1ccc(Cl)cc1O2","Clc1cc2c(cc1)Oc3c(O2)ccc(Cl)c3",{"$nulls":4},251.974484792,"?"]
[4574,"NN[P](=O)(Oc1ccccc1)Oc2ccccc2","33862-44-1","NNP(=O)(Oc1ccccc1)Oc1ccccc1","NNP(=O)(Oc1ccccc1)Oc2ccccc2",{"$nulls":4},264.06637890600024,"?"]
[4575,null,"33979-03-2",{"$nulls":7},""]
[4576,"CNC(=O)N(C)c1sc(nn1)C(C)(C)C","34014-18-1","CNC(=O)N(C)c1nnc(C(C)(C)C)s1","CNC(=O)N(C)c1sc(nn1)C(C)(C)C",{"$nulls":4},228.104482132,"?"]
[4577,null,"34097-60-4",{"$nulls":7},""]
[4578,"CCSC(=S)N[CH](C)C(O)=O","34101-08-1","CCSC(=S)NC(C)C(=O)O","CCSC(=S)NC(C)C(=O)O",{"$nulls":4},193.023120592,"?"]
[4579,"CC(C)c1ccc(NC(=O)N(C)C)cc1","34123-59-6","CC(C)c1ccc(NC(=O)N(C)C)cc1","CC(C)c1ccc(cc1)NC(=O)N(C)C",{"$nulls":4},206.141913196,"?"]
[4580,"OC(=O)c1cc(Br)cc(C(O)=O)c1C(O)=O","34163-34-3","O=C(O)c1cc(Br)cc(C(=O)O)c1C(=O)O","O=C(O)c1c(c(cc(c1)Br)C(=O)O)C(=O)O",{"$nulls":4},287.92694998000013,"?"]
[4581,null,"34168-73-5",{"$nulls":7},""]
[4582,null,"34197-26-7",{"$nulls":7},""]
[4583,"CN(C)C(=O)Nc1ccc(N2N=C(OC2=O)C(C)(C)C)c(Cl)c1","34205-21-5","CN(C)C(=O)Nc1ccc(-n2nc(C(C)(C)C)oc2=O)c(Cl)c1","CN(C)C(=O)Nc1cc(c(cc1)-n2c(oc(n2)C(C)(C)C)=O)Cl",{"$nulls":4},338.1145681480005,"?"]
[4584,"CCOCN(C(=O)CCl)c1c(C)cccc1CC","34256-82-1","CCOCN(C(=O)CCl)c1c(C)cccc1CC","CCOCN(C(=O)CCl)c1c(cccc1C)CC",{"$nulls":4},269.11825656000036,"?"]
[4585,"CC(C)(c1ccccc1)c2ccccc2O[P](=O)(Oc3ccccc3)Oc4ccccc4","34364-42-6","CC(C)(c1ccccc1)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1","CC(C)(c1ccccc1)c2c(cccc2)OP(=O)(Oc3ccccc3)Oc4ccccc4",{"$nulls":4},444.14904591000067,"?"]
[4586,null,"34392-82-0",{"$nulls":7},""]
[4587,null,"34462-96-9",{"$nulls":7},""]
[4588,"Clc1cc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2cc1Cl","34465-46-8","Clc1cc2c(cc1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",{"$nulls":4},387.818595384,"?"]
[4589,"CCCC[Hg]C#N","34472-57-6","CCCC[Hg]C#N","CCCC[Hg]C#N",{"$nulls":4},285.0441422880003,"?"]
[4590,null,"34494-03-6",{"$nulls":7},""]
[4591,"COC(C)COC(C)CO","34590-94-8","COC(C)COC(C)CO","COC(C)COC(C)CO",{"$nulls":4},148.109944372,"?"]
[4592,"CCN(CC)C(=O)SCc1ccccc1Cl","34622-58-7","CCN(CC)C(=O)SCc1ccccc1Cl","CCN(CC)C(=O)SCc1c(cccc1)Cl",{"$nulls":4},257.064112812,"?"]
[4593,"CCCS[P](=S)(OCC)Oc1ccc(Cl)cc1Cl","34643-46-4","CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl","CCCSP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl",{"$nulls":4},343.96281371000043,"?"]
[4594,"CNC(=O)ON=C(C)C(C)SC","34681-10-2","CNC(=O)ON=C(C)C(C)SC","CNC(=O)ON=C(C)C(C)SC",{"$nulls":4},190.077598688,"?"]
[4595,"CNC(=O)ON=C(C)C(C)[S](C)(=O)=O","34681-23-7","CNC(=O)ON=C(C)C(C)S(C)(=O)=O","CNC(=O)ON=C(C)C(C)S(C)(=O)=O",{"$nulls":4},222.067427928,"?"]
[4596,"CO[P](=O)(OC)OC1=C(Cl)C2C=CCC12","34783-40-9","COP(=O)(OC)OC1=C(Cl)C2C=CCC12","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2",{"$nulls":4},250.01617317400002,"?"]
[4597,"CCC(CCCC(CC)C(O)=O)C(O)=O","34833-00-6","CCC(CCCC(CC)C(=O)O)C(=O)O","CCC(CCCC(CC)C(=O)O)C(=O)O",{"$nulls":4},216.13615912,"?"]
[4598,"CC(C)C(C(C)C(O)=O)C(O)=O","34861-84-2","CC(C)C(C(=O)O)C(C)C(=O)O","CC(C)C(C(=O)O)C(C)C(=O)O",{"$nulls":4},174.089208928,"?"]
[4599,"CCC(O)(CC)C(O)CC(C)C","34866-32-5","CCC(O)(CC)C(O)CC(C)C","CCC(O)(CC)C(O)CC(C)C",{"$nulls":4},174.161979944,"?"]
[4600,"Clc1ccc(Cl)c(c1)c2ccccc2","34883-39-1","Clc1ccc(Cl)c(-c2ccccc2)c1","Clc1cc(c(cc1)Cl)-c2ccccc2",{"$nulls":4},222.000305616,"?"]
[4601,"Clc1ccc(cc1)c2ccccc2Cl","34883-43-7","Clc1ccc(-c2ccccc2Cl)cc1","Clc1ccc(cc1)-c2c(cccc2)Cl",{"$nulls":4},222.000305616,"?"]
[4602,null,"34900-10-2",{"$nulls":7},""]
[4603,null,"34914-39-1",{"$nulls":7},""]
[4604,"Clc1cc(Cl)c(cc1Cl)c2cc(Cl)c(Cl)cc2Cl","35065-27-1","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4605,"Clc1ccc(c(Cl)c1Cl)c2cc(Cl)c(Cl)cc2Cl","35065-28-2","Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4606,"Clc1cc(Cl)c(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl","35065-29-3","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4607,"Clc1ccc(c(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl","35065-30-6","Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4608,"CC(Nc1ccccc1Cl)C(O)=O","35224-54-5","CC(Nc1ccccc1Cl)C(=O)O","CC(Nc1c(cccc1)Cl)C(=O)O",{"$nulls":4},199.04000624,"?"]
[4609,"CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C","35256-85-0","CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C","CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C",{"$nulls":4},233.177964356,"?"]
[4610,"OC(=O)CCCNC(=O)c1ccccc1","35340-63-7","O=C(O)CCCNC(=O)c1ccccc1","O=C(O)CCCNC(=O)c1ccccc1",{"$nulls":4},207.089543276,"?"]
[4611,"Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2","35367-38-5","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)cc1","O=C(NC(=O)c1c(cccc1F)F)Nc2ccc(cc2)Cl",{"$nulls":4},310.03206164800025,"?"]
[4612,"CC[CH]([CH](CC)C(O)=O)C(O)=O","35392-80-4","CCC(C(=O)O)C(CC)C(=O)O","CCC(C(=O)O)C(CC)C(=O)O",{"$nulls":4},174.089208928,"?"]
[4613,"CCCS[P](=S)(OCC)Oc1ccc(SC)cc1","35400-43-2","CCCSP(=S)(OCC)Oc1ccc(SC)cc1","CCCSP(=S)(OCC)Oc1ccc(cc1)SC",{"$nulls":4},322.0284794780006,"?"]
[4614,"Cc1cc(O)c(cc1Cl)C(O)=O","35458-35-6","Cc1cc(O)c(C(=O)O)cc1Cl","Cc1c(cc(c(c1)O)C(=O)O)Cl",{"$nulls":4},186.008371764,"?"]
[4615,null,"35554-44-0",{"$nulls":7},""]
[4616,"C[CH](NC(=O)[CH](C)NC(=O)[CH](N)CC[P](C)(O)=O)C(O)=O","35597-43-4","CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O","CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O",{"$nulls":4},323.12462205400055,"?"]
[4617,"Clc1cc(Cl)c(c(Cl)c1)c2ccccc2","35693-92-6","Clc1cc(Cl)c(-c2ccccc2)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2ccccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4618,"Clc1ccc(Cl)c(c1)c2cc(Cl)ccc2Cl","35693-99-3","Clc1ccc(Cl)c(-c2cc(Cl)ccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(ccc(c2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4619,null,"35694-06-5",{"$nulls":7},""]
[4620,"Clc1cc(c(Cl)c(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl","35694-08-7","Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4621,"CC(C)C(O)C(C)(C)C(O)=O","35763-45-2","CC(C)C(O)C(C)(C)C(=O)O","CC(C)C(O)C(C)(C)C(=O)O",{"$nulls":4},160.109944372,"?"]
[4622,null,"35781-54-5",{"$nulls":7},""]
[4623,"Clc1cc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2c(Cl)c1Cl","35822-46-9","Clc1cc2c(c(Cl)c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(c(c2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",{"$nulls":4},421.77962303199996,"?"]
[4624,null,"36088-22-9",{"$nulls":7},""]
[4625,"CN1C(=C(O)Nc2ccccn2)C(=O)c3ccccc3[S]1(=O)=O","36322-90-4","CN1C(=C(O)Nc2ccccn2)C(=O)c2ccccc2S1(=O)=O","CN1S(c2c(C(C1=C(O)Nc3ncccc3)=O)cccc2)(=O)=O",{"$nulls":4},331.0626768960003,"?"]
[4626,"OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2","36330-85-5","O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1","O=C(O)CCC(=O)c1ccc(cc1)-c2ccccc2",{"$nulls":4},254.094294308,"?"]
[4627,"CCO[P](=S)(NC(C)CC)Oc1cc(C)ccc1[N+]([O-])=O","36335-67-8","CCOP(=S)(NC(C)CC)Oc1cc(C)ccc1[N+](=O)[O-]","CCOP(=S)(NC(C)CC)Oc1c(ccc(c1)C)[N+](=O)[O-]",{"$nulls":4},332.0959647820005,"?"]
[4628,"Brc1ccccc1c2c(Br)c(Br)c(Br)c(Br)c2Br","36355-01-8","Brc1ccccc1-c1c(Br)c(Br)c(Br)c(Br)c1Br","Brc1c(cccc1)-c2c(c(c(c(c2Br)Br)Br)Br)Br",{"$nulls":4},621.5413227280002,"?"]
[4629,"Brc1cc(Br)c(Oc2cc(Br)cc(Br)c2Br)c(Br)c1","36483-60-0","Brc1cc(Br)c(Oc2cc(Br)cc(Br)c2Br)c(Br)c1","Brc1cc(c(c(c1)Br)Oc2c(c(cc(c2)Br)Br)Br)Br",{"$nulls":4},637.5362373480002,"?"]
[4630,"CCO[P](=O)(Oc1ccc(Cl)cc1Cl)Oc2ccc(Cl)cc2Cl","36519-00-3","CCOP(=O)(Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl","CCOP(=O)(Oc1c(cc(cc1)Cl)Cl)Oc2c(cc(cc2)Cl)Cl",{"$nulls":4},413.91490618200027,"?"]
[4631,"Clc1ccc(c(Cl)c1)c2cccc(Cl)c2Cl","36559-22-5","Clc1ccc(-c2cccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(ccc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4632,"CCC#CC(C)C","36566-80-0","CCC#CC(C)C","CCC#CC(C)C",{"$nulls":4},96.093900384,"?"]
[4633,"CO[P](=S)(OC)SCCSC(C)C","36614-38-7","COP(=S)(OC)SCCSC(C)C","COP(=S)(OC)SCCSC(C)C",{"$nulls":4},260.0128294140001,"?"]
[4634,"CCCCCCC(CC=CCCCCCCCC(O)=O)O[S](O)(=O)=O","36634-48-7","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O",{"$nulls":4},378.2076098080009,"?"]
[4635,"CCCCCCCCCCCCCCCCO","36653-82-4","CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCO",{"$nulls":4},242.260965708,"?"]
[4636,null,"36734-19-7",{"$nulls":7},""]
[4637,"CCC(C)N(C(C)CC)C(=O)SCc1ccccc1","36756-79-3","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC",{"$nulls":4},279.1656854200006,"?"]
[4638,"NC(=O)c1cc(Cl)cc(Cl)c1N","36765-01-2","NC(=O)c1cc(Cl)cc(Cl)c1N","NC(=O)c1c(c(cc(c1)Cl)Cl)N",{"$nulls":4},203.985718172,"?"]
[4639,"NC(=O)c1ncn(n1)[CH]2O[CH](CO)[CH](O)[CH]2O","36791-04-5","NC(=O)c1ncn(C2OC(CO)C(O)C2O)n1","NC(=O)c1nn(cn1)C2C(C(C(O2)CO)O)O",{"$nulls":4},244.080769484,"?"]
[4640,"CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(N)=O","36894-69-6","CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1","CC(CCc1ccccc1)NCC(O)c2cc(c(cc2)O)C(N)=O",{"$nulls":4},328.1786926280007,"?"]
[4641,"CCCCCCCCCOC(=O)c1ccc(N)cc1","37139-21-2","CCCCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCCCOC(=O)c1ccc(cc1)N",{"$nulls":4},263.1885290400002,"?"]
[4642,"OC[CH]1C[CH](N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O","37248-47-8","OCC1=CC(NC2CC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O","OCC=1C(C(C(C(C1)NC2C(C(C(C(C2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O",{"$nulls":4},497.21084018000084,"?"]
[4643,"COCCc1ccc(OCC(O)CNC(C)C)cc1","37350-58-6","COCCc1ccc(OCC(O)CNC(C)C)cc1","COCCc1ccc(cc1)OCC(O)CNC(C)C",{"$nulls":4},267.1834436600003,"?"]
[4644,"ON(c1ccccc1)C(=O)c2ccccc2I","37433-80-0","O=C(c1ccccc1I)N(O)c1ccccc1","O=C(c1c(cccc1)I)N(O)c2ccccc2",{"$nulls":4},338.97562656000025,"?"]
[4645,"NCC[CH](O)C(=O)N[CH]1C[CH](N)[CH](O[CH]2O[CH](CN)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](N)[CH]3O","37517-28-5","NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O","NCCC(O)C(=O)NC1C(C(C(C(C1)N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O",{"$nulls":4},585.285736436001,"?"]
[4646,"NC(=O)NC(Cc1ccccc1)C(O)=O","37534-65-9","NC(=O)NC(Cc1ccccc1)C(=O)O","NC(=O)NC(Cc1ccccc1)C(=O)O",{"$nulls":4},208.084792244,"?"]
[4647,"O=C1N=CNc2cccnc12","37538-67-3","O=c1nc[nH]c2cccnc12","O=c1c2c([nH]cn1)cccn2",{"$nulls":4},147.04326178,"?"]
[4648,"Clc1ccc(Cl)c(c1)c2ccccc2Cl","37680-65-2","Clc1ccc(Cl)c(-c2ccccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4649,"Clc1ccc(c(Cl)c1)c2ccccc2Cl","37680-66-3","Clc1ccc(-c2ccccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4650,"Clc1cc(Cl)cc(c1)c2ccccc2Cl","37680-68-5","Clc1cc(Cl)cc(-c2ccccc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4651,"Clc1ccc(Cl)c(c1)c2cc(Cl)c(Cl)cc2Cl","37680-73-2","Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4652,"ClC(Cl)C(=O)N(CC=C)CC=C","37764-25-3","C=CCN(CC=C)C(=O)C(Cl)Cl","C=CCN(CC=C)C(=O)C(Cl)Cl",{"$nulls":4},207.021769332,"?"]
[4653,"CC(CCl)[N+]([O-])=O","37809-02-2","CC(CCl)[N+](=O)[O-]","CC(CCl)[N+](=O)[O-]",{"$nulls":4},123.008706112,"?"]
[4654,"Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1","37853-59-1","Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1","Brc1cc(c(c(c1)Br)OCCOc2c(cc(cc2Br)Br)Br)Br",{"$nulls":4},681.5624520960004,"?"]
[4655,"Clc1cc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2c(Cl)c1Cl","37871-00-4","Clc1cc2c(c(Cl)c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(c(c2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",{"$nulls":4},421.77962303199996,"?"]
[4656,"COCCO[Si](CCCl)(OCCOC)OCCOC","37894-46-5","COCCO[Si](CCCl)(OCCOC)OCCOC","COCCO[Si](CCCl)(OCCOC)OCCOC",{"$nulls":4},316.11089273000067,"?"]
[4657,"Cc1cc(ccc1N[S](=O)(=O)C(F)(F)F)[S](=O)(=O)c2ccccc2","37924-13-3","Cc1cc(S(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)C(F)(F)F","Cc1c(ccc(c1)S(=O)(=O)c2ccccc2)NS(=O)(=O)C(F)(F)F",{"$nulls":4},379.01598452400026,"?"]
[4658,null,"37962-15-5",{"$nulls":7},""]
[4659,null,"38026-46-9",{"$nulls":7},""]
[4660,null,"38062-65-6",{"$nulls":7},""]
[4661,"CC(C)C[CH](N)C(=O)N[CH](CCC(N)=O)C(O)=O","38062-69-0","CC(C)CC(N)C(=O)NC(CCC(N)=O)C(=O)O","CC(C)CC(N)C(=O)NC(CCC(N)=O)C(=O)O",{"$nulls":4},259.1532061520001,"?"]
[4662,null,"38129-37-2",{"$nulls":7},""]
[4663,"Cc1cc(C)c(OCC(O)=O)c(Br)c1","38206-98-3","Cc1cc(C)c(OCC(=O)O)c(Br)c1","Cc1cc(c(c(c1)C)OCC(=O)O)Br",{"$nulls":4},257.98915631200003,"?"]
[4664,"CCOc1cc(O[P](=S)(OC)OC)nc(CC)n1","38260-54-7","CCOc1cc(OP(=S)(OC)OC)nc(CC)n1","CCOc1nc(nc(c1)OP(=S)(OC)OC)CC",{"$nulls":4},292.0646646540005,"?"]
[4665,"NC1=CC(=NC(=N)N1O)N2CCCCC2","38304-91-5","N=c1nc(N2CCCCC2)cc(N)n1O","N=c1n(c(cc(n1)N2CCCCC2)N)O",{"$nulls":4},209.12766009999999,"?"]
[4666,"CC(C)(C)NC[CH](O)COc1ccccc1C2CCCC2","38363-40-5","CC(C)(C)NCC(O)COc1ccccc1C1CCCC1","CC(C)(C)NCC(O)COc1c(cccc1)C2CCCC2",{"$nulls":4},291.21982916800084,"?"]
[4667,"Clc1ccc(Cl)c(c1)c2c(Cl)ccc(Cl)c2Cl","38379-99-6","Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4668,"Clc1ccc(c(Cl)c1)c2cc(Cl)c(Cl)cc2Cl","38380-01-7","Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4669,"Clc1ccc(Cl)c(c1)c2ccc(Cl)c(Cl)c2Cl","38380-02-8","Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4670,"Clc1ccc(cc1Cl)c2c(Cl)ccc(Cl)c2Cl","38380-03-9","Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4671,null,"38380-04-0",{"$nulls":7},""]
[4672,"Clc1ccc(c(Cl)c1Cl)c2c(Cl)ccc(Cl)c2Cl","38380-05-1","Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4673,"Clc1ccc(c(Cl)c1Cl)c2ccc(Cl)c(Cl)c2Cl","38380-07-3","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4674,"Clc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl","38380-08-4","Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4675,"Clc1ccc(Cl)c(c1Cl)c2c(Cl)ccc(Cl)c2Cl","38411-22-2","Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4676,"Clc1ccc(Cl)c(c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl","38411-25-5","Clc1cc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4677,"Clc1ccccc1c2c(Cl)cccc2Cl","38444-73-4","Clc1ccccc1-c1c(Cl)cccc1Cl","Clc1c(cccc1)-c2c(cccc2Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4678,"Clc1cccc(c1)c2c(Cl)cccc2Cl","38444-76-7","Clc1cccc(-c2c(Cl)cccc2Cl)c1","Clc1cc(ccc1)-c2c(cccc2Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4679,"Clc1ccc(cc1)c2c(Cl)cccc2Cl","38444-77-8","Clc1ccc(-c2c(Cl)cccc2Cl)cc1","Clc1ccc(cc1)-c2c(cccc2Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4680,"Clc1cccc(c1Cl)c2ccccc2Cl","38444-78-9","Clc1ccccc1-c1cccc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(ccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4681,"Clc1cccc(c1)c2cc(Cl)ccc2Cl","38444-81-4","Clc1cccc(-c2cc(Cl)ccc2Cl)c1","Clc1cc(ccc1)-c2c(ccc(c2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4682,"Clc1ccc(cc1)c2cccc(Cl)c2Cl","38444-85-8","Clc1ccc(-c2cccc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(ccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4683,"Clc1ccc(cc1Cl)c2ccccc2Cl","38444-86-9","Clc1ccc(-c2ccccc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4684,"Clc1ccc(cc1)c2ccc(Cl)c(Cl)c2","38444-90-5","Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1","Clc1ccc(cc1)-c2cc(c(cc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4685,"Clc1cccc(c1Cl)c2cccc(Cl)c2Cl","38444-93-8","Clc1cccc(-c2cccc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(ccc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4686,"Cc1ccc2c(ccc(O)c2n1)[N+]([O-])=O","38543-66-7","Cc1ccc2c([N+](=O)[O-])ccc(O)c2n1","Cc1nc2c(cc1)c([N+](=O)[O-])ccc2O",{"$nulls":4},204.053492116,"?"]
[4687,"CC([S](C)(=O)=O)[S](C)(=O)=O","38564-69-1","CC(S(C)(=O)=O)S(C)(=O)=O","CC(S(C)(=O)=O)S(C)(=O)=O",{"$nulls":4},186.0020508,"?"]
[4688,null,"38580-22-2",{"$nulls":7},""]
[4689,"CC(C)(NC(N)=O)C(O)=O","38605-63-9","CC(C)(NC(N)=O)C(=O)O","CC(C)(NC(N)=O)C(=O)O",{"$nulls":4},146.06914218,"?"]
[4690,"CCOc1ccccc1C=CC(O)=O","38624-46-3","CCOc1ccccc1C=CC(=O)O","CCOc1c(cccc1)C=CC(=O)O",{"$nulls":4},192.078644244,"?"]
[4691,"CC(C)c1ccc2ccccc2c1C(C)C","38640-62-9","CC(C)c1ccc2ccccc2c1C(C)C","CC(C)c1c(c2c(cc1)cccc2)C(C)C",{"$nulls":4},212.15650064,"?"]
[4692,"CC(C)N.OC(=O)CNC[P](O)(O)=O","38641-94-0","O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O","CC(C)N",{"$nulls":3},228.087508274,"?"]
[4693,"CCOC(=O)CN(C(=O)CCl)c1c(CC)cccc1CC","38727-55-8","CCOC(=O)CN(C(=O)CCl)c1c(CC)cccc1CC","CCOC(=O)CN(C(=O)CCl)c1c(cccc1CC)CC",{"$nulls":4},311.1288212440006,"?"]
[4694,"CC(C)S[S](=O)C(C)C","38739-06-9","CC(C)SS(=O)C(C)C","CC(C)SS(=O)C(C)C",{"$nulls":4},166.048607068,"?"]
[4695,null,"38753-34-3",{"$nulls":7},""]
[4696,"OC(=O)C1CCCC=C1C(O)=O","38765-78-5","O=C(O)C1=CCCCC1C(=O)O","O=C(O)C=1C(CCCC1)C(=O)O",{"$nulls":4},170.0579088,"?"]
[4697,null,"38771-96-9",{"$nulls":7},""]
[4698,"CC1=C(N2[CH](SC1)[CH](NC(=O)[CH](N)C3=CCC=CC3)C2=O)C(O)=O","38821-53-3","CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)C3=CCC=CC3)C2SC1","CC=1CSC2N(C1C(=O)O)C(=O)C2NC(=O)C(N)C=3CC=CCC3",{"$nulls":4},349.1096270880004,"?"]
[4699,"CC(C)(O)CC(C)(O)c1cccc2ccccc12","38836-20-3","CC(C)(O)CC(C)(O)c1cccc2ccccc12","CC(C)(O)CC(C)(O)c1c2c(ccc1)cccc2",{"$nulls":4},244.14632988,"?"]
[4700,"Clc1ccc2Oc3ccc(Cl)cc3Oc2c1","38964-22-6","Clc1ccc2c(c1)Oc1cc(Cl)ccc1O2","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)cc3",{"$nulls":4},251.974484792,"?"]
[4701,null,"38996-13-3",{"$nulls":7},""]
[4702,"Clc1c(Cl)c(Cl)c2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c23)c1Cl","39001-02-0","Clc1c(Cl)c(Cl)c2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c32)c1Cl","Clc1c(c2c(c(c1Cl)Cl)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",{"$nulls":4},439.74573605999996,"?"]
[4703,"OC(=O)C(I)=CBr","39121-35-2","O=C(O)C(I)=CBr","O=C(O)C(I)=CBr",{"$nulls":4},275.8282894040001,"?"]
[4704,"[Al+3].CCO[P](=O)=O.CCO[P](=O)=O.CCO[P](=O)=O","39148-24-8","CCOP(=O)=O","CCOP(=O)=O","CCOP(=O)=O","CCOP(=O)=O","[Al+3]",null,350.97443058000005,"?"]
[4705,"CNC(=O)ON=C(CSC)C(C)(C)C","39196-18-4","CNC(=O)ON=C(CSC)C(C)(C)C","CNC(=O)ON=C(CSC)C(C)(C)C",{"$nulls":4},218.108898816,"?"]
[4706,"Clc1cc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2cc1Cl","39227-28-6","Clc1cc2c(cc1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",{"$nulls":4},387.818595384,"?"]
[4707,"Clc1cccc2Oc3ccccc3Oc12","39227-53-7","Clc1cccc2c1Oc1ccccc1O2","Clc1c2c(ccc1)Oc3c(O2)cccc3",{"$nulls":4},218.013457144,"?"]
[4708,"Clc1ccc2Oc3ccccc3Oc2c1","39227-54-8","Clc1ccc2c(c1)Oc1ccccc1O2","Clc1cc2c(cc1)Oc3c(O2)cccc3",{"$nulls":4},218.013457144,"?"]
[4709,"Clc1cc(Cl)c2Oc3ccccc3Oc2c1Cl","39227-58-2","Clc1cc(Cl)c2c(c1Cl)Oc1ccccc1O2","Clc1c(c2c(c(c1)Cl)Oc3c(O2)cccc3)Cl",{"$nulls":4},285.93551244000014,"?"]
[4710,"Clc1ccc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2c1","39227-61-7","Clc1ccc2c(c1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1cc2c(cc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl",{"$nulls":4},353.8575677360001,"?"]
[4711,"CC=CC(=O)Oc1c(cc(cc1C(C)(C)CC(C)(C)C)[N+]([O-])=O)[N+]([O-])=O","39300-45-3","CC=CC(=O)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)CC(C)(C)C","CC=CC(=O)Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(C)(C)CC(C)(C)C",{"$nulls":4},364.1634364880006,"?"]
[4712,"Clc1ccc(c(Cl)c1)c2c(Cl)cc(Cl)cc2Cl","39485-83-1","Clc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4713,"CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","39515-40-7","CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C",{"$nulls":4},375.1834436600007,"?"]
[4714,"CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","39515-41-8","CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C",{"$nulls":4},349.16779359600065,"?"]
[4715,"CCC(CCC(O)=O)C(C)=O","39517-97-0","CCC(CCC(=O)O)C(C)=O","CCC(CCC(=O)O)C(C)=O",{"$nulls":4},158.094294308,"?"]
[4716,null,"39529-95-8",{"$nulls":7},""]
[4717,"COC(=O)C1C2CC(C=C2)C1C(=O)OC","39589-98-5","COC(=O)C1C2C=CC(C2)C1C(=O)OC","COC(=O)C1C(C2C=CC1C2)C(=O)OC",{"$nulls":4},210.089208928,"?"]
[4718,null,"39615-79-7",{"$nulls":7},""]
[4719,"Clc1cc(cc(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl","39635-31-9","Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4720,"CC(=O)NCC(=O)Nc1ccccc1","39764-27-7","CC(=O)NCC(=O)Nc1ccccc1","CC(=O)NCC(=O)Nc1ccccc1",{"$nulls":4},192.089877624,"?"]
[4721,"CC(C)(C)C1=NN(C(=O)O1)c2cc(OCC#C)c(Cl)cc2Cl","39807-15-3","C#CCOc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl","C#CCOc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl",{"$nulls":4},340.03814766800036,"?"]
[4722,null,"39832-36-5",{"$nulls":7},""]
[4723,null,"39923-25-6",{"$nulls":7},""]
[4724,"CCOC(=O)C(C)NC(=O)c1occc1","39978-21-7","CCOC(=O)C(C)NC(=O)c1ccco1","CCOC(=O)C(C)NC(=O)c1occc1",{"$nulls":4},211.084457896,"?"]
[4725,"CCOC(=O)C(NC=O)=CC=Cc1ccccc1","40078-42-0","CCOC(=O)C(=CC=Cc1ccccc1)NC=O","CCOC(=O)C(=CC=Cc1ccccc1)NC=O",{"$nulls":4},245.10519334,"?"]
[4726,"ClCCC(Cl)O[P](=O)(OC(Cl)CCCl)OC(Cl)CCCl","40120-74-9","O=P(OC(Cl)CCCl)(OC(Cl)CCCl)OC(Cl)CCCl","O=P(OC(Cl)CCCl)(OC(Cl)CCCl)OC(Cl)CCCl",{"$nulls":4},427.8839116700004,"?"]
[4727,"Clc1cc(Cl)c(Cl)c(c1)c2c(Cl)cc(Cl)c(Cl)c2Cl","40186-70-7","Clc1cc(Cl)c(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4728,"Clc1cc(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl","40186-71-8","Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4729,"Clc1cc(c(Cl)c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","40186-72-9","Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},459.727499152,"?"]
[4730,null,"40437-08-9",{"$nulls":7},""]
[4731,null,"40465-66-5",{"$nulls":7},""]
[4732,"CCC(CC)Nc1c(cc(C)c(C)c1[N+]([O-])=O)[N+]([O-])=O","40487-42-1","CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-]","CCC(CC)Nc1c(c(c(cc1[N+](=O)[O-])C)C)[N+](=O)[O-]",{"$nulls":4},281.1375560880005,"?"]
[4733,"COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C","40596-69-8","COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C","COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C",{"$nulls":4},310.25079494800093,"?"]
[4734,null,"40617-52-5",{"$nulls":7},""]
[4735,"CN(C)c1ncc2nccnc2n1","41047-52-3","CN(C)c1ncc2nccnc2n1","CN(C)c1nc2c(cn1)nccn2",{"$nulls":4},175.08579528799999,"?"]
[4736,"C1CCC(CC1)[Sn](|n2cncn2)(C3CCCCC3)C4CCCCC4","41083-11-8",{"$nulls":7},""]
[4737,"CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","41096-46-2","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",{"$nulls":4},266.2245802000003,"?"]
[4738,"CCCS[P](=O)(OCC)Oc1ccc(Br)cc1Cl","41198-08-7","CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl","CCCSP(=O)(OCC)Oc1c(cc(cc1)Br)Cl",{"$nulls":4},371.9351417500004,"?"]
[4739,"CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","41205-09-8","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",{"$nulls":4},266.2245802000003,"?"]
[4740,null,"41205-21-4",{"$nulls":7},""]
[4741,"COc1ccc(cc1C)C(=O)c2cccc(C)c2","41295-28-7","COc1ccc(C(=O)c2cccc(C)c2)cc1C","COc1c(cc(cc1)C(=O)c2cc(ccc2)C)C",{"$nulls":4},240.115029752,"?"]
[4742,"NC(=O)NN=C[CH](O)[CH](O)[CH](O)[CH](O)CO","41356-13-2","NC(=O)NN=CC(O)C(O)C(O)C(O)CO","NC(=O)NN=CC(O)C(O)C(O)C(O)CO",{"$nulls":4},237.0960852,"?"]
[4743,"CC1=NN=C(c2ccccc2)C(=O)N1N","41394-05-2","Cc1nnc(-c2ccccc2)c(=O)n1N","Cc1n(c(c(nn1)-c2ccccc2)=O)N",{"$nulls":4},202.08546094,"?"]
[4744,"Clc1ccc(Cl)c(c1)c2cccc(Cl)c2Cl","41464-39-5","Clc1ccc(Cl)c(-c2cccc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(ccc2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4745,"Clc1ccc(c(Cl)c1)c2cc(Cl)ccc2Cl","41464-40-8","Clc1ccc(-c2cc(Cl)ccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(ccc(c2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4746,"Clc1ccc(Cl)c(c1)c2c(Cl)cccc2Cl","41464-41-9","Clc1ccc(Cl)c(-c2c(Cl)cccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cccc2Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4747,"Clc1ccc(cc1Cl)c2c(Cl)cccc2Cl","41464-46-4","Clc1ccc(-c2c(Cl)cccc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cccc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4748,"Clc1cccc(c1Cl)c2c(Cl)cccc2Cl","41464-47-5","Clc1cccc(-c2c(Cl)cccc2Cl)c1Cl","Clc1c(c(ccc1)-c2c(cccc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4749,"Clc1cccc(c1Cl)c2cc(Cl)c(Cl)cc2Cl","41464-51-1","Clc1cc(Cl)c(-c2cccc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4750,null,"41476-09-9",{"$nulls":7},""]
[4751,"CCCCc1c(C)nc(NCC)nc1O[S](=O)(=O)N(C)C","41483-43-6","CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C","CCCCc1c(nc(nc1C)NCC)OS(=O)(=O)N(C)C",{"$nulls":4},316.15691162800067,"?"]
[4752,"OC(=O)[CH]1CCC(=O)N1CCC#N","41563-94-4","N#CCCN1C(=O)CCC1C(=O)O","N#CCCN1C(CCC1=O)C(=O)O",{"$nulls":4},182.06914218,"?"]
[4753,"CCOc1ccc(NC(C)=O)c(C)c1","41570-59-6","CCOc1ccc(NC(C)=O)c(C)c1","CCOc1cc(c(cc1)NC(C)=O)C",{"$nulls":4},193.11027872,"?"]
[4754,"Cc1cccc2sc3nncn3c12","41814-78-2","Cc1cccc2sc3nncn3c12","Cc1c2c(ccc1)sc3n2cnn3",{"$nulls":4},189.036068224,"?"]
[4755,null,"41903-57-5",{"$nulls":7},""]
[4756,"COc1cc(C=O)c(C)cc1O","42044-81-5","COc1cc(C=O)c(C)cc1O","COc1c(cc(c(c1)C=O)C)O",{"$nulls":4},166.06299418,"?"]
[4757,"CC(C)(C)NCC(O)COc1cccc2C[CH](O)[CH](O)Cc12","42200-33-9","CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2","CC(C)(C)NCC(O)COc1c2c(ccc1)CC(C(C2)O)O",{"$nulls":4},309.19400834400074,"?"]
[4758,"CN1CC(CC1=O)C(O)=O","42346-68-9","CN1CC(C(=O)O)CC1=O","CN1C(CC(C1)C(=O)O)=O",{"$nulls":4},143.058243148,"?"]
[4759,"COc1ccc(cc1)[CH]2Sc3ccccc3N(CCN(C)C)C(=O)[CH]2OC(C)=O","42399-41-7","COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1","COc1ccc(cc1)C2C(C(N(c3c(S2)cccc3)CCN(C)C)=O)OC(C)=O",{"$nulls":4},414.16132831200065,"?"]
[4760,"CCO[P](=S)(OCC)Oc1nn(C(C)C)c(Cl)n1","42509-80-8","CCOP(=S)(OCC)Oc1nc(Cl)n(C(C)C)n1","CCOP(=S)(OCC)Oc1nn(c(n1)Cl)C(C)C",{"$nulls":4},313.0416767140005,"?"]
[4761,"COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O","42576-02-3","COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]","COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]",{"$nulls":4},340.9857777480002,"?"]
[4762,"CC(C)CCCC(C)CC=CC(C)=CC(=O)OCC#C","42588-37-4","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",{"$nulls":4},276.20893013600056,"?"]
[4763,"Cc1ccc(NC(=O)NC(C)(C)c2ccccc2)cc1","42609-52-9","Cc1ccc(NC(=O)NC(C)(C)c2ccccc2)cc1","Cc1ccc(cc1)NC(=O)NC(C)(C)c2ccccc2",{"$nulls":4},268.15756326000036,"?"]
[4764,"CN(C(=O)NC(C)(C)c1ccccc1)c2ccc(C)cc2","42609-73-4","Cc1ccc(N(C)C(=O)NC(C)(C)c2ccccc2)cc1","Cc1ccc(cc1)N(C)C(=O)NC(C)(C)c2ccccc2",{"$nulls":4},282.1732133240006,"?"]
[4765,"Clc1cc(Cl)c(c(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl","42740-50-1","Clc1cc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4766,null,"42793-96-4",{"$nulls":7},""]
[4767,"CC(=O)c1cccc(NC(N)=O)c1","42865-71-4","CC(=O)c1cccc(NC(N)=O)c1","CC(=O)c1cc(ccc1)NC(N)=O",{"$nulls":4},178.07422756,"?"]
[4768,"CCOc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O","42874-03-3","CCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOc1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",{"$nulls":4},361.0328701720003,"?"]
[4769,"CCCOCC(O)COCCC","43015-17-4","CCCOCC(O)COCCC","CCCOCC(O)COCCC",{"$nulls":4},176.1412445,"?"]
[4770,"CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2","43121-43-3","CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(=O)C(Oc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},293.0931044320005,"?"]
[4771,"CC(=O)C(=O)Nc1ccccc1","46114-86-7","CC(=O)C(=O)Nc1ccccc1","CC(=O)C(=O)Nc1ccccc1",{"$nulls":4},163.063328528,"?"]
[4772,"CN(CCCCC(O)=O)[S](=O)(=O)c1ccccc1","46855-40-7","CN(CCCCC(=O)O)S(=O)(=O)c1ccccc1","CN(CCCCC(=O)O)S(=O)(=O)c1ccccc1",{"$nulls":4},271.0878290240004,"?"]
[4773,"OC(=O)C1C(C1C(O)=O)C(O)=O","48126-70-1","O=C(O)C1C(C(=O)O)C1C(=O)O","O=C(O)C1C(C1C(=O)O)C(=O)O",{"$nulls":4},174.01643791200001,"?"]
[4774,"CCCCCOC(=O)c1cccnc1","49558-04-5","CCCCCOC(=O)c1cccnc1","CCCCCOC(=O)c1cnccc1",{"$nulls":4},193.11027872,"?"]
[4775,"NCCc1ccc(O)c(c1)[N+]([O-])=O","49607-15-0","NCCc1ccc(O)c([N+](=O)[O-])c1","NCCc1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},182.06914218,"?"]
[4776,null,"49629-98-3",{"$nulls":7},""]
[4777,null,"49754-15-6",{"$nulls":7},""]
[4778,null,"49861-19-0",{"$nulls":7},""]
[4779,"CN1C(=O)NC(=O)c2nc(C)c(C)nc12","50256-21-8","Cc1nc2c(=O)[nH]c(=O)n(C)c2nc1C","Cc1c(nc2c(n1)c(=O)[nH]c(=O)n2C)C",{"$nulls":4},206.08037556,"?"]
[4780,null,"50397-65-4",{"$nulls":7},""]
[4781,"Cc1snnc1","50406-54-7","Cc1cnns1","Cc1snnc1",{"$nulls":4},100.009519128,"?"]
[4782,null,"50453-17-3",{"$nulls":7},""]
[4783,"CC1(OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2)C=C","50471-44-8","C=CC1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","C=CC1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",{"$nulls":4},284.99594850800025,"?"]
[4784,null,"50512-35-1",{"$nulls":7},""]
[4785,"COCCN(C(=O)CCl)c1c(C)cccc1C","50563-36-5","COCCN(C(=O)CCl)c1c(C)cccc1C","COCCN(C(=O)CCl)c1c(cccc1C)C",{"$nulls":4},255.102606496,"?"]
[4786,"OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O","50594-66-6","O=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","O=C(O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",{"$nulls":4},360.9964846640002,"?"]
[4787,"CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4","50679-08-8","CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1","CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4",{"$nulls":4},471.3137295520011,"?"]
[4788,"O=C1CCCCCCCCCCCCCCN1","50768-64-4","O=C1CCCCCCCCCCCCCCN1","O=C1NCCCCCCCCCCCCCC1",{"$nulls":4},239.224914548,"?"]
[4789,"CCO[P](C)(=O)SCCN(C(C)C)C(C)C","50782-69-9","CCOP(C)(=O)SCCN(C(C)C)C(C)C","CCOP(C)(=O)SCCN(C(C)C)C(C)C",{"$nulls":4},267.1421867020003,"?"]
[4790,null,"50785-22-3",{"$nulls":7},""]
[4791,null,"50785-24-5",{"$nulls":7},""]
[4792,"CCCCCC(=O)NCCNC(=O)CCCCC","50905-12-9","CCCCCC(=O)NCCNC(=O)CCCCC","CCCCCC(=O)NCCNC(=O)CCCCC",{"$nulls":4},256.215078136,"?"]
[4793,"Clc1ccccc1NC(=O)CC#N","50982-66-6","N#CCC(=O)Nc1ccccc1Cl","N#CCC(=O)Nc1c(cccc1)Cl",{"$nulls":4},194.024690524,"?"]
[4794,"CC(=O)O[CH](C(O)=O)c1ccccc1","51019-43-3","CC(=O)OC(C(=O)O)c1ccccc1","CC(=O)OC(C(=O)O)c1ccccc1",{"$nulls":4},194.0579088,"?"]
[4795,null,"51065-35-1",{"$nulls":7},""]
[4796,"Cn1c2ccccc2c(C(N)=O)c1C(N)=O","51072-90-3","Cn1c(C(N)=O)c(C(N)=O)c2ccccc21","Cn1c2c(c(c1C(N)=O)C(N)=O)cccc2",{"$nulls":4},217.085126592,"?"]
[4797,null,"51078-47-8",{"$nulls":7},""]
[4798,null,"51078-49-0",{"$nulls":7},""]
[4799,"OC(=O)c1ccc(c(c1)C(O)=O)[S](O)(=O)=O","51084-31-2","O=C(O)c1ccc(S(=O)(=O)O)c(C(=O)O)c1","O=C(O)c1cc(c(cc1)S(=O)(=O)O)C(=O)O",{"$nulls":4},245.98342353200002,"?"]
[4800,"OC(=S)c1cccnc1","51087-03-7","OC(=S)c1cccnc1","OC(=S)c1cnccc1",{"$nulls":4},139.00918478,"?"]
[4801,"Cc1nn(c2ccccc2)c(N)c1C","51143-42-1","Cc1nn(-c2ccccc2)c(N)c1C","Cc1c(c(n(n1)-c2ccccc2)N)C",{"$nulls":4},187.110947416,"?"]
[4802,null,"51203-19-1",{"$nulls":7},""]
[4803,"Clc1cc2oc3cc(Cl)c(Cl)cc3c2cc1Cl","51207-31-9","Clc1cc2oc3cc(Cl)c(Cl)cc3c2cc1Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3)Cl)Cl)Cl",{"$nulls":4},303.9016254680001,"?"]
[4804,"CCc1cccc(C)c1N(C(C)COC)C(=O)CCl","51218-45-2","CCc1cccc(C)c1N(C(=O)CCl)C(C)COC","CCc1c(c(ccc1)C)N(C(=O)CCl)C(C)COC",{"$nulls":4},283.1339066240006,"?"]
[4805,null,"51218-49-6",{"$nulls":7},""]
[4806,"CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C","51235-04-2","CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C","CN(C)c1n(c(n(c(n1)=O)C2CCCCC2)=O)C",{"$nulls":4},252.15862588,"?"]
[4807,"CCCCNC1(CCCCC1)[P](=O)(OCCCC)OCCCC","51249-05-9","CCCCNC1(P(=O)(OCCCC)OCCCC)CCCCC1","CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC",{"$nulls":4},347.258930706001,"?"]
[4808,null,"51294-23-6",{"$nulls":7},""]
[4809,"CCCCSC(SCc1ccc(cc1)C(C)(C)C)=Nc2cccnc2","51308-54-4","CCCCSC(=Nc1cccnc1)SCc1ccc(C(C)(C)C)cc1","CCCCSC(=Nc1cnccc1)SCc2ccc(cc2)C(C)(C)C",{"$nulls":4},372.16939089600083,"?"]
[4810,"COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1","51338-27-3","COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",{"$nulls":4},340.0269142880004,"?"]
[4811,"CCOC(=S)SC(C)C(O)=O","51440-83-6","CCOC(=S)SC(C)C(=O)O","CCOC(=S)SC(C)C(=O)O",{"$nulls":4},194.00713618,"?"]
[4812,"COC(CN(C)C(=O)Nc1sc(nn1)C(C)(C)C)OC","51461-71-3","COC(CN(C)C(=O)Nc1nnc(C(C)(C)C)s1)OC","COC(CN(C)C(=O)Nc1sc(nn1)C(C)(C)C)OC",{"$nulls":4},302.1412615640006,"?"]
[4813,"CN=C(NCCSCc1nc[nH]c1C)NC#N","51481-61-9","CN=C(NC#N)NCCSCc1nc[nH]c1C","CN=C(NC#N)NCCSCc1c([nH]cn1)C",{"$nulls":4},252.11571551199998,"?"]
[4814,"CNC(=O)Oc1ccccc1OC(CCl)OC","51487-69-5","CNC(=O)Oc1ccccc1OC(CCl)OC","CNC(=O)Oc1c(cccc1)OC(CCl)OC",{"$nulls":4},259.0611356080001,"?"]
[4815,"CN(c1ccccn1)[S](=O)(=O)c2ccc(N)cc2","51543-29-4","CN(c1ccccn1)S(=O)(=O)c1ccc(N)cc1","CN(c1ncccc1)S(=O)(=O)c2ccc(cc2)N",{"$nulls":4},263.0728476560002,"?"]
[4816,null,"51596-10-2",{"$nulls":7},""]
[4817,null,"51596-11-3",{"$nulls":7},""]
[4818,"CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3","51630-58-1","CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl",{"$nulls":4},419.1288212440006,"?"]
[4819,"O=C(Nc1snnc1)Nc2ccccc2","51707-55-2","O=C(Nc1ccccc1)Nc1cnns1","O=C(Nc1ccccc1)Nc2snnc2",{"$nulls":4},220.041881876,"?"]
[4820,null,"51773-76-3",{"$nulls":7},""]
[4821,null,"51892-26-3",{"$nulls":7},""]
[4822,"Clc1cc(Cl)c(Cl)c(c1)c2cc(Cl)c(Cl)cc2Cl","51908-16-8","Clc1cc(Cl)c(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4823,"CCN1C=C(C(O)=O)C(=O)c2cnc(nc12)N3CCNCC3","51940-44-4","CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21","CCn1c2c(c(c(c1)C(=O)O)=O)cnc(N3CCNCC3)n2",{"$nulls":4},303.1331394040005,"?"]
[4824,null,"51944-15-1",{"$nulls":7},""]
[4825,null,"51944-17-3",{"$nulls":7},""]
[4826,"O=C1NC=NC=C1","51953-17-4","O=c1ccnc[nH]1","O=c1[nH]cncc1",{"$nulls":4},96.032362748,"?"]
[4827,null,"51971-67-6",{"$nulls":7},""]
[4828,null,"52128-85-5",{"$nulls":7},""]
[4829,"C[CH](CCC[CH](C)C(O)=O)C(O)=O","52137-33-4","CC(CCCC(C)C(=O)O)C(=O)O","CC(CCCC(C)C(=O)O)C(=O)O",{"$nulls":4},188.104858992,"?"]
[4830,"CCc1ccc2cc3ccccc3cc2c1","52251-71-5","CCc1ccc2cc3ccccc3cc2c1","CCc1cc2c(cc1)cc3c(cccc3)c2",{"$nulls":4},206.109550448,"?"]
[4831,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2","52315-07-8","CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},415.07419882800053,"?"]
[4832,null,"52321-05-8",{"$nulls":7},""]
[4833,"OC(=O)CSC1CCCCC1","52363-15-2","O=C(O)CSC1CCCCC1","O=C(O)CSC1CCCCC1",{"$nulls":4},174.071450688,"?"]
[4834,"CCC1(C)OC(=O)NC1=O","52387-52-7","CCC1(C)OC(=O)NC1=O","CCC1(C(NC(O1)=O)=O)C",{"$nulls":4},143.058243148,"?"]
[4835,"CCNCNC(=O)c1ccccc1","52387-57-2","CCNCNC(=O)c1ccccc1","CCNCNC(=O)c1ccccc1",{"$nulls":4},178.110613068,"?"]
[4836,"CC(Oc1ccc2ccccc2c1)C(=O)Nc3ccccc3","52570-16-8","CC(Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1","CC(Oc1cc2c(cc1)cccc2)C(=O)Nc3ccccc3",{"$nulls":4},291.1259287840005,"?"]
[4837,"CC1(C)[CH](C=C(Cl)Cl)[CH]1C(=O)OCc2cccc(Oc3ccccc3)c2","52645-53-1","CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},390.07894986000053,"?"]
[4838,"Clc1ccc(c(Cl)c1Cl)c2ccccc2Cl","52663-59-9","Clc1ccccc1-c1ccc(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4839,"Clc1cccc(c1Cl)c2c(Cl)ccc(Cl)c2Cl","52663-60-2","Clc1cccc(-c2c(Cl)ccc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4840,"Clc1ccc(Cl)c(c1)c2cc(Cl)cc(Cl)c2Cl","52663-61-3","Clc1ccc(Cl)c(-c2cc(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4841,"Clc1ccccc1c2cc(Cl)c(Cl)c(Cl)c2Cl","52663-62-4","Clc1ccccc1-c1cc(Cl)c(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4842,"Clc1ccc(Cl)c(c1)c2c(Cl)c(Cl)cc(Cl)c2Cl","52663-63-5","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4843,"Clc1ccc(Cl)c(c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl","52663-64-6","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4844,"Clc1ccc(Cl)c(c1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl","52663-65-7","Clc1cc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4845,"Clc1cc(Cl)c(Cl)c(c1)c2c(Cl)c(Cl)cc(Cl)c2Cl","52663-67-9","Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4846,"Clc1cc(Cl)c(cc1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl","52663-68-0","Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4847,"Clc1cc(Cl)c(cc1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl","52663-69-1","Clc1cc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4848,"Clc1ccc(c(Cl)c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl","52663-70-4","Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4849,"Clc1ccc(c(Cl)c1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl","52663-71-5","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4850,"Clc1cc(Cl)c(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2","52663-72-6","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)cc1Cl","Clc1c(cc(c(c1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4851,"Clc1ccc(Cl)c(c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","52663-73-7","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4852,"Clc1cc(Cl)c(Cl)c(c1)c2cc(Cl)c(Cl)c(Cl)c2Cl","52663-74-8","Clc1cc(Cl)c(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4853,"Clc1cc(c(Cl)c(Cl)c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl","52663-75-9","Clc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4854,"Clc1cc(Cl)c(cc1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","52663-76-0","Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4855,null,"52663-77-1",{"$nulls":7},""]
[4856,"Clc1ccc(c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","52663-78-2","Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4857,"Clc1cc(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","52663-79-3","Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},459.727499152,"?"]
[4858,"Clc1cccc(c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl","52704-70-8","Clc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4859,"Clc1ccc(Cl)c(c1)c2cc(Cl)c(Cl)c(Cl)c2Cl","52712-04-6","Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4860,"Clc1ccc(Cl)c(c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","52712-05-7","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4861,"Clc1cc(Cl)c(Cl)c(c1)c2c(Cl)ccc(Cl)c2Cl","52744-13-5","Clc1cc(Cl)c(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(ccc2Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4862,"CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2","52756-22-6","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},363.10374936800054,"?"]
[4863,"COC(=O)C(C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2","52756-25-9","COC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},335.0724492400004,"?"]
[4864,"CCCN(CCC)C(=O)SCc1ccccc1","52888-80-9","CCCN(CCC)C(=O)SCc1ccccc1","CCCN(CCC)C(=O)SCc1ccccc1",{"$nulls":4},251.134385292,"?"]
[4865,"CC1(C)[CH](C=C(Br)Br)[CH]1C(=O)O[CH](C#N)c2cccc(Oc3ccccc3)c2","52918-63-5","CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Br)Br)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},502.9731676680005,"?"]
[4866,null,"52926-52-0",{"$nulls":7},""]
[4867,"[O-][N+](=O)N(c1cccc(c1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","53014-37-2","O=[N+]([O-])c1cccc(N([N+](=O)[O-])[N+](=O)[O-])c1[N+](=O)[O-]","O=[N+]([O-])c1cccc(N([N+](=O)[O-])[N+](=O)[O-])c1[N+](=O)[O-]",{"$nulls":4},272.99816205600007,"Errors in neutralization"]
[4868,"CC(=O)OC1C(=O)NC(=O)NC1=O","53039-86-4","CC(=O)OC1C(=O)NC(=O)NC1=O","CC(=O)OC1C(NC(NC1=O)=O)=O",{"$nulls":4},186.027671292,"?"]
[4869,"Cc1cc(C)nc(Nc2ccccc2)n1","53112-28-0","Cc1cc(C)nc(Nc2ccccc2)n1","Cc1nc(nc(c1)C)Nc2ccccc2",{"$nulls":4},199.110947416,"?"]
[4870,"Clc1ccc(c(Cl)c1)c2ccc(Cl)cc2Cl","53469-21-9","Clc1ccc(-c2ccc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4871,"CCCCCCCO","53535-33-4","CCCCCCCO","CCCCCCCO",{"$nulls":4},116.120115132,"?"]
[4872,"Clc1cccc2c(Cl)c(Cl)c(Cl)cc12","53555-63-8","Clc1cc2c(Cl)cccc2c(Cl)c1Cl","Clc1c(c(c2c(c1)c(Cl)ccc2)Cl)Cl",{"$nulls":4},263.9067108480001,"?"]
[4873,"Clc1cc(Cl)c2cc(Cl)cc(Cl)c2c1","53555-64-9","Clc1cc(Cl)c2cc(Cl)cc(Cl)c2c1","Clc1cc2c(c(c1)Cl)cc(Cl)cc2Cl",{"$nulls":4},263.9067108480001,"?"]
[4874,"CC(C)Cc1ccc(cc1)C(C)C(=O)NO","53648-05-8","CC(C)Cc1ccc(C(C)C(=O)NO)cc1","CC(C)Cc1ccc(cc1)C(C)C(=O)NO",{"$nulls":4},221.141578848,"?"]
[4875,"Clc1cc(c(Cl)c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","53742-07-7","Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},459.727499152,"?"]
[4876,"O[S](=O)(=O)c1[nH]ccn1","53744-47-1","O=S(=O)(O)c1ncc[nH]1","O=S(=O)(O)c1[nH]ccn1",{"$nulls":4},147.994262988,"?"]
[4877,"CC(=O)Nc1cc(N[S](=O)(=O)C(F)(F)F)c(C)cc1C","53780-34-0","CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C","CC(=O)Nc1c(cc(c(c1)NS(=O)(=O)C(F)(F)F)C)C",{"$nulls":4},310.05989793600037,"?"]
[4878,null,"53808-87-0",{"$nulls":7},""]
[4879,null,"53893-44-0",{"$nulls":7},""]
[4880,"Ic1ccc2COC(=O)c2c1","53910-10-4","O=C1OCc2ccc(I)cc21","O=C1c2c(CO1)ccc(I)c2",{"$nulls":4},259.9334274000001,"?"]
[4881,null,"53943-60-5",{"$nulls":7},""]
[4882,null,"53943-61-6",{"$nulls":7},""]
[4883,null,"53943-64-9",{"$nulls":7},""]
[4884,"CC=C(Cl)C(O)=O","53993-41-2","CC=C(Cl)C(=O)O","CC=C(Cl)C(=O)O",{"$nulls":4},119.99780708,"?"]
[4885,null,"53994-73-3",{"$nulls":7},""]
[4886,"CC(C)(NC(=O)c1ccccc1)C(N)=O","54016-23-8","CC(C)(NC(=O)c1ccccc1)C(N)=O","CC(C)(NC(=O)c1ccccc1)C(N)=O",{"$nulls":4},206.105527688,"?"]
[4887,"COc1ccc(Cl)c(Cl)c1Cl","54135-80-7","COc1ccc(Cl)c(Cl)c1Cl","COc1c(c(c(cc1)Cl)Cl)Cl",{"$nulls":4},209.94059782,"?"]
[4888,null,"54345-92-5",{"$nulls":7},""]
[4889,"[O-][N+](=O)Nc1c(Br)cccc1Br","54381-71-4","O=[N+]([O-])Nc1c(Br)cccc1Br","O=[N+]([O-])Nc1c(cccc1Br)Br",{"$nulls":4},293.8639515680001,"?"]
[4890,"CCC=C(C)C(OC(=O)C1C(C=C(C)C)C1(C)C)C#C","54406-48-3","C#CC(OC(=O)C1C(C=C(C)C)C1(C)C)C(C)=CCC","C#CC(OC(=O)C1C(C1C=C(C)C)(C)C)C(C)=CCC",{"$nulls":4},274.1932800720005,"?"]
[4891,null,"54496-86-5",{"$nulls":7},""]
[4892,"CCCCC(=O)NCCNC(=O)CCCC","54535-60-3","CCCCC(=O)NCCNC(=O)CCCC","CCCCC(=O)NCCNC(=O)CCCC",{"$nulls":4},228.183778008,"?"]
[4893,"CCO[P](=S)(OCC)OC(Cl)C(Cl)(Cl)Cl","54593-83-8","CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl","CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl",{"$nulls":4},333.89206256200026,"?"]
[4894,"O=NN1CCCC1=O","54634-49-0","O=NN1CCCC1=O","O=NN1C(CCC1)=O",{"$nulls":4},114.042927432,"?"]
[4895,"CC[CH](C)[CH](NC(C)=O)C(O)=O","54831-20-8","CCC(C)C(NC(C)=O)C(=O)O","CCC(C)C(NC(C)=O)C(=O)O",{"$nulls":4},173.10519334,"?"]
[4896,"CSc1cc(O)cc(O)c1","54839-91-7","CSc1cc(O)cc(O)c1","CSc1cc(cc(c1)O)O",{"$nulls":4},156.024500496,"?"]
[4897,"CCCCSc1cc(O)cc(O)c1","54839-92-8","CCCCSc1cc(O)cc(O)c1","CCCCSc1cc(cc(c1)O)O",{"$nulls":4},198.071450688,"?"]
[4898,"CCCC[CH](NC(C)=O)C(O)=O","54896-21-8","CCCCC(NC(C)=O)C(=O)O","CCCCC(NC(C)=O)C(=O)O",{"$nulls":4},173.10519334,"?"]
[4899,"CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3","55179-31-2","CC(C)(C)C(O)C(Oc1ccc(-c2ccccc2)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)-c2ccccc2)n3ncnc3",{"$nulls":4},337.1790269760007,"?"]
[4900,"Clc1ccccc1c2c(Cl)cc(Cl)c(Cl)c2Cl","55215-17-3","Clc1ccccc1-c1c(Cl)cc(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4901,"Clc1cccc(c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl","55215-18-4","Clc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4902,"CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2","55219-65-3","CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},295.10875449600053,"?"]
[4903,"CCCn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12","55242-55-2","CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C","CCCn1c2c(nc1)n(c(n(c2=O)CCCCC(C)=O)=O)C",{"$nulls":4},306.1691905640006,"?"]
[4904,"O=C1CN(CC2N1CCc3ccccc23)C(=O)C4CCCCC4","55268-74-1","O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1","O=C(C1CCCCC1)N2CC3N(C(C2)=O)CCc4c3cccc4",{"$nulls":4},312.1837780080007,"?"]
[4905,"CCN(CC(C)=C)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","55283-68-6","C=C(C)CN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","C=C(C)CN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},333.09364058800037,"?"]
[4906,null,"55285-14-8",{"$nulls":7},""]
[4907,"CC1=C(C)[S](=O)(=O)CC[S]1(=O)=O","55290-64-7","CC1=C(C)S(=O)(=O)CCS1(=O)=O","CC=1S(CCS(C1C)(=O)=O)(=O)=O",{"$nulls":4},210.0020508,"?"]
[4908,"Clc1ccccc1c2cc(Cl)c(Cl)c(Cl)c2Cl","55312-69-1","Clc1ccccc1-c1cc(Cl)c(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4909,"CCCO[P](=O)(OCC)OCCC","55312-81-7","CCCOP(=O)(OCC)OCCC","CCCOP(=O)(OCC)OCCC",{"$nulls":4},210.102095718,"?"]
[4910,"C1CN(CCS1)c2ccccc2","55330-78-4","c1ccc(N2CCSCC2)cc1","c1ccc(cc1)N2CCSCC2",{"$nulls":4},179.076870416,"?"]
[4911,"OC(=O)COc1nc(Cl)c(Cl)cc1Cl","55335-06-3","O=C(O)COc1nc(Cl)c(Cl)cc1Cl","O=C(O)COc1c(cc(c(n1)Cl)Cl)Cl",{"$nulls":4},254.925676028,"?"]
[4912,"CN1CC(O)N(C1=O)c2sc(nn2)C(C)(C)C","55511-98-3","CN1CC(O)N(c2nnc(C(C)(C)C)s2)C1=O","CN1C(N(C(C1)O)c2sc(nn2)C(C)(C)C)=O",{"$nulls":4},256.099396752,"?"]
[4913,"CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c2ccccc2","55512-33-9","CCCCCCCCSC(=O)Oc1cc(Cl)nnc1-c1ccccc1","CCCCCCCCSC(=O)Oc1c(nnc(c1)Cl)-c2ccccc2",{"$nulls":4},378.11687665600067,"?"]
[4914,null,"55538-69-7",{"$nulls":7},""]
[4915,null,"55645-89-1",{"$nulls":7},""]
[4916,"Clc1ccc(Cl)c(c2ccccc2)c1Cl","55702-45-9","Clc1ccc(Cl)c(-c2ccccc2)c1Cl","Clc1c(c(c(cc1)Cl)-c2ccccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4917,"Clc1ccc(c2ccccc2)c(Cl)c1Cl","55702-46-0","Clc1ccc(-c2ccccc2)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2ccccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4918,"[O-][N+](=O)Nc1ccccc1[N+]([O-])=O","55704-91-1","O=[N+]([O-])Nc1ccccc1[N+](=O)[O-]","O=[N+]([O-])Nc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},183.02800564,"?"]
[4919,"Clc1ccc2cc(Cl)cc(Cl)c2c1","55720-37-1","Clc1cc(Cl)c2cc(Cl)ccc2c1","Clc1cc2c(c(c1)Cl)cc(Cl)cc2",{"$nulls":4},229.9456832,"?"]
[4920,"Clc1ccc2cc(Cl)c(Cl)cc2c1","55720-40-6","Clc1ccc2cc(Cl)c(Cl)cc2c1","Clc1cc2c(cc1)cc(Cl)c(Cl)c2",{"$nulls":4},229.9456832,"?"]
[4921,"Clc1ccc(Cl)c2cc(Cl)c(Cl)cc12","55720-43-9","Clc1cc2c(Cl)ccc(Cl)c2cc1Cl","Clc1c(cc2c(c1)c(Cl)ccc2Cl)Cl",{"$nulls":4},263.9067108480001,"?"]
[4922,"CC1=CC(=O)N(N1)c2ccccc2","55774-20-4","Cc1cc(=O)n(-c2ccccc2)[nH]1","Cc1[nH]n(c(c1)=O)-c2ccccc2",{"$nulls":4},174.07931294,"?"]
[4923,"CC(C)Oc1cccc(NC(=O)c2ccccc2C)c1","55814-41-0","Cc1ccccc1C(=O)Nc1cccc(OC(C)C)c1","Cc1c(cccc1)C(=O)Nc2cc(ccc2)OC(C)C",{"$nulls":4},269.1415788480004,"?"]
[4924,"CN(C)C(=O)Nc1cc(on1)C(C)(C)C","55861-78-4","CN(C)C(=O)Nc1cc(C(C)(C)C)on1","CN(C)C(=O)Nc1noc(c1)C(C)(C)C",{"$nulls":4},211.132076784,"?"]
[4925,"CCC(=O)N(c1ccccc1)C2(CCN(CCc3sccc3)CC2)COC","56030-54-7","CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1","CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3sccc3)COC",{"$nulls":4},386.2027992000008,"?"]
[4926,"Clc1ccc(c(Cl)c1)c2c(Cl)cc(Cl)c(Cl)c2Cl","56030-56-9","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4927,"CCO[P](=S)(OCC)SC[S](=O)(=O)C(C)(C)C","56070-16-7","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C",{"$nulls":4},320.0339587820006,"?"]
[4928,"CCCC(C)CC(C)O","56298-90-9","CCCC(C)CC(C)O","CCCC(C)CC(C)O",{"$nulls":4},130.135765196,"?"]
[4929,"O=C1CCCCCNC(=O)CCCCCNC(=O)CCCCCN1","56403-08-8","O=C1CCCCCNC(=O)CCCCCNC(=O)CCCCCN1","O=C1NCCCCCC(NCCCCCC(NCCCCC1)=O)=O",{"$nulls":4},339.252191916001,"?"]
[4930,"CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c2cncnc2","56425-91-3","CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c1cncnc1","CC(C)C(O)(c1ccc(cc1)OC(F)(F)F)c2cncnc2",{"$nulls":4},312.1085623800005,"?"]
[4931,"O=CC(=O)Cc1ccccc1","56485-04-2","O=CC(=O)Cc1ccccc1","O=CC(=O)Cc1ccccc1",{"$nulls":4},148.052429496,"?"]
[4932,"Clc1cc(Cl)c(c(Cl)c1)c2c(Cl)cccc2Cl","56558-16-8","Clc1cc(Cl)c(-c2c(Cl)cccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cccc2Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4933,"Clc1cc(Cl)c(c(Cl)c1)c2ccc(Cl)c(Cl)c2","56558-17-9","Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2cc(c(cc2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4934,"Clc1cc(Cl)c(c(Cl)c1)c2cc(Cl)cc(Cl)c2","56558-18-0","Clc1cc(Cl)cc(-c2c(Cl)cc(Cl)cc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4935,null,"56563-17-8",{"$nulls":7},""]
[4936,null,"56563-18-9",{"$nulls":7},""]
[4937,"CC(C)(C)c1ccccc1O[P](=O)(Oc2ccccc2)Oc3ccccc3","56803-37-3","CC(C)(C)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1","CC(C)(C)c1c(cccc1)OP(=O)(Oc2ccccc2)Oc3ccccc3",{"$nulls":4},382.1333958460006,"?"]
[4938,"CO[P](=S)(OC)Oc1c(Cl)cc(C)cc1Cl","57018-04-9","COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl","COP(=S)(OC)Oc1c(cc(cc1Cl)C)Cl",{"$nulls":4},299.9543572020003,"?"]
[4939,"CSC1=NN=C(C(=O)N1N=CC(C)C)C(C)(C)C","57052-04-7","CSc1nnc(C(C)(C)C)c(=O)n1N=CC(C)C","CSc1n(c(c(nn1)C(C)(C)C)=O)N=CC(C)C",{"$nulls":4},268.1357822600003,"?"]
[4940,"COc1c(O)cc(Cl)c(Cl)c1Cl","57057-83-7","COc1c(O)cc(Cl)c(Cl)c1Cl","COc1c(c(c(cc1O)Cl)Cl)Cl",{"$nulls":4},225.93551244,"?"]
[4941,"Clc1cc2oc3c(Cl)c(Cl)c(Cl)cc3c2cc1Cl","57117-31-4","Clc1cc2oc3c(Cl)c(Cl)c(Cl)cc3c2cc1Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3Cl)Cl)Cl)Cl",{"$nulls":4},337.8626531160001,"?"]
[4942,"Nc1ccc(cn1)[S](N)(=O)=O","57187-73-2","Nc1ccc(S(N)(=O)=O)cn1","Nc1ncc(cc1)S(N)(=O)=O",{"$nulls":4},173.025897464,"?"]
[4943,"NC(=O)C[CH](O)C(O)=O","57229-74-0","NC(=O)CC(O)C(=O)O","NC(=O)CC(O)C(=O)O",{"$nulls":4},133.037507704,"?"]
[4944,"Nc1ccc2COC(=O)c2c1","57319-65-0","Nc1ccc2c(c1)C(=O)OC2","Nc1cc2c(cc1)COC2=O",{"$nulls":4},149.047678464,"?"]
[4945,"O=C1CCc2cccc3CCN1c23","57369-32-1","O=C1CCc2cccc3c2N1CC3","O=C1N2c3c(CC1)cccc3CC2",{"$nulls":4},173.084063972,"?"]
[4946,"CCN(C(=O)Oc1cccc(NC(=O)OC(C)C)c1)c2ccccc2","57375-63-0","CCN(C(=O)Oc1cccc(NC(=O)OC(C)C)c1)c1ccccc1","CCN(C(=O)Oc1cc(ccc1)NC(=O)OC(C)C)c2ccccc2",{"$nulls":4},342.1579571840006,"?"]
[4947,"FC(F)(F)c1cccc(c1)C(n2cncn2)(c3ccccc3)c4ccccc4","57381-79-0","FC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)n2cncn2)c1","FC(F)(F)c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4ncnc4",{"$nulls":4},379.12963217200047,"?"]
[4948,"CN(CCOC(=O)c1ccccc1)C(C)=O","57440-16-1","CC(=O)N(C)CCOC(=O)c1ccccc1","CC(=O)N(C)CCOC(=O)c1ccccc1",{"$nulls":4},221.10519334,"?"]
[4949,"COC(=O)C(C)N(C(=O)c1occc1)c2c(C)cccc2C","57646-30-7","COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C","COC(=O)C(C)N(C(=O)c1occc1)c2c(cccc2C)C",{"$nulls":4},301.1314080880005,"?"]
[4950,"COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C","57837-19-1","COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC",{"$nulls":4},279.14705815200057,"?"]
[4951,"CCNC(=O)NC(=O)C(=NOC)C#N","57966-95-7","CCNC(=O)NC(=O)C(C#N)=NOC","CCNC(=O)NC(=O)C(C#N)=NOC",{"$nulls":4},198.07529018,"?"]
[4952,"CC(C)OC(=O)[CH](C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2","57973-67-8","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},363.10374936800054,"?"]
[4953,"Cc1ccc(cc1)N=Nc2cc(C)ccc2N","58010-91-6","Cc1ccc(N=Nc2cc(C)ccc2N)cc1","Cc1ccc(cc1)N=Nc2c(ccc(c2)C)N",{"$nulls":4},225.12659748,"?"]
[4954,"[O-]C(=O)c1cc[nH]n1","58011-68-0","O=C([O-])c1cc[nH]n1","O=C(O)c1n[nH]cc1",{"$nulls":4},111.019452336,"Structure has been neutralized"]
[4955,"CCC1(CC)C(=NC(=O)NC1=O)N","58042-95-8","CCC1(CC)C(=O)NC(=O)N=C1N","CCC1(C(=NC(NC1=O)=O)N)CC",{"$nulls":4},183.100776656,"?"]
[4956,null,"58266-38-9",{"$nulls":7},""]
[4957,null,"58266-39-0",{"$nulls":7},""]
[4958,"CC1OC(=O)c2cc(ccc12)[N+]([O-])=O","58335-58-3","CC1OC(=O)c2cc([N+](=O)[O-])ccc21","CC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2",{"$nulls":4},193.037507704,"?"]
[4959,"Cc1cc(ccc1N=Nc2c(Cl)cc(cc2Cl)[N+]([O-])=O)N(CCO)CCO","58528-60-2","Cc1cc(N(CCO)CCO)ccc1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl","Cc1c(ccc(c1)N(CCO)CCO)N=Nc2c(cc(cc2Cl)[N+](=O)[O-])Cl","[2H]IS",{"$nulls":3},572.9627044800004,"?"]
[4960,"Nc1c(Br)cc(Br)c(c1Br)[S](O)(=O)=O","58585-89-0","Nc1c(Br)cc(Br)c(S(=O)(=O)O)c1Br","Nc1c(c(c(cc1Br)Br)S(=O)(=O)O)Br",{"$nulls":4},406.746200288,"?"]
[4961,"CC(N(c1ccc(F)c(Cl)c1)C(=O)c2ccccc2)C(O)=O","58667-63-3","CC(C(=O)O)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C(=O)O)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},321.0567991760003,"?"]
[4962,"Cc1cccc(C)c1N(C2CCOC2=O)C(=O)CCl","58810-48-3","Cc1cccc(C)c1N(C(=O)CCl)C1CCOC1=O","Cc1c(c(ccc1)C)N(C(=O)CCl)C2C(OCC2)=O",{"$nulls":4},281.08187105200045,"?"]
[4963,"CCCCC(CC)C(=O)NC(N)=O","58850-93-4","CCCCC(CC)C(=O)NC(N)=O","CCCCC(CC)C(=O)NC(N)=O",{"$nulls":4},186.136827816,"?"]
[4964,null,"58944-05-1",{"$nulls":7},""]
[4965,null,"58944-06-2",{"$nulls":7},""]
[4966,"CCc1[nH]c(C(O)=O)c(n1)C(O)=O","58954-22-6","CCc1nc(C(=O)O)c(C(=O)O)[nH]1","CCc1[nH]c(c(n1)C(=O)O)C(=O)O",{"$nulls":4},184.048406736,"?"]
[4967,"CCCc1[nH]c(C(O)=O)c(n1)C(O)=O","58954-23-7","CCCc1nc(C(=O)O)c(C(=O)O)[nH]1","CCCc1[nH]c(c(n1)C(=O)O)C(=O)O",{"$nulls":4},198.0640568,"?"]
[4968,"CO[CH]1O[CH](CNC(=O)N(CCCl)N=O)[CH](O)[CH](O)[CH]1O","58994-96-0","COC1OC(CNC(=O)N(CCCl)N=O)C(O)C(O)C1O","COC1C(C(C(C(O1)CNC(=O)N(CCCl)N=O)O)O)O",{"$nulls":4},327.08332759600046,"?"]
[4969,null,"59039-21-3",{"$nulls":7},""]
[4970,"CCCO[P](=O)(OC)OC","59259-32-4","CCCOP(=O)(OC)OC","CCCOP(=O)(OC)OC",{"$nulls":4},168.055145526,"?"]
[4971,"NC1=NC(=O)c2ncn(COCCO)c2N1","59277-89-3","Nc1nc(=O)c2ncn(COCCO)c2[nH]1","Nc1[nH]c2c(c(n1)=O)ncn2COCCO",{"$nulls":4},225.086189212,"?"]
[4972,"Clc1cc(Cl)c(c(Cl)c1)c2ccc(Cl)c(Cl)c2Cl","59291-64-4","Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4973,"CC(C)C=CCC(O)=O","59320-76-2","CC(C)C=CCC(=O)O","CC(C)C=CCC(=O)O",{"$nulls":4},128.083729624,"?"]
[4974,"CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC","59669-26-0","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC",{"$nulls":4},354.0490180560005,"?"]
[4975,"CN1C=C(c2ccccc2)C(=O)C(=C1)c3cccc(c3)C(F)(F)F","59756-60-4","Cn1cc(-c2ccccc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1","Cn1cc(c(c(c1)-c2ccccc2)=O)-c3cc(ccc3)C(F)(F)F",{"$nulls":4},329.1027487280004,"?"]
[4976,"COC(=O)C1CN(C)C(=O)C1","59857-86-2","COC(=O)C1CC(=O)N(C)C1","COC(=O)C1CN(C(C1)=O)C",{"$nulls":4},157.073893212,"?"]
[4977,"CCOc1ccccc1C=CC(O)=O","59923-03-4","CCOc1ccccc1C=CC(=O)O","CCOc1c(cccc1)C=CC(=O)O",{"$nulls":4},192.078644244,"?"]
[4978,"Clc1ccc(Cl)c(c1)c2c(Cl)cc(Cl)cc2Cl","60145-21-3","Clc1cc(Cl)c(-c2cc(Cl)ccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(ccc(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4979,"Clc1cc(Cl)c(c(Cl)c1)c2cc(Cl)c(Cl)cc2Cl","60145-22-4","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4980,"Clc1cc(Cl)c(c(Cl)c1)c2cc(Cl)c(Cl)c(Cl)c2Cl","60145-23-5","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4981,"CC(C)([S](C)(=O)=O)[S](C)(=O)=O","60154-00-9","CC(C)(S(C)(=O)=O)S(C)(=O)=O","CC(C)(S(C)(=O)=O)S(C)(=O)=O",{"$nulls":4},200.017700864,"?"]
[4982,"CN1C=C(I)C=CC1=O","60154-05-4","Cn1cc(I)ccc1=O","Cn1c(ccc(c1)I)=O",{"$nulls":4},234.949411812,"?"]
[4983,"CC(O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I","60166-93-0","CC(O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I","CC(O)C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I",{"$nulls":4},776.8541086640005,"?"]
[4984,"OC(c1ccc(Cl)cc1)(c2cncnc2)c3ccccc3Cl","60168-88-9","OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl","OC(c1ccc(cc1)Cl)(c2cncnc2)c3c(cccc3)Cl",{"$nulls":4},330.03266836400036,"?"]
[4985,null,"60207-31-0",{"$nulls":7},""]
[4986,"CCCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl","60207-90-1","CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1","CCCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl",{"$nulls":4},341.0697821440005,"?"]
[4987,null,"60207-93-4",{"$nulls":7},""]
[4988,"Clc1cccc(c1)c2c(Cl)cc(Cl)cc2Cl","60233-24-1","Clc1cccc(-c2c(Cl)cc(Cl)cc2Cl)c1","Clc1cc(ccc1)-c2c(cc(cc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4989,"Clc1cc(Cl)c(c(Cl)c1)c2cccc(Cl)c2Cl","60233-25-2","Clc1cc(Cl)c(-c2cccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4990,null,"60238-56-4",{"$nulls":7},""]
[4991,"OC(=O)[CH]1CC[CH]([Se][Se]1)C(O)=O","60295-67-2","O=C(O)C1CCC(C(=O)O)[Se][Se]1","O=C(O)C1[Se][Se]C(CC1)C(=O)O",{"$nulls":4},303.8753013360002,"?"]
[4992,"CCSC(C(O)=O)c1ccccc1","60340-41-2","CCSC(C(=O)O)c1ccccc1","CCSC(C(=O)O)c1ccccc1",{"$nulls":4},196.055800624,"?"]
[4993,"CCCC(=O)CC(=O)C(O)=O","60415-20-5","CCCC(=O)CC(=O)C(=O)O","CCCC(=O)CC(=O)C(=O)O",{"$nulls":4},158.0579088,"?"]
[4994,"CCCCC(=O)CC(=O)C(O)=O","60415-21-6","CCCCC(=O)CC(=O)C(=O)O","CCCCC(=O)CC(=O)C(=O)O",{"$nulls":4},172.073558864,"?"]
[4995,"CON(C1CCCCC1)C(=O)c2cc(C)oc2C","60568-05-0","CON(C(=O)c1cc(C)oc1C)C1CCCCC1","CON(C(=O)c1c(oc(c1)C)C)C2CCCCC2",{"$nulls":4},251.152143532,"?"]
[4996,null,"60574-00-7",{"$nulls":7},""]
[4997,"O[S](=O)(=O)c1c[nH]cn1","60634-74-4","O=S(=O)(O)c1c[nH]cn1","O=S(=O)(O)c1nc[nH]c1",{"$nulls":4},147.994262988,"?"]
[4998,"CCCCOCCOCCO.NC(O)=O","60653-87-4","CCCCOCCOCCO","CCCCOCCOCCO","NC(O)=O",{"$nulls":3},223.141972772,"?"]
[4999,null,"60662-64-8",{"$nulls":7},""]
[5000,null,"60784-70-5",{"$nulls":7},""]
[5001,"C[CH]1CC[CH](CC1)C(N)=O","60940-94-5","CC1CCC(C(N)=O)CC1","CC1CCC(CC1)C(N)=O",{"$nulls":4},141.1153641,"?"]
[5002,"FC(F)(F)c1cccc(c1)N2CC(CCl)C(Cl)C2=O","61213-25-0","O=C1C(Cl)C(CCl)CN1c1cccc(C(F)(F)F)c1","O=C1N(CC(C1Cl)CCl)c2cc(ccc2)C(F)(F)F",{"$nulls":4},311.0091539600002,"?"]
[5003,"NC(=S)NC#N","61296-28-4","N#CNC(N)=S","N#CNC(N)=S",{"$nulls":4},101.00476809599999,"?"]
[5004,null,"61328-44-7",{"$nulls":7},""]
[5005,"CCC(=O)OC(C)C(=O)OC","61402-72-0","CCC(=O)OC(C)C(=O)OC","CCC(=O)OC(C)C(=O)OC",{"$nulls":4},160.073558864,"?"]
[5006,"CC(C)(SC(=O)N1CCCCC1)c2ccccc2","61432-55-1","CC(C)(SC(=O)N1CCCCC1)c1ccccc1","CC(C)(SC(=O)N1CCCCC1)c2ccccc2",{"$nulls":4},263.1343852920002,"?"]
[5007,"CC(C)Cc1[nH]ccn1","61491-92-7","CC(C)Cc1ncc[nH]1","CC(C)Cc1[nH]ccn1",{"$nulls":4},124.10004838399999,"?"]
[5008,"CN1C=CSC1=Nc2ccc(C)cc2C","61676-87-7","Cc1ccc(N=c2sccn2C)c(C)c1","Cc1cc(c(cc1)N=c2n(ccs2)C)C",{"$nulls":4},218.087769448,"?"]
[5009,"CSC(=NC)N(C)C","61713-37-9","CN=C(SC)N(C)C","CN=C(SC)N(C)C",{"$nulls":4},132.072119384,"?"]
[5010,"Clc1cccc(c1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl","61798-70-7","Clc1cccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5011,"OCCNC(=O)c1cc(O)ccc1O","61969-53-7","O=C(NCCO)c1cc(O)ccc1O","O=C(NCCO)c1c(ccc(c1)O)O",{"$nulls":4},197.068807832,"?"]
[5012,"Nc1c2cc(ccc2c(cc1[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O","61986-93-4","Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(S(=O)(=O)O)cc12","Nc1c2c(c(cc1S(=O)(=O)O)S(=O)(=O)O)ccc(S(=O)(=O)O)c2",{"$nulls":4},382.9439438680001,"?"]
[5013,null,"62046-37-1",{"$nulls":7},""]
[5014,"OC(=O)C(=O)c1ccc2OCOc2c1","62396-98-9","O=C(O)C(=O)c1ccc2c(c1)OCO2","O=C(O)C(=O)c1cc2c(cc1)OCO2",{"$nulls":4},194.02152329199998,"?"]
[5015,"COC(=O)C(C)=CO[P](=S)(OC)OC","62610-77-9","COC(=O)C(C)=COP(=S)(OC)OC","COC(=O)C(C)=COP(=S)(OC)OC",{"$nulls":4},240.022131146,"?"]
[5016,null,"62641-29-6",{"$nulls":7},""]
[5017,"Clc1cc(Cl)c(c(Cl)c1)c2ccccc2Cl","62796-65-0","Clc1cc(Cl)c(-c2ccccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cccc2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5018,"CN(C)C(=O)SCCCCOc1ccccc1","62850-32-2","CN(C)C(=O)SCCCCOc1ccccc1","CN(C)C(=O)SCCCCOc1ccccc1",{"$nulls":4},253.113649848,"?"]
[5019,"Cc1c(Cl)cc(cc1Cl)C2=NNC(=O)C=C2","62865-36-5","Cc1c(Cl)cc(-c2ccc(=O)[nH]n2)cc1Cl","Cc1c(cc(cc1Cl)-c2n[nH]c(cc2)=O)Cl",{"$nulls":4},254.001368236,"?"]
[5020,"CCN(Cc1c(F)cccc1Cl)c2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","62924-70-3","CCN(Cc1c(F)cccc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCN(Cc1c(cccc1F)Cl)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},421.04524642400025,"?"]
[5021,null,"63020-38-2",{"$nulls":7},""]
[5022,null,"63278-33-1",{"$nulls":7},""]
[5023,null,"63284-71-9",{"$nulls":7},""]
[5024,null,"63646-51-5",{"$nulls":7},""]
[5025,"CCCC(Br)(CCC)C(N)=O","63718-48-9","CCCC(Br)(CCC)C(N)=O","CCCC(Br)(CCC)C(N)=O",{"$nulls":4},221.041526232,"?"]
[5026,"COC(=O)[CH](C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2","63729-98-6","COC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},335.0724492400004,"?"]
[5027,"CC(C)OC(=O)[CH](C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2","63782-90-1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},363.10374936800054,"?"]
[5028,"CC[CH]1OC[CH](COc2ccc(Oc3ccccc3)cc2)O1","63837-33-2","CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1","CCC1OC(CO1)COc2ccc(cc2)Oc3ccccc3",{"$nulls":4},300.1361591200005,"?"]
[5029,null,"63906-63-8",{"$nulls":7},""]
[5030,"ClCCN(Cl)CCCl","63915-60-6","ClCCN(Cl)CCCl","ClCCN(Cl)CCCl",{"$nulls":4},174.972232296,"?"]
[5031,"CCOc1ccc(cc1)C2(CC2(Cl)Cl)C(=O)OC(C#N)c3cccc(Oc4ccccc4)c3","63935-38-6","CCOc1ccc(C2(C(=O)OC(C#N)c3cccc(Oc4ccccc4)c3)CC2(Cl)Cl)cc1","CCOc1ccc(cc1)C2(C(C2)(Cl)Cl)C(=O)OC(C#N)c3cc(ccc3)Oc4ccccc4",{"$nulls":4},481.08476351200056,"?"]
[5032,null,"63981-46-4",{"$nulls":7},""]
[5033,null,"64002-57-9",{"$nulls":7},""]
[5034,null,"64098-82-4",{"$nulls":7},""]
[5035,"CO[P](=S)(OC)SCC(=O)N(C(C)C)c1ccc(Cl)cc1","64249-01-0","COP(=S)(OC)SCC(=O)N(c1ccc(Cl)cc1)C(C)C","COP(=S)(OC)SCC(=O)N(c1ccc(cc1)Cl)C(C)C",{"$nulls":4},367.02324977800055,"?"]
[5036,"CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","64257-84-7","CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C",{"$nulls":4},349.16779359600065,"?"]
[5037,"C[CH](CCC(=O)NCC(O)=O)[CH]1CCC2C3[CH](O)C[CH]4C[CH](O)CC[C]4(C)C3CC[C]12C","64480-66-6","CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",{"$nulls":4},449.31412347600116,"?"]
[5038,"CCSC1=NN=C(C(=O)N1N)C(C)(C)C","64529-56-2","CCSc1nnc(C(C)(C)C)c(=O)n1N","CCSc1n(c(c(nn1)C(C)(C)C)=O)N",{"$nulls":4},228.104482132,"?"]
[5039,"FC(F)(F)Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1","64628-44-0","O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1","O=C(NC(=O)c1c(cccc1)Cl)Nc2ccc(cc2)OC(F)(F)F",{"$nulls":4},358.0332045200003,"?"]
[5040,null,"64635-92-3",{"$nulls":7},""]
[5041,"NC(=O)COC(=O)c1ccccc1","64649-43-0","NC(=O)COC(=O)c1ccccc1","NC(=O)COC(=O)c1ccccc1",{"$nulls":4},179.058243148,"?"]
[5042,"CCNC(=O)COC(=O)c1ccccc1","64649-57-6","CCNC(=O)COC(=O)c1ccccc1","CCNC(=O)COC(=O)c1ccccc1",{"$nulls":4},207.089543276,"?"]
[5043,"CCN(CC)C(=O)COC(=O)c1ccccc1","64649-63-4","CCN(CC)C(=O)COC(=O)c1ccccc1","CCN(CC)C(=O)COC(=O)c1ccccc1",{"$nulls":4},235.120843404,"?"]
[5044,null,"64682-95-7",{"$nulls":7},""]
[5045,"CCNC(C)C(O)=O","64991-30-6","CCNC(C)C(=O)O","CCNC(C)C(=O)O",{"$nulls":4},117.078978592,"?"]
[5046,"OC(=O)n1cnc2NCNCc12","65029-15-4","O=C(O)n1cnc2c1CNCN2","O=C(O)n1c2c(nc1)NCNC2",{"$nulls":4},168.064725496,"?"]
[5047,null,"65075-00-5",{"$nulls":7},""]
[5048,null,"65267-24-5",{"$nulls":7},""]
[5049,null,"65267-25-6",{"$nulls":7},""]
[5050,null,"65267-26-7",{"$nulls":7},""]
[5051,null,"65267-27-8",{"$nulls":7},""]
[5052,null,"65413-42-5",{"$nulls":7},""]
[5053,"Clc1ccc(c(Cl)c1)c2ccc(Cl)c(Cl)c2Cl","65510-45-4","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5054,"S=C1N=CNc2nccnc12","65882-61-3","S=c1nc[nH]c2nccnc12","S=c1c2c([nH]cn1)nccn2",{"$nulls":4},164.015667128,"?"]
[5055,"CCCCOC(=O)N(C)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12","65907-30-4","CCCCOC(=O)N(C)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2","CCCCOC(=O)N(C)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C",{"$nulls":4},382.1562429320007,"?"]
[5056,null,"65934-94-3",{"$nulls":7},""]
[5057,"CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+]([O-])=O","65934-95-4","CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+](=O)[O-]","CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+](=O)[O-]",{"$nulls":4},281.0899372000004,"?"]
[5058,"Clc1ccc(CN(C2CCCC2)C(=O)Nc3ccccc3)cc1","66063-05-6","O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1","O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3",{"$nulls":4},328.1342409720006,"?"]
[5059,"CC(C)[CH](C(=O)O[CH](C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3","66230-04-4","CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl",{"$nulls":4},419.1288212440006,"?"]
[5060,"CCCC(Cn1cncn1)c2ccc(Cl)cc2Cl","66246-88-6","CCCC(Cn1cncn1)c1ccc(Cl)cc1Cl","CCCC(Cn1ncnc1)c2c(cc(cc2)Cl)Cl",{"$nulls":4},283.06430284000044,"?"]
[5061,null,"66261-38-9",{"$nulls":7},""]
[5062,"CCOC(=O)CNC(=O)c1occc1","66318-15-8","CCOC(=O)CNC(=O)c1ccco1","CCOC(=O)CNC(=O)c1occc1",{"$nulls":4},197.068807832,"?"]
[5063,"CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1","66332-96-5","CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1","CC(C)Oc1cc(ccc1)NC(=O)c2c(cccc2)C(F)(F)F",{"$nulls":4},323.1133134120005,"?"]
[5064,null,"66371-02-6",{"$nulls":7},""]
[5065,"NC(=O)CC(O)C(O)=O","66398-52-5","NC(=O)CC(O)C(=O)O","NC(=O)CC(O)C(=O)O",{"$nulls":4},133.037507704,"?"]
[5066,"CCOC(=O)C(C)Oc1ccc(Oc2oc3cc(Cl)ccc3n2)cc1","66441-23-4","CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",{"$nulls":4},361.07170029200046,"?"]
[5067,null,"66794-60-3",{"$nulls":7},""]
[5068,"CC1(C)[CH](C(Br)C(Br)(Br)Br)[CH]1C(=O)O[CH](C#N)c2cccc(Oc3ccccc3)c2","66841-25-6","CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1C(Br)C(Br)(Br)Br","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C(Br)C(Br)(Br)Br)C",{"$nulls":4},660.8098418680005,"?"]
[5069,"CCCC(Br)C(=O)NC(N)=O","66947-87-3","CCCC(Br)C(=O)NC(N)=O","CCCC(Br)C(=O)NC(N)=O",{"$nulls":4},222.000389692,"?"]
[5070,"CN(C)C1CCCC=CCC1","66950-37-6","CN(C)C1CCC=CCCC1","CN(C)C1CCCC=CCC1",{"$nulls":4},153.151749608,"?"]
[5071,"CNC(=O)Sc1ccc(O[S](C)(=O)=O)cc1","66952-49-6","CNC(=O)Sc1ccc(OS(C)(=O)=O)cc1","CNC(=O)Sc1ccc(cc1)OS(C)(=O)=O",{"$nulls":4},261.0129498320001,"?"]
[5072,"CC1(CCCC1=O)C#N","66984-18-7","CC1(C#N)CCCC1=O","CC1(C(CCC1)=O)C#N",{"$nulls":4},123.068413908,"?"]
[5073,"Clc1ccc2Oc3c(Cl)c(Cl)c(Cl)cc3Oc2c1","67028-18-6","Clc1ccc2c(c1)Oc1cc(Cl)c(Cl)c(Cl)c1O2","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)c(Cl)c3Cl",{"$nulls":4},319.8965400880001,"?"]
[5074,null,"67051-30-3",{"$nulls":7},""]
[5075,"Cc1cccc(C)c1N(Cn2cccn2)C(=O)CCl","67129-08-2","Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl","Cc1c(c(ccc1)C)N(Cn2nccc2)C(=O)CCl",{"$nulls":4},277.09818981200044,"?"]
[5076,"CCC(CC)(CC)NC(N)=O","67216-85-7","CCC(CC)(CC)NC(N)=O","CCC(CC)(CC)NC(N)=O",{"$nulls":4},158.141913196,"?"]
[5077,null,"67242-91-5",{"$nulls":7},""]
[5078,null,"67299-16-5",{"$nulls":7},""]
[5079,"CC(CN1CC(C)OC(C)C1)Cc2ccc(cc2)C(C)(C)C","67306-03-0","CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)OC(C)C1","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C",{"$nulls":4},303.2562146760009,"?"]
[5080,"Cc1ccc(cc1[S](=O)(=O)NCC(O)=O)[N+]([O-])=O","67320-39-2","Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(=O)O","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)NCC(=O)O",{"$nulls":4},274.02595704000026,"?"]
[5081,"C[CH](N[S](=O)(=O)c1cc(ccc1C)[N+]([O-])=O)C(O)=O","67320-40-5","Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C(=O)O","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)NC(C)C(=O)O",{"$nulls":4},288.0416071040003,"?"]
[5082,null,"67375-30-8",{"$nulls":7},""]
[5083,"CC1(C)CNC(=NC1)NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F","67485-29-4","CC1(C)CN=C(NN=C(C=Cc2ccc(C(F)(F)F)cc2)C=Cc2ccc(C(F)(F)F)cc2)NC1","CC1(CNC(=NC1)NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F)C",{"$nulls":4},494.19051608800066,"?"]
[5084,"Clc1cc2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c23)c(Cl)c1Cl","67562-39-4","Clc1cc2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c32)c(Cl)c1Cl","Clc1c(c(c2c(c1)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",{"$nulls":4},405.78470841200004,"?"]
[5085,"CC(CN1CC(C)OC(C)C1)Cc2ccc(cc2)C(C)(C)C","67564-91-4","CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)OC(C)C1","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C",{"$nulls":4},303.2562146760009,"?"]
[5086,"Brc1cc2oc3cc(Br)c(Br)cc3c2cc1Br","67733-57-7","Brc1cc2oc3cc(Br)c(Br)cc3c2cc1Br","Brc1c(cc2c(c1)oc3c2cc(c(c3)Br)Br)Br",{"$nulls":4},479.69956314800015,"?"]
[5087,"CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2","67747-09-5","CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1","CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2cncc2",{"$nulls":4},375.03080979200047,"?"]
[5088,"CCCCCCCCCCCc1ccccc1","67774-74-7","CCCCCCCCCCCc1ccccc1","CCCCCCCCCCCc1ccccc1",{"$nulls":4},232.219100896,"?"]
[5089,null,"67792-85-2",{"$nulls":7},""]
[5090,null,"67856-67-1",{"$nulls":7},""]
[5091,"CCOC(CNCC(OCC)OCC)OCC","67856-69-3","CCOC(CNCC(OCC)OCC)OCC","CCOC(CNCC(OCC)OCC)OCC",{"$nulls":4},249.194008344,"?"]
[5092,"Brc1ccc(Br)c(c1)c2cc(Br)c(Br)cc2Br","67888-96-4","Brc1ccc(Br)c(-c2cc(Br)c(Br)cc2Br)c1","Brc1cc(c(cc1)Br)-c2c(cc(c(c2)Br)Br)Br",{"$nulls":4},543.6308106600002,"?"]
[5093,null,"67928-93-2",{"$nulls":7},""]
[5094,"O=C1NC=Cc2cccnc12","67967-11-7","O=c1[nH]ccc2cccnc12","O=c1c2c(cc[nH]1)cccn2",{"$nulls":4},146.048012812,"?"]
[5095,"Clc1cc(Cl)c(cc1OCC#C)N2N=C3CCCCN3C2=O","68049-83-2","C#CCOc1cc(-n2nc3n(c2=O)CCCC3)c(Cl)cc1Cl","C#CCOc1c(cc(c(c1)-n2c(n3c(n2)CCCC3)=O)Cl)Cl",{"$nulls":4},337.03848201600033,"?"]
[5096,"CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2","68085-85-8","CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)C(F)(F)F)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},449.10055580800054,"?"]
[5097,null,"68133-69-7",{"$nulls":7},""]
[5098,"Clc1cc(NC(=O)Nc2ccccc2)ccn1","68157-60-8","O=C(Nc1ccccc1)Nc1ccnc(Cl)c1","O=C(Nc1ccccc1)Nc2cc(ncc2)Cl",{"$nulls":4},247.05123962,"?"]
[5099,"Clc1ccc(c(Cl)c1)c2c(Cl)cccc2Cl","68194-04-7","Clc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cccc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5100,"Clc1ccc(c(Cl)c1)c2c(Cl)ccc(Cl)c2Cl","68194-05-8","Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5101,"Clc1ccc(c(Cl)c1)c2cc(Cl)cc(Cl)c2Cl","68194-07-0","Clc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(cc(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5102,"Clc1cc(Cl)cc(c1)c2c(Cl)ccc(Cl)c2Cl","68194-10-5","Clc1cc(Cl)cc(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5103,"Clc1ccc(cc1)c2c(Cl)c(Cl)cc(Cl)c2Cl","68194-11-6","Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5104,"Clc1cc(Cl)cc(c1)c2cc(Cl)c(Cl)cc2Cl","68194-12-7","Clc1cc(Cl)cc(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5105,"Clc1ccc(Cl)c(c1)c2c(Cl)cc(Cl)c(Cl)c2Cl","68194-14-9","Clc1ccc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5106,"Clc1cc(c(Cl)c(Cl)c1Cl)c2c(Cl)cccc2Cl","68194-15-0","Clc1cc(-c2c(Cl)cccc2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(cccc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5107,"Clc1cc(Cl)c(Cl)c(c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","68194-17-2","Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[5108,null,"68228-18-2",{"$nulls":7},""]
[5109,"COc1ccc(NC(=N)Nc2ccc(OC)cc2)cc1","68339-75-3","COc1ccc(NC(=N)Nc2ccc(OC)cc2)cc1","COc1ccc(cc1)NC(=N)Nc2ccc(cc2)OC",{"$nulls":4},271.13207678400045,"?"]
[5110,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2ccc(F)c(Oc3ccccc3)c2","68359-37-5","CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(c(cc2)F)Oc3ccccc3)C",{"$nulls":4},433.0647770160005,"?"]
[5111,"CC[S](=O)(=O)Oc1ccc2OCC(C)(C)c2c1","68505-69-1","CCS(=O)(=O)Oc1ccc2c(c1)C(C)(C)CO2","CCS(=O)(=O)Oc1cc2c(cc1)OCC2(C)C",{"$nulls":4},256.07692999200003,"?"]
[5112,null,"68648-87-3",{"$nulls":7},""]
[5113,"CC(=O)NC(=O)COC(=O)c1ccccc1","68659-48-3","CC(=O)NC(=O)COC(=O)c1ccccc1","CC(=O)NC(=O)COC(=O)c1ccccc1",{"$nulls":4},221.068807832,"?"]
[5114,"CCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n2ccnc2","68694-11-1","CCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n1ccnc1","CCCOCC(=Nc1c(cc(cc1)Cl)C(F)(F)F)n2cncc2",{"$nulls":4},345.08557444000047,"?"]
[5115,null,"68914-97-6",{"$nulls":7},""]
[5116,null,"69079-96-5",{"$nulls":7},""]
[5117,"CC(C)N1C(=O)N(CSC1=NC(C)(C)C)c2ccccc2","69327-76-0","CC(C)N1C(=O)N(c2ccccc2)CSC1=NC(C)(C)C","CC(C)N1C(SCN(C1=O)c2ccccc2)=NC(C)(C)C",{"$nulls":4},305.1561833560006,"?"]
[5118,"O=[S](=O)(Nc1ccccc1)c2ccccc2C#N","69360-16-3","N#Cc1ccccc1S(=O)(=O)Nc1ccccc1","N#Cc1c(cccc1)S(=O)(=O)Nc2ccccc2",{"$nulls":4},258.0462985600001,"?"]
[5119,"Nc1c(Cl)c(F)nc(OCC(O)=O)c1Cl","69377-81-7","Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl","Nc1c(c(nc(c1Cl)F)OCC(=O)O)Cl",{"$nulls":4},253.9661256,"?"]
[5120,"CC(C)C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2","69409-94-5","CC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC(C)C(Nc1c(cc(cc1)C(F)(F)F)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3",{"$nulls":4},502.1271049040006,"?"]
[5121,"OCC(Cl)(Cl)Br","69497-24-1","OCC(Cl)(Cl)Br","OCC(Cl)(Cl)Br",{"$nulls":4},191.874432176,"?"]
[5122,"Clc1cccc(c1)N(C2CCOC2=O)C(=O)C3CC3","69581-33-5","O=C1OCCC1N(C(=O)C1CC1)c1cccc(Cl)c1","O=C1C(CCO1)N(C(=O)C2CC2)c3cc(ccc3)Cl",{"$nulls":4},279.0662209880004,"?"]
[5123,"CC(CC(C)(C(O)=O)C(O)=O)C(O)=O","69646-36-2","CC(CC(C)(C(=O)O)C(=O)O)C(=O)O","CC(CC(C)(C(=O)O)C(=O)O)C(=O)O",{"$nulls":4},204.063388104,"?"]
[5124,"CC1CCCCC1(O)C(O)=O","69687-19-0","CC1CCCCC1(O)C(=O)O","CC1C(CCCC1)(O)C(=O)O",{"$nulls":4},158.094294308,"?"]
[5125,null,"69695-04-1",{"$nulls":7},""]
[5126,"OC(=O)c1occ(Cl)c1Cl","69727-40-8","O=C(O)c1occ(Cl)c1Cl","O=C(O)c1c(c(co1)Cl)Cl",{"$nulls":4},179.93809928399997,"?"]
[5127,"[O-][N+](=O)Nc1ccc(Cl)cc1Cl","69732-99-6","O=[N+]([O-])Nc1ccc(Cl)cc1Cl","O=[N+]([O-])Nc1c(cc(cc1)Cl)Cl",{"$nulls":4},205.964982728,"?"]
[5128,"Clc1cc(Cl)c(Cl)c(c2cc(Cl)c(Cl)c(Cl)c2)c1Cl","69782-91-8","Clc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[5129,"CC(Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1)C(O)=O","69806-34-4","CC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O","CC(Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl)C(=O)O",{"$nulls":4},361.03287017200023,"?"]
[5130,"COC(=O)C(C)Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1","69806-40-2","COC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl",{"$nulls":4},375.0485202360004,"?"]
[5131,null,"69806-50-4",{"$nulls":7},""]
[5132,null,"69969-22-8",{"$nulls":7},""]
[5133,null,"69969-62-6",{"$nulls":7},""]
[5134,"CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(OC(F)F)cc3","70124-77-5","CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)F",{"$nulls":4},451.1595146560006,"?"]
[5135,"CCCCCCCCOC(=O)c1cccnc1","70136-02-6","CCCCCCCCOC(=O)c1cccnc1","CCCCCCCCOC(=O)c1cnccc1",{"$nulls":4},235.157228912,"?"]
[5136,"CC(=O)N[CH](CSc1ccccc1Cl)C(O)=O","70278-03-4","CC(=O)NC(CSc1ccccc1Cl)C(=O)O","CC(=O)NC(CSc1c(cccc1)Cl)C(=O)O",{"$nulls":4},273.0226419240003,"?"]
[5137,"Clc1ccc(Cl)c(c1Cl)c2ccccc2Cl","70362-45-7","Clc1ccccc1-c1c(Cl)ccc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5138,"Clc1cc(Cl)c(Cl)c(c1)c2ccccc2Cl","70362-46-8","Clc1cc(Cl)c(Cl)c(-c2ccccc2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(cccc2)Cl",{"$nulls":4},289.92236091200016,"?"]
[5139,"Clc1ccccc1c2cc(Cl)c(Cl)cc2Cl","70362-47-9","Clc1cc(Cl)c(-c2ccccc2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(cccc2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5140,"Clc1ccc(Cl)c(c1)c2ccc(Cl)c(Cl)c2","70362-48-0","Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5141,null,"70404-40-9",{"$nulls":7},""]
[5142,"Clc1ccc(Cl)c(c1)c2cc(Cl)c(Cl)c(Cl)c2","70424-70-3","Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5143,"[H+].[H+].[Cl-].[Cl-].OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12","70476-82-3","O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21","O=C1c2c(C(c3c1c(O)ccc3O)=O)c(NCCNCCO)ccc2NCCNCCO","[Cl-]","[Cl-]","[H+]","[H+]",516.1542400400007,"?"]
[5144,"CCSC(=S)NC(C)C(O)=O","70561-60-3","CCSC(=S)NC(C)C(=O)O","CCSC(=S)NC(C)C(=O)O",{"$nulls":4},193.023120592,"?"]
[5145,null,"70585-36-3",{"$nulls":7},""]
[5146,null,"70630-17-0",{"$nulls":7},""]
[5147,null,"70772-73-5",{"$nulls":7},""]
[5148,null,"71119-13-6",{"$nulls":7},""]
[5149,null,"71119-16-9",{"$nulls":7},""]
[5150,null,"71119-19-2",{"$nulls":7},""]
[5151,null,"71119-21-6",{"$nulls":7},""]
[5152,null,"71119-24-9",{"$nulls":7},""]
[5153,null,"71119-25-0",{"$nulls":7},""]
[5154,null,"71119-32-9",{"$nulls":7},""]
[5155,null,"71119-34-1",{"$nulls":7},""]
[5156,null,"71119-36-3",{"$nulls":7},""]
[5157,null,"71119-38-5",{"$nulls":7},""]
[5158,null,"71119-39-6",{"$nulls":7},""]
[5159,null,"71138-72-2",{"$nulls":7},""]
[5160,"CCC(Cl)(CC)C(N)=O","71203-44-6","CCC(Cl)(CC)C(N)=O","CCC(Cl)(CC)C(N)=O",{"$nulls":4},149.060741684,"?"]
[5161,"CCOC(=O)C(C)Oc1ccc(Oc2oc3cc(Cl)ccc3n2)cc1","71283-80-2","CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",{"$nulls":4},361.07170029200046,"?"]
[5162,"CCCCCCN1CC(CC1=O)C(=O)OC","71548-53-3","CCCCCCN1CC(C(=O)OC)CC1=O","CCCCCCN1C(CC(C1)C(=O)OC)=O",{"$nulls":4},227.152143532,"?"]
[5163,"Cn1nc(C)c(C(=O)c2ccc(Cl)cc2Cl)c1OCC(=O)c3ccccc3","71561-11-0","Cc1nn(C)c(OCC(=O)c2ccccc2)c1C(=O)c1ccc(Cl)cc1Cl","Cc1c(c(n(n1)C)OCC(=O)c2ccccc2)C(=O)c3c(cc(cc3)Cl)Cl",{"$nulls":4},402.05379773200036,"?"]
[5164,"COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(C)cccc2C","71626-11-4","COC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C","COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(cccc2C)C",{"$nulls":4},325.16779359600065,"?"]
[5165,null,"71697-59-1",{"$nulls":7},""]
[5166,null,"71720-65-5",{"$nulls":7},""]
[5167,null,"71720-66-6",{"$nulls":7},""]
[5168,"NC(=O)C(=NO)C(N)=O","71721-66-9","NC(=O)C(=NO)C(N)=O","NC(=O)C(=NO)C(N)=O",{"$nulls":4},131.03309102,"?"]
[5169,"OC(=O)C(Br)=C(Br)Br","71815-46-8","O=C(O)C(Br)=C(Br)Br","O=C(O)C(Br)=C(Br)Br",{"$nulls":4},305.75266557200007,"?"]
[5170,"OC(=O)C(Br)=C(Br)I","71815-47-9","O=C(O)C(Br)=C(Br)I","O=C(O)C(Br)=C(Br)I",{"$nulls":4},353.73880147200003,"?"]
[5171,"CC[S](=O)(=O)N[S](=O)(=O)CC","71954-28-4","CCS(=O)(=O)NS(=O)(=O)CC","CCS(=O)(=O)NS(=O)(=O)CC",{"$nulls":4},201.012949832,"?"]
[5172,"C[S](=O)(=O)NC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O","72178-02-0","CS(=O)(=O)NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CS(=O)(=O)NC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",{"$nulls":4},437.99001938000026,"?"]
[5173,"CCOC(=O)C1(C)OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2","72391-46-9","CCOC(=O)C1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",{"$nulls":4},331.0014278120003,"?"]
[5174,"[O-][n+]1nc(nc2ccc(Cl)cc12)n3ccnc3","72459-58-6","[O-][n+]1nc(-n2ccnc2)nc2ccc(Cl)cc21","[O-][n+]1c2c(nc(n1)-n3cncc3)ccc(Cl)c2",{"$nulls":4},247.026087492,"?"]
[5175,"CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","72490-01-8","CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2",{"$nulls":4},301.1314080880005,"?"]
[5176,null,"72828-64-9",{"$nulls":7},""]
[5177,"FC(F)(F)c1nc(Cl)sc1C(=O)OCc2ccccc2","72850-64-7","O=C(OCc1ccccc1)c1sc(Cl)nc1C(F)(F)F","O=C(OCc1ccccc1)c2c(nc(s2)Cl)C(F)(F)F",{"$nulls":4},320.9838118040002,"?"]
[5178,null,"72869-86-4",{"$nulls":7},""]
[5179,"CC=Cc1ccc(O)c(O)c1","72898-29-4","CC=Cc1ccc(O)c(O)c1","CC=Cc1cc(c(cc1)O)O",{"$nulls":4},150.06807956,"?"]
[5180,"CC(C)=CC1C(C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C","72963-72-5","C#CCN1CC(=O)N(COC(=O)C2C(C=C(C)C)C2(C)C)C1=O","C#CCN1C(N(C(C1)=O)COC(=O)C2C(C2C=C(C)C)(C)C)=O",{"$nulls":4},318.1579571840006,"?"]
[5181,"CN(C(=O)COc1sc2ccccc2n1)c3ccccc3","73250-68-7","CN(C(=O)COc1nc2ccccc2s1)c1ccccc1","CN(C(=O)COc1sc2c(n1)cccc2)c3ccccc3",{"$nulls":4},298.0775986880004,"?"]
[5182,"Clc1cccc(c1)c2cc(Cl)c(Cl)cc2Cl","73575-53-8","Clc1cccc(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(ccc1)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5183,"Clc1ccccc1c2c(Cl)c(Cl)cc(Cl)c2Cl","73575-56-1","Clc1ccccc1-c1c(Cl)c(Cl)cc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5184,"Clc1ccc(c(Cl)c1Cl)c2c(Cl)cccc2Cl","73575-57-2","Clc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(cccc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5185,"CCC1CCC2(CCC(CC)O2)O1","73727-45-4","CCC1CCC2(CCC(CC)O2)O1","CCC1OC2(CC1)OC(CC2)CC",{"$nulls":4},184.14632988,"?"]
[5186,null,"73747-55-4",{"$nulls":7},""]
[5187,"Cc1cc(C)nc(n1)C(N)=O","73937-25-4","Cc1cc(C)nc(C(N)=O)n1","Cc1nc(nc(c1)C)C(N)=O",{"$nulls":4},151.074561908,"?"]
[5188,"Fc1ccc(cc1)C(=O)C2CCN(CC2)CCN3C(=O)Nc4ccccc4C3=O","74050-98-9","O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1","O=C(c1ccc(cc1)F)C2CCN(CC2)CCn3c(c4c([nH]c3=O)cccc4)=O",{"$nulls":4},395.1645197840006,"?"]
[5189,null,"74059-43-1",{"$nulls":7},""]
[5190,"Nc1c(Cl)c(Oc2ccccc2)ccc1[N+]([O-])=O","74070-46-5","Nc1c([N+](=O)[O-])ccc(Oc2ccccc2)c1Cl","Nc1c(c(ccc1[N+](=O)[O-])Oc2ccccc2)Cl",{"$nulls":4},264.0301698280002,"?"]
[5191,"CCOc1ccc(NC(=O)NN)cc1","74099-07-3","CCOc1ccc(NC(=O)NN)cc1","CCOc1ccc(cc1)NC(=O)NN",{"$nulls":4},195.100776656,"?"]
[5192,"Clc1ccccc1c2nnc(nn2)c3ccccc3Cl","74115-24-5","Clc1ccccc1-c1nnc(-c2ccccc2Cl)nn1","Clc1c(cccc1)-c2nnc(nn2)-c3c(cccc3)Cl",{"$nulls":4},302.0126016160002,"?"]
[5193,"COC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(C)cc(C)n2","74222-97-2","COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)C)C",{"$nulls":4},364.0841406120005,"?"]
[5194,"Clc1cccc(c1)c2ccc(Cl)c(Cl)c2Cl","74338-24-2","Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1","Clc1cc(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5195,"Clc1ccc(cc1)c2cc(Cl)cc(Cl)c2Cl","74472-34-7","Clc1ccc(-c2cc(Cl)cc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(cc(c2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5196,"Clc1cccc(c1)c2c(Cl)c(Cl)cc(Cl)c2Cl","74472-36-9","Clc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5197,"Clc1ccc(cc1)c2cc(Cl)c(Cl)c(Cl)c2Cl","74472-37-0","Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5198,"Clc1ccc(cc1)c2c(Cl)cc(Cl)c(Cl)c2Cl","74472-38-1","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5199,"Clc1ccc(cc1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl","74472-42-7","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5200,"Clc1ccc(cc1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl","74472-44-9","Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5201,"Clc1ccc(Cl)c(c2cc(Cl)c(Cl)c(Cl)c2)c1Cl","74472-45-0","Clc1cc(-c2c(Cl)ccc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5202,"Clc1cc(Cl)cc(c1)c2c(Cl)c(Cl)cc(Cl)c2Cl","74472-46-1","Clc1cc(Cl)cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5203,"Clc1ccc(c(Cl)c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","74472-47-2","Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[5204,"Clc1cc(Cl)c(c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)c1Cl","74472-50-7","Clc1cc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[5205,"Clc1cc(Cl)cc(c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","74472-51-8","Clc1cc(Cl)cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[5206,"Clc1cc(Cl)c(c(Cl)c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","74472-52-9","Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[5207,"Clc1cc(cc(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","74472-53-0","Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[5208,null,"74487-85-7",{"$nulls":7},""]
[5209,"Brc1ccc(Br)c(C=O)c1","74553-29-0","O=Cc1cc(Br)ccc1Br","O=Cc1c(ccc(c1)Br)Br",{"$nulls":4},261.8628889480001,"?"]
[5210,"O[S](=O)(=O)C(Cl)[S](O)(=O)=O","74692-14-1","O=S(=O)(O)C(Cl)S(=O)(=O)O","O=S(=O)(O)C(Cl)S(=O)(=O)O",{"$nulls":4},209.905957496,"?"]
[5211,null,"74708-88-6",{"$nulls":7},""]
[5212,"CC(C)(C)C(Br)C(=O)NC(C)(C)c1ccccc1","74712-19-9","CC(C)(NC(=O)C(Br)C(C)(C)C)c1ccccc1","CC(C)(NC(=O)C(Br)C(C)(C)C)c1ccccc1",{"$nulls":4},311.08847642400065,"?"]
[5213,"Clc1cccc(c1Cl)c2c[nH]cc2C#N","74738-17-3","N#Cc1c[nH]cc1-c1cccc(Cl)c1Cl","N#Cc1c(c[nH]c1)-c2c(c(ccc2)Cl)Cl",{"$nulls":4},235.990803552,"?"]
[5214,null,"74778-22-6",{"$nulls":7},""]
[5215,"N#CC(=NOCC1OCCO1)c2ccccc2","74782-23-3","N#CC(=NOCC1OCCO1)c1ccccc1","N#CC(=NOCC1OCCO1)c2ccccc2",{"$nulls":4},232.084792244,"?"]
[5216,null,"75736-33-3",{"$nulls":7},""]
[5217,"CCOC(=O)[CH](CCc1ccccc1)N[CH](C)C(=O)N2CCC[CH]2C(O)=O","75847-73-3","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C(=O)O","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C(CCC2)C(=O)O",{"$nulls":4},376.19982199600076,"?"]
[5218,null,"75889-62-2",{"$nulls":7},""]
[5219,"CCN1CC(=O)N=C1N","76146-27-5","CCN1CC(=O)N=C1N","CCN1C(=NC(C1)=O)N",{"$nulls":4},127.07456190799999,"?"]
[5220,null,"76193-99-2",{"$nulls":7},""]
[5221,"O=C(NOC(=O)c1occc1)c2occc2","76199-02-5","O=C(NOC(=O)c1ccco1)c1ccco1","O=C(NOC(=O)c1occc1)c2occc2",{"$nulls":4},221.032422324,"?"]
[5222,"OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc2cccc(Cl)c2Cl","76280-91-6","O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1cccc(Cl)c1Cl","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)Nc2c(c(ccc2)Cl)Cl",{"$nulls":4},444.84005910000013,"?"]
[5223,"O[S](=O)(=O)C(Cl)([S](O)(=O)=O)[S](O)(=O)=O","76371-36-3","O=S(=O)(O)C(Cl)(S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)C(Cl)(S(=O)(=O)O)S(=O)(=O)O",{"$nulls":4},289.86277235600005,"?"]
[5224,"CCOC(=O)[CH](C)NC(=O)CCl","76385-53-0","CCOC(=O)C(C)NC(=O)CCl","CCOC(=O)C(C)NC(=O)CCl",{"$nulls":4},193.050570924,"?"]
[5225,null,"76432-30-9",{"$nulls":7},""]
[5226,null,"76432-33-2",{"$nulls":7},""]
[5227,null,"76432-35-4",{"$nulls":7},""]
[5228,"CC(Oc1ccccc1Cl)C(O)=O","76466-16-5","CC(Oc1ccccc1Cl)C(=O)O","CC(Oc1c(cccc1)Cl)C(=O)O",{"$nulls":4},200.024021828,"?"]
[5229,"CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(O)=O","76578-12-6","CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)O",{"$nulls":4},344.0563845760003,"?"]
[5230,"CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","76578-14-8","CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",{"$nulls":4},372.08768470400054,"?"]
[5231,null,"76674-21-0",{"$nulls":7},""]
[5232,"CC(C)(C)[CH](O)C(Cc1ccc(Cl)cc1)n2cncn2.CC(C)(C)[CH](O)C(Cc3ccc(Cl)cc3)n4cncn4","76738-62-0","CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n2cncn2",{"$nulls":3},586.2589798800012,"?"]
[5233,"Clc1cccc(c2cc(Cl)c(Cl)c(Cl)c2)c1Cl","76842-07-4","Clc1cc(-c2cccc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(ccc2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5234,null,"77044-59-8",{"$nulls":7},""]
[5235,"[NH4+].C[P](O)(=O)CCC(N)C([O-])=O","77182-82-2","CP(=O)(O)CCC(N)C(=O)[O-]","CP(=O)(O)CCC(N)C(=O)O","[NH4+]",{"$nulls":3},198.07694358999998,"Structure has been neutralized"]
[5236,null,"77186-02-8",{"$nulls":7},""]
[5237,"CC(C)C[CH](N)C(=O)N[CH](C)C(=O)NCC(O)=O","77214-70-1","CC(C)CC(N)C(=O)NC(C)C(=O)NCC(=O)O","CC(C)CC(N)C(=O)NC(C)C(=O)NCC(=O)O",{"$nulls":4},259.1532061520001,"?"]
[5238,"CCOC(=O)N(C)CC","77333-18-7","CCOC(=O)N(C)CC","CCOC(=O)N(C)CC",{"$nulls":4},131.094628656,"?"]
[5239,"CCCS[P](=O)(OCC)Oc1cnn(c1)c2ccc(Cl)cc2","77458-01-6","CCCSP(=O)(OCC)Oc1cnn(-c2ccc(Cl)cc2)c1","CCCSP(=O)(OCC)Oc1cn(nc1)-c2ccc(cc2)Cl",{"$nulls":4},360.04642774600046,"?"]
[5240,"CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O","77501-63-4","CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOC(=O)C(C)OC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",{"$nulls":4},461.04891416000044,"?"]
[5241,null,"77501-90-7",{"$nulls":7},""]
[5242,"CCOC(CC(C)O)OCC","77533-80-3","CCOC(CC(C)O)OCC","CCOC(CC(C)O)OCC",{"$nulls":4},162.125594436,"?"]
[5243,"NN=C1N=CNc2nccnc12","77632-11-2","NN=c1nc[nH]c2nccnc12","NN=c1c2c([nH]cn1)nccn2",{"$nulls":4},162.06539419199999,"?"]
[5244,"CC(CCCCCCCCC(O)=O)CC(O)=O","77633-51-3","CC(CCCCCCCCC(=O)O)CC(=O)O","CC(CCCCCCCCC(=O)O)CC(=O)O",{"$nulls":4},244.167459248,"?"]
[5245,"COCC(=O)N(N1CCOC1=O)c2c(C)cccc2C","77732-09-3","COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O","COCC(=O)N(c1c(cccc1C)C)N2C(OCC2)=O",{"$nulls":4},278.1266570560005,"?"]
[5246,null,"78002-37-6",{"$nulls":7},""]
[5247,"CCCCCCNC(=O)c1cccnc1","78114-56-4","CCCCCCNC(=O)c1cccnc1","CCCCCCNC(=O)c1cnccc1",{"$nulls":4},206.141913196,"?"]
[5248,null,"78183-37-6",{"$nulls":7},""]
[5249,"C[CH]1C(SC(=O)N1C(=O)NC2CCCCC2)c3ccc(Cl)cc3","78587-05-0","CC1C(c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCCC1","CC1N(C(SC1c2ccc(cc2)Cl)=O)C(=O)NC3CCCCC3",{"$nulls":4},352.1012265920006,"?"]
[5250,"COc1ccc(C(O)=O)c(c1OC)[N+]([O-])=O","79025-28-8","COc1ccc(C(=O)O)c([N+](=O)[O-])c1OC","COc1c(c(c(cc1)C(=O)O)[N+](=O)[O-])OC",{"$nulls":4},227.042987008,"?"]
[5251,"CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","79127-80-3","CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2",{"$nulls":4},301.1314080880005,"?"]
[5252,"CCCCOC(=O)[CH](C)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1","79241-46-6","CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1","CCCCOC(=O)C(C)Oc1ccc(cc1)Oc2ncc(cc2)C(F)(F)F",{"$nulls":4},383.1344427800006,"?"]
[5253,"COC(=O)c1sccc1[S](=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2","79277-27-3","COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1","COC(=O)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC",{"$nulls":4},387.03072513600046,"?"]
[5254,"Cc1c(F)c(F)c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)c(F)c1F","79538-32-2","Cc1c(F)c(F)c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)c(F)c1F","Cc1c(c(c(c(c1F)F)COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)F)F",{"$nulls":4},418.0570549080004,"?"]
[5255,null,"79540-50-4",{"$nulls":7},""]
[5256,"CCC(CC)C(=O)N(CC)CC","79868-38-5","CCC(CC)C(=O)N(CC)CC","CCC(CC)C(=O)N(CC)CC",{"$nulls":4},171.162314292,"?"]
[5257,"CCC(C)(C)C(=O)O[CH]1C[CH](C)C=C2C=C[CH](C)[CH](CC[CH]3C[CH](O)CC(=O)O3)[CH]12","79902-63-9","CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21","CCC(C)(C)C(=O)OC1C2C(=CC(C1)C)C=CC(C)C2CCC3OC(CC(C3)O)=O",{"$nulls":4},418.271924316001,"?"]
[5258,"CCCCC(O)(Cn1cncn1)c2ccc(Cl)cc2Cl","79983-71-4","CCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl","CCCCC(O)(Cn1ncnc1)c2c(cc(cc2)Cl)Cl",{"$nulls":4},313.07486752400047,"?"]
[5259,"CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C","80060-09-9","CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C","CC(C)c1c(c(cc(c1)Oc2ccccc2)C(C)C)NC(=S)NC(C)(C)C",{"$nulls":4},384.22353464400095,"?"]
[5260,"CCOc1ccc(cc1)C(C)(C)COCc2cccc(Oc3ccccc3)c2","80844-07-1","CCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1","CCOc1ccc(cc1)C(C)(C)COCc2cc(ccc2)Oc3ccccc3",{"$nulls":4},376.20384475600076,"?"]
[5261,"CC(C)C1(C)N=C(NC1=O)c2ncccc2C(O)=O","81334-34-1","CC(C)C1(C)N=C(c2ncccc2C(=O)O)NC1=O","CC(C)C1(C(NC(=N1)c2c(cccn2)C(=O)O)=O)C",{"$nulls":4},261.11134134000014,"?"]
[5262,"CC(C)C1(C)N=C(NC1=O)c2nc3ccccc3cc2C(O)=O","81335-37-7","CC(C)C1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O","CC(C)C1(C(NC(=N1)c2c(cc3c(n2)cccc3)C(=O)O)=O)C",{"$nulls":4},311.1269914040004,"?"]
[5263,"CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(c1)C(O)=O","81335-77-5","CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1","CCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O",{"$nulls":4},289.14264146800053,"?"]
[5264,null,"81405-85-8",{"$nulls":7},""]
[5265,"CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl","81406-37-3","CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl","CCCCCCC(C)OC(=O)COc1c(c(c(c(n1)F)Cl)N)Cl",{"$nulls":4},366.0913261120006,"?"]
[5266,"CCCCCCCCNC(=O)c1cccnc1","81475-34-5","CCCCCCCCNC(=O)c1cccnc1","CCCCCCCCNC(=O)c1cnccc1",{"$nulls":4},234.173213324,"?"]
[5267,"CCCCCCCCCNC(=O)c1cccnc1","81475-35-6","CCCCCCCCCNC(=O)c1cccnc1","CCCCCCCCCNC(=O)c1cnccc1",{"$nulls":4},248.188863388,"?"]
[5268,"CCCCCCCCCCNC(=O)c1cccnc1","81475-36-7","CCCCCCCCCCNC(=O)c1cccnc1","CCCCCCCCCCNC(=O)c1cnccc1",{"$nulls":4},262.2045134520002,"?"]
[5269,"CCCCCCCCCCCNC(=O)c1cccnc1","81475-37-8","CCCCCCCCCCCNC(=O)c1cccnc1","CCCCCCCCCCCNC(=O)c1cnccc1",{"$nulls":4},276.2201635160006,"?"]
[5270,"CCCCCCCCCCCCNC(=O)c1cccnc1","81475-38-9","CCCCCCCCCCCCNC(=O)c1cccnc1","CCCCCCCCCCCCNC(=O)c1cnccc1",{"$nulls":4},290.2358135800008,"?"]
[5271,"CC1(C)CON(Cc2ccccc2Cl)C1=O","81777-89-1","CC1(C)CON(Cc2ccccc2Cl)C1=O","CC1(C(N(OC1)Cc2c(cccc2)Cl)=O)C",{"$nulls":4},239.071306368,"?"]
[5272,"NC(=O)c1cccc(NC(=O)c2cccc(N)c2)c1","81882-67-9","NC(=O)c1cccc(NC(=O)c2cccc(N)c2)c1","NC(=O)c1cc(ccc1)NC(=O)c2cc(ccc2)N",{"$nulls":4},255.100776656,"?"]
[5273,"COc1nc(C)nc(NC(=O)N[S](=O)(=O)c2ccccc2OCCCl)n1","82097-50-5","COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1","COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c2c(cccc2)OCCCl",{"$nulls":4},401.0560672920005,"?"]
[5274,"CCOC(=O)C(C)Oc1ccc(Oc2oc3cc(Cl)ccc3n2)cc1","82110-72-3","CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",{"$nulls":4},361.07170029200046,"?"]
[5275,"ON=C1C=CC(=NO)c2ncccc12","82153-77-3","ON=C1C=CC(=NO)c2ncccc21","ON=C1c2c(C(C=C1)=NO)nccc2",{"$nulls":4},189.053826464,"?"]
[5276,null,"82200-72-4",{"$nulls":7},""]
[5277,"OC(c1ccccc1)c2cc(Cl)ccc2NC(=O)c3ccncc3","82211-24-3","O=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccncc1","O=C(Nc1c(cc(cc1)Cl)C(O)c2ccccc2)c3ccncc3",{"$nulls":4},338.0822054000004,"?"]
[5278,"NC(=O)C[CH](O)C(O)=O","82310-91-6","NC(=O)CC(O)C(=O)O","NC(=O)CC(O)C(=O)O",{"$nulls":4},133.037507704,"?"]
[5279,"CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1","82558-50-7","CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1","CCC(C)(CC)c1noc(c1)NC(=O)c2c(cccc2OC)OC",{"$nulls":4},332.1736072480007,"?"]
[5280,"CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12)C(C)C","82560-54-1","CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(C)C","CCOC(=O)CCN(SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C)C(C)C",{"$nulls":4},410.1875430600008,"?"]
[5281,"CCOC(C)CCO","82655-81-0","CCOC(C)CCO","CCOC(C)CCO",{"$nulls":4},118.099379688,"?"]
[5282,"Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1c3ccccc3","82657-04-3","Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1","Cc1c(cccc1COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)-c3ccccc3",{"$nulls":4},422.1260422840006,"?"]
[5283,"Cn1nc(C)c(C(=O)c2ccc(Cl)c(C)c2Cl)c1OCC(=O)c3ccc(C)cc3","82692-44-2","Cc1ccc(C(=O)COc2c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn2C)cc1","Cc1ccc(cc1)C(=O)COc2n(nc(c2C(=O)c3c(c(c(cc3)Cl)C)Cl)C)C",{"$nulls":4},430.0850978600005,"?"]
[5284,"O[S](=O)(=O)c1cscn1","82971-12-8","O=S(=O)(O)c1cscn1","O=S(=O)(O)c1ncsc1",{"$nulls":4},164.955434956,"?"]
[5285,null,"83055-99-6",{"$nulls":7},""]
[5286,"Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(Cl)c(F)c(Cl)c2F","83121-18-0","O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(F)c(Cl)c1F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(c(c(c(c2)Cl)F)Cl)F",{"$nulls":4},379.97424567200017,"?"]
[5287,"CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC","83130-01-2","CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC","CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC",{"$nulls":4},399.1286482800007,"?"]
[5288,"Fc1ccc(NC(=O)c2cccnc2Oc3cccc(c3)C(F)(F)F)c(F)c1","83164-33-4","O=C(Nc1ccc(F)cc1F)c1cccnc1Oc1cccc(C(F)(F)F)c1","O=C(Nc1c(cc(cc1)F)F)c2c(nccc2)Oc3cc(ccc3)C(F)(F)F",{"$nulls":4},394.0740686920003,"?"]
[5289,"OC(=O)C(I)=C(Br)I","83442-56-2","O=C(O)C(I)=C(Br)I","O=C(O)C(I)=C(Br)I",{"$nulls":4},401.72493737200006,"?"]
[5290,null,"83572-31-0",{"$nulls":7},""]
[5291,"CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n2cncn2","83657-17-4","CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},291.11383987600055,"?"]
[5292,"CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n2cncn2","83657-22-1","CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},291.11383987600055,"?"]
[5293,"CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1Cl)n2cncn2","83657-24-3","CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1Cl)n1cncn1","CC(C)(C)C(O)C(=Cc1c(cc(cc1)Cl)Cl)n2ncnc2",{"$nulls":4},325.0748675240005,"?"]
[5294,"CCCC(=O)N(CS[P](=S)(OC)OC)c1ccccc1Cl","83733-82-8","CCCC(=O)N(CSP(=S)(OC)OC)c1ccccc1Cl","CCCC(=O)N(CSP(=S)(OC)OC)c1c(cccc1)Cl",{"$nulls":4},367.02324977800055,"?"]
[5295,"OC(=O)c1ccc(c2cccnc12)[N+]([O-])=O","83848-59-3","O=C(O)c1ccc([N+](=O)[O-])c2cccnc12","O=C(O)c1c2c(c(cc1)[N+](=O)[O-])cccn2",{"$nulls":4},218.032756672,"?"]
[5296,"O[S](=O)(=O)c1ccc2oc3ccccc3c2c1","83863-63-2","O=S(=O)(O)c1ccc2oc3ccccc3c2c1","O=S(=O)(O)c1cc2c(cc1)oc3c2cccc3",{"$nulls":4},248.014329736,"?"]
[5297,"O.O.NCCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2CCC[CH]2C(O)=O","83915-83-7","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N2C(CCC2)C(=O)O","O","O",null,null,441.2475004600008,"?"]
[5298,"CCOC(=O)C1(C)OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2","84332-86-5","CCOC(=O)C1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",{"$nulls":4},331.0014278120003,"?"]
[5299,"Nc1ncc2ncn(COCCO)c2n1","84408-37-7","Nc1ncc2ncn(COCCO)c2n1","Nc1nc2c(cn1)ncn2COCCO",{"$nulls":4},209.091274592,"?"]
[5300,"CC(Oc1ccc(Cl)c(C)c1Cl)C(=O)Nc2ccccc2","84496-56-0","Cc1c(Cl)ccc(OC(C)C(=O)Nc2ccccc2)c1Cl","Cc1c(c(ccc1Cl)OC(C)C(=O)Nc2ccccc2)Cl",{"$nulls":4},323.04798408000045,"?"]
[5301,"CCCCCS[S](=O)CCCCC","84549-06-4","CCCCCSS(=O)CCCCC","CCCCCSS(=O)CCCCC",{"$nulls":4},222.111207324,"?"]
[5302,"COCCCCC=O","84629-00-5","COCCCCC=O","COCCCCC=O",{"$nulls":4},116.083729624,"?"]
[5303,null,"84659-98-3",{"$nulls":7},""]
[5304,"CCC(O)=O.OCc1ccc(Cl)cc1Cl","85262-94-8","OCc1ccc(Cl)cc1Cl","OCc1c(cc(cc1)Cl)Cl","CCC(O)=O",{"$nulls":3},250.016349604,"?"]
[5305,"C[Si](Cn1cncn1)(c2ccc(F)cc2)c3ccc(F)cc3","85509-19-9","C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1","C[Si](Cn1ncnc1)(c2ccc(cc2)F)c3ccc(cc3)F",{"$nulls":4},315.1003304500004,"?"]
[5306,null,"85576-52-9",{"$nulls":7},""]
[5307,"OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O","85721-33-1","O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O","O=C(O)c1c(c2c(n(c1)C3CC3)cc(N4CCNCC4)c(F)c2)=O",{"$nulls":4},331.13321965600045,"?"]
[5308,"CCCCCCCCCC(=O)CC(=O)C(O)=O","85763-15-1","CCCCCCCCCC(=O)CC(=O)C(=O)O","CCCCCCCCCC(=O)CC(=O)C(=O)O",{"$nulls":4},242.151809184,"?"]
[5309,"CCN(C(C)C(C)C)C(=O)SCc1ccccc1","85785-20-2","CCN(C(=O)SCc1ccccc1)C(C)C(C)C","CCN(C(=O)SCc1ccccc1)C(C)C(C)C",{"$nulls":4},265.1500353560003,"?"]
[5310,"COC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2","86209-51-0","COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC(F)F)OC(F)F",{"$nulls":4},468.03628260400035,"?"]
[5311,"FC(F)C(F)(F)Oc1c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl","86479-06-3","O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)F)c(Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(c(c2)Cl)OC(F)(F)C(F)F)Cl",{"$nulls":4},459.9816167960002,"?"]
[5312,"Clc1ccc(CSC(Cn2cncn2)=Nc3ccc(Cl)cc3Cl)cc1","86598-92-7","Clc1ccc(CSC(Cn2cncn2)=Nc2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)CSC(Cn2ncnc2)=Nc3c(cc(cc3)Cl)Cl",{"$nulls":4},409.9926504560003,"?"]
[5313,"CCc1cccc(C)c1N(COC(C)C)C(=O)CCl","86763-47-5","CCc1cccc(C)c1N(COC(C)C)C(=O)CCl","CCc1c(c(ccc1)C)N(COC(C)C)C(=O)CCl",{"$nulls":4},283.1339066240006,"?"]
[5314,"Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)c(Oc3ncc(cc3Cl)C(F)(F)F)c2","86811-58-7","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)Cl)Oc3c(cc(cn3)C(F)(F)F)Cl",{"$nulls":4},505.0019376400003,"?"]
[5315,null,"87052-64-0",{"$nulls":7},""]
[5316,null,"87130-20-9",{"$nulls":7},""]
[5317,"CCOCCOC(=O)C(C)Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1","87237-48-7","CCOCCOC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1","CCOCCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl",{"$nulls":4},433.09038504800054,"?"]
[5318,"CCc1cccc(CC)c1N(COCC=CC)C(=O)CCl","87310-56-3","CC=CCOCN(C(=O)CCl)c1c(CC)cccc1CC","CC=CCOCN(C(=O)CCl)c1c(cccc1CC)CC",{"$nulls":4},309.14955668800064,"?"]
[5319,"CCCCCOC(=O)COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl","87546-18-7","CCCCCOC(=O)COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl","CCCCCOC(=O)COc1c(cc(c(c1)N2C(C3=C(C2=O)CCCC3)=O)F)Cl",{"$nulls":4},423.1248787360006,"?"]
[5320,"COCC(C)N(C(=O)CCl)c1c(C)scc1C","87674-68-8","COCC(C)N(C(=O)CCl)c1c(C)csc1C","COCC(C)N(C(=O)CCl)c1c(scc1C)C",{"$nulls":4},275.0746774960005,"?"]
[5321,"CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N3CCCO3","87757-18-4","CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N1CCCO1","CC(Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl)C(=O)N3OCCC3",{"$nulls":4},382.04871235200045,"?"]
[5322,"CC(C)C12CCC(C)(O1)C(C2)OCc3ccccc3C","87818-31-3","Cc1ccccc1COC1CC2(C(C)C)CCC1(C)O2","Cc1c(cccc1)COC2C3(CCC(C2)(O3)C(C)C)C",{"$nulls":4},274.1932800720005,"?"]
[5323,null,"87970-03-4",{"$nulls":7},""]
[5324,"CCCC(=O)O[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3c(N)ncnc23","87970-05-6","CCCC(=O)OC1C(O)C(CO)OC1n1cnc2c(N)ncnc21","CCCC(=O)OC1C(OC(C1O)CO)n2c3c(nc2)c(N)ncn3",{"$nulls":4},337.1386187080006,"?"]
[5325,null,"87984-85-8",{"$nulls":7},""]
[5326,"CC(=C)C(CC(O)=O)C(O)=O","87989-21-7","C=C(C)C(CC(=O)O)C(=O)O","C=C(C)C(CC(=O)O)C(=O)O",{"$nulls":4},158.0579088,"?"]
[5327,null,"88333-02-2",{"$nulls":7},""]
[5328,"FC(F)(F)C(=NOCC1OCCO1)c2ccc(Cl)cc2","88485-37-4","FC(F)(F)C(=NOCC1OCCO1)c1ccc(Cl)cc1","FC(F)(F)C(=NOCC1OCCO1)c2ccc(cc2)Cl",{"$nulls":4},309.0379555520003,"?"]
[5329,"CCCCC(Cn1cncn1)(C#N)c2ccc(Cl)cc2","88671-89-0","CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1","CCCCC(C#N)(Cn1ncnc1)c2ccc(cc2)Cl",{"$nulls":4},288.11417422400046,"?"]
[5330,"COc1cccc(n1)N(C)C(=S)Oc2cccc(c2)C(C)(C)C","88678-67-5","COc1cccc(N(C)C(=S)Oc2cccc(C(C)(C)C)c2)n1","COc1nc(ccc1)N(C)C(=S)Oc2cc(ccc2)C(C)(C)C",{"$nulls":4},330.14019894400064,"?"]
[5331,"OC(=O)C(Br)=C(Cl)Br","88917-04-8","O=C(O)C(Br)=C(Cl)Br","O=C(O)C(Br)=C(Cl)Br",{"$nulls":4},261.80318115200004,"?"]
[5332,"OC(=O)C(Cl)=C(Br)Br","88917-05-9","O=C(O)C(Cl)=C(Br)Br","O=C(O)C(Cl)=C(Br)Br",{"$nulls":4},261.80318115200004,"?"]
[5333,null,"88917-22-0",{"$nulls":7},""]
[5334,"CC(O)C([N+]([O-])=O)[N+]([O-])=O","89167-84-0","CC(O)C([N+](=O)[O-])[N+](=O)[O-]","CC(O)C([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},150.027671292,"?"]
[5335,"Cc1cc(C)nc(NN=C(C)c2ccccc2C)n1","89269-64-7","CC(=NNc1nc(C)cc(C)n1)c1ccccc1C","CC(=NNc1nc(cc(n1)C)C)c2c(cccc2)C",{"$nulls":4},254.15314657599998,"?"]
[5336,"N[S](=O)(=O)c1ccc(O)nc1","89322-91-8","NS(=O)(=O)c1ccc(O)nc1","NS(=O)(=O)c1cnc(cc1)O",{"$nulls":4},174.009913052,"?"]
[5337,null,"89395-25-5",{"$nulls":7},""]
[5338,"CN1C(=O)N=CC2=C1NC(=O)N2","89418-24-6","Cn1c(=O)ncc2[nH]c(=O)[nH]c21","Cn1c2c(cnc1=O)[nH]c(=O)[nH]2",{"$nulls":4},166.049075432,"?"]
[5339,null,"89482-17-7",{"$nulls":7},""]
[5340,"C[CH](CCO)CCC=O","89794-65-0","CC(CCO)CCC=O","CC(CCO)CCC=O",{"$nulls":4},130.099379688,"?"]
[5341,"CN1C=C2N=CC=NC2=NC1=O","89795-86-8","Cn1cc2nccnc2nc1=O","Cn1c(nc2c(c1)nccn2)=O",{"$nulls":4},162.054160812,"?"]
[5342,"CCC(CC)COC(=O)N[S](N)(=O)=O","89851-12-7","CCC(CC)COC(=O)NS(N)(=O)=O","CCC(CC)COC(=O)NS(N)(=O)=O",{"$nulls":4},224.083077992,"?"]
[5343,"O=C1OCc2ccc(cc12)C#N","89877-62-3","N#Cc1ccc2c(c1)C(=O)OC2","N#Cc1cc2c(cc1)COC2=O",{"$nulls":4},159.0320284,"?"]
[5344,null,"89966-38-1",{"$nulls":7},""]
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[5346,"COc1c(N)c(C=O)ccc1O","89984-23-6","COc1c(O)ccc(C=O)c1N","COc1c(c(ccc1O)C=O)N",{"$nulls":4},167.058243148,"?"]
[5347,"COC(=O)c1ccc(cc1C([O-])=O)[N+]([O-])=O","90072-77-8","COC(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]","COC(=O)c1c(cc(cc1)[N+](=O)[O-])C(=O)O",{"$nulls":4},224.019511912,"Structure has been neutralized"]
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[5349,"CC(C)CCC(C)C(O)=O","90201-13-1","CC(C)CCC(C)C(=O)O","CC(C)CCC(C)C(=O)O",{"$nulls":4},144.115029752,"?"]
[5350,"OC(=O)CC[CH](NCCC#N)C(O)=O","90243-80-4","N#CCCNC(CCC(=O)O)C(=O)O","N#CCCNC(CCC(=O)O)C(=O)O",{"$nulls":4},200.079706864,"?"]
[5351,"CCCCOC(=O)N[S](N)(=O)=O","90324-88-2","CCCCOC(=O)NS(N)(=O)=O","CCCCOC(=O)NS(N)(=O)=O",{"$nulls":4},196.051777864,"?"]
[5352,null,"90414-69-0",{"$nulls":7},""]
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[5354,"CCCCCCC(O)C(O)C(O)=O","90677-53-5","CCCCCCC(O)C(O)C(=O)O","CCCCCCC(O)C(O)C(=O)O",{"$nulls":4},190.120509056,"?"]
[5355,"Cc1cnc2c(ccc(Cl)c2C(O)=O)c1","90717-03-6","Cc1cnc2c(C(=O)O)c(Cl)ccc2c1","Cc1cc2c(nc1)c(C(=O)O)c(Cl)cc2",{"$nulls":4},221.024356176,"?"]
[5356,"CCC(CC)(C(=O)NC)C(=O)NC","90728-91-9","CCC(CC)(C(=O)NC)C(=O)NC","CCC(CC)(C(=O)NC)C(=O)NC",{"$nulls":4},186.136827816,"?"]
[5357,"CC[CH](C)[CH](NCCC#N)C(O)=O","90770-17-5","CCC(C)C(NCCC#N)C(=O)O","CCC(C)C(NCCC#N)C(=O)O",{"$nulls":4},184.121177752,"?"]
[5358,"CCCCC(CC)COC(=O)N[S](N)(=O)=O","90796-83-1","CCCCC(CC)COC(=O)NS(N)(=O)=O","CCCCC(CC)COC(=O)NS(N)(=O)=O",{"$nulls":4},252.11437812,"?"]
[5359,null,"90841-50-2",{"$nulls":7},""]
[5360,"CCc1nc2cnc(O)nc2nc1CC","90870-76-1","CCc1nc2cnc(O)nc2nc1CC","CCc1c(nc2c(n1)cnc(O)n2)CC",{"$nulls":4},204.101111004,"?"]
[5361,"CC(C)(OC1CCCCC1)C(O)=O","91007-35-1","CC(C)(OC1CCCCC1)C(=O)O","CC(C)(OC1CCCCC1)C(=O)O",{"$nulls":4},186.125594436,"?"]
[5362,"COC(CC(O)=O)c1ccccc1","91061-49-3","COC(CC(=O)O)c1ccccc1","COC(CC(=O)O)c1ccccc1",{"$nulls":4},180.078644244,"?"]
[5363,"CC(Br)C(C)(Br)C(O)=O","91114-65-7","CC(Br)C(C)(Br)C(=O)O","CC(Br)C(C)(Br)C(=O)O",{"$nulls":4},257.88910369600006,"?"]
[5364,"CC(CC(O)=O)C(=O)Nc1ccccc1","91133-69-6","CC(CC(=O)O)C(=O)Nc1ccccc1","CC(CC(=O)O)C(=O)Nc1ccccc1",{"$nulls":4},207.089543276,"?"]
[5365,null,"91330-81-3",{"$nulls":7},""]
[5366,"CC(O)C(O)=O.CN(C)C(O)=S","91499-08-0","CN(C)C(O)=S","CN(C)C(O)=S","CC(O)C(O)=O",{"$nulls":3},195.056528896,"?"]
[5367,"[O-][N+](=O)C1C(=O)CC(CC1=O)c2ccccc2","91569-89-0","O=C1CC(c2ccccc2)CC(=O)C1[N+](=O)[O-]","O=C1C(C(CC(C1)c2ccccc2)=O)[N+](=O)[O-]",{"$nulls":4},233.068807832,"?"]
[5368,"OC(O)(C(=O)Nc1ccccc1)C(=O)Nc2ccccc2","91732-73-9","O=C(Nc1ccccc1)C(O)(O)C(=O)Nc1ccccc1","O=C(Nc1ccccc1)C(O)(O)C(=O)Nc2ccccc2",{"$nulls":4},286.0953569280004,"?"]
[5369,"CC=CCC1(C)C(=O)NC(=O)N(C)C1=O","91761-25-0","CC=CCC1(C)C(=O)NC(=O)N(C)C1=O","CC=CCC1(C(N(C(NC1=O)=O)C)=O)C",{"$nulls":4},210.100442308,"?"]
[5370,"CCOC(=O)C(O)C=C","91890-87-8","C=CC(O)C(=O)OCC","C=CC(O)C(=O)OCC",{"$nulls":4},130.06299418,"?"]
[5371,"CC1CCCC(O1)OC2CCCC(C)O2","92038-29-4","CC1CCCC(OC2CCCC(C)O2)O1","CC1OC(CCC1)OC2OC(CCC2)C",{"$nulls":4},214.156894564,"?"]
[5372,"CCCCNC(=N)N[S](=O)(=O)c1ccc(N)cc1","92059-15-9","CCCCNC(=N)NS(=O)(=O)c1ccc(N)cc1","CCCCNC(=N)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},270.1150468160004,"?"]
[5373,null,"92150-32-8",{"$nulls":7},""]
[5374,"CCCO[P](=O)(OC)OCCC","92347-84-7","CCCOP(=O)(OC)OCCC","CCCOP(=O)(OC)OCCC",{"$nulls":4},196.086445654,"?"]
[5375,null,"92371-84-1",{"$nulls":7},""]
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[5377,null,"92474-94-7",{"$nulls":7},""]
[5378,null,"92695-66-4",{"$nulls":7},""]
[5379,null,"92740-48-2",{"$nulls":7},""]
[5380,null,"92776-66-4",{"$nulls":7},""]
[5381,"O=C1NC(=O)C2=NC(=O)NC(=O)C2=N1","92876-74-9","O=C1N=C2C(=O)NC(=O)N=C2C(=O)N1","O=C1NC(C=2C(=N1)C(=O)NC(=O)N2)=O",{"$nulls":4},194.007604544,"?"]
[5382,"CCCCc1c2ccccc2cc3ccc4ccccc4c13","93037-15-1","CCCCc1c2ccccc2cc2ccc3ccccc3c12","CCCCc1c2c(cc3c1cccc3)ccc4c2cccc4",{"$nulls":4},284.15650064000056,"?"]
[5383,"CCC(Br)(Br)C(O)=O","93146-89-5","CCC(Br)(Br)C(=O)O","CCC(Br)(Br)C(=O)O",{"$nulls":4},243.873453632,"?"]
[5384,"O=C1NC(=O)C2=NC(=O)NC(=O)C2=N1","93506-59-3","O=C1N=C2C(=O)NC(=O)N=C2C(=O)N1","O=C1NC(C=2C(=N1)C(=O)NC(=O)N2)=O",{"$nulls":4},194.007604544,"?"]
[5385,"CCOC(=O)c1cnn(C)c1[S](=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2","93697-74-6","CCOC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCOC(=O)c1c(n(nc1)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",{"$nulls":4},414.0957679160005,"?"]
[5386,"OC(=O)CNC(=O)CN[S](=O)(=O)c1ccc2ccccc2c1","93886-70-5","O=C(O)CNC(=O)CNS(=O)(=O)c1ccc2ccccc2c1","O=C(O)CNC(=O)CNS(=O)(=O)c1cc2c(cc1)cccc2",{"$nulls":4},322.0623425480004,"?"]
[5387,"CC(C1CC1)C(O)(Cn2cncn2)c3ccc(Cl)cc3","94361-06-5","CC(C1CC1)C(O)(Cn1cncn1)c1ccc(Cl)cc1","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl",{"$nulls":4},291.1138398760005,"?"]
[5388,"CC(C1CC1)C(O)(Cn2cncn2)c3ccc(Cl)cc3","94361-07-6","CC(C1CC1)C(O)(Cn1cncn1)c1ccc(Cl)cc1","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl",{"$nulls":4},291.1138398760005,"?"]
[5389,null,"94591-19-2",{"$nulls":7},""]
[5390,"COCCOc1ccccc1[S](=O)(=O)NC(=O)Nc2nc(OC)nc(OC)n2","94593-91-6","COCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC)nc(OC)n1","COCCOc1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OC)OC",{"$nulls":4},413.10051894800057,"?"]
[5391,"N[S](=O)(=O)c1cccc(C(O)=O)c1C(O)=O","94617-43-3","NS(=O)(=O)c1cccc(C(=O)O)c1C(=O)O","NS(=O)(=O)c1c(c(ccc1)C(=O)O)C(=O)O",{"$nulls":4},244.999407944,"?"]
[5392,null,"94626-92-3",{"$nulls":7},""]
[5393,"CCO[P](=O)(SC(C)CC)SC(C)CC","95465-99-9","CCOP(=O)(SC(C)CC)SC(C)CC","CCOP(=O)(SC(C)CC)SC(C)CC",{"$nulls":4},270.0877086060004,"?"]
[5394,null,"95470-42-1",{"$nulls":7},""]
[5395,"OC(=O)COC1CCCC1","95832-60-3","O=C(O)COC1CCCC1","O=C(O)COC1CCCC1",{"$nulls":4},144.07864424399997,"?"]
[5396,null,"95948-65-5",{"$nulls":7},""]
[5397,"CCO[P](=S)(OC(C)C)Oc1cnc(nc1)C(C)(C)C","96182-53-5","CCOP(=S)(Oc1cnc(C(C)(C)C)nc1)OC(C)C","CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C",{"$nulls":4},318.1167002260006,"?"]
[5398,null,"96435-08-4",{"$nulls":7},""]
[5399,null,"96448-60-1",{"$nulls":7},""]
[5400,null,"96448-61-2",{"$nulls":7},""]
[5401,null,"96448-63-4",{"$nulls":7},""]
[5402,null,"96474-05-4",{"$nulls":7},""]
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[5404,"COc1ccsc1CN(C(=O)CCl)c2c(C)cccc2C","96491-05-3","COc1ccsc1CN(C(=O)CCl)c1c(C)cccc1C","COc1c(scc1)CN(C(=O)CCl)c2c(cccc2C)C",{"$nulls":4},323.0746774960005,"?"]
[5405,"CNC1=C(C(=O)C(O1)c2ccccc2)c3cccc(c3)C(F)(F)F","96525-23-4","CNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)O1","CNC=1OC(C(C1c2cc(ccc2)C(F)(F)F)=O)c3ccccc3",{"$nulls":4},333.0976633480004,"?"]
[5406,"CCCCCCCCCCCCCCNC(=O)C(C)O","96945-44-7","CCCCCCCCCCCCCCNC(=O)C(C)O","CCCCCCCCCCCCCCNC(=O)C(C)O",{"$nulls":4},285.26677936000084,"?"]
[5407,null,"97383-42-1",{"$nulls":7},""]
[5408,null,"97454-00-7",{"$nulls":7},""]
[5409,"CCOc1nc(NC)nc(NC(=O)N[S](=O)(=O)c2ccccc2C(=O)OC)n1","97780-06-8","CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1","CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC",{"$nulls":4},410.1008532960005,"?"]
[5410,"CC(=O)CC1=NCCS1","97855-56-6","CC(=O)CC1=NCCS1","CC(=O)CC=1SCCN1",{"$nulls":4},143.040484908,"?"]
[5411,"CSC(=O)c1c(CC(C)C)c(C(=O)SC)c(nc1C(F)F)C(F)(F)F","97886-45-8","CSC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C","CSC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C(=O)SC)CC(C)C",{"$nulls":4},401.0542618520004,"?"]
[5412,"COc1nsc(N)n1","98022-43-6","COc1nsc(N)n1","COc1nc(sn1)N",{"$nulls":4},131.01533278,"?"]
[5413,"CCOc1nsc(N)n1","98022-62-9","CCOc1nsc(N)n1","CCOc1nc(sn1)N",{"$nulls":4},145.030982844,"?"]
[5414,"CCS[Hg]CC","98025-96-8","CCS[Hg]CC","CCS[Hg]CC",{"$nulls":4},292.0209643200003,"?"]
[5415,"CC(=O)OCC(S)CS","98070-12-3","CC(=O)OCC(S)CS","CC(=O)OCC(S)CS",{"$nulls":4},166.01222156,"?"]
[5416,"O[S](=O)(=O)c1c(Br)c(Br)c(Br)c(Br)c1Br","98137-88-3","O=S(=O)(O)c1c(Br)c(Br)c(Br)c(Br)c1Br","O=S(=O)(O)c1c(c(c(c(c1Br)Br)Br)Br)Br",{"$nulls":4},547.5563253920001,"?"]
[5417,"Nc1ncnc(NCC=C)n1","98197-51-4","C=CCNc1ncnc(N)n1","C=CCNc1nc(ncn1)N",{"$nulls":4},151.08579528799999,"?"]
[5418,"Cn1cnc2N(C)C(=O)NCc12","98335-22-9","CN1C(=O)NCc2c1ncn2C","CN1c2c(CNC1=O)n(cn2)C",{"$nulls":4},166.08546094,"?"]
[5419,"CCCCC(=CC)C(N)=O","98552-24-0","CC=C(CCCC)C(N)=O","CC=C(CCCC)C(N)=O",{"$nulls":4},141.1153641,"?"]
[5420,"O=C(Nc1ncccn1)c2cnccn2","98590-07-9","O=C(Nc1ncccn1)c1cnccn1","O=C(Nc1ncccn1)c2nccnc2",{"$nulls":4},201.065059844,"?"]
[5421,"CC1COc2ccccc2N1C(=O)C(Cl)Cl","98730-04-2","CC1COc2ccccc2N1C(=O)C(Cl)Cl","CC1N(c2c(OC1)cccc2)C(=O)C(Cl)Cl",{"$nulls":4},259.01668395200005,"?"]
[5422,null,"98801-82-2",{"$nulls":7},""]
[5423,null,"98827-16-8",{"$nulls":7},""]
[5424,null,"98827-17-9",{"$nulls":7},""]
[5425,null,"98827-18-0",{"$nulls":7},""]
[5426,null,"98827-19-1",{"$nulls":7},""]
[5427,null,"98827-20-4",{"$nulls":7},""]
[5428,null,"98827-27-1",{"$nulls":7},""]
[5429,"CCCCCCCCCOC(=O)c1cccnc1","98841-58-8","CCCCCCCCCOC(=O)c1cccnc1","CCCCCCCCCOC(=O)c1cnccc1",{"$nulls":4},249.172878976,"?"]
[5430,null,"98846-64-1",{"$nulls":7},""]
[5431,null,"98846-65-2",{"$nulls":7},""]
[5432,null,"98846-66-3",{"$nulls":7},""]
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[5434,"Cc1ccn2nc(nc2n1)[S](=O)(=O)Nc3c(F)cccc3F","98967-40-9","Cc1ccn2nc(S(=O)(=O)Nc3c(F)cccc3F)nc2n1","Cc1nc2n(cc1)nc(S(=O)(=O)Nc3c(cccc3F)F)n2",{"$nulls":4},325.04450196800025,"?"]
[5435,"Cc1ccnc(NC(=O)c2cnccn2)n1","99057-45-1","Cc1ccnc(NC(=O)c2cnccn2)n1","Cc1nc(ncc1)NC(=O)c2nccnc2",{"$nulls":4},215.080709908,"?"]
[5436,null,"99105-77-8",{"$nulls":7},""]
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[5438,"CCC1OC(=O)c2cc(ccc12)[N+]([O-])=O","99185-21-4","CCC1OC(=O)c2cc([N+](=O)[O-])ccc21","CCC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2",{"$nulls":4},207.053157768,"?"]
[5439,"CC(O)C(C)C=O","99506-67-9","CC(O)C(C)C=O","CC(O)C(C)C=O",{"$nulls":4},102.06807956,"?"]
[5440,"Cc1ncnc2c(O)cccc12","99512-70-6","Cc1ncnc2c(O)cccc12","Cc1c2c(ncn1)c(O)ccc2",{"$nulls":4},160.063662876,"?"]
[5441,"CN1C(=O)C(=Nc2cncnc12)C","99584-31-3","Cc1nc2cncnc2n(C)c1=O","Cc1c(n(c2c(n1)cncn2)C)=O",{"$nulls":4},176.069810876,"?"]
[5442,"CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12","99607-70-2","CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12","CCCCCC(C)OC(=O)COc1c2c(c(cc1)Cl)cccn2",{"$nulls":4},335.1288212440007,"?"]
[5443,"NC(=O)C1CCCC(N1)C(N)=O","99669-83-7","NC(=O)C1CCCC(C(N)=O)N1","NC(=O)C1NC(CCC1)C(N)=O",{"$nulls":4},171.100776656,"?"]
[5444,"CCC(C)(C)C1CCC(=NO)C(C1)=NO","99991-56-7","CCC(C)(C)C1CCC(=NO)C(=NO)C1","CCC(C)(C)C1CC(C(CC1)=NO)=NO",{"$nulls":4},212.15247788,"?"]
[5445,null,"100053-24-5",{"$nulls":7},""]
[5446,"CCCc1ncnc2c(O)cccc12","100060-07-9","CCCc1ncnc2c(O)cccc12","CCCc1c2c(ncn1)c(O)ccc2",{"$nulls":4},188.094963004,"?"]
[5447,null,"100128-07-2",{"$nulls":7},""]
[5448,null,"100393-41-7",{"$nulls":7},""]
[5449,"CCCCCCCOC(=O)c1cccnc1","100618-60-8","CCCCCCCOC(=O)c1cccnc1","CCCCCCCOC(=O)c1cnccc1",{"$nulls":4},221.141578848,"?"]
[5450,"CCOC(=O)[CH](C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","100646-51-3","CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",{"$nulls":4},372.08768470400054,"?"]
[5451,"COC(=O)c1c(Cl)nn(C)c1[S](=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2","100784-20-1","COC(=O)c1c(Cl)nn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","COC(=O)c1c(n(nc1Cl)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",{"$nulls":4},434.0411455000004,"?"]
[5452,"CCOc1ccc(NC(C)=O)c2cccnc12","100795-24-2","CCOc1ccc(NC(C)=O)c2cccnc12","CCOc1c2c(c(cc1)NC(C)=O)cccn2",{"$nulls":4},230.105527688,"?"]
[5453,null,"100879-19-4",{"$nulls":7},""]
[5454,"CCCCO[P](=O)(OCCCC)OCCCCOCC","100888-67-3","CCCCOP(=O)(OCCCC)OCCCCOCC","CCCCOP(=O)(OCCCC)OCCCCOCC",{"$nulls":4},310.19091072200087,"?"]
[5455,"CCC([S](=O)(=O)CC)[S](=O)(=O)CC","100911-61-3","CCC(S(=O)(=O)CC)S(=O)(=O)CC","CCC(S(=O)(=O)CC)S(=O)(=O)CC",{"$nulls":4},228.049000992,"?"]
[5456,"CC1(C)[CH](C=CC(=O)OC(C(F)(F)F)C(F)(F)F)[CH]1C(=O)O[CH](C#N)c2cccc(Oc3ccccc3)c2","101007-06-1","CC1(C)C(C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},541.1323920920006,"?"]
[5457,null,"101116-23-8",{"$nulls":7},""]
[5458,"COC(=O)c1ccccc1[S](=O)(=O)NC(=O)N(C)c2nc(C)nc(OC)n2","101200-48-0","COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)N(C)c2nc(nc(n2)C)OC",{"$nulls":4},395.08995426400054,"?"]
[5459,null,"101205-02-1",{"$nulls":7},""]
[5460,"OC(=O)C(Cl)(Cl)CCCl","101256-97-7","O=C(O)C(Cl)(Cl)CCCl","O=C(O)C(Cl)(Cl)CCCl",{"$nulls":4},189.93551244,"?"]
[5461,null,"101433-80-1",{"$nulls":7},""]
[5462,null,"101443-32-7",{"$nulls":7},""]
[5463,"Fc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1NC(=O)NC(=O)c3c(F)cccc3F","101463-69-8","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(cc(cc2)Oc3c(cc(cc3)C(F)(F)F)Cl)F",{"$nulls":4},488.0362392120003,"?"]
[5464,null,"101586-90-7",{"$nulls":7},""]
[5465,"COC(=O)c1cc(ccc1C([O-])=O)[N+]([O-])=O","101714-14-1","COC(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]","COC(=O)c1c(ccc(c1)[N+](=O)[O-])C(=O)O",{"$nulls":4},224.019511912,"Structure has been neutralized"]
[5466,"OC(=O)n1cnc2NCNCc12","101774-91-8","O=C(O)n1cnc2c1CNCN2","O=C(O)n1c2c(nc1)NCNC2",{"$nulls":4},168.064725496,"?"]
[5467,"NCCCCCCNCCCCCCCCCCC(O)=O","101791-68-8","NCCCCCCNCCCCCCCCCCC(=O)O","NCCCCCCNCCCCCCCCCCC(=O)O",{"$nulls":4},300.277678392001,"?"]
[5468,"CCCCCCCCCCCCN1CC(CC1=O)C(=O)OC","101881-19-0","CCCCCCCCCCCCN1CC(C(=O)OC)CC1=O","CCCCCCCCCCCCN1C(CC(C1)C(=O)OC)=O",{"$nulls":4},311.24604391600093,"?"]
[5469,"CCC(N(Cc1occc1)C(=O)n2ccnc2)C(=O)OCCCC=C","101903-30-4","C=CCCCOC(=O)C(CC)N(Cc1ccco1)C(=O)n1ccnc1","C=CCCCOC(=O)C(CC)N(Cc1occc1)C(=O)n2cncc2",{"$nulls":4},345.1688562160006,"?"]
[5470,null,"101919-82-8",{"$nulls":7},""]
[5471,"CN1C(=O)C=Nc2cncnc12","102169-81-3","Cn1c(=O)cnc2cncnc21","Cn1c2c(ncc1=O)cncn2",{"$nulls":4},162.054160812,"?"]
[5472,"COc1ncc2nccnc2n1","102170-44-5","COc1ncc2nccnc2n1","COc1nc2c(cn1)nccn2",{"$nulls":4},162.054160812,"?"]
[5473,"CN1C(=O)N=Cc2nccnc12","102170-45-6","Cn1c(=O)ncc2nccnc21","Cn1c2c(cnc1=O)nccn2",{"$nulls":4},162.054160812,"?"]
[5474,"CCC(CCC(C)C)C(N)=O","102450-10-2","CCC(CCC(C)C)C(N)=O","CCC(CCC(C)C)C(N)=O",{"$nulls":4},157.146664228,"?"]
[5475,"CCCCC(=CC)C(=O)NC(N)=O","102613-33-2","CC=C(CCCC)C(=O)NC(N)=O","CC=C(CCCC)C(=O)NC(N)=O",{"$nulls":4},184.121177752,"?"]
[5476,"COC(C)C(C)Cl","102671-05-6","COC(C)C(C)Cl","COC(C)C(C)Cl",{"$nulls":4},122.049842652,"?"]
[5477,"COc1cc(Br)c2COC(=O)c2c1OC","102877-24-7","COc1cc(Br)c2c(c1OC)C(=O)OC2","COc1c(c2c(c(c1)Br)COC2=O)OC",{"$nulls":4},271.9684208680003,"?"]
[5478,"CCc1nc2ncnc(O)c2nc1CC","102943-71-5","CCc1nc2ncnc(O)c2nc1CC","CCc1c(nc2c(n1)ncnc2O)CC",{"$nulls":4},204.101111004,"?"]
[5479,"CCOC(=O)c1nn(c2ccc(Cl)cc2Cl)c(n1)C(Cl)(Cl)Cl","103112-35-2","CCOC(=O)c1nc(C(Cl)(Cl)Cl)n(-c2ccc(Cl)cc2Cl)n1","CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)-c2c(cc(cc2)Cl)Cl",{"$nulls":4},400.90591489600024,"?"]
[5480,"Fc1cc2OCC(=O)N(CC#C)c2cc1N3C(=O)C4=C(CCCC4)C3=O","103361-09-7","C#CCN1C(=O)COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc21","C#CCN1c2c(OCC1=O)cc(F)c(N3C(C4=C(C3=O)CCCC4)=O)c2",{"$nulls":4},354.1015851800004,"?"]
[5481,"OC(=O)CCCC(C(O)=O)(c1ccccc1)c2ccccc2","103387-44-6","O=C(O)CCCC(C(=O)O)(c1ccccc1)c1ccccc1","O=C(O)CCCC(C(=O)O)(c1ccccc1)c2ccccc2",{"$nulls":4},298.1205090560005,"?"]
[5482,null,"103951-39-9",{"$nulls":7},""]
[5483,null,"103951-40-2",{"$nulls":7},""]
[5484,null,"103983-05-7",{"$nulls":7},""]
[5485,null,"104098-48-8",{"$nulls":7},""]
[5486,null,"104273-73-6",{"$nulls":7},""]
[5487,"COc1c(oc2ccccc12)C(O)=O","104315-56-2","COc1c(C(=O)O)oc2ccccc12","COc1c2c(oc1C(=O)O)cccc2",{"$nulls":4},192.042258736,"?"]
[5488,null,"104437-99-2",{"$nulls":7},""]
[5489,null,"104438-04-2",{"$nulls":7},""]
[5490,null,"104459-82-7",{"$nulls":7},""]
[5491,"CCOc1ccc(cc1)[Si](C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2","105024-66-6","CCOc1ccc([Si](C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2)cc1","CCOc1ccc(cc1)[Si](C)(C)CCCc2cc(c(cc2)F)Oc3ccccc3",{"$nulls":4},408.1920849180008,"?"]
[5492,"C[CH](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C(=O)OCC#C","105512-06-9","C#CCOC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1","C#CCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)F",{"$nulls":4},349.0517137960003,"?"]
[5493,"CCOCCc1ccc(OCCNc2ncnc(CC)c2Cl)c(C)c1C","105779-78-0","CCOCCc1ccc(OCCNc2ncnc(CC)c2Cl)c(C)c1C","CCOCCc1c(c(c(cc1)OCCNc2c(c(ncn2)CC)Cl)C)C",{"$nulls":4},377.18700481600075,"?"]
[5494,"CC(CCC(O)=O)NC(=O)c1ccccc1","105900-63-8","CC(CCC(=O)O)NC(=O)c1ccccc1","CC(CCC(=O)O)NC(=O)c1ccccc1",{"$nulls":4},221.10519334,"?"]
[5495,null,"105951-31-3",{"$nulls":7},""]
[5496,null,"105951-32-4",{"$nulls":7},""]
[5497,null,"105951-36-8",{"$nulls":7},""]
[5498,null,"105951-71-1",{"$nulls":7},""]
[5499,"Cc1nc(Br)[nH]c1[N+]([O-])=O","105983-46-8","Cc1nc(Br)[nH]c1[N+](=O)[O-]","Cc1c([nH]c(n1)Br)[N+](=O)[O-]",{"$nulls":4},204.948688468,"?"]
[5500,null,"106038-70-4",{"$nulls":7},""]
[5501,null,"106164-79-8",{"$nulls":7},""]
[5502,"CNC(=O)COC(=O)c1ccccc1","106231-50-9","CNC(=O)COC(=O)c1ccccc1","CNC(=O)COC(=O)c1ccccc1",{"$nulls":4},193.073893212,"?"]
[5503,"CCCNC(=O)COC(=O)c1ccccc1","106231-51-0","CCCNC(=O)COC(=O)c1ccccc1","CCCNC(=O)COC(=O)c1ccccc1",{"$nulls":4},221.10519334,"?"]
[5504,"CC(C)(C)NC(=O)COC(=O)c1ccccc1","106231-52-1","CC(C)(C)NC(=O)COC(=O)c1ccccc1","CC(C)(C)NC(=O)COC(=O)c1ccccc1",{"$nulls":4},235.120843404,"?"]
[5505,"NC(=O)CNC(=O)COC(=O)c1ccccc1","106231-53-2","NC(=O)CNC(=O)COC(=O)c1ccccc1","NC(=O)CNC(=O)COC(=O)c1ccccc1",{"$nulls":4},236.079706864,"?"]
[5506,"CN(C)C(=O)COC(=O)c1ccccc1","106231-54-3","CN(C)C(=O)COC(=O)c1ccccc1","CN(C)C(=O)COC(=O)c1ccccc1",{"$nulls":4},207.089543276,"?"]
[5507,"CCCN(CCC)C(=O)COC(=O)c1ccccc1","106231-55-4","CCCN(CCC)C(=O)COC(=O)c1ccccc1","CCCN(CCC)C(=O)COC(=O)c1ccccc1",{"$nulls":4},263.1521435320002,"?"]
[5508,null,"106231-56-5",{"$nulls":7},""]
[5509,"CCCCN(CCCC)C(=O)COC(=O)c1ccccc1","106231-57-6","CCCCN(CCCC)C(=O)COC(=O)c1ccccc1","CCCCN(CCCC)C(=O)COC(=O)c1ccccc1",{"$nulls":4},291.1834436600007,"?"]
[5510,"C=CCN(CC=C)C(=O)COC(=O)c1ccccc1","106231-58-7","C=CCN(CC=C)C(=O)COC(=O)c1ccccc1","C=CCN(CC=C)C(=O)COC(=O)c1ccccc1",{"$nulls":4},259.1208434040001,"?"]
[5511,null,"106231-59-8",{"$nulls":7},""]
[5512,null,"106231-60-1",{"$nulls":7},""]
[5513,null,"106231-61-2",{"$nulls":7},""]
[5514,null,"106231-62-3",{"$nulls":7},""]
[5515,null,"106231-63-4",{"$nulls":7},""]
[5516,"CN(CC(O)=O)C(=O)COC(=O)c1ccccc1","106231-64-5","CN(CC(=O)O)C(=O)COC(=O)c1ccccc1","CN(CC(=O)O)C(=O)COC(=O)c1ccccc1",{"$nulls":4},251.079372516,"?"]
[5517,"O=C(COC(=O)c1ccccc1)N2CCCCC2","106231-67-8","O=C(OCC(=O)N1CCCCC1)c1ccccc1","O=C(OCC(=O)N1CCCCC1)c2ccccc2",{"$nulls":4},247.120843404,"?"]
[5518,"O=C(COC(=O)c1ccccc1)N2CCOCC2","106231-68-9","O=C(OCC(=O)N1CCOCC1)c1ccccc1","O=C(OCC(=O)N1CCOCC1)c2ccccc2",{"$nulls":4},249.10010796,"?"]
[5519,null,"106231-69-0",{"$nulls":7},""]
[5520,null,"106319-38-4",{"$nulls":7},""]
[5521,null,"106319-42-0",{"$nulls":7},""]
[5522,null,"106319-44-2",{"$nulls":7},""]
[5523,null,"106319-45-3",{"$nulls":7},""]
[5524,null,"106319-46-4",{"$nulls":7},""]
[5525,null,"106325-08-0",{"$nulls":7},""]
[5526,null,"106335-79-9",{"$nulls":7},""]
[5527,null,"106400-04-8",{"$nulls":7},""]
[5528,"CC(C)Cc1ccnc(N[S](=O)(=O)c2ccc(N)cc2)n1","106596-34-3","CC(C)Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","CC(C)Cc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},306.11504681600053,"?"]
[5529,"CC(=O)Nc1ccc(cc1)[S](=O)(=O)Nc2cccnn2","106840-27-1","CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnn2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nnccc2",{"$nulls":4},292.0630112440004,"?"]
[5530,"CCC(NC=O)C(O)=O","106873-99-8","CCC(NC=O)C(=O)O","CCC(NC=O)C(=O)O",{"$nulls":4},131.058243148,"?"]
[5531,"CCCCCc1ccnc(N[S](=O)(=O)c2ccc(N)cc2)n1","107203-72-5","CCCCCc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","CCCCCc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},320.1306968800006,"?"]
[5532,"CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn2cncn2","107534-96-3","CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1","CC(C)(C)C(O)(CCc1ccc(cc1)Cl)Cn2ncnc2",{"$nulls":4},307.14514000400067,"?"]
[5533,null,"108018-38-8",{"$nulls":7},""]
[5534,"N[S](=O)(=O)c1ccc(SCCO)cc1","108966-48-9","NS(=O)(=O)c1ccc(SCCO)cc1","NS(=O)(=O)c1ccc(cc1)SCCO",{"$nulls":4},233.018035212,"?"]
[5535,null,"108966-49-0",{"$nulls":7},""]
[5536,"N[S](=O)(=O)c1ccc(SCCCO)cc1","108966-51-4","NS(=O)(=O)c1ccc(SCCCO)cc1","NS(=O)(=O)c1ccc(cc1)SCCCO",{"$nulls":4},247.033685276,"?"]
[5537,null,"108966-53-6",{"$nulls":7},""]
[5538,"N[S](=O)(=O)c1ccc(SCCCCCO)cc1","108966-54-7","NS(=O)(=O)c1ccc(SCCCCCO)cc1","NS(=O)(=O)c1ccc(cc1)SCCCCCO",{"$nulls":4},275.0649854040005,"?"]
[5539,null,"108966-55-8",{"$nulls":7},""]
[5540,null,"108966-56-9",{"$nulls":7},""]
[5541,null,"108966-58-1",{"$nulls":7},""]
[5542,"N[S](=O)(=O)c1ccccc1SCCCO","108966-59-2","NS(=O)(=O)c1ccccc1SCCCO","NS(=O)(=O)c1c(cccc1)SCCCO",{"$nulls":4},247.033685276,"?"]
[5543,null,"108966-66-1",{"$nulls":7},""]
[5544,null,"108966-67-2",{"$nulls":7},""]
[5545,null,"108966-70-7",{"$nulls":7},""]
[5546,null,"108966-74-1",{"$nulls":7},""]
[5547,null,"108966-75-2",{"$nulls":7},""]
[5548,null,"108966-76-3",{"$nulls":7},""]
[5549,null,"108966-77-4",{"$nulls":7},""]
[5550,null,"108966-78-5",{"$nulls":7},""]
[5551,"CC(O)(CCC(C)(O)C(O)=O)C(O)=O","108967-69-7","CC(O)(CCC(C)(O)C(=O)O)C(=O)O","CC(O)(CCC(C)(O)C(=O)O)C(=O)O",{"$nulls":4},206.079038168,"?"]
[5552,"CCCc1nc(N)c(CC)c(CCC)n1","109217-08-5","CCCc1nc(N)c(CC)c(CCC)n1","CCCc1nc(c(c(n1)N)CC)CCC",{"$nulls":4},207.17354767199998,"?"]
[5553,null,"109293-97-2",{"$nulls":7},""]
[5554,"OC(=O)c1ccccc1C2OC(=O)c3ccccc23","109407-76-3","O=C(O)c1ccccc1C1OC(=O)c2ccccc21","O=C(O)c1c(cccc1)C2c3c(C(O2)=O)cccc3",{"$nulls":4},254.0579088,"?"]
[5555,"O=C1CCCCCCCCCCCCCCCCCN1","109643-95-0","O=C1CCCCCCCCCCCCCCCCCN1","O=C1NCCCCCCCCCCCCCCCCC1",{"$nulls":4},281.2718647400007,"?"]
[5556,null,"110056-75-2",{"$nulls":7},""]
[5557,null,"110104-37-5",{"$nulls":7},""]
[5558,"CC#Cc1cc(C)nc(Nc2ccccc2)n1","110235-47-7","CC#Cc1cc(C)nc(Nc2ccccc2)n1","CC#Cc1nc(nc(c1)C)Nc2ccccc2",{"$nulls":4},223.110947416,"?"]
[5559,null,"110956-75-7",{"$nulls":7},""]
[5560,"Cc1ccc(c(C)c1)[P](O)(O)=O","111192-85-9","Cc1ccc(P(=O)(O)O)c(C)c1","Cc1cc(c(cc1)P(=O)(O)O)C",{"$nulls":4},186.044580842,"?"]
[5561,"CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCCON=C(C)C","111479-05-1","CC(C)=NOCCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","CC(C)=NOCCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",{"$nulls":4},443.12479848400056,"?"]
[5562,null,"111578-32-6",{"$nulls":7},""]
[5563,null,"111675-77-5",{"$nulls":7},""]
[5564,null,"111692-63-8",{"$nulls":7},""]
[5565,null,"111767-94-3",{"$nulls":7},""]
[5566,null,"111767-95-4",{"$nulls":7},""]
[5567,null,"111797-49-0",{"$nulls":7},""]
[5568,"Cn1nc(C)c(C=NOCc2ccc(cc2)C(=O)OC(C)(C)C)c1Oc3ccccc3","111812-58-9","Cc1nn(C)c(Oc2ccccc2)c1C=NOCc1ccc(C(=O)OC(C)(C)C)cc1","Cc1c(c(n(n1)C)Oc2ccccc2)C=NOCc3ccc(cc3)C(=O)OC(C)(C)C",{"$nulls":4},421.20015634400073,"?"]
[5569,"CC(C)(COCc1cccc(Oc2ccccc2)c1)c3ccc(OC(F)(F)Br)cc3","111872-58-3","CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)(F)Br)cc1","CC(C)(COCc1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)(F)Br",{"$nulls":4},476.07986313600065,"?"]
[5570,"CCOC(=O)CSc1nc(nn1C(=O)N(C)C)C(C)(C)C","112143-82-5","CCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C","CCOC(=O)CSc1n(nc(n1)C(C)(C)C)C(=O)N(C)C",{"$nulls":4},314.1412615640006,"?"]
[5571,"CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c2ccccc2","112226-61-6","CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1","CC(C)(C)N(NC(=O)c1ccc(cc1)Cl)C(=O)c2ccccc2",{"$nulls":4},330.11350552800053,"?"]
[5572,"CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C","112410-23-8","CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1","CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C",{"$nulls":4},352.2150781360008,"?"]
[5573,"OC(=O)C1CC1C(=O)Nc2ccc(Cl)cc2Cl","113136-77-9","O=C(O)C1CC1C(=O)Nc1ccc(Cl)cc1Cl","O=C(O)C1C(C1)C(=O)Nc2c(cc(cc2)Cl)Cl",{"$nulls":4},272.99594850800025,"?"]
[5574,"CC(Oc1ccc(Oc2oc3cc(Cl)ccc3n2)cc1)C(O)=O","113158-40-0","CC(Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(=O)O","CC(Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3)C(=O)O",{"$nulls":4},333.0404001640003,"?"]
[5575,null,"113222-29-0",{"$nulls":7},""]
[5577,null,"113597-77-6",{"$nulls":7},""]
[5578,"Nc1ccc(cc1)[S](=O)(=O)c2ccc(cc2)[S](N)(=O)=O","113597-78-7","Nc1ccc(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)S(N)(=O)=O",{"$nulls":4},312.0238488640003,"?"]
[5579,"COCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(c1)C(O)=O","114311-32-9","COCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1","COCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O",{"$nulls":4},305.1375560880005,"?"]
[5580,"Clc1ccc(CCC(Cn2cncn2)(C#N)c3ccccc3)cc1","114369-43-6","N#CC(CCc1ccc(Cl)cc1)(Cn1cncn1)c1ccccc1","N#CC(CCc1ccc(cc1)Cl)(Cn2ncnc2)c3ccccc3",{"$nulls":4},336.11417422400046,"?"]
[5581,"CC[CH]1[CH](C)OC1=O","114592-79-9","CCC1C(=O)OC1C","CCC1C(OC1=O)C",{"$nulls":4},114.06807956,"?"]
[5582,null,"114665-08-6",{"$nulls":7},""]
[5583,null,"114665-09-7",{"$nulls":7},""]
[5584,null,"115178-63-7",{"$nulls":7},""]
[5585,null,"115178-64-8",{"$nulls":7},""]
[5586,"O=C(COC(=O)c1ccccc1)N2CCC2","115178-66-0","O=C(OCC(=O)N1CCC1)c1ccccc1","O=C(OCC(=O)N1CCC1)c2ccccc2",{"$nulls":4},219.089543276,"?"]
[5587,"O=C(COC(=O)c1ccccc1)N2CCCCCC2","115178-68-2","O=C(OCC(=O)N1CCCCCC1)c1ccccc1","O=C(OCC(=O)N1CCCCCC1)c2ccccc2",{"$nulls":4},261.13649346800014,"?"]
[5588,"OC1CCN(CC1)C(=O)COC(=O)c2ccccc2","115178-71-7","O=C(OCC(=O)N1CCC(O)CC1)c1ccccc1","O=C(OCC(=O)N1CCC(CC1)O)c2ccccc2",{"$nulls":4},263.11575802400023,"?"]
[5589,null,"115178-74-0",{"$nulls":7},""]
[5590,"OC(=O)[CH]1CCCN1C(=O)COC(=O)c2ccccc2","115178-75-1","O=C(OCC(=O)N1CCCC1C(=O)O)c1ccccc1","O=C(OCC(=O)N1C(CCC1)C(=O)O)c2ccccc2",{"$nulls":4},277.09502258000043,"?"]
[5591,"COC(=O)[CH]1CCCN1C(=O)COC(=O)c2ccccc2","115178-76-2","COC(=O)C1CCCN1C(=O)COC(=O)c1ccccc1","COC(=O)C1N(CCC1)C(=O)COC(=O)c2ccccc2",{"$nulls":4},291.1106726440005,"?"]
[5592,"CN(C)C(=O)CCOC(=O)c1ccccc1","115178-77-3","CN(C)C(=O)CCOC(=O)c1ccccc1","CN(C)C(=O)CCOC(=O)c1ccccc1",{"$nulls":4},221.10519334,"?"]
[5593,"CN(C)C(=O)CCCOC(=O)c1ccccc1","115178-78-4","CN(C)C(=O)CCCOC(=O)c1ccccc1","CN(C)C(=O)CCCOC(=O)c1ccccc1",{"$nulls":4},235.120843404,"?"]
[5594,null,"115178-79-5",{"$nulls":7},""]
[5595,"CN(C(C)=O)C(=O)COC(=O)c1ccccc1","115178-80-8","CC(=O)N(C)C(=O)COC(=O)c1ccccc1","CC(=O)N(C)C(=O)COC(=O)c1ccccc1",{"$nulls":4},235.084457896,"?"]
[5596,"CC(C)NC(=O)COC(=O)c1ccccc1","115193-27-6","CC(C)NC(=O)COC(=O)c1ccccc1","CC(C)NC(=O)COC(=O)c1ccccc1",{"$nulls":4},221.10519334,"?"]
[5597,"CCCCNC(=O)COC(=O)c1ccccc1","115193-28-7","CCCCNC(=O)COC(=O)c1ccccc1","CCCCNC(=O)COC(=O)c1ccccc1",{"$nulls":4},235.120843404,"?"]
[5598,"CCCCCCNC(=O)COC(=O)c1ccccc1","115193-29-8","CCCCCCNC(=O)COC(=O)c1ccccc1","CCCCCCNC(=O)COC(=O)c1ccccc1",{"$nulls":4},263.1521435320002,"?"]
[5599,"CC(NC(=O)COC(=O)c1ccccc1)C(N)=O","115193-30-1","CC(NC(=O)COC(=O)c1ccccc1)C(N)=O","CC(NC(=O)COC(=O)c1ccccc1)C(N)=O",{"$nulls":4},250.095356928,"?"]
[5600,null,"115193-31-2",{"$nulls":7},""]
[5601,null,"115193-33-4",{"$nulls":7},""]
[5602,"CCCCCCN1CC(CC1=O)C(O)=O","116167-27-2","CCCCCCN1CC(C(=O)O)CC1=O","CCCCCCN1C(CC(C1)C(=O)O)=O",{"$nulls":4},213.136493468,"?"]
[5603,"Clc1ccc(c(Cl)c1)C2(CC(Br)CO2)Cn3cncn3","116255-48-2","Clc1ccc(C2(Cn3cncn3)CC(Br)CO2)c(Cl)c1","Clc1cc(c(cc1)C2(OCC(C2)Br)Cn3ncnc3)Cl",{"$nulls":4},374.9540794640004,"?"]
[5604,null,"116482-56-5",{"$nulls":7},""]
[5605,"CCCN(CCC)C1(OC(C)=O)C=CC=CC1C(O)=O","116482-75-8","CCCN(CCC)C1(OC(C)=O)C=CC=CC1C(=O)O","CCCN(CCC)C1(C(C=CC=C1)C(=O)O)OC(C)=O",{"$nulls":4},281.1627082160006,"?"]
[5606,null,"116482-76-9",{"$nulls":7},""]
[5607,null,"116482-77-0",{"$nulls":7},""]
[5608,"CC(=O)OC1(C=CC=CC1C(O)=O)N2CCOCC2","116482-80-5","CC(=O)OC1(N2CCOCC2)C=CC=CC1C(=O)O","CC(=O)OC1(C(C=CC=C1)C(=O)O)N2CCOCC2",{"$nulls":4},267.1106726440003,"?"]
[5609,"FC(OC(F)(F)F)C(F)(F)Oc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl","116714-46-6","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OC(F)(F)C(F)OC(F)(F)F)c(Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)OC(F)(F)C(F)OC(F)(F)F)Cl",{"$nulls":4},492.01231020800026,"?"]
[5610,"CCNC(C)CC","116724-10-8","CCNC(C)CC","CCNC(C)CC",{"$nulls":4},101.12044947999999,"?"]
[5611,"NCCCCC(NC(=O)c1ccccc1)C(O)=O","116783-33-6","NCCCCC(NC(=O)c1ccccc1)C(=O)O","NCCCCC(NC(=O)c1ccccc1)C(=O)O",{"$nulls":4},250.131742436,"?"]
[5612,null,"116977-37-8",{"$nulls":7},""]
[5613,"COC(=O)CSc1cc(N=C2SC(=O)N3CCCCN23)c(F)cc1Cl","117337-19-6","COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl","COC(=O)CSc1c(cc(c(c1)N=c2n3n(c(s2)=O)CCCC3)F)Cl",{"$nulls":4},403.0227392400004,"?"]
[5614,"O[CH]([CH](O)[CH](O)C(O)=O)[CH](O)C(O)=O","117468-79-8","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",{"$nulls":4},210.03756728000002,"?"]
[5615,null,"117608-69-2",{"$nulls":7},""]
[5616,"COC(=O)c1c(CC(C)C)c(C2=NCCS2)c(nc1C(F)F)C(F)(F)F","117718-60-2","COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C2=NCCS2)c1CC(C)C","COC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C=2SCCN2)CC(C)C",{"$nulls":4},396.0930898840005,"?"]
[5617,null,"118134-30-8",{"$nulls":7},""]
[5618,"OCCc1ccc(O)c(c1)[N+]([O-])=O","118172-64-8","O=[N+]([O-])c1cc(CCO)ccc1O","O=[N+]([O-])c1c(ccc(c1)CCO)O",{"$nulls":4},183.053157768,"?"]
[5619,null,"118247-01-1",{"$nulls":7},""]
[5620,null,"118247-02-2",{"$nulls":7},""]
[5621,null,"118247-03-3",{"$nulls":7},""]
[5622,"CN(C)C1(OC(C)=O)C=CC=CC1C(O)=O","118247-04-4","CC(=O)OC1(N(C)C)C=CC=CC1C(=O)O","CC(=O)OC1(C(C=CC=C1)C(=O)O)N(C)C",{"$nulls":4},225.10010796,"?"]
[5623,null,"118247-07-7",{"$nulls":7},""]
[5624,"CC1OC(=O)c2cc(N)ccc12","118343-31-0","CC1OC(=O)c2cc(N)ccc21","CC1c2c(C(O1)=O)cc(N)cc2",{"$nulls":4},163.063328528,"?"]
[5625,"CC1(C)[CH](C=C(Cl)Cl)[CH]1C(=O)OCc2c(F)c(F)cc(F)c2F","118712-89-3","CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1c(F)c(F)cc(F)c1F","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2c(c(cc(c2F)F)F)F)C",{"$nulls":4},370.01504786400034,"?"]
[5626,null,"118923-30-1",{"$nulls":7},""]
[5627,"COc1ccc(cc1)C(=O)c2csc(c2)[S](N)(=O)=O","118976-97-9","COc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1","COc1ccc(cc1)C(=O)c2cc(sc2)S(N)(=O)=O",{"$nulls":4},297.0129498320003,"?"]
[5628,"N[S](=O)(=O)c1scc(c1)C(=O)c2ccc(O)cc2","118993-57-0","NS(=O)(=O)c1cc(C(=O)c2ccc(O)cc2)cs1","NS(=O)(=O)c1scc(c1)C(=O)c2ccc(cc2)O",{"$nulls":4},282.9972997680003,"?"]
[5629,"COc1ccc(cc1)C(=O)c2coc(c2)[S](N)(=O)=O","118993-61-6","COc1ccc(C(=O)c2coc(S(N)(=O)=O)c2)cc1","COc1ccc(cc1)C(=O)c2cc(oc2)S(N)(=O)=O",{"$nulls":4},281.0357934520003,"?"]
[5630,"Cc1ccc(cc1)C(=O)c2csc(c2)[S](N)(=O)=O","119018-06-3","Cc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1","Cc1ccc(cc1)C(=O)c2cc(sc2)S(N)(=O)=O",{"$nulls":4},281.0180352120003,"?"]
[5631,"NC(=O)c1nn(c2ccc(Cl)c(COCC(F)(F)C(F)(F)F)c2)c(n1)c3ccccc3","119126-15-7","NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(COCC(F)(F)C(F)(F)F)c2)n1","NC(=O)c1nn(c(n1)-c2ccccc2)-c3cc(c(cc3)Cl)COCC(F)(F)C(F)(F)F",{"$nulls":4},460.07254446800044,"?"]
[5632,"CCc1nn(C)c(C(=O)NCc2ccc(cc2)C(C)(C)C)c1Cl","119168-77-3","CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl","CCc1c(c(n(n1)C)C(=O)NCc2ccc(cc2)C(C)(C)C)Cl",{"$nulls":4},333.16079006800067,"?"]
[5633,"CC1COC(Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl","119446-68-3","CC1COC(Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1","CC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Oc4ccc(cc4)Cl)Cl",{"$nulls":4},405.0646967640005,"?"]
[5634,null,"119731-18-9",{"$nulls":7},""]
[5635,"CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCC4CCCO4","119738-06-6","CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCC1CCCO1","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)OCC4OCCC4",{"$nulls":4},428.1138994520005,"?"]
[5636,"Nc1n(nc(C#N)c1[S](=O)C(F)(F)F)c2c(Cl)cc(cc2Cl)C(F)(F)F","120068-37-3","N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F","N#Cc1c(c(n(n1)-c2c(cc(cc2Cl)C(F)(F)F)Cl)N)S(=O)C(F)(F)F",{"$nulls":4},435.9387064280001,"?"]
[5637,"COc1cc(OC)nc(NC(=O)N[S](=O)(=O)c2n(C)ncc2c3nnn(C)n3)n1","120162-55-2","COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(-c3nnn(C)n3)cnn2C)n1","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n(ncc2-c3nn(nn3)C)C",{"$nulls":4},424.1025846120006,"?"]
[5638,"CCN(Cc1ccc(Cl)nc1)C(NC)=C[N+]([O-])=O","120738-89-8","CCN(Cc1ccc(Cl)nc1)C(=C[N+](=O)[O-])NC","CCN(Cc1cnc(cc1)Cl)C(=C[N+](=O)[O-])NC",{"$nulls":4},270.08835340000036,"?"]
[5639,"CC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1","120928-09-8","CC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1","CC(C)(C)c1ccc(cc1)CCOc2c3c(ncn2)cccc3",{"$nulls":4},306.1732133240006,"?"]
[5640,"COc1ccc(NCC(O)CO)cc1","121082-77-7","COc1ccc(NCC(O)CO)cc1","COc1ccc(cc1)NCC(O)CO",{"$nulls":4},197.10519334,"?"]
[5641,null,"121552-61-2",{"$nulls":7},""]
[5642,null,"121776-33-8",{"$nulls":7},""]
[5644,null,"122510-85-4",{"$nulls":7},""]
[5645,"COc1cc(OC)nc(NC(=O)N[S](=O)(=O)c2n3ccccc3nc2Cl)n1","122548-33-8","COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(Cl)nc3ccccn23)n1","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n3c(nc2Cl)cccc3",{"$nulls":4},412.0356661960004,"?"]
[5646,"NC(=O)C[CH](NC(=O)CCl)C(O)=O","122723-93-7","NC(=O)CC(NC(=O)CCl)C(=O)O","NC(=O)CC(NC(=O)CCl)C(=O)O",{"$nulls":4},208.025084448,"?"]
[5647,"CC[S](=O)(=O)c1cccnc1[S](=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2","122931-48-0","CCS(=O)(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCS(=O)(=O)c1c(nccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",{"$nulls":4},431.0569398840005,"?"]
[5648,null,"123202-89-1",{"$nulls":7},""]
[5649,"CC1=NNC(=O)N(C1)N=Cc2cccnc2","123312-89-0","CC1=NNC(=O)N(N=Cc2cccnc2)C1","CC=1CN(C(NN1)=O)N=Cc2cnccc2",{"$nulls":4},217.096359972,"?"]
[5650,"C[CH](O)CCCC=O","123411-56-3","CC(O)CCCC=O","CC(O)CCCC=O",{"$nulls":4},116.083729624,"?"]
[5651,null,"123469-53-4",{"$nulls":7},""]
[5652,"CCOC(=O)c1ccc(OC)c(OC)c1C([O-])=O","123796-70-3","CCOC(=O)c1ccc(OC)c(OC)c1C(=O)[O-]","CCOC(=O)c1c(c(c(cc1)OC)OC)C(=O)O",{"$nulls":4},253.071213136,"Structure has been neutralized"]
[5653,"Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1","124495-18-7","Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1","Fc1ccc(cc1)Oc2c3c(ncc2)cc(Cl)cc3Cl",{"$nulls":4},306.9966974560002,"?"]
[5654,"CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)Cn3cncn3","125116-23-6","CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1","CC1(C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C",{"$nulls":4},319.14514000400067,"?"]
[5655,null,"125225-28-7",{"$nulls":7},""]
[5656,"CCN(CC)C(=O)n1cnc(n1)[S](=O)(=O)c2c(C)cc(C)cc2C","125306-83-4","CCN(CC)C(=O)n1cnc(S(=O)(=O)c2c(C)cc(C)cc2C)n1","CCN(CC)C(=O)n1nc(nc1)S(=O)(=O)c2c(cc(cc2C)C)C",{"$nulls":4},350.1412615640006,"?"]
[5657,"CC=CC(=O)Nc1ccc(O)cc1","125349-99-7","CC=CC(=O)Nc1ccc(O)cc1","CC=CC(=O)Nc1ccc(cc1)O",{"$nulls":4},177.078978592,"?"]
[5658,null,"125644-63-5",{"$nulls":7},""]
[5659,"CCC(CC)(C#N)C(=O)NC(N)=O","126245-49-6","CCC(C#N)(CC)C(=O)NC(N)=O","CCC(C#N)(CC)C(=O)NC(N)=O",{"$nulls":4},183.100776656,"?"]
[5660,"CCOc1ccccc1O[S](=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2","126801-58-9","CCOc1ccccc1OS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCOc1c(cccc1)OS(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",{"$nulls":4},398.0896199160005,"?"]
[5661,null,"127640-90-8",{"$nulls":7},""]
[5662,null,"128348-32-3",{"$nulls":7},""]
[5663,null,"128348-34-5",{"$nulls":7},""]
[5664,null,"128348-35-6",{"$nulls":7},""]
[5665,null,"128348-42-5",{"$nulls":7},""]
[5666,null,"128348-43-6",{"$nulls":7},""]
[5667,null,"128348-44-7",{"$nulls":7},""]
[5668,"CCOC(=O)C(Cl)Cc1cc(N2N=C(C)N(C(F)F)C2=O)c(F)cc1Cl","128639-02-1","CCOC(=O)C(Cl)Cc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl","CCOC(=O)C(Cl)Cc1c(cc(c(c1)-n2c(n(c(n2)C)C(F)F)=O)F)Cl",{"$nulls":4},411.0364313280004,"?"]
[5669,null,"128823-80-3",{"$nulls":7},""]
[5670,"CCC1=C(C(O)=O)C(=O)C=NN1c2ccc(Cl)cc2","129025-54-3","CCc1c(C(=O)O)c(=O)cnn1-c1ccc(Cl)cc1","CCc1n(ncc(c1C(=O)O)=O)-c2ccc(cc2)Cl",{"$nulls":4},278.0458198920003,"?"]
[5671,null,"129085-57-0",{"$nulls":7},""]
[5672,null,"129085-58-1",{"$nulls":7},""]
[5673,null,"129586-32-9",{"$nulls":7},""]
[5674,"CCOC(=O)COc1cc(c(F)cc1Cl)c2nn(C)c(OC(F)F)c2Cl","129630-17-7","CCOC(=O)COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl","CCOC(=O)COc1c(cc(c(c1)-c2c(c(n(n2)C)OC(F)F)Cl)F)Cl",{"$nulls":4},412.02044691600037,"?"]
[5675,null,"130000-40-7",{"$nulls":7},""]
[5676,null,"130339-07-0",{"$nulls":7},""]
[5677,"FC1(F)Oc2cccc(c2O1)c3c[nH]cc3C#N","131341-86-1","N#Cc1c[nH]cc1-c1cccc2c1OC(F)(F)O2","N#Cc1c(c[nH]c1)-c2c3c(ccc2)OC(O3)(F)F",{"$nulls":4},248.039733872,"?"]
[5678,"CC1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)cc3","131807-57-3","CC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccccc2)C1=O","CC1(C(N(C(O1)=O)Nc2ccccc2)=O)c3ccc(cc3)Oc4ccccc4",{"$nulls":4},374.1266570560005,"?"]
[5679,"COC=C(C(=O)OC)c1ccccc1Oc2cc(Oc3ccccc3C#N)ncn2","131860-33-8","COC=C(C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1","COC=C(C(=O)OC)c1c(cccc1)Oc2ncnc(c2)Oc3c(cccc3)C#N",{"$nulls":4},403.1168206440006,"?"]
[5680,"CC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn3cncn3","131983-72-7","CC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn1cncn1","CC1(C(C(CC1)=Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C",{"$nulls":4},317.1294899400006,"?"]
[5681,null,"133220-30-1",{"$nulls":7},""]
[5682,null,"133408-50-1",{"$nulls":7},""]
[5683,"CSC(=O)c1cccc2nnsc12","135158-54-2","CSC(=O)c1cccc2nnsc12","CSC(=O)c1c2c(ccc1)nns2",{"$nulls":4},209.992154812,"?"]
[5684,"CN(Cc1ccc(Cl)nc1)C(C)=NC#N","135410-20-7","CC(=NC#N)N(C)Cc1ccc(Cl)nc1","CC(=NC#N)N(C)Cc1cnc(cc1)Cl",{"$nulls":4},222.06722403199998,"?"]
[5685,"CCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(C)(C1)C(=O)OCC","135590-91-9","CCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(C)(C(=O)OCC)C1","CCOC(=O)C=1CC(N(N1)c2c(cc(cc2)Cl)Cl)(C)C(=O)OCC",{"$nulls":4},372.06436241600045,"?"]
[5686,null,"135832-38-1",{"$nulls":7},""]
[5687,null,"135832-39-2",{"$nulls":7},""]
[5688,"N[S](=O)(=O)c1ccc(SCCCCO)cc1","135832-41-6","NS(=O)(=O)c1ccc(SCCCCO)cc1","NS(=O)(=O)c1ccc(cc1)SCCCCO",{"$nulls":4},261.04933534000014,"?"]
[5689,null,"135832-42-7",{"$nulls":7},""]
[5690,null,"135832-45-0",{"$nulls":7},""]
[5691,"N[S](=O)(=O)c1ccc(CCCO)cc1","135832-46-1","NS(=O)(=O)c1ccc(CCCO)cc1","NS(=O)(=O)c1ccc(cc1)CCCO",{"$nulls":4},215.061614276,"?"]
[5692,null,"135832-47-2",{"$nulls":7},""]
[5693,"N[S](=O)(=O)c1ccc(CCCCO)cc1","135832-48-3","NS(=O)(=O)c1ccc(CCCCO)cc1","NS(=O)(=O)c1ccc(cc1)CCCCO",{"$nulls":4},229.07726434,"?"]
[5694,"N[S](=O)(=O)c1ccc(CCCCCO)cc1","135832-50-7","NS(=O)(=O)c1ccc(CCCCCO)cc1","NS(=O)(=O)c1ccc(cc1)CCCCCO",{"$nulls":4},243.092914404,"?"]
[5695,null,"135832-51-8",{"$nulls":7},""]
[5696,"COC(=O)c1cccc(C)c1[S](=O)(=O)NC(=O)Nc2nc(OCC(F)(F)F)nc(n2)N(C)C","135990-29-3","COC(=O)c1cccc(C)c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(N(C)C)n1","COC(=O)c1c(c(ccc1)C)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OCC(F)(F)F)N(C)C",{"$nulls":4},492.1038879880006,"?"]
[5697,"CON=C(C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OC","136191-64-5","CON=C(C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OC","CON=C(C)c1c(c(ccc1)Oc2nc(cc(n2)OC)OC)C(=O)OC",{"$nulls":4},361.1273853280005,"?"]
[5698,"Fc1ccc2N=C(n3cncn3)N(C(=O)c2c1)c4ccc(Cl)cc4Cl","136426-54-5","O=c1c2cc(F)ccc2nc(-n2cncn2)n1-c1ccc(Cl)cc1Cl","O=c1n(c(nc2c1cc(F)cc2)-n3ncnc3)-c4c(cc(cc4)Cl)Cl",{"$nulls":4},375.0089934560002,"?"]
[5699,"COc1cc(OC)nc(NC(=O)N[S](=O)(=O)Nc2ccccc2C(=O)C3CC3)n1","136849-15-5","COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccccc2C(=O)C2CC2)n1","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Nc2c(cccc2)C(=O)C3CC3",{"$nulls":4},421.10560432800054,"?"]
[5700,null,"136986-57-7",{"$nulls":7},""]
[5701,null,"136986-58-8",{"$nulls":7},""]
[5702,null,"136986-59-9",{"$nulls":7},""]
[5703,null,"136986-60-2",{"$nulls":7},""]
[5704,null,"136986-61-3",{"$nulls":7},""]
[5705,null,"136986-62-4",{"$nulls":7},""]
[5706,null,"136991-36-1",{"$nulls":7},""]
[5707,null,"137013-29-7",{"$nulls":7},""]
[5708,"[O-][N+](=O)NC1=NCCN1Cc2ccc(Cl)nc2","138261-41-3","O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1","O=[N+]([O-])NC=1N(CCN1)Cc2cnc(cc2)Cl",{"$nulls":4},255.05230224,"?"]
[5709,"COc1cc(OC)n2nc(nc2n1)[S](=O)(=O)Nc3c(Cl)ccc(C)c3Cl","139528-85-1","COc1cc(OC)n2nc(S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl)nc2n1","COc1nc2n(c(c1)OC)nc(S(=O)(=O)Nc3c(c(ccc3Cl)C)Cl)n2",{"$nulls":4},417.00653025600036,"?"]
[5710,"C[S](=O)(=O)c1cc(ccc1C(=O)c2cnoc2C3CC3)C(F)(F)F","141112-29-0","CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1","CS(=O)(=O)c1c(ccc(c1)C(F)(F)F)C(=O)c2c(onc2)C3CC3",{"$nulls":4},359.04391352400035,"?"]
[5711,"CC[S](=O)(=O)c1nc2ccccn2c1[S](=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3","141776-32-1","CCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCS(=O)(=O)c1c(n2c(n1)cccc2)S(=O)(=O)NC(=O)Nc3nc(cc(n3)OC)OC",{"$nulls":4},470.06783891600054,"?"]
[5712,"CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c2ccc(F)cc2","142459-58-3","CC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1","CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c2ccc(cc2)F",{"$nulls":4},363.06646053600036,"?"]
[5713,"CON=C(C(=O)OC)c1ccccc1COc2ccccc2C","143390-89-0","CON=C(C(=O)OC)c1ccccc1COc1ccccc1C","CON=C(C(=O)OC)c1c(cccc1)COc2c(cccc2)C",{"$nulls":4},313.1314080880005,"?"]
[5714,"Cc1cc(C)nc(NC(=O)N[S](=O)(=O)c2ccccc2C(=O)OC3COC3)n1","144651-06-9","Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC2COC2)n1","Cc1nc(nc(c1)C)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC3COC3",{"$nulls":4},406.0947052960005,"?"]
[5715,null,"145348-19-2",{"$nulls":7},""]
[5716,null,"145348-20-5",{"$nulls":7},""]
[5717,null,"145348-21-6",{"$nulls":7},""]
[5718,null,"145348-22-7",{"$nulls":7},""]
[5719,null,"145348-23-8",{"$nulls":7},""]
[5720,null,"145348-24-9",{"$nulls":7},""]
[5721,null,"145348-25-0",{"$nulls":7},""]
[5722,null,"145348-26-1",{"$nulls":7},""]
[5723,null,"145348-27-2",{"$nulls":7},""]
[5724,"NC1[CH]2CN(C[CH]12)c3nc4N(C=C(C(O)=O)C(=O)c4cc3F)c5ccc(F)cc5F","147059-72-1","NC1C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC12","NC1C2C1CN(c3c(cc4c(n3)n(cc(c4=O)C(=O)O)-c5c(cc(cc5)F)F)F)C2",{"$nulls":4},416.1096250000004,"?"]
[5725,null,"147150-35-4",{"$nulls":7},""]
[5726,null,"149877-41-8",{"$nulls":7},""]
[5727,null,"153197-14-9",{"$nulls":7},""]
[5728,"CCOc1cc(ccc1C2COC(=N2)c3c(F)cccc3F)C(C)(C)C","153233-91-1","CCOc1cc(C(C)(C)C)ccc1C1COC(c2c(F)cccc2F)=N1","CCOc1c(ccc(c1)C(C)(C)C)C2N=C(OC2)c3c(cccc3F)F",{"$nulls":4},359.1696854160007,"?"]
[5729,null,"154486-27-8",{"$nulls":7},""]
[5730,null,"155999-93-2",{"$nulls":7},""]
[5731,null,"157683-71-1",{"$nulls":7},""]
[5732,null,"157683-72-2",{"$nulls":7},""]
[5733,"CCN(C1CCCCC1)C(=O)N2N=NN(C2=O)c3ccccc3Cl","158237-07-1","CCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCCC1","CCN(C(=O)n1c(n(nn1)-c2c(cccc2)Cl)=O)C3CCCCC3",{"$nulls":4},349.1305525600006,"?"]
[5734,null,"160790-03-4",{"$nulls":7},""]
[5735,null,"160790-04-5",{"$nulls":7},""]
[5736,null,"160790-05-6",{"$nulls":7},""]
[5737,null,"160790-06-7",{"$nulls":7},""]
[5738,null,"160790-07-8",{"$nulls":7},""]
[5739,null,"160790-08-9",{"$nulls":7},""]
[5740,null,"160790-09-0",{"$nulls":7},""]
[5741,null,"160790-10-3",{"$nulls":7},""]
[5742,null,"160790-13-6",{"$nulls":7},""]
[5743,null,"160790-14-7",{"$nulls":7},""]
[5744,null,"160790-17-0",{"$nulls":7},""]
[5745,null,"160790-18-1",{"$nulls":7},""]
[5746,null,"160790-19-2",{"$nulls":7},""]
[5747,"CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccc(Br)cc2)c1)c3ccc(OC(F)F)cc3","160791-64-0","CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccc(Br)cc2)c1)c1ccc(OC(F)F)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccc(cc2)Br)c3ccc(cc3)OC(F)F",{"$nulls":4},529.0700267240005,"?"]
[5748,null,"161050-58-4",{"$nulls":7},""]
[5749,null,"162853-24-9",{"$nulls":7},""]
[5750,null,"162853-25-0",{"$nulls":7},""]
[5751,"CC(C)OC(=O)c1cc(c(F)cc1Cl)c2nn(C)c(c2Br)C(F)(F)F","174514-07-9","CC(C)OC(=O)c1cc(-c2nn(C)c(C(F)(F)F)c2Br)c(F)cc1Cl","CC(C)OC(=O)c1c(cc(c(c1)-c2c(c(n(n2)C)C(F)(F)F)Br)F)Cl",{"$nulls":4},441.9706802840003,"?"]
[5752,null,"185676-84-0",{"$nulls":7},""]
[5753,null,"336111-17-2",{"$nulls":7},""]
[5754,"CCOC(=O)C(NC=O)=Cc1cocc1","336111-18-3","CCOC(=O)C(=Cc1ccoc1)NC=O","CCOC(=O)C(=Cc1cocc1)NC=O",{"$nulls":4},209.068807832,"?"]
[5755,"CCC(CC)O[N+]([O-])=O","SRC002-52-9","CCC(CC)O[N+](=O)[O-]","CCC(CC)O[N+](=O)[O-]",{"$nulls":4},133.073893212,"?"]
[5756,"Oc1cc(Br)cc(C=O)c1","SRC003-41-9","O=Cc1cc(O)cc(Br)c1","O=Cc1cc(cc(c1)O)Br",{"$nulls":4},199.9472915,"?"]
[5757,null,"SRC003-42-0",{"$nulls":7},""]
[5758,null,"SRC003-56-1",{"$nulls":7},""]
[5759,null,"SRC003-56-2",{"$nulls":7},""]
[5760,null,"SRC003-67-2",{"$nulls":7},""]
[5761,null,"SRC003-67-3",{"$nulls":7},""]
[5762,null,"SRC003-67-4",{"$nulls":7},""]
[5763,null,"SRC003-67-5",{"$nulls":7},""]
[5764,null,"SRC003-73-3",{"$nulls":7},""]

{"sheet":"Counterions_CIR_CAS","index":10,"n_rows":5762,"n_cols":12,"rows_kept":5762}
["Original ID","smiles","CAS_NO","Main molecule","smiles - Neutralized","Counterion 1","Counterion 2","Counterion 3","Counterion 4","Molecular Weight","Warnings - Neutralization","Counterion 5"]
[1,"C=O","50-00-0","C=O","C=O",{"$nulls":4},30.010564684,"?"]
[2,"C[CH]1C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]2(C)[C]1(O)C(=O)CO","50-02-2","CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",{"$nulls":4},392.19990224800074,"?"]
[3,"CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C","50-03-3","CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O",{"$nulls":4},404.2198887440009,"?"]
[4,"CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3C(=O)C[C]12C","50-04-4","CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(=O)C2)C)O",{"$nulls":4},402.20423868000086,"?"]
[5,"CCC1(C(=O)NC(=O)NC1=O)c2ccccc2","50-06-6","CCC1(c2ccccc2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)c2ccccc2",{"$nulls":4},232.084792244,"?"]
[6,"CCC1(CC)C(=O)NC(=O)N(C)C1=O","50-11-3","CCC1(CC)C(=O)NC(=O)N(C)C1=O","CCC1(C(N(C(NC1=O)=O)C)=O)CC",{"$nulls":4},198.100442308,"?"]
[7,"[H+].[Cl-].CCOC(=O)C1(CCN(C)CC1)c2ccccc2","50-13-5","CCOC(=O)C1(c2ccccc2)CCN(C)CC1","CCOC(=O)C1(CCN(CC1)C)c2ccccc2","[Cl-]","[H+]",null,null,283.133906624,"?"]
[8,"ClCCN(CCCl)[P]1(=O)NCCCO1","50-18-0","O=P1(N(CCCl)CCCl)NCCCO1","O=P1(OCCCN1)N(CCCl)CCCl",{"$nulls":4},260.0248197100001,"?"]
[9,"CCC(O)(COC(N)=O)c1ccccc1","50-19-1","CCC(O)(COC(N)=O)c1ccccc1","CCC(O)(COC(N)=O)c1ccccc1",{"$nulls":4},209.10519334,"?"]
[10,"CC(O)C(O)=O","50-21-5","CC(O)C(=O)O","CC(O)C(=O)O",{"$nulls":4},90.031694052,"?"]
[11,"C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2C(=O)CO","50-22-6","CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C)C(C(=O)CO)CC4",{"$nulls":4},346.2144094400008,"?"]
[12,"C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)CO)[C]4(C)C[CH](O)[CH]23","50-23-7","CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C",{"$nulls":4},362.2093240600008,"?"]
[13,"C[C]12C[CH](O)[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CC[C]2(O)C(=O)CO","50-24-8","CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(C=C1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C",{"$nulls":4},360.1936739960007,"?"]
[14,"C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[CH]2O","50-28-2","CC12CCC3c4ccc(O)cc4CCC3C1CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O",{"$nulls":4},272.17763000800045,"?"]
[15,"Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl","50-29-3","Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl",{"$nulls":4},351.91468868800024,"?"]
[16,"OC(=O)c1c(Cl)cccc1Cl","50-30-6","O=C(O)c1c(Cl)cccc1Cl","O=C(O)c1c(cccc1Cl)Cl",{"$nulls":4},189.958834728,"?"]
[17,"OC(=O)c1c(Cl)ccc(Cl)c1Cl","50-31-7","O=C(O)c1c(Cl)ccc(Cl)c1Cl","O=C(O)c1c(c(ccc1Cl)Cl)Cl",{"$nulls":4},223.919862376,"?"]
[18,"c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45","50-32-8","c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34","c1cc2c(cc1)c3ccc4cccc5ccc(c2)c3c54",{"$nulls":4},252.093900384,"?"]
[19,"CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3","50-33-9","CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O",{"$nulls":4},308.15247788000056,"?"]
[20,"O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1","50-35-1","O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1","O=C1NC(C(CC1)N2C(c3c(C2=O)cccc3)=O)=O",{"$nulls":4},258.06405680000006,"?"]
[21,null,"50-36-2",{"$nulls":7},""]
[22,"S=C1N=CNc2nc[nH]c12","50-44-2","S=c1nc[nH]c2nc[nH]c12","S=c1c2c([nH]cn1)nc[nH]2",{"$nulls":4},152.015667128,"?"]
[23,"CNCCCN1c2ccccc2CCc3ccccc13","50-47-5","CNCCCN1c2ccccc2CCc2ccccc21","CNCCCN1c2c(CCc3c1cccc3)cccc2",{"$nulls":4},266.17829870400027,"?"]
[24,"CN(C)CCC=C1c2ccccc2CCc3ccccc13","50-48-6","CN(C)CCC=C1c2ccccc2CCc2ccccc21","CN(C)CCC=C1c2c(CCc3c1cccc3)cccc2",{"$nulls":4},277.1830497360006,"?"]
[25,"CN(C)CCCN1c2ccccc2CCc3ccccc13","50-49-7","CN(C)CCCN1c2ccccc2CCc2ccccc21","CN(C)CCCN1c2c(CCc3c1cccc3)cccc2",{"$nulls":4},280.19394876800067,"?"]
[26,"CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13","50-53-3","CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21","CN(C)CCCN1c2c(Sc3c1cccc3)ccc(Cl)c2",{"$nulls":4},318.09574728800055,"?"]
[27,"CO[CH]1[CH](C[CH]2CN3CCc4c([nH]c5cc(OC)ccc45)[CH]3C[CH]2[CH]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6","50-55-5","COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC","COC(=O)C1C(C(CC2C1CC3N(CCc4c3[nH]c5c4ccc(c5)OC)C2)OC(=O)c6cc(c(c(c6)OC)OC)OC)OC",{"$nulls":4},608.273380860001,"?"]
[28,"Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O","50-65-7","O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O",{"$nulls":4},325.9861120960002,"?"]
[29,"NCCc1c[nH]c2ccc(O)cc12","50-67-9","NCCc1c[nH]c2ccc(O)cc12","NCCc1c2c([nH]c1)ccc(O)c2",{"$nulls":4},176.094963004,"?"]
[30,"OCC(O)C(O)C(O)C(O)CO","50-70-4","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",{"$nulls":4},182.079038168,"?"]
[31,"CC(=O)Oc1ccccc1C(O)=O","50-78-2","CC(=O)Oc1ccccc1C(=O)O","CC(=O)Oc1c(cccc1)C(=O)O",{"$nulls":4},180.042258736,"?"]
[32,"OC(=O)c1cc(Cl)ccc1Cl","50-79-3","O=C(O)c1cc(Cl)ccc1Cl","O=C(O)c1c(ccc(c1)Cl)Cl",{"$nulls":4},189.958834728,"?"]
[33,"OCC(O)C1OC(=C(O)C1=O)O","50-81-7","O=C1C(O)=C(O)OC1C(O)CO","O=C1C(OC(=C1O)O)C(O)CO",{"$nulls":4},176.032087976,"?"]
[34,"OC(=O)c1cc(Cl)c(Cl)cc1Cl","50-82-8","O=C(O)c1cc(Cl)c(Cl)cc1Cl","O=C(O)c1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},223.919862376,"?"]
[35,"OC(=O)c1ccc(Cl)cc1Cl","50-84-0","O=C(O)c1ccc(Cl)cc1Cl","O=C(O)c1c(cc(cc1)Cl)Cl",{"$nulls":4},189.958834728,"?"]
[36,"Cc1ccc(C(O)=O)c(O)c1","50-85-1","Cc1ccc(C(=O)O)c(O)c1","Cc1cc(c(cc1)C(=O)O)O",{"$nulls":4},152.047344116,"?"]
[37,"OCC1OC(O)C(O)C(O)C1O","50-99-7","OCC1OC(O)C(O)C(O)C1O","OCC1C(C(C(C(O1)O)O)O)O",{"$nulls":4},180.063388104,"?"]
[38,"CCCCOCCOCCOCc1cc2OCOc2cc1CCC","51-03-6","CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2","CCCCOCCOCCOCc1c(cc2c(c1)OCO2)CCC",{"$nulls":4},338.2093240600009,"?"]
[39,"[nH]1cnc2ccccc12","51-17-2","c1ccc2[nH]cnc2c1","c1cc2c(cc1)[nH]cn2",{"$nulls":4},118.053098192,"?"]
[40,"BrC1=CNC(=O)NC1=O","51-20-7","O=c1[nH]cc(Br)c(=O)[nH]1","O=c1[nH]c(c(c[nH]1)Br)=O",{"$nulls":4},189.937789436,"?"]
[41,"FC1=CNC(=O)NC1=O","51-21-8","O=c1[nH]cc(F)c(=O)[nH]1","O=c1[nH]c(c(c[nH]1)F)=O",{"$nulls":4},130.017855556,"?"]
[42,"Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O","51-28-5","O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},184.012021228,"?"]
[43,"CN1[CH]2CC(C[CH]1C3OC23)OC(=O)[CH](CO)c4ccccc4","51-34-3","CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12","CN1C2CC(CC1C3C2O3)OC(=O)C(CO)c4ccccc4",{"$nulls":4},303.14705815200057,"?"]
[44,"OC1CNC(C1)C(O)=O","51-35-4","O=C(O)C1CC(O)CN1","O=C(O)C1NCC(C1)O",{"$nulls":4},131.058243148,"?"]
[45,"OC(=O)c1cc(Cl)cc(Cl)c1","51-36-5","O=C(O)c1cc(Cl)cc(Cl)c1","O=C(O)c1cc(cc(c1)Cl)Cl",{"$nulls":4},189.958834728,"?"]
[46,"CNC[CH](O)c1ccc(O)c(O)c1.O[CH]([CH](O)C(O)=O)C(O)=O","51-42-3","CNCC(O)c1ccc(O)c(O)c1","CNCC(O)c1cc(c(cc1)O)O","OC(C(O)C(O)=O)C(O)=O",{"$nulls":3},333.105981188,"?"]
[47,"CNC[CH](O)c1ccc(O)c(O)c1","51-43-4","CNCC(O)c1ccc(O)c(O)c1","CNCC(O)c1cc(c(cc1)O)O",{"$nulls":4},183.089543276,"?"]
[48,"OC(=O)c1ccc(Cl)c(Cl)c1","51-44-5","O=C(O)c1ccc(Cl)c(Cl)c1","O=C(O)c1cc(c(cc1)Cl)Cl",{"$nulls":4},189.958834728,"?"]
[49,"CCCC1=CC(=O)NC(=S)N1","51-52-5","CCCc1cc(=O)[nH]c(=S)[nH]1","CCCc1[nH]c([nH]c(c1)=O)=S",{"$nulls":4},170.05138394,"?"]
[50,"CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3","51-55-8","CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3",{"$nulls":4},289.16779359600065,"?"]
[51,"COc1ccc(NC(C)=O)cc1","51-66-1","COc1ccc(NC(C)=O)cc1","COc1ccc(cc1)NC(C)=O",{"$nulls":4},165.078978592,"?"]
[52,"NCCc1ccc(O)cc1","51-67-2","NCCc1ccc(O)cc1","NCCc1ccc(cc1)O",{"$nulls":4},137.084063972,"?"]
[53,"CN(CCCl)CCCl","51-75-2","CN(CCCl)CCCl","CN(CCCl)CCCl",{"$nulls":4},155.026854712,"?"]
[54,"CCOC(N)=O","51-79-6","CCOC(N)=O","CCOC(N)=O",{"$nulls":4},89.047678464,"?"]
[55,"CC(=O)O[C]1(CC[CH]2[CH]3CCC4=CC(=O)CC[CH]4[CH]3CC[C]12C)C#C","51-98-9","C#CC1(OC(C)=O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)OC(C)=O",{"$nulls":4},340.20384475600076,"?"]
[56,"CC(=O)S[CH]1CC2=CC(=O)CC[C]2(C)[CH]3CC[C]4(C)[CH](CC[C]45CCC(=O)O5)[CH]13","52-01-7","CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12","CC(=O)SC1C2C(C3(C(C1)=CC(=O)CC3)C)CCC4(C5(CCC42)OC(CC5)=O)C",{"$nulls":4},416.2021305040008,"?"]
[57,"CC(=O)OCC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[CH]3[CH](O)C[C]12C","52-21-1","CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O",{"$nulls":4},402.20423868000086,"?"]
[58,"S=[P](N1CC1)(N2CC2)N3CC3","52-24-4","S=P(N1CC1)(N1CC1)N1CC1","S=P(N1CC1)(N2CC2)N3CC3",{"$nulls":4},189.04895501399997,"?"]
[59,"CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2","52-31-3","CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCC2",{"$nulls":4},236.116092372,"?"]
[60,"C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[CH](C(=O)CO)[C]4(C[CH](O)[CH]23)C=O","52-39-1","CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C=O)C(C(=O)CO)CC4",{"$nulls":4},360.1936739960007,"?"]
[61,"C=CCC1(CC=C)C(=O)NC(=O)NC1=O","52-43-7","C=CCC1(CC=C)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CC=C",{"$nulls":4},208.084792244,"?"]
[62,"OCC(Br)(CO)[N+]([O-])=O","52-51-7","O=[N+]([O-])C(Br)(CO)CO","O=[N+]([O-])C(Br)(CO)CO",{"$nulls":4},198.948019772,"?"]
[63,"NC1(CCCC1)C(O)=O","52-52-8","NC1(C(=O)O)CCCC1","NC1(CCCC1)C(=O)O",{"$nulls":4},129.078978592,"?"]
[64,"CC(C)(S)[CH](N)C(O)=O","52-67-5","CC(C)(S)C(N)C(=O)O","CC(C)(S)C(N)C(=O)O",{"$nulls":4},149.051049592,"?"]
[65,"CO[P](=O)(OC)C(O)C(Cl)(Cl)Cl","52-68-6","COP(=O)(OC)C(O)C(Cl)(Cl)Cl","COP(=O)(OC)C(O)C(Cl)(Cl)Cl",{"$nulls":4},255.92257840599999,"?"]
[66,"OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3","52-86-8","O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Cl)c3ccc(cc3)F",{"$nulls":4},375.1401348760007,"?"]
[67,"NC(CS)C(O)=O","52-90-4","NC(CS)C(=O)O","NC(CS)C(=O)O",{"$nulls":4},121.019749464,"?"]
[68,"C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)CO)[C]4(C)CC(=O)[CH]23","53-06-5","CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)=O)(C(CC4)(O)C(=O)CO)C",{"$nulls":4},360.19367399600077,"?"]
[69,"C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CCC2=O","53-16-7","CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2=O",{"$nulls":4},270.1619799440004,"?"]
[70,"ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl","53-19-0","Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)Cl",{"$nulls":4},317.95366104000027,"?"]
[71,"C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O","53-41-8","CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O",{"$nulls":4},290.22458020000084,"?"]
[72,"C[C]12CC[CH]3[CH](CC=C4C[CH](O)CC[C]34C)[CH]1CCC2=O","53-43-0","CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(=CC3)CC(O)CC4)C)CCC2=O",{"$nulls":4},288.2089301360008,"?"]
[73,"c1ccc2c(c1)ccc3cc4c(ccc5ccccc45)cc23","53-70-3","c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12","c1cc2c(cc1)c3c(cc2)cc4c5c(ccc4c3)cccc5",{"$nulls":4},278.1095504480004,"?"]
[74,"COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3","53-86-1","COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)c3ccc(cc3)Cl",{"$nulls":4},357.0767856720004,"?"]
[75,"CN1CCC[CH]1c2cccnc2","54-11-5","CN1CCCC1c1cccnc1","CN1C(CCC1)c2cnccc2",{"$nulls":4},162.115698448,"?"]
[76,"[Na+].Oc1ccccc1C([O-])=O","54-21-7","O=C([O-])c1ccccc1O","O=C(O)c1c(cccc1)O","[Na+]",{"$nulls":3},160.0136383,"Structure has been neutralized"]
[77,"N[S](=O)(=O)c1cc(C(O)=O)c(NCc2occc2)cc1Cl","54-31-9","NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl","NS(=O)(=O)c1c(cc(c(c1)C(=O)O)NCc2occc2)Cl",{"$nulls":4},330.0077201320003,"?"]
[78,"OCC1OC(CC1O)N2C=C(I)C(=O)NC2=O","54-42-2","O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1I","O=c1c(cn(c([nH]1)=O)C2OC(C(C2)O)CO)I",{"$nulls":4},353.9712694520003,"?"]
[79,"NNC(=O)c1ccncc1","54-85-3","NNC(=O)c1ccncc1","NNC(=O)c1ccncc1",{"$nulls":4},137.058911844,"?"]
[80,"CCN(CC)N=O","55-18-5","CCN(CC)N=O","CCN(CC)N=O",{"$nulls":4},102.07931294,"?"]
[81,"NC(=O)c1ccccc1","55-21-0","NC(=O)c1ccccc1","NC(=O)c1ccccc1",{"$nulls":4},121.052763844,"?"]
[82,"OC(=O)c1ccncc1","55-22-1",null,null,"OC(=O)c1ccncc1",{"$nulls":3},754.6805688960003,"?"]
[83,"CO[P](=S)(OC)Oc1ccc(SC)c(C)c1","55-38-9","COP(=S)(OC)Oc1ccc(SC)c(C)c1","COP(=S)(OC)Oc1cc(c(cc1)SC)C",{"$nulls":4},278.0200229700004,"?"]
[84,"NC(Nc1ccc(Cl)cc1)=NC(N)=NCCCCCCN=C(N)N=C(N)Nc2ccc(Cl)cc2","55-56-1","NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1)N=C(N)Nc1ccc(Cl)cc1","NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(cc1)Cl)N=C(N)Nc2ccc(cc2)Cl",{"$nulls":4},504.203196320001,"?"]
[85,"[O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O","55-63-0","O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]","O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]",{"$nulls":4},227.00257874000002,"?"]
[86,"CN(C)c1ccc(cc1)N=Nc2cccc(C)c2","55-80-1","Cc1cccc(N=Nc2ccc(N(C)C)cc2)c1","Cc1cc(ccc1)N=Nc2ccc(cc2)N(C)C",{"$nulls":4},239.14224754399999,"?"]
[87,"CC(C)O[P](F)(=O)OC(C)C","55-91-4","CC(C)OP(=O)(F)OC(C)C","CC(C)OP(=O)(F)OC(C)C",{"$nulls":4},184.066459158,"?"]
[88,"CC1=CC(=O)NC(=S)N1","56-04-2","Cc1cc(=O)[nH]c(=S)[nH]1","Cc1[nH]c([nH]c(c1)=O)=S",{"$nulls":4},142.020083812,"?"]
[89,"NCCCC(O)=O","56-12-2","NCCCC(=O)O","NCCCC(=O)O",{"$nulls":4},103.063328528,"?"]
[90,"ClC(Cl)(Cl)Cl","56-23-5","ClC(Cl)(Cl)Cl","ClC(Cl)(Cl)Cl",{"$nulls":4},151.87541072,"?"]
[91,"C[C]12[CH]3CC[CH](O3)[C]1(C)C(=O)OC2=O","56-25-7","CC12C(=O)OC(=O)C1(C)C1CCC2O1","CC12C(C(OC1=O)=O)(C)C3OC2CC3",{"$nulls":4},196.073558864,"?"]
[92,"CN1C(=O)NC(=O)C(C)(C1=O)C2=CCCCC2","56-29-1","CN1C(=O)NC(=O)C(C)(C2=CCCCC2)C1=O","CN1C(C(C(NC1=O)=O)(C)C=2CCCCC2)=O",{"$nulls":4},236.116092372,"?"]
[93,"CCCC[Sn](|[O]C(C)=O)(CCCC)CCCC","56-36-0",{"$nulls":7},""]
[94,"CCO[P](=S)(OCC)Oc1ccc(cc1)[N+]([O-])=O","56-38-2","CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1","CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},291.03303017800033,"?"]
[95,"NCC(O)=O","56-40-6","NCC(=O)O","NCC(=O)O",{"$nulls":4},75.0320284,"?"]
[96,"CC(N)C(O)=O","56-41-7","CC(N)C(=O)O","CC(N)C(=O)O",{"$nulls":4},89.047678464,"?"]
[97,"NC(CO)C(O)=O","56-45-1","NC(CO)C(=O)O","NC(CO)C(=O)O",{"$nulls":4},105.042593084,"?"]
[98,"CC(=O)OCC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C","56-47-3","CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CC(=O)OCC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",{"$nulls":4},372.2300595040009,"?"]
[99,"Cc1ccc2cc3c(ccc4ccccc34)c5CCc1c25","56-49-5","Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3","Cc1c2c3c(cc1)cc4c5c(ccc4c3CC2)cccc5",{"$nulls":4},268.12520051200033,"?"]
[100,"CCC(c1ccc(O)cc1)=C(CC)c2ccc(O)cc2","56-53-1","CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1","CCC(=C(CC)c1ccc(cc1)O)c2ccc(cc2)O",{"$nulls":4},268.14632988000034,"?"]
[101,"COc1ccc2nccc([CH](O)[CH]3C[CH]4CCN3C[CH]4C=C)c2c1","56-54-2","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",{"$nulls":4},324.1837780080007,"?"]
[102,"c1ccc2cc3c(ccc4ccccc34)cc2c1","56-55-3","c1ccc2cc3c(ccc4ccccc43)cc2c1","c1cc2c(cc1)cc3c4c(ccc3c2)cccc4",{"$nulls":4},228.093900384,"?"]
[103,"Nc1ncnc2n(cnc12)C3OC(CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C(O)C3O","56-65-5","Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O",{"$nulls":4},506.99574546200023,"?"]
[104,"NC(Cc1c[nH]c2ccc(O)cc12)C(O)=O","56-69-9","NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O","NC(Cc1c2c([nH]c1)ccc(O)c2)C(=O)O",{"$nulls":4},220.084792244,"?"]
[105,"CCO[P](=S)(OCC)Oc1ccc2C(=C(Cl)C(=O)Oc2c1)C","56-72-4","CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1","CCOP(=S)(OCC)Oc1cc2c(cc1)c(C)c(Cl)c(=O)o2",{"$nulls":4},362.01445892200036,"?"]
[106,"OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+]([O-])=O","56-75-7","O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl","O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)Cl",{"$nulls":4},322.0123268440003,"?"]
[107,"OCC(O)CO","56-81-5","OCC(O)CO","OCC(O)CO",{"$nulls":4},92.047344116,"?"]
[108,"OCC(O)C=O","56-82-6","O=CC(O)CO","O=CC(O)CO",{"$nulls":4},90.031694052,"?"]
[109,"NC(CC(O)=O)C(O)=O","56-84-8","NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O",{"$nulls":4},133.037507704,"?"]
[110,"N[CH](CCC(N)=O)C(O)=O","56-85-9","NC(=O)CCC(N)C(=O)O","NC(=O)CCC(N)C(=O)O",{"$nulls":4},146.06914218,"?"]
[111,"NC(CCC(O)=O)C(O)=O","56-86-0","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",{"$nulls":4},147.053157768,"?"]
[112,"NCCCCC(N)C(O)=O","56-87-1","NCCCCC(N)C(=O)O","NCCCCC(N)C(=O)O",{"$nulls":4},146.105527688,"?"]
[113,"N[CH](CSSC[CH](N)C(O)=O)C(O)=O","56-89-3","NC(CSSCC(N)C(=O)O)C(=O)O","NC(CSSCC(N)C(=O)O)C(=O)O",{"$nulls":4},240.023848864,"?"]
[114,"CN(CC(O)=O)C(N)=N","57-00-1","CN(CC(=O)O)C(=N)N","CN(CC(=O)O)C(=N)N",{"$nulls":4},131.069476528,"?"]
[115,"OCC(O)CO[P](O)(O)=O","57-03-4","O=P(O)(O)OCC(O)CO","O=P(O)(O)OCC(O)CO",{"$nulls":4},172.013674638,"?"]
[116,"C=CCN=C=S","57-06-7","C=CCN=C=S","C=CCN=C=S",{"$nulls":4},99.01427016,"?"]
[117,"CCCCCCCCCCCCCCCC(O)=O","57-10-3","CCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCC(=O)O",{"$nulls":4},256.240230264,"?"]
[118,"CCCCCCCCCCCCCCCCCC(O)=O","57-11-4","CCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCC(=O)O",{"$nulls":4},284.2715303920008,"?"]
[119,"NC(N)=O","57-13-6","NC(N)=O","NC(N)=O",{"$nulls":4},60.032362748,"?"]
[120,"CN(C)N","57-14-7","CN(C)N","CN(C)N",{"$nulls":4},60.06874825599999,"?"]
[121,"CC(C)(O)C(Cl)(Cl)Cl","57-15-8","CC(C)(O)C(Cl)(Cl)Cl","CC(C)(O)C(Cl)(Cl)Cl",{"$nulls":4},175.956247884,"?"]
[122,"O=C1C[CH]2OCC=C3CN4CC[C]56[CH]4C[CH]3[CH]2[CH]5N1c7ccccc67","57-24-9","O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46","O=C1N2c3c(C45CCN6CC7=CCOC(C1)C(C42)C7CC65)cccc3",{"$nulls":4},334.1681279440006,"?"]
[123,"O.O.O.O.O.CN1CC[C]23[CH]4Oc5c(O)ccc(C[CH]1[CH]2C=C[CH]4O)c35.O[S](O)(=O)=O","57-27-2","CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","OS(O)(=O)=O","O","O","O",473.15669643200056,"?","O"]
[124,"O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3","57-41-0","O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1","O=C1NC(C(N1)=O)(c2ccccc2)c3ccccc3",{"$nulls":4},252.089877624,"?"]
[125,"CCOC(=O)C1(CCN(C)CC1)c2ccccc2","57-42-1","CCOC(=O)C1(c2ccccc2)CCN(C)CC1","CCOC(=O)C1(CCN(CC1)C)c2ccccc2",{"$nulls":4},247.157228912,"?"]
[126,"CCC1(CCC(C)C)C(=O)NC(=O)NC1=O","57-43-2","CCC1(CCC(C)C)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)CCC(C)C",{"$nulls":4},226.131742436,"?"]
[127,"CCC1(CC)C(=O)NC(=O)NC1=O","57-44-3","CCC1(CC)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)CC",{"$nulls":4},184.084792244,"?"]
[128,"OC[CH](O)[CH](O)[CH](O)C(=O)CO","57-48-7","O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO",{"$nulls":4},180.063388104,"?"]
[129,"OC[CH]1O[CH](O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O","57-50-1","OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O",{"$nulls":4},342.11621152400056,"?"]
[130,"CCCC(C)(COC(N)=O)COC(N)=O","57-53-4","CCCC(C)(COC(N)=O)COC(N)=O","CCCC(C)(COC(N)=O)COC(N)=O",{"$nulls":4},218.126657056,"?"]
[131,"CC(O)CO","57-55-6","CC(O)CO","CC(O)CO",{"$nulls":4},76.052429496,"?"]
[132,"O=C1CCO1","57-57-8","O=C1CCO1","O=C1OCC1",{"$nulls":4},72.021129368,"?"]
[133,"[Cl-].CN(C)[CH]1[CH]2C[CH]3C(=C(O)c4c(O)ccc(Cl)c4[C]3(C)O)C(=O)[C]2(O)C(=O)C(=C(N)O)C1=O.[H+]","57-62-5","CN(C)C1C(=O)C(=C(N)O)C(=O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4Cl)(C)O)C2","[Cl-]","[H+]",null,null,514.0909710880005,"?"]
[134,"C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[C]2(O)C#C","57-63-6","C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C","C#CC1(C2(C(CC1)C3C(c4c(CC3)cc(O)cc4)CC2)C)O",{"$nulls":4},296.1776300080007,"?"]
[135,"NC(N)=N[S](=O)(=O)c1ccc(N)cc1","57-67-0","NC(N)=NS(=O)(=O)c1ccc(N)cc1","NC(N)=NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},214.05244656,"?"]
[136,"Cc1cc(C)nc(N[S](=O)(=O)c2ccc(N)cc2)n1","57-68-1","Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(nc(c1)C)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},278.0837466880004,"?"]
[137,"ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl","57-74-9","ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl",{"$nulls":4},405.79777163200015,"?"]
[138,"CC(=O)[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C","57-83-0","CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",{"$nulls":4},314.22458020000084,"?"]
[139,"CCC(=O)O[CH]1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C","57-85-2","CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C","CCC(=O)OC1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",{"$nulls":4},344.2351448840009,"?"]
[140,"CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C","57-88-5","CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C","CC(C)CCCC(C)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C",{"$nulls":4},386.3548660920013,"?"]
[141,"C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[CH]2O","57-91-0","CC12CCC3c4ccc(O)cc4CCC3C1CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O",{"$nulls":4},272.17763000800045,"?"]
[142,"Cc1c2ccccc2c(C)c3c4ccccc4ccc13","57-97-6","Cc1c2ccccc2c(C)c2c1ccc1ccccc12","Cc1c2c(c(c3c1cccc3)C)c4c(cc2)cccc4",{"$nulls":4},256.125200512,"?"]
[143,null,"58-00-4",{"$nulls":7},""]
[144,"Cn1cnc2N(C)C(=O)N(C)C(=O)c12","58-08-2","Cn1c(=O)c2c(ncn2C)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)C)C)=O",{"$nulls":4},194.08037556,"?"]
[145,"CN(C)C1=C(C)N(C)N(c2ccccc2)C1=O","58-15-1","Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1N(C)C)=O)-c2ccccc2)C",{"$nulls":4},231.137162164,"?"]
[146,"C[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C","58-18-4","CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(C)O","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C(CC4)(C)O)C",{"$nulls":4},302.22458020000084,"?"]
[147,"C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2O","58-22-0","CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(O)CC4",{"$nulls":4},288.2089301360008,"?"]
[148,"CN=C1CN(O)C(=C2C=C(Cl)C=CC2=N1)c3ccccc3","58-25-3","CN=C1CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1","CN=C1N=c2c(=C(N(C1)O)c3ccccc3)cc(Cl)cc2",{"$nulls":4},299.0825397480004,"?"]
[149,"CC1=CC(=O)c2ccccc2C1=O","58-27-5","CC1=CC(=O)c2ccccc2C1=O","CC=1C(c2c(C(C1)=O)cccc2)=O",{"$nulls":4},172.052429496,"?"]
[150,"CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1","58-38-8","CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1","CN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",{"$nulls":4},373.13794644800066,"?"]
[151,"OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1","58-39-9","OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",{"$nulls":4},403.1485111320007,"?"]
[152,"CN(C)CCCN1c2ccccc2Sc3ccccc13","58-40-2","CN(C)CCCN1c2ccccc2Sc2ccccc21","CN(C)CCCN1c2c(Sc3c1cccc3)cccc2",{"$nulls":4},284.1347196400005,"?"]
[153,"CN1C(=O)N(C)c2nc[nH]c2C1=O","58-55-9","Cn1c(=O)c2[nH]cnc2n(C)c1=O","Cn1c(n(c2c(c1=O)[nH]cn2)C)=O",{"$nulls":4},180.064725496,"?"]
[154,"[H+].[Cl-].Cc1ncc(CO)c(CO)c1O","58-56-0","Cc1ncc(CO)c(CO)c1O","Cc1c(c(c(cn1)CO)CO)O","[Cl-]","[H+]",null,null,205.050570924,"?"]
[155,"OCC1OC(C(O)C1O)n2cnc3C(=O)N=CNc23","58-63-9","O=c1nc[nH]c2c1ncn2C1OC(CO)C(O)C1O","O=c1c2c([nH]cn1)n(cn2)C3C(C(C(O3)CO)O)O",{"$nulls":4},268.0807694840003,"?"]
[156,"CN(C)CCOC(c1ccccc1)c2ccccc2","58-73-1","CN(C)CCOC(c1ccccc1)c1ccccc1","CN(C)CCOC(c1ccccc1)c2ccccc2",{"$nulls":4},255.162314292,"?"]
[157,"COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC","58-74-2","COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC","COc1c(cc(cc1)Cc2c3c(ccn2)cc(OC)c(OC)c3)OC",{"$nulls":4},339.14705815200057,"?"]
[158,"OC1COC(O)C(O)C1O","58-86-6","OC1COC(O)C(O)C1O","OC1C(C(C(OC1)O)O)O",{"$nulls":4},150.05282342,"?"]
[159,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","58-89-9","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},287.86006627200015,"?"]
[160,"Oc1c(Cl)cc(Cl)c(Cl)c1Cl","58-90-2","Oc1c(Cl)cc(Cl)c(Cl)c1Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cl",{"$nulls":4},229.885975404,"?"]
[161,"N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1Cl","58-93-5","NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)Cl",{"$nulls":4},296.96447541600025,"?"]
[162,"N[S](=O)(=O)c1cc2c(NC=N[S]2(=O)=O)cc1Cl","58-94-6","NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)Cl",{"$nulls":4},294.9488253520002,"?"]
[163,"OCC1OC(O)C(O)C(O)C1O","59-23-4","OCC1OC(O)C(O)C(O)C1O","OCC1C(C(C(C(O1)O)O)O)O",{"$nulls":4},180.063388104,"?"]
[164,"CCN(CC)C(=O)c1cccnc1","59-26-7","CCN(CC)C(=O)c1cccnc1","CCN(CC)C(=O)c1cnccc1",{"$nulls":4},178.110613068,"?"]
[165,"O=C1Nc2ccccc2C=C1","59-31-4","O=c1ccc2ccccc2[nH]1","O=c1[nH]c2c(cc1)cccc2",{"$nulls":4},145.052763844,"?"]
[166,"Nc1ccc(cc1)[S](=O)(=O)Nc2cnc3ccccc3n2","59-40-5","Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nc3c(nc2)cccc3",{"$nulls":4},300.06809662400036,"?"]
[167,"[Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1","59-43-8","Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1","Cc1nc(c(cn1)C[n+]2c(c(sc2)CCO)C)N","[Cl-]",{"$nulls":3},300.08115984400024,"?"]
[168,"CCN(CC)CCOC(=O)c1ccc(N)cc1","59-46-1","CCN(CC)CCOC(=O)c1ccc(N)cc1","CCN(CC)CCOC(=O)c1ccc(cc1)N",{"$nulls":4},236.15247788,"?"]
[169,"Cc1ccccc1OCC(O)CO","59-47-2","Cc1ccccc1OCC(O)CO","Cc1c(cccc1)OCC(O)CO",{"$nulls":4},182.094294308,"?"]
[170,"Cc1cc(O)ccc1Cl","59-50-7","Cc1cc(O)ccc1Cl","Cc1c(ccc(c1)O)Cl",{"$nulls":4},142.018542524,"?"]
[171,"CSCCC(N)C(O)=O","59-51-8","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O",{"$nulls":4},149.051049592,"?"]
[172,"OCC(S)CS","59-52-9","OCC(S)CS","OCC(S)CS",{"$nulls":4},124.001656876,"?"]
[173,"OCC1OC(O[P](O)(O)=O)C(O)C(O)C1O","59-56-3","O=P(O)(O)OC1OC(CO)C(O)C(O)C1O","O=P(O)(O)OC1C(C(C(C(O1)CO)O)O)O",{"$nulls":4},260.0297186260001,"?"]
[174,"CC(=O)Nc1sc(nn1)[S](N)(=O)=O","59-66-5","CC(=O)Nc1nnc(S(N)(=O)=O)s1","CC(=O)Nc1sc(nn1)S(N)(=O)=O",{"$nulls":4},221.988132052,"?"]
[175,"OC(=O)c1cccnc1","59-67-6",null,null,"OC(=O)c1cccnc1",{"$nulls":3},580.8169353080002,"?"]
[176,"O=NN1CCOCC1","59-89-2","O=NN1CCOCC1","O=NN1CCOCC1",{"$nulls":4},116.058577496,"?"]
[177,"NC(Cc1ccc(O)c(O)c1)C(O)=O","59-92-7","NC(Cc1ccc(O)c(O)c1)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O",{"$nulls":4},197.068807832,"?"]
[178,"OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O","60-00-4","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O",{"$nulls":4},292.0906654720004,"?"]
[179,"CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC","60-01-5","CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC","CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC",{"$nulls":4},302.17293855200074,"?"]
[180,"Nc1ccc(cc1)N=Nc2ccccc2","60-09-3","Nc1ccc(N=Nc2ccccc2)cc1","Nc1ccc(cc1)N=Nc2ccccc2",{"$nulls":4},197.095297352,"?"]
[181,"CN(C)c1ccc(cc1)N=Nc2ccccc2","60-11-7","CN(C)c1ccc(N=Nc2ccccc2)cc1","CN(C)c1ccc(cc1)N=Nc2ccccc2",{"$nulls":4},225.12659748,"?"]
[182,"OCCc1ccccc1","60-12-8","OCCc1ccccc1","OCCc1ccccc1",{"$nulls":4},122.07316494,"?"]
[183,"NC(Cc1ccc(O)cc1)C(O)=O","60-18-4","NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",{"$nulls":4},181.073893212,"?"]
[184,"OCCS","60-24-2","OCCS","OCCS",{"$nulls":4},78.013935812,"?"]
[185,"CN1CC(=O)N=C1N","60-27-5","CN1CC(=O)N=C1N","CN1C(=NC(C1)=O)N",{"$nulls":4},113.058911844,"?"]
[186,"CCOCC","60-29-7","CCOCC","CCOCC",{"$nulls":4},74.07316494,"?"]
[187,"NCCCCCC(O)=O","60-32-2","NCCCCCC(=O)O","NCCCCCC(=O)O",{"$nulls":4},131.094628656,"?"]
[188,"CNN","60-34-4","CNN","CNN",{"$nulls":4},46.05309819199999,"?"]
[189,"CC(N)=O","60-35-5","CC(N)=O","CC(N)=O",{"$nulls":4},59.03711378,"?"]
[190,"CNC(=O)CS[P](=S)(OC)OC","60-51-5","CNC(=O)CSP(=S)(OC)OC","CNC(=O)CSP(=S)(OC)OC",{"$nulls":4},228.99962187399998,"?"]
[191,"CN(C)[CH]1[CH]2C[CH]3C(=C(O)c4c(O)cccc4[C]3(C)O)C(=O)[C]2(O)C(=O)C(=C(N)O)C1=O","60-54-8","CN(C)C1C(=O)C(=C(N)O)C(=O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3CC12","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4)(C)O)C2",{"$nulls":4},444.1532657280006,"?"]
[192,"ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl","60-57-1","ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl",{"$nulls":4},377.87063095600024,"?"]
[193,"CN1N(C(=O)C=C1C)c2ccccc2","60-80-0","Cc1cc(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1)=O)-c2ccccc2)C",{"$nulls":4},188.094963004,"?"]
[194,"Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1","60-82-2","O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O","O=C(CCc1ccc(cc1)O)c2c(cc(cc2O)O)O",{"$nulls":4},274.08412354800043,"?"]
[195,"CC(CN1c2ccccc2Sc3ccccc13)N(C)C","60-87-7","CC(CN1c2ccccc2Sc2ccccc21)N(C)C","CC(CN1c2c(Sc3c1cccc3)cccc2)N(C)C",{"$nulls":4},284.1347196400005,"?"]
[196,"[H+].[Cl-].CN1CCCC(C1)CN2c3ccccc3Sc4ccccc24","60-89-9","CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1","CN1CC(CCC1)CN2c3c(Sc4c2cccc4)cccc3","[Cl-]","[H+]",null,null,346.12704741600055,"?"]
[197,"COc1ccc2Sc3ccccc3N(C[CH](C)CN(C)C)c2c1","60-99-1","COc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2","COc1cc2c(cc1)Sc3c(N2CC(C)CN(C)C)cccc3",{"$nulls":4},328.16093438800067,"?"]
[198,"Nc1ncnc2n(cnc12)C3OC(CO[P](O)(O)=O)C(O)C3O","61-19-8","Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O",{"$nulls":4},347.0630844180003,"?"]
[199,"[O-][N+](=O)c1sc(nc1)N2CCNC2=O","61-57-4","O=C1NCCN1c1ncc([N+](=O)[O-])s1","O=C1N(CCN1)c2sc(cn2)[N+](=O)[O-]",{"$nulls":4},214.016061052,"?"]
[200,"Cc1cccc(Nc2ccccc2C(O)=O)c1C","61-68-7","Cc1cccc(Nc2ccccc2C(=O)O)c1C","Cc1c(c(ccc1)Nc2c(cccc2)C(=O)O)C",{"$nulls":4},241.11027872,"?"]
[201,"[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C","61-73-4","CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1","CN(C)c1cc2c(cc1)nc3c(cc(cc3)N(C)C)[s+]2","[Cl-]",{"$nulls":3},319.0909962560005,"?"]
[202,"Nc1[nH]ncn1","61-82-5","Nc1ncn[nH]1","Nc1[nH]ncn1",{"$nulls":4},84.04359612799999,"?"]
[203,"CC(C)CC(N)C(O)=O","61-90-5","CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[204,"OC(=O)c1ccc(cc1)[N+]([O-])=O","62-23-7","O=C(O)c1ccc([N+](=O)[O-])cc1","O=C(O)c1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},167.02185764,"?"]
[205,"[Cl-].COC(C[Hg+])CNC(N)=O","62-37-3","COC(C[Hg+])CNC(N)=O","COC(C[Hg+])CNC(N)=O","[Cl-]",{"$nulls":3},368.02154827200036,"Errors in neutralization"]
[206,"CC(=O)O[Hg]c1ccccc1","62-38-4","CC(=O)O[Hg]c1ccccc1","CC(=O)O[Hg]c1ccccc1",{"$nulls":4},338.0230724960002,"?"]
[207,"CCOc1ccc(NC(C)=O)cc1","62-44-2","CCOc1ccc(NC(C)=O)cc1","CCOc1ccc(cc1)NC(C)=O",{"$nulls":4},179.094628656,"?"]
[208,"Nc1ccccc1","62-53-3","Nc1ccccc1","Nc1ccccc1",{"$nulls":4},93.057849224,"?"]
[209,"CC(N)=S","62-55-5","CC(N)=S","CC(N)=S",{"$nulls":4},75.01427016,"?"]
[210,"NC(N)=S","62-56-6","NC(N)=S","NC(N)=S",{"$nulls":4},76.009519128,"?"]
[211,"CC(C)(N)C(O)=O","62-57-7","CC(C)(N)C(=O)O","CC(C)(N)C(=O)O",{"$nulls":4},103.063328528,"?"]
[212,"CC=C(C)C(=O)O[CH]1CC[C]2(C)[CH]3CC[CH]4[C]5(O)C[CH](O)[C]6(O)[CH](CN7C[CH](C)CC[CH]7[C]6(C)O)[C]5(O)C[C]24O[C]13O","62-59-9","CC=C(C)C(=O)OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(C)O)C5(O)CC42OC13O","CC=C(C)C(=O)OC1C2(C3C(CC1)(C4(C(CC3)C5(C(C6C(C(C5)O)(C(C7N(C6)CC(C)CC7)(C)O)O)(O)C4)O)O2)C)O",{"$nulls":4},591.3407321480014,"?"]
[213,"CO[P](=O)(OC)OC=C(Cl)Cl","62-73-7","COP(=O)(OC)OC=C(Cl)Cl","COP(=O)(OC)OC=C(Cl)Cl",{"$nulls":4},219.94590069400002,"?"]
[214,"[Na+].[O-]C(=O)CF","62-74-8","O=C([O-])CF","O=C(O)CF","[Na+]",{"$nulls":3},99.99365180400001,"Structure has been neutralized"]
[215,"CN(C)N=O","62-75-9","CN(C)N=O","CN(C)N=O",{"$nulls":4},74.048012812,"?"]
[216,"C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CCC2=O","63-05-8","CC12CCC3C(CCC4=CC(=O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)=CC(=O)CC4)C)CCC2=O",{"$nulls":4},286.19328007200073,"?"]
[217,"CNC(=O)Oc1cccc2ccccc12","63-25-2","CNC(=O)Oc1cccc2ccccc12","CNC(=O)Oc1c2c(ccc1)cccc2",{"$nulls":4},201.078978592,"?"]
[218,"OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O","63-42-3","OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",{"$nulls":4},342.11621152400056,"?"]
[219,"CSCCC(N)C(O)=O","63-68-3","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O",{"$nulls":4},149.051049592,"?"]
[220,"Nc1ccc(cc1)[S](N)(=O)=O","63-74-1","Nc1ccc(S(N)(=O)=O)cc1","Nc1ccc(cc1)S(N)(=O)=O",{"$nulls":4},172.030648496,"?"]
[221,"COC(=O)C1=CCCN(C)C1","63-75-2","COC(=O)C1=CCCN(C)C1","COC(=O)C=1CN(CCC1)C",{"$nulls":4},155.094628656,"?"]
[222,"NC(Cc1ccccc1)C(O)=O","63-91-2","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",{"$nulls":4},165.078978592,"?"]
[223,"CNC(=O)Oc1cccc(c1)C(C)C","64-00-6","CNC(=O)Oc1cccc(C(C)C)c1","CNC(=O)Oc1cc(ccc1)C(C)C",{"$nulls":4},193.11027872,"?"]
[224,"[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O","64-02-8","O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O","[Na+]","[Na+]","[Na+]","[Na+]",380.0184424640003,"Structure has been neutralized"]
[225,"CCO","64-17-5","CCO","CCO",{"$nulls":4},46.041864812,"?"]
[226,"OC=O","64-18-6","O=CO","O=CO",{"$nulls":4},46.005479304,"?"]
[227,"CC(O)=O","64-19-7","CC(=O)O","CC(=O)O",{"$nulls":4},60.021129368000004,"?"]
[228,"C[NH+]1CC[C]23C4Oc5c(O)ccc(C[CH]1[CH]2C=C[CH]4O)c35.C[NH+]6CC[C]78C9Oc%10c(O)ccc(C[CH]6[CH]7C=C[CH]9O)c8%10.[O-][S]([O-])(=O)=O","64-31-3","C[NH+]1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","C[NH+]1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35","[O-]S([O-])(=O)=O",null,null,668.2403664800012,"Structure has been neutralized"]
[229,"CCC(C)C(C)(COC(N)=O)COC(N)=O","64-55-1","CCC(C)C(C)(COC(N)=O)COC(N)=O","CCC(C)C(C)(COC(N)=O)COC(N)=O",{"$nulls":4},232.14230712,"?"]
[230,"CCO[S](=O)(=O)OCC","64-67-5","CCOS(=O)(=O)OCC","CCOS(=O)(=O)OCC",{"$nulls":4},154.0299798,"?"]
[231,"CCCCNC(=O)N[S](=O)(=O)c1ccc(C)cc1","64-77-7","CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C",{"$nulls":4},270.1038134360004,"?"]
[232,"C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2C(=O)CO","64-85-7","CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(C(=O)CO)CC4",{"$nulls":4},330.2194948200008,"?"]
[233,"COC1=CC=C2C(=CC1=O)[CH](CCc3cc(OC)c(OC)c(OC)c23)NC(C)=O","64-86-8","COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2","COc1c(c(c-2c(c1)CCC(c3c2ccc(OC)c(=O)c3)NC(C)=O)OC)OC",{"$nulls":4},399.1681875200007,"?"]
[234,"[H+].[Cl-].Cc1ncc(CO)c(C=O)c1O","65-22-5","Cc1ncc(CO)c(C=O)c1O","Cc1c(c(c(cn1)CO)C=O)O","[Cl-]","[H+]",null,null,203.03492086,"?"]
[235,"NC(=O)c1ccccc1O","65-45-2","NC(=O)c1ccccc1O","NC(=O)c1c(cccc1)O",{"$nulls":4},137.047678464,"?"]
[236,"Nc1ccc(C(O)=O)c(O)c1","65-49-6","Nc1ccc(C(=O)O)c(O)c1","Nc1cc(c(cc1)C(=O)O)O",{"$nulls":4},153.042593084,"?"]
[237,"CC1=CNC(=O)NC1=O","65-71-4","Cc1c[nH]c(=O)[nH]c1=O","Cc1c([nH]c([nH]c1)=O)=O",{"$nulls":4},126.042927432,"?"]
[238,"CSCCC(NC(C)=O)C(O)=O","65-82-7","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",{"$nulls":4},191.061614276,"?"]
[239,"OC(=O)c1ccccc1","65-85-0","O=C(O)c1ccccc1","O=C(O)c1ccccc1",{"$nulls":4},122.036779432,"?"]
[240,"OC(=O)C1=CC(=O)NC(=O)N1","65-86-1","O=C(O)c1cc(=O)[nH]c(=O)[nH]1","O=C(O)c1[nH]c([nH]c(c1)=O)=O",{"$nulls":4},156.017106608,"?"]
[241,"N[CH](Cc1cc(I)c(O)c(I)c1)C(O)=O","66-02-4","NC(Cc1cc(I)c(O)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O",{"$nulls":4},432.8671891480002,"?"]
[242,"O=C1NC=CC(=O)N1","66-22-8","O=c1cc[nH]c(=O)[nH]1","O=c1[nH]c([nH]cc1)=O",{"$nulls":4},112.027277368,"?"]
[243,"CCCCCC=O","66-25-1","CCCCCC=O","CCCCCC=O",{"$nulls":4},100.088815004,"?"]
[244,"c1cnc2c(c1)ccc3cccnc23","66-71-7","c1cnc2c(c1)ccc1cccnc12","c1cc2c(nc1)c3c(cc2)cccn3",{"$nulls":4},180.068748256,"?"]
[245,"Cc1ncc(CO)c(C=O)c1O","66-72-8","Cc1ncc(CO)c(C=O)c1O","Cc1c(c(c(cn1)CO)C=O)O",{"$nulls":4},167.058243148,"?"]
[246,"C[CH]1C[CH](C)C(=O)[CH](C1)[CH](O)CC2CC(=O)NC(=O)C2","66-81-9","CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1","CC1CC(C(C(C1)C)=O)C(O)CC2CC(NC(C2)=O)=O",{"$nulls":4},281.1627082160006,"?"]
[247,"Cc1ncc(CN(C=O)C(C)=C(CCO)SSC(CCO)=C(C)N(Cc2cnc(C)nc2N)C=O)c(N)n1","67-16-3","CC(=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N","CC(=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1c(nc(nc1)C)N)N(C=O)Cc2c(nc(nc2)C)N",{"$nulls":4},562.214443568001,"?"]
[248,"[O-][N+](=O)c1oc(cc1)C=NN2CC(=O)NC2=O","67-20-9","O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1","O=C1NC(N(C1)N=Cc2oc(cc2)[N+](=O)[O-])=O",{"$nulls":4},238.033819292,"?"]
[249,"CC(=O)NN=Cc1oc(cc1)[N+]([O-])=O","67-28-7","CC(=O)NN=Cc1ccc([N+](=O)[O-])o1","CC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]",{"$nulls":4},197.043655704,"?"]
[250,"CO","67-56-1","CO","CO",{"$nulls":4},32.026214748,"?"]
[251,"CC(C)O","67-63-0","CC(C)O","CC(C)O",{"$nulls":4},60.057514876,"?"]
[252,"CC(C)=O","67-64-1","CC(C)=O","CC(C)=O",{"$nulls":4},58.041864812,"?"]
[253,"ClC(Cl)Cl","67-66-3","ClC(Cl)Cl","ClC(Cl)Cl",{"$nulls":4},117.91438307199999,"?"]
[254,"C[S](C)=O","67-68-5","CS(C)=O","CS(C)=O",{"$nulls":4},78.013935812,"?"]
[255,"ClC(Cl)(Cl)C(Cl)(Cl)Cl","67-72-1","ClC(Cl)(Cl)C(Cl)(Cl)Cl","ClC(Cl)(Cl)C(Cl)(Cl)Cl",{"$nulls":4},233.81311608,"?"]
[256,"CC(=O)OCC(=O)[C]1(O)[CH](C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]12C)OC(C)=O","67-78-7","CC(=O)OCC(=O)C1(O)C(OC(C)=O)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1OC(C)=O)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O",{"$nulls":4},478.20029617200083,"?"]
[257,"CN1C(=O)[C]23CC4=CC=C[CH](O)[CH]4N2C(=O)[C]1(CO)SS3","67-99-2","CN1C(=O)C23CC4=CC=CC(O)C4N2C(=O)C1(CO)SS3","CN1C2(C(N3C(C1=O)(SS2)CC=4C3C(C=CC4)O)=O)CO",{"$nulls":4},326.0394989280004,"?"]
[258,"OC(=O)CS","68-11-1","O=C(O)CS","O=C(O)CS",{"$nulls":4},91.993200368,"?"]
[259,"CN(C)C=O","68-12-2","CN(C)C=O","CN(C)C=O",{"$nulls":4},73.052763844,"?"]
[260,null,"68-19-9",{"$nulls":7},""]
[261,"C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[C]2(O)C#C","68-22-4","C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)O",{"$nulls":4},298.19328007200073,"?"]
[262,"Nc1ccc(cc1)[S](=O)(=O)Nc2ncccn2","68-35-9","Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",{"$nulls":4},250.05244656,"?"]
[263,"O=C1N=CNc2nc[nH]c12","68-94-0","O=c1nc[nH]c2nc[nH]c12","O=c1c2c([nH]cn1)nc[nH]2",{"$nulls":4},136.038510748,"?"]
[264,"CC(=O)[C]1(O)CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3CC[C]12C","68-96-2","CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O",{"$nulls":4},330.2194948200008,"?"]
[265,"OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1","69-23-8","OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3",{"$nulls":4},437.1748681120007,"?"]
[266,"Nc1ncnc2n(ccc12)C3OC(CO)C(O)C3O","69-33-0","Nc1ncnc2c1ccn2C1OC(CO)C(O)C1O","Nc1c2c(ncn1)n(cc2)C3C(C(C(O3)CO)O)O",{"$nulls":4},266.1015049280003,"?"]
[267,"CC1(C)S[CH]2[CH](NC(=O)[CH](N)c3ccccc3)C(=O)N2[CH]1C(O)=O","69-53-4","CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O","CC1(C(N2C(S1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O)C",{"$nulls":4},349.1096270880005,"?"]
[268,"OCC(O)C(O)C(O)C(O)CO","69-65-8","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",{"$nulls":4},182.079038168,"?"]
[269,"OC(=O)c1ccccc1O","69-72-7","O=C(O)c1ccccc1O","O=C(O)c1c(cccc1)O",{"$nulls":4},138.031694052,"?"]
[270,"OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O","69-79-4","OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",{"$nulls":4},342.11621152400056,"?"]
[271,"O=C1NC(=O)c2[nH]cnc2N1","69-89-6","O=c1[nH]c(=O)c2[nH]cnc2[nH]1","O=c1[nH]c2c(c([nH]1)=O)[nH]cn2",{"$nulls":4},152.033425368,"?"]
[272,"O=C1NC(=O)C2=C(N1)NC(=O)N2","69-93-2","O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1","O=c1[nH]c2c(c([nH]1)=O)[nH]c(=O)[nH]2",{"$nulls":4},168.028339988,"?"]
[273,"Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl","70-30-4","Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cc2c(c(cc(c2O)Cl)Cl)Cl",{"$nulls":4},403.84989551200016,"?"]
[274,"[O-][N+](=O)c1ccc(F)c(c1)[N+]([O-])=O","70-34-8","O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)F)[N+](=O)[O-]",{"$nulls":4},186.007684796,"?"]
[275,"NC(CC(N)=O)C(O)=O","70-47-3","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O",{"$nulls":4},132.053492116,"?"]
[276,"OC(=O)CC(S)C(O)=O","70-49-5","O=C(O)CC(S)C(=O)O","O=C(O)CC(S)C(=O)O",{"$nulls":4},149.998679672,"?"]
[277,"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","70-51-9","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN",{"$nulls":4},560.3533624960013,"?"]
[278,"Cc1ccc(cc1)[S](N)(=O)=O","70-55-3","Cc1ccc(S(N)(=O)=O)cc1","Cc1ccc(cc1)S(N)(=O)=O",{"$nulls":4},171.035399528,"?"]
[279,"CCC(=O)c1ccc(N)cc1","70-69-9","CCC(=O)c1ccc(N)cc1","CCC(=O)c1ccc(cc1)N",{"$nulls":4},149.084063972,"?"]
[280,"CCC(=O)c1ccc(O)cc1","70-70-2","CCC(=O)c1ccc(O)cc1","CCC(=O)c1ccc(cc1)O",{"$nulls":4},150.06807956,"?"]
[281,"NC(Cc1[nH]cnc1)C(O)=O","71-00-1","NC(Cc1cnc[nH]1)C(=O)O","NC(Cc1[nH]cnc1)C(=O)O",{"$nulls":4},155.069476528,"?"]
[282,"CCCO","71-23-8","CCCO","CCCO",{"$nulls":4},60.057514876,"?"]
[283,"NC1=CC=NC(=O)N1","71-30-7","Nc1ccnc(=O)[nH]1","Nc1[nH]c(ncc1)=O",{"$nulls":4},111.04326178,"?"]
[284,"CCCCO","71-36-3","CCCCO","CCCCO",{"$nulls":4},74.07316494,"?"]
[285,"CCCCCO","71-41-0","CCCCCO","CCCCCO",{"$nulls":4},88.088815004,"?"]
[286,"c1ccccc1","71-43-2","c1ccccc1","c1ccccc1",{"$nulls":4},78.046950192,"?"]
[287,"CC(Cl)(Cl)Cl","71-55-6","CC(Cl)(Cl)Cl","CC(Cl)(Cl)Cl",{"$nulls":4},131.930033136,"?"]
[288,"C[CH]1O[CH](C[CH](O)[CH]1O)O[CH]2[CH](O)C[CH](O[CH]2C)O[CH]3[CH](O)C[CH](O[CH]3C)O[CH]4CC[C]5(C)[CH](CC[CH]6[CH]5CC[C]7(C)[CH](CC[C]67O)C8=CC(=O)OC8)C4","71-63-6","CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(CC6)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O",{"$nulls":4},764.4346921080017,"?"]
[289,"Nc1ccc(cc1)[S](=O)(=O)Nc2sccn2","72-14-0","Nc1ccc(S(=O)(=O)Nc2nccs2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2sccn2",{"$nulls":4},255.013618528,"?"]
[290,"[Na+].CC(O)C([O-])=O","72-17-3","CC(O)C(=O)[O-]","CC(O)C(=O)O","[Na+]",{"$nulls":3},112.01363830000001,"Structure has been neutralized"]
[291,"CC(C)C(N)C(O)=O","72-18-4","CC(C)C(N)C(=O)O","CC(C)C(N)C(=O)O",{"$nulls":4},117.078978592,"?"]
[292,"CC(O)C(N)C(O)=O","72-19-5","CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O",{"$nulls":4},119.058243148,"?"]
[293,"ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl","72-20-8","ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl",{"$nulls":4},377.87063095600024,"?"]
[294,"COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl","72-43-5","COc1ccc(C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1","COc1ccc(cc1)C(c2ccc(cc2)OC)C(Cl)(Cl)Cl",{"$nulls":4},344.0137627600004,"?"]
[295,"Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O","72-48-0","O=C1c2ccccc2C(=O)c2c1ccc(O)c2O","O=C1c2c(C(c3c1cccc3)=O)c(c(cc2)O)O",{"$nulls":4},240.042258736,"?"]
[296,"ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2","72-54-8","Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)Cl)cc1","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)Cl",{"$nulls":4},317.95366104000027,"?"]
[297,"Clc1ccc(cc1)C(=C(Cl)Cl)c2ccc(Cl)cc2","72-55-9","ClC(Cl)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1","ClC(Cl)=C(c1ccc(cc1)Cl)c2ccc(cc2)Cl",{"$nulls":4},315.9380109760002,"?"]
[298,"CCc1ccc(cc1)C(C(Cl)Cl)c2ccc(CC)cc2","72-56-0","CCc1ccc(C(c2ccc(CC)cc2)C(Cl)Cl)cc1","CCc1ccc(cc1)C(c2ccc(cc2)CC)C(Cl)Cl",{"$nulls":4},306.09420600000055,"?"]
[299,"NC(Cc1c[nH]c2ccccc12)C(O)=O","73-22-3","NC(Cc1c[nH]c2ccccc12)C(=O)O","NC(Cc1c2c([nH]c1)cccc2)C(=O)O",{"$nulls":4},204.089877624,"?"]
[300,"Nc1ncnc2nc[nH]c12","73-24-5","Nc1ncnc2nc[nH]c12","Nc1c2c(ncn1)nc[nH]2",{"$nulls":4},135.05449516,"?"]
[301,"CC[CH](C)[CH](N)C(O)=O","73-32-5","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[302,"NC1=NC(=O)c2[nH]cnc2N1","73-40-5","Nc1nc(=O)c2[nH]cnc2[nH]1","Nc1[nH]c2c(c(n1)=O)[nH]cn2",{"$nulls":4},151.04940978,"?"]
[303,"N[S](=O)(=O)c1cc2c(NC(Cc3ccccc3)N[S]2(=O)=O)cc1C(F)(F)F","73-48-3","NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)Cc3ccccc3)(=O)=O)C(F)(F)F",{"$nulls":4},421.03778258800037,"?"]
[304,"CCC1NC(=O)c2cc(c(Cl)cc2N1)[S](N)(=O)=O","73-49-4","CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1","CCC1Nc2c(C(N1)=O)cc(S(N)(=O)=O)c(Cl)c2",{"$nulls":4},289.0287899240003,"?"]
[305,"OC(=O)c1ccc(Cl)cc1","74-11-3","O=C(O)c1ccc(Cl)cc1","O=C(O)c1ccc(cc1)Cl",{"$nulls":4},155.99780708,"?"]
[306,"NC(CCCN=C(N)N)C(O)=O","74-79-3","NC(N)=NCCCC(N)C(=O)O","NC(N)=NCCCC(N)C(=O)O",{"$nulls":4},174.111675688,"?"]
[307,"C","74-82-8","C","C",{"$nulls":4},16.031300127999998,"?"]
[308,"CBr","74-83-9","CBr","CBr",{"$nulls":4},93.941812196,"?"]
[309,"CC","74-84-0","CC","CC",{"$nulls":4},30.046950191999997,"?"]
[310,"C=C","74-85-1","C=C","C=C",{"$nulls":4},28.031300127999998,"?"]
[311,"C#C","74-86-2","C#C","C#C",{"$nulls":4},26.015650064,"?"]
[312,"CCl","74-87-3","CCl","CCl",{"$nulls":4},49.992327775999996,"?"]
[313,"CI","74-88-4","CI","CI",{"$nulls":4},141.927948096,"?"]
[314,"CN","74-89-5","CN","CN",{"$nulls":4},31.042199159999996,"?"]
[315,"C#N","74-90-8","C#N","C#N",{"$nulls":4},27.010899031999998,"?"]
[316,"CS","74-93-1","CS","CS",{"$nulls":4},48.003371128,"?"]
[317,"BrCBr","74-95-3","BrCBr","BrCBr",{"$nulls":4},171.852324264,"?"]
[318,"CCBr","74-96-4","CCBr","CCBr",{"$nulls":4},107.95746226,"?"]
[319,"ClCBr","74-97-5","ClCBr","ClCBr",{"$nulls":4},127.902839844,"?"]
[320,"CCC","74-98-6","CCC","CCC",{"$nulls":4},44.062600255999996,"?"]
[321,"CC#C","74-99-7","C#CC","C#CC",{"$nulls":4},40.031300128,"?"]
[322,"CCCl","75-00-3","CCCl","CCCl",{"$nulls":4},64.00797784,"?"]
[323,"ClC=C","75-01-4","C=CCl","C=CCl",{"$nulls":4},61.992327775999996,"?"]
[324,"CCI","75-03-6","CCI","CCI",{"$nulls":4},155.94359816,"?"]
[325,"CCN","75-04-7","CCN","CCN",{"$nulls":4},45.057849223999995,"?"]
[326,"CC#N","75-05-8","CC#N","CC#N",{"$nulls":4},41.026549096,"?"]
[327,"CC=O","75-07-0","CC=O","CC=O",{"$nulls":4},44.026214748,"?"]
[328,"CCS","75-08-1","CCS","CCS",{"$nulls":4},62.019021192,"?"]
[329,"ClCCl","75-09-2","ClCCl","ClCCl",{"$nulls":4},83.953355424,"?"]
[330,"ICI","75-11-6","ICI","ICI",{"$nulls":4},267.82459606400005,"?"]
[331,"NC=O","75-12-7","NC=O","NC=O",{"$nulls":4},45.021463716,"?"]
[332,"S=C=S","75-15-0","S=C=S","S=C=S",{"$nulls":4},75.944142,"?"]
[333,"ON=C","75-17-2","C=NO","C=NO",{"$nulls":4},45.021463716,"?"]
[334,"CSC","75-18-3","CSC","CSC",{"$nulls":4},62.019021192,"?"]
[335,"C1CC1","75-19-4","C1CC1","C1CC1",{"$nulls":4},42.046950192,"?"]
[336,"C1CO1","75-21-8","C1CO1","C1OC1",{"$nulls":4},44.026214748,"?"]
[337,"BrC(Br)Br","75-25-2","BrC(Br)Br","BrC(Br)Br",{"$nulls":4},249.762836332,"?"]
[338,"CC(C)Br","75-26-3","CC(C)Br","CC(C)Br",{"$nulls":4},121.973112324,"?"]
[339,"ClC(Cl)Br","75-27-4","ClC(Cl)Br","ClC(Cl)Br",{"$nulls":4},161.863867492,"?"]
[340,"CC(C)C","75-28-5","CC(C)C","CC(C)C",{"$nulls":4},58.078250319999995,"?"]
[341,"CC(C)Cl","75-29-6","CC(C)Cl","CC(C)Cl",{"$nulls":4},78.023627904,"?"]
[342,"CC(C)I","75-30-9","CC(C)I","CC(C)I",{"$nulls":4},169.959248224,"?"]
[343,"CC(C)N","75-31-0","CC(C)N","CC(C)N",{"$nulls":4},59.073499287999994,"?"]
[344,"CC(Cl)Cl","75-34-3","CC(Cl)Cl","CC(Cl)Cl",{"$nulls":4},97.969005488,"?"]
[345,"ClC(Cl)=C","75-35-4","C=C(Cl)Cl","C=C(Cl)Cl",{"$nulls":4},95.953355424,"?"]
[346,"CC(F)F","75-37-6","CC(F)F","CC(F)F",{"$nulls":4},66.028106568,"?"]
[347,"FC(F)=C","75-38-7","C=C(F)F","C=C(F)F",{"$nulls":4},64.012456504,"?"]
[348,"FC(Cl)Cl","75-43-4","FC(Cl)Cl","FC(Cl)Cl",{"$nulls":4},101.943933612,"?"]
[349,"FC(F)Cl","75-45-6","FC(F)Cl","FC(F)Cl",{"$nulls":4},85.973484152,"?"]
[350,"FC(F)F","75-46-7","FC(F)F","FC(F)F",{"$nulls":4},70.003034692,"?"]
[351,"IC(I)I","75-47-8","IC(I)I","IC(I)I",{"$nulls":4},393.721244032,"?"]
[352,"CN(C)C","75-50-3","CN(C)C","CN(C)C",{"$nulls":4},59.073499287999994,"?"]
[353,"C[N+]([O-])=O","75-52-5","C[N+](=O)[O-]","C[N+](=O)[O-]",{"$nulls":4},61.016378336,"?"]
[354,"CC1CN1","75-55-8","CC1CN1","CC1NC1",{"$nulls":4},57.057849223999995,"?"]
[355,"CC1CO1","75-56-9","CC1CO1","CC1OC1",{"$nulls":4},58.041864812,"?"]
[356,"C[As](C)(O)=O","75-60-5","C[As](C)(=O)O","C[As](C)(=O)O",{"$nulls":4},137.966200964,"?"]
[357,"FC(F)(F)Br","75-63-8","FC(F)(F)Br","FC(F)(F)Br",{"$nulls":4},147.91354676,"?"]
[358,"CC(C)(C)N","75-64-9","CC(C)(C)N","CC(C)(C)N",{"$nulls":4},73.08914935199999,"?"]
[359,"CC(C)(C)O","75-65-0","CC(C)(C)O","CC(C)(C)O",{"$nulls":4},74.07316494,"?"]
[360,"CC(F)(F)Cl","75-68-3","CC(F)(F)Cl","CC(F)(F)Cl",{"$nulls":4},99.989134216,"?"]
[361,"FC(Cl)(Cl)Cl","75-69-4","FC(Cl)(Cl)Cl","FC(Cl)(Cl)Cl",{"$nulls":4},135.90496126,"?"]
[362,"FC(F)(Cl)Cl","75-71-8","FC(F)(Cl)Cl","FC(F)(Cl)Cl",{"$nulls":4},119.9345118,"?"]
[363,"FC(F)(F)Cl","75-72-9","FC(F)(F)Cl","FC(F)(F)Cl",{"$nulls":4},103.96406234,"?"]
[364,"FC(F)(F)F","75-73-0","FC(F)(F)F","FC(F)(F)F",{"$nulls":4},87.99361288,"?"]
[365,"C[S](O)(=O)=O","75-75-2","CS(=O)(=O)O","CS(=O)(=O)O",{"$nulls":4},95.988114988,"?"]
[366,"C[Si](C)(C)C","75-76-3","C[Si](C)(C)C","C[Si](C)(C)C",{"$nulls":4},88.070826914,"?"]
[367,"OCC(Br)(Br)Br","75-80-9","OCC(Br)(Br)Br","OCC(Br)(Br)Br",{"$nulls":4},279.7734010160001,"?"]
[368,"CCC(C)(C)C","75-83-2","CCC(C)(C)C","CCC(C)(C)C",{"$nulls":4},86.109550448,"?"]
[369,"CC(C)(C)CO","75-84-3","CC(C)(C)CO","CC(C)(C)CO",{"$nulls":4},88.088815004,"?"]
[370,"CCC(C)(C)O","75-85-4","CCC(C)(C)O","CCC(C)(C)O",{"$nulls":4},88.088815004,"?"]
[371,"CC(C)(O)C#N","75-86-5","CC(C)(O)C#N","CC(C)(O)C#N",{"$nulls":4},85.052763844,"?"]
[372,"ClC(Cl)(Cl)C=O","75-87-6","O=CC(Cl)(Cl)Cl","O=CC(Cl)(Cl)Cl",{"$nulls":4},145.909297692,"?"]
[373,"FC(F)(F)CCl","75-88-7","FC(F)(F)CCl","FC(F)(F)CCl",{"$nulls":4},117.979712404,"?"]
[374,"OCC(F)(F)F","75-89-8","OCC(F)(F)F","OCC(F)(F)F",{"$nulls":4},100.013599376,"?"]
[375,"[O-]C(=O)C(Br)(Br)Br","75-96-7","O=C([O-])C(Br)(Br)Br","O=C(O)C(Br)(Br)Br",{"$nulls":4},292.74484054000004,"Structure has been neutralized"]
[376,"CC(=O)C(C)(C)C","75-97-8","CC(=O)C(C)(C)C","CC(=O)C(C)(C)C",{"$nulls":4},100.088815004,"?"]
[377,"CC(C)(C)C(O)=O","75-98-9","CC(C)(C)C(=O)O","CC(C)(C)C(=O)O",{"$nulls":4},102.06807956,"?"]
[378,"CC(Cl)(Cl)C(O)=O","75-99-0","CC(Cl)(Cl)C(=O)O","CC(Cl)(Cl)C(=O)O",{"$nulls":4},141.958834728,"?"]
[379,"CC(O)C(Cl)(Cl)Cl","76-00-6","CC(O)C(Cl)(Cl)Cl","CC(O)C(Cl)(Cl)Cl",{"$nulls":4},161.94059782,"?"]
[380,"ClC(Cl)C(Cl)(Cl)Cl","76-01-7","ClC(Cl)C(Cl)(Cl)Cl","ClC(Cl)C(Cl)(Cl)Cl",{"$nulls":4},199.852088432,"?"]
[381,"OC(=O)C(Cl)(Cl)Cl","76-03-9","O=C(O)C(Cl)(Cl)Cl","O=C(O)C(Cl)(Cl)Cl",{"$nulls":4},161.904212312,"?"]
[382,"OC(=O)C(F)(F)Cl","76-04-0","O=C(O)C(F)(F)Cl","O=C(O)C(F)(F)Cl",{"$nulls":4},129.963313392,"?"]
[383,"OC(=O)C(F)(F)F","76-05-1","O=C(O)C(F)(F)F","O=C(O)C(F)(F)F",{"$nulls":4},113.992863932,"?"]
[384,"[O-][N+](=O)C(Cl)(Cl)Cl","76-06-2","O=[N+]([O-])C(Cl)(Cl)Cl","O=[N+]([O-])C(Cl)(Cl)Cl",{"$nulls":4},162.89946128,"?"]
[385,"FC(F)(Cl)C(Cl)(Cl)Cl","76-11-9","FC(F)(Cl)C(Cl)(Cl)Cl","FC(F)(Cl)C(Cl)(Cl)Cl",{"$nulls":4},201.87221716,"?"]
[386,"FC(Cl)(Cl)C(F)(Cl)Cl","76-12-0","FC(Cl)(Cl)C(F)(Cl)Cl","FC(Cl)(Cl)C(F)(Cl)Cl",{"$nulls":4},201.87221716,"?"]
[387,"FC(F)(Cl)C(F)(Cl)Cl","76-13-1","FC(F)(Cl)C(F)(Cl)Cl","FC(F)(Cl)C(F)(Cl)Cl",{"$nulls":4},185.9017677,"?"]
[388,"FC(F)(Cl)C(F)(F)Cl","76-14-2","FC(F)(Cl)C(F)(F)Cl","FC(F)(Cl)C(F)(F)Cl",{"$nulls":4},169.93131824,"?"]
[389,"FC(F)(F)C(F)(F)Cl","76-15-3","FC(F)(F)C(F)(F)Cl","FC(F)(F)C(F)(F)Cl",{"$nulls":4},153.96086878,"?"]
[390,"FC(F)(F)C(F)(F)F","76-16-4","FC(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)F",{"$nulls":4},137.99041932,"?"]
[391,"FC(F)(F)C(F)(F)C(F)(F)F","76-19-7","FC(F)(F)C(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)C(F)(F)F",{"$nulls":4},187.98722576,"?"]
[392,"CCC(C)([S](=O)(=O)CC)[S](=O)(=O)CC","76-20-0","CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC",{"$nulls":4},242.064651056,"?"]
[393,"CC1(C)C2CCC1(C)C(=O)C2","76-22-2","CC12CCC(CC1=O)C2(C)C","CC12C(CC(CC1)C2(C)C)=O",{"$nulls":4},152.120115132,"?"]
[394,"OC1(C(=O)NC(=O)NC1=O)C2(O)C(=O)NC(=O)NC2=O","76-24-4","O=C1NC(=O)C(O)(C2(O)C(=O)NC(=O)NC2=O)C(=O)N1","O=C1NC(C(C(N1)=O)(O)C2(C(NC(NC2=O)=O)=O)O)=O",{"$nulls":4},286.0185631520001,"?"]
[395,"CC1(C)O[CH]2C[CH]3[CH]4CCC5=CC(=O)C=C[C]5(C)[C]4(F)[CH](O)C[C]3(C)[C]2(O1)C(=O)CO","76-25-5","CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1","CC1(OC2(C(O1)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C)C(=O)CO)C",{"$nulls":4},434.21046693200077,"?"]
[396,"COC(F)(F)C(Cl)Cl","76-38-0","COC(F)(F)C(Cl)Cl","COC(F)(F)C(Cl)Cl",{"$nulls":4},163.960726548,"?"]
[397,"CC(C)(CO)[N+]([O-])=O","76-39-1","CC(C)(CO)[N+](=O)[O-]","CC(C)(CO)[N+](=O)[O-]",{"$nulls":4},119.058243148,"?"]
[398,"CC(Cl)C(Cl)(Cl)C(O)O","76-40-4","CC(Cl)C(Cl)(Cl)C(O)O","CC(Cl)C(Cl)(Cl)C(O)O",{"$nulls":4},191.951162504,"?"]
[399,"ClC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl","76-44-8","ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C=C3)Cl",{"$nulls":4},369.8210939200001,"?"]
[400,"COc1ccc2C[CH]3[CH]4C=C[CH](O)[CH]5Oc1c2[C]45CCN3C","76-57-3","COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341","COc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O",{"$nulls":4},299.1521435320006,"?"]
[401,"CCOc1ccc2C[CH]3[CH]4C=C[CH](O)[CH]5Oc1c2[C]45CCN3C","76-58-4","CCOc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341","CCOc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O",{"$nulls":4},313.16779359600065,"?"]
[402,"CCCC(C)C1(CC)C(=O)NC(=O)NC1=O","76-74-4","CCCC(C)C1(CC)C(=O)NC(=O)NC1=O","CCCC(C)C1(C(NC(NC1=O)=O)=O)CC",{"$nulls":4},226.131742436,"?"]
[403,"CCC1(C(C)C)C(=O)NC(=O)NC1=O","76-76-6","CCC1(C(C)C)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C(C)C",{"$nulls":4},198.100442308,"?"]
[404,"Cc1cc(ccc1N)C(O)(c2ccc(N)cc2)c3ccc(N)cc3","76-82-4","Cc1cc(C(O)(c2ccc(N)cc2)c2ccc(N)cc2)ccc1N","Cc1c(ccc(c1)C(O)(c2ccc(cc2)N)c3ccc(cc3)N)N",{"$nulls":4},319.1684622920006,"?"]
[405,"OC(c1ccccc1)(c2ccccc2)c3ccccc3","76-84-6","OC(c1ccccc1)(c1ccccc1)c1ccccc1","OC(c1ccccc1)(c2ccccc2)c3ccccc3",{"$nulls":4},260.12011513200014,"?"]
[406,"O|[Sn](c1ccccc1)(c2ccccc2)c3ccccc3","76-87-9",{"$nulls":7},""]
[407,"OC(=O)C(O)(c1ccccc1)c2ccccc2","76-93-7","O=C(O)C(O)(c1ccccc1)c1ccccc1","O=C(O)C(O)(c1ccccc1)c2ccccc2",{"$nulls":4},228.07864424399997,"?"]
[408,"CC1(C(=O)NC(=O)NC1=O)c2ccccc2","76-94-8","CC1(c2ccccc2)C(=O)NC(=O)NC1=O","CC1(C(NC(NC1=O)=O)=O)c2ccccc2",{"$nulls":4},218.06914218,"?"]
[409,"CC(C)C1(CC=C)C(=O)NC(=O)NC1=O","77-02-1","C=CCC1(C(C)C)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)C(C)C",{"$nulls":4},210.100442308,"?"]
[410,"CC12[CH](O)C=C[C]3(OC1=O)[CH]4CC[C]5(O)C[C]4(CC5=C)[CH]([CH]23)C(O)=O","77-06-5","C=C1CC23CC1(O)CCC2C12C=CC(O)C(C)(C(=O)O1)C2C3C(=O)O","C=C1C2(CC3(C1)C(CC2)C45OC(C(C(C=C4)O)(C)C5C3C(=O)O)=O)O",{"$nulls":4},346.1416384240006,"?"]
[411,"Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4","77-09-8","O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21","O=C1c2c(C(O1)(c3ccc(cc3)O)c4ccc(cc4)O)cccc2",{"$nulls":4},318.08920892800035,"?"]
[412,"CCC1(CCC(=O)NC1=O)c2ccccc2","77-21-4","CCC1(c2ccccc2)CCC(=O)NC1=O","CCC1(C(NC(CC1)=O)=O)c2ccccc2",{"$nulls":4},217.11027872,"?"]
[413,"CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O","77-26-9","C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CC(C)C",{"$nulls":4},224.116092372,"?"]
[414,"CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O","77-27-0","C=CCC1(C(C)CCC)C(=O)NC(=S)NC1=O","C=CCC1(C(NC(NC1=O)=S)=O)C(C)CCC",{"$nulls":4},254.108898816,"?"]
[415,"[Na+].CCCCC1(CC)C(=O)NC(=O)[N-]C1=O","77-28-1","CCCCC1(CC)C(=O)[N-]C(=O)NC1=O","CCCCC1(C(NC(NC1=O)=O)=O)CC","[Na+]",{"$nulls":3},234.09803662,"Structure has been neutralized"]
[416,"N[S](=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23","77-36-1","NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl","NS(=O)(=O)c1c(ccc(c1)C2(c3c(C(N2)=O)cccc3)O)Cl",{"$nulls":4},338.01280551200034,"?"]
[417,"ClC1=C(Cl)C(Cl)(Cl)C(=C1Cl)Cl","77-47-4","ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl","ClC=1C(=C(C(C1Cl)(Cl)Cl)Cl)Cl",{"$nulls":4},269.81311608,"?"]
[418,"CC(CO)(CO)[N+]([O-])=O","77-49-6","CC(CO)(CO)[N+](=O)[O-]","CC(CO)(CO)[N+](=O)[O-]",{"$nulls":4},135.053157768,"?"]
[419,"CCC(Br)(CC)C(=O)NC(N)=O","77-65-6","CCC(Br)(CC)C(=O)NC(N)=O","CCC(Br)(CC)C(=O)NC(N)=O",{"$nulls":4},236.016039756,"?"]
[420,"CC1(C)NC(=O)NC1=O","77-71-4","CC1(C)NC(=O)NC1=O","CC1(C(NC(N1)=O)=O)C",{"$nulls":4},128.058577496,"?"]
[421,"CCC(C)(O)CC","77-74-7","CCC(C)(O)CC","CCC(C)(O)CC",{"$nulls":4},102.104465068,"?"]
[422,"CCC(C)(O)C#C","77-75-8","C#CC(C)(O)CC","C#CC(C)(O)CC",{"$nulls":4},98.07316494,"?"]
[423,"CO[S](=O)(=O)OC","77-78-1","COS(=O)(=O)OC","COS(=O)(=O)OC",{"$nulls":4},125.99867967200001,"?"]
[424,"CCO[P](=O)(C#N)N(C)C","77-81-6","CCOP(=O)(C#N)N(C)C","CCOP(=O)(C#N)N(C)C",{"$nulls":4},162.055814222,"?"]
[425,"NC(CO)(CO)CO","77-86-1","NC(CO)(CO)CO","NC(CO)(CO)CO",{"$nulls":4},121.073893212,"?"]
[426,"CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC","77-90-7","CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC","CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC",{"$nulls":4},402.2253680480009,"?"]
[427,"OC(=O)CC(O)(CC(O)=O)C(O)=O","77-92-9","O=C(O)CC(O)(CC(=O)O)C(=O)O","O=C(O)CC(O)(CC(=O)O)C(=O)O",{"$nulls":4},192.02700259600002,"?"]
[428,"CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC","77-93-0","CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC","CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC",{"$nulls":4},276.12090298000055,"?"]
[429,"OC1CC(O)(CC(O)C1O)C(O)=O","77-95-2","O=C(O)C1(O)CC(O)C(O)C(O)C1","O=C(O)C1(CC(C(C(C1)O)O)O)O",{"$nulls":4},192.063388104,"?"]
[430,"CCC(CO)(CO)CO","77-99-6","CCC(CO)(CO)CO","CCC(CO)(CO)CO",{"$nulls":4},134.094294308,"?"]
[431,"[O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O","78-11-5","O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]",{"$nulls":4},316.0138716960002,"?"]
[432,"CCC(C)(CC)OC(N)=O","78-28-4","CCC(C)(CC)OC(N)=O","CCC(C)(CC)OC(N)=O",{"$nulls":4},145.11027872,"?"]
[433,"Cc1ccc(O[P](=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3)cc1","78-32-0","Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1","Cc1ccc(cc1)OP(=O)(Oc2ccc(cc2)C)Oc3ccc(cc3)C",{"$nulls":4},368.1177457820006,"?"]
[434,"CCO[P](=O)(OCC)OCC","78-40-0","CCOP(=O)(OCC)OCC","CCOP(=O)(OCC)OCC",{"$nulls":4},182.07079559,"?"]
[435,"CCCC(C)(COC(N)=O)COC(=O)NC(C)C","78-44-4","CCCC(C)(COC(N)=O)COC(=O)NC(C)C","CCCC(C)(COC(N)=O)COC(=O)NC(C)C",{"$nulls":4},260.1736072480001,"?"]
[436,"CCCCO[P](=O)(CCCC)OCCCC","78-46-6","CCCCOP(=O)(CCCC)OCCCC","CCCCOP(=O)(CCCC)OCCCC",{"$nulls":4},250.169781354,"?"]
[437,"CCCCS[P](=O)(SCCCC)SCCCC","78-48-8","CCCCSP(=O)(SCCCC)SCCCC","CCCCSP(=O)(SCCCC)SCCCC",{"$nulls":4},314.09616511400077,"?"]
[438,"CCCCOCCO[P](=O)(OCCOCCCC)OCCOCCCC","78-51-3","CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC","CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC",{"$nulls":4},398.2433402180011,"?"]
[439,"CO[P](=S)(OC)SCc1nc(N)nc(N)n1","78-57-9","COP(=S)(OC)SCc1nc(N)nc(N)n1","COP(=S)(OC)SCc1nc(nc(n1)N)N",{"$nulls":4},281.0170032540004,"?"]
[440,"CC1=CC(=O)CC(C)(C)C1","78-59-1","CC1=CC(=O)CC(C)(C)C1","CC=1CC(CC(C1)=O)(C)C",{"$nulls":4},138.104465068,"?"]
[441,"CC(C)(N=NC(C)(C)C#N)C#N","78-67-1","CC(C)(C#N)N=NC(C)(C)C#N","CC(C)(C#N)N=NC(C)(C)C#N",{"$nulls":4},164.106196384,"?"]
[442,"CC(C)=CCCC(C)(O)C=C","78-70-6","C=CC(C)(O)CCC=C(C)C","C=CC(C)(O)CCC=C(C)C",{"$nulls":4},154.135765196,"?"]
[443,"BrCC(Br)Br","78-74-0","BrCC(Br)Br","BrCC(Br)Br",{"$nulls":4},263.77848639600006,"?"]
[444,"CC(Br)CBr","78-75-1","CC(Br)CBr","CC(Br)CBr",{"$nulls":4},199.883624392,"?"]
[445,"CC(C)CBr","78-77-3","CC(C)CBr","CC(C)CBr",{"$nulls":4},135.988762388,"?"]
[446,"CCC(C)C","78-78-4","CCC(C)C","CCC(C)C",{"$nulls":4},72.093900384,"?"]
[447,"CC(=C)C=C","78-79-5","C=CC(=C)C","C=CC(=C)C",{"$nulls":4},68.062600256,"?"]
[448,"CC(C)CN","78-81-9","CC(C)CN","CC(C)CN",{"$nulls":4},73.08914935199999,"?"]
[449,"CC(C)CO","78-83-1","CC(C)CO","CC(C)CO",{"$nulls":4},74.07316494,"?"]
[450,"CC(C)C=O","78-84-2","CC(C)C=O","CC(C)C=O",{"$nulls":4},72.057514876,"?"]
[451,"CC(=C)C=O","78-85-3","C=C(C)C=O","C=C(C)C=O",{"$nulls":4},70.041864812,"?"]
[452,"CCC(C)Cl","78-86-4","CCC(C)Cl","CCC(C)Cl",{"$nulls":4},92.039277968,"?"]
[453,"CC(Cl)CCl","78-87-5","CC(Cl)CCl","CC(Cl)CCl",{"$nulls":4},111.98465555199999,"?"]
[454,"ClCC(Cl)=C","78-88-6","C=C(Cl)CCl","C=C(Cl)CCl",{"$nulls":4},109.969005488,"?"]
[455,"CCC(C)O","78-92-2","CCC(C)O","CCC(C)O",{"$nulls":4},74.07316494,"?"]
[456,"CCC(C)=O","78-93-3","CCC(C)=O","CCC(C)=O",{"$nulls":4},72.057514876,"?"]
[457,"CC(=O)CCl","78-95-5","CC(=O)CCl","CC(=O)CCl",{"$nulls":4},92.00289246,"?"]
[458,"CC(O)CN","78-96-6","CC(O)CN","CC(O)CN",{"$nulls":4},75.068413908,"?"]
[459,"CCC(Cl)Cl","78-99-9","CCC(Cl)Cl","CCC(Cl)Cl",{"$nulls":4},111.98465555199999,"?"]
[460,"ClCC(Cl)Cl","79-00-5","ClCC(Cl)Cl","ClCC(Cl)Cl",{"$nulls":4},131.930033136,"?"]
[461,"ClC=C(Cl)Cl","79-01-6","ClC=C(Cl)Cl","ClC=C(Cl)Cl",{"$nulls":4},129.914383072,"?"]
[462,"NC(=O)C=C","79-06-1","C=CC(N)=O","C=CC(N)=O",{"$nulls":4},71.03711378,"?"]
[463,"NC(=O)CCl","79-07-2","NC(=O)CCl","NC(=O)CCl",{"$nulls":4},92.998141428,"?"]
[464,"OC(=O)CBr","79-08-3","O=C(O)CBr","O=C(O)CBr",{"$nulls":4},137.931641436,"?"]
[465,"CCC(O)=O","79-09-4","CCC(=O)O","CCC(=O)O",{"$nulls":4},74.036779432,"?"]
[466,"OC(=O)C=C","79-10-7","C=CC(=O)O","C=CC(=O)O",{"$nulls":4},72.021129368,"?"]
[467,"OC(=O)CCl","79-11-8","O=C(O)CCl","O=C(O)CCl",{"$nulls":4},93.982157016,"?"]
[468,"CNC(C)=O","79-16-3","CNC(C)=O","CNC(C)=O",{"$nulls":4},73.052763844,"?"]
[469,"NNC(N)=S","79-19-6","NNC(N)=S","NNC(N)=S",{"$nulls":4},91.02041815999999,"?"]
[470,"COC(C)=O","79-20-9","COC(C)=O","COC(C)=O",{"$nulls":4},74.036779432,"?"]
[471,"CC(=O)OO","79-21-0","CC(=O)OO","CC(=O)OO",{"$nulls":4},76.016043988,"?"]
[472,"CC[N+]([O-])=O","79-24-3","CC[N+](=O)[O-]","CC[N+](=O)[O-]",{"$nulls":4},75.0320284,"?"]
[473,"BrC(Br)C(Br)Br","79-27-6","BrC(Br)C(Br)Br","BrC(Br)C(Br)Br",{"$nulls":4},341.68899846400006,"?"]
[474,"CC(C)C(C)C","79-29-8","CC(C)C(C)C","CC(C)C(C)C",{"$nulls":4},86.109550448,"?"]
[475,"CC(C)C(O)=O","79-31-2","CC(C)C(=O)O","CC(C)C(=O)O",{"$nulls":4},88.052429496,"?"]
[476,"ClC(Cl)C(Cl)Cl","79-34-5","ClC(Cl)C(Cl)Cl","ClC(Cl)C(Cl)Cl",{"$nulls":4},165.891060784,"?"]
[477,"CC(=C)C(O)=O","79-41-4","C=C(C)C(=O)O","C=C(C)C(=O)O",{"$nulls":4},86.036779432,"?"]
[478,"OC(=O)C(Cl)Cl","79-43-6","O=C(O)C(Cl)Cl","O=C(O)C(Cl)Cl",{"$nulls":4},127.943184664,"?"]
[479,"CC(C)[N+]([O-])=O","79-46-9","CC(C)[N+](=O)[O-]","CC(C)[N+](=O)[O-]",{"$nulls":4},89.047678464,"?"]
[480,"O.O.[Na+].[Na+].CN(C)[CH]1[CH]2[CH](O)[CH]3[C-](C(=O)c4c([O-])cccc4[C]3(C)O)C(=O)[C]2(O)C(=O)C(=C(N)O)C1=O","79-57-2","CN(C)C1C(=O)C(=C(N)O)C(=O)C2(O)C(=O)[C-]3C(=O)c4c([O-])cccc4C(C)(O)C3C(O)C12","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C3C(C(c4c(C3=O)c(O)ccc4)(C)O)C2O","[Na+]","[Na+]","O","O",540.1331982120005,"Structure has been neutralized"]
[481,"CC(C)(CO)C(O)C(=O)NCCC(O)=O","79-83-4","CC(C)(CO)C(O)C(=O)NCCC(=O)O","CC(C)(CO)C(O)C(=O)NCCC(=O)O",{"$nulls":4},219.110672644,"?"]
[482,"CC1(C)OC(=O)C[CH]1C([O-])=O","79-91-4","CC1(C)OC(=O)CC1C(=O)[O-]","CC1(C(CC(O1)=O)C(=O)O)C",{"$nulls":4},157.050083768,"Structure has been neutralized"]
[483,"CC1(C)C2CCC(C2)C1=C","79-92-5","C=C1C2CCC(C2)C1(C)C","C=C1C(C2CCC1C2)(C)C",{"$nulls":4},136.125200512,"?"]
[484,"Nc1ccc(cc1)[S](=O)(=O)c2ccc(NCCO)cc2","80-02-4","Nc1ccc(S(=O)(=O)c2ccc(NCCO)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)NCCO",{"$nulls":4},292.08816337200045,"?"]
[485,"CC(C)(c1ccc(O)cc1)c2ccc(O)cc2","80-05-7","CC(C)(c1ccc(O)cc1)c1ccc(O)cc1","CC(C)(c1ccc(cc1)O)c2ccc(cc2)O",{"$nulls":4},228.115029752,"?"]
[486,"Nc1ccc(cc1)[S](=O)(=O)c2ccc(N)cc2","80-08-0","Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N",{"$nulls":4},248.061948624,"?"]
[487,"CC(C)(OO)c1ccccc1","80-15-9","CC(C)(OO)c1ccccc1","CC(C)(OO)c1ccccc1",{"$nulls":4},152.083729624,"?"]
[488,"CO[S](=O)(=O)c1ccccc1","80-18-2","COS(=O)(=O)c1ccccc1","COS(=O)(=O)c1ccccc1",{"$nulls":4},172.019415116,"?"]
[489,"Nc1ccc(cc1)[S](=O)(=O)Nc2ccc(Cl)nn2","80-32-0","Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nnc(cc2)Cl",{"$nulls":4},284.0134742080003,"?"]
[490,"CC(C)c1sc(N[S](=O)(=O)c2ccc(N)cc2)nn1","80-34-2","CC(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CC(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},298.05581768800045,"?"]
[491,"COc1ccc(N[S](=O)(=O)c2ccc(N)cc2)nn1","80-35-3","COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1","COc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},280.06301124400034,"?"]
[492,"CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2","80-43-3","CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1","CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2",{"$nulls":4},270.1619799440004,"?"]
[493,"CCC(C)(C)c1ccc(O)cc1","80-46-6","CCC(C)(C)c1ccc(O)cc1","CCC(C)(C)c1ccc(cc1)O",{"$nulls":4},164.120115132,"?"]
[494,"CC(C)(O)C1CCC(C)(O)CC1","80-53-5","CC1(O)CCC(C(C)(C)O)CC1","CC1(CCC(CC1)C(C)(C)O)O",{"$nulls":4},172.14632988,"?"]
[495,"CC1=CCC2CC1C2(C)C","80-56-8","CC1=CCC2CC1C2(C)C","CC=1C2CC(CC1)C2(C)C",{"$nulls":4},136.125200512,"?"]
[496,"CCC(Br)C(O)=O","80-58-0","CCC(Br)C(=O)O","CCC(Br)C(=O)O",{"$nulls":4},165.962941564,"?"]
[497,"CCC(N)C(O)=O","80-60-4","CCC(N)C(=O)O","CCC(N)C(=O)O",{"$nulls":4},103.063328528,"?"]
[498,"COC(=O)C(C)=C","80-62-6","C=C(C)C(=O)OC","C=C(C)C(=O)OC",{"$nulls":4},100.052429496,"?"]
[499,"CC(O)C(N)C(O)=O","80-68-2","CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O",{"$nulls":4},119.058243148,"?"]
[500,"CC(=O)N(c1onc(C)c1C)[S](=O)(=O)c2ccc(N)cc2","80-74-0","CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1","CC(=O)N(c1c(c(no1)C)C)S(=O)(=O)c2ccc(cc2)N",{"$nulls":4},309.0783269600004,"?"]
[501,"CC(=O)C1CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH]3[CH](O)C[C]12C","80-75-1","CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C","CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C",{"$nulls":4},330.2194948200008,"?"]
[502,"CN1C(c2ccc(Cl)cc2)[S](=O)(=O)CCC1=O","80-77-3","CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1","CN1C(S(CCC1=O)(=O)=O)c2ccc(cc2)Cl",{"$nulls":4},273.0226419240003,"?"]
[503,"O=C1N[S](=O)(=O)c2ccccc12","81-07-2","O=C1NS(=O)(=O)c2ccccc21","O=C1c2c(S(N1)(=O)=O)cccc2",{"$nulls":4},182.99901402,"?"]
[504,"CC(C)(CO)[CH](O)C(=O)NCCCO","81-13-0","CC(C)(CO)C(O)C(=O)NCCCO","CC(C)(CO)C(O)C(=O)NCCCO",{"$nulls":4},205.131408088,"?"]
[505,"CC(=O)c1c(C)c(c(c(c1C)[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O","81-14-1","CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C","CC(=O)c1c(c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C",{"$nulls":4},294.1215716760005,"?"]
[506,"C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3[CH](CC(=O)[C]12C)[C]4(C)CCC(=O)C[CH]4CC3=O","81-23-2","CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3=O)CC(=O)CC4)C)CC2=O)C",{"$nulls":4},402.2406241880009,"?"]
[507,"C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C","81-25-4","CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C",{"$nulls":4},408.2875743800011,"?"]
[508,"Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O","81-54-9","O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21","O=C1c2c(C(c3c1cccc3)=O)c(O)c(O)cc2O",{"$nulls":4},256.03717335600004,"?"]
[509,"CC(=O)CC(c1ccccc1)C2=C(O)Oc3ccccc3C2=O","81-81-2","CC(=O)CC(c1ccccc1)c1c(O)oc2ccccc2c1=O","CC(=O)CC(c1ccccc1)c2c(c3c(oc2O)cccc3)=O",{"$nulls":4},308.1048589920004,"?"]
[510,"CC(=O)CC(c1ccc(Cl)cc1)C2=C(O)Oc3ccccc3C2=O","81-82-3","CC(=O)CC(c1ccc(Cl)cc1)c1c(O)oc2ccccc2c1=O","CC(=O)CC(c1ccc(cc1)Cl)c2c(c3c(oc2O)cccc3)=O",{"$nulls":4},342.06588664000043,"?"]
[511,"Oc1ccc(cc1)C(c2ccc(O)cc2)c3ccccc3C(O)=O","81-90-3","O=C(O)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1","O=C(O)c1c(cccc1)C(c2ccc(cc2)O)c3ccc(cc3)O",{"$nulls":4},320.1048589920004,"?"]
[512,"COc1c2occc2c(OC)c3C(=O)C=C(C)Oc13","82-02-0","COc1c2occc2c(OC)c2c(=O)cc(C)oc12","COc1c2c(c(c3c1occ3)OC)c(=O)cc(C)o2",{"$nulls":4},260.06847348400015,"?"]
[513,"Cc1ccc2C(=O)c3ccccc3C(=O)c2c1N","82-28-0","Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O","Cc1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)N",{"$nulls":4},237.078978592,"?"]
[514,"O[S](=O)(=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)[S](O)(=O)=O","82-48-4","O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2c1cccc2S(=O)(=O)O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)c(ccc2)S(=O)(=O)O",{"$nulls":4},367.96605921600013,"?"]
[515,"[Na+].O=C(C(c1ccccc1)c2ccccc2)C3C(=O)c4ccccc4C3=O","82-66-6","O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccccc4","[Na+]",{"$nulls":3},363.09971365200045,"?"]
[516,"[O-][N+](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","82-68-8","O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},292.83716664,"?"]
[517,"Oc1c(cc(c(O)c1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","82-71-3","O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O","O=[N+]([O-])c1c(c(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])O",{"$nulls":4},244.99201405600002,"?"]
[518,"CN1CCN(CC1)C(c2ccccc2)c3ccccc3","82-92-8","CN1CCN(C(c2ccccc2)c2ccccc2)CC1","CN1CCN(CC1)C(c2ccccc2)c3ccccc3",{"$nulls":4},266.17829870400027,"?"]
[519,"CN1N(c2ccccc2)C(=O)C(=C1C)N","83-07-8","Cc1c(N)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1N)=O)-c2ccccc2)C",{"$nulls":4},203.105862036,"?"]
[520,"CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O","83-26-1","CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O","CC(C)(C)C(=O)C1C(c2c(C1=O)cccc2)=O",{"$nulls":4},230.094294308,"?"]
[521,"C1Cc2cccc3cccc1c23","83-32-9","c1cc2c3c(cccc3c1)CC2","c1cc2c3c(c1)CCc3ccc2",{"$nulls":4},154.07825032,"?"]
[522,"Cc1c[nH]c2ccccc12","83-34-1","Cc1c[nH]c2ccccc12","Cc1c2c([nH]c1)cccc2",{"$nulls":4},131.073499288,"?"]
[523,"Cc1cccc(C(O)=O)c1O","83-40-9","Cc1cccc(C(=O)O)c1O","Cc1c(c(ccc1)C(=O)O)O",{"$nulls":4},152.047344116,"?"]
[524,"C[CH]1C[CH]2[CH]3CC[C](O)(C(=O)CO)[C]3(C)C[CH](O)[CH]2[C]4(C)C=CC(=O)C=C14","83-43-2","CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12","CC1C=2C(C3C(C1)C4C(CC3O)(C(CC4)(O)C(=O)CO)C)(C)C=CC(=O)C2",{"$nulls":4},374.2093240600008,"?"]
[525,"C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C","83-44-3","CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C",{"$nulls":4},392.2926597600011,"?"]
[526,"[Na+].C[CH](CCC([O-])=O)[CH]1CCC2C3C[CH](O)[CH]4C[CH](O)CC[C]4(C)C3CC[C]12C","83-49-8","CC(CCC(=O)[O-])C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(C(C3)O)CC(O)CC4)C)CC2)C","[Na+]",{"$nulls":3},414.2746040080011,"Structure has been neutralized"]
[527,"CN1C=CC(=O)c2ccccc12","83-54-5","Cn1ccc(=O)c2ccccc21","Cn1c2c(c(cc1)=O)cccc2",{"$nulls":4},159.068413908,"?"]
[528,"Oc1cccc2c(O)cccc12","83-56-7","Oc1cccc2c(O)cccc12","Oc1c2c(ccc1)c(O)ccc2",{"$nulls":4},160.052429496,"?"]
[529,"Cn1cnc2N(C)C(=O)NC(=O)c12","83-67-0","Cn1cnc2c1c(=O)[nH]c(=O)n2C","Cn1c2c(nc1)n(c([nH]c2=O)=O)C",{"$nulls":4},180.064725496,"?"]
[530,"COc1cc2OC[CH]3Oc4c5C[CH](Oc5ccc4C(=O)[CH]3c2cc1OC)C(C)=C","83-79-4","C=C(C)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1","C=C(C)C1Oc2c(C1)c3c(cc2)C(C4C(O3)COc5c4cc(c(c5)OC)OC)=O",{"$nulls":4},394.1416384240006,"?"]
[531,"O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O","83-86-3","O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O","O=P(O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O",{"$nulls":4},659.8613712360005,"?"]
[532,"Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)CO)c2cc1C","83-88-5","Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C","Cc1c(cc2c(c1)nc3-c(nc([nH]c3=O)=O)n2CC(O)C(O)C(O)CO)C",{"$nulls":4},376.1382843600005,"?"]
[533,"[H+].[H+].[Cl-].[Cl-].CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1","84-06-0","CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1","CC(=O)OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3","[Cl-]","[Cl-]","[H+]","[H+]",517.1124312400008,"?"]
[534,"O=C1C(=O)c2ccccc2c3ccccc13","84-11-7","O=C1C(=O)c2ccccc2-c2ccccc21","O=C1c2c(-c3c(C1=O)cccc3)cccc2",{"$nulls":4},208.052429496,"?"]
[535,"c1ccc(cc1)c2ccccc2c3ccccc3","84-15-1","c1ccc(-c2ccccc2-c2ccccc2)cc1","c1ccc(cc1)-c2c(cccc2)-c3ccccc3",{"$nulls":4},230.109550448,"?"]
[536,"CCC(C(CC)c1ccc(O)cc1)c2ccc(O)cc2","84-16-2","CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1","CCC(c1ccc(cc1)O)C(CC)c2ccc(cc2)O",{"$nulls":4},270.1619799440004,"?"]
[537,"CC=C(c1ccc(O)cc1)C(=CC)c2ccc(O)cc2","84-17-3","CC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1","CC=C(C(=CC)c1ccc(cc1)O)c2ccc(cc2)O",{"$nulls":4},266.1306798160003,"?"]
[538,"Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O[P](O)(O)=O)[CH]3O","84-21-9","Nc1ncnc2c1ncn2C1OC(CO)C(OP(=O)(O)O)C1O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O",{"$nulls":4},347.0630844180003,"?"]
[539,"COc1ccc2nccc(C(=O)C3CC4CCN3CC4C=C)c2c1","84-31-1","C=CC1CN2CCC1CC2C(=O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(=O)c3c4c(ncc3)ccc(OC)c4",{"$nulls":4},322.1681279440006,"?"]
[540,"Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1","84-60-6","O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21","O=C1c2c(C(c3c1ccc(O)c3)=O)ccc(O)c2",{"$nulls":4},240.042258736,"?"]
[541,"O=C(OC1CCCCC1)c2ccccc2C(=O)OC3CCCCC3","84-61-7","O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1","O=C(OC1CCCCC1)c2c(cccc2)C(=O)OC3CCCCC3",{"$nulls":4},330.18310931200074,"?"]
[542,"O=C(Oc1ccccc1)c2ccccc2C(=O)Oc3ccccc3","84-62-8","O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1","O=C(Oc1ccccc1)c2c(cccc2)C(=O)Oc3ccccc3",{"$nulls":4},318.0892089280004,"?"]
[543,"O=C1c2ccccc2C(=O)c3ccccc13","84-65-1","O=C1c2ccccc2C(=O)c2ccccc21","O=C1c2c(C(c3c1cccc3)=O)cccc2",{"$nulls":4},208.052429496,"?"]
[544,"CCOC(=O)c1ccccc1C(=O)OCC","84-66-2","CCOC(=O)c1ccccc1C(=O)OCC","CCOC(=O)c1c(cccc1)C(=O)OCC",{"$nulls":4},222.089208928,"?"]
[545,"CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C","84-69-5","CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C","CC(C)COC(=O)c1c(cccc1)C(=O)OCC(C)C",{"$nulls":4},278.1518091840006,"?"]
[546,"CCCCOC(=O)c1ccccc1C(=O)OCCCC","84-74-2","CCCCOC(=O)c1ccccc1C(=O)OCCCC","CCCCOC(=O)c1c(cccc1)C(=O)OCCCC",{"$nulls":4},278.1518091840006,"?"]
[547,"CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC","84-75-3","CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC","CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC",{"$nulls":4},334.21440944000085,"?"]
[548,"CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC","84-77-5","CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC","CCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCCCC",{"$nulls":4},446.33960995200124,"?"]
[549,"COc1c2C=CC(=O)Oc2cc3OC(C)(C)C=Cc13","84-99-1","COc1c2c(cc3oc(=O)ccc13)OC(C)(C)C=C2","COc1c2c(cc3c1C=CC(O3)(C)C)oc(=O)cc2",{"$nulls":4},258.08920892800006,"?"]
[550,"[Br-].[Br-].C1C[n+]2ccccc2c3cccc[n+]13","85-00-7","c1cc[n+]2c(c1)-c1cccc[n+]1CC2","c1cc-2[n+](cc1)CC[n+]3c2cccc3","[Br-]","[Br-]",null,null,341.936722584,"?"]
[551,"c1ccc2c(c1)ccc3ccccc23","85-01-8","c1ccc2c(c1)ccc1ccccc12","c1cc2c(cc1)c3c(cc2)cccc3",{"$nulls":4},178.07825032,"?"]
[552,"c1ccc2c(c1)ccc3ncccc23","85-02-9","c1ccc2c(c1)ccc1ncccc12","c1cc2c(cc1)c3c(cc2)nccc3",{"$nulls":4},179.073499288,"?"]
[553,"CN1C(=O)N(C)c2nc(Cl)[nH]c2C1=O","85-18-7","Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O","Cn1c(n(c2c(c1=O)[nH]c(Cl)n2)C)=O",{"$nulls":4},214.025753144,"?"]
[554,"[Na+].[O-]C(=O)Cc1c(Cl)ccc(Cl)c1Cl","85-34-7","O=C([O-])Cc1c(Cl)ccc(Cl)c1Cl","O=C(O)Cc1c(c(ccc1Cl)Cl)Cl","[Na+]",{"$nulls":3},259.917456688,"Structure has been neutralized"]
[555,"OC(=O)c1cccc(c1O)[N+]([O-])=O","85-38-1","O=C(O)c1cccc([N+](=O)[O-])c1O","O=C(O)c1c(c(ccc1)[N+](=O)[O-])O",{"$nulls":4},183.01677226,"?"]
[556,"O=C1NC(=O)c2ccccc12","85-41-6","O=C1NC(=O)c2ccccc21","O=C1c2c(C(N1)=O)cccc2",{"$nulls":4},147.0320284,"?"]
[557,"O=C1OC(=O)c2ccccc12","85-44-9","O=C1OC(=O)c2ccccc21","O=C1c2c(C(O1)=O)cccc2",{"$nulls":4},148.01604398799998,"?"]
[558,"OC(=O)c1ccccc1C(=O)c2ccc(Cl)cc2","85-56-3","O=C(O)c1ccccc1C(=O)c1ccc(Cl)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Cl",{"$nulls":4},260.0240218280001,"?"]
[559,"OC(=O)c1ccccc1C(=O)c2ccc(O)cc2","85-57-4","O=C(O)c1ccccc1C(=O)c1ccc(O)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)O",{"$nulls":4},242.0579088,"?"]
[560,"CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2","85-68-7","CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1","CCCCOC(=O)c1c(cccc1)C(=O)OCc2ccccc2",{"$nulls":4},312.13615912000057,"?"]
[561,"Cc1cccc(NC(=O)c2ccccc2C(O)=O)c1","85-72-3","Cc1cccc(NC(=O)c2ccccc2C(=O)O)c1","Cc1cc(ccc1)NC(=O)c2c(cccc2)C(=O)O",{"$nulls":4},255.089543276,"?"]
[562,"OC(=O)c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)Nc3sccn3","85-73-4","O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1","O=C(O)c1c(cccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3sccn3",{"$nulls":4},403.0296625160003,"?"]
[563,"Nc1ccc(c2cc(ccc12)[S](O)(=O)=O)[S](O)(=O)=O","85-74-5","Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)ccc12","Nc1c2c(c(cc1)S(=O)(=O)O)cc(S(=O)(=O)O)cc2",{"$nulls":4},302.9871290080002,"?"]
[564,"Nc1ccc(c2ccc(cc12)[S](O)(=O)=O)[S](O)(=O)=O","85-75-6","Nc1ccc(S(=O)(=O)O)c2ccc(S(=O)(=O)O)cc12","Nc1c2c(c(cc1)S(=O)(=O)O)ccc(S(=O)(=O)O)c2",{"$nulls":4},302.9871290080002,"?"]
[565,"CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1","85-79-0","CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1","CCCCOc1nc2c(c(c1)C(=O)NCCN(CC)CC)cccc2",{"$nulls":4},343.22597716800084,"?"]
[566,"Nc1ccc2ccccc2c1N=Nc3ccccc3","85-84-7","Nc1ccc2ccccc2c1N=Nc1ccccc1","Nc1c(c2c(cc1)cccc2)N=Nc3ccccc3",{"$nulls":4},247.110947416,"?"]
[567,"N#CC(c1ccccc1)c2ccccc2","86-29-3","N#CC(c1ccccc1)c1ccccc1","N#CC(c1ccccc1)c2ccccc2",{"$nulls":4},193.089149352,"?"]
[568,"O=NN(c1ccccc1)c2ccccc2","86-30-6","O=NN(c1ccccc1)c1ccccc1","O=NN(c1ccccc1)c2ccccc2",{"$nulls":4},198.07931294,"?"]
[569,"CO[P](=S)(OC)SCN1N=Nc2ccccc2C1=O","86-50-0","COP(=S)(OC)SCn1nnc2ccccc2c1=O","COP(=S)(OC)SCn1c(c2c(nn1)cccc2)=O",{"$nulls":4},317.00576987400035,"?"]
[570,"OC(=O)c1cccc2ccccc12","86-55-5","O=C(O)c1cccc2ccccc12","O=C(O)c1c2c(ccc1)cccc2",{"$nulls":4},172.052429496,"?"]
[571,"[O-][N+](=O)c1cccc2ccccc12","86-57-7","O=[N+]([O-])c1cccc2ccccc12","O=[N+]([O-])c1c2c(ccc1)cccc2",{"$nulls":4},173.047678464,"?"]
[572,"OC(=O)c1cccc2cccnc12","86-59-9","O=C(O)c1cccc2cccnc12","O=C(O)c1c2c(ccc1)cccn2",{"$nulls":4},173.047678464,"?"]
[573,null,"86-65-7",{"$nulls":7},""]
[574,"C1c2ccccc2c3ccccc13","86-73-7","c1ccc2c(c1)Cc1ccccc1-2","c1cc2c(cc1)-c3c(C2)cccc3",{"$nulls":4},166.07825032,"?"]
[575,"[nH]1c2ccccc2c3ccccc13","86-74-8","c1ccc2c(c1)[nH]c1ccccc12","c1cc2c(cc1)c3c([nH]2)cccc3",{"$nulls":4},167.073499288,"?"]
[576,"COc1cc(C=O)cc(OC)c1OC","86-81-7","COc1cc(C=O)cc(OC)c1OC","COc1c(c(cc(c1)C=O)OC)OC",{"$nulls":4},196.073558864,"?"]
[577,"NC(=O)Cc1cccc2ccccc12","86-86-2","NC(=O)Cc1cccc2ccccc12","NC(=O)Cc1c2c(ccc1)cccc2",{"$nulls":4},185.084063972,"?"]
[578,"OC(=O)Cc1cccc2ccccc12","86-87-3","O=C(O)Cc1cccc2ccccc12","O=C(O)Cc1c2c(ccc1)cccc2",{"$nulls":4},186.06807956,"?"]
[579,"NC(=S)Nc1cccc2ccccc12","86-88-4","NC(=S)Nc1cccc2ccccc12","NC(=S)Nc1c2c(ccc1)cccc2",{"$nulls":4},202.05646932,"?"]
[580,"O=C1NC(=O)c2ccccc2N1","86-96-4","O=c1[nH]c(=O)c2ccccc2[nH]1","O=c1[nH]c2c(c([nH]1)=O)cccc2",{"$nulls":4},162.042927432,"?"]
[581,"CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3","87-00-3","CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3",{"$nulls":4},275.15214353200054,"?"]
[582,"Oc1ccccc1C(=O)Nc2ccccc2","87-17-2","O=C(Nc1ccccc1)c1ccccc1O","O=C(Nc1ccccc1)c2c(cccc2)O",{"$nulls":4},213.078978592,"?"]
[583,"CC(C)CCOC(=O)c1ccccc1O","87-20-7","CC(C)CCOC(=O)c1ccccc1O","CC(C)CCOC(=O)c1c(cccc1)O",{"$nulls":4},208.109944372,"?"]
[584,"OCCOC(=O)c1ccccc1O","87-28-5","O=C(OCCO)c1ccccc1O","O=C(OCCO)c1c(cccc1)O",{"$nulls":4},182.0579088,"?"]
[585,"CC(=O)N[CH](Cc1c[nH]c2ccccc12)C([O-])=O","87-32-1","CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-]","CC(=O)NC(Cc1c2c([nH]c1)cccc2)C(=O)O",{"$nulls":4},245.092617276,"Structure has been neutralized"]
[586,"[O-][N+](=O)O[CH]1CO[CH]2[CH](CO[CH]12)O[N+]([O-])=O","87-33-2","O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12","O=[N+]([O-])OC1C2C(OC1)C(O[N+](=O)[O-])CO2",{"$nulls":4},236.02806521600002,"?"]
[587,"COc1c(Cl)cc(Cl)cc1Cl","87-40-1","COc1c(Cl)cc(Cl)cc1Cl","COc1c(cc(cc1Cl)Cl)Cl",{"$nulls":4},209.94059782,"?"]
[588,"Clc1ncnc2nc[nH]c12","87-42-3","Clc1ncnc2nc[nH]c12","Clc1c2c(ncn1)nc[nH]2",{"$nulls":4},154.004623776,"?"]
[589,"CN(C)C(=O)Oc1cc(C)nn1c2ccccc2","87-47-8","Cc1cc(OC(=O)N(C)C)n(-c2ccccc2)n1","Cc1nn(c(c1)OC(=O)N(C)C)-c2ccccc2",{"$nulls":4},245.11642672,"?"]
[590,"OC(=O)Cc1c[nH]c2ccccc12","87-51-4","O=C(O)Cc1c[nH]c2ccccc12","O=C(O)Cc1c2c([nH]c1)cccc2",{"$nulls":4},175.063328528,"?"]
[591,"Clc1cccc(Cl)c1Cl","87-61-6","Clc1cccc(Cl)c1Cl","Clc1c(c(ccc1)Cl)Cl",{"$nulls":4},179.930033136,"?"]
[592,"Cc1cccc(C)c1N","87-62-7","Cc1cccc(C)c1N","Cc1c(c(ccc1)C)N",{"$nulls":4},121.08914935199999,"?"]
[593,"Cc1cccc(Cl)c1O","87-64-9","Cc1cccc(Cl)c1O","Cc1c(c(ccc1)Cl)O",{"$nulls":4},142.018542524,"?"]
[594,"Oc1c(Cl)cccc1Cl","87-65-0","Oc1c(Cl)cccc1Cl","Oc1c(cccc1Cl)Cl",{"$nulls":4},161.963920108,"?"]
[595,"Oc1cccc(O)c1O","87-66-1","Oc1cccc(O)c1O","Oc1c(c(ccc1)O)O",{"$nulls":4},126.031694052,"?"]
[596,"ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl","87-68-3","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl",{"$nulls":4},257.81311608,"?"]
[597,"OC(C(O)C(O)=O)C(O)=O","87-69-4","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",{"$nulls":4},150.01643791200001,"?"]
[598,"OCC(O)C(O)C(O)C(=O)CO","87-79-6","O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO",{"$nulls":4},180.063388104,"?"]
[599,"Brc1c(Br)c(Br)c(Br)c(Br)c1Br","87-82-1","Brc1c(Br)c(Br)c(Br)c(Br)c1Br","Brc1c(c(c(c(c1Br)Br)Br)Br)Br",{"$nulls":4},545.5100226000001,"?"]
[600,"Cc1c(C)c(C)c(C)c(C)c1C","87-85-4","Cc1c(C)c(C)c(C)c(C)c1C","Cc1c(c(c(c(c1C)C)C)C)C",{"$nulls":4},162.140850576,"?"]
[601,"Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","87-86-5","Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},263.847003052,"?"]
[602,"OC1=C(Cl)C(=O)C(=C(Cl)C1=O)O","87-88-7","O=C1C(O)=C(Cl)C(=O)C(O)=C1Cl","O=C1C(=C(C(C(=C1O)Cl)=O)O)Cl",{"$nulls":4},207.933013904,"?"]
[603,"OC1C(O)C(O)C(O)C(O)C1O","87-89-8","OC1C(O)C(O)C(O)C(O)C1O","OC1C(C(C(C(C1O)O)O)O)O",{"$nulls":4},180.063388104,"?"]
[604,"ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O","87-90-1","O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl","O=c1n(c(n(c(n1Cl)=O)Cl)=O)Cl",{"$nulls":4},230.9005239,"?"]
[605,"OCC(O)C(O)C(O)CO","87-99-0","OCC(O)C(O)C(O)CO","OCC(O)C(O)C(O)CO",{"$nulls":4},152.068473484,"?"]
[606,"Cc1cc(O)cc(C)c1Cl","88-04-0","Cc1cc(O)cc(C)c1Cl","Cc1c(c(cc(c1)O)C)Cl",{"$nulls":4},156.034192588,"?"]
[607,"Oc1c(Cl)cc(Cl)cc1Cl","88-06-2","Oc1c(Cl)cc(Cl)cc1Cl","Oc1c(cc(cc1Cl)Cl)Cl",{"$nulls":4},195.924947756,"?"]
[608,"CCC(CC)C(O)=O","88-09-5","CCC(CC)C(=O)O","CCC(CC)C(=O)O",{"$nulls":4},116.083729624,"?"]
[609,"OC(=O)c1cscc1","88-13-1","O=C(O)c1ccsc1","O=C(O)c1cscc1",{"$nulls":4},127.993200368,"?"]
[610,"OC(=O)c1occc1","88-14-2","O=C(O)c1ccco1","O=C(O)c1occc1",{"$nulls":4},112.01604398799999,"?"]
[611,"CC(=O)c1sccc1","88-15-3","CC(=O)c1cccs1","CC(=O)c1sccc1",{"$nulls":4},126.013935812,"?"]
[612,"CC(C)(C)c1ccccc1O","88-18-6","CC(C)(C)c1ccccc1O","CC(C)(C)c1c(cccc1)O",{"$nulls":4},150.104465068,"?"]
[613,"Cc1ccccc1[S](N)(=O)=O","88-19-7","Cc1ccccc1S(N)(=O)=O","Cc1c(cccc1)S(N)(=O)=O",{"$nulls":4},171.035399528,"?"]
[614,"Oc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O","88-30-2","O=[N+]([O-])c1ccc(O)cc1C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)O)C(F)(F)F",{"$nulls":4},207.014327648,"?"]
[615,"Cc1ccc(N)c(c1)[S](O)(=O)=O","88-44-8","Cc1ccc(N)c(S(=O)(=O)O)c1","Cc1cc(c(cc1)N)S(=O)(=O)O",{"$nulls":4},187.030314148,"?"]
[616,"OC(=O)c1ccccc1Br","88-65-3","O=C(O)c1ccccc1Br","O=C(O)c1c(cccc1)Br",{"$nulls":4},199.9472915,"?"]
[617,"OC(=O)c1ccccc1I","88-67-5","O=C(O)c1ccccc1I","O=C(O)c1c(cccc1)I",{"$nulls":4},247.9334274,"?"]
[618,"Cc1ccccc1[N+]([O-])=O","88-72-2","Cc1ccccc1[N+](=O)[O-]","Cc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},137.047678464,"?"]
[619,"[O-][N+](=O)c1ccccc1Cl","88-73-3","O=[N+]([O-])c1ccccc1Cl","O=[N+]([O-])c1c(cccc1)Cl",{"$nulls":4},156.993056048,"?"]
[620,"Nc1ccccc1[N+]([O-])=O","88-74-4","Nc1ccccc1[N+](=O)[O-]","Nc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},138.042927432,"?"]
[621,"Oc1ccccc1[N+]([O-])=O","88-75-5","O=[N+]([O-])c1ccccc1O","O=[N+]([O-])c1c(cccc1)O",{"$nulls":4},139.02694302,"?"]
[622,"CCC(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O","88-85-7","CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",{"$nulls":4},240.074621484,"?"]
[623,"[O-][N+](=O)c1cc(c(Cl)c(c1)[N+]([O-])=O)[N+]([O-])=O","88-88-0","O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]",{"$nulls":4},246.963212464,"?"]
[624,"Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","88-89-1","O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]",{"$nulls":4},228.997099436,"?"]
[625,"NC(=O)c1ccccc1C(N)=O","88-96-0","NC(=O)c1ccccc1C(N)=O","NC(=O)c1c(cccc1)C(N)=O",{"$nulls":4},164.058577496,"?"]
[626,"OC(=O)c1ccccc1C(O)=O","88-99-3","O=C(O)c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(=O)O",{"$nulls":4},166.026608672,"?"]
[627,"OC(=O)c1cccnc1C(O)=O","89-00-9","O=C(O)c1cccnc1C(=O)O","O=C(O)c1c(nccc1)C(=O)O",{"$nulls":4},167.02185764,"?"]
[628,"OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(O)=O","89-05-4","O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O","O=C(O)c1c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O",{"$nulls":4},254.00626715200002,"?"]
[629,"NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)cnc2N1","89-38-3","Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)cnc2[nH]1","Nc1[nH]c2c(c(n1)=O)nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cn2",{"$nulls":4},699.2248674960009,"?"]
[630,"COc1ccc(OC)c(c1)[N+]([O-])=O","89-39-4","COc1ccc(OC)c([N+](=O)[O-])c1","COc1cc(c(cc1)OC)[N+](=O)[O-]",{"$nulls":4},183.053157768,"?"]
[631,"OC(=O)Cc1ccccc1C(O)=O","89-51-0","O=C(O)Cc1ccccc1C(=O)O","O=C(O)Cc1c(cccc1)C(=O)O",{"$nulls":4},180.042258736,"?"]
[632,"Cc1ccc(O)c(c1)C(O)=O","89-56-5","Cc1ccc(O)c(C(=O)O)c1","Cc1cc(c(cc1)O)C(=O)O",{"$nulls":4},152.047344116,"?"]
[633,"[O-][N+](=O)c1cc(Cl)ccc1Cl","89-61-2","O=[N+]([O-])c1cc(Cl)ccc1Cl","O=[N+]([O-])c1c(ccc(c1)Cl)Cl",{"$nulls":4},190.954083696,"?"]
[634,"Nc1ccc(Cl)cc1[N+]([O-])=O","89-63-4","Nc1ccc(Cl)cc1[N+](=O)[O-]","Nc1c(cc(cc1)Cl)[N+](=O)[O-]",{"$nulls":4},172.00395508,"?"]
[635,"Oc1ccc(Cl)cc1[N+]([O-])=O","89-64-5","O=[N+]([O-])c1cc(Cl)ccc1O","O=[N+]([O-])c1c(ccc(c1)Cl)O",{"$nulls":4},172.987970668,"?"]
[636,"[Na+].OC[CH](O)C1OC(=O)[C-](O)C1=O","89-65-6","O=C1OC(C(O)CO)C(=O)[C-]1O","O=C1C(C(C(O1)C(O)CO)=O)O","[Na+]",{"$nulls":3},198.014032224,"Structure has been neutralized"]
[637,"OCC(O)C(O)C1OC(=O)C(O)C1O","89-67-8","O=C1OC(C(O)C(O)CO)C(O)C1O","O=C1C(C(C(O1)C(O)C(O)CO)O)O",{"$nulls":4},208.05830272400001,"?"]
[638,"CC(C)c1cc(Cl)c(C)cc1O","89-68-9","Cc1cc(O)c(C(C)C)cc1Cl","Cc1c(cc(c(c1)O)C(C)C)Cl",{"$nulls":4},184.065492716,"?"]
[639,"[O-][N+](=O)c1cc(Cl)c(Cl)cc1Cl","89-69-0","O=[N+]([O-])c1cc(Cl)c(Cl)cc1Cl","O=[N+]([O-])c1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},224.915111344,"?"]
[640,"CC(C)[CH]1CC[CH](C)C[CH]1O","89-78-1","CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O",{"$nulls":4},156.15141526,"?"]
[641,"CC(C)C1CCC(C)CC1=O","89-80-5","CC1CCC(C(C)C)C(=O)C1","CC1CC(C(CC1)C(C)C)=O",{"$nulls":4},154.135765196,"?"]
[642,"CC(C)c1ccc(C)cc1O","89-83-8","Cc1ccc(C(C)C)c(O)c1","Cc1cc(c(cc1)C(C)C)O",{"$nulls":4},150.104465068,"?"]
[643,"OC(=O)c1ccc(O)cc1O","89-86-1","O=C(O)c1ccc(O)cc1O","O=C(O)c1c(cc(cc1)O)O",{"$nulls":4},154.026608672,"?"]
[644,"CCc1ccccc1O","90-00-6","CCc1ccccc1O","CCc1c(cccc1)O",{"$nulls":4},122.07316494,"?"]
[645,"OCc1ccccc1O","90-01-7","OCc1ccccc1O","OCc1c(cccc1)O",{"$nulls":4},124.052429496,"?"]
[646,"Oc1ccccc1C=O","90-02-8","O=Cc1ccccc1O","O=Cc1c(cccc1)O",{"$nulls":4},122.036779432,"?"]
[647,"COc1ccccc1N","90-04-0","COc1ccccc1N","COc1c(cccc1)N",{"$nulls":4},123.068413908,"?"]
[648,"COc1ccccc1O","90-05-1","COc1ccccc1O","COc1c(cccc1)O",{"$nulls":4},124.052429496,"?"]
[649,"Brc1cccc2ccccc12","90-11-9","Brc1cccc2ccccc12","Brc1c2c(ccc1)cccc2",{"$nulls":4},205.973112324,"?"]
[650,"Cc1cccc2ccccc12","90-12-0","Cc1cccc2ccccc12","Cc1c2c(ccc1)cccc2",{"$nulls":4},142.07825032,"?"]
[651,"Clc1cccc2ccccc12","90-13-1","Clc1cccc2ccccc12","Clc1c2c(ccc1)cccc2",{"$nulls":4},162.023627904,"?"]
[652,"Ic1cccc2ccccc12","90-14-2","Ic1cccc2ccccc12","Ic1c2c(ccc1)cccc2",{"$nulls":4},253.959248224,"?"]
[653,"Oc1cccc2ccccc12","90-15-3","Oc1cccc2ccccc12","Oc1c2c(ccc1)cccc2",{"$nulls":4},144.057514876,"?"]
[654,"N(c1ccccc1)c2cccc3ccccc23","90-30-2","c1ccc(Nc2cccc3ccccc23)cc1","c1ccc(cc1)Nc2c3c(ccc2)cccc3",{"$nulls":4},219.104799416,"?"]
[655,"C1CCN2C[CH]3C[CH](CN4CCCC[CH]34)[CH]2C1","90-39-1","C1CCN2CC3CC(CN4CCCCC34)C2C1","C1CC2N(CC1)CC3C4N(CC2C3)CCCC4",{"$nulls":4},234.20959883199998,"?"]
[656,"Oc1ccccc1c2ccccc2","90-43-7","Oc1ccccc1-c1ccccc1","Oc1c(cccc1)-c2ccccc2",{"$nulls":4},170.07316494,"?"]
[657,"OC(C(O)=O)c1ccccc1","90-64-2","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",{"$nulls":4},152.047344116,"?"]
[658,null,"90-65-3",{"$nulls":7},""]
[659,"OCC1OC(=O)C(O)C(O)C1O","90-80-2","O=C1OC(CO)C(O)C(O)C1O","O=C1C(C(C(C(O1)CO)O)O)O",{"$nulls":4},178.04773804,"?"]
[660,"CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C","90-94-8","CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1","CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C",{"$nulls":4},268.15756326000036,"?"]
[661,"OC(c1ccccc1)c2ccccc2","91-01-0","OC(c1ccccc1)c1ccccc1","OC(c1ccccc1)c2ccccc2",{"$nulls":4},184.088815004,"?"]
[662,"COc1cccc(OC)c1O","91-10-1","COc1cccc(OC)c1O","COc1c(c(ccc1)OC)O",{"$nulls":4},154.06299418,"?"]
[663,"N#Cc1ccccc1C#N","91-15-6","N#Cc1ccccc1C#N","N#Cc1c(cccc1)C#N",{"$nulls":4},128.037448128,"?"]
[664,"C1CCC2CCCCC2C1","91-17-8","C1CCC2CCCCC2C1","C1CC2C(CC1)CCCC2",{"$nulls":4},138.140850576,"?"]
[665,"c1cnc2ncncc2n1","91-18-9","c1cnc2ncncc2n1","c1nc2c(nc1)ncnc2",{"$nulls":4},132.043596128,"?"]
[666,"c1ccc2nccnc2c1","91-19-0","c1ccc2nccnc2c1","c1cc2c(cc1)nccn2",{"$nulls":4},130.053098192,"?"]
[667,"c1ccc2ccccc2c1","91-20-3","c1ccc2ccccc2c1","c1cc2c(cc1)cccc2",{"$nulls":4},128.062600256,"?"]
[668,"c1ccc2ncccc2c1","91-22-5","c1ccc2ncccc2c1","c1cc2c(cc1)nccc2",{"$nulls":4},129.057849224,"?"]
[669,"COc1ccccc1[N+]([O-])=O","91-23-6","COc1ccccc1[N+](=O)[O-]","COc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},153.042593084,"?"]
[670,"Cc1ccc2ccccc2c1","91-57-6","Cc1ccc2ccccc2c1","Cc1cc2c(cc1)cccc2",{"$nulls":4},142.07825032,"?"]
[671,"Clc1ccc2ccccc2c1","91-58-7","Clc1ccc2ccccc2c1","Clc1cc2c(cc1)cccc2",{"$nulls":4},162.023627904,"?"]
[672,"Nc1ccc2ccccc2c1","91-59-8","Nc1ccc2ccccc2c1","Nc1cc2c(cc1)cccc2",{"$nulls":4},143.073499288,"?"]
[673,"O=C1Oc2ccccc2C=C1","91-64-5","O=c1ccc2ccccc2o1","O=c1oc2c(cc1)cccc2",{"$nulls":4},146.036779432,"?"]
[674,"CCN(CC)c1ccccc1","91-66-7","CCN(CC)c1ccccc1","CCN(CC)c1ccccc1",{"$nulls":4},149.12044948,"?"]
[675,"[H+].[Cl-].C1CN=C(CN(Cc2ccccc2)c3ccccc3)N1","91-75-8","c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1","c1ccc(cc1)CN(CC=2NCCN2)c3ccccc3","[Cl-]","[H+]",null,null,301.1345753200003,"?"]
[676,"Nc1nc(N)nc(n1)c2ccccc2","91-76-9","Nc1nc(N)nc(-c2ccccc2)n1","Nc1nc(nc(n1)N)-c2ccccc2",{"$nulls":4},187.08579528799999,"?"]
[677,"CN(C)CCN(Cc1cscc1)c2ccccn2","91-79-2","CN(C)CCN(Cc1ccsc1)c1ccccn1","CN(C)CCN(Cc1cscc1)c2ncccc2",{"$nulls":4},261.1299686080001,"?"]
[678,"CN(C)CCN(Cc1sccc1)c2ccccn2","91-80-5","CN(C)CCN(Cc1cccs1)c1ccccn1","CN(C)CCN(Cc1sccc1)c2ncccc2",{"$nulls":4},261.1299686080001,"?"]
[679,"[H+].[Cl-].CN(C)CCN(Cc1ccccc1)c2ccccn2","91-81-6","CN(C)CCN(Cc1ccccc1)c1ccccn1","CN(C)CCN(Cc1ccccc1)c2ncccc2","[Cl-]","[H+]",null,null,291.150225384,"?"]
[680,"Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2","91-94-1","Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl","Nc1c(cc(cc1)-c2cc(c(cc2)N)Cl)Cl",{"$nulls":4},252.02210368,"?"]
[681,"Oc1ccc(cc1O)c2ccccc2","92-05-7","Oc1ccc(-c2ccccc2)cc1O","Oc1c(cc(cc1)-c2ccccc2)O",{"$nulls":4},186.06807956,"?"]
[682,"c1ccc(cc1)c2cccc(c2)c3ccccc3","92-06-8","c1ccc(-c2cccc(-c3ccccc3)c2)cc1","c1ccc(cc1)-c2cc(ccc2)-c3ccccc3",{"$nulls":4},230.109550448,"?"]
[683,"c1ccc2cc3cc4ccccc4cc3cc2c1","92-24-0","c1ccc2cc3cc4ccccc4cc3cc2c1","c1cc2c(cc1)cc3c(cc4c(c3)cccc4)c2",{"$nulls":4},228.093900384,"?"]
[684,"[Cl-].CN(C)c1ccc2nc3cc(C)c(N)cc3[s+]c2c1","92-31-9","Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N","Cc1c(cc2c(c1)nc3c(cc(cc3)N(C)C)[s+]2)N","[Cl-]",{"$nulls":3},305.0753461920004,"?"]
[685,"Oc1cc2ccccc2cc1O","92-44-4","Oc1cc2ccccc2cc1O","Oc1c(cc2c(c1)cccc2)O",{"$nulls":4},160.052429496,"?"]
[686,"CCN(CCO)c1ccccc1","92-50-2","CCN(CCO)c1ccccc1","CCN(CCO)c1ccccc1",{"$nulls":4},165.1153641,"?"]
[687,"c1ccc(cc1)c2ccccc2","92-52-4","c1ccc(-c2ccccc2)cc1","c1ccc(cc1)-c2ccccc2",{"$nulls":4},154.07825032,"?"]
[688,"Nc1ccc2cc3ccc(N)cc3nc2c1","92-62-6","Nc1ccc2cc3ccc(N)cc3nc2c1","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2",{"$nulls":4},209.095297352,"?"]
[689,"Brc1ccc(cc1)c2ccccc2","92-66-0","Brc1ccc(-c2ccccc2)cc1","Brc1ccc(cc1)-c2ccccc2",{"$nulls":4},231.988762388,"?"]
[690,"Oc1ccc(cc1)c2ccccc2","92-69-3","Oc1ccc(-c2ccccc2)cc1","Oc1ccc(cc1)-c2ccccc2",{"$nulls":4},170.07316494,"?"]
[691,"N1c2ccccc2Sc3ccccc13","92-84-2","c1ccc2c(c1)Nc1ccccc1S2","c1cc2c(cc1)Sc3c(N2)cccc3",{"$nulls":4},199.045570288,"?"]
[692,"Nc1ccc(cc1)c2ccc(N)cc2","92-87-5","Nc1ccc(-c2ccc(N)cc2)cc1","Nc1ccc(cc1)-c2ccc(cc2)N",{"$nulls":4},184.100048384,"?"]
[693,"CC(=O)c1ccc(cc1)c2ccccc2","92-91-1","CC(=O)c1ccc(-c2ccccc2)cc1","CC(=O)c1ccc(cc1)-c2ccccc2",{"$nulls":4},196.088815004,"?"]
[694,"[O-][N+](=O)c1ccc(cc1)c2ccccc2","92-93-3","O=[N+]([O-])c1ccc(-c2ccccc2)cc1","O=[N+]([O-])c1ccc(cc1)-c2ccccc2",{"$nulls":4},199.063328528,"?"]
[695,"c1ccc(cc1)c2ccc(cc2)c3ccccc3","92-94-4","c1ccc(-c2ccc(-c3ccccc3)cc2)cc1","c1ccc(cc1)-c2ccc(cc2)-c3ccccc3",{"$nulls":4},230.109550448,"?"]
[696,"COc1ccc(OC)c(C=O)c1","93-02-7","COc1ccc(OC)c(C=O)c1","COc1cc(c(cc1)OC)C=O",{"$nulls":4},166.06299418,"?"]
[697,"COc1ccc(cc1OC)C(O)=O","93-07-2","COc1ccc(C(=O)O)cc1OC","COc1c(cc(cc1)C(=O)O)OC",{"$nulls":4},182.0579088,"?"]
[698,"CC(=O)c1ccc2ccccc2c1","93-08-3","CC(=O)c1ccc2ccccc2c1","CC(=O)c1cc2c(cc1)cccc2",{"$nulls":4},170.07316494,"?"]
[699,"OC(=O)c1ccc2ccccc2c1","93-09-4","O=C(O)c1ccc2ccccc2c1","O=C(O)c1cc2c(cc1)cccc2",{"$nulls":4},172.052429496,"?"]
[700,"OC(=O)c1ccc2ccccc2n1","93-10-7","O=C(O)c1ccc2ccccc2n1","O=C(O)c1nc2c(cc1)cccc2",{"$nulls":4},173.047678464,"?"]
[701,"COc1ccccc1OCC(O)CO","93-14-1","COc1ccccc1OCC(O)CO","COc1c(cccc1)OCC(O)CO",{"$nulls":4},198.089208928,"?"]
[702,"COc1ccc(CC=C)cc1OC","93-15-2","C=CCc1ccc(OC)c(OC)c1","C=CCc1cc(c(cc1)OC)OC",{"$nulls":4},178.099379688,"?"]
[703,"Cc1ccc2ccc(C)nc2c1","93-37-8","Cc1ccc2ccc(C)nc2c1","Cc1cc2c(cc1)ccc(C)n2",{"$nulls":4},157.089149352,"?"]
[704,"CCC(=O)c1ccccc1","93-55-0","CCC(=O)c1ccccc1","CCC(=O)c1ccccc1",{"$nulls":4},134.07316494,"?"]
[705,"COC(=O)c1ccccc1","93-58-3","COC(=O)c1ccccc1","COC(=O)c1ccccc1",{"$nulls":4},136.052429496,"?"]
[706,"COC(=O)c1cccnc1","93-60-7",null,null,"COC(=O)c1cccnc1",{"$nulls":3},594.8325853720003,"?"]
[707,"CC(Oc1ccc(Cl)cc1C)C(O)=O","93-65-2","Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",{"$nulls":4},214.039671892,"?"]
[708,"ClCC(=O)N(CC=C)CC=C","93-71-0","C=CCN(CC=C)C(=O)CCl","C=CCN(CC=C)C(=O)CCl",{"$nulls":4},173.060741684,"?"]
[709,"CC(Oc1cc(Cl)c(Cl)cc1Cl)C(O)=O","93-72-1","CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O",{"$nulls":4},267.94607712400017,"?"]
[710,"OC(=O)COc1cc(Cl)c(Cl)cc1Cl","93-76-5","O=C(O)COc1cc(Cl)c(Cl)cc1Cl","O=C(O)COc1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},253.93042705999997,"?"]
[711,"OC(=O)CCCOc1cc(Cl)c(Cl)cc1Cl","93-80-1","O=C(O)CCCOc1cc(Cl)c(Cl)cc1Cl","O=C(O)CCCOc1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},281.9617271880003,"?"]
[712,"CNCC(C)c1ccccc1","93-88-9","CNCC(C)c1ccccc1","CNCC(C)c1ccccc1",{"$nulls":4},149.12044948,"?"]
[713,"CCOC(=O)c1ccccc1","93-89-0","CCOC(=O)c1ccccc1","CCOC(=O)c1ccccc1",{"$nulls":4},150.06807956,"?"]
[714,"CC(=O)CC(=O)c1ccccc1","93-91-4","CC(=O)CC(=O)c1ccccc1","CC(=O)CC(=O)c1ccccc1",{"$nulls":4},162.06807956,"?"]
[715,"O=C(OC(=O)c1ccccc1)c2ccccc2","93-97-0","O=C(OC(=O)c1ccccc1)c1ccccc1","O=C(OC(=O)c1ccccc1)c2ccccc2",{"$nulls":4},226.06299417999998,"?"]
[716,"CCOC(=O)c1ccc(N)cc1","94-09-7","CCOC(=O)c1ccc(N)cc1","CCOC(=O)c1ccc(cc1)N",{"$nulls":4},165.078978592,"?"]
[717,"CC(C)OC(=O)COc1ccc(Cl)cc1Cl","94-11-1","CC(C)OC(=O)COc1ccc(Cl)cc1Cl","CC(C)OC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},262.01634960400014,"?"]
[718,"CCCOC(=O)c1ccc(N)cc1","94-12-2","CCCOC(=O)c1ccc(N)cc1","CCCOC(=O)c1ccc(cc1)N",{"$nulls":4},179.094628656,"?"]
[719,"CCCOC(=O)c1ccc(O)cc1","94-13-3","CCCOC(=O)c1ccc(O)cc1","CCCOC(=O)c1ccc(cc1)O",{"$nulls":4},180.078644244,"?"]
[720,"CC(C)COC(=O)c1ccc(N)cc1","94-14-4","CC(C)COC(=O)c1ccc(N)cc1","CC(C)COC(=O)c1ccc(cc1)N",{"$nulls":4},193.11027872,"?"]
[721,"[H-].[Na+].CCc1sc(N[S](=O)(=O)c2ccc(N)cc2)nn1","94-19-9","CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","[Na+]","[H-]",null,null,308.0377619360004,"?"]
[722,"CCCNC(=O)N[S](=O)(=O)c1ccc(Cl)cc1","94-20-2","CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1","CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl",{"$nulls":4},276.03354095600037,"?"]
[723,"CCOc1ccc(cc1)C(=O)OCCN(CC)CC","94-23-5","CCOc1ccc(C(=O)OCCN(CC)CC)cc1","CCOc1ccc(cc1)C(=O)OCCN(CC)CC",{"$nulls":4},265.16779359600025,"?"]
[724,"CCCCOC(=O)c1ccc(N)cc1","94-25-7","CCCCOC(=O)c1ccc(N)cc1","CCCCOC(=O)c1ccc(cc1)N",{"$nulls":4},193.11027872,"?"]
[725,"CCCCOC(=O)c1ccc(O)cc1","94-26-8","CCCCOC(=O)c1ccc(O)cc1","CCCCOC(=O)c1ccc(cc1)O",{"$nulls":4},194.094294308,"?"]
[726,"O=C(OOC(=O)c1ccccc1)c2ccccc2","94-36-0","O=C(OOC(=O)c1ccccc1)c1ccccc1","O=C(OOC(=O)c1ccccc1)c2ccccc2",{"$nulls":4},242.0579088,"?"]
[727,"O=C(C=CC=Cc1ccc2OCOc2c1)N3CCCCC3","94-62-2","O=C(C=CC=Cc1ccc2c(c1)OCO2)N1CCCCC1","O=C(C=CC=Cc1cc2c(cc1)OCO2)N3CCCCC3",{"$nulls":4},285.13649346800054,"?"]
[728,"[I-].CN1C=CC=CC1=C[NH+]=O","94-63-3","CN1C=CC=CC1=C[NH+]=O","CN1C=CC=CC1=C[NH+]=O","[I-]",{"$nulls":3},263.975960908,"Errors in neutralization"]
[729,"Cc1cc(Cl)ccc1OCC(O)=O","94-74-6","Cc1cc(Cl)ccc1OCC(=O)O","Cc1c(ccc(c1)Cl)OCC(=O)O",{"$nulls":4},200.024021828,"?"]
[730,"OC(=O)COc1ccc(Cl)cc1Cl","94-75-7","O=C(O)COc1ccc(Cl)cc1Cl","O=C(O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},219.96939941199997,"?"]
[731,null,"94-77-9",{"$nulls":7},""]
[732,"CCCCOC(=O)COc1ccc(Cl)cc1Cl","94-80-4","CCCCOC(=O)COc1ccc(Cl)cc1Cl","CCCCOC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},276.03199966800037,"?"]
[733,"Cc1cc(Cl)ccc1OCCCC(O)=O","94-81-5","Cc1cc(Cl)ccc1OCCCC(=O)O","Cc1c(ccc(c1)Cl)OCCCC(=O)O",{"$nulls":4},228.055321956,"?"]
[734,"OC(=O)CCCOc1ccc(Cl)cc1Cl","94-82-6","O=C(O)CCCOc1ccc(Cl)cc1Cl","O=C(O)CCCOc1c(cc(cc1)Cl)Cl",{"$nulls":4},248.00069954,"?"]
[735,"Clc1ccc(OCCOC(=O)c2ccccc2)c(Cl)c1","94-83-7","O=C(OCCOc1ccc(Cl)cc1Cl)c1ccccc1","O=C(OCCOc1c(cc(cc1)Cl)Cl)c2ccccc2",{"$nulls":4},310.0163496040003,"?"]
[736,"CCCC(O)C(CC)CO","94-96-2","CCCC(O)C(CC)CO","CCCC(O)C(CC)CO",{"$nulls":4},146.130679816,"?"]
[737,"CCN(CC)C(=S)SCC(Cl)=C","95-06-7","C=C(Cl)CSC(=S)N(CC)CC","C=C(Cl)CSC(=S)N(CC)CC",{"$nulls":4},223.025619128,"?"]
[738,"CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC","95-08-9","CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC","CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC",{"$nulls":4},346.23553880800097,"?"]
[739,"[nH]1nc2ccccc2n1","95-14-7","c1ccc2n[nH]nc2c1","c1cc2c(cc1)n[nH]n2",{"$nulls":4},119.04834715999999,"?"]
[740,"s1ccc2ccccc12","95-15-8","c1ccc2sccc2c1","c1cc2c(cc1)scc2",{"$nulls":4},134.019021192,"?"]
[741,"s1cnc2ccccc12","95-16-9","c1ccc2scnc2c1","c1cc2c(cc1)scn2",{"$nulls":4},135.01427016,"?"]
[742,"CC(NO)=C(C)N=O","95-45-4","CC(N=O)=C(C)NO","CC(N=O)=C(C)NO",{"$nulls":4},116.058577496,"?"]
[743,"Cc1ccccc1C","95-47-6","Cc1ccccc1C","Cc1c(cccc1)C",{"$nulls":4},106.07825032,"?"]
[744,"Cc1ccccc1O","95-48-7","Cc1ccccc1O","Cc1c(cccc1)O",{"$nulls":4},108.057514876,"?"]
[745,"Cc1ccccc1Cl","95-49-8","Cc1ccccc1Cl","Cc1c(cccc1)Cl",{"$nulls":4},126.023627904,"?"]
[746,"Clc1ccccc1Cl","95-50-1","Clc1ccccc1Cl","Clc1c(cccc1)Cl",{"$nulls":4},145.969005488,"?"]
[747,"Nc1ccccc1Cl","95-51-2","Nc1ccccc1Cl","Nc1c(cccc1)Cl",{"$nulls":4},127.01887687199999,"?"]
[748,"Cc1ccccc1N","95-53-4","Cc1ccccc1N","Cc1c(cccc1)N",{"$nulls":4},107.073499288,"?"]
[749,"Nc1ccccc1N","95-54-5","Nc1ccccc1N","Nc1c(cccc1)N",{"$nulls":4},108.06874825599999,"?"]
[750,"Nc1ccccc1O","95-55-6","Nc1ccccc1O","Nc1c(cccc1)O",{"$nulls":4},109.052763844,"?"]
[751,"Oc1ccccc1Cl","95-57-8","Oc1ccccc1Cl","Oc1c(cccc1)Cl",{"$nulls":4},128.00289246,"?"]
[752,"Cc1ccc(C)c(C)c1","95-63-6","Cc1ccc(C)c(C)c1","Cc1cc(c(cc1)C)C",{"$nulls":4},120.093900384,"?"]
[753,"Cc1ccc(N)cc1C","95-64-7","Cc1ccc(N)cc1C","Cc1c(cc(cc1)N)C",{"$nulls":4},121.08914935199999,"?"]
[754,"Cc1ccc(O)cc1C","95-65-8","Cc1ccc(O)cc1C","Cc1c(cc(cc1)O)C",{"$nulls":4},122.07316494,"?"]
[755,"Cc1ccc(Cl)c(Cl)c1","95-75-0","Cc1ccc(Cl)c(Cl)c1","Cc1cc(c(cc1)Cl)Cl",{"$nulls":4},159.984655552,"?"]
[756,"Nc1ccc(Cl)c(Cl)c1","95-76-1","Nc1ccc(Cl)c(Cl)c1","Nc1cc(c(cc1)Cl)Cl",{"$nulls":4},160.97990452,"?"]
[757,"Oc1ccc(Cl)c(Cl)c1","95-77-2","Oc1ccc(Cl)c(Cl)c1","Oc1cc(c(cc1)Cl)Cl",{"$nulls":4},161.963920108,"?"]
[758,"Cc1ccc(C)c(N)c1","95-78-3","Cc1ccc(C)c(N)c1","Cc1cc(c(cc1)C)N",{"$nulls":4},121.08914935199999,"?"]
[759,"Cc1ccc(C)c(O)c1","95-87-4","Cc1ccc(C)c(O)c1","Cc1cc(c(cc1)C)O",{"$nulls":4},122.07316494,"?"]
[760,"CCOC(=O)C(=O)OCC","95-92-1","CCOC(=O)C(=O)OCC","CCOC(=O)C(=O)OCC",{"$nulls":4},146.0579088,"?"]
[761,"Cc1cc(C)c(C)cc1C","95-93-2","Cc1cc(C)c(C)cc1C","Cc1c(cc(c(c1)C)C)C",{"$nulls":4},134.109550448,"?"]
[762,"Clc1cc(Cl)c(Cl)cc1Cl","95-94-3","Clc1cc(Cl)c(Cl)cc1Cl","Clc1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},213.891060784,"?"]
[763,"Oc1cc(Cl)c(Cl)cc1Cl","95-95-4","Oc1cc(Cl)c(Cl)cc1Cl","Oc1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},195.924947756,"?"]
[764,"C1OC1c2ccccc2","96-09-3","c1ccc(C2CO2)cc1","c1ccc(cc1)C2OC2",{"$nulls":4},120.057514876,"?"]
[765,"ClCC(Br)CBr","96-12-8","ClCC(Br)CBr","ClCC(Br)CBr",{"$nulls":4},233.84465204,"?"]
[766,"OCC(Br)CBr","96-13-9","OCC(Br)CBr","OCC(Br)CBr",{"$nulls":4},215.878539012,"?"]
[767,"CCC(C)CC","96-14-0","CCC(C)CC","CCC(C)CC",{"$nulls":4},86.109550448,"?"]
[768,"ClCC(Cl)CCl","96-18-4","ClCC(Cl)CCl","ClCC(Cl)CCl",{"$nulls":4},145.9456832,"?"]
[769,"CCC(N)CO","96-20-8","CCC(N)CO","CCC(N)CO",{"$nulls":4},89.084063972,"?"]
[770,"CCC(=O)CC","96-22-0","CCC(=O)CC","CCC(=O)CC",{"$nulls":4},86.07316494,"?"]
[771,"OC(CCl)CCl","96-23-1","OC(CCl)CCl","OC(CCl)CCl",{"$nulls":4},127.979570172,"?"]
[772,"OCC(O)CCl","96-24-2","OCC(O)CCl","OCC(O)CCl",{"$nulls":4},110.013457144,"?"]
[773,"CCC(C)=NO","96-29-7","CCC(C)=NO","CCC(C)=NO",{"$nulls":4},87.068413908,"?"]
[774,"COC(=O)C=C","96-33-3","C=CC(=O)OC","C=CC(=O)OC",{"$nulls":4},86.036779432,"?"]
[775,"COC(=O)CCl","96-34-4","COC(=O)CCl","COC(=O)CCl",{"$nulls":4},107.99780708,"?"]
[776,"CC1CCCC1","96-37-7","CC1CCCC1","CC1CCCC1",{"$nulls":4},84.093900384,"?"]
[777,"S=C1NCCN1","96-45-7","S=C1NCCN1","S=C1NCCN1",{"$nulls":4},102.02516919199999,"?"]
[778,"CC1CCCO1","96-47-9","CC1CCCO1","CC1OCCC1",{"$nulls":4},86.07316494,"?"]
[779,"O=C1CCCO1","96-48-0","O=C1CCCO1","O=C1OCCC1",{"$nulls":4},86.036779432,"?"]
[780,"O=C1OCCO1","96-49-1","O=C1OCCO1","O=C1OCCO1",{"$nulls":4},88.016043988,"?"]
[781,"CC(O[P](C)(F)=O)C(C)(C)C","96-64-0","CC(OP(C)(=O)F)C(C)(C)C","CC(OP(C)(=O)F)C(C)(C)C",{"$nulls":4},182.087194602,"?"]
[782,"CC(C)(C)c1ccc(O)c(c1)C(C)(C)C","96-76-4","CC(C)(C)c1ccc(O)c(C(C)(C)C)c1","CC(C)(C)c1cc(c(cc1)O)C(C)(C)C",{"$nulls":4},206.167065324,"?"]
[783,"CC(C)N(CCO)C(C)C","96-80-0","CC(C)N(CCO)C(C)C","CC(C)N(CCO)C(C)C",{"$nulls":4},145.146664228,"?"]
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[793,"Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O","97-23-4","Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O","Oc1c(cc(cc1)Cl)Cc2c(ccc(c2)Cl)O",{"$nulls":4},268.0057849200003,"?"]
[794,"COC1OC(CO)C(O)C(O)C1O","97-30-3","COC1OC(CO)C(O)C(O)C1O","COC1C(C(C(C(O1)CO)O)O)O",{"$nulls":4},194.079038168,"?"]
[795,"COc1cc(CC=C)ccc1O","97-53-0","C=CCc1ccc(O)c(OC)c1","C=CCc1cc(c(cc1)O)OC",{"$nulls":4},164.083729624,"?"]
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[797,"NC(=O)NC1NC(=O)NC1=O","97-59-6","NC(=O)NC1NC(=O)NC1=O","NC(=O)NC1C(NC(N1)=O)=O",{"$nulls":4},158.043990052,"?"]
[798,"CCCC(C)C(O)=O","97-61-0","CCCC(C)C(=O)O","CCCC(C)C(=O)O",{"$nulls":4},116.083729624,"?"]
[799,"CCOC(=O)C(C)=C","97-63-2","C=C(C)C(=O)OCC","C=C(C)C(=O)OCC",{"$nulls":4},114.06807956,"?"]
[800,"CCOC(=O)C(C)O","97-64-3","CCOC(=O)C(C)O","CCOC(=O)C(C)O",{"$nulls":4},118.06299418,"?"]
[801,"OC(=O)CC(=C)C(O)=O","97-65-4","C=C(CC(=O)O)C(=O)O","C=C(CC(=O)O)C(=O)O",{"$nulls":4},130.026608672,"?"]
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[804,"CCCCOC(=O)C(C)=C","97-88-1","C=C(C)C(=O)OCCCC","C=C(C)C(=O)OCCCC",{"$nulls":4},142.099379688,"?"]
[805,"CCC(CC)CO","97-95-0","CCC(CC)CO","CCC(CC)CO",{"$nulls":4},102.104465068,"?"]
[806,"OCC1CCCO1","97-99-4","OCC1CCCO1","OCC1OCCC1",{"$nulls":4},102.06807956,"?"]
[807,"OCc1occc1","98-00-0","OCc1ccco1","OCc1occc1",{"$nulls":4},98.036779432,"?"]
[808,"O=Cc1occc1","98-01-1","O=Cc1ccco1","O=Cc1occc1",{"$nulls":4},96.021129368,"?"]
[809,"CC(C)(C)c1ccccc1","98-06-6","CC(C)(C)c1ccccc1","CC(C)(C)c1ccccc1",{"$nulls":4},134.109550448,"?"]
[810,"ClC(Cl)(Cl)c1ccccc1","98-07-7","ClC(Cl)(Cl)c1ccccc1","ClC(Cl)(Cl)c1ccccc1",{"$nulls":4},193.9456832,"?"]
[811,"FC(F)(F)c1ccccc1","98-08-8","FC(F)(F)c1ccccc1","FC(F)(F)c1ccccc1",{"$nulls":4},146.03433482,"?"]
[812,"N[S](=O)(=O)c1ccccc1","98-10-2","NS(=O)(=O)c1ccccc1","NS(=O)(=O)c1ccccc1",{"$nulls":4},157.019749464,"?"]
[813,"Nc1cccc(c1)C(F)(F)F","98-16-8","Nc1cccc(C(F)(F)F)c1","Nc1cc(ccc1)C(F)(F)F",{"$nulls":4},161.045233852,"?"]
[814,"CC(C)(C)c1ccc(O)c(O)c1","98-29-3","CC(C)(C)c1ccc(O)c(O)c1","CC(C)(C)c1cc(c(cc1)O)O",{"$nulls":4},166.099379688,"?"]
[815,"Nc1cc(ccc1O)[S](O)(=O)=O","98-37-3","Nc1cc(S(=O)(=O)O)ccc1O","Nc1c(ccc(c1)S(=O)(=O)O)O",{"$nulls":4},189.009578704,"?"]
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[819,"CC(C)(C)c1ccc(O)cc1","98-54-4","CC(C)(C)c1ccc(O)cc1","CC(C)(C)c1ccc(cc1)O",{"$nulls":4},150.104465068,"?"]
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[821,"Cl[S](=O)(=O)c1ccc(I)cc1","98-61-3","O=S(=O)(Cl)c1ccc(I)cc1","O=S(=O)(Cl)c1ccc(cc1)I",{"$nulls":4},301.8665260480001,"?"]
[822,"CC(C)(C)c1ccc(cc1)C(O)=O","98-73-7","CC(C)(C)c1ccc(C(=O)O)cc1","CC(C)(C)c1ccc(cc1)C(=O)O",{"$nulls":4},178.099379688,"?"]
[823,"OC(=O)C1CCC(=O)N1","98-79-3","O=C1CCC(C(=O)O)N1","O=C1NC(CC1)C(=O)O",{"$nulls":4},129.042593084,"?"]
[824,"CC(C)c1ccccc1","98-82-8","CC(C)c1ccccc1","CC(C)c1ccccc1",{"$nulls":4},120.093900384,"?"]
[825,"CC(=C)c1ccccc1","98-83-9","C=C(C)c1ccccc1","C=C(C)c1ccccc1",{"$nulls":4},118.07825032,"?"]
[826,"CC(N)c1ccccc1","98-84-0","CC(N)c1ccccc1","CC(N)c1ccccc1",{"$nulls":4},121.08914935199999,"?"]
[827,"CC(O)c1ccccc1","98-85-1","CC(O)c1ccccc1","CC(O)c1ccccc1",{"$nulls":4},122.07316494,"?"]
[828,"CC(=O)c1ccccc1","98-86-2","CC(=O)c1ccccc1","CC(=O)c1ccccc1",{"$nulls":4},120.057514876,"?"]
[829,"ClC(Cl)c1ccccc1","98-87-3","ClC(Cl)c1ccccc1","ClC(Cl)c1ccccc1",{"$nulls":4},159.984655552,"?"]
[830,"OC(=O)C1CCCCC1","98-89-5","O=C(O)C1CCCCC1","O=C(O)C1CCCCC1",{"$nulls":4},128.083729624,"?"]
[831,"NC(=O)c1cccnc1","98-92-0","NC(=O)c1cccnc1","NC(=O)c1cnccc1",{"$nulls":4},122.048012812,"?"]
[832,"[O-][N+](=O)c1ccccc1","98-95-3","O=[N+]([O-])c1ccccc1","O=[N+]([O-])c1ccccc1",{"$nulls":4},123.0320284,"?"]
[833,"NC(=O)c1cnccn1","98-96-4","NC(=O)c1cnccn1","NC(=O)c1nccnc1",{"$nulls":4},123.04326178,"?"]
[834,"OC(=O)c1ccccn1","98-98-6","O=C(O)c1ccccn1","O=C(O)c1ncccc1",{"$nulls":4},123.0320284,"?"]
[835,"Cc1cccc(c1)C(O)=O","99-04-7","Cc1cccc(C(=O)O)c1","Cc1cc(ccc1)C(=O)O",{"$nulls":4},136.052429496,"?"]
[836,"Nc1cccc(c1)C(O)=O","99-05-8","Nc1cccc(C(=O)O)c1","Nc1cc(ccc1)C(=O)O",{"$nulls":4},137.047678464,"?"]
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[854,"CCCC(CCC)C(O)=O","99-66-1","CCCC(CCC)C(=O)O","CCCC(CCC)C(=O)O",{"$nulls":4},144.115029752,"?"]
[855,"CCC(C)c1ccc(O)cc1","99-71-8","CCC(C)c1ccc(O)cc1","CCC(C)c1ccc(cc1)O",{"$nulls":4},150.104465068,"?"]
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[857,"CC1CCC(CC1)C(C)C","99-82-1","CC1CCC(C(C)C)CC1","CC1CCC(CC1)C(C)C",{"$nulls":4},140.15650064,"?"]
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[861,"CC(=O)c1ccc(O)cc1","99-93-4","CC(=O)c1ccc(O)cc1","CC(=O)c1ccc(cc1)O",{"$nulls":4},136.052429496,"?"]
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[864,"CN(C)c1ccc(C)cc1","99-97-8","Cc1ccc(N(C)C)cc1","Cc1ccc(cc1)N(C)C",{"$nulls":4},135.104799416,"?"]
[865,"Cc1ccc(cc1)[N+]([O-])=O","99-99-0","Cc1ccc([N+](=O)[O-])cc1","Cc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},137.047678464,"?"]
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[867,"Nc1ccc(cc1)[N+]([O-])=O","100-01-6","Nc1ccc([N+](=O)[O-])cc1","Nc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},138.042927432,"?"]
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[874,"CCN(CC)CCO","100-37-8","CCN(CC)CCO","CCN(CC)CCO",{"$nulls":4},117.1153641,"?"]
[875,"C=CC1CCC=CC1","100-40-3","C=CC1CC=CCC1","C=CC1CCC=CC1",{"$nulls":4},108.093900384,"?"]
[876,"CCc1ccccc1","100-41-4","CCc1ccccc1","CCc1ccccc1",{"$nulls":4},106.07825032,"?"]
[877,"C=Cc1ccccc1","100-42-5","C=Cc1ccccc1","C=Cc1ccccc1",{"$nulls":4},104.062600256,"?"]
[878,"C=Cc1ccncc1","100-43-6","C=Cc1ccncc1","C=Cc1ccncc1",{"$nulls":4},105.057849224,"?"]
[879,"ClCc1ccccc1","100-44-7","ClCc1ccccc1","ClCc1ccccc1",{"$nulls":4},126.023627904,"?"]
[880,"NCc1ccccc1","100-46-9","NCc1ccccc1","NCc1ccccc1",{"$nulls":4},107.073499288,"?"]
[881,"N#Cc1ccccc1","100-47-0","N#Cc1ccccc1","N#Cc1ccccc1",{"$nulls":4},103.04219916,"?"]
[882,"N#Cc1ccncc1","100-48-1","N#Cc1ccncc1","N#Cc1ccncc1",{"$nulls":4},104.037448128,"?"]
[883,"OCc1ccccc1","100-51-6","OCc1ccccc1","OCc1ccccc1",{"$nulls":4},108.057514876,"?"]
[884,"O=Cc1ccccc1","100-52-7","O=Cc1ccccc1","O=Cc1ccccc1",{"$nulls":4},106.041864812,"?"]
[885,"N#Cc1cccnc1","100-54-9","N#Cc1cccnc1","N#Cc1cnccc1",{"$nulls":4},104.037448128,"?"]
[886,"OCc1cccnc1","100-55-0","OCc1cccnc1","OCc1cnccc1",{"$nulls":4},109.052763844,"?"]
[887,"O|[Hg]c1ccccc1","100-57-2",{"$nulls":7},""]
[888,"CNc1ccccc1","100-61-8","CNc1ccccc1","CNc1ccccc1",{"$nulls":4},107.073499288,"?"]
[889,"[H+].[Cl-].NNc1ccccc1","100-63-0","NNc1ccccc1","NNc1ccccc1","[Cl-]","[H+]",null,null,144.045425968,"?"]
[890,"ON=C1CCCCC1","100-64-1","ON=C1CCCCC1","ON=C1CCCCC1",{"$nulls":4},113.084063972,"?"]
[891,"ONc1ccccc1","100-65-2","ONc1ccccc1","ONc1ccccc1",{"$nulls":4},109.052763844,"?"]
[892,"COc1ccccc1","100-66-3","COc1ccccc1","COc1ccccc1",{"$nulls":4},108.057514876,"?"]
[893,"CSc1ccccc1","100-68-5","CSc1ccccc1","CSc1ccccc1",{"$nulls":4},124.034671256,"?"]
[894,"C=Cc1ccccn1","100-69-6","C=Cc1ccccn1","C=Cc1ncccc1",{"$nulls":4},105.057849224,"?"]
[895,"CCc1ccccn1","100-71-0","CCc1ccccn1","CCc1ncccc1",{"$nulls":4},107.073499288,"?"]
[896,"OCC1CCCCO1","100-72-1","OCC1CCCCO1","OCC1OCCCC1",{"$nulls":4},116.083729624,"?"]
[897,"CCN1CCOCC1","100-74-3","CCN1CCOCC1","CCN1CCOCC1",{"$nulls":4},115.099714036,"?"]
[898,"O=NN1CCCCC1","100-75-4","O=NN1CCCCC1","O=NN1CCCCC1",{"$nulls":4},114.07931294,"?"]
[899,"Cc1cccc(C=C)c1","100-80-1","C=Cc1cccc(C)c1","C=Cc1cc(ccc1)C",{"$nulls":4},118.07825032,"?"]
[900,"Oc1cccc(C=O)c1","100-83-4","O=Cc1cccc(O)c1","O=Cc1cc(ccc1)O",{"$nulls":4},122.036779432,"?"]
[901,"CC(=O)Nc1ccc(cc1)[S](=O)(=O)Nc2nc(C)cc(C)n2","100-90-3","CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(cc(n2)C)C",{"$nulls":4},320.0943113720005,"?"]
[902,"C1N2CN3CN1CN(C2)C3","100-97-0","C1N2CN3CN1CN(C2)C3","C1N2CN3CN1CN(C2)C3",{"$nulls":4},140.106196384,"?"]
[903,"Clc1nc(Cl)nc(Nc2ccccc2Cl)n1","101-05-3","Clc1nc(Cl)nc(Nc2ccccc2Cl)n1","Clc1nc(nc(n1)Cl)Nc2c(cccc2)Cl",{"$nulls":4},273.9579792000001,"?"]
[904,"CC(Oc1cccc(Cl)c1)C(O)=O","101-10-0","CC(Oc1cccc(Cl)c1)C(=O)O","CC(Oc1cc(ccc1)Cl)C(=O)O",{"$nulls":4},200.024021828,"?"]
[905,"Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl","101-14-4","Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl","Nc1c(cc(cc1)Cc2cc(c(cc2)N)Cl)Cl",{"$nulls":4},266.03775374400027,"?"]
[906,"CC(C)OC(=O)Nc1cccc(Cl)c1","101-21-3","CC(C)OC(=O)Nc1cccc(Cl)c1","CC(C)OC(=O)Nc1cc(ccc1)Cl",{"$nulls":4},213.055656304,"?"]
[907,"ClCC#CCOC(=O)Nc1cccc(Cl)c1","101-27-9","O=C(Nc1cccc(Cl)c1)OCC#CCCl","O=C(Nc1cc(ccc1)Cl)OCC#CCCl",{"$nulls":4},257.001033888,"?"]
[908,"CN1[CH]2CC[CH]1CC(C2)OC(=O)[CH](CO)c3ccccc3","101-31-5","CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3",{"$nulls":4},289.16779359600065,"?"]
[909,"CN(C)C(=O)Nc1ccccc1","101-42-8","CN(C)C(=O)Nc1ccccc1","CN(C)C(=O)Nc1ccccc1",{"$nulls":4},164.094963004,"?"]
[910,"Oc1ccc(Cc2ccccc2)cc1","101-53-1","Oc1ccc(Cc2ccccc2)cc1","Oc1ccc(cc1)Cc2ccccc2",{"$nulls":4},184.088815004,"?"]
[911,"Nc1ccc(Cc2ccc(N)cc2)cc1","101-77-9","Nc1ccc(Cc2ccc(N)cc2)cc1","Nc1ccc(cc1)Cc2ccc(cc2)N",{"$nulls":4},198.115698448,"?"]
[912,"C(c1ccccc1)c2ccccc2","101-81-5","c1ccc(Cc2ccccc2)cc1","c1ccc(cc1)Cc2ccccc2",{"$nulls":4},168.093900384,"?"]
[913,"O(c1ccccc1)c2ccccc2","101-84-8","c1ccc(Oc2ccccc2)cc1","c1ccc(cc1)Oc2ccccc2",{"$nulls":4},170.07316494,"?"]
[914,"NC(Nc1ccccc1)=Nc2ccccc2","102-06-7","NC(=Nc1ccccc1)Nc1ccccc1","NC(=Nc1ccccc1)Nc2ccccc2",{"$nulls":4},211.110947416,"?"]
[915,"O=C(Nc1ccccc1)Nc2ccccc2","102-07-8","O=C(Nc1ccccc1)Nc1ccccc1","O=C(Nc1ccccc1)Nc2ccccc2",{"$nulls":4},212.094963004,"?"]
[916,"CCc1cc(CC)cc(CC)c1","102-25-0","CCc1cc(CC)cc(CC)c1","CCc1cc(cc(c1)CC)CC",{"$nulls":4},162.140850576,"?"]
[917,"CCN(CC)CN(CC)CC","102-53-4","CCN(CC)CN(CC)CC","CCN(CC)CN(CC)CC",{"$nulls":4},158.17829870399999,"?"]
[918,"CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O","102-60-3","CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O","CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O",{"$nulls":4},292.2362075040009,"?"]
[919,"[Na+].[O-]C(=O)CCNC(=O)Nc1ccc(cc1)[N+]([O-])=O","102-66-9","O=C([O-])CCNC(=O)Nc1ccc([N+](=O)[O-])cc1","O=C(O)CCNC(=O)Nc1ccc(cc1)[N+](=O)[O-]","[Na+]",{"$nulls":3},275.0518147,"Structure has been neutralized"]
[920,"CCCN(CCC)CCC","102-69-2","CCCN(CCC)CCC","CCCN(CCC)CCC",{"$nulls":4},143.167399672,"?"]
[921,"C=CCN(CC=C)CC=C","102-70-5","C=CCN(CC=C)CC=C","C=CCN(CC=C)CC=C",{"$nulls":4},137.12044948,"?"]
[922,"OCCN(CCO)CCO","102-71-6","OCCN(CCO)CCO","OCCN(CCO)CCO",{"$nulls":4},149.10519334,"?"]
[923,"CC(=O)OCC(COC(C)=O)OC(C)=O","102-76-1","CC(=O)OCC(COC(C)=O)OC(C)=O","CC(=O)OCC(COC(C)=O)OC(C)=O",{"$nulls":4},218.079038168,"?"]
[924,"CCCCN(CCO)CCCC","102-81-8","CCCCN(CCO)CCCC","CCCCN(CCO)CCCC",{"$nulls":4},173.177964356,"?"]
[925,"CCCCN(CCCC)CCCC","102-82-9","CCCCN(CCCC)CCCC","CCCCN(CCCC)CCCC",{"$nulls":4},185.21434986399998,"?"]
[926,"CCCCC(CC)COC(=O)C=C","103-11-7","C=CC(=O)OCC(CC)CCCC","C=CC(=O)OCC(CC)CCCC",{"$nulls":4},184.14632988,"?"]
[927,"CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC","103-23-1","CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC",{"$nulls":4},370.3083098240012,"?"]
[928,"C(Cc1ccccc1)c2ccccc2","103-29-7","c1ccc(CCc2ccccc2)cc1","c1ccc(cc1)CCc2ccccc2",{"$nulls":4},182.109550448,"?"]
[929,"c1ccc(cc1)C=Cc2ccccc2","103-30-0","C(=Cc1ccccc1)c1ccccc1","C(=Cc1ccccc1)c2ccccc2",{"$nulls":4},180.093900384,"?"]
[930,"c1ccc(cc1)N=Nc2ccccc2","103-33-3","c1ccc(N=Nc2ccccc2)cc1","c1ccc(cc1)N=Nc2ccccc2",{"$nulls":4},182.08439832,"?"]
[931,"CCOC(=O)C=Cc1ccccc1","103-36-6","CCOC(=O)C=Cc1ccccc1","CCOC(=O)C=Cc1ccccc1",{"$nulls":4},176.083729624,"?"]
[932,"C(OCc1ccccc1)c2ccccc2","103-50-4","c1ccc(COCc2ccccc2)cc1","c1ccc(cc1)COCc2ccccc2",{"$nulls":4},198.104465068,"?"]
[933,"BrCCc1ccccc1","103-63-9","BrCCc1ccccc1","BrCCc1ccccc1",{"$nulls":4},183.988762388,"?"]
[934,"CCCc1ccccc1","103-65-1","CCCc1ccccc1","CCCc1ccccc1",{"$nulls":4},120.093900384,"?"]
[935,"CNCc1ccccc1","103-67-3","CNCc1ccccc1","CNCc1ccccc1",{"$nulls":4},121.08914935199999,"?"]
[936,"CCNc1ccccc1","103-69-5","CCNc1ccccc1","CCNc1ccccc1",{"$nulls":4},121.08914935199999,"?"]
[937,"O=CNc1ccccc1","103-70-8","O=CNc1ccccc1","O=CNc1ccccc1",{"$nulls":4},121.052763844,"?"]
[938,"S=C=Nc1ccccc1","103-72-0","S=C=Nc1ccccc1","S=C=Nc1ccccc1",{"$nulls":4},135.01427016,"?"]
[939,"CCOc1ccccc1","103-73-1","CCOc1ccccc1","CCOc1ccccc1",{"$nulls":4},122.07316494,"?"]
[940,"OC(=O)Cc1ccccc1","103-82-2","O=C(O)Cc1ccccc1","O=C(O)Cc1ccccc1",{"$nulls":4},136.052429496,"?"]
[941,"CN(C)Cc1ccccc1","103-83-3","CN(C)Cc1ccccc1","CN(C)Cc1ccccc1",{"$nulls":4},135.104799416,"?"]
[942,"CC(=O)Nc1ccccc1","103-84-4","CC(=O)Nc1ccccc1","CC(=O)Nc1ccccc1",{"$nulls":4},135.068413908,"?"]
[943,"NC(=S)Nc1ccccc1","103-85-5","NC(=S)Nc1ccccc1","NC(=S)Nc1ccccc1",{"$nulls":4},152.040819256,"?"]
[944,"CC(=O)Nc1ccc(C)cc1","103-89-9","CC(=O)Nc1ccc(C)cc1","CC(=O)Nc1ccc(cc1)C",{"$nulls":4},149.084063972,"?"]
[945,"CC(=O)Nc1ccc(O)cc1","103-90-2","CC(=O)Nc1ccc(O)cc1","CC(=O)Nc1ccc(cc1)O",{"$nulls":4},151.063328528,"?"]
[946,"CC(=O)Nc1ccc(cc1)[N+]([O-])=O","104-04-1","CC(=O)Nc1ccc([N+](=O)[O-])cc1","CC(=O)Nc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},180.053492116,"?"]
[947,"CC(=O)Nc1ccc(cc1)C=NNC(N)=S","104-06-3","CC(=O)Nc1ccc(C=NNC(N)=S)cc1","CC(=O)Nc1ccc(cc1)C=NNC(N)=S",{"$nulls":4},236.073182004,"?"]
[948,"Cc1ccc(cc1)[S](O)(=O)=O","104-15-4","Cc1ccc(S(=O)(=O)O)cc1","Cc1ccc(cc1)S(=O)(=O)O",{"$nulls":4},172.019415116,"?"]
[949,"Nc1ccc(cc1)[S](=O)(=O)NCc2ccccc2","104-22-3","Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1","Nc1ccc(cc1)S(=O)(=O)NCc2ccccc2",{"$nulls":4},262.0775986880002,"?"]
[950,"CCOCCOC(=O)C=Cc1ccc(OC)cc1","104-28-9","CCOCCOC(=O)C=Cc1ccc(OC)cc1","CCOCCOC(=O)C=Cc1ccc(cc1)OC",{"$nulls":4},250.120509056,"?"]
[951,"OCC(O)COc1ccc(Cl)cc1","104-29-0","OCC(O)COc1ccc(Cl)cc1","OCC(O)COc1ccc(cc1)Cl",{"$nulls":4},202.039671892,"?"]
[952,"CCCCCCCCCc1ccc(O)cc1","104-40-5","CCCCCCCCCc1ccc(O)cc1","CCCCCCCCCc1ccc(cc1)O",{"$nulls":4},220.182715388,"?"]
[953,"COc1ccc(C=CC)cc1","104-46-1","CC=Cc1ccc(OC)cc1","CC=Cc1ccc(cc1)OC",{"$nulls":4},148.088815004,"?"]
[954,"CCCCc1ccccc1","104-51-8","CCCCc1ccccc1","CCCCc1ccccc1",{"$nulls":4},134.109550448,"?"]
[955,"O=CC=Cc1ccccc1","104-55-2","O=CC=Cc1ccccc1","O=CC=Cc1ccccc1",{"$nulls":4},132.057514876,"?"]
[956,"CCCCCCCCCCc1ccccc1","104-72-3","CCCCCCCCCCc1ccccc1","CCCCCCCCCCc1ccccc1",{"$nulls":4},218.203450832,"?"]
[957,"CCCCC(CC)CN","104-75-6","CCCCC(CC)CN","CCCCC(CC)CN",{"$nulls":4},129.151749608,"?"]
[958,"CCCCC(CC)CO","104-76-7","CCCCC(CC)CO","CCCCC(CC)CO",{"$nulls":4},130.135765196,"?"]
[959,"OCC1CCC(CO)O1","104-80-3","OCC1CCC(CO)O1","OCC1OC(CC1)CO",{"$nulls":4},132.078644244,"?"]
[960,"Cc1ccc(C=O)cc1","104-87-0","Cc1ccc(C=O)cc1","Cc1ccc(cc1)C=O",{"$nulls":4},120.057514876,"?"]
[961,"CCc1ccc(C)nc1","104-90-5","CCc1ccc(C)nc1","CCc1cnc(cc1)C",{"$nulls":4},121.08914935199999,"?"]
[962,"COc1ccc(N)cc1","104-94-9","COc1ccc(N)cc1","COc1ccc(cc1)N",{"$nulls":4},123.068413908,"?"]
[963,"OC(=O)C=Cc1[nH]cnc1","104-98-3","O=C(O)C=Cc1cnc[nH]1","O=C(O)C=Cc1[nH]cnc1",{"$nulls":4},138.042927432,"?"]
[964,"CCc1ccc(CC)cc1","105-05-5","CCc1ccc(CC)cc1","CCc1ccc(cc1)CC",{"$nulls":4},134.109550448,"?"]
[965,"COc1ccc(CO)cc1","105-13-5","COc1ccc(CO)cc1","COc1ccc(cc1)CO",{"$nulls":4},138.06807956,"?"]
[966,"CCCC(C)CO","105-30-6","CCCC(C)CO","CCCC(C)CO",{"$nulls":4},102.104465068,"?"]
[967,"CCCC(O)C#C","105-31-7","C#CC(O)CCC","C#CC(O)CCC",{"$nulls":4},98.07316494,"?"]
[968,"CCOC(=O)CC","105-37-3","CCOC(=O)CC","CCOC(=O)CC",{"$nulls":4},102.06807956,"?"]
[969,"CCOC(=O)CCl","105-39-5","CCOC(=O)CCl","CCOC(=O)CCl",{"$nulls":4},122.013457144,"?"]
[970,"CCOC(=O)NC","105-40-8","CCOC(=O)NC","CCOC(=O)NC",{"$nulls":4},103.063328528,"?"]
[971,"COC(=O)CC(C)=O","105-45-3","COC(=O)CC(C)=O","COC(=O)CC(C)=O",{"$nulls":4},116.047344116,"?"]
[972,"CCC(C)OC(C)=O","105-46-4","CCC(C)OC(C)=O","CCC(C)OC(C)=O",{"$nulls":4},116.083729624,"?"]
[973,"CCOC(=O)CC(=O)OCC","105-53-3","CCOC(=O)CC(=O)OCC","CCOC(=O)CC(=O)OCC",{"$nulls":4},160.073558864,"?"]
[974,"CCCC(=O)OCC","105-54-4","CCCC(=O)OCC","CCCC(=O)OCC",{"$nulls":4},116.083729624,"?"]
[975,"CCNC(=S)NCC","105-55-5","CCNC(=S)NCC","CCNC(=S)NCC",{"$nulls":4},132.072119384,"?"]
[976,"CCOC(=O)CC#N","105-56-6","CCOC(=O)CC#N","CCOC(=O)CC#N",{"$nulls":4},113.047678464,"?"]
[977,"CCOC(C)OCC","105-57-7","CCOC(C)OCC","CCOC(C)OCC",{"$nulls":4},118.099379688,"?"]
[978,"CCOC(=O)OCC","105-58-8","CCOC(=O)OCC","CCOC(=O)OCC",{"$nulls":4},118.06299418,"?"]
[979,"CN(CCO)CCO","105-59-9","CN(CCO)CCO","CN(CCO)CCO",{"$nulls":4},119.094628656,"?"]
[980,"O=C1CCCCCN1","105-60-2","O=C1CCCCCN1","O=C1NCCCCC1",{"$nulls":4},113.084063972,"?"]
[981,"CCCOC(=O)CCC","105-66-8","CCCOC(=O)CCC","CCCOC(=O)CCC",{"$nulls":4},130.099379688,"?"]
[982,"Cc1ccc(O)c(C)c1","105-67-9","Cc1ccc(O)c(C)c1","Cc1cc(c(cc1)O)C",{"$nulls":4},122.07316494,"?"]
[983,"CCCC(=O)OCCOC(=O)CCC","105-72-6","CCCC(=O)OCCOC(=O)CCC","CCCC(=O)OCCOC(=O)CCC",{"$nulls":4},202.120509056,"?"]
[984,"CCCCOC(=O)C=CC(=O)OCCCC","105-76-0","CCCCOC(=O)C=CC(=O)OCCCC","CCCCOC(=O)C=CC(=O)OCCCC",{"$nulls":4},228.13615912,"?"]
[985,"COCCOC(=O)CCCCC(=O)OCCOC","106-00-3","COCCOC(=O)CCCCC(=O)OCCOC","COCCOC(=O)CCCCC(=O)OCCOC",{"$nulls":4},262.1416384240002,"?"]
[986,"CC(C)=CCCC(C)=CCO","106-24-1","CC(C)=CCCC(C)=CCO","CC(C)=CCCC(C)=CCO",{"$nulls":4},154.135765196,"?"]
[987,"CC(C)=CCCC(C)=CCO","106-25-2","CC(C)=CCCC(C)=CCO","CC(C)=CCCC(C)=CCO",{"$nulls":4},154.135765196,"?"]
[988,"CCCCCCC(=O)OCC","106-30-9","CCCCCCC(=O)OCC","CCCCCCC(=O)OCC",{"$nulls":4},158.130679816,"?"]
[989,"CCCCCCCC(=O)OCC","106-32-1","CCCCCCCC(=O)OCC","CCCCCCCC(=O)OCC",{"$nulls":4},172.14632988,"?"]
[990,"Oc1ccc(O)cc1.O=C2C=CC(=O)C=C2","106-34-3","Oc1ccc(O)cc1","Oc1ccc(cc1)O","O=C1C=CC(=O)C=C1",{"$nulls":3},218.0579088,"?"]
[991,"CCCCC(=O)CC","106-35-4","CCCCC(=O)CC","CCCCC(=O)CC",{"$nulls":4},114.104465068,"?"]
[992,"CCCOC(=O)CC","106-36-5","CCCOC(=O)CC","CCCOC(=O)CC",{"$nulls":4},116.083729624,"?"]
[993,"Brc1ccc(Br)cc1","106-37-6","Brc1ccc(Br)cc1","Brc1ccc(cc1)Br",{"$nulls":4},233.867974328,"?"]
[994,"Cc1ccc(Br)cc1","106-38-7","Cc1ccc(Br)cc1","Cc1ccc(cc1)Br",{"$nulls":4},169.973112324,"?"]
[995,"Clc1ccc(Br)cc1","106-39-8","Clc1ccc(Br)cc1","Clc1ccc(cc1)Br",{"$nulls":4},189.918489908,"?"]
[996,"Oc1ccc(Br)cc1","106-41-2","Oc1ccc(Br)cc1","Oc1ccc(cc1)Br",{"$nulls":4},171.95237688,"?"]
[997,"Cc1ccc(C)cc1","106-42-3","Cc1ccc(C)cc1","Cc1ccc(cc1)C",{"$nulls":4},106.07825032,"?"]
[998,"Cc1ccc(Cl)cc1","106-43-4","Cc1ccc(Cl)cc1","Cc1ccc(cc1)Cl",{"$nulls":4},126.023627904,"?"]
[999,"Cc1ccc(O)cc1","106-44-5","Cc1ccc(O)cc1","Cc1ccc(cc1)O",{"$nulls":4},108.057514876,"?"]
[1000,"Clc1ccc(Cl)cc1","106-46-7","Clc1ccc(Cl)cc1","Clc1ccc(cc1)Cl",{"$nulls":4},145.969005488,"?"]
[1001,"Nc1ccc(Cl)cc1","106-47-8","Nc1ccc(Cl)cc1","Nc1ccc(cc1)Cl",{"$nulls":4},127.01887687199999,"?"]
[1002,"Oc1ccc(Cl)cc1","106-48-9","Oc1ccc(Cl)cc1","Oc1ccc(cc1)Cl",{"$nulls":4},128.00289246,"?"]
[1003,"Cc1ccc(N)cc1","106-49-0","Cc1ccc(N)cc1","Cc1ccc(cc1)N",{"$nulls":4},107.073499288,"?"]
[1004,"Nc1ccc(N)cc1","106-50-3","Nc1ccc(N)cc1","Nc1ccc(cc1)N",{"$nulls":4},108.06874825599999,"?"]
[1005,"O=C1C=CC(=O)C=C1","106-51-4","O=C1C=CC(=O)C=C1","O=C1C=CC(C=C1)=O",{"$nulls":4},108.021129368,"?"]
[1006,"O=C1CNC(=O)CN1","106-57-0","O=C1CNC(=O)CN1","O=C1NCC(NC1)=O",{"$nulls":4},114.042927432,"?"]
[1007,"CC(O)COC(C)CO","106-62-7","CC(O)COC(C)CO","CC(O)COC(C)CO",{"$nulls":4},134.094294308,"?"]
[1008,"CC(C)COC(=O)C=C","106-63-8","C=CC(=O)OCC(C)C","C=CC(=O)OCC(C)C",{"$nulls":4},128.083729624,"?"]
[1009,"COC(=O)CCC(=O)OC","106-65-0","COC(=O)CCC(=O)OC","COC(=O)CCC(=O)OC",{"$nulls":4},146.0579088,"?"]
[1010,"CCCCCC(=O)CC","106-68-3","CCCCCC(=O)CC","CCCCCC(=O)CC",{"$nulls":4},128.120115132,"?"]
[1011,"CCCCCC(=O)OC","106-70-7","CCCCCC(=O)OC","CCCCCC(=O)OC",{"$nulls":4},130.099379688,"?"]
[1012,"COC(=O)CCCCCCCCC(=O)OC","106-79-6","COC(=O)CCCCCCCCC(=O)OC","COC(=O)CCCCCCCCC(=O)OC",{"$nulls":4},230.151809184,"?"]
[1013,"CCC1CO1","106-88-7","CCC1CO1","CCC1OC1",{"$nulls":4},72.057514876,"?"]
[1014,"ClCC1CO1","106-89-8","ClCC1CO1","ClCC1OC1",{"$nulls":4},92.00289246,"?"]
[1015,"BrCCBr","106-93-4","BrCCBr","BrCCBr",{"$nulls":4},185.867974328,"?"]
[1016,"CCCBr","106-94-5","CCCBr","CCCBr",{"$nulls":4},121.973112324,"?"]
[1017,"BrCC=C","106-95-6","C=CCBr","C=CCBr",{"$nulls":4},119.95746226,"?"]
[1018,"BrCC#C","106-96-7","C#CCBr","C#CCBr",{"$nulls":4},117.941812196,"?"]
[1019,"CCCC","106-97-8","CCCC","CCCC",{"$nulls":4},58.078250319999995,"?"]
[1020,"CCC=C","106-98-9","C=CCC","C=CCC",{"$nulls":4},56.062600255999996,"?"]
[1021,"C=CC=C","106-99-0","C=CC=C","C=CC=C",{"$nulls":4},54.046950192,"?"]
[1022,"CCC#C","107-00-6","C#CCC","C#CCC",{"$nulls":4},54.046950192,"?"]
[1023,"C=CC=O","107-02-8","C=CC=O","C=CC=O",{"$nulls":4},56.026214748,"?"]
[1024,"CCCS","107-03-9","CCCS","CCCS",{"$nulls":4},76.034671256,"?"]
[1025,"ClCCBr","107-04-0","ClCCBr","ClCCBr",{"$nulls":4},141.918489908,"?"]
[1026,"ClCC=C","107-05-1","C=CCCl","C=CCCl",{"$nulls":4},76.00797784,"?"]
[1027,"ClCCCl","107-06-2","ClCCCl","ClCCCl",{"$nulls":4},97.969005488,"?"]
[1028,"OCCCl","107-07-3","OCCCl","OCCCl",{"$nulls":4},80.00289246,"?"]
[1029,"CC(C)I","107-08-4","CC(C)I","CC(C)I",{"$nulls":4},169.959248224,"?"]
[1030,"CCCN","107-10-8","CCCN","CCCN",{"$nulls":4},59.073499287999994,"?"]
[1031,"NCC=C","107-11-9","C=CCN","C=CCN",{"$nulls":4},57.057849223999995,"?"]
[1032,"CCC#N","107-12-0","CCC#N","CCC#N",{"$nulls":4},55.042199159999996,"?"]
[1033,"C=CC#N","107-13-1","C=CC#N","C=CC#N",{"$nulls":4},53.026549096,"?"]
[1034,"ClCC#N","107-14-2","N#CCCl","N#CCCl",{"$nulls":4},74.987576744,"?"]
[1035,"NCCN","107-15-3","NCCN","NCCN",{"$nulls":4},60.06874825599999,"?"]
[1036,"OCC=C","107-18-6","C=CCO","C=CCO",{"$nulls":4},58.041864812,"?"]
[1037,"OCC#C","107-19-7","C#CCO","C#CCO",{"$nulls":4},56.026214748,"?"]
[1038,"OCCO","107-21-1","OCCO","OCCO",{"$nulls":4},62.036779432,"?"]
[1039,"O=CC=O","107-22-2","O=CC=O","O=CC=O",{"$nulls":4},58.005479304000005,"?"]
[1040,"COC=C","107-25-5","C=COC","C=COC",{"$nulls":4},58.041864812,"?"]
[1041,"COC=O","107-31-3","COC=O","COC=O",{"$nulls":4},60.021129368000004,"?"]
[1042,"NCC[S](O)(=O)=O","107-35-7","NCCS(=O)(=O)O","NCCS(=O)(=O)O",{"$nulls":4},125.014664084,"?"]
[1043,"OCC[S](O)(=O)=O","107-36-8","O=S(=O)(O)CCO","O=S(=O)(O)CCO",{"$nulls":4},125.99867967200001,"?"]
[1044,"CC(O)CC(C)(C)O","107-41-5","CC(O)CC(C)(C)O","CC(O)CC(C)(C)O",{"$nulls":4},118.099379688,"?"]
[1045,"C[N+](C)(C)CC([O-])=O","107-43-7","C[N+](C)(C)CC(=O)[O-]","C[N+](C)(C)CC(=O)O",{"$nulls":4},117.078978592,"Structure has been neutralized"]
[1046,"CC(C)O[P](C)(F)=O","107-44-8","CC(C)OP(C)(=O)F","CC(C)OP(C)(=O)F",{"$nulls":4},140.04024440999999,"?"]
[1047,"C[Si](C)(C)O[Si](C)(C)C","107-46-0","C[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)C",{"$nulls":4},162.089618256,"?"]
[1048,"CCO[P](=O)(OCC)O[P](=O)(OCC)OCC","107-49-3","CCOP(=O)(OCC)OP(=O)(OCC)OCC","CCOP(=O)(OCC)OP(=O)(OCC)OCC",{"$nulls":4},290.0684262400006,"?"]
[1049,"C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","107-51-7","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C",{"$nulls":4},236.10840959799998,"?"]
[1050,null,"107-66-4",{"$nulls":7},""]
[1051,"NC(=O)OCC(Cl)(Cl)Cl","107-69-7","NC(=O)OCC(Cl)(Cl)Cl","NC(=O)OCC(Cl)(Cl)Cl",{"$nulls":4},190.930761408,"?"]
[1052,"COC(C)(C)CC(C)=O","107-70-0","COC(C)(C)CC(C)=O","COC(C)(C)CC(C)=O",{"$nulls":4},130.099379688,"?"]
[1053,"CC(C)CCBr","107-82-4","CC(C)CCBr","CC(C)CCBr",{"$nulls":4},150.004412452,"?"]
[1054,"CCCC(C)C","107-83-5","CCCC(C)C","CCCC(C)C",{"$nulls":4},86.109550448,"?"]
[1055,"CCCC(C)=O","107-87-9","CCCC(C)=O","CCCC(C)=O",{"$nulls":4},86.07316494,"?"]
[1056,"CC(O)CCO","107-88-0","CC(O)CCO","CC(O)CCO",{"$nulls":4},90.06807956,"?"]
[1057,"CC(O)CC=O","107-89-1","CC(O)CC=O","CC(O)CC=O",{"$nulls":4},88.052429496,"?"]
[1058,"NC(=O)CC#N","107-91-5","N#CCC(N)=O","N#CCC(N)=O",{"$nulls":4},84.032362748,"?"]
[1059,"CCCC(O)=O","107-92-6","CCCC(=O)O","CCCC(=O)O",{"$nulls":4},88.052429496,"?"]
[1060,"CC=CC(O)=O","107-93-7","CC=CC(=O)O","CC=CC(=O)O",{"$nulls":4},86.036779432,"?"]
[1061,"NCCC(O)=O","107-95-9","NCCC(=O)O","NCCC(=O)O",{"$nulls":4},89.047678464,"?"]
[1062,"CNCC(O)=O","107-97-1","CNCC(=O)O","CNCC(=O)O",{"$nulls":4},89.047678464,"?"]
[1063,"COCC(C)O","107-98-2","COCC(C)O","COCC(C)O",{"$nulls":4},90.06807956,"?"]
[1064,"CN(C)CCO","108-01-0","CN(C)CCO","CN(C)CCO",{"$nulls":4},89.084063972,"?"]
[1065,"CCC[N+]([O-])=O","108-03-2","CCC[N+](=O)[O-]","CCC[N+](=O)[O-]",{"$nulls":4},89.047678464,"?"]
[1066,"CC(=O)OC=C","108-05-4","C=COC(C)=O","C=COC(C)=O",{"$nulls":4},86.036779432,"?"]
[1067,"CC(C)CC(C)C","108-08-7","CC(C)CC(C)C","CC(C)CC(C)C",{"$nulls":4},100.12520051199999,"?"]
[1068,"CC(C)CC(C)=O","108-10-1","CC(=O)CC(C)C","CC(=O)CC(C)C",{"$nulls":4},100.088815004,"?"]
[1069,"CC(C)CC(C)O","108-11-2","CC(C)CC(C)O","CC(C)CC(C)O",{"$nulls":4},102.104465068,"?"]
[1070,"NC(=O)CC(N)=O","108-13-4","NC(=O)CC(N)=O","NC(=O)CC(N)=O",{"$nulls":4},102.042927432,"?"]
[1071,"CC(C)NC(C)C","108-18-9","CC(C)NC(C)C","CC(C)NC(C)C",{"$nulls":4},101.12044947999999,"?"]
[1072,"NC(=O)NC(N)=O","108-19-0","NC(=O)NC(N)=O","NC(=O)NC(N)=O",{"$nulls":4},103.0381764,"?"]
[1073,"CC(C)OC(C)C","108-20-3","CC(C)OC(C)C","CC(C)OC(C)C",{"$nulls":4},102.104465068,"?"]
[1074,"CC(C)OC(C)=O","108-21-4","CC(=O)OC(C)C","CC(=O)OC(C)C",{"$nulls":4},102.06807956,"?"]
[1075,"CC(=O)OC(C)=O","108-24-7","CC(=O)OC(C)=O","CC(=O)OC(C)=O",{"$nulls":4},102.031694052,"?"]
[1076,"C=C1OC(=O)C=C1","108-28-1","C=C1C=CC(=O)O1","C=C1OC(C=C1)=O",{"$nulls":4},96.021129368,"?"]
[1077,"CC1COC(=O)O1","108-32-7","CC1COC(=O)O1","CC1OC(OC1)=O",{"$nulls":4},102.031694052,"?"]
[1078,"CCO[P](=O)(OCC)Oc1cc(C)[nH]n1","108-34-9","CCOP(=O)(OCC)Oc1cc(C)[nH]n1","CCOP(=O)(OCC)Oc1n[nH]c(c1)C",{"$nulls":4},234.07694358999998,"?"]
[1079,"Brc1cccc(Br)c1","108-36-1","Brc1cccc(Br)c1","Brc1cc(ccc1)Br",{"$nulls":4},233.867974328,"?"]
[1080,"Clc1cccc(Br)c1","108-37-2","Clc1cccc(Br)c1","Clc1cc(ccc1)Br",{"$nulls":4},189.918489908,"?"]
[1081,"Cc1cccc(C)c1","108-38-3","Cc1cccc(C)c1","Cc1cc(ccc1)C",{"$nulls":4},106.07825032,"?"]
[1082,"Cc1cccc(O)c1","108-39-4","Cc1cccc(O)c1","Cc1cc(ccc1)O",{"$nulls":4},108.057514876,"?"]
[1083,"Cc1cccc(Cl)c1","108-41-8","Cc1cccc(Cl)c1","Cc1cc(ccc1)Cl",{"$nulls":4},126.023627904,"?"]
[1084,"Nc1cccc(Cl)c1","108-42-9","Nc1cccc(Cl)c1","Nc1cc(ccc1)Cl",{"$nulls":4},127.01887687199999,"?"]
[1085,"Oc1cccc(Cl)c1","108-43-0","Oc1cccc(Cl)c1","Oc1cc(ccc1)Cl",{"$nulls":4},128.00289246,"?"]
[1086,"Cc1cccc(N)c1","108-44-1","Cc1cccc(N)c1","Cc1cc(ccc1)N",{"$nulls":4},107.073499288,"?"]
[1087,"Nc1cccc(N)c1","108-45-2","Nc1cccc(N)c1","Nc1cc(ccc1)N",{"$nulls":4},108.06874825599999,"?"]
[1088,"Oc1cccc(O)c1","108-46-3","Oc1cccc(O)c1","Oc1cc(ccc1)O",{"$nulls":4},110.036779432,"?"]
[1089,"Cc1ccnc(C)c1","108-47-4","Cc1ccnc(C)c1","Cc1cc(ncc1)C",{"$nulls":4},107.073499288,"?"]
[1090,"Cc1cccc(C)n1","108-48-5","Cc1cccc(C)n1","Cc1nc(ccc1)C",{"$nulls":4},107.073499288,"?"]
[1091,"CC(CCl)OC(C)CCl","108-60-1","[2H]CIP","[2H]CIP","CC(CCl)OC(C)CCl",{"$nulls":3},344.943880154,"Errors in neutralization"]
[1092,"CC1OC(C)OC(C)OC(C)O1","108-62-3","CC1OC(C)OC(C)OC(C)O1","CC1OC(OC(OC(O1)C)C)C",{"$nulls":4},176.104858992,"?"]
[1093,"CCOC(=O)CC(C)C","108-64-5","CCOC(=O)CC(C)C","CCOC(=O)CC(C)C",{"$nulls":4},130.099379688,"?"]
[1094,"COCC(C)OC(C)=O","108-65-6","COCC(C)OC(C)=O","COCC(C)OC(C)=O",{"$nulls":4},132.078644244,"?"]
[1095,"Cc1cc(C)cc(C)c1","108-67-8","Cc1cc(C)cc(C)c1","Cc1cc(cc(c1)C)C",{"$nulls":4},120.093900384,"?"]
[1096,"Cc1cc(C)cc(O)c1","108-68-9","Cc1cc(C)cc(O)c1","Cc1cc(cc(c1)C)O",{"$nulls":4},122.07316494,"?"]
[1097,"Clc1cc(Cl)cc(Cl)c1","108-70-3","Clc1cc(Cl)cc(Cl)c1","Clc1cc(cc(c1)Cl)Cl",{"$nulls":4},179.930033136,"?"]
[1098,"Oc1cc(O)cc(O)c1","108-73-6","Oc1cc(O)cc(O)c1","Oc1cc(cc(c1)O)O",{"$nulls":4},126.031694052,"?"]
[1099,"Cc1cc(C)nc(C)c1","108-75-8","Cc1cc(C)nc(C)c1","Cc1cc(nc(c1)C)C",{"$nulls":4},121.08914935199999,"?"]
[1100,"Nc1nc(N)nc(N)n1","108-78-1","Nc1nc(N)nc(N)n1","Nc1nc(nc(n1)N)N",{"$nulls":4},126.06539419199999,"?"]
[1101,"O=C1NC(=O)NC(=O)N1","108-80-5","O=c1[nH]c(=O)[nH]c(=O)[nH]1","O=c1[nH]c([nH]c([nH]1)=O)=O",{"$nulls":4},129.017440956,"?"]
[1102,"CC(C)CC(O)CC(C)C","108-82-7","CC(C)CC(O)CC(C)C","CC(C)CC(O)CC(C)C",{"$nulls":4},144.15141526,"?"]
[1103,"CC(C)CC(=O)CC(C)C","108-83-8","CC(C)CC(=O)CC(C)C","CC(C)CC(=O)CC(C)C",{"$nulls":4},142.135765196,"?"]
[1104,"CC(C)CC(C)OC(C)=O","108-84-9","CC(=O)OC(C)CC(C)C","CC(=O)OC(C)CC(C)C",{"$nulls":4},144.115029752,"?"]
[1105,"BrC1CCCCC1","108-85-0","BrC1CCCCC1","BrC1CCCCC1",{"$nulls":4},162.004412452,"?"]
[1106,"Brc1ccccc1","108-86-1","Brc1ccccc1","Brc1ccccc1",{"$nulls":4},155.95746226,"?"]
[1107,"CC1CCCCC1","108-87-2","CC1CCCCC1","CC1CCCCC1",{"$nulls":4},98.109550448,"?"]
[1108,"Cc1ccccc1","108-88-3","Cc1ccccc1","Cc1ccccc1",{"$nulls":4},92.062600256,"?"]
[1109,"Cc1ccncc1","108-89-4","Cc1ccncc1","Cc1ccncc1",{"$nulls":4},93.057849224,"?"]
[1110,"Clc1ccccc1","108-90-7","Clc1ccccc1","Clc1ccccc1",{"$nulls":4},112.00797784,"?"]
[1111,"NC1CCCCC1","108-91-8","NC1CCCCC1","NC1CCCCC1",{"$nulls":4},99.10479941599999,"?"]
[1112,"OC1CCCCC1","108-93-0","OC1CCCCC1","OC1CCCCC1",{"$nulls":4},100.088815004,"?"]
[1113,"O=C1CCCCC1","108-94-1","O=C1CCCCC1","O=C1CCCCC1",{"$nulls":4},98.07316494,"?"]
[1114,"Oc1ccccc1","108-95-2","Oc1ccccc1","Oc1ccccc1",{"$nulls":4},94.041864812,"?"]
[1115,"Sc1ccccc1","108-98-5","Sc1ccccc1","Sc1ccccc1",{"$nulls":4},110.019021192,"?"]
[1116,"Cc1cccnc1","108-99-6","Cc1cccnc1","Cc1cnccc1",{"$nulls":4},93.057849224,"?"]
[1117,"Oc1cccnc1","109-00-2","Oc1cccnc1","Oc1cnccc1",{"$nulls":4},95.03711378,"?"]
[1118,"CN1CCOCC1","109-02-4","CN1CCOCC1","CN1CCOCC1",{"$nulls":4},101.084063972,"?"]
[1119,"Brc1ccccn1","109-04-6","Brc1ccccn1","Brc1ncccc1",{"$nulls":4},156.952711228,"?"]
[1120,"Cc1ccccn1","109-06-8","Cc1ccccn1","Cc1ncccc1",{"$nulls":4},93.057849224,"?"]
[1121,"CC1CNCCN1","109-07-9","CC1CNCCN1","CC1NCCNC1",{"$nulls":4},100.10004838399999,"?"]
[1122,"Cc1cnccn1","109-08-0","Cc1cnccn1","Cc1nccnc1",{"$nulls":4},94.053098192,"?"]
[1123,"Clc1ccccn1","109-09-1","Clc1ccccn1","Clc1ncccc1",{"$nulls":4},113.003226808,"?"]
[1124,"CC(=C)C(=O)OCCOCCOCCOC(=O)C(C)=C","109-16-0","C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C","C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C",{"$nulls":4},286.14163842400063,"?"]
[1125,"CCCCOC(=O)CCC","109-21-7","CCCCOC(=O)CCC","CCCCOC(=O)CCC",{"$nulls":4},144.115029752,"?"]
[1126,"CCCCOC(=O)CCCCCCCCC(=O)OCCCC","109-43-3","CCCCOC(=O)CCCCCCCCC(=O)OCCCC","CCCCOC(=O)CCCCCCCCC(=O)OCCCC",{"$nulls":4},314.24570956800096,"?"]
[1127,"CCOCCOC(=O)CCCCC(=O)OCCOCC","109-44-4","CCOCCOC(=O)CCCCC(=O)OCCOCC","CCOCCOC(=O)CCCCC(=O)OCCOCC",{"$nulls":4},290.17293855200074,"?"]
[1128,"CCC#CC(C)O","109-50-2","CCC#CC(C)O","CCC#CC(C)O",{"$nulls":4},98.07316494,"?"]
[1129,"CCCCC(O)=O","109-52-4","CCCCC(=O)O","CCCCC(=O)O",{"$nulls":4},102.06807956,"?"]
[1130,"CC(C)COC=C","109-53-5","C=COCC(C)C","C=COCC(C)C",{"$nulls":4},100.088815004,"?"]
[1131,"[H+].[Cl-].CN(C)CCCCl","109-54-6","CN(C)CCCCl","CN(C)CCCCl","[Cl-]","[H+]",null,null,157.042504776,"?"]
[1132,"CN(C)CCCN","109-55-7","CN(C)CCCN","CN(C)CCCN",{"$nulls":4},102.11569844799999,"?"]
[1133,"NC(=S)NCC=C","109-57-9","C=CCNC(N)=S","C=CCNC(N)=S",{"$nulls":4},116.04081925599999,"?"]
[1134,"CC(C)OCCO","109-59-1","CC(C)OCCO","CC(C)OCCO",{"$nulls":4},104.083729624,"?"]
[1135,"CCCOC(C)=O","109-60-4","CCCOC(C)=O","CCCOC(C)=O",{"$nulls":4},102.06807956,"?"]
[1136,"BrCCCBr","109-64-8","BrCCCBr","BrCCCBr",{"$nulls":4},199.883624392,"?"]
[1137,"CCCCBr","109-65-9","CCCCBr","CCCCBr",{"$nulls":4},135.988762388,"?"]
[1138,"CCCCC","109-66-0","CCCCC","CCCCC",{"$nulls":4},72.093900384,"?"]
[1139,"CCCC=C","109-67-1","C=CCCC","C=CCCC",{"$nulls":4},70.07825032,"?"]
[1140,"CCC=CC","109-68-2","CC=CCC","CC=CCC",{"$nulls":4},70.07825032,"?"]
[1141,"CCCCCl","109-69-3","CCCCCl","CCCCCl",{"$nulls":4},92.039277968,"?"]
[1142,"ClCCCBr","109-70-6","ClCCCBr","ClCCCBr",{"$nulls":4},155.934139972,"?"]
[1143,"CCCCN","109-73-9","CCCCN","CCCCN",{"$nulls":4},73.08914935199999,"?"]
[1144,"CCCC#N","109-74-0","CCCC#N","CCCC#N",{"$nulls":4},69.057849224,"?"]
[1145,"N#CCC#N","109-77-3","N#CCC#N","N#CCC#N",{"$nulls":4},66.021798064,"?"]
[1146,"OCCC#N","109-78-4","N#CCCO","N#CCCO",{"$nulls":4},71.03711378,"?"]
[1147,"CCCCS","109-79-5","CCCCS","CCCCS",{"$nulls":4},90.05032132,"?"]
[1148,"CNCCO","109-83-1","CNCCO","CNCCO",{"$nulls":4},75.068413908,"?"]
[1149,"NNCCO","109-84-2","NNCCO","NNCCO",{"$nulls":4},76.063662876,"?"]
[1150,"COCCO","109-86-4","COCCO","COCCO",{"$nulls":4},76.052429496,"?"]
[1151,"COCOC","109-87-5","COCOC","COCOC",{"$nulls":4},76.052429496,"?"]
[1152,"CCNCC","109-89-7","CCNCC","CCNCC",{"$nulls":4},73.08914935199999,"?"]
[1153,"CCOC=C","109-92-2","C=COCC","C=COCC",{"$nulls":4},72.057514876,"?"]
[1154,"C=COC=C","109-93-3","C=COC=C","C=COC=C",{"$nulls":4},70.041864812,"?"]
[1155,"CCOC=O","109-94-4","CCOC=O","CCOC=O",{"$nulls":4},74.036779432,"?"]
[1156,"[nH]1cccc1","109-97-7","c1cc[nH]c1","c1c[nH]cc1",{"$nulls":4},67.04219916,"?"]
[1157,"C1CCOC1","109-99-9","C1CCOC1","C1COCC1",{"$nulls":4},72.057514876,"?"]
[1158,"o1cccc1","110-00-9","c1ccoc1","c1cocc1",{"$nulls":4},68.026214748,"?"]
[1159,"s1cccc1","110-02-1","c1ccsc1","c1cscc1",{"$nulls":4},84.003371128,"?"]
[1160,"CC(C)(C)OOC(C)(C)C","110-05-4","CC(C)(C)OOC(C)(C)C","CC(C)(C)OOC(C)(C)C",{"$nulls":4},146.130679816,"?"]
[1161,"CC(C)CCC(C)=O","110-12-3","CC(=O)CCC(C)C","CC(=O)CCC(C)C",{"$nulls":4},114.104465068,"?"]
[1162,"NC(=O)CCC(N)=O","110-14-5","NC(=O)CCC(N)=O","NC(=O)CCC(N)=O",{"$nulls":4},116.058577496,"?"]
[1163,"OC(=O)CCC(O)=O","110-15-6","O=C(O)CCC(=O)O","O=C(O)CCC(=O)O",{"$nulls":4},118.02660867200001,"?"]
[1164,"OC(=O)C=CC(O)=O","110-16-7","O=C(O)C=CC(=O)O","O=C(O)C=CC(=O)O",{"$nulls":4},116.01095860800001,"?"]
[1165,"OC(=O)C=CC(O)=O","110-17-8","O=C(O)C=CC(=O)O","O=C(O)C=CC(=O)O",{"$nulls":4},116.01095860800001,"?"]
[1166,"CC(C)COC(C)=O","110-19-0","CC(=O)OCC(C)C","CC(=O)OCC(C)C",{"$nulls":4},116.083729624,"?"]
[1167,"CC(C)=NNC(N)=O","110-20-3","CC(C)=NNC(N)=O","CC(C)=NNC(N)=O",{"$nulls":4},115.07456190799999,"?"]
[1168,"CCCCCCCCCC(=O)OCC","110-38-3","CCCCCCCCCC(=O)OCC","CCCCCCCCCC(=O)OCC",{"$nulls":4},200.177630008,"?"]
[1169,"CCOC(=O)CCCCCCCCC(=O)OCC","110-40-7","CCOC(=O)CCCCCCCCC(=O)OCC","CCOC(=O)CCCCCCCCC(=O)OCC",{"$nulls":4},258.18310931200006,"?"]
[1170,"CCCCCCCCCC(=O)OC","110-42-9","CCCCCCCCCC(=O)OC","CCCCCCCCCC(=O)OC",{"$nulls":4},186.161979944,"?"]
[1171,"CCCCCC(C)=O","110-43-0","CCCCCC(C)=O","CCCCCC(C)=O",{"$nulls":4},114.104465068,"?"]
[1172,"CC=CC=CC(O)=O","110-44-1","CC=CC=CC(=O)O","CC=CC=CC(=O)O",{"$nulls":4},112.052429496,"?"]
[1173,"CC(C)CCOC=O","110-45-2","CC(C)CCOC=O","CC(C)CCOC=O",{"$nulls":4},116.083729624,"?"]
[1174,"COCCOC(C)=O","110-49-6","COCCOC(C)=O","COCCOC(C)=O",{"$nulls":4},118.06299418,"?"]
[1175,"BrCCCCBr","110-52-1","BrCCCCBr","BrCCCCBr",{"$nulls":4},213.899274456,"?"]
[1176,"CCCCCBr","110-53-2","CCCCCBr","CCCCCBr",{"$nulls":4},150.004412452,"?"]
[1177,"CCCCCC","110-54-3","CCCCCC","CCCCCC",{"$nulls":4},86.109550448,"?"]
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[1179,"ClCC=CCCl","110-57-6","ClCC=CCCl","ClCC=CCCl",{"$nulls":4},123.98465555199999,"?"]
[1180,"CCCCCN","110-58-7","CCCCCN","CCCCCN",{"$nulls":4},87.10479941599999,"?"]
[1181,"N#CCCC#N","110-61-2","N#CCCC#N","N#CCCC#N",{"$nulls":4},80.037448128,"?"]
[1182,"CCCCC=O","110-62-3","CCCCC=O","CCCCC=O",{"$nulls":4},86.07316494,"?"]
[1183,"OCCCCO","110-63-4","OCCCCO","OCCCCO",{"$nulls":4},90.06807956,"?"]
[1184,"OCC#CCO","110-65-6","OCC#CCO","OCC#CCO",{"$nulls":4},86.036779432,"?"]
[1185,"CCCCCS","110-66-7","CCCCCS","CCCCCS",{"$nulls":4},104.065971384,"?"]
[1186,"CCCC[NH2+]C","110-68-9","CCCC[NH2+]C","CCCCNC",{"$nulls":4},88.11262444799999,"Structure has been neutralized"]
[1187,"COCCOC","110-71-4","COCCOC","COCCOC",{"$nulls":4},90.06807956,"?"]
[1188,"CCCOC=O","110-74-7","CCCOC=O","CCCOC=O",{"$nulls":4},88.052429496,"?"]
[1189,"ClCCOC=C","110-75-8","C=COCCCl","C=COCCCl",{"$nulls":4},106.018542524,"?"]
[1190,"CCOCCO","110-80-5","CCOCCO","CCOCCO",{"$nulls":4},90.06807956,"?"]
[1191,"CCSSCC","110-81-6","CCSSCC","CCSSCC",{"$nulls":4},122.02239232,"?"]
[1192,"C1CCCCC1","110-82-7","C1CCCCC1","C1CCCCC1",{"$nulls":4},84.093900384,"?"]
[1193,"C1CCC=CC1","110-83-8","C1=CCCCC1","C=1CCCCC1",{"$nulls":4},82.07825032,"?"]
[1194,"C1CNCCN1","110-85-0","C1CNCCN1","C1NCCNC1",{"$nulls":4},86.08439831999999,"?"]
[1195,"c1ccncc1","110-86-1","c1ccncc1","c1ccncc1",{"$nulls":4},79.04219916,"?"]
[1196,"C1OCOCO1","110-88-3","C1OCOCO1","C1OCOCO1",{"$nulls":4},90.031694052,"?"]
[1197,"C1CCNCC1","110-89-4","C1CCNCC1","C1CCNCC1",{"$nulls":4},85.08914935199999,"?"]
[1198,"C1COCCN1","110-91-8","C1COCCN1","C1NCCOC1",{"$nulls":4},87.068413908,"?"]
[1199,"OC(=O)CCCC(O)=O","110-94-1","O=C(O)CCCC(=O)O","O=C(O)CCCC(=O)O",{"$nulls":4},132.042258736,"?"]
[1200,"CC[CH](C)[NH2+][CH](C)CC","110-96-3","CCC(C)[NH2+]C(C)CC","CCC(C)NC(C)CC",{"$nulls":4},130.15957464,"Structure has been neutralized"]
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[1202,"OC(=O)COCC(O)=O","110-99-6","O=C(O)COCC(=O)O","O=C(O)COCC(=O)O",{"$nulls":4},134.021523292,"?"]
[1203,"CCCCCCCC(=O)OC","111-11-5","CCCCCCCC(=O)OC","CCCCCCCC(=O)OC",{"$nulls":4},158.130679816,"?"]
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[1208,"OC(=O)CCSCCC(O)=O","111-17-1","O=C(O)CCSCCC(=O)O","O=C(O)CCSCCC(=O)O",{"$nulls":4},178.0299798,"?"]
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[1210,"[O-][N+](=O)OCCOCCOCCO[N+]([O-])=O","111-22-8","O=[N+]([O-])OCCOCCOCCO[N+](=O)[O-]","O=[N+]([O-])OCCOCCOCCO[N+](=O)[O-]",{"$nulls":4},240.059365344,"?"]
[1211,"CCCCCCBr","111-25-1","CCCCCCBr","CCCCCCBr",{"$nulls":4},164.020062516,"?"]
[1212,"CCCCCCN","111-26-2","CCCCCCN","CCCCCCN",{"$nulls":4},101.12044947999999,"?"]
[1213,"CCCCCCO","111-27-3","CCCCCCO","CCCCCCO",{"$nulls":4},102.104465068,"?"]
[1214,"CCCCOC=C","111-34-2","C=COCCCC","C=COCCCC",{"$nulls":4},100.088815004,"?"]
[1215,"NCCNCCN","111-40-0","NCCNCCN","NCCNCCN",{"$nulls":4},103.11094741599999,"?"]
[1216,"NCCNCCO","111-41-1","NCCNCCO","NCCNCCO",{"$nulls":4},104.094963004,"?"]
[1217,"OCCNCCO","111-42-2","OCCNCCO","OCCNCCO",{"$nulls":4},105.078978592,"?"]
[1218,"CCCOCCC","111-43-3","CCCOCCC","CCCOCCC",{"$nulls":4},102.104465068,"?"]
[1219,"ClCCOCCCl","111-44-4","ClCCOCCCl","ClCCOCCCl",{"$nulls":4},141.995220236,"?"]
[1220,"OCCOCCO","111-46-6","OCCOCCO","OCCOCCO",{"$nulls":4},106.06299418,"?"]
[1221,"OCCSCCO","111-48-8","OCCSCCO","OCCSCCO",{"$nulls":4},122.04015056,"?"]
[1222,"C1CCCNCC1","111-49-9","C1CCCNCC1","C1CCNCCC1",{"$nulls":4},99.10479941599999,"?"]
[1223,"CC(=O)OCCOC(C)=O","111-55-7","CC(=O)OCCOC(C)=O","CC(=O)OCCOC(C)=O",{"$nulls":4},146.0579088,"?"]
[1224,"CCCCCCCC","111-65-9","CCCCCCCC","CCCCCCCC",{"$nulls":4},114.14085057599999,"?"]
[1225,"CCCCCCC=C","111-66-0","C=CCCCCCC","C=CCCCCCC",{"$nulls":4},112.12520051199999,"?"]
[1226,"N#CCCCCC#N","111-69-3","N#CCCCCC#N","N#CCCCCC#N",{"$nulls":4},108.06874825599999,"?"]
[1227,"CCCCCCCO","111-70-6","CCCCCCCO","CCCCCCCO",{"$nulls":4},116.120115132,"?"]
[1228,"CCCCCCC=O","111-71-7","CCCCCCC=O","CCCCCCC=O",{"$nulls":4},114.104465068,"?"]
[1229,"CCCCNCCO","111-75-1","CCCCNCCO","CCCCNCCO",{"$nulls":4},117.1153641,"?"]
[1230,"CCCCOCCO","111-76-2","CCCCOCCO","CCCCOCCO",{"$nulls":4},118.099379688,"?"]
[1231,"COCCOCCO","111-77-3","COCCOCCO","COCCOCCO",{"$nulls":4},120.078644244,"?"]
[1232,"CCCCCCCCBr","111-83-1","CCCCCCCCBr","CCCCCCCCBr",{"$nulls":4},192.051362644,"?"]
[1233,"CCCCCCCCC","111-84-2","CCCCCCCCC","CCCCCCCCC",{"$nulls":4},128.15650064,"?"]
[1234,"CCCCCCCCCl","111-85-3","CCCCCCCCCl","CCCCCCCCCl",{"$nulls":4},148.101878224,"?"]
[1235,"CCCCCCCCN","111-86-4","CCCCCCCCN","CCCCCCCCN",{"$nulls":4},129.151749608,"?"]
[1236,"CCCCCCCCO","111-87-5","CCCCCCCCO","CCCCCCCCO",{"$nulls":4},130.135765196,"?"]
[1237,"CCOCCOCCO","111-90-0","CCOCCOCCO","CCOCCOCCO",{"$nulls":4},134.094294308,"?"]
[1238,"ClCCOCOCCCl","111-91-1","ClCCOCOCCCl","ClCCOCOCCCl",{"$nulls":4},172.00578492,"?"]
[1239,"CCCCNCCCC","111-92-2","CCCCNCCCC","CCCCNCCCC",{"$nulls":4},129.151749608,"?"]
[1240,"COCCOCCOC","111-96-6","COCCOCCOC","COCCOCCOC",{"$nulls":4},134.094294308,"?"]
[1241,"CCCCCCCCC(O)=O","112-05-0","CCCCCCCCC(=O)O","CCCCCCCCC(=O)O",{"$nulls":4},158.130679816,"?"]
[1242,"CCCCOCCOC(C)=O","112-07-2","CCCCOCCOC(C)=O","CCCCOCCOC(C)=O",{"$nulls":4},160.109944372,"?"]
[1243,"CCOCCOCCOC(C)=O","112-15-2","CCOCCOCCOC(C)=O","CCOCCOCCOC(C)=O",{"$nulls":4},176.104858992,"?"]
[1244,"NCCNCCNCCN","112-24-3","NCCNCCNCCN","NCCNCCNCCN",{"$nulls":4},146.15314657599998,"?"]
[1245,"CCCCCCOCCO","112-25-4","CCCCCCOCCO","CCCCCCOCCO",{"$nulls":4},146.130679816,"?"]
[1246,"ClCCOCCOCCCl","112-26-5","ClCCOCCOCCCl","ClCCOCCOCCCl",{"$nulls":4},186.021434984,"?"]
[1247,"OCCOCCOCCO","112-27-6","OCCOCCOCCO","OCCOCCOCCO",{"$nulls":4},150.089208928,"?"]
[1248,"CCCCCCCCCCO","112-30-1","CCCCCCCCCCO","CCCCCCCCCCO",{"$nulls":4},158.167065324,"?"]
[1249,"CCCCOCCOCCO","112-34-5","CCCCOCCOCCO","CCCCOCCOCCO",{"$nulls":4},162.125594436,"?"]
[1250,"COCCOCCOCCO","112-35-6","COCCOCCOCCO","COCCOCCOCCO",{"$nulls":4},164.104858992,"?"]
[1251,"CCOCCOCCOCC","112-36-7","BIS","BIS","CCOCCOCCOCC",{"$nulls":3},335.034918932,"Errors in neutralization"]
[1252,"CCCCCCCCCCC(O)=O","112-37-8","CCCCCCCCCCC(=O)O","CCCCCCCCCCC(=O)O",{"$nulls":4},186.161979944,"?"]
[1253,"OC(=O)CCCCCCCCC=C","112-38-9","C=CCCCCCCCCC(=O)O","C=CCCCCCCCCC(=O)O",{"$nulls":4},184.14632988,"?"]
[1254,"CCCCCCCCCCCC","112-40-3","CCCCCCCCCCCC","CCCCCCCCCCCC",{"$nulls":4},170.203450832,"?"]
[1255,"OCCCCCCCCCCO","112-47-0","OCCCCCCCCCCO","OCCCCCCCCCCO",{"$nulls":4},174.161979944,"?"]
[1256,"CCCCOCCOCCCC","112-48-1","CCCCOCCOCCCC","CCCCOCCOCCCC",{"$nulls":4},174.161979944,"?"]
[1257,"CCOCCOCCOCCO","112-50-5","CCOCCOCCOCCO","CCOCCOCCOCCO",{"$nulls":4},178.120509056,"?"]
[1258,"CCCCCCCCCCCCO","112-53-8","CCCCCCCCCCCCO","CCCCCCCCCCCCO",{"$nulls":4},186.198365452,"?"]
[1259,"NCCNCCNCCNCCN","112-57-2","NCCNCCNCCNCCN","NCCNCCNCCNCCN",{"$nulls":4},189.19534573599998,"?"]
[1260,"CCCCCCOCCOCCO","112-59-4","CCCCCCOCCOCCO","CCCCCCOCCOCCO",{"$nulls":4},190.156894564,"?"]
[1261,"OCCOCCOCCOCCO","112-60-7","OCCOCCOCCOCCO","OCCOCCOCCOCCO",{"$nulls":4},194.115423676,"?"]
[1262,"CCCCCCCCCCCCN=C(N)N.CC(O)=O","112-65-2","CCCCCCCCCCCCN=C(N)N","CCCCCCCCCCCCN=C(N)N","CC(O)=O",{"$nulls":3},287.257277296,"?"]
[1263,"CCCCCCCCCCCCCCO","112-72-1","CCCCCCCCCCCCCCO","CCCCCCCCCCCCCCO",{"$nulls":4},214.22966558,"?"]
[1264,"CCCCOCCOCCOCCCC","112-73-2","CCCCOCCOCCOCCCC","CCCCOCCOCCOCCCC",{"$nulls":4},218.188194692,"?"]
[1265,"CCCCCCCCCCCCCCCCCCCCCC(O)=O","112-85-6","CCCCCCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCCCCCC(=O)O",{"$nulls":4},340.3341306480012,"?"]
[1266,"CCCCCCCCCCCCCCCCCCO","112-92-5","CCCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCCO",{"$nulls":4},270.2922658360004,"?"]
[1267,"CCCCCCCCCCCCCCCCCCCC","112-95-8","CCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCC",{"$nulls":4},282.3286513440007,"?"]
[1268,"[H+].[Cl-].NC(N)=N","113-00-8","N=C(N)N","N=C(N)N","[Cl-]","[H+]",null,null,95.02502487199999,"?"]
[1269,"CNC(=O)Oc1ccccc1OC(C)C","114-26-1","CNC(=O)Oc1ccccc1OC(C)C","CNC(=O)Oc1c(cccc1)OC(C)C",{"$nulls":4},209.10519334,"?"]
[1270,"CC=C","115-07-1","C=CC","C=CC",{"$nulls":4},42.046950192,"?"]
[1271,"COC","115-10-6","COC","COC",{"$nulls":4},46.041864812,"?"]
[1272,"CC(C)=C","115-11-7","C=C(C)C","C=C(C)C",{"$nulls":4},56.062600255999996,"?"]
[1273,"CC(C)(O)C=C","115-18-4","C=CC(C)(C)O","C=CC(C)(C)O",{"$nulls":4},86.07316494,"?"]
[1274,"CC(C)(O)C#C","115-19-5","C#CC(C)(C)O","C#CC(C)(C)O",{"$nulls":4},84.057514876,"?"]
[1275,"OCC(Cl)(Cl)Cl","115-20-8","OCC(Cl)(Cl)Cl","OCC(Cl)(Cl)Cl",{"$nulls":4},147.924947756,"?"]
[1276,"CC[S](=O)(=O)C(C)(C)[S](=O)(=O)CC","115-24-2","CCS(=O)(=O)C(C)(C)S(=O)(=O)CC","CCS(=O)(=O)C(C)(C)S(=O)(=O)CC",{"$nulls":4},228.049000992,"?"]
[1277,"FC1(F)C(F)(F)C(F)(F)C1(F)F","115-25-3","FC1(F)C(F)(F)C(F)(F)C1(F)F","FC1(C(C(C1(F)F)(F)F)(F)F)F",{"$nulls":4},199.98722576,"?"]
[1278,"CN(C)[P](F)(=O)N(C)C","115-26-4","CN(C)P(=O)(F)N(C)C","CN(C)P(=O)(F)N(C)C",{"$nulls":4},154.06712785399998,"?"]
[1279,"OC(=O)C1C(C(O)=O)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl","115-28-6","O=C(O)C1C(C(=O)O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl","O=C(O)C1C2(C(=C(C(C1C(=O)O)(C2(Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},385.8240746880001,"?"]
[1280,"ClC1=C(Cl)C2(Cl)C3CO[S](=O)OCC3C1(Cl)C2(Cl)Cl","115-29-7","O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},403.81688113200016,"?"]
[1281,"OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl","115-32-2","OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl","OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C(Cl)(Cl)Cl",{"$nulls":4},367.9096033080002,"?"]
[1282,"COC1=CC=C2[CH]3Cc4ccc(OC)c5O[CH]1[C]2(CCN3C)c45","115-37-7","COC1=CC=C2C3Cc4ccc(OC)c5c4C2(CCN3C)C1O5","COC=1C2C34C(=CC1)C(N(CC3)C)Cc5c4c(c(cc5)OC)O2",{"$nulls":4},311.1521435320006,"?"]
[1283,"C=CCC1(C(=O)NC(=O)NC1=O)c2ccccc2","115-43-5","C=CCC1(c2ccccc2)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)c2ccccc2",{"$nulls":4},244.084792244,"?"]
[1284,"CCCCCC1(CC)C(=O)NC(=O)NC1=O","115-58-2","CCCCCC1(CC)C(=O)NC(=O)NC1=O","CCCCCC1(C(NC(NC1=O)=O)=O)CC",{"$nulls":4},226.131742436,"?"]
[1285,"CC(N)(CO)CO","115-69-5","CC(N)(CO)CO","CC(N)(CO)CO",{"$nulls":4},105.078978592,"?"]
[1286,"CCC(N)(CO)CO","115-70-8","CCC(N)(CO)CO","CCC(N)(CO)CO",{"$nulls":4},119.094628656,"?"]
[1287,"CCC(CC)(CO)CO","115-76-4","CCC(CC)(CO)CO","CCC(CC)(CO)CO",{"$nulls":4},132.115029752,"?"]
[1288,"OCC(CO)(CO)CO","115-77-5","OCC(CO)(CO)CO","OCC(CO)(CO)CO",{"$nulls":4},136.073558864,"?"]
[1289,"O=[P](Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3","115-86-6","O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3",{"$nulls":4},326.07079559000044,"?"]
[1290,"CCCCCCCCO[P](=O)(Oc1ccccc1)Oc2ccccc2","115-88-8","CCCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1","CCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2",{"$nulls":4},362.1646959740007,"?"]
[1291,"CO[P](=O)(Oc1ccccc1)Oc2ccccc2","115-89-9","COP(=O)(Oc1ccccc1)Oc1ccccc1","COP(=O)(Oc1ccccc1)Oc2ccccc2",{"$nulls":4},264.0551455260002,"?"]
[1292,"CCO[P](=S)(OCC)Oc1ccc(cc1)[S](C)=O","115-90-2","CCOP(=S)(OCC)Oc1ccc(S(C)=O)cc1","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O",{"$nulls":4},308.03058765400044,"?"]
[1293,"ClCCO[P](=O)(OCCCl)OCCCl","115-96-8","O=P(OCCCl)(OCCCl)OCCCl","O=P(OCCCl)(OCCCl)OCCCl",{"$nulls":4},283.9538785340003,"?"]
[1294,"CCNC(=O)CS[P](=S)(OC)OC","116-01-8","CCNC(=O)CSP(=S)(OC)OC","CCNC(=O)CSP(=S)(OC)OC",{"$nulls":4},243.01527193799998,"?"]
[1295,"CNC(=O)ON=CC(C)(C)SC","116-06-3","CNC(=O)ON=CC(C)(C)SC","CNC(=O)ON=CC(C)(C)SC",{"$nulls":4},190.077598688,"?"]
[1296,"CC(=O)CO","116-09-6","CC(=O)CO","CC(=O)CO",{"$nulls":4},74.036779432,"?"]
[1297,"COC(C)=C","116-11-0","C=C(C)OC","C=C(C)OC",{"$nulls":4},72.057514876,"?"]
[1298,"FC(F)=C(F)F","116-14-3","FC(F)=C(F)F","FC(F)=C(F)F",{"$nulls":4},99.99361288,"?"]
[1299,"CC1(C)N(CO)C(=O)NC1=O","116-25-6","CC1(C)C(=O)NC(=O)N1CO","CC1(N(C(NC1=O)=O)CO)C",{"$nulls":4},158.06914218,"?"]
[1300,"Clc1ccc(cc1)[S](=O)(=O)c2cc(Cl)c(Cl)cc2Cl","116-29-0","O=S(=O)(c1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl","O=S(=O)(c1ccc(cc1)Cl)c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},353.8842611520002,"?"]
[1301,"Nc1ccc(cc1)[S](=O)(=O)Nc2cnccn2","116-44-9","Nc1ccc(S(=O)(=O)Nc2cnccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2nccnc2",{"$nulls":4},250.05244656,"?"]
[1302,"Nc1ccc(cc1)[S](=O)(=O)NC#N","116-47-2","N#CNS(=O)(=O)c1ccc(N)cc1","N#CNS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},197.025897464,"?"]
[1303,"CCC(C)C(O)=O","116-53-0","CCC(C)C(=O)O","CCC(C)C(=O)O",{"$nulls":4},102.06807956,"?"]
[1304,"Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12","116-85-8","Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O","Nc1c2c(c(cc1)O)C(c3c(C2=O)cccc3)=O",{"$nulls":4},239.058243148,"?"]
[1305,"O[S](=O)(=O)c1cccc2C(=O)c3c(cccc3[S](O)(=O)=O)C(=O)c12","117-14-6","O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2cccc(S(=O)(=O)O)c21","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)cccc2S(=O)(=O)O",{"$nulls":4},367.96605921600013,"?"]
[1306,"[O-][N+](=O)c1c(Cl)c(Cl)cc(Cl)c1Cl","117-18-0","O=[N+]([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl","O=[N+]([O-])c1c(c(cc(c1Cl)Cl)Cl)Cl",{"$nulls":4},258.87613899200005,"?"]
[1307,"OC(=O)C(c1ccccc1)c2ccccc2","117-34-0","O=C(O)C(c1ccccc1)c1ccccc1","O=C(O)C(c1ccccc1)c2ccccc2",{"$nulls":4},212.083729624,"?"]
[1308,"Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O","117-39-5","O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12","O=c1c2c(oc(c1O)-c3cc(c(cc3)O)O)cc(O)cc2O",{"$nulls":4},302.0426526600003,"?"]
[1309,"Nc1ccc2C(=O)c3ccccc3C(=O)c2c1","117-79-3","Nc1ccc2c(c1)C(=O)c1ccccc1C2=O","Nc1cc2c(cc1)C(c3c(C2=O)cccc3)=O",{"$nulls":4},223.063328528,"?"]
[1310,"ClC1=C(Cl)C(=O)c2ccccc2C1=O","117-80-6","O=C1C(Cl)=C(Cl)C(=O)c2ccccc21","O=C1c2c(C(C(=C1Cl)Cl)=O)cccc2",{"$nulls":4},225.958834728,"?"]
[1311,"CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC","117-81-7","CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC",{"$nulls":4},390.2770096960011,"?"]
[1312,"COCCOC(=O)c1ccccc1C(=O)OCCOC","117-82-8","COCCOC(=O)c1ccccc1C(=O)OCCOC","COCCOC(=O)c1c(cccc1)C(=O)OCCOC",{"$nulls":4},282.1103382960005,"?"]
[1313,"CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC","117-84-0","CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC","CCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC",{"$nulls":4},390.2770096960011,"?"]
[1314,"CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1","117-89-5","CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1","CN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3",{"$nulls":4},407.16430342800066,"?"]
[1315,"NC1=NC(=O)c2ncn(C3OC(CO)C(O)C3O)c2N1","118-00-3","Nc1nc(=O)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1","Nc1[nH]c2c(c(n1)=O)ncn2C3C(C(C(O3)CO)O)O",{"$nulls":4},283.09166851600037,"?"]
[1316,"COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5cc34","118-08-1","COc1ccc2c(c1OC)C(=O)OC2C1c2cc3c(cc2CCN1C)OCO3","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3cc5OCOc5c4)C)OC",{"$nulls":4},383.1368873920005,"?"]
[1317,"O[CH]([CH]1C[CH]2CCN1C[CH]2C=C)c3ccnc4ccccc34","118-10-5","C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",{"$nulls":4},294.1732133240006,"?"]
[1318,"Nc1ccc2c(c1)cc(cc2[S](O)(=O)=O)[S](O)(=O)=O","118-33-2","Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1","Nc1cc2c(cc1)c(S(=O)(=O)O)cc(S(=O)(=O)O)c2",{"$nulls":4},302.9871290080002,"?"]
[1319,"CCNc1cccc2ccccc12","118-44-5","CCNc1cccc2ccccc12","CCNc1c2c(ccc1)cccc2",{"$nulls":4},171.104799416,"?"]
[1320,"CC1(C)N(Cl)C(=O)N(Cl)C1=O","118-52-5","CC1(C)C(=O)N(Cl)C(=O)N1Cl","CC1(N(C(N(C1=O)Cl)=O)Cl)C",{"$nulls":4},195.980632792,"?"]
[1321,"Oc1ccccc1C(=O)Oc2ccccc2","118-55-8","O=C(Oc1ccccc1)c1ccccc1O","O=C(Oc1ccccc1)c2c(cccc2)O",{"$nulls":4},214.06299418,"?"]
[1322,"CC1=C(O)C(=O)C=CO1","118-71-8","Cc1occc(=O)c1O","Cc1c(c(cco1)=O)O",{"$nulls":4},126.031694052,"?"]
[1323,"Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","118-74-1","Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},281.81311608,"?"]
[1324,"ClC1=C(Cl)C(=O)C(=C(Cl)C1=O)Cl","118-75-2","O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl","O=C1C(=C(C(C(=C1Cl)Cl)=O)Cl)Cl",{"$nulls":4},243.86523996,"?"]
[1325,"Oc1c(Br)cc(Br)cc1Br","118-79-6","Oc1c(Br)cc(Br)cc1Br","Oc1c(cc(cc1Br)Br)Br",{"$nulls":4},327.7734010160001,"?"]
[1326,"[O-][N+](=O)c1ccc(Cl)cc1C(F)(F)F","118-83-2","O=[N+]([O-])c1ccc(Cl)cc1C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)Cl)C(F)(F)F",{"$nulls":4},224.980440676,"?"]
[1327,"Cc1ccccc1C(O)=O","118-90-1","Cc1ccccc1C(=O)O","Cc1c(cccc1)C(=O)O",{"$nulls":4},136.052429496,"?"]
[1328,"OC(=O)c1ccccc1Cl","118-91-2","O=C(O)c1ccccc1Cl","O=C(O)c1c(cccc1)Cl",{"$nulls":4},155.99780708,"?"]
[1329,"Nc1ccccc1C(O)=O","118-92-3","Nc1ccccc1C(=O)O","Nc1c(cccc1)C(=O)O",{"$nulls":4},137.047678464,"?"]
[1330,"Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","118-96-7","Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},227.01783488,"?"]
[1331,"CCO[P](=S)(OCC)OC1=NN(C(=O)C=C1)c2ccccc2","119-12-0","CCOP(=S)(OCC)Oc1ccc(=O)n(-c2ccccc2)n1","CCOP(=S)(OCC)Oc1nn(c(cc1)=O)-c2ccccc2",{"$nulls":4},340.06466465400047,"?"]
[1332,"Oc1ccc(Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1","119-15-3","O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)Nc2ccc(cc2)O)[N+](=O)[O-]",{"$nulls":4},275.05422038800026,"?"]
[1333,"Oc1cc(cc2ccc(Nc3ccccc3)cc12)[S](O)(=O)=O","119-19-7","O=S(=O)(O)c1cc(O)c2cc(Nc3ccccc3)ccc2c1","O=S(=O)(O)c1cc2c(c(c1)O)cc(Nc3ccccc3)cc2",{"$nulls":4},315.0565288960003,"?"]
[1334,"COc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O","119-27-7","COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},198.027671292,"?"]
[1335,"Cc1ccc(O)c(c1)[N+]([O-])=O","119-33-5","Cc1ccc(O)c([N+](=O)[O-])c1","Cc1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},153.042593084,"?"]
[1336,"COC(=O)c1ccccc1O","119-36-8","COC(=O)c1ccccc1O","COC(=O)c1c(cccc1)O",{"$nulls":4},152.047344116,"?"]
[1337,"CC(C)n1nc(C)cc1OC(=O)N(C)C","119-38-0","Cc1cc(OC(=O)N(C)C)n(C(C)C)n1","Cc1nn(c(c1)OC(=O)N(C)C)C(C)C",{"$nulls":4},211.132076784,"?"]
[1338,"Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(O)c(c1)C(C)(C)C","119-47-1","Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1","Cc1cc(c(c(c1)Cc2c(c(cc(c2)C)C(C)(C)C)O)O)C(C)(C)C","BIS",{"$nulls":3},513.1495547600009,"?"]
[1339,"CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2","119-48-2","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2",{"$nulls":4},398.289305696001,"?"]
[1340,"OC(c1ccccc1)C(=O)c2ccccc2","119-53-9","O=C(c1ccccc1)C(O)c1ccccc1","O=C(c1ccccc1)C(O)c2ccccc2",{"$nulls":4},212.083729624,"?"]
[1341,"OC(c1ccccc1)c2ccc(Cl)cc2","119-56-2","OC(c1ccccc1)c1ccc(Cl)cc1","OC(c1ccccc1)c2ccc(cc2)Cl",{"$nulls":4},218.049842652,"?"]
[1342,"O=C(c1ccccc1)c2ccccc2","119-61-9","O=C(c1ccccc1)c1ccccc1","O=C(c1ccccc1)c2ccccc2",{"$nulls":4},182.07316494,"?"]
[1343,"C1CCc2ccccc2C1","119-64-2","c1ccc2c(c1)CCCC2","c1cc2c(cc1)CCCC2",{"$nulls":4},132.093900384,"?"]
[1344,"c1ccc2cnccc2c1","119-65-3","c1ccc2cnccc2c1","c1cc2c(cc1)cncc2",{"$nulls":4},129.057849224,"?"]
[1345,"CNc1ccccc1C(O)=O","119-68-6","CNc1ccccc1C(=O)O","CNc1c(cccc1)C(=O)O",{"$nulls":4},151.063328528,"?"]
[1346,"O=C1CCc2ccccc2O1","119-84-6","O=C1CCc2ccccc2O1","O=C1Oc2c(CC1)cccc2",{"$nulls":4},148.052429496,"?"]
[1347,"COc1cc(ccc1N)c2ccc(N)c(OC)c2","119-90-4","COc1cc(-c2ccc(N)c(OC)c2)ccc1N","COc1c(ccc(c1)-c2cc(c(cc2)N)OC)N",{"$nulls":4},244.121177752,"?"]
[1348,"c1ccc2nc(ccc2c1)c3ccc4ccccc4n3","119-91-5","c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1","c1cc2c(cc1)nc(-c3nc4c(cc3)cccc4)cc2",{"$nulls":4},256.100048384,"?"]
[1349,"Cc1cc(ccc1N)c2ccc(N)c(C)c2","119-93-7","Cc1cc(-c2ccc(N)c(C)c2)ccc1N","Cc1c(ccc(c1)-c2cc(c(cc2)N)C)N",{"$nulls":4},212.131348512,"?"]
[1350,"OCCN(CCO)c1ccccc1","120-07-0","OCCN(CCO)c1ccccc1","OCCN(CCO)c1ccccc1",{"$nulls":4},181.11027872,"?"]
[1351,"c1ccc2cc3ccccc3cc2c1","120-12-7","c1ccc2cc3ccccc3cc2c1","c1cc2c(cc1)cc3c(cccc3)c2",{"$nulls":4},178.07825032,"?"]
[1352,"COc1ccc(C=O)cc1OC","120-14-9","COc1ccc(C=O)cc1OC","COc1c(cc(cc1)C=O)OC",{"$nulls":4},166.06299418,"?"]
[1353,"O[S](=O)(=O)c1ccc2ccccc2c1","120-18-3","O=S(=O)(O)c1ccc2ccccc2c1","O=S(=O)(O)c1cc2c(cc1)cccc2",{"$nulls":4},208.019415116,"?"]
[1354,"CCOc1ccc(C=O)cc1OC","120-25-2","CCOc1ccc(C=O)cc1OC","CCOc1c(cc(cc1)C=O)OC",{"$nulls":4},180.078644244,"?"]
[1355,"Oc1ccc(Cl)cc1Cc2ccccc2","120-32-1","Oc1ccc(Cl)cc1Cc1ccccc1","Oc1c(cc(cc1)Cl)Cc2ccccc2",{"$nulls":4},218.049842652,"?"]
[1356,"CC(Oc1ccc(Cl)cc1Cl)C(O)=O","120-36-5","CC(Oc1ccc(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O",{"$nulls":4},233.985049476,"?"]
[1357,"CCOC(=O)c1ccc(O)cc1","120-47-8","CCOC(=O)c1ccc(O)cc1","CCOC(=O)c1ccc(cc1)O",{"$nulls":4},166.06299418,"?"]
[1358,"O=Cc1ccc2OCOc2c1","120-57-0","O=Cc1ccc2c(c1)OCO2","O=Cc1cc2c(cc1)OCO2",{"$nulls":4},150.031694052,"?"]
[1359,"COC(=O)c1ccc(cc1)C(=O)OC","120-61-6","COC(=O)c1ccc(C(=O)OC)cc1","COC(=O)c1ccc(cc1)C(=O)OC",{"$nulls":4},194.0579088,"?"]
[1360,"[nH]1ccc2ccccc12","120-72-9","c1ccc2[nH]ccc2c1","c1cc2c(cc1)[nH]cc2",{"$nulls":4},117.057849224,"?"]
[1361,"[nH]1cnc2ncncc12","120-73-0","c1ncc2[nH]cnc2n1","c1nc2c(cn1)[nH]cn2",{"$nulls":4},120.04359612799999,"?"]
[1362,"S(Sc1sc2ccccc2n1)c3sc4ccccc4n3","120-78-5","c1ccc2sc(SSc3nc4ccccc4s3)nc2c1","c1cc2c(cc1)sc(SSc3sc4c(n3)cccc4)n2",{"$nulls":4},331.9570322560002,"?"]
[1363,"Oc1ccccc1O","120-80-9","Oc1ccccc1O","Oc1c(cccc1)O",{"$nulls":4},110.036779432,"?"]
[1364,"Clc1ccc(Cl)c(Cl)c1","120-82-1","Clc1ccc(Cl)c(Cl)c1","Clc1cc(c(cc1)Cl)Cl",{"$nulls":4},179.930033136,"?"]
[1365,"Oc1ccc(Cl)cc1Cl","120-83-2","Oc1ccc(Cl)cc1Cl","Oc1c(cc(cc1)Cl)Cl",{"$nulls":4},161.963920108,"?"]
[1366,"O=C1NC(=O)C(=O)N1","120-89-8","O=C1NC(=O)C(=O)N1","O=C1NC(C(N1)=O)=O",{"$nulls":4},114.006541924,"?"]
[1367,"Cc1ccc(cc1[S](O)(=O)=O)[N+]([O-])=O","121-03-9","Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)O",{"$nulls":4},217.004493324,"?"]
[1368,"Cc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O","121-14-2","Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},182.032756672,"?"]
[1369,"CC(C)=C[CH]1[CH](C(=O)O[CH]2CC(=O)C(=C2C)CC=CC=C)C1(C)C","121-21-1","C=CC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",{"$nulls":4},328.20384475600076,"?"]
[1370,"COC(=O)C(C)=C[CH]1[CH](C(=O)O[CH]2CC(=O)C(=C2C)CC=CC=C)C1(C)C","121-29-9","C=CC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C(=O)OC)C2(C)C)CC1=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C(=O)OC)(C)C)=O",{"$nulls":4},372.1936739960008,"?"]
[1371,"CCOc1cc(C=O)ccc1O","121-32-4","CCOc1cc(C=O)ccc1O","CCOc1c(ccc(c1)C=O)O",{"$nulls":4},166.06299418,"?"]
[1372,"COc1cc(C=O)ccc1O","121-33-5","COc1cc(C=O)ccc1O","COc1c(ccc(c1)C=O)O",{"$nulls":4},152.047344116,"?"]
[1373,"COc1cc(ccc1O)C(O)=O","121-34-6","COc1cc(C(=O)O)ccc1O","COc1c(ccc(c1)C(=O)O)O",{"$nulls":4},168.042258736,"?"]
[1374,"CCN(CC)CC","121-44-8","CCN(CC)CC","CCN(CC)CC",{"$nulls":4},101.12044947999999,"?"]
[1375,"Nc1ccc(cc1)[S](O)(=O)=O","121-57-3","Nc1ccc(S(=O)(=O)O)cc1","Nc1ccc(cc1)S(=O)(=O)O",{"$nulls":4},173.014664084,"?"]
[1376,"CC(=O)Nc1ccc(cc1)[S](N)(=O)=O","121-61-9","CC(=O)Nc1ccc(S(N)(=O)=O)cc1","CC(=O)Nc1ccc(cc1)S(N)(=O)=O",{"$nulls":4},214.04121318,"?"]
[1377,"CN(C)c1ccccc1","121-69-7","CN(C)c1ccccc1","CN(C)c1ccccc1",{"$nulls":4},121.08914935199999,"?"]
[1378,"[O-][N+](=O)c1cccc(Cl)c1","121-73-3","O=[N+]([O-])c1cccc(Cl)c1","O=[N+]([O-])c1cc(ccc1)Cl",{"$nulls":4},156.993056048,"?"]
[1379,"CCOC(=O)CC(S[P](=S)(OC)OC)C(=O)OCC","121-75-5","CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC","CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC",{"$nulls":4},330.0360669580005,"?"]
[1380,"CCCOC(=O)c1cc(O)c(O)c(O)c1","121-79-9","CCCOC(=O)c1cc(O)c(O)c(O)c1","CCCOC(=O)c1cc(c(c(c1)O)O)O",{"$nulls":4},212.068473484,"?"]
[1381,"[O-][N+](=O)N1CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O","121-82-4","O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])C1","O=[N+]([O-])N1CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},222.034881912,"?"]
[1382,"OC(=O)c1cccc(c1)C(O)=O","121-91-5","O=C(O)c1cccc(C(=O)O)c1","O=C(O)c1cc(ccc1)C(=O)O",{"$nulls":4},166.026608672,"?"]
[1383,"OC(=O)c1cccc(c1)[N+]([O-])=O","121-92-6","O=C(O)c1cccc([N+](=O)[O-])c1","O=C(O)c1cc(ccc1)[N+](=O)[O-]",{"$nulls":4},167.02185764,"?"]
[1384,"COC(=O)c1ccc(OC)cc1","121-98-2","COC(=O)c1ccc(OC)cc1","COC(=O)c1ccc(cc1)OC",{"$nulls":4},166.06299418,"?"]
[1385,"CC(=O)c1ccc(C)cc1","122-00-9","CC(=O)c1ccc(C)cc1","CC(=O)c1ccc(cc1)C",{"$nulls":4},134.07316494,"?"]
[1386,"COc1cc(N[S](=O)(=O)c2ccc(N)cc2)nc(OC)n1","122-11-2","COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)OC",{"$nulls":4},310.0735759280004,"?"]
[1387,"CO[P](=S)(OC)Oc1ccc(c(C)c1)[N+]([O-])=O","122-14-5","COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C)c1","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])C",{"$nulls":4},277.01738011400033,"?"]
[1388,"CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1","122-15-6","CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1","CN(C)C(=O)OC=1CC(CC(C1)=O)(C)C",{"$nulls":4},211.120843404,"?"]
[1389,"CC(O)CN(CC(C)O)CC(C)O","122-20-3","CC(O)CN(CC(C)O)CC(C)O","CC(O)CN(CC(C)O)CC(C)O",{"$nulls":4},191.152143532,"?"]
[1390,"CCNc1nc(Cl)nc(NCC)n1","122-34-9","CCNc1nc(Cl)nc(NCC)n1","CCNc1nc(nc(n1)Cl)NCC",{"$nulls":4},201.07812306399998,"?"]
[1391,"N(c1ccccc1)c2ccccc2","122-39-4","c1ccc(Nc2ccccc2)cc1","c1ccc(cc1)Nc2ccccc2",{"$nulls":4},169.089149352,"?"]
[1392,"CC(C)OC(=O)Nc1ccccc1","122-42-9","CC(C)OC(=O)Nc1ccccc1","CC(C)OC(=O)Nc1ccccc1",{"$nulls":4},179.094628656,"?"]
[1393,"OC(=O)COc1ccccc1","122-59-8","O=C(O)COc1ccccc1","O=C(O)COc1ccccc1",{"$nulls":4},152.04734411599998,"?"]
[1394,"C1OC1COc2ccccc2","122-60-1","c1ccc(OCC2CO2)cc1","c1ccc(cc1)OCC2OC2",{"$nulls":4},150.06807956,"?"]
[1395,"N(Nc1ccccc1)c2ccccc2","122-66-7","c1ccc(NNc2ccccc2)cc1","c1ccc(cc1)NNc2ccccc2",{"$nulls":4},184.100048384,"?"]
[1396,"CC(=O)Nc1ccc(N)cc1","122-80-5","CC(=O)Nc1ccc(N)cc1","CC(=O)Nc1ccc(cc1)N",{"$nulls":4},150.07931294,"?"]
[1397,"OC(=O)COc1ccc(Cl)cc1","122-88-3","O=C(O)COc1ccc(Cl)cc1","O=C(O)COc1ccc(cc1)Cl",{"$nulls":4},186.00837176399997,"?"]
[1398,"OCCCc1ccccc1","122-97-4","OCCCc1ccccc1","OCCCc1ccccc1",{"$nulls":4},136.088815004,"?"]
[1399,"OCCNc1ccccc1","122-98-5","OCCNc1ccccc1","OCCNc1ccccc1",{"$nulls":4},137.084063972,"?"]
[1400,"OCCOc1ccccc1","122-99-6","OCCOc1ccccc1","OCCOc1ccccc1",{"$nulls":4},138.06807956,"?"]
[1401,"CCCCC(CC)CCl","123-04-6","CCCCC(CC)CCl","CCCCC(CC)CCl",{"$nulls":4},148.101878224,"?"]
[1402,"CCCCC(CC)C=O","123-05-7","CCCCC(C=O)CC","CCCCC(C=O)CC",{"$nulls":4},128.120115132,"?"]
[1403,"CCc1ccc(O)cc1","123-07-9","CCc1ccc(O)cc1","CCc1ccc(cc1)O",{"$nulls":4},122.07316494,"?"]
[1404,"Oc1ccc(C=O)cc1","123-08-0","O=Cc1ccc(O)cc1","O=Cc1ccc(cc1)O",{"$nulls":4},122.036779432,"?"]
[1405,"COc1ccc(C=O)cc1","123-11-5","COc1ccc(C=O)cc1","COc1ccc(cc1)C=O",{"$nulls":4},136.052429496,"?"]
[1406,"CCCC(C)C=O","123-15-9","CCCC(C)C=O","CCCC(C)C=O",{"$nulls":4},100.088815004,"?"]
[1407,"CCCC(=O)CCC","123-19-3","CCCC(=O)CCC","CCCC(=O)CCC",{"$nulls":4},114.104465068,"?"]
[1408,"OC(=O)CCC(=O)OOC(=O)CCC(O)=O","123-23-9","O=C(O)CCC(=O)OOC(=O)CCC(=O)O","O=C(O)CCC(=O)OOC(=O)CCC(=O)O",{"$nulls":4},234.03756728000002,"?"]
[1409,"CCOC(=O)CCC(=O)OCC","123-25-1","CCOC(=O)CCC(=O)OCC","CCOC(=O)CCC(=O)OCC",{"$nulls":4},174.089208928,"?"]
[1410,"CCCCCCCCC(=O)OCC","123-29-5","CCCCCCCCC(=O)OCC","CCCCCCCCC(=O)OCC",{"$nulls":4},186.161979944,"?"]
[1411,"Nc1ccc(O)cc1","123-30-8","Nc1ccc(O)cc1","Nc1ccc(cc1)O",{"$nulls":4},109.052763844,"?"]
[1412,"Oc1ccc(O)cc1","123-31-9","Oc1ccc(O)cc1","Oc1ccc(cc1)O",{"$nulls":4},110.036779432,"?"]
[1413,"O=C1NNC(=O)C=C1","123-33-1","O=c1ccc(=O)[nH][nH]1","O=c1[nH][nH]c(cc1)=O",{"$nulls":4},112.027277368,"?"]
[1414,"CC(C)=CCCC(=C)C=C","123-35-3","C=CC(=C)CCC=C(C)C","C=CC(=C)CCC=C(C)C",{"$nulls":4},136.125200512,"?"]
[1415,"CCC=O","123-38-6","CCC=O","CCC=O",{"$nulls":4},58.041864812,"?"]
[1416,"CNC=O","123-39-7","CNC=O","CNC=O",{"$nulls":4},59.03711378,"?"]
[1417,"CC(=O)CC(C)(C)O","123-42-2","CC(=O)CC(C)(C)O","CC(=O)CC(C)(C)O",{"$nulls":4},116.083729624,"?"]
[1418,"CC(C)CCO","123-51-3","CC(C)CCO","CC(C)CCO",{"$nulls":4},88.088815004,"?"]
[1419,"CC(=O)CC(C)=O","123-54-6","CC(=O)CC(C)=O","CC(=O)CC(C)=O",{"$nulls":4},100.052429496,"?"]
[1420,"O=C1CCC(=O)N1","123-56-8","O=C1CCC(=O)N1","O=C1NC(CC1)=O",{"$nulls":4},99.0320284,"?"]
[1421,"CC1OC(C)OC(C)O1","123-63-7","CC1OC(C)OC(C)O1","CC1OC(OC(O1)C)C",{"$nulls":4},132.078644244,"?"]
[1422,"CCCCCC(=O)OCC","123-66-0","CCCCCC(=O)OCC","CCCCCC(=O)OCC",{"$nulls":4},144.115029752,"?"]
[1423,"CCCC=O","123-72-8","CCCC=O","CCCC=O",{"$nulls":4},72.057514876,"?"]
[1424,"CC=CC=O","123-73-9","CC=CC=O","CC=CC=O",{"$nulls":4},70.041864812,"?"]
[1425,"[H+].[Cl-].C1CCNC1","123-75-1","C1CCNC1","C1CNCC1","[Cl-]","[H+]",null,null,107.05017699999999,"?"]
[1426,"CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC","123-79-5","CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC","CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC",{"$nulls":4},370.3083098240012,"?"]
[1427,"CC(O)CNCCN","123-84-2","CC(O)CNCCN","CC(O)CNCCN",{"$nulls":4},118.11061306799999,"?"]
[1428,"CCCCOC(C)=O","123-86-4","CCCCOC(C)=O","CCCCOC(C)=O",{"$nulls":4},116.083729624,"?"]
[1429,"[Cl-].COCC[Hg+]","123-88-6","COCC[Hg+]","COCC[Hg+]","[Cl-]",{"$nulls":3},295.9891855240001,"Errors in neutralization"]
[1430,"C1COCCO1","123-91-1","C1COCCO1","C1OCCOC1",{"$nulls":4},88.052429496,"?"]
[1431,"CC(C)CCOC(C)=O","123-92-2","CC(=O)OCCC(C)C","CC(=O)OCCC(C)C",{"$nulls":4},130.099379688,"?"]
[1432,"OC(=O)CSCC(O)=O","123-93-3","O=C(O)CSCC(=O)O","O=C(O)CSCC(=O)O",{"$nulls":4},149.998679672,"?"]
[1433,"CCCCCCC(C)O","123-96-6","CCCCCCC(C)O","CCCCCCC(C)O",{"$nulls":4},130.135765196,"?"]
[1434,"OC(=O)CCCCCCCC(O)=O","123-99-9","O=C(O)CCCCCCCC(=O)O","O=C(O)CCCCCCCC(=O)O",{"$nulls":4},188.104858992,"?"]
[1435,"C=CCNCC=C","124-02-7","C=CCNCC=C","C=CCNCC=C",{"$nulls":4},97.08914935199999,"?"]
[1436,"OC(=O)CCCCC(O)=O","124-04-9","O=C(O)CCCCC(=O)O","O=C(O)CCCCC(=O)O",{"$nulls":4},146.0579088,"?"]
[1437,"CCCCCCCC(O)=O","124-07-2","CCCCCCCC(=O)O","CCCCCCCC(=O)O",{"$nulls":4},144.115029752,"?"]
[1438,"NCCCCCCN","124-09-4","NCCCCCCN","NCCCCCCN",{"$nulls":4},116.13134851199999,"?"]
[1439,"CCCCCCCC=C","124-11-8","C=CCCCCCCC","C=CCCCCCCC",{"$nulls":4},126.14085057599999,"?"]
[1440,"CCCCCCCC=O","124-13-0","CCCCCCCC=O","CCCCCCCC=O",{"$nulls":4},128.120115132,"?"]
[1441,"CCCCOCCOCCOC(C)=O","124-17-4","CCCCOCCOCCOC(C)=O","CCCCOCCOCCOC(C)=O",{"$nulls":4},204.13615912,"?"]
[1442,"CCCCCCCCCC","124-18-5","CCCCCCCCCC","CCCCCCCCCC",{"$nulls":4},142.172150704,"?"]
[1443,"CCCCCCCCC=O","124-19-6","CCCCCCCCC=O","CCCCCCCCC=O",{"$nulls":4},142.135765196,"?"]
[1444,"CCCCCCCCCCCCN","124-22-1","CCCCCCCCCCCCN","CCCCCCCCCCCCN",{"$nulls":4},185.21434986399998,"?"]
[1445,"O=C=O","124-38-9","O=C=O","O=C=O",{"$nulls":4},43.98982924,"?"]
[1446,"CNC","124-40-3","CNC","CNC",{"$nulls":4},45.057849223999995,"?"]
[1447,"ClC(Br)Br","124-48-1","ClC(Br)Br","ClC(Br)Br",{"$nulls":4},205.813351912,"?"]
[1448,"C[As](O)(O)=O","124-58-3","C[As](=O)(O)O","C[As](=O)(O)O",{"$nulls":4},139.94546552,"?"]
[1449,"[Cl-].OC[P+](CO)(CO)CO","124-64-1","OC[P+](CO)(CO)CO","OC[P+](CO)(CO)CO","[Cl-]",{"$nulls":3},190.016173174,"?"]
[1450,"CC(C)(N)CO","124-68-5","CC(C)(N)CO","CC(C)(N)CO",{"$nulls":4},89.084063972,"?"]
[1451,"FC(Br)C(F)(F)F","124-72-1","FC(Br)C(F)(F)F","FC(Br)C(F)(F)F",{"$nulls":4},179.919775012,"?"]
[1452,"FC(F)(Br)C(F)(F)Br","124-73-2","FC(F)(Br)C(F)(F)Br","FC(F)(Br)C(F)(F)Br",{"$nulls":4},257.83028708,"?"]
[1453,"CC1(C)[CH](CC[C]1(C)C([O-])=O)C([O-])=O","124-83-4","CC1(C(=O)[O-])CCC(C(=O)[O-])C1(C)C","CC1(C(C(CC1)C(=O)O)(C)C)C(=O)O",{"$nulls":4},198.089208928,"Structure has been neutralized"]
[1454,"CC(=C)[CH]1C2OC(=O)C1[C]3(O)CC4O[C]45C(=O)O[CH]2[C]35C.CC(C)(O)[CH]6C7OC(=O)C6[C]8(O)C[CH]9O[C]9%10C(=O)O[CH]7[C]8%10C","124-87-8","CC(C)(O)C1C2OC(=O)C1C1(O)CC3OC34C(=O)OC2C14C","CC(C)(O)C1C2C(OC1C3OC(C45C(CC2(C43C)O)O5)=O)=O","CC(=C)C1C2OC(=O)C1C3(O)CC4OC45C(=O)OC2C35C",{"$nulls":3},602.199941148001,"?"]
[1455,"C[C]12C[CH](O)[C]3(F)[CH](CCC4=CC(=O)C=C[C]34C)[CH]1C[CH](O)[C]2(O)C(=O)CO","124-94-7","CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F","CC12C(=CC(C=C1)=O)CCC3C2(C(CC4(C3CC(O)C4(O)C(=O)CO)C)O)F",{"$nulls":4},394.17916680400066,"?"]
[1456,"CCC1(C(=O)NCNC1=O)c2ccccc2","125-33-7","CCC1(c2ccccc2)C(=O)NCNC1=O","CCC1(C(NCNC1=O)=O)c2ccccc2",{"$nulls":4},218.105527688,"?"]
[1457,"COC1CC(=O)C[CH](C)[C]12Oc3c(Cl)c(OC)cc(OC)c3C2=O","126-07-8","COc1cc(OC)c2c(c1Cl)OC1(C2=O)C(C)CC(=O)CC1OC","COc1c(c2c(c(c1)OC)C(C3(O2)C(CC(CC3C)=O)OC)=O)Cl",{"$nulls":4},354.0870160080005,"?"]
[1458,"OCC(CO)(CO)[N+]([O-])=O","126-11-4","O=[N+]([O-])C(CO)(CO)CO","O=[N+]([O-])C(CO)(CO)CO",{"$nulls":4},151.048072388,"?"]
[1459,"CC(=O)OC[CH]1O[CH](O[C]2(COC(C)=O)O[CH](COC(C)=O)[CH](OC(C)=O)[CH]2OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]1OC(C)=O","126-14-7","CC(=O)OCC1OC(OC2(COC(C)=O)OC(COC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O","CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O",{"$nulls":4},678.2007289960011,"?"]
[1460,"NC(=O)OC1(CCCCC1)C#C","126-52-3","C#CC1(OC(N)=O)CCCCC1","C#CC1(CCCCC1)OC(N)=O",{"$nulls":4},167.094628656,"?"]
[1461,"OCC(CO)(CO)COCC(CO)(CO)CO","126-58-9","OCC(CO)(CO)COCC(CO)(CO)CO","OCC(CO)(CO)COCC(CO)(CO)CO",{"$nulls":4},254.136553044,"?"]
[1462,"BrCC(Br)CO[P](=O)(OCC(Br)CBr)OCC(Br)CBr","126-72-7","O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr","O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr",{"$nulls":4},691.5808181900004,"?"]
[1463,"CCCCO[P](=O)(OCCCC)OCCCC","126-73-8","CCCCOP(=O)(OCCCC)OCCCC","CCCCOP(=O)(OCCCC)OCCCC",{"$nulls":4},266.16469597400027,"?"]
[1464,"CCO[P](=O)(OCC)SCCSCC","126-75-0","CCOP(=O)(OCC)SCCSCC","CCOP(=O)(OCC)SCCSCC",{"$nulls":4},258.05132309800007,"?"]
[1465,"CC1(C)CC(=O)CC(=O)C1","126-81-8","CC1(C)CC(=O)CC(=O)C1","CC1(CC(CC(C1)=O)=O)C",{"$nulls":4},140.083729624,"?"]
[1466,"CCCC1OC1(CC)C(N)=O","126-93-2","CCCC1OC1(CC)C(N)=O","CCCC1C(O1)(CC)C(N)=O",{"$nulls":4},157.11027872,"?"]
[1467,"CC(=C)C#N","126-98-7","C=C(C)C#N","C=C(C)C#N",{"$nulls":4},67.04219916,"?"]
[1468,"NC(=O)NO","127-07-1","NC(=O)NO","NC(=O)NO",{"$nulls":4},76.027277368,"?"]
[1469,"CC(=O)C(O)=O","127-17-3","CC(=O)C(=O)O","CC(=O)C(=O)O",{"$nulls":4},88.016043988,"?"]
[1470,"ClC(Cl)=C(Cl)Cl","127-18-4","ClC(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)Cl",{"$nulls":4},163.87541072,"?"]
[1471,"CN(C)C(C)=O","127-19-5","CC(=O)N(C)C","CC(=O)N(C)C",{"$nulls":4},87.068413908,"?"]
[1472,"C[C]12C[CH](O)[C]3(F)[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[C]2(O)C(=O)CO","127-31-1","CC12CCC(=O)C=C1CCC1C3CCC(O)(C(=O)CO)C3(C)CC(O)C12F","CC12C(=CC(CC1)=O)CCC3C2(C(CC4(C3CCC4(O)C(=O)CO)C)O)F",{"$nulls":4},380.19990224800074,"?"]
[1473,"[Cl-].CN(C)[CH]1[CH]2C[CH]3[CH](O)c4c(Cl)ccc(O)c4C(=C3C(=O)[C]2(O)C(=O)C(=C(N)O)C1=O)O.[H+]","127-33-3","CN(C)C1C(=O)C(=C(N)O)C(=O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(O)C3CC12","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4Cl)O)C2","[Cl-]","[H+]",null,null,500.07532102400046,"?"]
[1474,"CC(=O)C=CC1C(=CCCC1(C)C)C","127-41-3","CC(=O)C=CC1C(C)=CCCC1(C)C","CC(=O)C=CC1C(CCC=C1C)(C)C",{"$nulls":4},192.15141526,"?"]
[1475,"CN1C(=O)OC(C)(C)C1=O","127-48-0","CN1C(=O)OC(C)(C)C1=O","CN1C(C(OC1=O)(C)C)=O",{"$nulls":4},143.058243148,"?"]
[1476,"Cc1noc(N[S](=O)(=O)c2ccc(N)cc2)c1C","127-69-5","Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C","Cc1c(c(on1)NS(=O)(=O)c2ccc(cc2)N)C",{"$nulls":4},267.0677622760003,"?"]
[1477,"Nc1ccc(cc1)[S](=O)(=O)NC(=O)c2ccccc2","127-71-9","Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1","Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2",{"$nulls":4},276.05686324400034,"?"]
[1478,"CC(=O)Nc1ccc(cc1)[S](=O)(=O)Nc2nccc(C)n2","127-73-1","CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(ccn2)C",{"$nulls":4},306.07866130800045,"?"]
[1479,"CC(=O)Nc1ccc(cc1)[S](=O)(=O)Nc2ncccn2","127-74-2","CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",{"$nulls":4},292.0630112440004,"?"]
[1480,"CC(=O)Nc1ccc(cc1)[S](=O)(=O)Nc2sccn2","127-76-4","CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2sccn2",{"$nulls":4},297.0241832120003,"?"]
[1481,"Cc1ccnc(N[S](=O)(=O)c2ccc(N)cc2)n1","127-79-7","Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},264.06809662400025,"?"]
[1482,"[Ag+].CC([O-])C(O)=O","128-00-7","[Ag+]","[Ag+]","CC([O-])C(O)=O",{"$nulls":3},195.92896602000002,"?"]
[1483,"BrN1C(=O)CCC1=O","128-08-5","O=C1CCC(=O)N1Br","O=C1N(C(CC1)=O)Br",{"$nulls":4},176.942540468,"?"]
[1484,"ClN1C(=O)CCC1=O","128-09-6","O=C1CCC(=O)N1Cl","O=C1N(C(CC1)=O)Cl",{"$nulls":4},132.993056048,"?"]
[1485,"C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C","128-13-2","CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",{"$nulls":4},392.29265976000113,"?"]
[1486,"Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C","128-37-0","Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1","Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C",{"$nulls":4},220.182715388,"?"]
[1487,"CC(C)(C)c1cccc(c1O)C(C)(C)C","128-39-2","CC(C)(C)c1cccc(C(C)(C)C)c1O","CC(C)(C)c1c(c(ccc1)C(C)(C)C)O",{"$nulls":4},206.167065324,"?"]
[1488,"COc1ccc2[CH](OC(=O)c2c1OC)[CH]3N(C)CCc4cc5OCOc5c(OC)c34","128-62-1","COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC",{"$nulls":4},413.14745207600055,"?"]
[1489,"c1cc2ccc3cccc4ccc(c1)c2c34","129-00-0","c1cc2ccc3cccc4ccc(c1)c2c34","c1cc2ccc3cccc4ccc(c1)c2c43",{"$nulls":4},202.07825032,"?"]
[1490,"CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3","129-20-4","CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccc(cc3)O)=O",{"$nulls":4},324.1473925000006,"?"]
[1491,"Oc1cccc2C(=O)c3ccccc3C(=O)c12","129-43-1","O=C1c2ccccc2C(=O)c2c(O)cccc21","O=C1c2c(C(c3c1cccc3)=O)c(O)ccc2",{"$nulls":4},224.047344116,"?"]
[1492,"OC(=O)c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","129-66-8","O=C(O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},256.992014056,"?"]
[1493,"CN1N(c2ccccc2)C(=O)C(=C1C)I","129-81-7","Cc1c(I)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1I)=O)-c2ccccc2)C",{"$nulls":4},313.99161097200033,"?"]
[1494,"Oc1ccc(Cl)c2cccnc12","130-16-5","Oc1ccc(Cl)c2cccnc12","Oc1c2c(c(cc1)Cl)cccn2",{"$nulls":4},179.013791492,"?"]
[1495,null,"130-95-0",{"$nulls":7},""]
[1496,"COC(=O)c1ccccc1C(=O)OC","131-11-3","COC(=O)c1ccccc1C(=O)OC","COC(=O)c1c(cccc1)C(=O)OC",{"$nulls":4},194.0579088,"?"]
[1497,"CCCOC(=O)c1ccccc1C(=O)OCCC","131-16-8","CCCOC(=O)c1ccccc1C(=O)OCCC","CCCOC(=O)c1c(cccc1)C(=O)OCCC",{"$nulls":4},250.120509056,"?"]
[1498,"C=CCOC(=O)c1ccccc1C(=O)OCC=C","131-17-9","C=CCOC(=O)c1ccccc1C(=O)OCC=C","C=CCOC(=O)c1c(cccc1)C(=O)OCC=C",{"$nulls":4},246.089208928,"?"]
[1499,"COc1ccc(C(=O)Cc2c(CCN(C)C)cc3OCOc3c2OC)c(C(O)=O)c1OC","131-28-2","COc1ccc(C(=O)Cc2c(CCN(C)C)cc3c(c2OC)OCO3)c(C(=O)O)c1OC","COc1c(c(c(cc1)C(=O)Cc2c(c3c(cc2CCN(C)C)OCO3)OC)C(=O)O)OC",{"$nulls":4},445.17366682400063,"?"]
[1500,"Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C2CCCCC2","131-89-5","O=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(c(c1)C2CCCCC2)O)[N+](=O)[O-]",{"$nulls":4},266.0902715480003,"?"]
[1501,"Oc1ccc2ccccc2c1N=O","131-91-9","O=Nc1c(O)ccc2ccccc12","O=Nc1c2c(ccc1O)cccc2",{"$nulls":4},173.047678464,"?"]
[1502,"CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2","132-22-9","CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1","CN(C)CCC(c1ccc(cc1)Cl)c2ncccc2",{"$nulls":4},274.12367628800047,"?"]
[1503,"Oc1c(ccc2ccccc12)N=O","132-53-6","O=Nc1ccc2ccccc2c1O","O=Nc1c(c2c(cc1)cccc2)O",{"$nulls":4},173.047678464,"?"]
[1504,"OC(=O)c1cc(nc2ccccc12)c3ccccc3","132-60-5","O=C(O)c1cc(-c2ccccc2)nc2ccccc12","O=C(O)c1c2c(nc(c1)-c3ccccc3)cccc2",{"$nulls":4},249.078978592,"?"]
[1505,"o1c2ccccc2c3ccccc13","132-64-9","c1ccc2c(c1)oc1ccccc12","c1cc2c(cc1)c3c(o2)cccc3",{"$nulls":4},168.057514876,"?"]
[1506,"s1c2ccccc2c3ccccc13","132-65-0","c1ccc2c(c1)sc1ccccc12","c1cc2c(cc1)c3c(s2)cccc3",{"$nulls":4},184.034671256,"?"]
[1507,"OC(=O)c1ccccc1C(=O)Nc2cccc3ccccc23","132-66-1","O=C(O)c1ccccc1C(=O)Nc1cccc2ccccc12","O=C(O)c1c(cccc1)C(=O)Nc2c3c(ccc2)cccc3",{"$nulls":4},291.08954327600037,"?"]
[1508,"Oc1cc(O)c2ccccc2c1","132-86-5","Oc1cc(O)c2ccccc2c1","Oc1cc2c(c(c1)O)cccc2",{"$nulls":4},160.052429496,"?"]
[1509,"ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O","133-06-2","O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)Cl",{"$nulls":4},298.93413253600016,"?"]
[1510,"ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O","133-07-3","O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl","O=C1N(C(c2c1cccc2)=O)SC(Cl)(Cl)Cl",{"$nulls":4},294.90283240800005,"?"]
[1511,"Nc1ccc(c(O)c1)C(=O)Oc2ccccc2","133-11-9","Nc1ccc(C(=O)Oc2ccccc2)c(O)c1","Nc1cc(c(cc1)C(=O)Oc2ccccc2)O",{"$nulls":4},229.073893212,"?"]
[1512,"OC(=O)CCCc1c[nH]c2ccccc12","133-32-4","O=C(O)CCCc1c[nH]c2ccccc12","O=C(O)CCCc1c2c([nH]c1)cccc2",{"$nulls":4},203.094628656,"?"]
[1513,"OC(C(O)C(O)=O)C(O)=O","133-37-9","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",{"$nulls":4},150.01643791200001,"?"]
[1514,"OC(O)=C(O)C(=O)C(O)=O","133-38-0","O=C(O)C(=O)C(O)=C(O)O","O=C(O)C(=O)C(O)=C(O)O",{"$nulls":4},148.000787848,"?"]
[1515,"Cc1cc(O)c(Cl)c(C)c1Cl","133-53-9","Cc1cc(O)c(Cl)c(C)c1Cl","Cc1c(c(c(c(c1)O)Cl)C)Cl",{"$nulls":4},189.995220236,"?"]
[1516,"N[S](=O)(=O)c1cc2c(NC(N[S]2(=O)=O)C(Cl)Cl)cc1Cl","133-67-5","NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)C(Cl)Cl)(=O)=O)Cl",{"$nulls":4},378.90218077600025,"?"]
[1517,"Nc1cc(Cl)cc(C(O)=O)c1Cl","133-90-4","Nc1cc(Cl)cc(C(=O)O)c1Cl","Nc1c(c(cc(c1)Cl)C(=O)O)Cl",{"$nulls":4},204.96973376,"?"]
[1518,"OC(=O)c1cc(I)cc(I)c1O","133-91-5","O=C(O)c1cc(I)cc(I)c1O","O=C(O)c1c(c(cc(c1)I)I)O",{"$nulls":4},389.8249899880001,"?"]
[1519,"COC(=O)c1ccccc1N","134-20-3","COC(=O)c1ccccc1N","COC(=O)c1c(cccc1)N",{"$nulls":4},151.063328528,"?"]
[1520,"Nc1cccc2ccccc12","134-32-7","Nc1cccc2ccccc12","Nc1c2c(ccc1)cccc2",{"$nulls":4},143.073499288,"?"]
[1521,"CC(=O)Oc1ccccc1C(=O)Oc2ccccc2","134-55-4","CC(=O)Oc1ccccc1C(=O)Oc1ccccc1","CC(=O)Oc1c(cccc1)C(=O)Oc2ccccc2",{"$nulls":4},256.073558864,"?"]
[1522,"CCc1ccccc1CC","135-01-3","CCc1ccccc1CC","CCc1c(cccc1)CC",{"$nulls":4},134.109550448,"?"]
[1523,"N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1C(F)(F)F","135-09-1","NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)C(F)(F)F",{"$nulls":4},330.9908323960002,"?"]
[1524,"Oc1ccc2ccccc2c1","135-19-3","Oc1ccc2ccccc2c1","Oc1cc2c(cc1)cccc2",{"$nulls":4},144.057514876,"?"]
[1525,"Nc1ccc(cc1)c2ccc(Cl)cc2","135-68-2","Nc1ccc(-c2ccc(Cl)cc2)cc1","Nc1ccc(cc1)-c2ccc(cc2)Cl",{"$nulls":4},203.050177,"?"]
[1526,"CCC(C)c1ccccc1","135-98-8","CCC(C)c1ccccc1","CCC(C)c1ccccc1",{"$nulls":4},134.109550448,"?"]
[1527,"N(N=Nc1ccccc1)c2ccccc2","136-35-6","c1ccc(N=NNc2ccccc2)cc1","c1ccc(cc1)N=NNc2ccccc2",{"$nulls":4},197.095297352,"?"]
[1528,"CCCCOC(=O)c1ccccc1","136-60-7","CCCCOC(=O)c1ccccc1","CCCCOC(=O)c1ccccc1",{"$nulls":4},178.099379688,"?"]
[1529,"CCCCCCc1ccc(O)cc1O","136-77-6","CCCCCCc1ccc(O)cc1O","CCCCCCc1c(cc(cc1)O)O",{"$nulls":4},194.130679816,"?"]
[1530,"CCOc1ccc(cc1N)[N+]([O-])=O","136-79-8","CCOc1ccc([N+](=O)[O-])cc1N","CCOc1c(cc(cc1)[N+](=O)[O-])N",{"$nulls":4},182.06914218,"?"]
[1531,"Cc1cc(C)c(N)cc1C","137-17-7","Cc1cc(C)c(N)cc1C","Cc1c(cc(c(c1)C)N)C",{"$nulls":4},135.104799416,"?"]
[1532,"CCC(C)CO","137-32-6","CCC(C)CO","CCC(C)CO",{"$nulls":4},88.088815004,"?"]
[1533,"[Na+].CCC([O-])=O","137-40-6","CCC(=O)[O-]","CCC(=O)O","[Na+]",{"$nulls":3},96.01872368000001,"Structure has been neutralized"]
[1534,"[Na+].CNC([S-])=S","137-42-8","CNC(=S)[S-]","CNC(=S)S","[Na+]",{"$nulls":3},128.96828540799999,"Structure has been neutralized"]
[1535,"CCN(CC)CC(=O)Nc1c(C)cccc1C","137-58-6","CCN(CC)CC(=O)Nc1c(C)cccc1C","CCN(CC)CC(=O)Nc1c(cccc1C)C",{"$nulls":4},234.173213324,"?"]
[1536,"[H+].[Cl-].NC(CCC(O)=O)C(O)=O","138-15-8","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","[Cl-]","[H+]",null,null,183.02983548,"?"]
[1537,"CCCCOC(=O)C(C)O","138-22-7","CCCCOC(=O)C(C)O","CCCCOC(=O)C(C)O",{"$nulls":4},146.094294308,"?"]
[1538,"NNc1cccc(c1)[S](O)(=O)=O","138-30-7","NNc1cccc(S(=O)(=O)O)c1","NNc1cc(ccc1)S(=O)(=O)O",{"$nulls":4},188.025563116,"?"]
[1539,"NCc1ccc(cc1)[S](N)(=O)=O","138-39-6","NCc1ccc(S(N)(=O)=O)cc1","NCc1ccc(cc1)S(N)(=O)=O",{"$nulls":4},186.04629856,"?"]
[1540,"OC[CH]1O[CH](Oc2ccccc2CO)[CH](O)[CH](O)[CH]1O","138-52-3","OCc1ccccc1OC1OC(CO)C(O)C(O)C1O","OCc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",{"$nulls":4},286.1052529160005,"?"]
[1541,"OC1CC(=CC(O)C1O)C(O)=O","138-59-0","O=C(O)C1=CC(O)C(O)C(O)C1","O=C(O)C=1CC(C(C(C1)O)O)O",{"$nulls":4},174.05282342,"?"]
[1542,"CC(=C)C1CCC(=CC1)C","138-86-3","C=C(C)C1CC=C(C)CC1","C=C(C)C1CCC(=CC1)C",{"$nulls":4},136.125200512,"?"]
[1543,"CC(=C)C1CCC(C)(O)CC1","138-87-4","C=C(C)C1CCC(C)(O)CC1","C=C(C)C1CCC(CC1)(C)O",{"$nulls":4},154.135765196,"?"]
[1544,"OC(=O)CN(CC(O)=O)CC(O)=O","139-13-9","O=C(O)CN(CC(=O)O)CC(=O)O","O=C(O)CN(CC(=O)O)CC(=O)O",{"$nulls":4},191.042987008,"?"]
[1545,"CC(C)Nc1nc(Cl)nc(NC(C)C)n1","139-40-2","CC(C)Nc1nc(Cl)nc(NC(C)C)n1","CC(C)Nc1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},229.10942319199998,"?"]
[1546,"CCC(=O)OCC(COC(=O)CC)OC(=O)CC","139-45-7","CCC(=O)OCC(COC(=O)CC)OC(=O)CC","CCC(=O)OCC(COC(=O)CC)OC(=O)CC",{"$nulls":4},260.1259883600001,"?"]
[1547,"Oc1ccc(C=O)cc1O","139-85-5","O=Cc1ccc(O)c(O)c1","O=Cc1cc(c(cc1)O)O",{"$nulls":4},138.031694052,"?"]
[1548,"NC(Cc1sccc1)C(O)=O","139-86-6","NC(Cc1cccs1)C(=O)O","NC(Cc1sccc1)C(=O)O",{"$nulls":4},171.035399528,"?"]
[1549,"CC[NH+](CCO)CCO","139-87-7","CC[NH+](CCO)CCO","CCN(CCO)CCO",{"$nulls":4},134.118103752,"Structure has been neutralized"]
[1550,"[O-][N+](=O)c1oc(cc1)C=NN2CC(CN3CCOCC3)OC2=O","139-91-3","O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1","O=C1N(CC(O1)CN2CCOCC2)N=Cc3oc(cc3)[N+](=O)[O-]",{"$nulls":4},324.1069842320004,"?"]
[1551,"CCNC(=O)Nc1sc(cn1)[N+]([O-])=O","139-94-6","CCNC(=O)Nc1ncc([N+](=O)[O-])s1","CCNC(=O)Nc1sc(cn1)[N+](=O)[O-]",{"$nulls":4},216.031711116,"?"]
[1552,"OC(=O)C=Cc1ccccc1","140-10-3","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1",{"$nulls":4},148.052429496,"?"]
[1553,"CC(=O)OCc1ccccc1","140-11-4","CC(=O)OCc1ccccc1","CC(=O)OCc1ccccc1",{"$nulls":4},150.06807956,"?"]
[1554,"C(CNCc1ccccc1)NCc2ccccc2","140-28-3","c1ccc(CNCCNCc2ccccc2)cc1","c1ccc(cc1)CNCCNCc2ccccc2",{"$nulls":4},240.16264864,"?"]
[1555,"N#CCc1ccccc1","140-29-4","N#CCc1ccccc1","N#CCc1ccccc1",{"$nulls":4},117.057849224,"?"]
[1556,"[Na+].CN(C)c1ccc(cc1)N=N[S]([O-])(=O)=O","140-56-7","CN(C)c1ccc(N=NS(=O)(=O)[O-])cc1","CN(C)c1ccc(cc1)N=NS(=O)(=O)O","[Na+]",{"$nulls":3},251.03405646,"Structure has been neutralized"]
[1557,"COc1ccc(CC=C)cc1","140-67-0","C=CCc1ccc(OC)cc1","C=CCc1ccc(cc1)OC",{"$nulls":4},148.088815004,"?"]
[1558,"OC(=O)CCC1CCCC1","140-77-2","O=C(O)CCC1CCCC1","O=C(O)CCC1CCCC1",{"$nulls":4},142.099379688,"?"]
[1559,"CCOC(=O)C=C","140-88-5","C=CC(=O)OCC","C=CC(=O)OCC",{"$nulls":4},100.052429496,"?"]
[1560,"CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC","141-02-6","CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC",{"$nulls":4},340.261359632001,"?"]
[1561,"CCCCOC(=O)CCC(=O)OCCCC","141-03-7","CCCCOC(=O)CCC(=O)OCCCC","CCCCOC(=O)CCC(=O)OCCCC",{"$nulls":4},230.151809184,"?"]
[1562,"CCOC(=O)C=CC(=O)OCC","141-05-9","CCOC(=O)C=CC(=O)OCC","CCOC(=O)C=CC(=O)OCC",{"$nulls":4},172.073558864,"?"]
[1563,"CCOC(=O)CCCCC(=O)OCC","141-28-6","CCOC(=O)CCCCC(=O)OCC","CCOC(=O)CCCCC(=O)OCC",{"$nulls":4},202.120509056,"?"]
[1564,"CCCCOC(=O)C=C","141-32-2","C=CC(=O)OCCCC","C=CC(=O)OCCCC",{"$nulls":4},128.083729624,"?"]
[1565,"NCCO","141-43-5","NCCO","NCCO",{"$nulls":4},61.052763844,"?"]
[1566,"[Na+].[O-]C=O","141-53-7","O=C[O-]","O=CO","[Na+]",{"$nulls":3},67.987423552,"Structure has been neutralized"]
[1567,"C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","141-62-8","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C",{"$nulls":4},310.1272009400008,"?"]
[1568,"CO[P](=O)(OC)OC(C)=CC(=O)N(C)C","141-66-2","COP(=O)(OC)OC(C)=CC(=O)N(C)C","COP(=O)(OC)OC(C)=CC(=O)N(C)C",{"$nulls":4},237.07660924200002,"?"]
[1569,"OC(=O)CCI","141-76-4","O=C(O)CCI","O=C(O)CCI",{"$nulls":4},199.9334274,"?"]
[1570,"CCOC(C)=O","141-78-6","CCOC(C)=O","CCOC(C)=O",{"$nulls":4},88.052429496,"?"]
[1571,"CC(C)=CC(C)=O","141-79-7","CC(=O)C=C(C)C","CC(=O)C=C(C)C",{"$nulls":4},98.07316494,"?"]
[1572,"OC(=O)CC(O)=O","141-82-2","O=C(O)CC(=O)O","O=C(O)CC(=O)O",{"$nulls":4},104.01095860800001,"?"]
[1573,"O=C1CSC(=S)N1","141-84-4","O=C1CSC(=S)N1","O=C1NC(SC1)=S",{"$nulls":4},132.965605716,"?"]
[1574,"O=C1NC(=S)NC=C1","141-90-2","O=c1cc[nH]c(=S)[nH]1","O=c1[nH]c([nH]cc1)=S",{"$nulls":4},128.004433748,"?"]
[1575,"CCc1cccc(CC)c1","141-93-5","CCc1cccc(CC)c1","CCc1cc(ccc1)CC",{"$nulls":4},134.109550448,"?"]
[1576,"CCOC(=O)CC(C)=O","141-97-9","CCOC(=O)CC(C)=O","CCOC(=O)CC(C)=O",{"$nulls":4},130.06299418,"?"]
[1577,"O=C1NC=CC=C1","142-08-5","O=c1cccc[nH]1","O=c1[nH]cccc1",{"$nulls":4},95.03711378,"?"]
[1578,"CC(=O)NCCO","142-26-7","CC(=O)NCCO","CC(=O)NCCO",{"$nulls":4},103.063328528,"?"]
[1579,"ClCCCCl","142-28-9","ClCCCCl","ClCCCCl",{"$nulls":4},111.98465555199999,"?"]
[1580,"C1CC=CC1","142-29-0","C1=CCCC1","C=1CCCC1",{"$nulls":4},68.062600256,"?"]
[1581,"NC(=S)NNC(N)=S","142-46-1","NC(=S)NNC(N)=S","NC(=S)NNC(N)=S",{"$nulls":4},150.003388192,"?"]
[1582,"[Na+].NC(CCC(O)=O)C([O-])=O","142-47-2","NC(CCC(=O)O)C(=O)[O-]","NC(CCC(=O)O)C(=O)O","[Na+]",{"$nulls":3},169.035102016,"Structure has been neutralized"]
[1583,"[Na+].[Na+].[S-]C(=S)NCCNC([S-])=S","142-59-6","S=C([S-])NCCNC(=S)[S-]","S=C(S)NCCNC(=S)S","[Na+]","[Na+]",null,null,255.920920752,"Structure has been neutralized"]
[1584,"CCCCCC(O)=O","142-62-1","CCCCCC(=O)O","CCCCCC(=O)O",{"$nulls":4},116.083729624,"?"]
[1585,"[H+].[H+].[Cl-].[Cl-].C1CNCCN1","142-64-3","C1CNCCN1","C1NCCNC1","[Cl-]","[Cl-]","[H+]","[H+]",158.03775374399999,"?"]
[1586,"C1CCOCC1","142-68-7","C1CCOCC1","C1CCOCC1",{"$nulls":4},86.07316494,"?"]
[1587,"OC(=O)CNCC(O)=O","142-73-4","O=C(O)CNCC(=O)O","O=C(O)CNCC(=O)O",{"$nulls":4},133.037507704,"?"]
[1588,"CCCCCCC","142-82-5","CCCCCCC","CCCCCCC",{"$nulls":4},100.12520051199999,"?"]
[1589,"CCCNCCC","142-84-7","CCCNCCC","CCCNCCC",{"$nulls":4},101.12044947999999,"?"]
[1590,"CCCCCCOC(C)=O","142-92-7","CCCCCCOC(C)=O","CCCCCCOC(C)=O",{"$nulls":4},144.115029752,"?"]
[1591,"CCCCOCCCC","142-96-1","CCCCOCCCC","CCCCOCCCC",{"$nulls":4},130.135765196,"?"]
[1592,"CCCCCCCCCCCC(O)=O","143-07-7","CCCCCCCCCCCC(=O)O","CCCCCCCCCCCC(=O)O",{"$nulls":4},200.177630008,"?"]
[1593,"CCCCCCCCCO","143-08-8","CCCCCCCCCO","CCCCCCCCCO",{"$nulls":4},144.15141526,"?"]
[1594,"CCCCCCNCCCCCC","143-16-8","CCCCCCNCCCCCC","CCCCCCNCCCCCC",{"$nulls":4},185.21434986399998,"?"]
[1595,"CCCCOCCOCCOCCO","143-22-6","CCCCOCCOCCOCCO","CCCCOCCOCCOCCO",{"$nulls":4},206.151809184,"?"]
[1596,"ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(=O)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","143-50-0","O=C1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","O=C1C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},485.68344141999995,"?"]
[1597,"[Na+].CCC(C)C1(CC)C(=O)NC(=O)[N-]C1=O","143-81-7","CCC(C)C1(CC)C(=O)[N-]C(=O)NC1=O","CCC(C)C1(C(NC(NC1=O)=O)=O)CC","[Na+]",{"$nulls":3},234.09803662,"Structure has been neutralized"]
[1598,"OC(=O)CC1(CC(O)=O)OCOC1=O","144-16-1","O=C(O)CC1(CC(=O)O)OCOC1=O","O=C(O)CC1(C(OCO1)=O)CC(=O)O",{"$nulls":4},204.02700259600002,"?"]
[1599,"CC(C)C(O)C(C)(C)CO","144-19-4","CC(C)C(O)C(C)(C)CO","CC(C)C(O)C(C)(C)CO",{"$nulls":4},146.130679816,"?"]
[1600,"[Na+].[Na+].C[As]([O-])([O-])=O","144-21-8","C[As](=O)([O-])[O-]","C[As](=O)(O)O","[Na+]","[Na+]",null,null,183.909354016,"Structure has been neutralized"]
[1601,"OC(=O)CF","144-49-0","O=C(O)CF","O=C(O)CF",{"$nulls":4},78.011707556,"?"]
[1602,"OC(=O)C(O)=O","144-62-7","O=C(O)C(=O)O","O=C(O)C(=O)O",{"$nulls":4},89.995308544,"?"]
[1603,"CC(=O)N[S](=O)(=O)c1ccc(N)cc1","144-80-9","CC(=O)NS(=O)(=O)c1ccc(N)cc1","CC(=O)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},214.04121318,"?"]
[1604,"Cc1sc(N[S](=O)(=O)c2ccc(N)cc2)nn1","144-82-1","Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},270.0245175600003,"?"]
[1605,"Nc1ccc(cc1)[S](=O)(=O)Nc2ccccn2","144-83-2","Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2",{"$nulls":4},249.057197592,"?"]
[1606,"CC(O)C(N)C(O)=O","144-98-9","CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O",{"$nulls":4},119.058243148,"?"]
[1607,"CC(=O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C","145-13-1","CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C","CC(=O)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C",{"$nulls":4},316.2402302640009,"?"]
[1608,"[Na+].[Na+].[O-]C(=O)C1C2CCC(O2)C1C([O-])=O","145-73-3","O=C([O-])C1C2CCC(O2)C1C(=O)[O-]","O=C(O)C1C(C2CCC1O2)C(=O)O","[Na+]","[Na+]",null,null,230.01671191600002,"Structure has been neutralized"]
[1609,"O[CH]([CH](O)C(O)=O)C(O)=O","147-71-7","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",{"$nulls":4},150.01643791200001,"?"]
[1610,"OC(C(O)C(O)=O)C(O)=O","147-73-9","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",{"$nulls":4},150.01643791200001,"?"]
[1611,"OC1COC(O)C(O)C1O","147-81-9","OC1COC(O)C(O)C1O","OC1C(C(C(OC1)O)O)O",{"$nulls":4},150.05282342,"?"]
[1612,"OC(=O)C1CCCN1","147-85-3","O=C(O)C1CCCN1","O=C(O)C1NCCC1",{"$nulls":4},115.063328528,"?"]
[1613,"Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(N)=O","148-01-6","Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1C(N)=O)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},225.038570324,"?"]
[1614,"Oc1cccc2cccnc12","148-24-3","Oc1cccc2cccnc12","Oc1c2c(ccc1)cccn2",{"$nulls":4},145.052763844,"?"]
[1615,"N[S](=O)(=O)c1cc2c(NC=N[S]2(=O)=O)cc1C(F)(F)F","148-56-1","NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC=NS2(=O)=O","NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)C(F)(F)F",{"$nulls":4},328.97518233200014,"?"]
[1616,"CN(C)CCN(Cc1sc(Cl)cc1)c2ccccn2.OC(=O)CC(O)(CC(O)=O)C(O)=O","148-65-2","CN(C)CCN(Cc1ccc(Cl)s1)c1ccccn1","CN(C)CCN(Cc1sc(cc1)Cl)c2ncccc2","OC(=O)CC(O)(CC(O)=O)C(O)=O",{"$nulls":3},487.1179988520006,"?"]
[1617,"[nH]1c2ccccc2nc1c3cscn3","148-79-8","c1ccc2[nH]c(-c3cscn3)nc2c1","c1cc2c(cc1)[nH]c(-c3ncsc3)n2",{"$nulls":4},201.036068224,"?"]
[1618,"O[S](=O)(=O)OCCOc1ccc(Cl)cc1Cl","149-26-8","O=S(=O)(O)OCCOc1ccc(Cl)cc1Cl","O=S(=O)(O)OCCOc1c(cc(cc1)Cl)Cl",{"$nulls":4},285.94694971600023,"?"]
[1619,"S=C1Nc2ccccc2S1","149-30-4","S=c1[nH]c2ccccc2s1","S=c1sc2c([nH]1)cccc2",{"$nulls":4},166.98634116,"?"]
[1620,"OCC(O)C(O)CO","149-32-6","OCC(O)C(O)CO","OCC(O)C(O)CO",{"$nulls":4},122.0579088,"?"]
[1621,"CCCCC(CC)C(O)=O","149-57-5","CCCCC(CC)C(=O)O","CCCCC(CC)C(=O)O",{"$nulls":4},144.115029752,"?"]
[1622,"OC(=O)c1cc(O)c(O)c(O)c1","149-91-7","O=C(O)c1cc(O)c(O)c(O)c1","O=C(O)c1cc(c(c(c1)O)O)O",{"$nulls":4},170.021523292,"?"]
[1623,"Nc1ccc(cc1)C(O)=O","150-13-0","Nc1ccc(C(=O)O)cc1","Nc1ccc(cc1)C(=O)O",{"$nulls":4},137.047678464,"?"]
[1624,"COc1cccc(O)c1","150-19-6","COc1cccc(O)c1","COc1cc(ccc1)O",{"$nulls":4},124.052429496,"?"]
[1625,"NC(Cc1ccccc1)C(O)=O","150-30-1","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",{"$nulls":4},165.078978592,"?"]
[1626,"CN(C)C(=O)Nc1ccc(Cl)cc1","150-68-5","CN(C)C(=O)Nc1ccc(Cl)cc1","CN(C)C(=O)Nc1ccc(cc1)Cl",{"$nulls":4},198.055990652,"?"]
[1627,"CCOc1ccc(NC(N)=O)cc1","150-69-6","CCOc1ccc(NC(N)=O)cc1","CCOc1ccc(cc1)NC(N)=O",{"$nulls":4},180.089877624,"?"]
[1628,"COc1ccc(O)cc1","150-76-5","COc1ccc(O)cc1","COc1ccc(cc1)O",{"$nulls":4},124.052429496,"?"]
[1629,"[Na+].[Na+].[O-]C(=O)CCC([O-])=O","150-90-3","O=C([O-])CCC(=O)[O-]","O=C(O)CCC(=O)O","[Na+]","[Na+]",null,null,161.99049716800002,"Structure has been neutralized"]
[1630,"[K+].[C-]#N","151-50-8","[K+]","[K+]","[C-]#N",{"$nulls":3},64.96678068,"?"]
[1631,"C1CN1","151-56-4","C1CN1","C1NC1",{"$nulls":4},43.042199159999996,"?"]
[1632,"FC(F)(F)C(Cl)Br","151-67-7","FC(F)(F)C(Cl)Br","FC(F)(F)C(Cl)Br",{"$nulls":4},195.890224472,"?"]
[1633,"CN(C)[P](=O)(O[P](=O)(N(C)C)N(C)C)N(C)C","152-16-9","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C",{"$nulls":4},286.13236388800067,"?"]
[1634,"NC1=NC(=O)C(=C(N)N1)O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O","152-93-2","Nc1nc(=O)c(OC2OC(CO)C(O)C(O)C2O)c(N)[nH]1","Nc1[nH]c(c(c(n1)=O)OC2C(C(C(C(O2)CO)O)O)O)N",{"$nulls":4},304.10189885200043,"?"]
[1635,"C[CH]1C[CH]2[CH]3C[CH](F)C4=CC(=O)C=C[C]4(C)[CH]3[CH](O)C[C]2(C)[CH]1C(=O)CO","152-97-6","CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)C(O)C2)C)C(=O)CO",{"$nulls":4},376.20498762800077,"?"]
[1636,"ClCCNC(=O)N(CCCl)N=O","154-93-8","O=NN(CCCl)C(=O)NCCCl","O=NN(CCCl)C(=O)NCCCl",{"$nulls":4},213.007181888,"?"]
[1637,"OC(=O)Cc1ccc(O)cc1","156-38-7","O=C(O)Cc1ccc(O)cc1","O=C(O)Cc1ccc(cc1)O",{"$nulls":4},152.047344116,"?"]
[1638,"ClC=CCl","156-59-2","ClC=CCl","ClC=CCl",{"$nulls":4},95.953355424,"?"]
[1639,"ClC=CCl","156-60-5","ClC=CCl","ClC=CCl",{"$nulls":4},95.953355424,"?"]
[1640,"C1COC2(C1)CCCO2","176-25-0","C1COC2(C1)CCCO2","C1CC2(OC1)OCCC2",{"$nulls":4},128.083729624,"?"]
[1641,"c1cc2ccc3ccc4ccc5ccc6ccc1c7c2c3c4c5c67","191-07-1","c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61","c1c2ccc3ccc4ccc5ccc6ccc(c1)c7c2c3c4c5c67",{"$nulls":4},300.09390038400034,"?"]
[1642,"c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56","191-24-2","c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56","c1cc2c3cccc4ccc5ccc6ccc(c1)c2c6c5c43",{"$nulls":4},276.09390038400034,"?"]
[1643,"c1ccc2c(c1)c3cccc4ccc5cccc2c5c34","192-97-2","c1ccc2c(c1)c1cccc3ccc4cccc2c4c31","c1cc2c(cc1)c3cccc4ccc5cccc2c5c43",{"$nulls":4},252.093900384,"?"]
[1644,"c1ccc2c(c1)c3ccc4ccc5cccc6cc2c3c4c56","193-39-5","c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45","c1cc-2c(cc1)-c3cc4cccc5ccc6ccc2c3c6c54",{"$nulls":4},276.09390038400034,"?"]
[1645,"[nH]1c2ccc3ccccc3c2c4c1ccc5ccccc45","194-59-2","c1ccc2c(c1)ccc1[nH]c3ccc4ccccc4c3c12","c1cc2c(cc1)c3c(cc2)[nH]c4c3c5c(cc4)cccc5",{"$nulls":4},267.10479941600033,"?"]
[1646,"c1ccc2c(c1)ccc3ccc4ccccc4c23","195-19-7","c1ccc2c(c1)ccc1ccc3ccccc3c12","c1cc2c(cc1)c3c(cc2)ccc4c3cccc4",{"$nulls":4},228.093900384,"?"]
[1647,"c1cc2cccc3c4cccc5cccc(c(c1)c23)c45","198-55-0","c1cc2cccc3c4cccc5cccc(c(c1)c23)c54","c1cc2c3cccc4cccc(c5cccc(c1)c52)c43",{"$nulls":4},252.093900384,"?"]
[1648,"c1ccc2c(c1)ccc3c2cc4cccc5c6ccccc6c3c45","203-20-3","c1ccc2c(c1)-c1cccc3cc4c(ccc5ccccc54)c-2c13","c1cc-2c(cc1)-c3c4c(cc5cccc2c53)c6c(cc4)cccc6",{"$nulls":4},302.1095504480004,"?"]
[1649,"C1c2cccc3ccc4cccc1c4c23","203-64-5","c1cc2c3c(c1)ccc1cccc(c13)C2","c1cc2c3c(c1)Cc4cccc(cc2)c34",{"$nulls":4},190.07825032,"?"]
[1650,"c1ccc2c(c1)ccc3c4cccc5cccc(c45)c23","205-82-3","c1ccc2c3c(ccc2c1)-c1cccc2cccc-3c12","c1cc2c(cc1)c3-c4cccc5cccc(-c3cc2)c54",{"$nulls":4},252.093900384,"?"]
[1651,"c1ccc2c(c1)cc3c4ccccc4c5cccc2c35","205-99-2","c1ccc2c(c1)-c1cccc3c1c-2cc1ccccc13","c1cc-2c(cc1)-c3c4c2cccc4c5c(c3)cccc5",{"$nulls":4},252.093900384,"?"]
[1652,"c1ccc2c(c1)c3cccc4cccc2c34","206-44-0","c1ccc2c(c1)-c1cccc3cccc-2c13","c1cc-2c(cc1)-c3cccc4cccc2c43",{"$nulls":4},202.07825032,"?"]
[1653,"c1ccc2cc3c4cccc5cccc(c3cc2c1)c45","207-08-9","c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12","c1cc2c(cc1)cc3-c4cccc5cccc(-c3c2)c54",{"$nulls":4},252.093900384,"?"]
[1654,"c1cc2cccc3C=Cc(c1)c23","208-96-8","C1=Cc2cccc3cccc1c23","C=1c2cccc3cccc(C1)c32",{"$nulls":4},152.062600256,"?"]
[1655,"c1ccc2c(c1)ccc3c2ccc4c5ccccc5ccc34","213-46-7","c1ccc2c(c1)ccc1c2ccc2c3ccccc3ccc21","c1cc2c(cc1)c3c(cc2)c4c(cc3)c5c(cccc5)cc4",{"$nulls":4},278.1095504480004,"?"]
[1656,"c1ccc2cc3c4ccccc4c5ccccc5c3cc2c1","215-58-7","c1ccc2cc3c4ccccc4c4ccccc4c3cc2c1","c1cc2c(cc1)cc3c(c4c(c5c3cccc5)cccc4)c2",{"$nulls":4},278.1095504480004,"?"]
[1657,"c1ccc2c(c1)c3ccccc3c4ccccc24","217-59-4","c1ccc2c(c1)c1ccccc1c1ccccc21","c1cc2c(cc1)c3c(c4c2cccc4)cccc3",{"$nulls":4},228.093900384,"?"]
[1658,"c1ccc2c(c1)ccc3c4ccccc4ccc23","218-01-9","c1ccc2c(c1)ccc1c3ccccc3ccc21","c1cc2c(cc1)c3c(cc2)c4c(cccc4)cc3",{"$nulls":4},228.093900384,"?"]
[1659,"c1ccc2c(c1)ccc3cc4ccc5ccccc5c4cc23","224-41-9","c1ccc2c(c1)ccc1cc3ccc4ccccc4c3cc12","c1cc2c(cc1)c3c(cc2)cc4c(c5c(cc4)cccc5)c3",{"$nulls":4},278.1095504480004,"?"]
[1660,"N1c2c(Sc3ccc4ccccc4c13)ccc5ccccc25","224-62-4","c1ccc2c3c(ccc2c1)Sc1ccc2ccccc2c1N3","c1cc2c(cc1)c3Nc4c(Sc3cc2)ccc5c4cccc5",{"$nulls":4},299.07687041600036,"?"]
[1661,"N1c2ccc3ccccc3c2Sc4c1ccc5ccccc45","224-72-6","c1ccc2c3c(ccc2c1)Nc1ccc2ccccc2c1S3","c1cc2c(cc1)c3Sc4c(Nc3cc2)ccc5c4cccc5",{"$nulls":4},299.07687041600036,"?"]
[1662,"N1c2ccccc2Sc3ccc4ccccc4c13","225-83-2","c1ccc2c(c1)Nc1c(ccc3ccccc13)S2","c1cc2c(cc1)Sc3c(N2)c4c(cc3)cccc4",{"$nulls":4},249.061220352,"?"]
[1663,"N1c2ccccc2Sc3c1ccc4ccccc34","226-06-2","c1ccc2c(c1)Nc1ccc3ccccc3c1S2","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4",{"$nulls":4},249.061220352,"?"]
[1664,"c1ccc2c(c1)ccc3nc4c(ccc5ccccc45)cc23","226-36-8","c1ccc2c(c1)ccc1nc3c(ccc4ccccc43)cc12","c1cc2c(cc1)c3c(cc2)nc4c5c(ccc4c3)cccc5",{"$nulls":4},279.10479941600033,"?"]
[1665,"c1ccc2c(c1)cnc3ccccc23","229-87-8","c1ccc2c(c1)cnc1ccccc12","c1cc2c(cc1)c3c(nc2)cccc3",{"$nulls":4},179.073499288,"?"]
[1666,"c1cnc2c(c1)ccc3ncccc23","230-46-6","c1cnc2c(c1)ccc1ncccc12","c1cc2c(nc1)c3c(cc2)nccc3",{"$nulls":4},180.068748256,"?"]
[1667,"C1c2ccccc2c3ccc4ccccc4c13","238-84-6","c1ccc2c(c1)Cc1c-2ccc2ccccc12","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4",{"$nulls":4},216.093900384,"?"]
[1668,"[nH]1c2c3ccccc3ccc2c4ccc5ccccc5c14","239-64-5","c1ccc2c(c1)ccc1c3ccc4ccccc4c3[nH]c21","c1cc2c(cc1)c3c(cc2)c4c(c5c(cc4)cccc5)[nH]3",{"$nulls":4},267.10479941600033,"?"]
[1669,"C1c2ccccc2c3cc4ccccc4cc13","243-17-4","c1ccc2c(c1)Cc1cc3ccccc3cc1-2","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3",{"$nulls":4},216.093900384,"?"]
[1670,"c1ccc2cnncc2c1","253-52-1","c1ccc2cnncc2c1","c1cc2c(cc1)cnnc2",{"$nulls":4},130.053098192,"?"]
[1671,"c1ccc2nc3ccccc3cc2c1","260-94-6","c1ccc2nc3ccccc3cc2c1","c1cc2c(cc1)nc3c(cccc3)c2",{"$nulls":4},179.073499288,"?"]
[1672,"O1c2ccccc2Oc3ccccc13","262-12-4","c1ccc2c(c1)Oc1ccccc1O2","c1cc2c(cc1)Oc3c(O2)cccc3",{"$nulls":4},184.052429496,"?"]
[1673,"[nH]1ncc2ccccc12","271-44-3","c1ccc2[nH]ncc2c1","c1cc2c(cc1)[nH]nc2",{"$nulls":4},118.053098192,"?"]
[1674,"[nH]1nc2cncnc2n1","273-40-5","c1ncc2n[nH]nc2n1","c1nc2c(cn1)n[nH]n2",{"$nulls":4},121.03884509599999,"?"]
[1675,"o1cnc2ccccc12","273-53-0","c1ccc2ocnc2c1","c1cc2c(cc1)ocn2",{"$nulls":4},119.03711378,"?"]
[1676,"C1CN2CCN1CC2","280-57-9","C1CN2CCN1CC2","C1N2CCN(C1)CC2",{"$nulls":4},112.10004838399999,"?"]
[1677,"C1CCCC1","287-92-3","C1CCCC1","C1CCCC1",{"$nulls":4},70.07825032,"?"]
[1678,"[nH]1cccn1","288-13-1","c1cn[nH]c1","c1c[nH]nc1",{"$nulls":4},68.037448128,"?"]
[1679,"o1cccn1","288-14-2","c1cnoc1","c1conc1",{"$nulls":4},69.021463716,"?"]
[1680,"s1ccnn1","288-48-2","c1csnn1","c1nnsc1",{"$nulls":4},85.993869064,"?"]
[1681,"c1ccnnc1","289-80-5","c1ccnnc1","c1cnncc1",{"$nulls":4},80.037448128,"?"]
[1682,"c1cncnc1","289-95-2","c1cncnc1","c1cncnc1",{"$nulls":4},80.037448128,"?"]
[1683,"C1CCCCCC1","291-64-5","C1CCCCCC1","C1CCCCCC1",{"$nulls":4},98.109550448,"?"]
[1684,"C1CCCCCCC1","292-64-8","C1CCCCCCC1","C1CCCCCCC1",{"$nulls":4},112.12520051199999,"?"]
[1685,"CCO[P](=S)(OCC)Oc1cnccn1","297-97-2","CCOP(=S)(OCC)Oc1cnccn1","CCOP(=S)(OCC)Oc1nccnc1",{"$nulls":4},248.03844990599998,"?"]
[1686,"CCN(CC)C(=O)C(Cl)=C(C)O[P](=O)(OC)OC","297-99-4","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC",{"$nulls":4},299.0689370180005,"?"]
[1687,"CO[P](=S)(OC)Oc1ccc(cc1)[N+]([O-])=O","298-00-0","COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1","COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},263.00173005000016,"?"]
[1688,"COC(=O)C=C(C)O[P](=O)(OC)OC","298-01-1","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",{"$nulls":4},224.044974766,"?"]
[1689,"CCO[P](=S)(OCC)SCSCC","298-02-2","CCOP(=S)(OCC)SCSCC","CCOP(=S)(OCC)SCSCC",{"$nulls":4},260.01282941400007,"?"]
[1690,"CCO[P](=S)(OCC)OCCSCC","298-03-3","CCOP(=S)(OCC)OCCSCC","CCOP(=S)(OCC)OCCSCC",{"$nulls":4},258.05132309800007,"?"]
[1691,"CCO[P](=S)(OCC)SCCSCC","298-04-4","CCOP(=S)(OCC)SCCSCC","CCOP(=S)(OCC)SCCSCC",{"$nulls":4},274.02847947800046,"?"]
[1692,"C1OC1C2CO2","298-18-0","C1OC1C1CO1","C1C(O1)C2OC2",{"$nulls":4},86.036779432,"?"]
[1693,"NC(=O)N1c2ccccc2C=Cc3ccccc13","298-46-4","NC(=O)N1c2ccccc2C=Cc2ccccc21","NC(=O)N1c2c(C=Cc3c1cccc3)cccc2",{"$nulls":4},236.094963004,"?"]
[1694,"C1CN(CCN1CC=Cc2ccccc2)C(c3ccccc3)c4ccccc4","298-57-7","C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1","C(=Cc1ccccc1)CN2CCN(CC2)C(c3ccccc3)c4ccccc4",{"$nulls":4},368.2252488960008,"?"]
[1695,"COc1c2occc2cc3C=CC(=O)Oc13","298-81-7","COc1c2occc2cc2ccc(=O)oc12","COc1c2c(cc3c1occ3)ccc(=O)o2",{"$nulls":4},216.042258736,"?"]
[1696,"O[S](O)(=O)=O.C1CCN2CC3CC(CN4CCCCC34)C2C1","299-39-8","C1CCN2CC3CC(CN4CCCCC34)C2C1","C1CC2N(CC1)CC3C4N(CC2C3)CCCC4","OS(O)(=O)=O",{"$nulls":3},332.17697837599997,"?"]
[1697,"CN[CH](C)[CH](O)c1ccccc1","299-42-3","CNC(C)C(O)c1ccccc1","CNC(C)C(O)c1ccccc1",{"$nulls":4},165.1153641,"?"]
[1698,"CO[P](=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl","299-84-3","COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},319.89973478600024,"?"]
[1699,"CO[P](=S)(NC(C)C)Oc1ccc(Cl)cc1Cl","299-85-4","COP(=S)(NC(C)C)Oc1ccc(Cl)cc1Cl","COP(=S)(NC(C)C)Oc1c(cc(cc1)Cl)Cl",{"$nulls":4},312.9859916780004,"?"]
[1700,"CN[P](=O)(OC)Oc1ccc(cc1Cl)C(C)(C)C","299-86-5","CNP(=O)(OC)Oc1ccc(C(C)(C)C)cc1Cl","CNP(=O)(OC)Oc1c(cc(cc1)C(C)(C)C)Cl",{"$nulls":4},291.07910777800055,"?"]
[1701,"OCC[NH2+]CCO.[O-]C(=O)CN1C=C(I)C(=O)C(=C1)I","300-37-8","O=C([O-])Cn1cc(I)c(=O)c(I)c1","O=C(O)Cn1cc(c(c(c1)I)=O)I","OCC[NH2+]CCO",{"$nulls":3},509.9148676120001,"Structure has been neutralized"]
[1702,"N[CH](Cc1cc(Br)c(O)c(Br)c1)C(O)=O","300-38-9","NC(Cc1cc(Br)c(O)c(Br)c1)C(=O)O","NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O",{"$nulls":4},336.8949173480002,"?"]
[1703,"N[CH](Cc1cc(I)c(O)c(I)c1)C(O)=O","300-39-0","NC(Cc1cc(I)c(O)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O",{"$nulls":4},432.8671891480002,"?"]
[1704,"CO[P](=O)(OC)OC(Br)C(Cl)(Cl)Br","300-76-5","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br",{"$nulls":4},377.78257489400016,"?"]
[1705,"CC[S](=O)CCS[P](=O)(OC)OC","301-12-2","CCS(=O)CCSP(=O)(OC)OC","CCS(=O)CCSP(=O)(OC)OC",{"$nulls":4},246.01493759,"?"]
[1706,"NN","302-01-2","NN","NN",{"$nulls":4},32.037448128,"?"]
[1707,"OC(O)C(Cl)(Cl)Cl","302-17-0","OC(O)C(Cl)(Cl)Cl","OC(O)C(Cl)(Cl)Cl",{"$nulls":4},163.919862376,"?"]
[1708,"CCN1C[C]2(COC)[CH](O)C[CH](OC)[C]34[CH]5C[C]6(O)[CH](OC)[CH](O)[C](OC(C)=O)([CH]([CH](OC)[CH]23)C14)[CH]5[CH]6OC(=O)c7ccccc7","302-27-2","CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14","CCN1C2C34C(CC(C(C1)(C3C(C2C5(C(C(C6(CC4C5C6OC(=O)c7ccccc7)O)OC)O)OC(C)=O)OC)COC)O)OC",{"$nulls":4},645.3149113240012,"?"]
[1709,"CCC(C)(OC(N)=O)C#C","302-66-9","C#CC(C)(CC)OC(N)=O","C#CC(C)(CC)OC(N)=O",{"$nulls":4},141.078978592,"?"]
[1710,"CC(N)C(O)=O","302-72-7","CC(N)C(=O)O","CC(N)C(=O)O",{"$nulls":4},89.047678464,"?"]
[1711,"NC(CO)C(O)=O","302-84-1","NC(CO)C(=O)O","NC(CO)C(=O)O",{"$nulls":4},105.042593084,"?"]
[1712,"OC(=O)c1c(O)cccc1O","303-07-1","O=C(O)c1c(O)cccc1O","O=C(O)c1c(cccc1O)O",{"$nulls":4},154.026608672,"?"]
[1713,"[Na+].[K+].O[CH]([CH](O)C([O-])=O)C([O-])=O","304-59-6","O=C([O-])C(O)C(O)C(=O)[O-]","O=C(O)C(O)C(O)C(=O)O","[K+]","[Na+]",null,null,209.954263808,"Structure has been neutralized"]
[1714,"OC(Cc1ccc(O)cc1)C(O)=O","306-23-0","O=C(O)C(O)Cc1ccc(O)cc1","O=C(O)C(O)Cc1ccc(cc1)O",{"$nulls":4},182.0579088,"?"]
[1715,"FC(F)(F)C(Cl)Cl","306-83-2","FC(F)(F)C(Cl)Cl","FC(F)(F)C(Cl)Cl",{"$nulls":4},151.940740052,"?"]
[1716,"ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl","309-00-2","ClC1=C(Cl)C2(Cl)C3C4C=CC(C4)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4CC3C=C4)Cl",{"$nulls":4},361.8757163360002,"?"]
[1717,"CCO[P](=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O","311-45-5","CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1","CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},275.0558737980004,"?"]
[1718,"CCO[P](=O)(OCC)OC=CCl","311-47-7","CCOP(=O)(OC=CCl)OCC","CCOP(=O)(OC=CCl)OCC",{"$nulls":4},214.016173174,"?"]
[1719,"NC(CO)C(O)=O","312-84-5","NC(CO)C(=O)O","NC(CO)C(=O)O",{"$nulls":4},105.042593084,"?"]
[1720,"CCC(C)N1C(=O)NC(=C(Br)C1=O)C","314-40-9","CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O","CCC(C)n1c(c(c([nH]c1=O)C)Br)=O",{"$nulls":4},260.0160397560001,"?"]
[1721,"CC(C)N1C(=O)NC(=C(Br)C1=O)C","314-42-1","Cc1[nH]c(=O)n(C(C)C)c(=O)c1Br","Cc1c(c(n(c([nH]1)=O)C(C)C)=O)Br",{"$nulls":4},246.000389692,"?"]
[1722,"CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1","315-18-4","CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1","CNC(=O)Oc1cc(c(c(c1)C)N(C)C)C",{"$nulls":4},222.136827816,"?"]
[1723,"O=C1N=CN=C2NNC=C12","315-30-0","O=c1ncnc2[nH][nH]cc1-2","O=c1c2-c(ncn1)[nH][nH]c2",{"$nulls":4},136.038510748,"?"]
[1724,"CCC(C)C(N)C(O)=O","319-78-8","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[1725,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","319-84-6","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},287.86006627200015,"?"]
[1726,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","319-85-7","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},287.86006627200015,"?"]
[1727,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","319-86-8","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},287.86006627200015,"?"]
[1728,"OC(=O)c1cc(Cl)ccc1O","321-14-2","O=C(O)c1cc(Cl)ccc1O","O=C(O)c1c(ccc(c1)Cl)O",{"$nulls":4},171.9927217,"?"]
[1729,"Fc1cccc2ccccc12","321-38-0","Fc1cccc2ccccc12","Fc1c2c(ccc1)cccc2",{"$nulls":4},146.053178444,"?"]
[1730,null,"326-65-8",{"$nulls":7},""]
[1731,null,"326-67-0",{"$nulls":7},""]
[1732,"Fc1cc(F)c(F)cc1F","327-54-8","Fc1cc(F)c(F)cc1F","Fc1c(cc(c(c1)F)F)F",{"$nulls":4},150.009262944,"?"]
[1733,"CCCC[CH](N)C(O)=O","327-57-1","CCCCC(N)C(=O)O","CCCCC(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[1734,"O[CH]1C[C](O)(C[CH](OC(=O)C=Cc2ccc(O)c(O)c2)[CH]1O)C(O)=O","327-97-9","O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O","O=C(C=Cc1cc(c(cc1)O)O)OC2C(C(CC(C2)(O)C(=O)O)O)O",{"$nulls":4},354.09508215600044,"?"]
[1735,"CCO[P](=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl","327-98-0","CCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl","CCOP(=S)(CC)Oc1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},331.9361202940003,"?"]
[1736,"CC(C)CC(N)C(O)=O","328-39-2","CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[1737,"Oc1cc(ccc1[N+]([O-])=O)[N+]([O-])=O","329-71-5","O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1","O=[N+]([O-])c1cc(c(cc1)[N+](=O)[O-])O",{"$nulls":4},184.012021228,"?"]
[1738,"C[P](F)(=O)OC1CCCCC1","329-99-7","CP(=O)(F)OC1CCCCC1","CP(=O)(F)OC1CCCCC1",{"$nulls":4},180.071544538,"?"]
[1739,"CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1","330-54-1","CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CN(C)C(=O)Nc1cc(c(cc1)Cl)Cl",{"$nulls":4},232.0170183,"?"]
[1740,"CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1","330-55-2","CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CON(C)C(=O)Nc1cc(c(cc1)Cl)Cl",{"$nulls":4},248.01193292,"?"]
[1741,"CCO[P](=S)(OCC)Oc1cc(C)nc(n1)C(C)C","333-41-5","CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1","CCOP(=S)(OCC)Oc1nc(nc(c1)C)C(C)C",{"$nulls":4},304.10105016200055,"?"]
[1742,"CCCCCCCCCC(O)=O","334-48-5","CCCCCCCCCC(=O)O","CCCCCCCCCC(=O)O",{"$nulls":4},172.14632988,"?"]
[1743,"CC(N)C(O)=O","338-69-2","CC(N)C(=O)O","CC(N)C(=O)O",{"$nulls":4},89.047678464,"?"]
[1744,"CCCCNC(=O)N[S](=O)(=O)c1ccc(N)cc1","339-43-5","CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},271.0990624040004,"?"]
[1745,"Fc1ccccc1CCl","345-35-7","Fc1ccccc1CCl","Fc1c(cccc1)CCl",{"$nulls":4},144.014206092,"?"]
[1746,"Fc1ccccc1Cl","348-51-6","Fc1ccccc1Cl","Fc1c(cccc1)Cl",{"$nulls":4},129.998556028,"?"]
[1747,"Fc1ccc(CCl)cc1","352-11-4","Fc1ccc(CCl)cc1","Fc1ccc(cc1)CCl",{"$nulls":4},144.014206092,"?"]
[1748,"Fc1ccc(I)cc1","352-34-1","Fc1ccc(I)cc1","Fc1ccc(cc1)I",{"$nulls":4},221.934176348,"?"]
[1749,"CCSCC","352-93-2","CCSCC","CCSCC",{"$nulls":4},90.05032132,"?"]
[1750,null,"352-97-6",{"$nulls":7},""]
[1751,"CCF","353-36-6","CCF","CCF",{"$nulls":4},48.03752838,"?"]
[1752,"COc1cc2N3C4[CH]5C(CC3=O)OCC=C6CN7CC[C]4([CH]7C[CH]56)c2cc1OC","357-57-3","COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43","COc1c(cc2c(c1)N3C(CC4OCC=C5CN6CCC27C3C4C5CC76)=O)OC",{"$nulls":4},394.18925731200073,"?"]
[1753,"CC(CCCNCC(O)=O)C1CCC2C3CC[CH]4C[CH](O)CC[C]4(C)C3C[CH](O)[C]12C","360-65-6","CC(CCCNCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCCNCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C",{"$nulls":4},435.33485892000124,"?"]
[1754,null,"363-67-7",{"$nulls":7},""]
[1755,"[H+].[Cl-].CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC","364-62-5","CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC","CCN(CC)CCNC(=O)c1c(cc(c(c1)Cl)N)OC","[Cl-]","[H+]",null,null,335.1167323360006,"?"]
[1756,"c1ccc(nc1)c2ccccn2","366-18-7","c1ccc(-c2ccccn2)nc1","c1cnc(cc1)-c2ncccc2",{"$nulls":4},156.068748256,"?"]
[1757,"Fc1ccccc1F","367-11-3","Fc1ccccc1F","Fc1c(cccc1)F",{"$nulls":4},114.028106568,"?"]
[1758,"Cn1cncc1C[CH](N)C(O)=O","368-16-1","Cn1cncc1CC(N)C(=O)O","Cn1c(cnc1)CC(N)C(=O)O",{"$nulls":4},169.085126592,"?"]
[1759,"F[P-](F)(F)(F)(F)F.N#[N+]c1ccccc1","369-58-4","F[P-](F)(F)(F)(F)F","F[P-](F)(F)(F)(F)F","N#[N+]c1ccccc1",{"$nulls":3},250.00945411,"?"]
[1760,"OCCF","371-62-0","OCCF","OCCF",{"$nulls":4},64.032443,"?"]
[1761,"CC(C)N[P](F)(=O)NC(C)C","371-86-8","CC(C)NP(=O)(F)NC(C)C","CC(C)NP(=O)(F)NC(C)C",{"$nulls":4},182.098427982,"?"]
[1762,"Fc1cccc(F)c1","372-18-9","Fc1cccc(F)c1","Fc1cc(ccc1)F",{"$nulls":4},114.028106568,"?"]
[1763,"CCOC(=O)CC(=O)C(F)(F)F","372-31-6","CCOC(=O)CC(=O)C(F)(F)F","CCOC(=O)CC(=O)C(F)(F)F",{"$nulls":4},184.034728744,"?"]
[1764,"CC(O)C(F)(F)F","374-01-6","CC(O)C(F)(F)F","CC(O)C(F)(F)F",{"$nulls":4},114.02924944,"?"]
[1765,"FC(F)(F)C(F)(Cl)Cl","374-07-2","FC(F)(F)C(F)(Cl)Cl","FC(F)(F)C(F)(Cl)Cl",{"$nulls":4},169.93131824,"?"]
[1766,"C[CH]1C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]2(C)[C]1(O)C(=O)CO","378-44-9","CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",{"$nulls":4},392.19990224800074,"?"]
[1767,"CCC1(C(=O)NC(=O)NC1=O)c2ccc(O)cc2","379-34-0","CCC1(c2ccc(O)cc2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)c2ccc(cc2)O",{"$nulls":4},248.079706864,"?"]
[1768,"[F]|[Sn](c1ccccc1)(c2ccccc2)c3ccccc3","379-52-2",{"$nulls":7},""]
[1769,"OC(=O)C(F)F","381-73-7","O=C(O)C(F)F","O=C(O)C(F)F",{"$nulls":4},96.002285744,"?"]
[1770,"C[C]12CC(=O)[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CCC2=O","382-45-6","CC12CC(=O)C3C(CCC4=CC(=O)CCC43C)C1CCC2=O","CC12C(C3C(C(C1)=O)C4(C(CC3)=CC(=O)CC4)C)CCC2=O",{"$nulls":4},300.17254462800065,"?"]
[1771,"CCN1C=C(C(O)=O)C(=O)c2ccc(C)nc12","389-08-2","CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21","CCn1c2c(c(c(c1)C(=O)O)=O)ccc(C)n2",{"$nulls":4},232.084792244,"?"]
[1772,null,"398-88-9",{"$nulls":7},""]
[1773,"NC(=O)N(CCO)N=Cc1oc(cc1)[N+]([O-])=O","405-22-1","NC(=O)N(CCO)N=Cc1ccc([N+](=O)[O-])o1","NC(=O)N(CCO)N=Cc1oc(cc1)[N+](=O)[O-]",{"$nulls":4},242.06511942,"?"]
[1774,"FC(F)(F)COC=C","406-90-6","C=COCC(F)(F)F","C=COCC(F)(F)F",{"$nulls":4},126.02924944,"?"]
[1775,"NC#N","420-04-2","N#CN","N#CN",{"$nulls":4},42.021798063999995,"?"]
[1776,"C[CH]1C[CH]2[CH]3CC[C](O)(C(C)=O)[C]3(C)C[CH](O)[C]2(F)[C]4(C)C=CC(=O)C=C14","426-13-1","CC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(C3)C)=CC(=O)C=C4)C)(F)C(O)C2)C)O",{"$nulls":4},376.20498762800077,"?"]
[1777,"CC(=O)C(C)=O","431-03-8","CC(=O)C(C)=O","CC(=O)C(C)=O",{"$nulls":4},86.036779432,"?"]
[1778,"OC(=O)c1ccccc1C(F)(F)F","433-97-6","O=C(O)c1ccccc1C(F)(F)F","O=C(O)c1c(cccc1)C(F)(F)F",{"$nulls":4},190.02416406,"?"]
[1779,"C[C]12CCC(=O)C=C1CC[CH]3[CH]2CC[C]4(C)[CH]3CC[C]4(O)C#C","434-03-7","C#CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C","C#CC1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O",{"$nulls":4},312.2089301360008,"?"]
[1780,"C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C","434-13-9","CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2)C",{"$nulls":4},376.2977451400011,"?"]
[1781,"C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[CH]2O","434-22-0","CC12CCC3C4CCC(=O)C=C4CCC3C1CCC2O","CC12C(C3C(CC1)C4C(=CC(CC4)=O)CC3)CCC2O",{"$nulls":4},274.1932800720005,"?"]
[1782,"C[CH]1C[CH]2OC(=O)[CH](C)[CH]2[CH](O)C3=C(C)C(=O)C[CH]13","436-45-3","CC1=C2C(O)C3C(CC(C)C2CC1=O)OC(=O)C3C","CC=1C(CC2C1C(O)C3C(C(OC3CC2C)=O)C)=O",{"$nulls":4},264.13615912000023,"?"]
[1783,"CCC(=O)N(C1CCN(CC1)CCc2ccccc2)c3ccccc3","437-38-7","CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1","CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3",{"$nulls":4},336.22016351600075,"?"]
[1784,"COc1cc(O)c2C(=O)c3cc(O)ccc3Oc2c1","437-50-3","COc1cc(O)c2c(=O)c3cc(O)ccc3oc2c1","COc1cc2c(c(c1)O)c(=O)c3c(ccc(c3)O)o2",{"$nulls":4},258.0528234200001,"?"]
[1785,"CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13","439-14-5","CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21","CN1c2c(C(=NCC1=O)c3ccccc3)cc(Cl)cc2",{"$nulls":4},284.0716407160004,"?"]
[1786,"CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I","440-58-4","CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I","CC(=O)NCc1c(c(c(c(c1I)NC(C)=O)I)C(=O)O)I",{"$nulls":4},627.7853008320003,"?"]
[1787,"O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1.CC(O)C(O)=O","442-16-0","CCOc1ccc2nc3cc(N)ccc3c(N)c2c1","CCOc1cc2c(cc1)nc3c(ccc(c3)N)c2N","CC(O)C(O)=O","O",null,null,361.163770836,"?"]
[1788,"Cc1ncc(n1CCO)[N+]([O-])=O","443-48-1","Cc1ncc([N+](=O)[O-])n1CCO","Cc1n(c(cn1)[N+](=O)[O-])CCO",{"$nulls":4},171.064391148,"?"]
[1789,"CC[CH](C)[CH](N)C(O)=O","443-79-8","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[1790,"OC(=O)c1ccccc1F","445-29-4","O=C(O)c1ccccc1F","O=C(O)c1c(cccc1)F",{"$nulls":4},140.02735762,"?"]
[1791,"Oc1cc(F)ccc1[N+]([O-])=O","446-36-6","O=[N+]([O-])c1ccc(F)cc1O","O=[N+]([O-])c1c(cc(cc1)F)O",{"$nulls":4},157.017521208,"?"]
[1792,"OC(=O)Cc1cc(O)ccc1O","451-13-8","O=C(O)Cc1cc(O)ccc1O","O=C(O)Cc1c(ccc(c1)O)O",{"$nulls":4},168.042258736,"?"]
[1793,"Nc1ncc2[nH]cnc2n1","452-06-2","Nc1ncc2[nH]cnc2n1","Nc1nc2c(cn1)[nH]cn2",{"$nulls":4},135.05449516,"?"]
[1794,"CCOc1ccc2nc(sc2c1)[S](N)(=O)=O","452-35-7","CCOc1ccc2nc(S(N)(=O)=O)sc2c1","CCOc1cc2c(cc1)nc(S(N)(=O)=O)s2",{"$nulls":4},258.01328418,"?"]
[1795,"OC1CCOC1","453-20-3","OC1CCOC1","OC1COCC1",{"$nulls":4},88.052429496,"?"]
[1796,"OC(=O)c1ccc(F)c(c1)[N+]([O-])=O","453-71-4","O=C(O)c1ccc(F)c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)F)[N+](=O)[O-]",{"$nulls":4},185.012435828,"?"]
[1797,"OC(=O)c1cccc(F)c1","455-38-9","O=C(O)c1cccc(F)c1","O=C(O)c1cc(ccc1)F",{"$nulls":4},140.02735762,"?"]
[1798,"OC(=O)c1ccc(F)cc1","456-22-4","O=C(O)c1ccc(F)cc1","O=C(O)c1ccc(cc1)F",{"$nulls":4},140.02735762,"?"]
[1799,"Fc1cccc(CCl)c1","456-42-8","Fc1cccc(CCl)c1","Fc1cc(ccc1)CCl",{"$nulls":4},144.014206092,"?"]
[1800,"CCC[CH]1CCCCN1","458-88-8","CCCC1CCCCN1","CCCC1NCCCC1",{"$nulls":4},127.13609954399999,"?"]
[1801,"C#CC#C","460-12-8","C#CC#C","C#CC#C",{"$nulls":4},50.015650064,"?"]
[1802,null,"461-57-4",{"$nulls":7},""]
[1803,"NC(N)=NC#N","461-58-5","N#CN=C(N)N","N#CN=C(N)N",{"$nulls":4},84.04359612799999,"?"]
[1804,"O=C1CNC(=O)N1","461-72-3","O=C1CNC(=O)N1","O=C1NC(NC1)=O",{"$nulls":4},100.027277368,"?"]
[1805,"Cc1cc(N)nc(C)n1","461-98-3","Cc1cc(N)nc(C)n1","Cc1nc(nc(c1)N)C",{"$nulls":4},123.07964728799999,"?"]
[1806,null,"462-02-2",{"$nulls":7},""]
[1807,"Fc1ccccc1","462-06-6","Fc1ccccc1","Fc1ccccc1",{"$nulls":4},96.03752838,"?"]
[1808,"Nc1cccnc1","462-08-8","Nc1cccnc1","Nc1cnccc1",{"$nulls":4},94.053098192,"?"]
[1809,"NC(=O)NCC(O)=O","462-60-2","NC(=O)NCC(=O)O","NC(=O)NCC(=O)O",{"$nulls":4},118.037842052,"?"]
[1810,"NC(=O)NCCC(O)=O","462-88-4","NC(=O)NCCC(=O)O","NC(=O)NCCC(=O)O",{"$nulls":4},132.053492116,"?"]
[1811,"CCOCOCC","462-95-3","CCOCOCC","CCOCOCC",{"$nulls":4},104.083729624,"?"]
[1812,"CC(C)(C)C","463-82-1","CC(C)(C)C","CC(C)(C)C",{"$nulls":4},72.093900384,"?"]
[1813,"CC(O)C(C)(C)C","464-07-3","CC(O)C(C)(C)C","CC(O)C(C)(C)C",{"$nulls":4},102.104465068,"?"]
[1814,"CC1(C)C2CCC1(C)[CH](O)C2","464-43-7","CC1(C)C2CCC1(C)C(O)C2","CC1(C2(CCC1CC2O)C)C",{"$nulls":4},154.135765196,"?"]
[1815,"CC1(C)[CH]2CC[C]1(C)C(=O)C2","464-49-3","CC12CCC(CC1=O)C2(C)C","CC12C(CC(CC1)C2(C)C)=O",{"$nulls":4},152.120115132,"?"]
[1816,"O[C]12CCO[C]1(Nc3ccccc23)[CH]4C[CH]5CCN4C[CH]5C=C","464-85-7","C=CC1CN2CCC1CC2C12Nc3ccccc3C1(O)CCO2","C=CC1C2CCN(C1)C(C2)C34C(c5c(N3)cccc5)(O)CCO4",{"$nulls":4},312.1837780080007,"?"]
[1817,null,"464-88-0",{"$nulls":7},""]
[1818,"CC1(C)C2CCC1(C)C(=O)C2=O","465-29-2","CC12CCC(C(=O)C1=O)C2(C)C","CC12C(C(C(CC1)C2(C)C)=O)=O",{"$nulls":4},166.099379688,"?"]
[1819,"CC[C]12CCCN3CC[C]4([CH](CC1)N(C(C)=O)c5c(OC)cccc45)[CH]23","466-49-9","CCC12CCCN3CCC4(c5cccc(OC)c5N(C(C)=O)C4CC1)C32","CCC12CCC3C4(CCN(CCC1)C24)c5c(c(ccc5)OC)N3C(C)=O",{"$nulls":4},354.23072820000084,"?"]
[1820,"OC(=O)[C]1(O)c2ccccc2c3ccccc13","467-69-6","O=C(O)C1(O)c2ccccc2-c2ccccc21","O=C(O)C1(c2c(-c3c1cccc3)cccc2)O",{"$nulls":4},226.06299417999998,"?"]
[1821,null,"467-98-1",{"$nulls":7},""]
[1822,"CCC(=O)O[C](Cc1ccccc1)([CH](C)CN(C)C)c2ccccc2","469-62-5","CCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)CN(C)C","CCC(=O)OC(Cc1ccccc1)(c2ccccc2)C(C)CN(C)C",{"$nulls":4},339.21982916800084,"?"]
[1823,null,"470-64-4",{"$nulls":7},""]
[1824,"CC12CCC(CC1)C(C)(C)O2","470-82-6","CC12CCC(CC1)C(C)(C)O2","CC12CCC(CC1)C(C)(C)O2",{"$nulls":4},154.135765196,"?"]
[1825,"CCO[P](=O)(OCC)OC(=CCl)c1ccc(Cl)cc1Cl","470-90-6","CCOP(=O)(OCC)OC(=CCl)c1ccc(Cl)cc1Cl","CCOP(=O)(OCC)OC(=CCl)c1c(cc(cc1)Cl)Cl",{"$nulls":4},357.9695285980004,"?"]
[1826,"ClCC[S](=O)(=O)CCCl","471-03-4","O=S(=O)(CCCl)CCCl","O=S(=O)(CCCl)CCCl",{"$nulls":4},189.962205856,"?"]
[1827,"CN=C(N)N","471-29-4","CN=C(N)N","CN=C(N)N",{"$nulls":4},73.06399722399999,"?"]
[1828,"NC(=O)C(N)=O","471-46-5","NC(=O)C(N)=O","NC(=O)C(N)=O",{"$nulls":4},88.027277368,"?"]
[1829,null,"473-18-7",{"$nulls":7},""]
[1830,"Nc1ccc(cc1)[S](=O)(=O)c2sc(N)nc2","473-30-3","Nc1ccc(S(=O)(=O)c2cnc(N)s2)cc1","Nc1ccc(cc1)S(=O)(=O)c2sc(nc2)N",{"$nulls":4},255.013618528,"?"]
[1831,"Cc1ccc(cc1)[S](=O)(=O)N(Cl)Cl","473-34-7","Cc1ccc(S(=O)(=O)N(Cl)Cl)cc1","Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl",{"$nulls":4},238.957454824,"?"]
[1832,"CC(C)(C1CCC(C1)C(O)=O)C(O)=O","473-35-8","CC(C)(C(=O)O)C1CCC(C(=O)O)C1","CC(C)(C(=O)O)C1CC(CC1)C(=O)O",{"$nulls":4},200.104858992,"?"]
[1833,"CC(=O)C1CC(CC(O)=O)C1(C)C","473-72-3","CC(=O)C1CC(CC(=O)O)C1(C)C","CC(=O)C1C(C(C1)CC(=O)O)(C)C",{"$nulls":4},184.109944372,"?"]
[1834,"[K+].OCC(O)C([O-])=O","473-81-4","O=C([O-])C(O)CO","O=C(O)C(O)CO","[K+]",{"$nulls":3},143.98249032,"Structure has been neutralized"]
[1835,"C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C","474-25-9","CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",{"$nulls":4},392.29265976000113,"?"]
[1836,"C[C]12CC[CH]3C(=CCc4cc(O)ccc34)[CH]1CCC2=O","474-86-2","CC12CCC3C(=CCc4cc(O)ccc43)C1CCC2=O","CC12C(C=3C(CC1)c4c(CC3)cc(O)cc4)CCC2=O",{"$nulls":4},268.14632988000034,"?"]
[1837,"Oc1ccc2c(OCC3(O)CC4=CC(=O)C(=CC4=C23)O)c1O","475-25-2","O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O","O=C1C(=CC=2C(=C1)CC3(C2c4c(OC3)c(c(cc4)O)O)O)O",{"$nulls":4},300.0633881040003,"?"]
[1838,"C[CH](CCC(=O)NCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C","475-31-0","CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C",{"$nulls":4},465.30903809600113,"?"]
[1839,"COc1cc(cc(OC)c1OC)[CH]2[CH]3[CH](COC3=O)[CH](O)c4cc5OCOc5cc24","477-47-4","COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC","COc1c(c(cc(c1)C2C3C(C(c4c2cc5OCOc5c4)O)COC3=O)OC)OC",{"$nulls":4},414.1314676640006,"?"]
[1840,"[Cl-].Cc1cc2nc3c(C)c(N)ccc3[n+](c4ccccc4)c2cc1N","477-73-6","Cc1cc2nc3c(C)c(N)ccc3[n+](-c3ccccc3)c2cc1N","Cc1c(cc2c(c1)nc3c(ccc(c3C)N)[n+]2-c4ccccc4)N","[Cl-]",{"$nulls":3},350.1298242880006,"?"]
[1841,"CN1C(=O)N(C)c2ncn(CC(O)CO)c2C1=O","479-18-5","Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)CC(O)CO)C)=O",{"$nulls":4},254.101504928,"?"]
[1842,"C1Cc2c3ccc4ccccc4c3cc5cccc1c25","479-23-2","c1cc2c3c(c4ccc5ccccc5c4cc3c1)CC2","c1cc2c3c(c1)CCc3c4c(c5c(cc4)cccc5)c2",{"$nulls":4},254.109550448,"?"]
[1843,"Nc1cccc2cccc(N)c12","479-27-6","Nc1cccc2cccc(N)c12","Nc1c2c(ccc1)cccc2N",{"$nulls":4},158.08439832,"?"]
[1844,"CN(c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","479-45-8","CN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-]","CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},287.0138121200001,"?"]
[1845,"CC(C)C1=C(C)N(C)N(c2ccccc2)C1=O","479-92-5","Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1C(C)C)=O)-c2ccccc2)C",{"$nulls":4},230.141913196,"?"]
[1846,"OC[CH]1O[CH](O[CH]2OC=C[CH]3[CH](O)C=C(CO)[CH]23)[CH](O)[CH](O)[CH]1O","479-98-1","OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12","OCC=1C2C(C(C1)O)C=COC2OC3C(C(C(C(O3)CO)O)O)O",{"$nulls":4},346.12638228400056,"?"]
[1847,"Oc1ccc(c(O)c1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2","480-16-0","O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12","O=c1c2c(oc(c1O)-c3c(cc(cc3)O)O)cc(O)cc2O",{"$nulls":4},302.0426526600003,"?"]
[1848,"Cc1cc(C)c(c(C)c1)C(O)=O","480-63-7","Cc1cc(C)c(C(=O)O)c(C)c1","Cc1cc(c(c(c1)C)C(=O)O)C",{"$nulls":4},164.083729624,"?"]
[1849,"Cc1cc(O)c(C(O)=O)c(O)c1","480-67-1","Cc1cc(O)c(C(=O)O)c(O)c1","Cc1cc(c(c(c1)O)C(=O)O)O",{"$nulls":4},168.042258736,"?"]
[1850,"[O-][N+](=O)C1C(=O)NC(=O)NC1=O","480-68-2","O=C1NC(=O)C([N+](=O)[O-])C(=O)N1","O=C1NC(C(C(N1)=O)[N+](=O)[O-])=O",{"$nulls":4},173.007270196,"?"]
[1851,"C[CH]1[CH]2CC[C]3(C)C=CC(=O)C(=C3[CH]2OC1=O)C","481-06-1","CC1=C2C3OC(=O)C(C)C3CCC2(C)C=CC1=O","CC=1C(C=CC2(C1C3C(C(C(O3)=O)C)CC2)C)=O",{"$nulls":4},246.125594436,"?"]
[1852,"C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O","481-29-8","CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O",{"$nulls":4},290.22458020000084,"?"]
[1853,"CN1C2CCC1[CH]([CH](O)C2)C(O)=O","481-37-8","CN1C2CCC1C(C(=O)O)C(O)C2","CN1C2CCC1CC(C2C(=O)O)O",{"$nulls":4},185.10519334,"?"]
[1854,"CC1=CC(=O)c2c(O)cccc2C1=O","481-42-5","CC1=CC(=O)c2c(O)cccc2C1=O","CC=1C(c2c(C(C1)=O)c(O)ccc2)=O",{"$nulls":4},188.047344116,"?"]
[1855,"OC(=O)c1ccccc1c2ccccc2C(O)=O","482-05-3","O=C(O)c1ccccc1-c1ccccc1C(=O)O","O=C(O)c1c(cccc1)-c2c(cccc2)C(=O)O",{"$nulls":4},242.0579088,"?"]
[1856,"CN1C(=O)N(C)c2nncnc2C1=O","483-57-8","Cn1c(=O)c2ncnnc2n(C)c1=O","Cn1c(n(c2c(c1=O)ncnn2)C)=O",{"$nulls":4},193.059974464,"?"]
[1857,"COc1ccc2C=CC(=O)Oc2c1CC=C(C)C","484-12-8","COc1ccc2ccc(=O)oc2c1CC=C(C)C","COc1c(c2c(cc1)ccc(=O)o2)CC=C(C)C",{"$nulls":4},244.109944372,"?"]
[1858,"CCC(C)c1cc(cc(c1OC(=O)C=C(C)C)[N+]([O-])=O)[N+]([O-])=O","485-31-4","CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)C=C(C)C","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C",{"$nulls":4},322.11648629600046,"?"]
[1859,"O=C1C=CC=C2[CH]3CNC[CH](C3)CN12","485-35-8","O=c1cccc2n1CC1CNCC2C1","O=c1n2c(ccc1)C3CNCC(C2)C3",{"$nulls":4},190.110613068,"?"]
[1860,"CC1CCC2C(C)C(=O)OCC12","485-43-8","CC1CCC2C(C)C(=O)OCC12","CC1C2C(CC1)C(C)C(=O)OC2",{"$nulls":4},168.115029752,"?"]
[1861,"CCC1CN2CCC1CC2C(O)c3ccnc4ccccc34","485-65-4","CCC1CN2CCC1CC2C(O)c1ccnc2ccccc12","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",{"$nulls":4},296.18886338800064,"?"]
[1862,"OC(C1CC2CCN1CC2C=C)c3ccnc4ccccc34","485-71-2","C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",{"$nulls":4},294.1732133240006,"?"]
[1863,"O[CH]1CCN2C(=O)c3ccccc3N=C12","486-64-6","O=c1c2ccccc2nc2n1CCC2O","O=c1n2c(nc3c1cccc3)C(CC2)O",{"$nulls":4},202.07422756,"?"]
[1864,"CN1C[CH]2C[CH](C1)C3=CC=CC(=O)N3C2","486-86-2","CN1CC2CC(C1)c1cccc(=O)n1C2","CN1CC2CC(C1)Cn3c2cccc3=O",{"$nulls":4},204.126263132,"?"]
[1865,"O=C1NC(=O)c2nccnc2N1","487-21-8","O=c1[nH]c(=O)c2nccnc2[nH]1","O=c1[nH]c2c(c([nH]1)=O)nccn2",{"$nulls":4},164.033425368,"?"]
[1866,"COc1ccc(cc1OC)[CH]2OC[CH]3[CH]2CO[CH]3c4ccc(O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)c(OC)c4","487-41-2","COc1ccc(C2OCC3C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)cc1OC","COc1c(cc(cc1)C2C3C(CO2)C(c4cc(c(cc4)OC5C(C(C(C(O5)CO)O)O)O)OC)OC3)OC",{"$nulls":4},534.2101119080007,"?"]
[1867,"CC1=C(CCC(O)=O)C(=O)NC1=O","487-65-0","CC1=C(CCC(=O)O)C(=O)NC1=O","CC=1C(NC(C1CCC(=O)O)=O)=O",{"$nulls":4},183.053157768,"?"]
[1868,"OC[CH](O)[CH](O)C(O)[CH](O)[CH](O)CO","488-38-0","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",{"$nulls":4},212.089602852,"?"]
[1869,"OC1C(O)C(O)C(O)C(O)C1O","488-59-5","OC1C(O)C(O)C(O)C(O)C1O","OC1C(C(C(C(C1O)O)O)O)O",{"$nulls":4},180.063388104,"?"]
[1870,"O[CH]1C[CH](O)[CH](O)C(O)[CH]1O","488-73-3","OC1CC(O)C(O)C(O)C1O","OC1C(C(C(C(C1)O)O)O)O",{"$nulls":4},164.068473484,"?"]
[1871,"CC(C)c1ccc(C)c2ccc(C)c2c1","489-84-9","Cc1ccc(C(C)C)cc2c(C)ccc1-2","Cc1c2-c(cc(cc1)C(C)C)c(C)cc2",{"$nulls":4},198.140850576,"?"]
[1872,"OC(=O)c1ccncc1C(O)=O","490-11-9","O=C(O)c1ccncc1C(=O)O","O=C(O)c1c(cncc1)C(=O)O",{"$nulls":4},167.02185764,"?"]
[1873,null,"490-26-6",{"$nulls":7},""]
[1874,null,"490-58-4",{"$nulls":7},""]
[1875,"COC(=O)c1ccccc1OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O","490-67-5","COC(=O)c1ccccc1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O","COC(=O)c1c(cccc1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O",{"$nulls":4},446.1424262720006,"?"]
[1876,"OC(=O)c1cc(O)ccc1O","490-79-9","O=C(O)c1cc(O)ccc1O","O=C(O)c1c(ccc(c1)O)O",{"$nulls":4},154.026608672,"?"]
[1877,"O=C1NC=Cc2ccccc12","491-30-5","O=c1[nH]ccc2ccccc12","O=c1c2c(cc[nH]1)cccc2",{"$nulls":4},145.052763844,"?"]
[1878,"Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1","491-59-8","Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1","Cc1cc2c(c(c1)O)c(O)c3c(cccc3O)c2",{"$nulls":4},240.078644244,"?"]
[1879,"NC1=NC(=O)C2=C(N1)NC(=O)C(=O)N2","492-11-5","Nc1nc(=O)c2[nH]c(=O)c(=O)[nH]c2[nH]1","Nc1[nH]c2c(c(n1)=O)[nH]c(=O)c(=O)[nH]2",{"$nulls":4},195.03923902,"?"]
[1880,null,"492-18-2",{"$nulls":7},""]
[1881,"OC(=O)C(=C)c1ccccc1","492-38-6","C=C(C(=O)O)c1ccccc1","C=C(C(=O)O)c1ccccc1",{"$nulls":4},148.052429496,"?"]
[1882,"C[CH](N)[CH](O)c1ccccc1","492-39-7","CC(N)C(O)c1ccccc1","CC(N)C(O)c1ccccc1",{"$nulls":4},151.099714036,"?"]
[1883,"OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O","492-62-6","OCC1OC(O)C(O)C(O)C1O","OCC1C(C(C(C(O1)O)O)O)O",{"$nulls":4},180.063388104,"?"]
[1884,"OC(C(O)c1ccccc1)c2ccccc2","492-70-6","OC(c1ccccc1)C(O)c1ccccc1","OC(c1ccccc1)C(O)c2ccccc2",{"$nulls":4},214.099379688,"?"]
[1885,"OC1=CC(=O)C[CH](C1)c2ccccc2","493-72-1","O=C1C=C(O)CC(c2ccccc2)C1","O=C1CC(CC(=C1)O)c2ccccc2",{"$nulls":4},188.083729624,"?"]
[1886,"[H+].[Cl-].CN(C)c1ccc2nc3cccc(N(C)C)c3cc2c1","494-38-2","CN(C)c1ccc2nc3cccc(N(C)C)c3cc2c1","CN(C)c1cc2c(cc1)nc3c(c(ccc3)N(C)C)c2","[Cl-]","[H+]",null,null,301.1345753200003,"?"]
[1887,"C1CC[CH](NC1)c2cccnc2","494-52-0","c1cncc(C2CCCCN2)c1","c1cc(cnc1)C2NCCCC2",{"$nulls":4},162.115698448,"?"]
[1888,"OCc1cc(O)ccc1O","495-08-9","OCc1cc(O)ccc1O","OCc1c(ccc(c1)O)O",{"$nulls":4},140.047344116,"?"]
[1889,"OC(=O)CNC(=O)c1ccccc1","495-69-2","O=C(O)CNC(=O)c1ccccc1","O=C(O)CNC(=O)c1ccccc1",{"$nulls":4},179.058243148,"?"]
[1890,"O=Nc1ccc(NNC(=O)c2ccccc2)cc1","495-73-8","O=Nc1ccc(NNC(=O)c2ccccc2)cc1","O=Nc1ccc(cc1)NNC(=O)c2ccccc2",{"$nulls":4},241.085126592,"?"]
[1891,"O=C(NNC=C1C=CC=CC1=O)c2ccncc2","495-84-1","O=C1C=CC=CC1=CNNC(=O)c1ccncc1","O=C1C(C=CC=C1)=CNNC(=O)c2ccncc2",{"$nulls":4},241.085126592,"?"]
[1892,"C1Cc2ccccc2C1","496-11-7","c1ccc2c(c1)CCC2","c1cc2c(cc1)CCC2",{"$nulls":4},118.07825032,"?"]
[1893,"C1Cc2ccccc2N1","496-15-1","c1ccc2c(c1)CCN2","c1cc2c(cc1)NCC2",{"$nulls":4},119.073499288,"?"]
[1894,"CC=C(C)C=O","497-03-0","CC=C(C)C=O","CC=C(C)C=O",{"$nulls":4},84.057514876,"?"]
[1895,"CC1OCCO1","497-26-7","CC1OCCO1","CC1OCCO1",{"$nulls":4},88.052429496,"?"]
[1896,"O=C1CC2CCC1C2","497-38-1","O=C1CC2CCC1C2","O=C1C2CCC(C1)C2",{"$nulls":4},110.07316494,"?"]
[1897,null,"497-58-5",{"$nulls":7},""]
[1898,"OC(O)=C1OC(=CC(=O)C1=O)C(O)=O","497-59-6","O=C(O)C1=CC(=O)C(=O)C(=C(O)O)O1","O=C(O)C=1OC(C(C(C1)=O)=O)=C(O)O",{"$nulls":4},199.99570246800002,"?"]
[1899,"COc1cc(ccc1O)C(C)=O","498-02-2","COc1cc(C(C)=O)ccc1O","COc1c(ccc(c1)C(C)=O)O",{"$nulls":4},166.06299418,"?"]
[1900,"CCC[CH](N)C(O)=O","498-18-0","CCCC(N)C(=O)O","CCCC(N)C(=O)O",{"$nulls":4},117.078978592,"?"]
[1901,"CC(CC(O)=O)C(O)=O","498-21-5","CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O",{"$nulls":4},132.042258736,"?"]
[1902,"CC(=CC(O)=O)C(O)=O","498-23-7","CC(=CC(=O)O)C(=O)O","CC(=CC(=O)O)C(=O)O",{"$nulls":4},130.026608672,"?"]
[1903,"CC(=CC(O)=O)C(O)=O","498-24-8","CC(=CC(=O)O)C(=O)O","CC(=CC(=O)O)C(=O)O",{"$nulls":4},130.026608672,"?"]
[1904,"CC1=CCC(CC1O)C(C)(C)O","498-71-5","CC1=CCC(C(C)(C)O)CC1O","CC=1C(CC(CC1)C(C)(C)O)O",{"$nulls":4},170.130679816,"?"]
[1905,"OC(=O)CC(=CC(O)=O)C(O)=O","499-12-7","O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O",{"$nulls":4},174.01643791200001,"?"]
[1906,"CC(C)C1=CC(=O)C(C)CC1","499-74-1","CC(C)C1=CC(=O)C(C)CC1","CC(C)C=1CCC(C(C1)=O)C",{"$nulls":4},152.120115132,"?"]
[1907,"CC(C)c1ccc(C)c(O)c1","499-75-2","Cc1ccc(C(C)C)cc1O","Cc1c(cc(cc1)C(C)C)O",{"$nulls":4},150.104465068,"?"]
[1908,"OC(=O)c1ccnc(c1)C(O)=O","499-80-9","O=C(O)c1ccnc(C(=O)O)c1","O=C(O)c1cc(ncc1)C(=O)O",{"$nulls":4},167.02185764,"?"]
[1909,"OC(=O)c1cncc(c1)C(O)=O","499-81-0",null,null,"OC(=O)c1cncc(c1)C(O)=O",{"$nulls":3},751.7112375480002,"?"]
[1910,"OC(=O)c1cccc(n1)C(O)=O","499-83-2","O=C(O)c1cccc(C(=O)O)n1","O=C(O)c1nc(ccc1)C(=O)O",{"$nulls":4},167.02185764,"?"]
[1911,"CO[P](=S)(OC)Oc1ccc(c(Cl)c1)[N+]([O-])=O","500-28-7","COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(Cl)c1","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])Cl",{"$nulls":4},296.9627576980002,"?"]
[1912,"CC1CC(CC(C)(C)N1)OC(=O)c2ccccc2","500-34-5","CC1CC(OC(=O)c2ccccc2)CC(C)(C)N1","CC1NC(CC(C1)OC(=O)c2ccccc2)(C)C",{"$nulls":4},247.157228912,"?"]
[1913,"OC(=O)C(=O)Nc1ccccc1","500-72-1","O=C(O)C(=O)Nc1ccccc1","O=C(O)C(=O)Nc1ccccc1",{"$nulls":4},165.042593084,"?"]
[1914,"OC(=O)CNC(=O)Cc1ccccc1","500-98-1","O=C(O)CNC(=O)Cc1ccccc1","O=C(O)CNC(=O)Cc1ccccc1",{"$nulls":4},193.073893212,"?"]
[1915,"OC(=O)CCc1ccccc1","501-52-0","O=C(O)CCc1ccccc1","O=C(O)CCc1ccccc1",{"$nulls":4},150.06807956,"?"]
[1916,"ClCCC(=O)NCc1ccccc1","501-68-8","O=C(CCCl)NCc1ccccc1","O=C(CCCl)NCc1ccccc1",{"$nulls":4},197.060741684,"?"]
[1917,"OC(=O)Cc1ccc(cc1)C(O)=O","501-89-3","O=C(O)Cc1ccc(C(=O)O)cc1","O=C(O)Cc1ccc(cc1)C(=O)O",{"$nulls":4},180.042258736,"?"]
[1918,null,"502-39-6",{"$nulls":7},""]
[1919,null,"502-45-4",{"$nulls":7},""]
[1920,null,"502-51-2",{"$nulls":7},""]
[1921,"CCOC(=S)SSC(=S)OCC","502-55-6","CCOC(=S)SSC(=S)OCC","CCOC(=S)SSC(=S)OCC",{"$nulls":4},241.95636356,"?"]
[1922,"CCCCC(=O)CCCC","502-56-7","CCCCC(=O)CCCC","CCCCC(=O)CCCC",{"$nulls":4},142.135765196,"?"]
[1923,"C1COC1","503-30-0","C1COC1","C1COC1",{"$nulls":4},58.041864812,"?"]
[1924,"O[S](=O)(=O)C[S](O)(=O)=O","503-40-2","O=S(=O)(O)CS(=O)(=O)O","O=S(=O)(O)CS(=O)(=O)O",{"$nulls":4},175.94492984800002,"?"]
[1925,"CC=CC(O)=O","503-64-0","CC=CC(=O)O","CC=CC(=O)O",{"$nulls":4},86.036779432,"?"]
[1926,"CC(C)CC(O)=O","503-74-2","CC(C)CC(=O)O","CC(C)CC(=O)O",{"$nulls":4},102.06807956,"?"]
[1927,"Nc1ccncc1","504-24-5","Nc1ccncc1","Nc1ccncc1",{"$nulls":4},94.053098192,"?"]
[1928,"Nc1ccccn1","504-29-0","Nc1ccccn1","Nc1ncccc1",{"$nulls":4},94.053098192,"?"]
[1929,"C1CSCCS1","505-29-3","C1CSCCS1","C1SCCSC1",{"$nulls":4},120.006742256,"?"]
[1930,"C[S](=O)(=O)CCCN=C=S","505-34-0","CS(=O)(=O)CCCN=C=S","CS(=O)(=O)CCCN=C=S",{"$nulls":4},179.007470528,"?"]
[1931,"OC(=O)CCCCCCC(O)=O","505-48-6","O=C(O)CCCCCCC(=O)O","O=C(O)CCCCCCC(=O)O",{"$nulls":4},174.089208928,"?"]
[1932,"OC(=O)CCCCCCCCCCCC(O)=O","505-52-2","O=C(O)CCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCC(=O)O",{"$nulls":4},244.167459248,"?"]
[1933,"ClCCSCCCl","505-60-2","ClCCSCCCl","ClCCSCCCl",{"$nulls":4},157.972376616,"?"]
[1934,"OC(=O)C=CC=CC(O)=O","505-70-4","O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O",{"$nulls":4},142.026608672,"?"]
[1935,"OC(=O)CCNCC(O)=O","505-72-6","O=C(O)CCNCC(=O)O","O=C(O)CCNCC(=O)O",{"$nulls":4},147.053157768,"?"]
[1936,null,"505-97-5",{"$nulls":7},""]
[1937,"ClC#N","506-77-4","N#CCl","N#CCl",{"$nulls":4},60.971926679999996,"?"]
[1938,"IC#N","506-78-5","N#CI","N#CI",{"$nulls":4},152.907547,"?"]
[1939,"CC(C)(C)Br","507-19-7","CC(C)(C)Br","CC(C)(C)Br",{"$nulls":4},135.988762388,"?"]
[1940,"CC(C)(C)Cl","507-20-0","CC(C)(C)Cl","CC(C)(C)Cl",{"$nulls":4},92.039277968,"?"]
[1941,"CC1(C)C2CCC1(C)C(O)C2","507-70-0","CC1(C)C2CCC1(C)C(O)C2","CC1(C2(CCC1CC2O)C)C",{"$nulls":4},154.135765196,"?"]
[1942,null,"508-34-9",{"$nulls":7},""]
[1943,"CC(C)(C)CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C","508-96-3","CC(C)(C)CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C","CC(C)(C)CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O",{"$nulls":4},460.2824890000011,"?"]
[1944,"[O-][N+](=O)C([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O","509-14-8","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},195.97161296000002,"Errors in neutralization"]
[1945,"CN1CC[C]23[CH]4Oc5c(OCCN6CCOCC6)ccc(C[CH]1C2C=C[CH]4O)c35","509-67-1","CN1CCC23c4c5ccc(OCCN6CCOCC6)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5OCCN6CCOCC6)C(O)C=C3",{"$nulls":4},398.22055744000085,"?"]
[1946,"[Na+].CCC1(C(=O)NC(=O)[N-]C1=O)C2=CCCCCC2","509-86-4","CCC1(C2=CCCCCC2)C(=O)[N-]C(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCCC2","[Na+]",{"$nulls":3},272.113686684,"Structure has been neutralized"]
[1947,"CCC1(N2CCCCC2)C(=O)NC(=O)NC1=O","509-87-5","CCC1(N2CCCCC2)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)N2CCCCC2",{"$nulls":4},239.126991404,"?"]
[1948,"CCOC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2","510-15-6","CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1","CCOC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl",{"$nulls":4},324.03199966800037,"?"]
[1949,"CCC(CC)(C(O)=O)C(O)=O","510-20-3","CCC(CC)(C(=O)O)C(=O)O","CCC(CC)(C(=O)O)C(=O)O",{"$nulls":4},160.073558864,"?"]
[1950,"CCC(Br)(CC)C(N)=O","511-70-6","CCC(Br)(CC)C(N)=O","CCC(Br)(CC)C(N)=O",{"$nulls":4},193.010226104,"?"]
[1951,"C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC=C6C[CH](O)CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C","512-04-9","CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C","CC1COC2(CC1)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C",{"$nulls":4},414.31339520400115,"?"]
[1952,"CO[P](=O)(OC)OC","512-56-1","COP(=O)(OC)OC","COP(=O)(OC)OC",{"$nulls":4},140.02384539800002,"?"]
[1953,"CC1(C)C2CC3C(C2)C13C(O)=O","512-60-7","CC1(C)C2CC3C(C2)C31C(=O)O","CC1(C2(C3CC1CC32)C(=O)O)C",{"$nulls":4},166.099379688,"?"]
[1954,"OC[CH]1O[CH](OC[CH]2O[CH](O[C]3(CO)O[CH](CO)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O","512-69-6","OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O",{"$nulls":4},504.1690349440007,"?"]
[1955,"CCCO[P](=O)(OCCC)OCCC","513-08-6","CCCOP(=O)(OCCC)OCCC","CCCOP(=O)(OCCC)OCCC",{"$nulls":4},224.117745782,"?"]
[1956,"CC=C(C)C","513-35-9","CC=C(C)C","CC=C(C)C",{"$nulls":4},70.07825032,"?"]
[1957,"CC(C)CCl","513-36-0","CC(C)CCl","CC(C)CCl",{"$nulls":4},92.039277968,"?"]
[1958,"CC(C)=CCl","513-37-1","CC(C)=CCl","CC(C)=CCl",{"$nulls":4},90.023627904,"?"]
[1959,"CC(=C)CO","513-42-8","C=C(C)CO","C=C(C)CO",{"$nulls":4},72.057514876,"?"]
[1960,"CCC(C)I","513-48-4","CCC(C)I","CCC(C)I",{"$nulls":4},183.974898288,"?"]
[1961,"CCC(C)S","513-53-1","CCC(C)S","CCC(C)S",{"$nulls":4},90.05032132,"?"]
[1962,"CC(=C)C(C)=C","513-81-5","C=C(C)C(=C)C","C=C(C)C(=C)C",{"$nulls":4},82.07825032,"?"]
[1963,"C[CH](O)[CH](C)O","513-85-9","CC(O)C(C)O","CC(O)C(C)O",{"$nulls":4},90.06807956,"?"]
[1964,"CC(O)C(C)=O","513-86-0","CC(=O)C(C)O","CC(=O)C(C)O",{"$nulls":4},88.052429496,"?"]
[1965,"CC(C)C1=CC2=CC[CH]3[C](C)(CCC[C]3(C)C(O)=O)[CH]2CC1","514-10-3","CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1","CC(C)C=1CCC2C(C1)=CCC3C2(CCCC3(C)C(=O)O)C",{"$nulls":4},302.22458020000084,"?"]
[1966,"CC12CC[CH](O)CC1CCC3C4CCC(=O)C4(C)CC(O)C23","514-17-0","CC12CC(O)C3C(CCC4CC(O)CCC43C)C1CCC2=O","CC12C(C3C(C(C1)O)C4(C(CC3)CC(O)CC4)C)CCC2=O",{"$nulls":4},306.2194948200008,"?"]
[1967,"CC(O)(C(O)=O)c1ccccc1","515-30-0","CC(O)(C(=O)O)c1ccccc1","CC(O)(C(=O)O)c1ccccc1",{"$nulls":4},166.06299418,"?"]
[1968,"CCO[S](=O)(=O)c1ccccc1","515-46-8","CCOS(=O)(=O)c1ccccc1","CCOS(=O)(=O)c1ccccc1",{"$nulls":4},186.03506518,"?"]
[1969,"NC(=S)N[S](=O)(=O)c1ccc(N)cc1","515-49-1","NC(=S)NS(=O)(=O)c1ccc(N)cc1","NC(=S)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},231.013618528,"?"]
[1970,"Cc1csc(N[S](=O)(=O)c2ccc(N)cc2)n1","515-59-3","Cc1csc(NS(=O)(=O)c2ccc(N)cc2)n1","Cc1nc(sc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},269.02926859200034,"?"]
[1971,"Cc1cc(N[S](=O)(=O)c2ccc(N)cc2)nc(C)n1","515-64-0","Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1","Cc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C",{"$nulls":4},278.0837466880004,"?"]
[1972,"CC(C(O)=O)C(O)=O","516-05-2","CC(C(=O)O)C(=O)O","CC(C(=O)O)C(=O)O",{"$nulls":4},118.02660867200001,"?"]
[1973,"CC(C)C(N)C(O)=O","516-06-3","CC(C)C(N)C(=O)O","CC(C)C(N)C(=O)O",{"$nulls":4},117.078978592,"?"]
[1974,"CC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O","517-09-9","CC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O","CC12C(c3c(CC1)c4c(cc3)cc(O)cc4)CCC2=O",{"$nulls":4},266.1306798160003,"?"]
[1975,"CC(=O)C1CCOC1=O","517-23-7","CC(=O)C1CCOC1=O","CC(=O)C1C(OCC1)=O",{"$nulls":4},128.047344116,"?"]
[1976,null,"517-40-8",{"$nulls":7},""]
[1977,"COc1cc(cc(OC)c1OC)[CH]2[CH]3[CH](COC3=O)Cc4c(O)c5OCOc5cc24","518-29-6","COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1OC","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)OC",{"$nulls":4},414.1314676640006,"?"]
[1978,"Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1","518-45-6","O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21","O=C1c2c(C3(O1)c4c(Oc5c3ccc(O)c5)cc(O)cc4)cccc2",{"$nulls":4},332.0684734840004,"?"]
[1979,"COc1ccc(C=O)c(C(O)=O)c1OC","519-05-1","COc1ccc(C=O)c(C(=O)O)c1OC","COc1c(c(c(cc1)C=O)C(=O)O)OC",{"$nulls":4},210.05282342,"?"]
[1980,"Oc1cc(O)c(c(O)c1)C(=O)c2ccc(O)c(O)c2","519-34-6","O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O","O=C(c1cc(c(cc1)O)O)c2c(cc(cc2O)O)O",{"$nulls":4},262.0477380400002,"?"]
[1981,"CN(C)C(=O)C(=O)N(N(C)C(C)=O)c1ccccc1","519-65-3","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1",{"$nulls":4},263.1269914040002,"?"]
[1982,"C[C]12CC[CH]3[CH](CC[CH]4CC(=O)CC[C]34C)[CH]1CC[CH]2O","521-18-6","CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC(=O)CC4)C)CCC2O",{"$nulls":4},290.22458020000084,"?"]
[1983,"Oc1c(Br)cc(Br)c2cccnc12","521-74-4","Oc1c(Br)cc(Br)c2cccnc12","Oc1c2c(c(cc1Br)Br)cccn2",{"$nulls":4},300.87378798000015,"?"]
[1984,"CCC1CN2CCC1CC2C(O)c3ccnc4ccc(OC)cc34","522-66-7","CCC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",{"$nulls":4},326.1994280720007,"?"]
[1985,"[H+].[H+].[Cl-].[Cl-].Cc1ncc(CO)c(CN)c1O","524-36-7","Cc1ncc(CO)c(CN)c1O","Cc1c(c(c(cn1)CO)CN)O","[Cl-]","[Cl-]","[H+]","[H+]",240.043233048,"?"]
[1986,"COC1=C(C#N)C(=O)N(C)C=C1","524-40-3","COc1ccn(C)c(=O)c1C#N","COc1c(c(n(cc1)C)=O)C#N",{"$nulls":4},164.058577496,"?"]
[1987,"O[S](=O)(=O)c1ccc2c(cccc2[S](O)(=O)=O)c1","525-37-1","O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cccc2c1","O=S(=O)(O)c1cc2c(cc1)c(S(=O)(=O)O)ccc2",{"$nulls":4},287.97622997600024,"?"]
[1988,"CC(C)NCC(O)COc1cccc2ccccc12","525-66-6","CC(C)NCC(O)COc1cccc2ccccc12","CC(C)NCC(O)COc1c2c(ccc1)cccc2",{"$nulls":4},259.1572289120001,"?"]
[1989,"Nc1ccc(cc1)[S](=O)(=O)Nc2ccnn2c3ccccc3","526-08-9","Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2n(ncc2)-c3ccccc3",{"$nulls":4},314.08374668800036,"?"]
[1990,"NC(Cc1[nH]nc2ccccc12)C(O)=O","526-30-7","NC(Cc1[nH]nc2ccccc12)C(=O)O","NC(Cc1c2c(n[nH]1)cccc2)C(=O)O",{"$nulls":4},205.085126592,"?"]
[1991,"Cc1cccc(C)c1C","526-73-8","Cc1cccc(C)c1C","Cc1c(c(ccc1)C)C",{"$nulls":4},120.093900384,"?"]
[1992,"Cc1cccc(O)c1C","526-75-0","Cc1cccc(O)c1C","Cc1c(c(ccc1)O)C",{"$nulls":4},122.07316494,"?"]
[1993,"OC(C(O)C(O)=O)C(O)=O","526-83-0","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",{"$nulls":4},150.01643791200001,"?"]
[1994,"[K+].OC[CH](O)[CH](O)[CH](O)[CH](O)C([O-])=O","526-95-4","O=C([O-])C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","[K+]",{"$nulls":3},234.01418437200002,"Structure has been neutralized"]
[1995,"OC(C(O)C(O)C(O)=O)C(O)C(O)=O","526-99-8","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",{"$nulls":4},210.03756728000002,"?"]
[1996,null,"527-00-4",{"$nulls":7},""]
[1997,"OC[CH](O)[CH](O)C(O)[CH](O)[CH](O)CO","527-06-0","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",{"$nulls":4},212.089602852,"?"]
[1998,"[Na+].OCC(O)C(O)C(O)C(O)C([O-])=O","527-07-1","O=C([O-])C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","[Na+]",{"$nulls":3},218.040246972,"Structure has been neutralized"]
[1999,"[Cu++].OC[CH](O)[CH](O)[CH](O)[CH](O)C([O-])=O.OC[CH](O)[CH](O)[CH](O)[CH](O)C([O-])=O","527-09-3","O=C([O-])C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C([O-])=O","[Cu+2]",null,null,453.03055288400003,"Structure has been neutralized"]
[2000,"Cc1cc(C)c(O)c(C)c1","527-60-6","Cc1cc(C)c(O)c(C)c1","Cc1cc(c(c(c1)C)O)C",{"$nulls":4},136.088815004,"?"]
[2001,"OC(=O)c1sccc1","527-72-0","O=C(O)c1cccs1","O=C(O)c1sccc1",{"$nulls":4},127.993200368,"?"]
[2002,"CC(C)c1ccccc1C","527-84-4","Cc1ccccc1C(C)C","Cc1c(cccc1)C(C)C",{"$nulls":4},134.109550448,"?"]
[2003,null,"528-10-9",{"$nulls":7},""]
[2004,"CC(=O)c1ccc(O)c(O)c1O","528-21-2","CC(=O)c1ccc(O)c(O)c1O","CC(=O)c1c(c(c(cc1)O)O)O",{"$nulls":4},168.042258736,"?"]
[2005,"[O-][N+](=O)c1ccccc1[N+]([O-])=O","528-29-0","O=[N+]([O-])c1ccccc1[N+](=O)[O-]","O=[N+]([O-])c1c(cccc1)[N+](=O)[O-]",{"$nulls":4},168.017106608,"?"]
[2006,"OC(=O)c1ccc(C(O)=O)c(c1)C(O)=O","528-44-9","O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1","O=C(O)c1cc(c(cc1)C(=O)O)C(=O)O",{"$nulls":4},210.01643791200001,"?"]
[2007,"OC(=O)c1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O","528-45-0","O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},212.006935848,"?"]
[2008,"OC(=O)C(=O)c1ccccc1C(O)=O","528-46-1","O=C(O)C(=O)c1ccccc1C(=O)O","O=C(O)C(=O)c1c(cccc1)C(=O)O",{"$nulls":4},194.02152329199998,"?"]
[2009,"OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O","528-50-7","OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",{"$nulls":4},342.11621152400056,"?"]
[2010,"CC(C)C(CC=C)C(=O)NC(N)=O","528-92-7","C=CCC(C(=O)NC(N)=O)C(C)C","C=CCC(C(=O)NC(N)=O)C(C)C",{"$nulls":4},184.121177752,"?"]
[2011,"O=C1C=CNc2ccccc12","529-37-3","O=c1cc[nH]c2ccccc12","O=c1c2c([nH]cc1)cccc2",{"$nulls":4},145.052763844,"?"]
[2012,"OCC(C(O)=O)c1ccccc1","529-64-6","O=C(O)C(CO)c1ccccc1","O=C(O)C(CO)c1ccccc1",{"$nulls":4},166.06299418,"?"]
[2013,"Oc1c2ccccc2cc3ccccc13","529-86-2","Oc1c2ccccc2cc2ccccc12","Oc1c2c(cc3c1cccc3)cccc2",{"$nulls":4},194.07316494,"?"]
[2014,"CC(=O)c1ccc(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1","530-14-3","CC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1","CC(=O)c1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O",{"$nulls":4},298.1052529160005,"?"]
[2015,"C=C(c1ccccc1)c2ccccc2","530-48-3","C=C(c1ccccc1)c1ccccc1","C=C(c1ccccc1)c2ccccc2",{"$nulls":4},180.093900384,"?"]
[2016,"OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F","530-78-9","O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1","O=C(O)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F",{"$nulls":4},281.0663632200003,"?"]
[2017,"ONC1=C(CCCCC1)N=O","530-97-2","O=NC1=C(NO)CCCCC1","O=NC=1CCCCCC1NO",{"$nulls":4},156.089877624,"?"]
[2018,"COc1ccc2C=CC(=O)Oc2c1","531-59-9","COc1ccc2ccc(=O)oc2c1","COc1cc2c(cc1)ccc(=O)o2",{"$nulls":4},176.047344116,"?"]
[2019,"OC(=O)C1=Cc2ccccc2OC1=O","531-81-7","O=C(O)c1cc2ccccc2oc1=O","O=C(O)c1c(oc2c(c1)cccc2)=O",{"$nulls":4},190.026608672,"?"]
[2020,"COc1ccccc1OCC(O)COC(N)=O","532-03-6","COc1ccccc1OCC(O)COC(N)=O","COc1c(cccc1)OCC(O)COC(N)=O",{"$nulls":4},241.09502258,"?"]
[2021,"[Na+].[O-]C(=O)c1ccccc1","532-32-1","O=C([O-])c1ccccc1","O=C(O)c1ccccc1","[Na+]",{"$nulls":3},144.01872368,"Structure has been neutralized"]
[2022,"[H+].[Cl-].Nc1ccc(N=Nc2ccccc2)c(N)c1","532-82-1","Nc1ccc(N=Nc2ccccc2)c(N)c1","Nc1cc(c(cc1)N=Nc2ccccc2)N","C.I","[Cl-]","[H+]",null,392.026472256,"?"]
[2023,"CC(=O)Nc1ccccc1Cl","533-17-5","CC(=O)Nc1ccccc1Cl","CC(=O)Nc1c(cccc1)Cl",{"$nulls":4},169.029441556,"?"]
[2024,"CCOC(=O)COc1ccc(Cl)cc1Cl","533-23-3","CCOC(=O)COc1ccc(Cl)cc1Cl","CCOC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},248.00069954,"?"]
[2025,"CCCCCc1ccc(O)cc1O","533-24-4","CCCCCc1ccc(O)cc1O","CCCCCc1c(cc(cc1)O)O",{"$nulls":4},180.115029752,"?"]
[2026,"CCN(CC)C(=O)CC(C)C","533-32-4","CCN(CC)C(=O)CC(C)C","CCN(CC)C(=O)CC(C)C",{"$nulls":4},157.146664228,"?"]
[2027,"CN1CSC(=S)N(C)C1","533-74-4","CN1CSC(=S)N(C)C1","CN1CN(C(SC1)=S)C",{"$nulls":4},162.02854032,"?"]
[2028,"OC(CI)CI","534-08-7","OC(CI)CI","OC(CI)CI",{"$nulls":4},311.8508108120002,"?"]
[2029,"CNC(=S)NC","534-13-4","CNC(=S)NC","CNC(=S)NC",{"$nulls":4},104.04081925599999,"?"]
[2030,"COC(C)OC","534-15-6","COC(C)OC","COC(C)OC",{"$nulls":4},90.06807956,"?"]
[2031,"Cc1occc1","534-22-5","Cc1ccco1","Cc1occc1",{"$nulls":4},82.041864812,"?"]
[2032,"Cc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O","534-52-1","Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","Cc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",{"$nulls":4},198.027671292,"?"]
[2033,"CCCCC(C(O)=O)C(O)=O","534-59-8","CCCCC(C(=O)O)C(=O)O","CCCCC(C(=O)O)C(=O)O",{"$nulls":4},160.073558864,"?"]
[2034,"CC(C)(C)c1sc(N[S](=O)(=O)c2ccc(N)cc2)nn1","535-65-9","CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CC(C)(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},312.0714677520005,"?"]
[2035,"CC(C)c1cccc(C)c1","535-77-3","Cc1cccc(C(C)C)c1","Cc1cc(ccc1)C(C)C",{"$nulls":4},134.109550448,"?"]
[2036,"OC(=O)c1cccc(Cl)c1","535-80-8","O=C(O)c1cccc(Cl)c1","O=C(O)c1cc(ccc1)Cl",{"$nulls":4},155.99780708,"?"]
[2037,"[Cl-].[Cl-].[NH3+]c1cc([NH3+])cc(c1)C(O)=O","535-87-5","[NH3+]c1cc([NH3+])cc(C(=O)O)c1","Nc1cc(cc(c1)N)C(=O)O","[Cl-]","[Cl-]",null,null,224.01193292,"Structure has been neutralized"]
[2038,"CN(C)c1cc(C)nc(Cl)n1","535-89-7","Cc1cc(N(C)C)nc(Cl)n1","Cc1nc(nc(c1)N(C)C)Cl",{"$nulls":4},171.056325,"?"]
[2039,"OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1","536-08-3","O=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1","O=C(O)c1cc(c(c(c1)O)O)OC(=O)c2cc(c(c(c2)O)O)O",{"$nulls":4},322.0324819000003,"?"]
[2040,"CC(C)c1ccc(cc1)C(O)=O","536-66-3","CC(C)c1ccc(C(=O)O)cc1","CC(C)c1ccc(cc1)C(=O)O",{"$nulls":4},164.083729624,"?"]
[2041,"C#Cc1ccccc1","536-74-3","C#Cc1ccccc1","C#Cc1ccccc1",{"$nulls":4},102.046950192,"?"]
[2042,"CCc1ccncc1","536-75-4","CCc1ccncc1","CCc1ccncc1",{"$nulls":4},107.073499288,"?"]
[2043,"CCc1cccnc1","536-78-7","CCc1cccnc1","CCc1cnccc1",{"$nulls":4},107.073499288,"?"]
[2044,"O=[I]c1ccccc1","536-80-1","O=[IH2]c1ccccc1","O=Ic1ccccc1",{"$nulls":4},219.93851278,"?"]
[2045,"CN1C2CCC1CC(C2)OC(=O)c3ccccc3","537-26-8","CN1C2CCC1CC(OC(=O)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)c3ccccc3",{"$nulls":4},245.141578848,"?"]
[2046,"ClN=C1C=C(Br)C(=O)C(=C1)Br","537-45-1","O=C1C(Br)=CC(=NCl)C=C1Br","O=C1C(=CC(C=C1Br)=NCl)Br",{"$nulls":4},296.81916556400006,"?"]
[2047,"NNC(=O)Nc1ccccc1","537-47-3","NNC(=O)Nc1ccccc1","NNC(=O)Nc1ccccc1",{"$nulls":4},151.074561908,"?"]
[2048,"CN[CH](Cc1ccc(O)cc1)C(O)=O","537-49-5","CNC(Cc1ccc(O)cc1)C(=O)O","CNC(Cc1ccc(cc1)O)C(=O)O",{"$nulls":4},195.089543276,"?"]
[2049,"CC(=O)Nc1cccc(C)c1","537-92-8","CC(=O)Nc1cccc(C)c1","CC(=O)Nc1cc(ccc1)C",{"$nulls":4},149.084063972,"?"]
[2050,"CCN(CCCl)CCCl","538-07-8","CCN(CCCl)CCCl","CCN(CCCl)CCCl",{"$nulls":4},169.042504776,"?"]
[2051,"NC(=O)NCc1ccccc1","538-32-9","NC(=O)NCc1ccccc1","NC(=O)NCc1ccccc1",{"$nulls":4},150.07931294,"?"]
[2052,"CCCCOC(=O)C=Cc1ccccc1","538-65-8","CCCCOC(=O)C=Cc1ccccc1","CCCCOC(=O)C=Cc1ccccc1",{"$nulls":4},204.115029752,"?"]
[2053,"CCCCCc1ccccc1","538-68-1","CCCCCc1ccccc1","CCCCCc1ccccc1",{"$nulls":4},148.125200512,"?"]
[2054,"COCc1ccccc1","538-86-3","COCc1ccccc1","COCc1ccccc1",{"$nulls":4},122.07316494,"?"]
[2055,"CC(C)Cc1ccccc1","538-93-2","CC(C)Cc1ccccc1","CC(C)Cc1ccccc1",{"$nulls":4},134.109550448,"?"]
[2056,"CC(=O)Nc1ccc(Cl)cc1","539-03-7","CC(=O)Nc1ccc(Cl)cc1","CC(=O)Nc1ccc(cc1)Cl",{"$nulls":4},169.029441556,"?"]
[2057,"CN(C)CCc1ccc(O)cc1.O[S](O)(=O)=O","539-15-1","CN(C)CCc1ccc(O)cc1","CN(C)CCc1ccc(cc1)O","OS(O)(=O)=O",{"$nulls":3},263.082743644,"?"]
[2058,"CN(C)c1ccc(cc1)N=Nc2ccc(N)cc2","539-17-3","CN(C)c1ccc(N=Nc2ccc(N)cc2)cc1","CN(C)c1ccc(cc1)N=Nc2ccc(cc2)N","C.I",{"$nulls":3},384.08109467199995,"?"]
[2059,"OC(=O)C=Cc1occc1","539-47-9","O=C(O)C=Cc1ccco1","O=C(O)C=Cc1occc1",{"$nulls":4},138.031694052,"?"]
[2060,"CCCCC(=O)OCC","539-82-2","CCCCC(=O)OCC","CCCCC(=O)OCC",{"$nulls":4},130.099379688,"?"]
[2061,"C=CCS[S](=O)CC=C","539-86-6","C=CCSS(=O)CC=C","C=CCSS(=O)CC=C",{"$nulls":4},162.01730694,"?"]
[2062,"CCOC(=O)NCC(C)C","539-89-9","CCOC(=O)NCC(C)C","CCOC(=O)NCC(C)C",{"$nulls":4},145.11027872,"?"]
[2063,"CCCCCOC(=O)CCC","540-18-1","CCCCCOC(=O)CCC","CCCCCOC(=O)CCC",{"$nulls":4},158.130679816,"?"]
[2064,"Fc1ccc(F)cc1","540-36-3","Fc1ccc(F)cc1","Fc1ccc(cc1)F",{"$nulls":4},114.028106568,"?"]
[2065,"CCC(=O)OCC(C)C","540-42-1","CCC(=O)OCC(C)C","CCC(=O)OCC(C)C",{"$nulls":4},130.099379688,"?"]
[2066,"COC1CC1","540-47-6","COC1CC1","COC1CC1",{"$nulls":4},72.057514876,"?"]
[2067,"BrC=CBr","540-49-8","BrC=CBr","BrC=CBr",{"$nulls":4},183.852324264,"?"]
[2068,"OCCBr","540-51-2","OCCBr","OCCBr",{"$nulls":4},123.95237688,"?"]
[2069,"CCCCl","540-54-5","CCCCl","CCCCl",{"$nulls":4},78.023627904,"?"]
[2070,"ClC=CCl","540-59-0","ClC=CCl","ClC=CCl",{"$nulls":4},95.953355424,"?"]
[2071,"CCOC","540-67-0","CCOC","CCOC",{"$nulls":4},60.057514876,"?"]
[2072,"CNNC","540-73-8","CNNC","CNNC",{"$nulls":4},60.06874825599999,"?"]
[2073,"CC(C)CC(C)(C)C","540-84-1","CC(C)CC(C)(C)C","CC(C)CC(C)(C)C",{"$nulls":4},114.14085057599999,"?"]
[2074,"CC(=O)OC(C)(C)C","540-88-5","CC(=O)OC(C)(C)C","CC(=O)OC(C)(C)C",{"$nulls":4},116.083729624,"?"]
[2075,"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","540-97-6","C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C",{"$nulls":4},444.11274805200094,"?"]
[2076,"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","541-02-6","C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C",{"$nulls":4},370.0939567100008,"?"]
[2077,"O.O.CC(O|[U](|OC(C)=O)(=O)=O)=O","541-09-3",{"$nulls":7},""]
[2078,"ClC=C[As](Cl)Cl","541-25-3","ClC=C[As](Cl)Cl","ClC=C[As](Cl)Cl",{"$nulls":4},205.843804604,"Errors in neutralization"]
[2079,"CCCC(Cl)Cl","541-33-3","CCCC(Cl)Cl","CCCC(Cl)Cl",{"$nulls":4},126.00030561599999,"?"]
[2080,"CCCC(N)=O","541-35-5","CCCC(N)=O","CCCC(N)=O",{"$nulls":4},87.068413908,"?"]
[2081,"[Ba++].[O-]C=O.[O-]C=O","541-43-5","[Ba+2]","[Ba+2]","[O-]C=O","[O-]C=O",null,null,227.900555744,"?"]
[2082,"CC(N)CC(O)=O","541-48-0","CC(N)CC(=O)O","CC(N)CC(=O)O",{"$nulls":4},103.063328528,"?"]
[2083,"CC(=O)CC(O)=O","541-50-4","CC(=O)CC(=O)O","CC(=O)CC(=O)O",{"$nulls":4},102.031694052,"?"]
[2084,"NC(=S)NC(N)=S","541-53-7","NC(=S)NC(N)=S","NC(=S)NC(N)=S",{"$nulls":4},134.99248916,"?"]
[2085,"Clc1cccc(Cl)c1","541-73-1","Clc1cccc(Cl)c1","Clc1cc(ccc1)Cl",{"$nulls":4},145.969005488,"?"]
[2086,null,"541-89-9",{"$nulls":7},""]
[2087,"CCCC(C)OC(N)=O","541-95-7","CCCC(C)OC(N)=O","CCCC(C)OC(N)=O",{"$nulls":4},131.094628656,"?"]
[2088,"CC1=CC(=O)CC(=O)O1","541-98-0","CC1=CC(=O)CC(=O)O1","CC=1OC(CC(C1)=O)=O",{"$nulls":4},126.031694052,"?"]
[2089,"ClC1CCCCC1","542-18-7","ClC1CCCCC1","ClC1CCCCC1",{"$nulls":4},118.05492803199999,"?"]
[2090,"NC(CCCC(O)=O)C(O)=O","542-32-5","NC(CCCC(=O)O)C(=O)O","NC(CCCC(=O)O)C(=O)O",{"$nulls":4},161.068807832,"?"]
[2091,"CC(C)COC=O","542-55-2","CC(C)COC=O","CC(C)COC=O",{"$nulls":4},102.06807956,"?"]
[2092,"CCCCI","542-69-8","CCCCI","CCCCI",{"$nulls":4},183.974898288,"?"]
[2093,"ClCC=CCl","542-75-6","ClC=CCCl","ClC=CCCl",{"$nulls":4},109.969005488,"?"]
[2094,"ClCOCCl","542-88-1","ClCOCCl","ClCOCCl",{"$nulls":4},113.963920108,"?"]
[2095,"C1C=CC=C1","542-92-7","C1=CCC=C1","C=1C=CCC1",{"$nulls":4},66.046950192,"?"]
[2096,"NC(N)=NCC[S](O)(=O)=O","543-18-0","NC(N)=NCCS(=O)(=O)O","NC(N)=NCCS(=O)(=O)O",{"$nulls":4},167.036462148,"?"]
[2097,"CC(=O)NCC(O)=O","543-24-8","CC(=O)NCC(=O)O","CC(=O)NCC(=O)O",{"$nulls":4},117.042593084,"?"]
[2098,"CC(C)COC(N)=O","543-28-2","CC(C)COC(N)=O","CC(C)COC(N)=O",{"$nulls":4},117.078978592,"?"]
[2099,"CC(C)CO[N+]([O-])=O","543-29-3","CC(C)CO[N+](=O)[O-]","CC(C)CO[N+](=O)[O-]",{"$nulls":4},119.058243148,"?"]
[2100,"CCCCCC(C)O","543-49-7","CCCCCC(C)O","CCCCCC(C)O",{"$nulls":4},116.120115132,"?"]
[2101,"CCCCCCl","543-59-9","CCCCCCl","CCCCCCl",{"$nulls":4},106.05492803199999,"?"]
[2102,"[Ba++].CC([O-])=O.CC([O-])=O","543-80-6","[Ba+2]","[Ba+2]","CC([O-])=O","CC([O-])=O",null,null,255.931855872,"?"]
[2103,"CC(C)CCOC(N)=O","543-86-2","CC(C)CCOC(N)=O","CC(C)CCOC(N)=O",{"$nulls":4},131.094628656,"?"]
[2104,"CC(C)CCO[N+]([O-])=O","543-87-3","CC(C)CCO[N+](=O)[O-]","CC(C)CCO[N+](=O)[O-]",{"$nulls":4},133.073893212,"?"]
[2105,"[Sr++].CC([O-])=O.CC([O-])=O","543-94-2","[Sr+2]","[Sr+2]","CC([O-])=O","CC([O-])=O",null,null,205.93222077200002,"?"]
[2106,"CC(C)CCOCCC(C)C","544-01-4","CC(C)CCOCCC(C)C","CC(C)CCOCCC(C)C",{"$nulls":4},158.167065324,"?"]
[2107,"CCCCCCCl","544-10-5","CCCCCCCl","CCCCCCCl",{"$nulls":4},120.07057809599999,"?"]
[2108,"N#CCCCC#N","544-13-8","N#CCCCC#N","N#CCCCC#N",{"$nulls":4},94.053098192,"?"]
[2109,"C1C=CC=CC=C1","544-25-2","C1=CC=CCC=C1","C=1C=CCC=CC1",{"$nulls":4},92.062600256,"?"]
[2110,"CCCCCCCCCCCCCC(O)=O","544-63-8","CCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCC(=O)O",{"$nulls":4},228.208930136,"?"]
[2111,"CCCCCCCCCCCCCCCC","544-76-3","CCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCC",{"$nulls":4},226.26605108799998,"?"]
[2112,"NC(=O)N[S](=O)(=O)c1ccc(N)cc1","547-44-4","NC(=O)NS(=O)(=O)c1ccc(N)cc1","NC(=O)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},215.036462148,"?"]
[2113,"Nc1ccc(cc1)[S](=O)(=O)Nc2ccc(cc2)[S](N)(=O)=O","547-52-4","Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)S(N)(=O)=O",{"$nulls":4},327.03474789600034,"?"]
[2114,"COC(=O)C(C)O","547-64-8","COC(=O)C(C)O","COC(=O)C(C)O",{"$nulls":4},104.047344116,"?"]
[2115,"C=C1CCOC1=O","547-65-9","C=C1CCOC1=O","C=C1C(OCC1)=O",{"$nulls":4},98.036779432,"?"]
[2116,"C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)[CH](O)[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C","547-75-1","CC(CCC(=O)O)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(C(C3O)O)CC(O)CC4)C)CC2)C",{"$nulls":4},408.2875743800011,"?"]
[2117,"CCOC(=O)C(C1=C(O)Oc2ccccc2C1=O)C3=C(O)Oc4ccccc4C3=O","548-00-5","CCOC(=O)C(c1c(O)oc2ccccc2c1=O)c1c(O)oc2ccccc2c1=O","CCOC(=O)C(c1c(c2c(oc1O)cccc2)=O)c3c(c4c(oc3O)cccc4)=O",{"$nulls":4},408.0845174720004,"?"]
[2118,"COC(=O)C1=CO[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH]3[CH](C)CC(=O)[CH]13","548-37-8","COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12","COC(=O)C=1C2C(C(OC1)OC3C(C(C(C(O3)CO)O)O)O)C(C)CC2=O",{"$nulls":4},388.13694696800064,"?"]
[2119,"CC(C)c1ccc(C)c(C(O)=O)c1O","548-51-6","Cc1ccc(C(C)C)c(O)c1C(=O)O","Cc1c(c(c(cc1)C(C)C)O)C(=O)O",{"$nulls":4},194.094294308,"?"]
[2120,"COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1.O[S](O)(=O)=O","549-56-4","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","OS(O)(=O)=O",{"$nulls":3},422.15115755200065,"?"]
[2121,"N1C(C(N=C1c2occc2)c3occc3)c4occc4","550-23-2","c1coc(C2=NC(c3ccco3)C(c3ccco3)N2)c1","c1cc(oc1)C=2NC(C(N2)c3occc3)c4occc4",{"$nulls":4},268.0847922440003,"?"]
[2122,"CN1C(=O)C=C(N)N(CC(C)=C)C1=O","550-28-7","C=C(C)Cn1c(N)cc(=O)n(C)c1=O","C=C(C)Cn1c(n(c(cc1N)=O)C)=O",{"$nulls":4},195.100776656,"?"]
[2123,"OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cncnc23","550-33-4","OCC1OC(n2cnc3cncnc32)C(O)C1O","OCC1C(C(C(O1)n2c3c(nc2)cncn3)O)O",{"$nulls":4},252.085854864,"?"]
[2124,"Oc1ccc2ccccc2c1[N+]([O-])=O","550-60-7","O=[N+]([O-])c1c(O)ccc2ccccc12","O=[N+]([O-])c1c2c(ccc1O)cccc2",{"$nulls":4},189.042593084,"?"]
[2125,"CC1=NN(c2ccc(cc2)[N+]([O-])=O)C(=O)C1[N+]([O-])=O","550-74-3","CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1[N+](=O)[O-]","CC=1C(C(N(N1)c2ccc(cc2)[N+](=O)[O-])=O)[N+](=O)[O-]",{"$nulls":4},264.0494693560002,"?"]
[2126,"S=C=Nc1cccc2ccccc12","551-06-4","S=C=Nc1cccc2ccccc12","S=C=Nc1c2c(ccc1)cccc2",{"$nulls":4},185.029920224,"?"]
[2127,"[H+].[H+].[Cl-].[Cl-].NCCNc1cccc2ccccc12","551-09-7","NCCNc1cccc2ccccc12","NCCNc1c2c(ccc1)cccc2","[Cl-]","[Cl-]","[H+]","[H+]",258.069053872,"?"]
[2128,"Cc1c(Cl)cc(Cl)c(O)c1Cl","551-76-8","Cc1c(Cl)cc(Cl)c(O)c1Cl","Cc1c(c(c(cc1Cl)Cl)O)Cl",{"$nulls":4},209.94059782,"?"]
[2129,"OC(=O)c1ccccc1[N+]([O-])=O","552-16-9","O=C(O)c1ccccc1[N+](=O)[O-]","O=C(O)c1c(cccc1)[N+](=O)[O-]",{"$nulls":4},167.02185764,"?"]
[2130,"CC(=O)Nc1ccccc1[N+]([O-])=O","552-32-9","CC(=O)Nc1ccccc1[N+](=O)[O-]","CC(=O)Nc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},180.053492116,"?"]
[2131,"Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccc(O)c(O)c3","552-58-9","O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21","O=C1c2c(OC(C1)c3cc(c(cc3)O)O)cc(O)cc2O",{"$nulls":4},288.06338810400035,"?"]
[2132,"OCC(C(O)=O)c1ccccc1","552-63-6","O=C(O)C(CO)c1ccccc1","O=C(O)C(CO)c1ccccc1",{"$nulls":4},166.06299418,"?"]
[2133,"CN1C2CCCC1CC(=O)C2","552-70-5","CN1C2CCCC1CC(=O)C2","CN1C2CCCC1CC(C2)=O",{"$nulls":4},153.1153641,"?"]
[2134,"[O-][N+](=O)c1ccccc1C=O","552-89-6","O=Cc1ccccc1[N+](=O)[O-]","O=Cc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},151.02694302,"?"]
[2135,"c1cc(ccn1)c2ccncc2","553-26-4","c1cc(-c2ccncc2)ccn1","c1nccc(c1)-c2ccncc2",{"$nulls":4},156.068748256,"?"]
[2136,"NNC(=O)c1cccnc1","553-53-7","NNC(=O)c1cccnc1","NNC(=O)c1cnccc1",{"$nulls":4},137.058911844,"?"]
[2137,"CCCOc1ccc(cc1N)[N+]([O-])=O","553-79-7","CCCOc1ccc([N+](=O)[O-])cc1N","CCCOc1c(cc(cc1)[N+](=O)[O-])N",{"$nulls":4},196.084792244,"?"]
[2138,"COC(=O)C(=O)OC","553-90-2","COC(=O)C(=O)OC","COC(=O)C(=O)OC",{"$nulls":4},118.02660867200001,"?"]
[2139,"Nc1ccc(Cl)cc1Cl","554-00-7","Nc1ccc(Cl)cc1Cl","Nc1c(cc(cc1)Cl)Cl",{"$nulls":4},160.97990452,"?"]
[2140,"CC1=C(N)NC(=O)N=C1","554-01-8","Cc1cnc(=O)[nH]c1N","Cc1c([nH]c(nc1)=O)N",{"$nulls":4},125.058911844,"?"]
[2141,"CCC(=O)OC","554-12-1","CCC(=O)OC","CCC(=O)OC",{"$nulls":4},88.052429496,"?"]
[2142,"CN1N=C(SC1=NC(C)=O)[S](N)(=O)=O","554-57-4","CC(=O)N=c1sc(S(N)(=O)=O)nn1C","CC(=O)N=c1n(nc(s1)S(N)(=O)=O)C",{"$nulls":4},236.003782116,"?"]
[2143,"Oc1cccc(c1)[N+]([O-])=O","554-84-7","O=[N+]([O-])c1cccc(O)c1","O=[N+]([O-])c1cc(ccc1)O",{"$nulls":4},139.02694302,"?"]
[2144,"OC(=O)c1cc(cc(c1)C(O)=O)C(O)=O","554-95-0","O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O",{"$nulls":4},210.01643791200001,"?"]
[2145,"COc1cccc(c1)[N+]([O-])=O","555-03-3","COc1cccc([N+](=O)[O-])c1","COc1cc(ccc1)[N+](=O)[O-]",{"$nulls":4},153.042593084,"?"]
[2146,"[O-][N+](=O)c1ccc(C=O)cc1","555-16-8","O=Cc1ccc([N+](=O)[O-])cc1","O=Cc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},151.02694302,"?"]
[2147,"C[C](N)(Cc1ccc(O)c(O)c1)C(O)=O","555-30-6","CC(N)(Cc1ccc(O)c(O)c1)C(=O)O","CC(N)(Cc1cc(c(cc1)O)O)C(=O)O",{"$nulls":4},211.084457896,"?"]
[2148,"CCCCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1","555-37-3","CCCCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1","CCCCN(C)C(=O)Nc1cc(c(cc1)Cl)Cl",{"$nulls":4},274.0639684920004,"?"]
[2149,"OC(=O)C=CC(=O)Nc1ccccc1","555-59-9","O=C(O)C=CC(=O)Nc1ccccc1","O=C(O)C=CC(=O)Nc1ccccc1",{"$nulls":4},191.058243148,"?"]
[2150,"[H+].[Cl-].ClCCN(CCCl)CCCl","555-77-1","ClCCN(CCCl)CCCl","ClCCN(CCCl)CCCl","[Cl-]","[H+]",null,null,238.98021013599998,"?"]
[2151,"[O-][N+](=O)c1oc(cc1)C=NN2CCNC2=O","555-84-0","O=C1NCCN1N=Cc1ccc([N+](=O)[O-])o1","O=C1N(CCN1)N=Cc2oc(cc2)[N+](=O)[O-]",{"$nulls":4},224.054554736,"?"]
[2152,"[H+].[Cl-].NNCc1ccccc1","555-96-4","NNCc1ccccc1","NNCc1ccccc1","[Cl-]","[H+]",null,null,158.061076032,"?"]
[2153,"N[CH](Cc1ccc(O)cc1)C(O)=O","556-02-5","NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",{"$nulls":4},181.073893212,"?"]
[2154,"NC(Cc1ccc(O)cc1)C(O)=O","556-03-6","NC(Cc1ccc(O)cc1)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",{"$nulls":4},181.073893212,"?"]
[2155,"NCC(=O)NCC(=O)NCC(O)=O","556-33-2","NCC(=O)NCC(=O)NCC(=O)O","NCC(=O)NCC(=O)NCC(=O)O",{"$nulls":4},189.074955832,"?"]
[2156,"[Zn++].CCCCC([O-])=O.CCCCC([O-])=O","556-38-7","CCCCC(=O)[O-]","CCCCC(=O)O","CCCCC([O-])=O","[Zn+2]",null,null,266.049651256,"Structure has been neutralized"]
[2157,"[H+].[Cl-].NCC(=O)NCC(O)=O","556-50-3","NCC(=O)NCC(=O)O","NCC(=O)NCC(=O)O","[Cl-]","[H+]",null,null,168.030169828,"?"]
[2158,"OCC1CO1","556-52-5","OCC1CO1","OCC1OC1",{"$nulls":4},74.036779432,"?"]
[2159,"CN=C=S","556-61-6","CN=C=S","CN=C=S",{"$nulls":4},72.998620096,"?"]
[2160,"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","556-67-2","C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1","C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)C",{"$nulls":4},296.0751653680006,"?"]
[2161,"NC(N)=N[N+]([O-])=O","556-88-7","NC(N)=N[N+](=O)[O-]","NC(N)=N[N+](=O)[O-]",{"$nulls":4},104.033425368,"?"]
[2162,"O=C1NC=CC=N1","557-01-7","O=c1nccc[nH]1","O=c1[nH]cccn1",{"$nulls":4},96.032362748,"?"]
[2163,"CCCOC","557-17-5","CCCOC","CCCOC",{"$nulls":4},74.07316494,"?"]
[2164,"CCCC(=O)OCC(O)CO","557-25-5","CCCC(=O)OCC(O)CO","CCCC(=O)OCC(O)CO",{"$nulls":4},162.089208928,"?"]
[2165,"[Zn++].CCC([O-])=O.CCC([O-])=O","557-28-8","CCC(=O)[O-]","CCC(=O)O","CCC([O-])=O","[Zn+2]",null,null,209.987051,"Structure has been neutralized"]
[2166,"[Zn++].CC([O-])=O.CC([O-])=O","557-34-6","[Zn+2]","[Zn+2]","CC([O-])=O","CC([O-])=O",null,null,181.955750872,"?"]
[2167,"C=CCOCC=C","557-40-4","C=CCOCC=C","C=CCOCC=C",{"$nulls":4},98.07316494,"?"]
[2168,"[Zn++].[O-]C=O.[O-]C=O","557-41-5","[Zn+2]","[Zn+2]","[O-]C=O","[O-]C=O",null,null,153.924450744,"?"]
[2169,"BrC(Br)(Br)Br","558-13-4","BrC(Br)(Br)Br","BrC(Br)(Br)Br",{"$nulls":4},327.6733484,"?"]
[2170,"C[S](F)(=O)=O","558-25-8","CS(=O)(=O)F","CS(=O)(=O)F",{"$nulls":4},97.983778556,"?"]
[2171,"CC1(C)CO1","558-30-5","CC1(C)CO1","CC1(OC1)C",{"$nulls":4},72.057514876,"?"]
[2172,"CC(C)(O)CCl","558-42-9","CC(C)(O)CCl","CC(C)(O)CCl",{"$nulls":4},108.034192588,"?"]
[2173,"[O-][N+](=O)C(Br)([N+]([O-])=O)[N+]([O-])=O","560-95-2","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},228.89704682,"Errors in neutralization"]
[2174,"CN1CC[C]23[CH]4Oc5c(OC(C)=O)ccc(C[CH]1[CH]2C=C[CH]4OC(C)=O)c35","561-27-3","CC(=O)Oc1ccc2c3c1OC1C(OC(C)=O)C=CC4C(C2)N(C)CCC341","CC(=O)Oc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)OC(C)=O",{"$nulls":4},369.1576228360006,"?"]
[2175,"CCC(C)(C)CC","562-49-2","CCC(C)(C)CC","CCC(C)(C)CC",{"$nulls":4},100.12520051199999,"?"]
[2176,"CCO[P](=S)(OCC)SCS[P](=S)(OCC)OCC","563-12-2","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC",{"$nulls":4},383.98761644400054,"?"]
[2177,"CC(C)C=C","563-45-1","C=CC(C)C","C=CC(C)C",{"$nulls":4},70.07825032,"?"]
[2178,"CCC(C)=C","563-46-2","C=C(C)CC","C=C(C)CC",{"$nulls":4},70.07825032,"?"]
[2179,"CC(=C)CCl","563-47-3","C=C(C)CCl","C=C(C)CCl",{"$nulls":4},90.023627904,"?"]
[2180,"CC(Cl)=CCl","563-54-2","CC(Cl)=CCl","CC(Cl)=CCl",{"$nulls":4},109.969005488,"?"]
[2181,"CC(C)C(C)=O","563-80-4","CC(=O)C(C)C","CC(=O)C(C)C",{"$nulls":4},86.07316494,"?"]
[2182,"CC(O)C(C)Cl","563-84-8","CC(O)C(C)Cl","CC(O)C(C)Cl",{"$nulls":4},108.034192588,"?"]
[2183,"C1O[CH]1[CH]2CO2","564-00-1","C1OC1C1CO1","C1C(O1)C2OC2",{"$nulls":4},86.036779432,"?"]
[2184,"CCC(C)C(C)(C)C","564-02-3","CCC(C)C(C)(C)C","CCC(C)C(C)(C)C",{"$nulls":4},114.14085057599999,"?"]
[2185,"O.O.[Cl-].C[CH]1[CH]2[CH](O)[CH]3[CH](N(C)C)C(=O)C(=C(N)O)C(=O)[C]3(O)C(=O)C2=C(O)c4c(O)cccc14.[H+]","564-25-0","CC1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(=O)C(=C(N)O)C(=O)C(N(C)C)C3C(O)C21","CC1C2C(=C(c3c1cccc3O)O)C(=O)C4(C(C(C(C(C4=O)=C(N)O)=O)N(C)C)C2O)O","[Cl-]","O","O","[H+]",516.1510728080007,"?"]
[2186,null,"565-07-1",{"$nulls":7},""]
[2187,"CC(=O)Nc1ccc(cc1)[S](=O)(=O)c2ccc(N)cc2","565-20-8","CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N",{"$nulls":4},290.0725133080004,"?"]
[2188,null,"565-50-4",{"$nulls":7},""]
[2189,"CCC(C)C(C)C","565-59-3","CCC(C)C(C)C","CCC(C)C(C)C",{"$nulls":4},100.12520051199999,"?"]
[2190,"CCC(C)C(C)O","565-60-6","CCC(C)C(C)O","CCC(C)C(C)O",{"$nulls":4},102.104465068,"?"]
[2191,"CCC(C)C(C)=O","565-61-7","CCC(C)C(C)=O","CCC(C)C(C)=O",{"$nulls":4},100.088815004,"?"]
[2192,"CCC(O)C(C)C","565-67-3","CCC(O)C(C)C","CCC(O)C(C)C",{"$nulls":4},102.104465068,"?"]
[2193,"CCC(=O)C(C)C","565-69-5","CCC(=O)C(C)C","CCC(=O)C(C)C",{"$nulls":4},100.088815004,"?"]
[2194,"NCC(O)C(O)=O","565-71-9","NCC(O)C(=O)O","NCC(O)C(=O)O",{"$nulls":4},105.042593084,"?"]
[2195,"CC(C)C(Br)C(O)=O","565-74-2","CC(C)C(Br)C(=O)O","CC(C)C(Br)C(=O)O",{"$nulls":4},179.978591628,"?"]
[2196,"CC(C)C(C)C(C)C","565-75-3","CC(C)C(C)C(C)C","CC(C)C(C)C(C)C",{"$nulls":4},114.14085057599999,"?"]
[2197,"CC(C)C(=O)C(C)C","565-80-0","CC(C)C(=O)C(C)C","CC(C)C(=O)C(C)C",{"$nulls":4},114.104465068,"?"]
[2198,null,"565-81-1",{"$nulls":7},""]
[2199,"COc1cc(cc(OC)c1O)[CH]2[CH]3[CH](COC3=O)Cc4c(O)c5OCOc5cc24","568-53-6","COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1O","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)O",{"$nulls":4},400.1158176000005,"?"]
[2200,"COc1ccc2COC(=O)c2c1OC","569-31-3","COc1ccc2c(c1OC)C(=O)OC2","COc1c(c2c(cc1)COC2=O)OC",{"$nulls":4},194.0579088,"?"]
[2201,"OC(=O)c1cccc(C(O)=O)c1C(O)=O","569-51-7","O=C(O)c1cccc(C(=O)O)c1C(=O)O","O=C(O)c1c(c(ccc1)C(=O)O)C(=O)O",{"$nulls":4},210.01643791200001,"?"]
[2202,"OC(=O)c1[nH]cnc1C(O)=O","570-22-9","O=C(O)c1nc[nH]c1C(=O)O","O=C(O)c1c([nH]cn1)C(=O)O",{"$nulls":4},156.017106608,"?"]
[2203,"Cc1ccc(C)c2ccccc12","571-58-4","Cc1ccc(C)c2ccccc12","Cc1c2c(c(cc1)C)cccc2",{"$nulls":4},156.093900384,"?"]
[2204,"Cc1cccc2c(C)cccc12","571-61-9","Cc1cccc2c(C)cccc12","Cc1c2c(ccc1)c(C)ccc2",{"$nulls":4},156.093900384,"?"]
[2205,"OC1C(O)C(O)C(O[P](O)(O)=O)C(O)C1O","573-35-3","O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O","O=P(O)(O)OC1C(C(C(C(C1O)O)O)O)O",{"$nulls":4},260.02971862600015,"?"]
[2206,"Oc1c(cccc1[N+]([O-])=O)[N+]([O-])=O","573-56-8","O=[N+]([O-])c1cccc([N+](=O)[O-])c1O","O=[N+]([O-])c1c(c(ccc1)[N+](=O)[O-])O",{"$nulls":4},184.012021228,"?"]
[2207,"O[S](=O)(=O)c1ccc(NN=C2C(=O)C=Cc3ccccc23)cc1","573-89-7","O=C1C=Cc2ccccc2C1=NNc1ccc(S(=O)(=O)O)cc1","O=C1C(c2c(C=C1)cccc2)=NNc3ccc(cc3)S(=O)(=O)O","C.I",{"$nulls":3},471.9953760240003,"?"]
[2208,"Cc1cc(C)c2ccccc2c1","575-41-7","Cc1cc(C)c2ccccc2c1","Cc1cc2c(c(c1)C)cccc2",{"$nulls":4},156.093900384,"?"]
[2209,"COCOC(=O)c1ccccc1O","575-82-6","COCOC(=O)c1ccccc1O","COCOC(=O)c1c(cccc1)O",{"$nulls":4},182.0579088,"?"]
[2210,"OC(=O)COc1c(Cl)cc(Cl)cc1Cl","575-89-3","O=C(O)COc1c(Cl)cc(Cl)cc1Cl","O=C(O)COc1c(cc(cc1Cl)Cl)Cl",{"$nulls":4},253.93042705999997,"?"]
[2211,"Oc1cccc(Cl)c1Cl","576-24-9","Oc1cccc(Cl)c1Cl","Oc1c(c(ccc1)Cl)Cl",{"$nulls":4},161.963920108,"?"]
[2212,"Cc1cccc(C)c1O","576-26-1","Cc1cccc(C)c1O","Cc1c(c(ccc1)C)O",{"$nulls":4},122.07316494,"?"]
[2213,null,"577-58-2",{"$nulls":7},""]
[2214,"CCOc1nc2N(C)C(=O)N(C)C(=O)c2n1C","577-66-2","CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C","CCOc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",{"$nulls":4},238.106590308,"?"]
[2215,"Oc1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O","577-71-9","O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]","O=[N+]([O-])c1c(cc(cc1)O)[N+](=O)[O-]",{"$nulls":4},184.012021228,"?"]
[2216,"Nc1cccc2nc3ccccc3cc12","578-06-3","Nc1cccc2nc3ccccc3cc12","Nc1c2c(ccc1)nc3c(cccc3)c2",{"$nulls":4},194.08439832,"?"]
[2217,"[O-]c1cccc2[nH+]cccc12","578-67-6","[O-]c1cccc2[nH+]cccc12","Oc1c2c(ccc1)nccc2",{"$nulls":4},145.052763844,"Structure has been neutralized"]
[2218,"CC(=O)C(=O)c1ccccc1","579-07-7","CC(=O)C(=O)c1ccccc1","CC(=O)C(=O)c1ccccc1",{"$nulls":4},148.052429496,"?"]
[2219,"CN(C(C)=O)c1ccccc1","579-10-2","CC(=O)N(C)c1ccccc1","CC(=O)N(C)c1ccccc1",{"$nulls":4},149.084063972,"?"]
[2220,"OC(C(O)c1ccccc1)c2ccccc2","579-43-1","OC(c1ccccc1)C(O)c1ccccc1","OC(c1ccccc1)C(O)c2ccccc2",{"$nulls":4},214.099379688,"?"]
[2221,"OC(c1ccccc1)C(=O)c2ccccc2","579-44-2","O=C(c1ccccc1)C(O)c1ccccc1","O=C(c1ccccc1)C(O)c2ccccc2",{"$nulls":4},212.083729624,"?"]
[2222,"CCc1cccc(CC)c1N","579-66-8","CCc1cccc(CC)c1N","CCc1c(c(ccc1)CC)N",{"$nulls":4},149.12044948,"?"]
[2223,"COc1ccccc1C(O)=O","579-75-9","COc1ccccc1C(=O)O","COc1c(cccc1)C(=O)O",{"$nulls":4},152.047344116,"?"]
[2224,"Brc1ccc2ccccc2c1","580-13-2","Brc1ccc2ccccc2c1","Brc1cc2c(cc1)cccc2",{"$nulls":4},205.973112324,"?"]
[2225,"Oc1ccc2ncccc2c1","580-16-5","Oc1ccc2ncccc2c1","Oc1cc2c(cc1)nccc2",{"$nulls":4},145.052763844,"?"]
[2226,"Oc1cnc2ccccc2c1","580-18-7","Oc1cnc2ccccc2c1","Oc1cc2c(nc1)cccc2",{"$nulls":4},145.052763844,"?"]
[2227,"[O-]c1ccc2ccc[nH+]c2c1","580-20-1","[O-]c1ccc2ccc[nH+]c2c1","Oc1cc2c(cc1)cccn2",{"$nulls":4},145.052763844,"Structure has been neutralized"]
[2228,"CCN(CC)c1nc(Cl)nc(n1)N(CC)CC","580-48-3","CCN(CC)c1nc(Cl)nc(N(CC)CC)n1","CCN(CC)c1nc(nc(n1)Cl)N(CC)CC",{"$nulls":4},257.14072332,"?"]
[2229,"Cc1cc2ccccc2cc1C","581-40-8","Cc1cc2ccccc2cc1C","Cc1c(cc2c(c1)cccc2)C",{"$nulls":4},156.093900384,"?"]
[2230,"Cc1ccc2cc(C)ccc2c1","581-42-0","Cc1ccc2cc(C)ccc2c1","Cc1cc2c(cc1)cc(C)cc2",{"$nulls":4},156.093900384,"?"]
[2231,"Oc1ccc2cc(O)ccc2c1","581-43-1","Oc1ccc2cc(O)ccc2c1","Oc1cc2c(cc1)cc(O)cc2",{"$nulls":4},160.052429496,"?"]
[2232,"C1N[CH](CC=C1)c2cccnc2","581-49-7","C1=CCC(c2cccnc2)NC1","C=1CNC(CC1)c2cnccc2",{"$nulls":4},160.100048384,"?"]
[2233,"c1ccc(nc1)c2cccnc2","581-50-0","c1ccc(-c2cccnc2)nc1","c1cnc(cc1)-c2cnccc2",{"$nulls":4},156.068748256,"?"]
[2234,"[O-][N+](=O)c1ccc2ccccc2c1","581-89-5","O=[N+]([O-])c1ccc2ccccc2c1","O=[N+]([O-])c1cc2c(cc1)cccc2",{"$nulls":4},173.047678464,"?"]
[2235,"CC1(C)OCC(O1)C2OC3OC(C)(C)OC3C2O","582-52-5","CC1(C)OCC(C2OC3OC(C)(C)OC3C2O)O1","CC1(OC(CO1)C2C(C3C(O2)OC(C)(C)O3)O)C",{"$nulls":4},260.1259883600001,"?"]
[2236,"S=C1Nc2cncnc2N1","583-40-4","S=c1[nH]c2cncnc2[nH]1","S=c1[nH]c2c([nH]1)cncn2",{"$nulls":4},152.015667128,"?"]
[2237,"[K+].[K+].[O-]C(=O)C([O-])=O","583-52-8","O=C([O-])C(=O)[O-]","O=C(O)C(=O)O","[K+]","[K+]",null,null,165.90707184000001,"Structure has been neutralized"]
[2238,"Brc1ccccc1Br","583-53-9","Brc1ccccc1Br","Brc1c(cccc1)Br",{"$nulls":4},233.867974328,"?"]
[2239,"CC1CCCCC1C","583-57-3","CC1CCCCC1C","CC1C(CCCC1)C",{"$nulls":4},112.12520051199999,"?"]
[2240,"Cc1ccncc1C","583-58-4","Cc1ccncc1C","Cc1c(cncc1)C",{"$nulls":4},107.073499288,"?"]
[2241,"Cc1cccnc1C","583-61-9","Cc1cccnc1C","Cc1c(nccc1)C",{"$nulls":4},107.073499288,"?"]
[2242,"Oc1cc(Cl)ccc1Cl","583-78-8","Oc1cc(Cl)ccc1Cl","Oc1c(ccc(c1)Cl)Cl",{"$nulls":4},161.963920108,"?"]
[2243,"CCC(O)CC","584-02-1","CCC(O)CC","CCC(O)CC",{"$nulls":4},88.088815004,"?"]
[2244,"CCC(O)CO","584-03-2","CCC(O)CO","CCC(O)CO",{"$nulls":4},90.06807956,"?"]
[2245,"CC(C)=CC1C(C(=O)OC2CC(=O)C(=C2C)CC=C)C1(C)C","584-79-2","C=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O","C=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",{"$nulls":4},302.1881946920007,"?"]
[2246,null,"584-98-5",{"$nulls":7},""]
[2247,null,"585-04-6",{"$nulls":7},""]
[2248,"CC(=C)C(=O)OC(C)(C)C","585-07-9","C=C(C)C(=O)OC(C)(C)C","C=C(C)C(=O)OC(C)(C)C",{"$nulls":4},142.099379688,"?"]
[2249,"CC(C)(C)c1cccc(O)c1","585-34-2","CC(C)(C)c1cccc(O)c1","CC(C)(C)c1cc(ccc1)O",{"$nulls":4},150.104465068,"?"]
[2250,"OC(=O)c1oc(Br)cc1","585-70-6","O=C(O)c1ccc(Br)o1","O=C(O)c1oc(cc1)Br",{"$nulls":4},189.926556056,"?"]
[2251,"OC(=O)c1cccc(Br)c1","585-76-2","O=C(O)c1cccc(Br)c1","O=C(O)c1cc(ccc1)Br",{"$nulls":4},199.9472915,"?"]
[2252,"[O-][N+](=O)c1cccc(Br)c1","585-79-5","O=[N+]([O-])c1cccc(Br)c1","O=[N+]([O-])c1cc(ccc1)Br",{"$nulls":4},200.942540468,"?"]
[2253,"OC(=O)CC(=CC(O)=O)C(O)=O","585-84-2","O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O",{"$nulls":4},174.01643791200001,"?"]
[2254,"OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO","585-86-4","OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO","OCC(O)C(O)C(OC1C(C(C(C(O1)CO)O)O)O)C(O)CO",{"$nulls":4},344.1318615880006,"?"]
[2255,"OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O","585-99-9","OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O",{"$nulls":4},342.11621152400056,"?"]
[2256,"Oc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O","586-11-8","O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1","O=[N+]([O-])c1cc(cc(c1)O)[N+](=O)[O-]",{"$nulls":4},184.012021228,"?"]
[2257,"OC(=O)c1ccc(C(O)=O)c(Br)c1","586-35-6","O=C(O)c1ccc(C(=O)O)c(Br)c1","O=C(O)c1cc(c(cc1)C(=O)O)Br",{"$nulls":4},243.93712074,"?"]
[2258,"CC(C)=C1CCC(=CC1)C","586-62-9","CC1=CCC(=C(C)C)CC1","CC=1CCC(CC1)=C(C)C",{"$nulls":4},136.125200512,"?"]
[2259,"OC(=O)c1ccc(Br)cc1","586-76-5","O=C(O)c1ccc(Br)cc1","O=C(O)c1ccc(cc1)Br",{"$nulls":4},199.9472915,"?"]
[2260,"COCc1oc(cc1)[N+]([O-])=O","586-84-5","COCc1ccc([N+](=O)[O-])o1","COCc1oc(cc1)[N+](=O)[O-]",{"$nulls":4},157.037507704,"?"]
[2261,"OCc1ccncc1","586-95-8","OCc1ccncc1","OCc1ccncc1",{"$nulls":4},109.052763844,"?"]
[2262,"NC(=O)OC(CCl)CCl","587-01-9","NC(=O)OC(CCl)CCl","NC(=O)OC(CCl)CCl",{"$nulls":4},170.985383824,"?"]
[2263,"Cc1cccc(CO)c1","587-03-1","Cc1cccc(CO)c1","Cc1cc(ccc1)CO",{"$nulls":4},122.07316494,"?"]
[2264,"CCCOC(=O)CN1C=C(I)C(=O)C(=C1)I","587-61-1","CCCOC(=O)Cn1cc(I)c(=O)c(I)c1","CCCOC(=O)Cn1cc(c(c(c1)I)=O)I",{"$nulls":4},446.88283921200025,"?"]
[2265,"OC(=O)COc1cc(Cl)cc(Cl)c1","587-64-4","O=C(O)COc1cc(Cl)cc(Cl)c1","O=C(O)COc1cc(cc(c1)Cl)Cl",{"$nulls":4},219.96939941199997,"?"]
[2266,"OC(=O)COc1ccc(Cl)c(Cl)c1","588-22-7","O=C(O)COc1ccc(Cl)c(Cl)c1","O=C(O)COc1cc(c(cc1)Cl)Cl",{"$nulls":4},219.96939941199997,"?"]
[2267,"OC(=O)COc1cccc(Cl)c1","588-32-9","O=C(O)COc1cccc(Cl)c1","O=C(O)COc1cc(ccc1)Cl",{"$nulls":4},186.00837176399997,"?"]
[2268,"c1ccc(cc1)C=Cc2ccccc2","588-59-0","C(=Cc1ccccc1)c1ccccc1","C(=Cc1ccccc1)c2ccccc2",{"$nulls":4},180.093900384,"?"]
[2269,"Cc1ccc(CO)cc1","589-18-4","Cc1ccc(CO)cc1","Cc1ccc(cc1)CO",{"$nulls":4},122.07316494,"?"]
[2270,"OCc1ccc(CO)cc1","589-29-7","OCc1ccc(CO)cc1","OCc1ccc(cc1)CO",{"$nulls":4},138.06807956,"?"]
[2271,"CCCC(C)CC","589-34-4","CCCC(C)CC","CCCC(C)CC",{"$nulls":4},100.12520051199999,"?"]
[2272,"CCC(C)CCO","589-35-5","CCC(C)CCO","CCC(C)CCO",{"$nulls":4},102.104465068,"?"]
[2273,"CCCC(=O)CC","589-38-8","CCCC(=O)CC","CCCC(=O)CC",{"$nulls":4},100.088815004,"?"]
[2274,"CCCC(O)CCC","589-55-9","CCCC(O)CCC","CCCC(O)CCC",{"$nulls":4},116.120115132,"?"]
[2275,"CCCCC(C)CC","589-81-1","CCCCC(C)CC","CCCCC(C)CC",{"$nulls":4},114.14085057599999,"?"]
[2276,"CCCCC(O)CC","589-82-2","CCCCC(O)CC","CCCCC(O)CC",{"$nulls":4},116.120115132,"?"]
[2277,"Brc1ccc(I)cc1","589-87-7","Brc1ccc(I)cc1","Brc1ccc(cc1)I",{"$nulls":4},281.8541102280001,"?"]
[2278,"CC1CCC(C)CC1","589-90-2","CC1CCC(C)CC1","CC1CCC(CC1)C",{"$nulls":4},112.12520051199999,"?"]
[2279,"CC1CCC(O)CC1","589-91-3","CC1CCC(O)CC1","CC1CCC(CC1)O",{"$nulls":4},114.104465068,"?"]
[2280,"Cc1ccc(C)nc1","589-93-5","Cc1ccc(C)nc1","Cc1cnc(cc1)C",{"$nulls":4},107.073499288,"?"]
[2281,null,"589-97-9",{"$nulls":7},""]
[2282,"CCCCOC(=O)CC","590-01-2","CCCCOC(=O)CC","CCCCOC(=O)CC",{"$nulls":4},130.099379688,"?"]
[2283,"BrC=CBr","590-11-4","BrC=CBr","BrC=CBr",{"$nulls":4},183.852324264,"?"]
[2284,"CC=CC","590-18-1","CC=CC","CC=CC",{"$nulls":4},56.062600255999996,"?"]
[2285,"IC=CI","590-26-1","IC=CI","IC=CI",{"$nulls":4},279.82459606400005,"?"]
[2286,"IC=CI","590-27-2","IC=CI","IC=CI",{"$nulls":4},279.82459606400005,"?"]
[2287,"[K+].[O-]C#N","590-28-3","N#C[O-]","N#CO","[K+]",{"$nulls":3},80.9616953,"Structure has been neutralized"]
[2288,"[K+].[O-]C=O","590-29-4","O=C[O-]","O=CO","[K+]",{"$nulls":3},83.961360952,"Structure has been neutralized"]
[2289,"CCCC(C)(C)C","590-35-2","CCCC(C)(C)C","CCCC(C)(C)C",{"$nulls":4},100.12520051199999,"?"]
[2290,"CCCC(C)(C)O","590-36-3","CCCC(C)(C)O","CCCC(C)(C)O",{"$nulls":4},102.104465068,"?"]
[2291,"[Cl-].CC(C[N+](C)(C)C)OC(N)=O","590-63-6","CC(C[N+](C)(C)C)OC(N)=O","CC(C[N+](C)(C)C)OC(N)=O","[Cl-]",{"$nulls":3},196.097855464,"?"]
[2292,"CCCCC(C)(C)C","590-73-8","CCCCC(C)(C)C","CCCCC(C)(C)C",{"$nulls":4},114.14085057599999,"?"]
[2293,"CC(C)CC=O","590-86-3","CC(C)CC=O","CC(C)CC=O",{"$nulls":4},86.07316494,"?"]
[2294,"NC(N)=NC(N)=O.NC(N)=NC(N)=O.O[S](O)(=O)=O","591-01-5","NC(=O)N=C(N)N","NC(=O)N=C(N)N","NC(N)=NC(N)=O","OS(O)(=O)=O",null,null,302.075701168,"?"]
[2295,"CC(=O)NC(N)=O","591-07-1","CC(=O)NC(N)=O","CC(=O)NC(N)=O",{"$nulls":4},102.042927432,"?"]
[2296,"CC(=O)NC(N)=S","591-08-2","CC(=O)NC(N)=S","CC(=O)NC(N)=S",{"$nulls":4},118.020083812,"?"]
[2297,"CC1=CCC(=O)O1","591-12-8","CC1=CCC(=O)O1","CC=1OC(CC1)=O",{"$nulls":4},98.036779432,"?"]
[2298,"Cc1cccc(Br)c1","591-17-3","Cc1cccc(Br)c1","Cc1cc(ccc1)Br",{"$nulls":4},169.973112324,"?"]
[2299,"Oc1cccc(Br)c1","591-20-8","Oc1cccc(Br)c1","Oc1cc(ccc1)Br",{"$nulls":4},171.95237688,"?"]
[2300,"Cc1cncc(C)c1","591-22-0","Cc1cncc(C)c1","Cc1cc(cnc1)C",{"$nulls":4},107.073499288,"?"]
[2301,"CC1CCCC(=O)C1","591-24-2","CC1CCCC(=O)C1","CC1CC(CCC1)=O",{"$nulls":4},112.088815004,"?"]
[2302,"Nc1cccc(O)c1","591-27-5","Nc1cccc(O)c1","Nc1cc(ccc1)O",{"$nulls":4},109.052763844,"?"]
[2303,"Oc1cc(Cl)cc(Cl)c1","591-35-5","Oc1cc(Cl)cc(Cl)c1","Oc1cc(cc(c1)Cl)Cl",{"$nulls":4},161.963920108,"?"]
[2304,"CC1=CCCCC1","591-49-1","CC1=CCCCC1","CC=1CCCCC1",{"$nulls":4},96.093900384,"?"]
[2305,"Ic1ccccc1","591-50-4","Ic1ccccc1","Ic1ccccc1",{"$nulls":4},203.94359816,"?"]
[2306,"CCCCC(C)C","591-76-4","CCCCC(C)C","CCCCC(C)C",{"$nulls":4},100.12520051199999,"?"]
[2307,"CCCCC(C)=O","591-78-6","CCCCC(C)=O","CCCCC(C)=O",{"$nulls":4},100.088815004,"?"]
[2308,"CC=NNC(N)=O","591-86-6","CC=NNC(N)=O","CC=NNC(N)=O",{"$nulls":4},101.058911844,"?"]
[2309,"CC(=O)OCC=C","591-87-7","C=CCOC(C)=O","C=CCOC(C)=O",{"$nulls":4},100.052429496,"?"]
[2310,"C=CCC=C","591-93-5","C=CCC=C","C=CCC=C",{"$nulls":4},68.062600256,"?"]
[2311,"CC=CCCl","591-97-9","CC=CCCl","CC=CCCl",{"$nulls":4},90.023627904,"?"]
[2312,"CCCCOC(N)=O","592-35-8","CCCCOC(N)=O","CCCCOC(N)=O",{"$nulls":4},117.078978592,"?"]
[2313,"CCCCC=C","592-41-6","C=CCCCC","C=CCCCC",{"$nulls":4},84.093900384,"?"]
[2314,"C=CCCC=C","592-42-7","C=CCCC=C","C=CCCC=C",{"$nulls":4},82.07825032,"?"]
[2315,"CCCCCC=C","592-76-7","C=CCCCCC","C=CCCCCC",{"$nulls":4},98.109550448,"?"]
[2316,"CCCCC=CC","592-77-8","CC=CCCCC","CC=CCCCC",{"$nulls":4},98.109550448,"?"]
[2317,"CCCCOC=O","592-84-7","CCCCOC=O","CCCCOC=O",{"$nulls":4},102.06807956,"?"]
[2318,"CCCCCCCCCCCCCCCCCC","593-45-3","CCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCC",{"$nulls":4},254.29735121599998,"?"]
[2319,"CF","593-53-3","CF","CF",{"$nulls":4},34.021878316,"?"]
[2320,"CC[AsH2]","593-59-9","CC[AsH2]","CC[AsH2]",{"$nulls":4},105.976371724,"Errors in neutralization"]
[2321,"FCCl","593-70-4","FCCl","FCCl",{"$nulls":4},67.982905964,"?"]
[2322,"C[Se]C","593-79-3","C[Se]C","C[Se]C",{"$nulls":4},109.963471492,"?"]
[2323,"CCC(C)(C)Cl","594-36-5","CCC(C)(C)Cl","CCC(C)(C)Cl",{"$nulls":4},106.05492803199999,"?"]
[2324,null,"594-47-8",{"$nulls":7},""]
[2325,"CC(C)C(C)(C)O","594-60-5","CC(C)C(C)(C)O","CC(C)C(C)(C)O",{"$nulls":4},102.104465068,"?"]
[2326,"NC(=O)C(Cl)(Cl)Cl","594-65-0","NC(=O)C(Cl)(Cl)Cl","NC(=O)C(Cl)(Cl)Cl",{"$nulls":4},160.920196724,"?"]
[2327,"CC(Cl)(Cl)[N+]([O-])=O","594-72-9","CC(Cl)(Cl)[N+](=O)[O-]","CC(Cl)(Cl)[N+](=O)[O-]",{"$nulls":4},142.954083696,"?"]
[2328,"CC(C)(C)C(C)(C)O","594-83-2","CC(C)(C)C(C)(C)O","CC(C)(C)C(C)(C)O",{"$nulls":4},116.120115132,"?"]
[2329,"CC(=O)O[C]1(CC[CH]2[CH]3C=C(C)C4=CC(=O)CC[C]4(C)[CH]3CC[C]12C)C(C)=O","595-33-5","CC(=O)OC1(C(C)=O)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C(C)=O",{"$nulls":4},384.23005950400085,"?"]
[2330,"[H+].[Cl-].CCC(C)(N)C(O)=O","595-39-1","CCC(C)(N)C(=O)O","CCC(C)(N)C(=O)O","[Cl-]","[H+]",null,null,153.055656304,"?"]
[2331,"CCC(C)(O)C(C)C","595-41-5","CCC(C)(O)C(C)C","CCC(C)(O)C(C)C",{"$nulls":4},116.120115132,"?"]
[2332,"CCC(Cl)(Cl)[N+]([O-])=O","595-44-8","CCC(Cl)(Cl)[N+](=O)[O-]","CCC(Cl)(Cl)[N+](=O)[O-]",{"$nulls":4},156.96973376,"?"]
[2333,"CC(C)(C(O)=O)C(O)=O","595-46-0","CC(C)(C(=O)O)C(=O)O","CC(C)(C(=O)O)C(=O)O",{"$nulls":4},132.042258736,"?"]
[2334,"CCC(CO)(CO)[N+]([O-])=O","597-09-1","CCC(CO)(CO)[N+](=O)[O-]","CCC(CO)(CO)[N+](=O)[O-]",{"$nulls":4},149.068807832,"?"]
[2335,"CC(C)(CO)C=O","597-31-9","CC(C)(C=O)CO","CC(C)(C=O)CO",{"$nulls":4},102.06807956,"?"]
[2336,null,"597-32-0",{"$nulls":7},""]
[2337,"CC[S](=O)(=O)CC","597-35-3","CCS(=O)(=O)CC","CCS(=O)(=O)CC",{"$nulls":4},122.04015056,"?"]
[2338,"CC(C)(CC(O)=O)C(O)=O","597-43-3","CC(C)(CC(=O)O)C(=O)O","CC(C)(CC(=O)O)C(=O)O",{"$nulls":4},146.0579088,"?"]
[2339,"CCC(O)(CC)CC","597-49-9","CCC(O)(CC)CC","CCC(O)(CC)CC",{"$nulls":4},116.120115132,"?"]
[2340,"NC(=O)CC(O)(CC(N)=O)C(N)=O","597-59-1","NC(=O)CC(O)(CC(N)=O)C(N)=O","NC(=O)CC(O)(CC(N)=O)C(N)=O",{"$nulls":4},189.074955832,"?"]
[2341,"CC(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O","597-71-7","CC(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O","CC(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O",{"$nulls":4},304.1158176000005,"?"]
[2342,"CCCC(C)(O)CC","597-96-6","CCCC(C)(O)CC","CCCC(C)(O)CC",{"$nulls":4},116.120115132,"?"]
[2343,"CCCC(C)(O)CCC","598-01-6","CCCC(C)(O)CCC","CCCC(C)(O)CCC",{"$nulls":4},130.135765196,"?"]
[2344,"CCCCC(C)(O)CC","598-06-1","CCCCC(C)(O)CC","CCCCC(C)(O)CC",{"$nulls":4},130.135765196,"?"]
[2345,"CC1(CCl)CO1","598-09-4","CC1(CCl)CO1","CC1(OC1)CCl",{"$nulls":4},106.018542524,"?"]
[2346,"ClC(Br)CBr","598-20-9","ClC(Br)CBr","ClC(Br)CBr",{"$nulls":4},219.829001976,"?"]
[2347,"CNC(N)=O","598-50-5","CNC(N)=O","CNC(N)=O",{"$nulls":4},74.048012812,"?"]
[2348,"COC(C)C","598-53-8","COC(C)C","COC(C)C",{"$nulls":4},74.07316494,"?"]
[2349,"COC(N)=O","598-55-0","COC(N)=O","COC(N)=O",{"$nulls":4},75.0320284,"?"]
[2350,"NC(=O)C(Br)Br","598-70-9","NC(=O)C(Br)Br","NC(=O)C(Br)Br",{"$nulls":4},214.858137916,"?"]
[2351,"CC(C)C(C)O","598-75-4","CC(C)C(C)O","CC(C)C(C)O",{"$nulls":4},88.088815004,"?"]
[2352,"CC(Cl)C(Cl)Cl","598-77-6","CC(Cl)C(Cl)Cl","CC(Cl)C(Cl)Cl",{"$nulls":4},145.9456832,"?"]
[2353,"CC(Cl)C(O)=O","598-78-7","CC(Cl)C(=O)O","CC(Cl)C(=O)O",{"$nulls":4},107.99780708,"?"]
[2354,"CC(O)C(O)=O","598-82-3","CC(O)C(=O)O","CC(O)C(=O)O",{"$nulls":4},90.031694052,"?"]
[2355,"CC(Cl)[N+]([O-])=O","598-92-5","CC(Cl)[N+](=O)[O-]","CC(Cl)[N+](=O)[O-]",{"$nulls":4},108.993056048,"?"]
[2356,"Cc1ccc(cc1)[S](=O)(=O)Oc2ccccc2C","599-75-7","Cc1ccc(S(=O)(=O)Oc2ccccc2C)cc1","Cc1ccc(cc1)S(=O)(=O)Oc2c(cccc2)C",{"$nulls":4},262.0663653080002,"?"]
[2357,null,"599-82-6",{"$nulls":7},""]
[2358,null,"599-84-8",{"$nulls":7},""]
[2359,"Cc1cnc(N[S](=O)(=O)c2ccc(N)cc2)nc1","599-88-2","Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1","Cc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},264.06809662400025,"?"]
[2360,"CCOC(OCC)C(Cl)(Cl)Cl","599-97-3","CCOC(OCC)C(Cl)(Cl)Cl","CCOC(OCC)C(Cl)(Cl)Cl",{"$nulls":4},219.982462632,"?"]
[2361,"CC=C(Cl)C(O)=O","600-13-5","CC=C(Cl)C(=O)O","CC=C(Cl)C(=O)O",{"$nulls":4},119.99780708,"?"]
[2362,"CCC(=O)C(C)=O","600-14-6","CCC(=O)C(C)=O","CCC(=O)C(C)=O",{"$nulls":4},100.052429496,"?"]
[2363,"CCC(Cl)[N+]([O-])=O","600-25-9","CCC(Cl)[N+](=O)[O-]","CCC(Cl)[N+](=O)[O-]",{"$nulls":4},123.008706112,"?"]
[2364,"CC(C)C(O)C(C)C","600-36-2","CC(C)C(O)C(C)C","CC(C)C(O)C(C)C",{"$nulls":4},116.120115132,"?"]
[2365,"CCC(C(O)=O)C(O)=O","601-75-2","CCC(C(=O)O)C(=O)O","CCC(C(=O)O)C(=O)O",{"$nulls":4},132.042258736,"?"]
[2366,"CC(C)N(N=O)C(C)C","601-77-4","CC(C)N(N=O)C(C)C","CC(C)N(N=O)C(C)C",{"$nulls":4},130.110613068,"?"]
[2367,"Oc1cccc(O)c1[N+]([O-])=O","601-89-8","O=[N+]([O-])c1c(O)cccc1O","O=[N+]([O-])c1c(cccc1O)O",{"$nulls":4},155.02185764,"?"]
[2368,"[O-][N+](=O)c1cccc2cccc(c12)[N+]([O-])=O","602-38-0","O=[N+]([O-])c1cccc2cccc([N+](=O)[O-])c12","O=[N+]([O-])c1c2c(ccc1)cccc2[N+](=O)[O-]",{"$nulls":4},218.032756672,"?"]
[2369,"[O-][N+](=O)c1c2ccccc2cc3ccccc13","602-60-8","O=[N+]([O-])c1c2ccccc2cc2ccccc12","O=[N+]([O-])c1c2c(cc3c1cccc3)cccc2",{"$nulls":4},223.063328528,"?"]
[2370,"[O-][N+](=O)c1ccc2CCc3cccc1c23","602-87-9","O=[N+]([O-])c1ccc2c3c(cccc13)CC2","O=[N+]([O-])c1c2c3c(cc1)CCc3ccc2",{"$nulls":4},199.063328528,"?"]
[2371,null,"602-92-6",{"$nulls":7},""]
[2372,"Cc1c(cc(c(O)c1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","602-99-3","Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c1[N+](=O)[O-]","Cc1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-]",{"$nulls":4},243.0127495,"?"]
[2373,"CC(O)Cn1cnc2N(C)C(=O)N(C)C(=O)c12","603-00-9","CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C","CC(O)Cn1c2c(nc1)n(c(n(c2=O)C)=O)C",{"$nulls":4},238.106590308,"?"]
[2374,"OC(=O)c1cccc(c1C(O)=O)[N+]([O-])=O","603-11-2","O=C(O)c1cccc([N+](=O)[O-])c1C(=O)O","O=C(O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O",{"$nulls":4},211.01168688,"?"]
[2375,"Oc1ccc(cc1)C(c2ccc(O)cc2)=C3C=CC(=O)C=C3","603-45-2","O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C=C1","O=C1C=CC(C=C1)=C(c2ccc(cc2)O)c3ccc(cc3)O",{"$nulls":4},290.09429430800037,"?"]
[2376,null,"603-63-4",{"$nulls":7},""]
[2377,"CCOC(=O)c1ccccc1C(=O)c2ccccc2","604-61-5","CCOC(=O)c1ccccc1C(=O)c1ccccc1","CCOC(=O)c1c(cccc1)C(=O)c2ccccc2",{"$nulls":4},254.094294308,"?"]
[2378,"CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O","604-69-3","CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O","CC(=O)OCC1C(C(C(C(O1)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O",{"$nulls":4},390.11621152400056,"?"]
[2379,"Oc1ccc2C(=O)c3ccccc3C(=O)c2c1","605-32-3","O=C1c2ccccc2C(=O)c2cc(O)ccc21","O=C1c2c(C(c3c1cccc3)=O)cc(O)cc2",{"$nulls":4},224.047344116,"?"]
[2380,"CC(C)OC(=O)c1ccccc1C(=O)OC(C)C","605-45-8","CC(C)OC(=O)c1ccccc1C(=O)OC(C)C","CC(C)OC(=O)c1c(cccc1)C(=O)OC(C)C",{"$nulls":4},250.120509056,"?"]
[2381,"[O-][N+](=O)c1cccc2c1cccc2[N+]([O-])=O","605-71-0","O=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12","O=[N+]([O-])c1c2c(ccc1)c([N+](=O)[O-])ccc2",{"$nulls":4},218.032756672,"?"]
[2382,"Cc1c(cccc1[N+]([O-])=O)[N+]([O-])=O","606-20-2","Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]","Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},182.032756672,"?"]
[2383,"COC(=O)c1ccccc1C(=O)c2ccccc2","606-28-0","COC(=O)c1ccccc1C(=O)c1ccccc1","COC(=O)c1c(cccc1)C(=O)c2ccccc2",{"$nulls":4},240.078644244,"?"]
[2384,"[O-][N+](=O)c1cc2C(=O)NC(=O)Nc2c(c1)[N+]([O-])=O","606-33-7","O=c1[nH]c(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[nH]1","O=c1[nH]c2c(c([nH]1)=O)cc([N+](=O)[O-])cc2[N+](=O)[O-]",{"$nulls":4},252.013083848,"?"]
[2385,"COc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","606-35-9","COc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},243.0127495,"?"]
[2386,"CN1C(=O)C=Cc2ccccc12","606-43-9","Cn1c(=O)ccc2ccccc21","Cn1c2c(ccc1=O)cccc2",{"$nulls":4},159.068413908,"?"]
[2387,"[O-][N+](=O)c1ccc2c(Cc3ccccc23)c1","607-57-8","O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2","O=[N+]([O-])c1cc2c(cc1)-c3c(C2)cccc3",{"$nulls":4},211.063328528,"?"]
[2388,"CC1=CC(=O)c2ccccc2N1","607-67-0","Cc1cc(=O)c2ccccc2[nH]1","Cc1[nH]c2c(c(c1)=O)cccc2",{"$nulls":4},159.068413908,"?"]
[2389,"CC1=CC(=O)Oc2ccccc12","607-71-6","Cc1cc(=O)oc2ccccc12","Cc1c2c(oc(c1)=O)cccc2",{"$nulls":4},160.052429496,"?"]
[2390,"Brc1cccc(Br)c1Br","608-21-9","Brc1cccc(Br)c1Br","Brc1c(c(ccc1)Br)Br",{"$nulls":4},311.77848639600006,"?"]
[2391,"Cc1c(O)cccc1O","608-25-3","Cc1c(O)cccc1O","Cc1c(cccc1O)O",{"$nulls":4},124.052429496,"?"]
[2392,"[O-]C(=O)[CH](Br)[CH](Br)C([O-])=O","608-36-6","O=C([O-])C(Br)C(Br)C(=O)[O-]","O=C(O)C(Br)C(Br)C(=O)O",{"$nulls":4},271.8319827440001,"Structure has been neutralized"]
[2393,"CC(C(C)C(O)=O)C(O)=O","608-39-9","CC(C(=O)O)C(C)C(=O)O","CC(C(=O)O)C(C)C(=O)O",{"$nulls":4},146.0579088,"?"]
[2394,"CC(C(C)C(O)=O)C(O)=O","608-40-2","CC(C(=O)O)C(C)C(=O)O","CC(C(=O)O)C(C)C(=O)O",{"$nulls":4},146.0579088,"?"]
[2395,null,"608-60-6",{"$nulls":7},""]
[2396,"OCC(O)C(O)C(O)C(O)CO","608-66-2","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",{"$nulls":4},182.079038168,"?"]
[2397,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","608-73-1","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},287.86006627200015,"?"]
[2398,"Clc1cc(Cl)c(Cl)c(Cl)c1Cl","608-93-5","Clc1cc(Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)Cl)Cl",{"$nulls":4},247.852088432,"?"]
[2399,"Oc1cc(Cl)c(O)c(Cl)c1Cl","608-94-6","Oc1cc(Cl)c(O)c(Cl)c1Cl","Oc1c(c(c(c(c1)Cl)O)Cl)Cl",{"$nulls":4},211.919862376,"?"]
[2400,"CCOC(=O)C(=O)C(=O)OCC","609-09-6","CCOC(=O)C(=O)C(=O)OCC","CCOC(=O)C(=O)C(=O)OCC",{"$nulls":4},174.05282342,"?"]
[2401,"CCC(CO)[N+]([O-])=O","609-31-4","CCC(CO)[N+](=O)[O-]","CCC(CO)[N+](=O)[O-]",{"$nulls":4},119.058243148,"?"]
[2402,"Oc1c(Cl)cc(Cl)cc1[N+]([O-])=O","609-89-2","O=[N+]([O-])c1cc(Cl)cc(Cl)c1O","O=[N+]([O-])c1c(c(cc(c1)Cl)Cl)O",{"$nulls":4},206.948998316,"?"]
[2403,null,"609-97-2",{"$nulls":7},""]
[2404,null,"609-98-3",{"$nulls":7},""]
[2405,"OC(=O)c1ccc(O)c(O)c1O","610-02-6","O=C(O)c1ccc(O)c(O)c1O","O=C(O)c1c(c(c(cc1)O)O)O",{"$nulls":4},170.021523292,"?"]
[2406,"OC(=O)c1cccc(C=O)c1O","610-04-8","O=Cc1cccc(C(=O)O)c1O","O=Cc1c(c(ccc1)C(=O)O)O",{"$nulls":4},166.026608672,"?"]
[2407,null,"610-13-9",{"$nulls":7},""]
[2408,"OC(=O)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O","610-30-0","O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)c1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},212.006935848,"?"]
[2409,"Cc1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O","610-39-9","Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1","Cc1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},182.032756672,"?"]
[2410,"Cc1cccc2cc3ccccc3cc12","610-48-0","Cc1cccc2cc3ccccc3cc12","Cc1c2c(ccc1)cc3c(cccc3)c2",{"$nulls":4},192.093900384,"?"]
[2411,"[O-][N+](=O)c1ccc2COC(=O)c2c1","610-93-5","O=C1OCc2ccc([N+](=O)[O-])cc21","O=C1c2c(CO1)ccc([N+](=O)[O-])c2",{"$nulls":4},179.02185764,"?"]
[2412,"CCc1ccccc1C","611-14-3","CCc1ccccc1C","CCc1c(cccc1)C",{"$nulls":4},120.093900384,"?"]
[2413,"O=C1C=CNc2ccccc12","611-36-9","O=c1cc[nH]c2ccccc12","O=c1c2c([nH]cc1)cccc2",{"$nulls":4},145.052763844,"?"]
[2414,null,"611-41-6",{"$nulls":7},""]
[2415,"O[CH](C(O)=O)c1ccccc1","611-71-2","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",{"$nulls":4},152.047344116,"?"]
[2416,"OC(C(O)=O)c1ccccc1","611-72-3","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",{"$nulls":4},152.047344116,"?"]
[2417,"OC(=O)C(=O)c1ccccc1","611-73-4","O=C(O)C(=O)c1ccccc1","O=C(O)C(=O)c1ccccc1",{"$nulls":4},150.03169405199998,"?"]
[2418,"OCc1ccccc1CO","612-14-6","OCc1ccccc1CO","OCc1c(cccc1)CO",{"$nulls":4},138.06807956,"?"]
[2419,"OCc1ccccc1C(O)=O","612-20-4","O=C(O)c1ccccc1CO","O=C(O)c1c(cccc1)CO",{"$nulls":4},152.047344116,"?"]
[2420,"CCc1ccccc1[N+]([O-])=O","612-22-6","CCc1ccccc1[N+](=O)[O-]","CCc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},151.063328528,"?"]
[2421,"OCc1ccccc1[N+]([O-])=O","612-25-9","O=[N+]([O-])c1ccccc1CO","O=[N+]([O-])c1c(cccc1)CO",{"$nulls":4},153.042593084,"?"]
[2422,"Cc1ccc2cc3ccccc3cc2c1","613-12-7","Cc1ccc2cc3ccccc3cc2c1","Cc1cc2c(cc1)cc3c(cccc3)c2",{"$nulls":4},192.093900384,"?"]
[2423,"Nc1ccc2cc3ccccc3cc2c1","613-13-8","Nc1ccc2cc3ccccc3cc2c1","Nc1cc2c(cc1)cc3c(cccc3)c2",{"$nulls":4},193.089149352,"?"]
[2424,"Cc1ccc(cc1)c2ccc(C)cc2","613-33-2","Cc1ccc(-c2ccc(C)cc2)cc1","Cc1ccc(cc1)-c2ccc(cc2)C",{"$nulls":4},182.109550448,"?"]
[2425,"CCOc1ccccc1C=O","613-69-4","CCOc1ccccc1C=O","CCOc1c(cccc1)C=O",{"$nulls":4},150.06807956,"?"]
[2426,"CCOC(=O)c1cccnc1","614-18-6",null,null,"CCOC(=O)c1cccnc1",{"$nulls":3},608.8482354360003,"?"]
[2427,"O=C(NC(=O)c1ccccc1)c2ccccc2","614-28-8","O=C(NC(=O)c1ccccc1)c1ccccc1","O=C(NC(=O)c1ccccc1)c2ccccc2",{"$nulls":4},225.078978592,"?"]
[2428,"OC(=O)COc1ccccc1Cl","614-61-9","O=C(O)COc1ccccc1Cl","O=C(O)COc1c(cccc1)Cl",{"$nulls":4},186.00837176399997,"?"]
[2429,"Cc1ccccc1NC(N)=O","614-77-7","Cc1ccccc1NC(N)=O","Cc1c(cccc1)NC(N)=O",{"$nulls":4},150.07931294,"?"]
[2430,"CC(=O)Nc1ccccc1O","614-80-2","CC(=O)Nc1ccccc1O","CC(=O)Nc1c(cccc1)O",{"$nulls":4},151.063328528,"?"]
[2431,"Cc1[nH]c2ccccc2n1","615-15-6","Cc1nc2ccccc2[nH]1","Cc1[nH]c2c(n1)cccc2",{"$nulls":4},132.068748256,"?"]
[2432,"CSc1sc2ccccc2n1","615-22-5","CSc1nc2ccccc2s1","CSc1sc2c(n1)cccc2",{"$nulls":4},181.001991224,"?"]
[2433,"CNC(=O)C(=O)NC","615-35-0","CNC(=O)C(=O)NC","CNC(=O)C(=O)NC",{"$nulls":4},116.058577496,"?"]
[2434,"Clc1ccccc1I","615-41-8","Clc1ccccc1I","Clc1c(cccc1)I",{"$nulls":4},237.904625808,"?"]
[2435,"Ic1ccccc1I","615-42-9","Ic1ccccc1I","Ic1c(cccc1)I",{"$nulls":4},329.8402461280001,"?"]
[2436,"CCOC(=O)N(C)N=O","615-53-2","CCOC(=O)N(C)N=O","CCOC(=O)N(C)N=O",{"$nulls":4},132.053492116,"?"]
[2437,"Brc1ccc(Br)c(Br)c1","615-54-3","Brc1ccc(Br)c(Br)c1","Brc1cc(c(cc1)Br)Br",{"$nulls":4},311.77848639600006,"?"]
[2438,"Oc1ccc(Br)cc1Br","615-58-7","Oc1ccc(Br)cc1Br","Oc1c(cc(cc1)Br)Br",{"$nulls":4},249.862888948,"?"]
[2439,"Oc1ccc(O)c(Cl)c1","615-67-8","Oc1ccc(O)c(Cl)c1","Oc1cc(c(cc1)O)Cl",{"$nulls":4},143.99780708,"?"]
[2440,"CN1C=CC(=O)NC1=O","615-77-0","Cn1ccc(=O)[nH]c1=O","Cn1c([nH]c(cc1)=O)=O",{"$nulls":4},126.042927432,"?"]
[2441,"CCCCC(N)C(O)=O","616-06-8","CCCCC(N)C(=O)O","CCCCC(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[2442,"CCC(Cl)CC","616-20-6","CCC(Cl)CC","CCC(Cl)CC",{"$nulls":4},106.05492803199999,"?"]
[2443,"CCC(O)C=C","616-25-1","C=CC(O)CC","C=CC(O)CC",{"$nulls":4},86.07316494,"?"]
[2444,"CC[NH+](C)CC","616-39-7","CC[NH+](C)CC","CCN(C)CC",{"$nulls":4},88.11262444799999,"Structure has been neutralized"]
[2445,"Cc1cscc1","616-44-4","Cc1ccsc1","Cc1cscc1",{"$nulls":4},98.019021192,"?"]
[2446,"O=C1CCCN1","616-45-5","O=C1CCCN1","O=C1NCCC1",{"$nulls":4},85.052763844,"?"]
[2447,"Cn1ccnc1","616-47-7","Cn1ccnc1","Cn1cncc1",{"$nulls":4},82.053098192,"?"]
[2448,"CCCC(C(O)=O)C(O)=O","616-62-6","CCCC(C(=O)O)C(=O)O","CCCC(C(=O)O)C(=O)O",{"$nulls":4},146.0579088,"?"]
[2449,"Oc1cc(O)c(cc1[N+]([O-])=O)[N+]([O-])=O","616-74-0","O=[N+]([O-])c1cc([N+](=O)[O-])c(O)cc1O","O=[N+]([O-])c1c(cc(c(c1)[N+](=O)[O-])O)O",{"$nulls":4},200.006935848,"?"]
[2450,"OC(=O)c1cc(C=O)ccc1O","616-76-2","O=Cc1ccc(O)c(C(=O)O)c1","O=Cc1cc(c(cc1)O)C(=O)O",{"$nulls":4},166.026608672,"?"]
[2451,"Nc1ccc(cc1C(O)=O)[N+]([O-])=O","616-79-5","Nc1ccc([N+](=O)[O-])cc1C(=O)O","Nc1c(cc(cc1)[N+](=O)[O-])C(=O)O",{"$nulls":4},182.032756672,"?"]
[2452,"CCCCCC(C(O)=O)C(O)=O","616-88-6","CCCCCC(C(=O)O)C(=O)O","CCCCCC(C(=O)O)C(=O)O",{"$nulls":4},174.089208928,"?"]
[2453,"CCCC(O)C(C)C","617-29-8","CCCC(O)C(C)C","CCCC(O)C(C)C",{"$nulls":4},116.120115132,"?"]
[2454,"NC(CC(O)=O)C(O)=O","617-45-8","NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O",{"$nulls":4},133.037507704,"?"]
[2455,"OC(CC(O)=O)C(O)=O","617-48-1","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O",{"$nulls":4},134.021523292,"?"]
[2456,"COC(=O)C=C(C)C(=O)OC","617-53-8","COC(=O)C=C(C)C(=O)OC","COC(=O)C=C(C)C(=O)OC",{"$nulls":4},158.0579088,"?"]
[2457,"COC(=O)C=C(C)C(=O)OC","617-54-9","COC(=O)C=C(C)C(=O)OC","COC(=O)C=C(C)C(=O)OC",{"$nulls":4},158.0579088,"?"]
[2458,"NC(CCC(O)=O)C(O)=O","617-65-2","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",{"$nulls":4},147.053157768,"?"]
[2459,"CCN(CC)C=O","617-84-5","CCN(C=O)CC","CCN(C=O)CC",{"$nulls":4},101.084063972,"?"]
[2460,"NCc1occc1","617-89-0","NCc1ccco1","NCc1occc1",{"$nulls":4},97.052763844,"?"]
[2461,"Cc1ccc(cc1N)[S](O)(=O)=O","618-03-1","Cc1ccc(S(=O)(=O)O)cc1N","Cc1c(cc(cc1)S(=O)(=O)O)N",{"$nulls":4},187.030314148,"?"]
[2462,null,"618-09-7",{"$nulls":7},""]
[2463,"[O-]C(=O)c1oc(Cl)cc1","618-30-4","O=C([O-])c1ccc(Cl)o1","O=C(O)c1oc(cc1)Cl",{"$nulls":4},144.96924660399998,"Structure has been neutralized"]
[2464,"OC(=O)c1cccc(I)c1","618-51-9","O=C(O)c1cccc(I)c1","O=C(O)c1cc(ccc1)I",{"$nulls":4},247.9334274,"?"]
[2465,"OC[CH]1O[CH](Oc2ccccc2C=O)[CH](O)[CH](O)[CH]1O","618-65-5","O=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O","O=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",{"$nulls":4},284.08960285200044,"?"]
[2466,"OC[CH]1O[CH](Oc2ccccc2C=CC(O)=O)[CH](O)[CH](O)[CH]1O","618-67-7","O=C(O)C=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O","O=C(O)C=Cc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",{"$nulls":4},326.10016753600047,"?"]
[2467,"OC(=O)c1cc(O)cc(c1)C(O)=O","618-83-7","O=C(O)c1cc(O)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)O)C(=O)O",{"$nulls":4},182.021523292,"?"]
[2468,null,"619-02-3",{"$nulls":7},""]
[2469,"Cc1ccc(cc1C)C([O-])=O","619-04-5","Cc1ccc(C(=O)[O-])cc1C","Cc1c(cc(cc1)C(=O)O)C",{"$nulls":4},149.060254528,"Structure has been neutralized"]
[2470,"OCc1cccc(c1)[N+]([O-])=O","619-25-0","O=[N+]([O-])c1cccc(CO)c1","O=[N+]([O-])c1cc(ccc1)CO",{"$nulls":4},153.042593084,"?"]
[2471,"COC(=O)c1ccc(N)cc1","619-45-4","COC(=O)c1ccc(N)cc1","COC(=O)c1ccc(cc1)N",{"$nulls":4},151.063328528,"?"]
[2472,"OC(=O)c1ccc(I)cc1","619-58-9","O=C(O)c1ccc(I)cc1","O=C(O)c1ccc(cc1)I",{"$nulls":4},247.9334274,"?"]
[2473,"OC(=O)c1ccc(cc1)C#N","619-65-8","N#Cc1ccc(C(=O)O)cc1","N#Cc1ccc(cc1)C(=O)O",{"$nulls":4},147.0320284,"?"]
[2474,"OCc1ccc(cc1)[N+]([O-])=O","619-73-8","O=[N+]([O-])c1ccc(CO)cc1","O=[N+]([O-])c1ccc(cc1)CO",{"$nulls":4},153.042593084,"?"]
[2475,"OC(=O)C1CCC(CC1)C(O)=O","619-82-9","O=C(O)C1CCC(C(=O)O)CC1","O=C(O)C1CCC(CC1)C(=O)O",{"$nulls":4},172.073558864,"?"]
[2476,"CN(C)c1ccc(cc1)C(O)=O","619-84-1","CN(C)c1ccc(C(=O)O)cc1","CN(C)c1ccc(cc1)C(=O)O",{"$nulls":4},165.078978592,"?"]
[2477,"OCc1cccc(O)c1","620-24-6","OCc1cccc(O)c1","OCc1cc(ccc1)O",{"$nulls":4},124.052429496,"?"]
[2478,"O=C(CC#N)Nc1ccccc1","621-03-4","N#CCC(=O)Nc1ccccc1","N#CCC(=O)Nc1ccccc1",{"$nulls":4},160.063662876,"?"]
[2479,"OC(=O)Cc1cccc(O)c1","621-37-4","O=C(O)Cc1cccc(O)c1","O=C(O)Cc1cc(ccc1)O",{"$nulls":4},152.047344116,"?"]
[2480,"CCCN(CCC)N=O","621-64-7","CCCN(CCC)N=O","CCCN(CCC)N=O",{"$nulls":4},130.110613068,"?"]
[2481,"CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC","621-70-5","CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC","CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC",{"$nulls":4},386.266838936001,"?"]
[2482,"CCCCCN(CCCCC)CCCCC","621-77-2","CCCCCN(CCCCC)CCCCC","CCCCCN(CCCCC)CCCCC",{"$nulls":4},227.26130005599998,"?"]
[2483,"OC(=O)C=Cc1ccccc1","621-82-9","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1",{"$nulls":4},148.052429496,"?"]
[2484,"NC(=O)OCc1ccccc1","621-84-1","NC(=O)OCc1ccccc1","NC(=O)OCc1ccccc1",{"$nulls":4},151.063328528,"?"]
[2485,"OCCOCc1ccccc1","622-08-2","OCCOCc1ccccc1","OCCOCc1ccccc1",{"$nulls":4},152.083729624,"?"]
[2486,"Cc1ccc(cc1)N=C=S","622-59-3","Cc1ccc(N=C=S)cc1","Cc1ccc(cc1)N=C=S",{"$nulls":4},149.029920224,"?"]
[2487,"S=C=NCc1ccccc1","622-78-6","S=C=NCc1ccccc1","S=C=NCc1ccccc1",{"$nulls":4},149.029920224,"?"]
[2488,"CNc1ccc(O)cc1.CNc2ccc(O)cc2.Oc3ccc(O)cc3","622-91-3","CNc1ccc(O)cc1","CNc1ccc(cc1)O","CNc1ccc(O)cc1","Oc1ccc(O)cc1",null,null,356.173607248,"?"]
[2489,"CCc1ccc(C)cc1","622-96-8","CCc1ccc(C)cc1","CCc1ccc(cc1)C",{"$nulls":4},120.093900384,"?"]
[2490,"Cc1ccc(C=C)cc1","622-97-9","C=Cc1ccc(C)cc1","C=Cc1ccc(cc1)C",{"$nulls":4},118.07825032,"?"]
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[2510,"CSSC","624-92-0","CSSC","CSSC",{"$nulls":4},93.991092192,"?"]
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[2514,"CCCCC(C)(C)O","625-23-0","CCCCC(C)(C)O","CCCCC(C)(C)O",{"$nulls":4},116.120115132,"?"]
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[2517,"COCC(C)C","625-44-5","COCC(C)C","COCC(C)C",{"$nulls":4},88.088815004,"?"]
[2518,"COCC(O)=O","625-45-6","COCC(=O)O","COCC(=O)O",{"$nulls":4},90.031694052,"?"]
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[2521,"CC(C)OC=O","625-55-8","CC(C)OC=O","CC(C)OC=O",{"$nulls":4},88.052429496,"?"]
[2522,"Fc1cccc(Cl)c1","625-98-9","Fc1cccc(Cl)c1","Fc1cc(ccc1)Cl",{"$nulls":4},129.998556028,"?"]
[2523,"Clc1cccc(I)c1","625-99-0","Clc1cccc(I)c1","Clc1cc(ccc1)I",{"$nulls":4},237.904625808,"?"]
[2524,"Ic1cccc(I)c1","626-00-6","Ic1cccc(I)c1","Ic1cc(ccc1)I",{"$nulls":4},329.8402461280001,"?"]
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[2526,"OCc1cccc(CO)c1","626-18-6","OCc1cccc(CO)c1","OCc1cc(ccc1)CO",{"$nulls":4},138.06807956,"?"]
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[2530,"O=C1C=CNC=C1","626-64-2","O=c1cc[nH]cc1","O=c1cc[nH]cc1",{"$nulls":4},95.03711378,"?"]
[2531,"[H+].[Cl-].CN1CCCCC1","626-67-5","CN1CCCCC1","CN1CCCCC1","[Cl-]","[H+]",null,null,135.081477128,"?"]
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[2534,"CC(C)CCCO","626-89-1","CC(C)CCCO","CC(C)CCCO",{"$nulls":4},102.104465068,"?"]
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[2538,"CCCOC(C)C","627-08-7","CCCOC(C)C","CCCOC(C)C",{"$nulls":4},102.104465068,"?"]
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[2562,"CCCCCCCBr","629-04-9","CCCCCCCBr","CCCCCCCBr",{"$nulls":4},178.03571258,"?"]
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[2571,"CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC","630-06-8","CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC",{"$nulls":4},506.57905236800207,"?"]
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[2597,"Oc1ccc(cc1)N=O","637-62-7","O=Nc1ccc(O)cc1","O=Nc1ccc(cc1)O",{"$nulls":4},123.0320284,"?"]
[2598,"CCC(=O)OC(C)C","637-78-5","CCC(=O)OC(C)C","CCC(=O)OC(C)C",{"$nulls":4},116.083729624,"?"]
[2599,"Clc1ccc(I)cc1","637-87-6","Clc1ccc(I)cc1","Clc1ccc(cc1)I",{"$nulls":4},237.904625808,"?"]
[2600,"CCOC(C)(C)C","637-92-3","CCOC(C)(C)C","CCOC(C)(C)C",{"$nulls":4},102.104465068,"?"]
[2601,"CC1NC(C)SC(C)S1","638-17-5","CC1NC(C)SC(C)S1","CC1SC(SC(N1)C)C",{"$nulls":4},163.048941416,"?"]
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[2603,"CCCCCCCCCCCCC(O)=O","638-53-9","CCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCC(=O)O",{"$nulls":4},214.193280072,"?"]
[2604,"[Cl]|[Sn](c1ccccc1)(c2ccccc2)c3ccccc3","639-58-7",{"$nulls":7},""]
[2605,"CCSCCS[P](=S)(OC)OC","640-15-3","CCSCCSP(=S)(OC)OC","CCSCCSP(=S)(OC)OC",{"$nulls":4},245.99717935,"?"]
[2606,"NC(=O)CF","640-19-7","NC(=O)CF","NC(=O)CF",{"$nulls":4},77.027691968,"?"]
[2607,"C[CH](CCC(=O)NCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C","640-79-9","CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",{"$nulls":4},449.31412347600116,"?"]
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[2609,"Cc1ccc(cc1)c2ccccc2","644-08-6","Cc1ccc(-c2ccccc2)cc1","Cc1ccc(cc1)-c2ccccc2",{"$nulls":4},168.093900384,"?"]
[2610,"CC(=O)OOC(=O)c1ccccc1","644-31-5","CC(=O)OOC(=O)c1ccccc1","CC(=O)OOC(=O)c1ccccc1",{"$nulls":4},180.042258736,"?"]
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[2612,"[O-][N+](=O)Nc1ccccc1","645-55-6","O=[N+]([O-])Nc1ccccc1","O=[N+]([O-])Nc1ccccc1",{"$nulls":4},138.042927432,"?"]
[2613,"CCCc1ccc(O)cc1","645-56-7","CCCc1ccc(O)cc1","CCCc1ccc(cc1)O",{"$nulls":4},136.088815004,"?"]
[2614,"CCCC=C(CC)C=O","645-62-5","CCCC=C(C=O)CC","CCCC=C(C=O)CC",{"$nulls":4},126.104465068,"?"]
[2615,"NC1=NC(=O)N=C(N)N1","645-92-1","Nc1nc(=O)nc(N)[nH]1","Nc1[nH]c(nc(n1)=O)N",{"$nulls":4},127.04940977999999,"?"]
[2616,"NC1=NC(=O)NC(=O)N1","645-93-2","Nc1nc(=O)[nH]c(=O)[nH]1","Nc1[nH]c([nH]c(n1)=O)=O",{"$nulls":4},128.033425368,"?"]
[2617,"CCC=CC","646-04-8","CC=CCC","CC=CCC",{"$nulls":4},70.07825032,"?"]
[2618,"C1COCO1","646-06-0","C1COCO1","C1OCOC1",{"$nulls":4},74.036779432,"?"]
[2619,"COc1cnc(N[S](=O)(=O)c2ccc(N)cc2)nc1","651-06-9","COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1","COc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},280.06301124400034,"?"]
[2620,"NCCCCC(O)=O","660-88-8","NCCCCC(=O)O","NCCCCC(=O)O",{"$nulls":4},117.078978592,"?"]
[2621,"Cc1ccc(cc1)[S](=O)(=O)NC(=O)NC2CCCCC2","664-95-9","Cc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2",{"$nulls":4},296.11946350000056,"?"]
[2622,"N[CH](CCO)C(O)=O","672-15-1","NC(CCO)C(=O)O","NC(CCO)C(=O)O",{"$nulls":4},119.058243148,"?"]
[2623,"CCNc1nc(NCC)nc(OC)n1","673-04-1","CCNc1nc(NCC)nc(OC)n1","CCNc1nc(nc(n1)NCC)OC",{"$nulls":4},197.12766009999999,"?"]
[2624,"N[CH](Cc1ccccc1)C(O)=O","673-06-3","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",{"$nulls":4},165.078978592,"?"]
[2625,"CN(C)[P](=O)(N(C)C)N(C)C","680-31-9","CN(C)P(=O)(N(C)C)N(C)C","CN(C)P(=O)(N(C)C)N(C)C",{"$nulls":4},179.118748826,"?"]
[2626,"CCS[S](=O)(=O)CC","682-91-7","CCSS(=O)(=O)CC","CCSS(=O)(=O)CC",{"$nulls":4},154.01222156,"?"]
[2627,"[Cl]|[Sn](|[Cl])(CCCC)CCCC","683-18-1",{"$nulls":7},""]
[2628,"NC(=O)CBr","683-57-8","NC(=O)CBr","NC(=O)CBr",{"$nulls":4},136.947625848,"?"]
[2629,"ClC(Br)C(Cl)Br","683-68-1","ClC(Br)C(Cl)Br","ClC(Br)C(Cl)Br",{"$nulls":4},253.790029624,"?"]
[2630,"NC(=O)C(Cl)Cl","683-72-7","NC(=O)C(Cl)Cl","NC(=O)C(Cl)Cl",{"$nulls":4},126.959169076,"?"]
[2631,"CN(N=O)C(N)=O","684-93-5","CN(N=O)C(N)=O","CN(N=O)C(N)=O",{"$nulls":4},103.0381764,"?"]
[2632,null,"686-14-6",{"$nulls":7},""]
[2633,"C=CC#C","689-97-4","C#CC=C","C#CC=C",{"$nulls":4},52.031300128,"?"]
[2634,"CC(C)CC=C","691-37-2","C=CCC(C)C","C=CCC(C)C",{"$nulls":4},84.093900384,"?"]
[2635,"CCCCC#C","693-02-7","C#CCCCC","C#CCCCC",{"$nulls":4},82.07825032,"?"]
[2636,"[O-][N+](=O)OCCOCCO[N+]([O-])=O","693-21-0","O=[N+]([O-])OCCOCCO[N+](=O)[O-]","O=[N+]([O-])OCCOCCO[N+](=O)[O-]",{"$nulls":4},196.033150596,"?"]
[2637,"OC(=O)CCCCCCCCCCC(O)=O","693-23-2","O=C(O)CCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCC(=O)O",{"$nulls":4},230.151809184,"?"]
[2638,"CCCCCCCCC(C)=O","693-54-9","CCCCCCCCC(C)=O","CCCCCCCCC(C)=O",{"$nulls":4},156.15141526,"?"]
[2639,"[O-][n+]1ccccc1","694-59-7","[O-][n+]1ccccc1","[O-][n+]1ccccc1",{"$nulls":4},95.03711378,"?"]
[2640,"Clc1ccccc1Br","694-80-4","Clc1ccccc1Br","Clc1c(cccc1)Br",{"$nulls":4},189.918489908,"?"]
[2641,"CN1C=CC=CC1=O","694-85-9","Cn1ccccc1=O","Cn1c(cccc1)=O",{"$nulls":4},109.052763844,"?"]
[2642,"O=[I](=O)c1ccccc1","696-33-3","O=I(=O)c1ccccc1","O=I(=O)c1ccccc1",{"$nulls":4},235.9334274,"?"]
[2643,"CNc1cccc(C)c1","696-44-6","CNc1cccc(C)c1","CNc1cc(ccc1)C",{"$nulls":4},121.08914935199999,"?"]
[2644,"Cc1cc(C)c(C)c(O)c1","697-82-5","Cc1cc(C)c(C)c(O)c1","Cc1cc(c(c(c1)C)C)O",{"$nulls":4},136.088815004,"?"]
[2645,"CCc1cc(C)cc(O)c1","698-71-5","CCc1cc(C)cc(O)c1","CCc1cc(cc(c1)C)O",{"$nulls":4},136.088815004,"?"]
[2646,"Cc1cc(C)c(C)c(C)c1C","700-12-9","Cc1cc(C)c(C)c(C)c1C","Cc1c(c(c(c(c1)C)C)C)C",{"$nulls":4},148.125200512,"?"]
[2647,"Cc1ccc(c(O)c1)[N+]([O-])=O","700-38-9","Cc1ccc([N+](=O)[O-])c(O)c1","Cc1cc(c(cc1)[N+](=O)[O-])O",{"$nulls":4},153.042593084,"?"]
[2648,"O=C1N=CNc2nccnc12","700-47-0","O=c1nc[nH]c2nccnc12","O=c1c2c([nH]cn1)nccn2",{"$nulls":4},148.038510748,"?"]
[2649,null,"700-81-2",{"$nulls":7},""]
[2650,"ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl","706-78-5","ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl","ClC=1C(C(C(C1Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl",{"$nulls":4},339.75082144,"?"]
[2651,"CN1C(=O)NC2=C(NC(=O)N2)C1=O","708-79-2","Cn1c(=O)[nH]c2[nH]c(=O)[nH]c2c1=O","Cn1c(c2c([nH]c1=O)[nH]c(=O)[nH]2)=O",{"$nulls":4},182.043990052,"?"]
[2652,"NC(Cc1ccccc1O)C(O)=O","709-16-0","NC(Cc1ccccc1O)C(=O)O","NC(Cc1c(cccc1)O)C(=O)O",{"$nulls":4},181.073893212,"?"]
[2653,"NC(=S)Nc1cccc(c1)[N+]([O-])=O","709-72-8","NC(=S)Nc1cccc([N+](=O)[O-])c1","NC(=S)Nc1cc(ccc1)[N+](=O)[O-]",{"$nulls":4},197.025897464,"?"]
[2654,"CCC(=O)Nc1ccc(Cl)c(Cl)c1","709-98-8","CCC(=O)Nc1ccc(Cl)c(Cl)c1","CCC(=O)Nc1cc(c(cc1)Cl)Cl",{"$nulls":4},217.006119268,"?"]
[2655,"Cc1nn(c2ccccc2)c(C)c1N=O","715-99-1","Cc1nn(-c2ccccc2)c(C)c1N=O","Cc1c(c(n(n1)-c2ccccc2)C)N=O",{"$nulls":4},201.090211972,"?"]
[2656,"NC(=O)NN=CC=Cc1oc(cc1)[N+]([O-])=O","721-71-1","NC(=O)NN=CC=Cc1ccc([N+](=O)[O-])o1","NC(=O)NN=CC=Cc1oc(cc1)[N+](=O)[O-]",{"$nulls":4},224.054554736,"?"]
[2657,"Cc1onc(N[S](=O)(=O)c2ccc(N)cc2)c1","723-46-6","Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1","Cc1onc(c1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},253.052112212,"?"]
[2658,null,"723-47-7",{"$nulls":7},""]
[2659,"OC(=O)c1c2ccccc2cc3ccccc13","723-62-6","O=C(O)c1c2ccccc2cc2ccccc12","O=C(O)c1c2c(cc3c1cccc3)cccc2",{"$nulls":4},222.06807956,"?"]
[2660,"Cc1oc(N[S](=O)(=O)c2ccc(N)cc2)nc1C","729-99-7","Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C","Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C",{"$nulls":4},267.0677622760003,"?"]
[2661,"CN(C)[S](=O)(=O)N(SC(F)(Cl)Cl)c1ccc(C)cc1","731-27-1","Cc1ccc(N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C)cc1","Cc1ccc(cc1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C",{"$nulls":4},345.97795323600036,"?"]
[2662,"CO[P](=S)(OC)SCN1C(=O)c2ccccc2C1=O","732-11-6","COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O","COP(=S)(OC)SCN1C(c2c(C1=O)cccc2)=O",{"$nulls":4},316.99453649400033,"?"]
[2663,"CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C","732-26-3","CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1","CC(C)(C)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C",{"$nulls":4},262.2296655800002,"?"]
[2664,"COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC","738-70-5","COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC","COc1c(c(cc(c1)Cc2c(nc(nc2)N)N)OC)OC",{"$nulls":4},290.1378904360005,"?"]
[2665,"CC(C)O[P](=S)(OC(C)C)SCCN[S](=O)(=O)c1ccccc1","741-58-2","CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1","CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1",{"$nulls":4},397.06050787800064,"?"]
[2666,"CN(C)[CH]1[CH]2C[CH]3C(=C(O)c4c(O)cccc4[C]3(C)O)C(=O)[C]2(O)C(=O)C(=C(O)NCN5CCCC5)C1=O.O[N+]([O-])=O","751-97-3","CN(C)C1C(=O)C(=C(O)NCN2CCCC2)C(=O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3CC12","CN(C)C1C2C(C(C(C1=O)=C(O)NCN3CCCC3)=O)(O)C(=O)C=4C(C(c5c(C4O)c(O)ccc5)(C)O)C2","O[N+]([O-])=O",{"$nulls":3},590.2224079080008,"?"]
[2667,"[Cl]|[Sn](|[Cl])(C)C","753-73-1",{"$nulls":7},""]
[2668,"CO[P](C)(=O)OC","756-79-6","COP(C)(=O)OC","COP(C)(=O)OC",{"$nulls":4},124.028930778,"?"]
[2669,"CCO[P](=O)(OCC)O[P](=O)(OCC)O[P](=O)(OCC)O[P](=O)(OCC)OCC","757-58-4","CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC","CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC",{"$nulls":4},506.06368754000067,"?"]
[2670,"CCN(N=O)C(N)=O","759-73-9","CCN(N=O)C(N)=O","CCN(N=O)C(N)=O",{"$nulls":4},117.053826464,"?"]
[2671,"CCCN(CCC)C(=O)SCC","759-94-4","CCCN(CCC)C(=O)SCC","CCCN(CCC)C(=O)SCC",{"$nulls":4},189.118735228,"?"]
[2672,"ClCC(Cl)C=C","760-23-6","C=CC(Cl)CCl","C=CC(Cl)CCl",{"$nulls":4},123.98465555199999,"?"]
[2673,"CCCCCCCC(C(O)=O)C(O)=O","760-54-3","CCCCCCCC(C(=O)O)C(=O)O","CCCCCCCC(C(=O)O)C(=O)O",{"$nulls":4},202.120509056,"?"]
[2674,"CCCCCCCCC(C(O)=O)C(O)=O","760-55-4","CCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCC(C(=O)O)C(=O)O",{"$nulls":4},216.13615912,"?"]
[2675,"CCCC(N)C(O)=O","760-78-1","CCCC(N)C(=O)O","CCCC(N)C(=O)O",{"$nulls":4},117.078978592,"?"]
[2676,"FCCCl","762-50-5","FCCCl","FCCCl",{"$nulls":4},81.998556028,"?"]
[2677,"CCCC(C)=C","763-29-1","C=C(C)CCC","C=C(C)CCC",{"$nulls":4},84.093900384,"?"]
[2678,"CCOCCC(=O)OCC","763-69-9","CCOCCC(=O)OCC","CCOCCC(=O)OCC",{"$nulls":4},146.094294308,"?"]
[2679,"CC(C)=CC=C(C)C","764-13-6","CC(C)=CC=C(C)C","CC(C)=CC=C(C)C",{"$nulls":4},110.109550448,"?"]
[2680,"ClCC=CCCl","764-41-0","ClCC=CCCl","ClCC=CCCl",{"$nulls":4},123.98465555199999,"?"]
[2681,"O=CC1CO1","765-34-4","O=CC1CO1","O=CC1OC1",{"$nulls":4},72.021129368,"?"]
[2682,"COc1ccccc1Cl","766-51-8","COc1ccccc1Cl","COc1c(cccc1)Cl",{"$nulls":4},142.018542524,"?"]
[2683,"Cc1cc(C)nc(N)n1","767-15-7","Cc1cc(C)nc(N)n1","Cc1nc(nc(c1)C)N",{"$nulls":4},123.07964728799999,"?"]
[2684,"C1CC[CH]2NCCC[CH]2C1","767-92-0","C1CCC2NCCCC2C1","C1CC2C(CC1)NCCC2",{"$nulls":4},139.136099544,"?"]
[2685,"CC(O)COc1ccccc1","770-35-4","CC(O)COc1ccccc1","CC(O)COc1ccccc1",{"$nulls":4},152.083729624,"?"]
[2686,"C1Cc2ccccc2c3ccccc13","776-35-2","c1ccc2c(c1)CCc1ccccc1-2","c1cc2c(cc1)-c3c(CC2)cccc3",{"$nulls":4},180.093900384,"?"]
[2687,"Cc1c2ccccc2cc3ccccc13","779-02-2","Cc1c2ccccc2cc2ccccc12","Cc1c2c(cc3c1cccc3)cccc2",{"$nulls":4},192.093900384,"?"]
[2688,"Cc1c2ccccc2c(C)c3ccccc13","781-43-1","Cc1c2ccccc2c(C)c2ccccc12","Cc1c2c(c(c3c1cccc3)C)cccc2",{"$nulls":4},206.109550448,"?"]
[2689,"CCO[P](=S)(OCC)SCSc1ccc(Cl)cc1","786-19-6","CCOP(=S)(OCC)SCSc1ccc(Cl)cc1","CCOP(=S)(OCC)SCSc1ccc(cc1)Cl",{"$nulls":4},341.97385706200043,"?"]
[2690,"O=C(NNC(=O)c1ccccc1)c2ccccc2","787-84-8","O=C(NNC(=O)c1ccccc1)c1ccccc1","O=C(NNC(=O)c1ccccc1)c2ccccc2",{"$nulls":4},240.089877624,"?"]
[2691,"Clc1ccc(cc1)C(c2ccccc2Cl)C(Cl)(Cl)Cl","789-02-6","Clc1ccc(C(c2ccccc2Cl)C(Cl)(Cl)Cl)cc1","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)(Cl)Cl",{"$nulls":4},351.91468868800024,"?"]
[2692,null,"803-45-2",{"$nulls":7},""]
[2693,"CCCO[P](=O)(OCC)OCC","814-22-2","CCCOP(=O)(OCC)OCC","CCCOP(=O)(OCC)OCC",{"$nulls":4},196.086445654,"?"]
[2694,"CCCC[P](=O)(CCCC)CCCC","814-29-9","CCCCP(=O)(CCCC)CCCC","CCCCP(=O)(CCCC)CCCC",{"$nulls":4},218.17995211399997,"?"]
[2695,"CCOC(=O)CCCC(=O)OCC","818-38-2","CCOC(=O)CCCC(=O)OCC","CCOC(=O)CCCC(=O)OCC",{"$nulls":4},188.104858992,"?"]
[2696,"OCCOC(=O)C=C","818-61-1","C=CC(=O)OCCO","C=CC(=O)OCCO",{"$nulls":4},116.047344116,"?"]
[2697,"[Ca++].[O-][S](=O)(=O)C[S]([O-])(=O)=O","819-17-0","O=S(=O)([O-])CS(=O)(=O)[O-]","O=S(=O)(O)CS(=O)(=O)O","[Ca+2]",{"$nulls":3},213.89187076400003,"Structure has been neutralized"]
[2698,"OCCCC=C","821-09-0","C=CCCCO","C=CCCCO",{"$nulls":4},86.07316494,"?"]
[2699,"CC(O)CCOCCC(C)O","821-33-0","CC(O)CCOCCC(C)O","CC(O)CCOCCC(C)O",{"$nulls":4},162.125594436,"?"]
[2700,"OC(=O)CCCCCCCCCCCCC(O)=O","821-38-5","O=C(O)CCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCC(=O)O",{"$nulls":4},258.18310931200006,"?"]
[2701,"CCCCCCCC(C)=O","821-55-6","CCCCCCCC(C)=O","CCCCCCCC(C)=O",{"$nulls":4},142.135765196,"?"]
[2702,"CC(C)C1OCCO1","822-83-3","CC(C)C1OCCO1","CC(C)C1OCCO1",{"$nulls":4},116.083729624,"?"]
[2703,null,"823-09-6",{"$nulls":7},""]
[2704,null,"826-91-5",{"$nulls":7},""]
[2705,"CC1CC(OC(C)O1)OC(C)=O","828-00-2","CC(=O)OC1CC(C)OC(C)O1","CC(=O)OC1OC(OC(C1)C)C",{"$nulls":4},174.089208928,"?"]
[2706,"Cc1ccc2cc(C)c(C)cc2c1","829-26-5","Cc1ccc2cc(C)c(C)cc2c1","Cc1cc2c(cc1)cc(C)c(C)c2",{"$nulls":4},170.109550448,"?"]
[2707,"COc1ccc(C=CC(O)=O)cc1","830-09-1","COc1ccc(C=CC(=O)O)cc1","COc1ccc(cc1)C=CC(=O)O",{"$nulls":4},178.06299418,"?"]
[2708,"CN1C(=O)N(C)c2nc(C)[nH]c2C1=O","830-65-9","Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C","Cc1[nH]c2c(n1)n(c(n(c2=O)C)=O)C",{"$nulls":4},194.08037556,"?"]
[2709,"CN1C(=O)N(C)c2nc(C)n(C)c2C1=O","832-66-6","Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C","Cc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",{"$nulls":4},208.096025624,"?"]
[2710,"Cc1cccc2c1ccc3ccccc23","832-69-9","Cc1cccc2c1ccc1ccccc12","Cc1c2c(ccc1)c3c(cc2)cccc3",{"$nulls":4},192.093900384,"?"]
[2711,"CCNc1nc(NC(C)C)nc(SC)n1","834-12-8","CCNc1nc(NC(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)C)SC",{"$nulls":4},227.12046654399998,"?"]
[2712,"CCOC(=O)[CH](Cc1ccc(O)cc1)NC(C)=O","840-97-1","CCOC(=O)C(Cc1ccc(O)cc1)NC(C)=O","CCOC(=O)C(Cc1ccc(cc1)O)NC(C)=O",{"$nulls":4},251.115758024,"?"]
[2713,"COCCCNc1nc(NC(C)C)nc(SC)n1","841-06-5","COCCCNc1nc(NC(C)C)nc(SC)n1","COCCCNc1nc(nc(n1)NC(C)C)SC",{"$nulls":4},271.14668129200044,"?"]
[2714,"COCCCNc1nc(NCCCOC)nc(SC)n1","845-52-3","COCCCNc1nc(NCCCOC)nc(SC)n1","COCCCNc1nc(nc(n1)NCCCOC)SC",{"$nulls":4},301.15724597600064,"?"]
[2715,"OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O","846-49-1","O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O","O=C1C(N=C(c2c(N1)ccc(Cl)c2)c3c(cccc3)Cl)O",{"$nulls":4},320.0119329200003,"?"]
[2716,"CC(=O)O[CH]1CC[C]2(C)[CH]3CC[C]4(C)[CH](CCC4=O)[CH]3CC=C2C1","853-23-6","CC(=O)OC1CCC2(C)C(=CCC3C4CCC(=O)C4(C)CCC32)C1","CC(=O)OC1CC=2C(CC1)(C3C(CC2)C4C(C(CC4)=O)(C)CC3)C",{"$nulls":4},330.2194948200008,"?"]
[2717,"CC(=O)CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3","853-34-9","CC(=O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O","CC(=O)CCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O",{"$nulls":4},322.13174243600054,"?"]
[2718,"CCO[P](=O)(OCC)C(Cl)(Cl)Cl","866-23-9","CCOP(=O)(OCC)C(Cl)(Cl)Cl","CCOP(=O)(OCC)C(Cl)(Cl)Cl",{"$nulls":4},253.94331384999998,"?"]
[2719,"[K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O","866-84-2","O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-]","O=C(O)CC(O)(CC(=O)O)C(=O)O","[K+]","[K+]","[K+]",null,305.89464754000005,"Structure has been neutralized"]
[2720,"CC(=C)C(=O)OCCO","868-77-9","C=C(C)C(=O)OCCO","C=C(C)C(=O)OCCO",{"$nulls":4},130.06299418,"?"]
[2721,"CC(=O)OC(OC(C)=O)C=C","869-29-4","C=CC(OC(C)=O)OC(C)=O","C=CC(OC(C)=O)OC(C)=O",{"$nulls":4},158.0579088,"?"]
[2722,"CC(=O)NCCNC(C)=O","871-78-3","CC(=O)NCCNC(C)=O","CC(=O)NCCNC(C)=O",{"$nulls":4},144.089877624,"?"]
[2723,"CCCCCCCCC=C","872-05-9","C=CCCCCCCCC","C=CCCCCCCCC",{"$nulls":4},140.15650064,"?"]
[2724,"CN1CCCC1=O","872-50-4","CN1CCCC1=O","CN1C(CCC1)=O",{"$nulls":4},99.068413908,"?"]
[2725,"CCc1sccc1","872-55-9","CCc1cccs1","CCc1sccc1",{"$nulls":4},112.034671256,"?"]
[2726,"OCc1ccc(Br)cc1","873-75-6","OCc1ccc(Br)cc1","OCc1ccc(cc1)Br",{"$nulls":4},185.968026944,"?"]
[2727,"OCc1ccc(Cl)cc1","873-76-7","OCc1ccc(Cl)cc1","OCc1ccc(cc1)Cl",{"$nulls":4},142.018542524,"?"]
[2728,"[K+].OC(=O)c1ccccc1C([O-])=O","877-24-7","O=C([O-])c1ccccc1C(=O)O","O=C(O)c1c(cccc1)C(=O)O","[K+]",{"$nulls":3},203.98249032,"Structure has been neutralized"]
[2729,"[O-][N+](=O)c1cc(Cl)c(Cl)c(Cl)c1Cl","879-39-0","O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(c(c1)Cl)Cl)Cl)Cl",{"$nulls":4},258.87613899200005,"?"]
[2730,"CCOc1nc(OCC)nc(OCC)n1","884-43-5","CCOc1nc(OCC)nc(OCC)n1","CCOc1nc(nc(n1)OCC)OCC",{"$nulls":4},213.11134134,"?"]
[2731,"Oc1ccc(cc1[N+]([O-])=O)c2ccccc2","885-82-5","O=[N+]([O-])c1cc(-c2ccccc2)ccc1O","O=[N+]([O-])c1c(ccc(c1)-c2ccccc2)O",{"$nulls":4},215.058243148,"?"]
[2732,"CCNc1nc(NC(C)(C)C)nc(SC)n1","886-50-0","CCNc1nc(NC(C)(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)(C)C)SC",{"$nulls":4},241.13611660799998,"?"]
[2733,"CCOC(=O)c1cccc(N)c1.C[S](O)(=O)=O","886-86-2","CCOC(=O)c1cccc(N)c1","CCOC(=O)c1cc(ccc1)N","CS(O)(=O)=O",{"$nulls":3},261.06709358,"?"]
[2734,"[O-][N+](=O)c1ccc2c3ccccc3c4cccc1c24","892-21-7","O=[N+]([O-])c1ccc2c3c(cccc13)-c1ccccc1-2","O=[N+]([O-])c1c2c3c(cc1)-c4c(-c3ccc2)cccc4",{"$nulls":4},247.063328528,"?"]
[2735,"CC([O]|[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)=O","900-95-8",{"$nulls":7},""]
[2736,"CC(=O)NCC(O)=O.NC(=N)c1ccc(NN=Nc2ccc(cc2)C(N)=N)cc1","908-54-3","N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1","N=C(N)c1ccc(cc1)N=NNc2ccc(cc2)C(=N)N","CC(=O)NCC(O)=O",{"$nulls":3},398.18148656400047,"?"]
[2737,"CN(C)[CH]1[CH]2[CH](O)[CH]3C(=C)c4cccc(O)c4C(=C3C(=O)[C]2(O)C(=O)C(=C(N)O)C1=O)O","914-00-1","C=C1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(=O)C(=C(N)O)C(=O)C(N(C)C)C3C(O)C12","C=C1C2C(=C(c3c1cccc3O)O)C(=O)C4(C(C(C(C(C4=O)=C(N)O)=O)N(C)C)C2O)O",{"$nulls":4},442.1376156640005,"?"]
[2738,"COCCNC(=O)CS[P](=S)(OC)OC","919-76-6","COCCNC(=O)CSP(=S)(OC)OC","COCCNC(=O)CSP(=S)(OC)OC",{"$nulls":4},273.0258366220005,"?"]
[2739,"CCSCCS[P](=O)(OC)OC","919-86-8","CCSCCSP(=O)(OC)OC","CCSCCSP(=O)(OC)OC",{"$nulls":4},230.02002297,"?"]
[2740,"CCOC(C)(C)CC","919-94-8","CCOC(C)(C)CC","CCOC(C)(C)CC",{"$nulls":4},116.120115132,"?"]
[2741,null,"920-79-6",{"$nulls":7},""]
[2742,"OC(=O)CC(Br)C(O)=O","923-06-8","O=C(O)CC(Br)C(=O)O","O=C(O)CC(Br)C(=O)O",{"$nulls":4},195.93712074,"?"]
[2743,null,"923-18-2",{"$nulls":7},""]
[2744,"CCCCN(CCCC)N=O","924-16-3","CCCCN(CCCC)N=O","CCCCN(CCCC)N=O",{"$nulls":4},158.141913196,"?"]
[2745,"OCNC(=O)C=C","924-42-5","C=CC(=O)NCO","C=CC(=O)NCO",{"$nulls":4},101.047678464,"?"]
[2746,null,"924-57-2",{"$nulls":7},""]
[2747,null,"924-62-9",{"$nulls":7},""]
[2748,"CCCC(=O)NCCNC(=O)CCC","925-49-5","CCCC(=O)NCCNC(=O)CCC","CCCC(=O)NCCNC(=O)CCC",{"$nulls":4},200.15247788,"?"]
[2749,"CCCCCC(=O)CCCCC","927-49-1","CCCCCC(=O)CCCCC","CCCCCC(=O)CCCCC",{"$nulls":4},170.167065324,"?"]
[2750,"CC(=O)OCCBr","927-68-4","CC(=O)OCCBr","CC(=O)OCCBr",{"$nulls":4},165.962941564,"?"]
[2751,"CCCCO[N+]([O-])=O","928-45-0","CCCCO[N+](=O)[O-]","CCCCO[N+](=O)[O-]",{"$nulls":4},119.058243148,"?"]
[2752,"CCC#CCC","928-49-4","CCC#CCC","CCC#CCC",{"$nulls":4},82.07825032,"?"]
[2753,"O=NN1CCCC1","930-55-2","O=NN1CCCC1","O=NN1CCCC1",{"$nulls":4},100.063662876,"?"]
[2754,"O=NN1CCCCCC1","932-83-2","O=NN1CCCCCC1","O=NN1CCCCCC1",{"$nulls":4},128.094963004,"?"]
[2755,"Oc1c(Cl)ccc(Cl)c1Cl","933-75-5","Oc1c(Cl)ccc(Cl)c1Cl","Oc1c(c(ccc1Cl)Cl)Cl",{"$nulls":4},195.924947756,"?"]
[2756,"Cc1[nH]c2cncnc2n1","934-33-8","Cc1nc2ncncc2[nH]1","Cc1[nH]c2c(n1)ncnc2",{"$nulls":4},134.059246192,"?"]
[2757,"O=C1CCCCCCCN1","935-30-8","O=C1CCCCCCCN1","O=C1NCCCCCCC1",{"$nulls":4},141.1153641,"?"]
[2758,"O=[S]1(=O)NCc2ccccc12","936-16-3","O=S1(=O)NCc2ccccc21","O=S1(c2c(CN1)cccc2)=O",{"$nulls":4},169.019749464,"?"]
[2759,null,"936-40-3",{"$nulls":7},""]
[2760,"CN(Cc1ccccc1)N=O","937-40-6","CN(Cc1ccccc1)N=O","CN(Cc1ccccc1)N=O",{"$nulls":4},150.07931294,"?"]
[2761,null,"938-40-9",{"$nulls":7},""]
[2762,"COc1cc(Cl)c(Cl)c(Cl)c1Cl","938-86-3","COc1cc(Cl)c(Cl)c(Cl)c1Cl","COc1c(c(c(c(c1)Cl)Cl)Cl)Cl",{"$nulls":4},243.901625468,"?"]
[2763,"CCc1ccc2ccccc2c1","939-27-5","CCc1ccc2ccccc2c1","CCc1cc2c(cc1)cccc2",{"$nulls":4},156.093900384,"?"]
[2764,"Cc1ccc(OCC(O)=O)cc1","940-64-7","Cc1ccc(OCC(=O)O)cc1","Cc1ccc(cc1)OCC(=O)O",{"$nulls":4},166.06299418,"?"]
[2765,"COc1ccc(C=CC(O)=O)cc1","943-89-5","COc1ccc(C=CC(=O)O)cc1","COc1ccc(cc1)C=CC(=O)O",{"$nulls":4},178.06299418,"?"]
[2766,"CCO[P](=S)(CC)Sc1ccccc1","944-22-9","CCOP(=S)(CC)Sc1ccccc1","CCOP(=S)(CC)Sc1ccccc1","FONOP[H]OS",{"$nulls":3},393.993547568,"?"]
[2767,"COc1c(Cl)c(Cl)c(Cl)c(Cl)c1OC","944-61-6","COc1c(Cl)c(Cl)c(Cl)c(Cl)c1OC","COc1c(c(c(c(c1Cl)Cl)Cl)Cl)OC",{"$nulls":4},273.91219015200016,"?"]
[2768,"CCO[P](=O)(OCC)N=C1SCCS1","947-02-4","CCOP(=O)(N=C1SCCS1)OCC","CCOP(=O)(N=C1SCCS1)OCC",{"$nulls":4},255.015271938,"?"]
[2769,"O=C1CCCCCCCCCCCN1","947-04-6","O=C1CCCCCCCCCCCN1","O=C1NCCCCCCCCCCC1",{"$nulls":4},197.177964356,"?"]
[2770,"CCO[P](=O)(OCC)N=C1SCC(C)S1","950-10-7","CCOP(=O)(N=C1SCC(C)S1)OCC","CCOP(=O)(N=C1SC(CS1)C)OCC",{"$nulls":4},269.03092200200035,"?"]
[2771,"COC1=NN(CS[P](=S)(OC)OC)C(=O)S1","950-37-8","COc1nn(CSP(=S)(OC)OC)c(=O)s1","COc1sc(n(n1)CSP(=S)(OC)OC)=O",{"$nulls":4},301.96185646200036,"?"]
[2772,"O.[Cl-].[Cl-].Nc1ccc2cc3ccc(N)cc3nc2c1.Nc4ccc5cc6ccc(N)cc6nc5c4.[H+].[H+]","952-23-8","Nc1ccc2cc3ccc(N)cc3nc2c1","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2","Nc1ccc2cc3ccc(N)cc3nc2c1","[Cl-]","[Cl-]","O",508.154514812,"?","[H+]"]
[2773,"[H+].[Cl-].O=C(NCN1CCOCC1)c2cnccn2","952-54-5","O=C(NCN1CCOCC1)c1cnccn1","O=C(NCN1CCOCC1)c2nccnc2","[Cl-]","[H+]",null,null,258.08835339999996,"?"]
[2774,"CO[P](=S)(OC)SCSc1ccc(Cl)cc1","953-17-3","COP(=S)(OC)SCSc1ccc(Cl)cc1","COP(=S)(OC)SCSc1ccc(cc1)Cl",{"$nulls":4},313.9425569340003,"?"]
[2775,"CN(C)C(=O)C(c1ccccc1)c2ccccc2","957-51-7","CN(C)C(=O)C(c1ccccc1)c1ccccc1","CN(C)C(=O)C(c1ccccc1)c2ccccc2",{"$nulls":4},239.131014164,"?"]
[2776,"ClC1=C(Cl)C2(Cl)[CH]3CO[S](=O)OC[CH]3[C]1(Cl)C2(Cl)Cl","959-98-8","O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},403.81688113200016,"?"]
[2777,"CO[P](=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl","961-11-5","COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},363.89925611800027,"?"]
[2778,"[O-][N+](=O)c1ccc(Nc2ccccc2)c(c1)[N+]([O-])=O","961-68-2","O=[N+]([O-])c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1","O=[N+]([O-])c1cc(c(cc1)Nc2ccccc2)[N+](=O)[O-]",{"$nulls":4},259.0593057680001,"?"]
[2779,"CCOc1ccc(N[S](=O)(=O)c2ccc(N)cc2)nn1","963-14-4","CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1","CCOc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},294.07866130800045,"?"]
[2780,null,"963-85-9",{"$nulls":7},""]
[2781,null,"963-86-0",{"$nulls":7},""]
[2782,"CC(=O)c1ccc(cc1)[S](=O)(=O)NC(=O)NC2CCCCC2","968-81-0","CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2",{"$nulls":4},324.11437812000054,"?"]
[2783,"CC(=O)C1(C)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C","977-79-7","CC(=O)C1(C)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C",{"$nulls":4},340.2402302640009,"?"]
[2784,"[H+].[Cl-].OC(c1ccccc1)(c2ccccn2)C3=CC4C5C(C3C4=C(c6ccccc6)c7ccccn7)C(=O)NC5=O","991-42-4","O=C1NC(=O)C2C3C(C(O)(c4ccccc4)c4ccccn4)=CC(C3=C(c3ccccc3)c3ccccn3)C12","O=C1C2C(C(N1)=O)C3C(C2C=C3C(O)(c4ccccc4)c5ncccc5)=C(c6ccccc6)c7ncccc7","[Cl-]","[H+]",null,null,547.1662693720007,"?"]
[2785,"C[P](O)(O)=O","993-13-5","CP(=O)(O)O","CP(=O)(O)O",{"$nulls":4},95.99763065,"?"]
[2786,"CC(C)N(C)C","996-35-0","CC(C)N(C)C","CC(C)N(C)C",{"$nulls":4},87.10479941599999,"?"]
[2787,null,"999-17-7",{"$nulls":7},""]
[2788,"CCOC(=O)CNC(=O)OCC","999-30-4","CCOC(=O)CNC(=O)OCC","CCOC(=O)CNC(=O)OCC",{"$nulls":4},175.084457896,"?"]
[2789,"CC(O)COC(=O)C=C","999-61-1","C=CC(=O)OCC(C)O","C=CC(=O)OCC(C)O",{"$nulls":4},130.06299418,"?"]
[2790,"NC(=O)NCO","1000-82-4","NC(=O)NCO","NC(=O)NCO",{"$nulls":4},90.042927432,"?"]
[2791,"CCCCCO[N+]([O-])=O","1002-16-0","CCCCCO[N+](=O)[O-]","CCCCCO[N+](=O)[O-]",{"$nulls":4},133.073893212,"?"]
[2792,"CC1CCC(C)O1","1003-38-9","CC1CCC(C)O1","CC1OC(CC1)C",{"$nulls":4},100.088815004,"?"]
[2793,"Cc1cc[n+]([O-])cc1","1003-67-4","Cc1cc[n+]([O-])cc1","Cc1cc[n+](cc1)[O-]",{"$nulls":4},109.052763844,"?"]
[2794,"CC1=CC=C[NH++]([O-])[CH-]1","1003-73-2","CC1=CC=C[NH+2]([O-])[CH-]1","CC1=CC=C[NH+2]([O-])[CH-]1",{"$nulls":4},110.060588876,"Errors in neutralization"]
[2795,"CCNc1nc(N)nc(Cl)n1","1007-28-9","CCNc1nc(N)nc(Cl)n1","CCNc1nc(nc(n1)N)Cl",{"$nulls":4},173.04682293599998,"?"]
[2796,"O=C1CCCCCCCCCN1","1009-89-8","O=C1CCCCCCCCCN1","O=C1NCCCCCCCCC1",{"$nulls":4},169.146664228,"?"]
[2797,"CNc1nc(NC(C)C)nc(SC)n1","1014-69-3","CNc1nc(NC(C)C)nc(SC)n1","CNc1nc(nc(n1)NC(C)C)SC",{"$nulls":4},213.10481647999998,"?"]
[2798,"CCNc1nc(NCC)nc(SC)n1","1014-70-6","CCNc1nc(NCC)nc(SC)n1","CCNc1nc(nc(n1)NCC)SC",{"$nulls":4},213.10481647999998,"?"]
[2799,"CCCCn1cnc2N(C)C(=O)N(C)C(=O)c12","1021-65-4","CCCCn1cnc2c1c(=O)n(C)c(=O)n2C","CCCCn1c2c(nc1)n(c(n(c2=O)C)=O)C",{"$nulls":4},236.127325752,"?"]
[2800,"O=C1OC(=Nc2ccccc12)c3ccccc3","1022-46-4","O=c1oc(-c2ccccc2)nc2ccccc12","O=c1c2c(nc(o1)-c3ccccc3)cccc2",{"$nulls":4},223.063328528,"?"]
[2801,"ClC1C2OC2C3C1C4(Cl)C(=C(Cl)C3(Cl)C4(Cl)Cl)Cl","1024-57-3","ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C(O4)C3Cl)Cl",{"$nulls":4},385.81600854000015,"?"]
[2802,"ClC1=C(Cl)C2(Cl)C3CO[S](=O)(=O)OCC3C1(Cl)C2(Cl)Cl","1031-07-8","O=S1(=O)OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1(OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)=O",{"$nulls":4},419.81179575200014,"?"]
[2803,"CN(C)[P](=O)(N(C)C)n1nc(nc1N)c2ccccc2","1031-47-6","CN(C)P(=O)(N(C)C)n1nc(-c2ccccc2)nc1N","CN(C)P(=O)(N(C)C)n1c(nc(n1)-c2ccccc2)N",{"$nulls":4},294.1357958580005,"?"]
[2804,null,"1032-44-6",{"$nulls":7},""]
[2805,"CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1","1034-01-1","CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1","CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O",{"$nulls":4},282.14672380400066,"?"]
[2806,"[Cl-].Cc1ccc(cc1)C2(O)CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2","1050-79-9","Cc1ccc(C2(O)CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)cc1","Cc1ccc(cc1)C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O","[Cl-]",{"$nulls":3},391.1714350040008,"Structure has been neutralized"]
[2807,"C[Si](C)(O)O","1066-42-8","C[Si](C)(O)O","C[Si](C)(O)O",{"$nulls":4},92.029356026,"?"]
[2808,"[Cl]|[Pb](CC)(CC)CC","1067-14-7",{"$nulls":7},""]
[2809,"CCCC[Sn](|[O]C(C)=O)(|[O]C(C)=O)CCCC","1067-33-0",{"$nulls":7},""]
[2810,"OCC(O)C(O)C(O)C(O)C(O)CO","1069-00-7","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",{"$nulls":4},212.089602852,"?"]
[2811,"OC(=O)CNC[P](O)(O)=O","1071-83-6","O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O",{"$nulls":4},169.014008986,"?"]
[2812,"S=C1NNC(=S)S1","1072-71-5","S=c1[nH][nH]c(=S)s1","S=c1sc([nH][nH]1)=S",{"$nulls":4},149.938011064,"?"]
[2813,"Fc1ccccc1Br","1072-85-1","Fc1ccccc1Br","Fc1c(cccc1)Br",{"$nulls":4},173.948040448,"?"]
[2814,"Fc1cccc(Br)c1","1073-06-9","Fc1cccc(Br)c1","Fc1cc(ccc1)Br",{"$nulls":4},173.948040448,"?"]
[2815,null,"1076-60-4",{"$nulls":7},""]
[2816,"CCCCCCc1ccccc1","1077-16-3","CCCCCCc1ccccc1","CCCCCCc1ccccc1",{"$nulls":4},162.140850576,"?"]
[2817,"CCCCCCCc1ccccc1","1078-71-3","CCCCCCCc1ccccc1","CCCCCCCc1ccccc1",{"$nulls":4},176.15650064,"?"]
[2818,"OC(=O)c1c(c(c(c(c1[2H])[2H])[2H])[2H])[2H]","1079-02-3","[2H]c1c([2H])c([2H])c(C(=O)O)c([2H])c1[2H]","[2H]c1c(c(c(c(c1[2H])[2H])C(=O)O)[2H])[2H]",{"$nulls":4},122.036779432,"?"]
[2819,"Cc1ccc(cc1)[S](=O)(=O)NCC(O)=O","1080-44-0","Cc1ccc(S(=O)(=O)NCC(=O)O)cc1","Cc1ccc(cc1)S(=O)(=O)NCC(=O)O",{"$nulls":4},229.040878832,"?"]
[2820,"CCCCCCOC(=O)c1ccc(O)cc1","1083-27-8","CCCCCCOC(=O)c1ccc(O)cc1","CCCCCCOC(=O)c1ccc(cc1)O",{"$nulls":4},222.125594436,"?"]
[2821,"CCCCCCCOC(=O)c1ccc(O)cc1","1085-12-7","CCCCCCCOC(=O)c1ccc(O)cc1","CCCCCCCOC(=O)c1ccc(cc1)O",{"$nulls":4},236.1412445,"?"]
[2822,"CN(C)[S](=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1","1085-98-9","CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1","CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1",{"$nulls":4},331.9623031720003,"?"]
[2823,"CC(C)(C)C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C","1107-99-9","CC(C)(C)C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C","CC(C)(C)C(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O",{"$nulls":4},444.25118887200097,"?"]
[2824,"CNC(=O)CS[P](=O)(OC)OC","1113-02-6","CNC(=O)CSP(=O)(OC)OC","CNC(=O)CSP(=O)(OC)OC",{"$nulls":4},213.022465494,"?"]
[2825,"CCCCN(CC)C(=O)SCCC","1114-71-2","CCCCN(CC)C(=O)SCCC","CCCCN(CC)C(=O)SCCC",{"$nulls":4},203.134385292,"?"]
[2826,"CSCC[CH](NC(C)=O)C([O-])=O","1115-47-5","CSCCC(NC(C)=O)C(=O)[O-]","CSCCC(NC(C)=O)C(=O)O",{"$nulls":4},190.053789244,"Structure has been neutralized"]
[2827,null,"1115-51-1",{"$nulls":7},""]
[2828,null,"1115-61-3",{"$nulls":7},""]
[2829,"CCCCCC(N)C(O)=O","1115-90-8","CCCCCC(N)C(=O)O","CCCCCC(N)C(=O)O",{"$nulls":4},145.11027872,"?"]
[2830,"OCCN(CCO)N=O","1116-54-7","O=NN(CCO)CCO","O=NN(CCO)CCO",{"$nulls":4},134.06914218,"?"]
[2831,"CCCCCCCCN(CCCCCCCC)CCCCCCCC","1116-76-3","CCCCCCCCN(CCCCCCCC)CCCCCCCC","CCCCCCCCN(CCCCCCCC)CCCCCCCC",{"$nulls":4},353.4021506320014,"?"]
[2832,"CC(C)(C)NC(N)=O","1118-12-3","CC(C)(C)NC(N)=O","CC(C)(C)NC(N)=O",{"$nulls":4},116.094963004,"?"]
[2833,"C[Si](C)(O)O[Si](C)(C)O","1118-15-6","C[Si](C)(O)O[Si](C)(C)O","C[Si](C)(O)O[Si](C)(C)O",{"$nulls":4},166.048147368,"?"]
[2834,"COC(=O)CCCC(=O)OC","1119-40-0","COC(=O)CCCC(=O)OC","COC(=O)CCCC(=O)OC",{"$nulls":4},160.073558864,"?"]
[2835,"OC(=O)CCSSCCC(O)=O","1119-62-6","O=C(O)CCSSCCC(=O)O","O=C(O)CCSSCCC(=O)O",{"$nulls":4},210.0020508,"?"]
[2836,"CCCCC#CC","1119-65-9","CC#CCCCC","CC#CCCCC",{"$nulls":4},96.093900384,"?"]
[2837,"CCCCCCCCCCC","1120-21-4","CCCCCCCCCCC","CCCCCCCCCCC",{"$nulls":4},156.187800768,"?"]
[2838,"Cc1cc(C)c(C)cn1","1122-39-0","Cc1cc(C)c(C)cn1","Cc1ncc(c(c1)C)C",{"$nulls":4},121.08914935199999,"?"]
[2839,"CN(C)c1cc[nH+]cc1","1122-58-3","CN(C)c1cc[nH+]cc1","CN(C)c1ccncc1",{"$nulls":4},123.09222335199999,"Structure has been neutralized"]
[2840,"CCc1cccc(C)n1","1122-69-6","CCc1cccc(C)n1","CCc1nc(ccc1)C",{"$nulls":4},121.08914935199999,"?"]
[2841,"OC(=O)C1(O)CCCCC1","1123-28-0","O=C(O)C1(O)CCCCC1","O=C(O)C1(CCCCC1)O",{"$nulls":4},144.07864424399997,"?"]
[2842,"Cc1cc(Cl)cc(C)c1O","1123-63-3","Cc1cc(Cl)cc(C)c1O","Cc1c(c(cc(c1)Cl)C)O",{"$nulls":4},156.034192588,"?"]
[2843,"Oc1ccc2CCCCc2c1","1125-78-6","Oc1ccc2c(c1)CCCC2","Oc1cc2c(cc1)CCCC2",{"$nulls":4},148.088815004,"?"]
[2844,null,"1125-82-2",{"$nulls":7},""]
[2845,null,"1125-84-4",{"$nulls":7},""]
[2846,"Oc1ccc(CC=C)cc1O","1126-61-0","C=CCc1ccc(O)c(O)c1","C=CCc1cc(c(cc1)O)O",{"$nulls":4},150.06807956,"?"]
[2847,"CCc1cccc2ccccc12","1127-76-0","CCc1cccc2ccccc12","CCc1c2c(ccc1)cccc2",{"$nulls":4},156.093900384,"?"]
[2848,"CNC(=O)Oc1cccc(C)c1","1129-41-5","CNC(=O)Oc1cccc(C)c1","CNC(=O)Oc1cc(ccc1)C",{"$nulls":4},165.078978592,"?"]
[2849,"Cc1cc(N)n(n1)c2ccccc2","1131-18-6","Cc1cc(N)n(-c2ccccc2)n1","Cc1nn(c(c1)N)-c2ccccc2",{"$nulls":4},173.095297352,"?"]
[2850,"Oc1ccc(cc1)C2CCCCC2","1131-60-8","Oc1ccc(C2CCCCC2)cc1","Oc1ccc(cc1)C2CCCCC2",{"$nulls":4},176.120115132,"?"]
[2851,"CCSC(=O)N(CC)C1CCCCC1","1134-23-2","CCSC(=O)N(CC)C1CCCCC1","CCSC(=O)N(CC)C1CCCCC1",{"$nulls":4},215.134385292,"?"]
[2852,"[Cl]|[Sn](|[Cl])(c1ccccc1)c2ccccc2","1135-99-5",{"$nulls":7},""]
[2853,"CCCCN1C(=O)N(C)c2ncn(C)c2C1=O","1143-30-2","CCCCn1c(=O)c2c(ncn2C)n(C)c1=O","CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",{"$nulls":4},236.127325752,"?"]
[2854,"Cc1ccc(cc1)[S](=O)(=O)NC(=O)NN2CCCCCC2","1156-19-0","Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1","Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2",{"$nulls":4},311.1303625320006,"?"]
[2855,"NCc1ccc(cc1)[S](N)(=O)=O.NC(=S)N[S](=O)(=O)c2ccc(N)cc2","1161-88-2","NC(=S)NS(=O)(=O)c1ccc(N)cc1","NC(=S)NS(=O)(=O)c1ccc(cc1)N","NCc1ccc(cc1)S(N)(=O)=O",{"$nulls":3},417.059917088,"?"]
[2856,"C[CH]1C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]2(C)[C]1(O)C(=O)COC(C)=O","1177-87-3","CC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CC(=O)OCC(=O)C1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O",{"$nulls":4},434.21046693200077,"?"]
[2857,"COC1[CH](O)C(C)O[CH](O[CH]2CC[C]3(C=O)[CH](CCC4C3CC[C]5(C)[CH](CC[C]45O)C6=CC(=O)OC6)C2)C1O","1182-87-2","COC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1O","COC1C(C(OC(C1O)C)OC2CC3C(CC2)(C4C(CC3)C5(C(CC4)(C)C(C=6COC(C6)=O)CC5)O)C=O)O",{"$nulls":4},548.2985329880012,"?"]
[2858,"CCC(C)(C)CO","1185-33-7","CCC(C)(C)CO","CCC(C)(C)CO",{"$nulls":4},102.104465068,"?"]
[2859,null,"1186-78-3",{"$nulls":7},""]
[2860,null,"1186-79-4",{"$nulls":7},""]
[2861,"N[CH]([CH](O)C(O)=O)C(O)=O","1186-90-9","NC(C(=O)O)C(O)C(=O)O","NC(C(=O)O)C(O)C(=O)O",{"$nulls":4},149.032422324,"?"]
[2862,"CCN(CC)C(=O)N(CC)CC","1187-03-7","CCN(CC)C(=O)N(CC)CC","CCN(CC)C(=O)N(CC)CC",{"$nulls":4},172.15756326,"?"]
[2863,"CC(C)C[CH](N)C(=O)NCC(=O)NCC(O)=O","1187-50-4","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O",{"$nulls":4},245.137556088,"?"]
[2864,"CC(C)C[CH](NC(C)=O)C(O)=O","1188-21-2","CC(=O)NC(CC(C)C)C(=O)O","CC(=O)NC(CC(C)C)C(=O)O",{"$nulls":4},173.10519334,"?"]
[2865,"CC1COC(C)(C)O1","1193-11-9","CC1COC(C)(C)O1","CC1OC(OC1)(C)C",{"$nulls":4},116.083729624,"?"]
[2866,"OC1=CC(=O)NC=N1","1193-24-4","O=c1cc(O)nc[nH]1","O=c1[nH]cnc(c1)O",{"$nulls":4},112.027277368,"?"]
[2867,"Clc1cccc(Cl)c1C#N","1194-65-6","N#Cc1c(Cl)cccc1Cl","N#Cc1c(cccc1Cl)Cl",{"$nulls":4},170.964254456,"?"]
[2868,"Oc1ccc(O)c(C=O)c1","1194-98-5","O=Cc1cc(O)ccc1O","O=Cc1c(ccc(c1)O)O",{"$nulls":4},138.031694052,"?"]
[2869,"NCC1CCC(CC1)C(O)=O","1197-18-8","NCC1CCC(C(=O)O)CC1","NCC1CCC(CC1)C(=O)O",{"$nulls":4},157.11027872,"?"]
[2870,"Cc1cc(C)c2ccccc2n1","1198-37-4","Cc1cc(C)c2ccccc2n1","Cc1nc2c(c(c1)C)cccc2",{"$nulls":4},157.089149352,"?"]
[2871,"Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl","1198-55-6","Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl","Oc1c(c(c(c(c1O)Cl)Cl)Cl)Cl",{"$nulls":4},245.880890024,"?"]
[2872,"CN(C)CCCc1ccccc1","1199-99-1","CN(C)CCCc1ccccc1","CN(C)CCCc1ccccc1",{"$nulls":4},163.136099544,"?"]
[2873,"CC(NC(=O)c1ccccc1)C(O)=O","1205-02-3","CC(NC(=O)c1ccccc1)C(=O)O","CC(NC(=O)c1ccccc1)C(=O)O",{"$nulls":4},193.073893212,"?"]
[2874,"COC(=O)CNC(=O)c1ccccc1","1205-08-9","COC(=O)CNC(=O)c1ccccc1","COC(=O)CNC(=O)c1ccccc1",{"$nulls":4},193.073893212,"?"]
[2875,"CN1c2ccccc2Sc3ccccc13","1207-72-3","CN1c2ccccc2Sc2ccccc21","CN1c2c(Sc3c1cccc3)cccc2",{"$nulls":4},213.061220352,"?"]
[2876,"C(Nc1ncnc2nc[nH]c12)c3ccccc3","1214-39-7","c1ccc(CNc2ncnc3nc[nH]c23)cc1","c1ccc(cc1)CNc2c3c(ncn2)nc[nH]3",{"$nulls":4},225.10144535199998,"?"]
[2877,"CCCCCCCCOC(=O)c1ccc(O)cc1","1219-38-1","CCCCCCCCOC(=O)c1ccc(O)cc1","CCCCCCCCOC(=O)c1ccc(cc1)O",{"$nulls":4},250.156894564,"?"]
[2878,"CC1COCc2cc3c(cc12)C(C)(C)C(C)C3(C)C","1222-05-5","CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C","CC1c2c(COC1)cc3C(C(C(c3c2)(C)C)C)(C)C",{"$nulls":4},258.1983654520001,"?"]
[2879,"[Br-].CC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4","1239-45-8","CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21","CC[n+]1c2c(c3c(c1-c4ccccc4)cc(N)cc3)ccc(N)c2","[Br-]",{"$nulls":3},393.0840597400006,"?"]
[2880,"CCCCC(CC)CO[P](=O)(Oc1ccccc1)Oc2ccccc2","1241-94-7","CCCCC(CC)COP(=O)(Oc1ccccc1)Oc1ccccc1","CCCCC(CC)COP(=O)(Oc1ccccc1)Oc2ccccc2",{"$nulls":4},362.1646959740007,"?"]
[2881,"CN1N(C(=O)C(=C1C)CC2=C(C)N(C)N(C2=O)c3ccccc3)c4ccccc4","1251-85-0","Cc1c(Cc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C","Cc1n(n(c(c1Cc2c(n(n(c2C)C)-c3ccccc3)=O)=O)-c4ccccc4)C",{"$nulls":4},388.18992600800067,"?"]
[2882,"Cc1c(C(O)=O)c(O)cc2C(=O)c3c(O)c(O)c([CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)c(O)c3C(=O)c12","1260-17-9","Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O",{"$nulls":4},492.0903907000004,"?"]
[2883,null,"1300-21-6",{"$nulls":7},""]
[2884,"Cc1cccc(N)c1C","1300-73-8","Cc1cccc(N)c1C","Cc1c(c(ccc1)N)C",{"$nulls":4},121.08914935199999,"?"]
[2885,"OC(=O)c1cc(I)cc(I)c1O","1321-04-6","O=C(O)c1cc(I)cc(I)c1O","O=C(O)c1c(c(cc(c1)I)I)O",{"$nulls":4},389.8249899880001,"?"]
[2886,"O=CC1CCC=CC1","1321-16-0","O=CC1CC=CCC1","O=CC1CCC=CC1",{"$nulls":4},110.07316494,"?"]
[2887,null,"1321-65-9",{"$nulls":7},""]
[2888,"Cc1cccc2ccccc12","1321-94-4","Cc1cccc2ccccc12","Cc1c2c(ccc1)cccc2",{"$nulls":4},142.07825032,"?"]
[2889,"Cc1cccc(C)c1","1330-20-7","Cc1cccc(C)c1","Cc1cc(ccc1)C",{"$nulls":4},106.07825032,"?"]
[2890,"Cc1ccc(O[P](=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3)cc1","1330-78-5","Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1","Cc1ccc(cc1)OP(=O)(Oc2ccc(cc2)C)Oc3ccc(cc3)C",{"$nulls":4},368.1177457820006,"?"]
[2891,"CC1CCC(=O)CC1","1331-22-2","CC1CCC(=O)CC1","CC1CCC(CC1)=O",{"$nulls":4},112.088815004,"?"]
[2892,"CC(C)C(C)C(C)C(O)C#CC(C)C(C)O","1333-17-1","CC(C)C(C)C(C)C(O)C#CC(C)C(C)O","CC(C)C(C)C(C)C(O)C#CC(C)C(C)O",{"$nulls":4},226.193280072,"?"]
[2893,"CC1OC(=O)C=C1","1333-38-6","CC1C=CC(=O)O1","CC1OC(C=C1)=O",{"$nulls":4},98.036779432,"?"]
[2894,"COc1ccc(cc1)C(O)=O","1335-08-6","COc1ccc(C(=O)O)cc1","COc1ccc(cc1)C(=O)O",{"$nulls":4},152.047344116,"?"]
[2895,"Clc1cc(cc(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2","1336-36-3","Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2cc(c(c(c2)Cl)Cl)Cl)Cl)Cl","PCBS",{"$nulls":3},449.8465044300001,"?"]
[2896,"Cc1c(C(O)=O)c(O)cc2C(=O)c3c(O)c(O)c(C4OC(CO)C(O)C(O)C4O)c(O)c3C(=O)c12","1390-65-4","Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O",{"$nulls":4},492.0903907000004,"?"]
[2897,"C[CH]1OC(=O)CC(O)CC(O)CC(O)CCC(O)C(O)C[C]2(O)CC(O)C(C(CC(O[CH]3O[CH](C)[CH](O)[CH](N)[CH]3O)C=CC=CC=CC=CCCC=CC=C[CH](C)[CH](O)[CH]1C)O2)C(O)=O","1400-61-9","CC1C=CC=CCCC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O","CC1C(C(C(OC(CC(CC(CC(CCC(C(CC2(OC(CC(C=CC=CC=CC=CCCC=CC=C1)OC3C(C(C(C(O3)C)O)N)O)C(C(C2)O)C(=O)O)O)O)O)O)O)O)=O)C)C)O",{"$nulls":4},925.5034999400021,"?"]
[2898,"OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)[CH]2c3cccc(O)c3C(=O)c4c(O)cc(CO)cc24","1415-73-2","O=C1c2c(O)cccc2C(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21","O=C1c2c(C(c3c1c(O)ccc3)C4C(C(C(C(O4)CO)O)O)O)cc(CO)cc2O",{"$nulls":4},418.12638228400056,"?"]
[2899,"NCCO.Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O","1420-04-8","O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O","NCCO",{"$nulls":3},387.03887594000025,"?"]
[2900,"C1CN(CCO1)C(c2ccccc2)(c3ccccc3)c4ccccc4","1420-06-0","c1ccc(C(c2ccccc2)(c2ccccc2)N2CCOCC2)cc1","c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCOCC4",{"$nulls":4},329.17796435600064,"?"]
[2901,"CC(C)(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O","1420-07-1","CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O","CC(C)(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",{"$nulls":4},240.074621484,"?"]
[2902,"[O-][N+](=O)c1ccc(NN=C2C=CC(=O)C=C2)cc1","1435-60-5","O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)C=C1","O=C1C=CC(C=C1)=NNc2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},243.064391148,"?"]
[2903,"CC(C)O[P](C)(=O)OC(C)C","1445-75-6",null,null,"CC(C)OP(C)(=O)OC(C)C",{"$nulls":3},467.9789268220002,"?"]
[2904,"NC(=O)c1ccccn1","1452-77-3","NC(=O)c1ccccn1","NC(=O)c1ncccc1",{"$nulls":4},122.048012812,"?"]
[2905,"CCCCCCCCCCCCCCCCCO","1454-85-9","CCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCO",{"$nulls":4},256.276615772,"?"]
[2906,"CC1CN(CC(C)O1)N=O","1456-28-6","CC1CN(N=O)CC(C)O1","CC1OC(CN(C1)N=O)C",{"$nulls":4},144.089877624,"?"]
[2907,"COC(=O)c1cccc(c1)C(=O)OC","1459-93-4","COC(=O)c1cccc(C(=O)OC)c1","COC(=O)c1cc(ccc1)C(=O)OC",{"$nulls":4},194.0579088,"?"]
[2908,"[Cl]|[Sn](CCCC)(CCCC)CCCC","1461-22-9",{"$nulls":7},""]
[2909,"Cc1ccc(C)c(C)n1","1462-84-6","Cc1ccc(C)c(C)n1","Cc1nc(c(cc1)C)C",{"$nulls":4},121.08914935199999,"?"]
[2910,"OC[CH]1O[CH](Oc2ccccc2)[CH](O)[CH](O)[CH]1O","1464-44-4","OCC1OC(Oc2ccccc2)C(O)C(O)C1O","OCC1C(C(C(C(O1)Oc2ccccc2)O)O)O",{"$nulls":4},256.094688232,"?"]
[2911,"C1OC1C2CO2","1464-53-5","C1OC1C1CO1","C1C(O1)C2OC2",{"$nulls":4},86.036779432,"?"]
[2912,"Oc1ccc2CCCc2c1","1470-94-6","Oc1ccc2c(c1)CCC2","Oc1cc2c(cc1)CCC2",{"$nulls":4},134.07316494,"?"]
[2913,"ClCC=CCCl","1476-11-5","ClCC=CCCl","ClCC=CCCl",{"$nulls":4},123.98465555199999,"?"]
[2914,"CC[CH]1CCCCN1","1484-80-6","CCC1CCCCN1","CCC1NCCCC1",{"$nulls":4},113.12044947999999,"?"]
[2915,"CC(C)C1CCC(C)CC1O","1490-04-6","CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O",{"$nulls":4},156.15141526,"?"]
[2916,"O=C1CCCCC1C2=CCCCC2","1502-22-3","O=C1CCCCC1C1=CCCCC1","O=C1C(CCCC1)C=2CCCCC2",{"$nulls":4},178.135765196,"?"]
[2917,"CC(=O)Oc1ccc(Br)cc1C(O)=O","1503-53-3","CC(=O)Oc1ccc(Br)cc1C(=O)O","CC(=O)Oc1c(cc(cc1)Br)C(=O)O",{"$nulls":4},257.95277080400007,"?"]
[2918,"CSCCC(NC(C)=O)C(O)=O","1509-92-8","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",{"$nulls":4},191.061614276,"?"]
[2919,"CC(O)c1ccccc1","1517-69-7","CC(O)c1ccccc1","CC(O)c1ccccc1",{"$nulls":4},122.07316494,"?"]
[2920,"[Cl]|[Pb](C)(C)C","1520-78-1",{"$nulls":7},""]
[2921,"CCN(CC)C(=O)CCC(O)=O","1522-00-5","CCN(CC)C(=O)CCC(=O)O","CCN(CC)C(=O)CCC(=O)O",{"$nulls":4},173.10519334,"?"]
[2922,"CNC(=O)Oc1cccc2CC(C)(C)Oc12","1563-66-2","CNC(=O)Oc1cccc2c1OC(C)(C)C2","CNC(=O)Oc1c2c(ccc1)CC(O2)(C)C",{"$nulls":4},221.10519334,"?"]
[2923,"CC(=C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(OCC(O)COC(=O)C(C)=C)cc2","1565-94-2","C=C(C)C(=O)OCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COC(=O)C(=C)C)cc2)cc1","C=C(C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(cc2)OCC(O)COC(=O)C(=C)C",{"$nulls":4},512.2410181120009,"?"]
[2924,"COc1ccc(NC(N)=O)cc1","1566-42-3","COc1ccc(NC(N)=O)cc1","COc1ccc(cc1)NC(N)=O",{"$nulls":4},166.07422756,"?"]
[2925,"COc1ccc(O)c(c1)[N+]([O-])=O","1568-70-3","COc1ccc(O)c([N+](=O)[O-])c1","COc1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},169.037507704,"?"]
[2926,"CCCOCC(C)O","1569-01-3","CCCOCC(C)O","CCCOCC(C)O",{"$nulls":4},118.099379688,"?"]
[2927,"CC=CC(C)O","1569-50-2","CC=CC(C)O","CC=CC(C)O",{"$nulls":4},86.07316494,"?"]
[2928,"Cc1cc(Cl)ccc1O","1570-64-5","Cc1cc(Cl)ccc1O","Cc1c(ccc(c1)Cl)O",{"$nulls":4},142.018542524,"?"]
[2929,"Cc1cc(Cl)cc(Cl)c1O","1570-65-6","Cc1cc(Cl)cc(Cl)c1O","Cc1c(c(cc(c1)Cl)Cl)O",{"$nulls":4},175.979570172,"?"]
[2930,"O[P](O)(=O)c1ccccc1","1571-33-1","O=P(O)(O)c1ccccc1","O=P(O)(O)c1ccccc1",{"$nulls":4},158.013280714,"?"]
[2931,null,"1576-42-7",{"$nulls":7},""]
[2932,null,"1578-21-8",{"$nulls":7},""]
[2933,null,"1578-72-9",{"$nulls":7},""]
[2934,"CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","1582-09-8","CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},335.1092906520004,"?"]
[2935,"CCCCOC(=O)CC(O)C(=O)OCCCC","1587-18-4","CCCCOC(=O)CC(O)C(=O)OCCCC","CCCCOC(=O)CC(O)C(=O)OCCCC",{"$nulls":4},246.146723804,"?"]
[2936,null,"1589-36-2",{"$nulls":7},""]
[2937,"NC(=O)NN=C1CCCCC1","1589-61-3","NC(=O)NN=C1CCCCC1","NC(=O)NN=C1CCCCC1",{"$nulls":4},155.105862036,"?"]
[2938,"OC(=O)CCC(=O)c1ccc2ccccc2c1","1590-22-3","O=C(O)CCC(=O)c1ccc2ccccc2c1","O=C(O)CCC(=O)c1cc2c(cc1)cccc2",{"$nulls":4},228.078644244,"?"]
[2939,"CN(C)NC(=O)CCC(O)=O","1596-84-5","CN(C)NC(=O)CCC(=O)O","CN(C)NC(=O)CCC(=O)O",{"$nulls":4},160.084792244,"?"]
[2940,"[Hg++].CC([O-])=O.CC([O-])=O","1600-27-7","[Hg+2]","[Hg+2]","CC([O-])=O","CC([O-])=O",null,null,319.99725167200006,"?"]
[2941,"OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O","1607-17-6","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]",{"$nulls":4},271.02879348800025,"?"]
[2942,"CCNc1nc(NC(C)C)nc(OC)n1","1610-17-9","CCNc1nc(NC(C)C)nc(OC)n1","CCNc1nc(nc(n1)NC(C)C)OC",{"$nulls":4},211.14331016399998,"?"]
[2943,"COc1nc(NC(C)C)nc(NC(C)C)n1","1610-18-0","COc1nc(NC(C)C)nc(NC(C)C)n1","COc1nc(nc(n1)NC(C)C)NC(C)C",{"$nulls":4},225.15896022799998,"?"]
[2944,"C=CC=CC#N","1615-70-9","C=CC=CC#N","C=CC=CC#N",{"$nulls":4},79.04219916,"?"]
[2945,"[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1","1622-61-3","O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1","O=C1Nc2c(C(=NC1)c3c(cccc3)Cl)cc([N+](=O)[O-])cc2",{"$nulls":4},315.0410688600003,"?"]
[2946,"CN(C)C1CSSC1","1631-58-9","CN(C)C1CSSC1","CN(C)C1CSSC1",{"$nulls":4},149.033291352,"?"]
[2947,"COC(C)(C)C","1634-04-4","COC(C)(C)C","COC(C)(C)C",{"$nulls":4},88.088815004,"?"]
[2948,"CCOC(=O)CC(S[P](=O)(OC)OC)C(=O)OCC","1634-78-2","CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC","CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC",{"$nulls":4},314.0589105780005,"?"]
[2949,"CCCCCCCS","1639-09-4","CCCCCCCS","CCCCCCCS",{"$nulls":4},132.097271512,"?"]
[2950,"CNC(=O)ON=CC(C)(C)[S](C)=O","1646-87-3","CNC(=O)ON=CC(C)(C)S(C)=O","CNC(=O)ON=CC(C)(C)S(C)=O",{"$nulls":4},206.072513308,"?"]
[2951,"CNC(=O)ON=CC(C)(C)[S](C)(=O)=O","1646-88-4","CNC(=O)ON=CC(C)(C)S(C)(=O)=O","CNC(=O)ON=CC(C)(C)S(C)(=O)=O",{"$nulls":4},222.067427928,"?"]
[2952,"FC(F)(Cl)CCl","1649-08-7","FC(F)(Cl)CCl","FC(F)(Cl)CCl",{"$nulls":4},133.950161864,"?"]
[2953,"CCCCCCCCCC(C)O","1653-30-1","CCCCCCCCCC(C)O","CCCCCCCCCC(C)O",{"$nulls":4},172.182715388,"?"]
[2954,"CC(C)CCCCCO","1653-40-3","CC(C)CCCCCO","CC(C)CCCCCO",{"$nulls":4},130.135765196,"?"]
[2955,"Cc1cnc2c(ccc3c(C)c(C)cnc23)c1C","1660-93-1","Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C","Cc1c(c2c(nc1)c3c(cc2)c(C)c(C)cn3)C",{"$nulls":4},236.131348512,"?"]
[2956,"CN(C)CCC=C1c2ccccc2COc3ccccc13","1668-19-5","CN(C)CCC=C1c2ccccc2COc2ccccc21","CN(C)CCC=C1c2c(OCc3c1cccc3)cccc2",{"$nulls":4},279.1623142920006,"?"]
[2957,"CCC1CCCCC1","1678-91-7","CCC1CCCCC1","CCC1CCCCC1",{"$nulls":4},112.12520051199999,"?"]
[2958,"CC1(C)C2CC3OC3(C)C1C2","1686-14-2","CC1(C)C2CC3OC3(C)C1C2","CC1(C2C3(C(CC1C2)O3)C)C",{"$nulls":4},152.120115132,"?"]
[2959,"CC1(C)OC(=O)c2ccccc12","1689-09-4","CC1(C)OC(=O)c2ccccc21","CC1(c2c(C(O1)=O)cccc2)C",{"$nulls":4},162.06807956,"?"]
[2960,"O=C1C=CC(C=C1)=NNc2ccccc2","1689-82-3","O=C1C=CC(=NNc2ccccc2)C=C1","O=C1C=CC(C=C1)=NNc2ccccc2",{"$nulls":4},198.07931294,"?"]
[2961,"Oc1c(I)cc(cc1I)C#N","1689-83-4","N#Cc1cc(I)c(O)c(I)c1","N#Cc1cc(c(c(c1)I)O)I",{"$nulls":4},370.83040971600013,"?"]
[2962,"Oc1c(Br)cc(cc1Br)C#N","1689-84-5","N#Cc1cc(Br)c(O)c(Br)c1","N#Cc1cc(c(c(c1)Br)O)Br",{"$nulls":4},274.8581379160001,"?"]
[2963,"CCCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N","1689-99-2","CCCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br","CCCCCCCC(=O)Oc1c(cc(cc1Br)C#N)Br",{"$nulls":4},400.9626029840005,"?"]
[2964,"ClC1=C(Cl)C(=O)N(N=C1)c2ccccc2","1698-53-9","O=c1c(Cl)c(Cl)cnn1-c1ccccc1","O=c1n(ncc(c1Cl)Cl)-c2ccccc2",{"$nulls":4},239.985718172,"?"]
[2965,"NC1=C(Cl)C(=O)N(N=C1)c2ccccc2","1698-60-8","Nc1cnn(-c2ccccc2)c(=O)c1Cl","Nc1c(c(n(nc1)-c2ccccc2)=O)Cl",{"$nulls":4},221.035589556,"?"]
[2966,"OC(=O)c1nc(Cl)ccc1Cl","1702-17-6","O=C(O)c1nc(Cl)ccc1Cl","O=C(O)c1c(ccc(n1)Cl)Cl",{"$nulls":4},190.954083696,"?"]
[2967,"OC(=O)CC(C(CC(O)=O)C(O)=O)C(O)=O","1703-58-8","O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O","O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O",{"$nulls":4},234.03756728000002,"?"]
[2968,"Cc1cc2c3ccccc3ccc2c4ccccc14","1705-85-7","Cc1cc2c3ccccc3ccc2c2ccccc12","Cc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2",{"$nulls":4},242.109550448,"?"]
[2969,null,"1708-33-4",{"$nulls":7},""]
[2970,"CC(C)O[N+]([O-])=O","1712-64-7","CC(C)O[N+](=O)[O-]","CC(C)O[N+](=O)[O-]",{"$nulls":4},105.042593084,"?"]
[2971,"CC(F)(Cl)Cl","1717-00-6","CC(F)(Cl)Cl","CC(F)(Cl)Cl",{"$nulls":4},115.959583676,"?"]
[2972,"Cc1cccc2c1Cc3ccccc23","1730-37-6","Cc1cccc2c1Cc1ccccc1-2","Cc1c2c(ccc1)-c3c(C2)cccc3",{"$nulls":4},180.093900384,"?"]
[2973,"COc1ccc2Nc3cc(Cl)ccc3Sc2c1","1730-44-5","COc1ccc2c(c1)Sc1ccc(Cl)cc1N2","COc1cc2c(cc1)Nc3c(S2)ccc(Cl)c3",{"$nulls":4},263.0171626200002,"?"]
[2974,"CCCCCCCCC(=O)OC","1731-84-6","CCCCCCCCC(=O)OC","CCCCCCCCC(=O)OC",{"$nulls":4},172.14632988,"?"]
[2975,"C1Cc2ccc3CCCc4ccc(C1)c2c34","1732-13-4","c1cc2c3c(ccc4c3c1CCC4)CCC2","c1c2c3c4c(c1)CCCc4ccc3CCC2",{"$nulls":4},208.125200512,"?"]
[2976,"CC(C)c1ccc2c(CC[CH]3[C](C)(CCC[C]23C)C(O)=O)c1","1740-19-8","CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C","CC(C)c1cc2c(cc1)C3(C(CC2)C(C)(C(=O)O)CCC3)C",{"$nulls":4},300.2089301360008,"?"]
[2977,"C1NNCN2CNNCN12","1743-13-1","C1NNCN2CNNCN12","C1N2N(CNN1)CNNC2",{"$nulls":4},144.11234438399998,"?"]
[2978,"Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl","1746-01-6","Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2","Clc1c(cc2c(c1)Oc3c(O2)cc(Cl)c(Cl)c3)Cl",{"$nulls":4},319.8965400880001,"?"]
[2979,"CON(C)C(=O)Nc1ccc(Cl)cc1","1746-81-2","CON(C)C(=O)Nc1ccc(Cl)cc1","CON(C)C(=O)Nc1ccc(cc1)Cl",{"$nulls":4},214.050905272,"?"]
[2980,"O=C(Nc1ccccc1)c2cccnc2","1752-96-1","O=C(Nc1ccccc1)c1cccnc1","O=C(Nc1ccccc1)c2cnccc2",{"$nulls":4},198.07931294,"?"]
[2981,null,"1753-29-3",{"$nulls":7},""]
[2982,"CC(N=C(N)N)C(O)=O","1758-74-3","CC(N=C(N)N)C(=O)O","CC(N=C(N)N)C(=O)O",{"$nulls":4},131.069476528,"?"]
[2983,"Oc1ccc(Br)cc1C=O","1761-61-1","O=Cc1cc(Br)ccc1O","O=Cc1c(ccc(c1)Br)O",{"$nulls":4},199.9472915,"?"]
[2984,"[NH4+].[S-]C#N","1762-95-4","N#C[S-]","N#CS","[NH4+]",{"$nulls":3},76.009519128,"Structure has been neutralized"]
[2985,"OCc1ccc(Cl)cc1Cl","1777-82-8","OCc1ccc(Cl)cc1Cl","OCc1c(cc(cc1)Cl)Cl",{"$nulls":4},175.979570172,"?"]
[2986,"O[P+](=O)c1ccccc1","1779-48-2","O=[P+](O)c1ccccc1","O=[P+](O)c1ccccc1",{"$nulls":4},141.01054106200002,"Errors in neutralization"]
[2987,"[O-][N+](=O)CCl","1794-84-9","O=[N+]([O-])CCl","O=[N+]([O-])CCl",{"$nulls":4},94.977405984,"?"]
[2988,"CC(NO)=CN=O","1804-15-5","CC(=CN=O)NO","CC(=CN=O)NO",{"$nulls":4},102.042927432,"?"]
[2989,"OCc1ccc(Cl)c(Cl)c1","1805-32-9","OCc1ccc(Cl)c(Cl)c1","OCc1cc(c(cc1)Cl)Cl",{"$nulls":4},175.979570172,"?"]
[2990,"CCCCO[P+](=O)OCCCC","1809-19-4","CCCCO[P+](=O)OCCCC","CCCCO[P+](=O)OCCCC",{"$nulls":4},193.09935606599998,"Errors in neutralization"]
[2991,"COCCCNc1nc(Cl)nc(NC(C)C)n1","1824-09-5","COCCCNc1nc(Cl)nc(NC(C)C)n1","COCCCNc1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},259.1199878760001,"?"]
[2992,"Clc1cccc2c(Cl)cccc12","1825-30-5","Clc1cccc2c(Cl)cccc12","Clc1c2c(ccc1)c(Cl)ccc2",{"$nulls":4},195.984655552,"?"]
[2993,"Clc1ccc(Cl)c2ccccc12","1825-31-6","Clc1ccc(Cl)c2ccccc12","Clc1c2c(c(cc1)Cl)cccc2",{"$nulls":4},195.984655552,"?"]
[2994,"OC(=O)c1cccc(Cl)c1O","1829-32-9","O=C(O)c1cccc(Cl)c1O","O=C(O)c1c(c(ccc1)Cl)O",{"$nulls":4},171.9927217,"?"]
[2995,"CCN(CC)C(=O)CSc1ccc(Cl)nn1","1830-32-6","CCN(CC)C(=O)CSc1ccc(Cl)nn1","CCN(CC)C(=O)CSc1nnc(cc1)Cl",{"$nulls":4},259.0546107480001,"?"]
[2996,"[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1","1836-75-5","O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",{"$nulls":4},282.9802984440002,"?"]
[2997,"[O-][N+](=O)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1","1836-77-7","O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2Cl)Cl)Cl",{"$nulls":4},316.94132609200017,"?"]
[2998,"CCCC(O)C(C)CC","1838-73-9","CCCC(O)C(C)CC","CCCC(O)C(C)CC",{"$nulls":4},130.135765196,"?"]
[2999,"Fc1ccc(cc1)C(CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)c5ccc(F)cc5","1841-19-6","O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2","O=C1C2(N(CN1)c3ccccc3)CCN(CC2)CCCC(c4ccc(cc4)F)c5ccc(cc5)F",{"$nulls":4},475.24351905200086,"?"]
[3000,"CCOC(=O)C1=Cc2ccccc2OC1=O","1846-76-0","CCOC(=O)c1cc2ccccc2oc1=O","CCOC(=O)c1c(oc2c(c1)cccc2)=O",{"$nulls":4},218.0579088,"?"]
[3001,"OC(=O)CCCCCCCCCC(O)=O","1852-04-6","O=C(O)CCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCC(=O)O",{"$nulls":4},216.13615912,"?"]
[3002,"COC(=O)c1c(Cl)c(Cl)c(c(Cl)c1Cl)C(=O)OC","1861-32-1","COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl","COC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)OC)Cl)Cl",{"$nulls":4},329.9020193920001,"?"]
[3003,"CCCCN(CC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","1861-40-1","CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},335.1092906520004,"?"]
[3004,"CC(O)COCc1c(Cl)ccc(Cl)c1Cl","1861-44-5","CC(O)COCc1c(Cl)ccc(Cl)c1Cl","CC(O)COCc1c(c(ccc1Cl)Cl)Cl",{"$nulls":4},267.9824626320003,"?"]
[3005,"[H+].[Cl-].CNC1(CCCCC1=O)c2ccccc2Cl","1867-66-9","CNC1(c2ccccc2Cl)CCCCC1=O","CNC1(C(CCCC1)=O)c2c(cccc2)Cl","[Cl-]","[H+]",null,null,273.068719524,"?"]
[3006,null,"1867-85-2",{"$nulls":7},""]
[3007,"OCCNC(=O)C(=O)NCCO","1871-89-2","O=C(NCCO)C(=O)NCCO","O=C(NCCO)C(=O)NCCO",{"$nulls":4},176.079706864,"?"]
[3008,"Nc1ncnc2n(cnc12)[C]3(CO)O[CH](CO)[CH](O)[CH]3O","1874-54-0","Nc1ncnc2c1ncn2C1(CO)OC(CO)C(O)C1O","Nc1c2c(ncn1)n(cn2)C3(C(C(C(O3)CO)O)O)CO",{"$nulls":4},297.10731858000037,"?"]
[3009,"Cc1ccccc1OCC(O)=O","1878-49-5","Cc1ccccc1OCC(=O)O","Cc1c(cccc1)OCC(=O)O",{"$nulls":4},166.06299418,"?"]
[3010,"OC(=O)COc1ccc(cc1)C2CCCCC2","1878-56-4","O=C(O)COc1ccc(C2CCCCC2)cc1","O=C(O)COc1ccc(cc1)C2CCCCC2",{"$nulls":4},234.12559443599997,"?"]
[3011,"OC(=O)COc1ccccc1[N+]([O-])=O","1878-87-1","O=C(O)COc1ccccc1[N+](=O)[O-]","O=C(O)COc1c(cccc1)[N+](=O)[O-]",{"$nulls":4},197.03242232399998,"?"]
[3012,"CC(C)(C)[S](=O)(=O)C(C)(C)C","1886-75-5","CC(C)(C)S(=O)(=O)C(C)(C)C","CC(C)(C)S(=O)(=O)C(C)(C)C",{"$nulls":4},178.102750816,"?"]
[3013,"ClC(Cl)=C(Cl)C(Cl)(Cl)Cl","1888-71-7","ClC(Cl)=C(Cl)C(Cl)(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)(Cl)Cl",{"$nulls":4},245.81311608,"?"]
[3014,"Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl","1897-45-6","N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl","N#Cc1c(c(c(c(c1Cl)Cl)Cl)C#N)Cl",{"$nulls":4},263.88155872,"?"]
[3015,"Brc1oc(C=O)cc1","1899-24-7","O=Cc1ccc(Br)o1","O=Cc1oc(cc1)Br",{"$nulls":4},173.931641436,"?"]
[3016,"Cc1cccc(c1)[S](N)(=O)=O","1899-94-1","Cc1cccc(S(N)(=O)=O)c1","Cc1cc(ccc1)S(N)(=O)=O",{"$nulls":4},171.035399528,"?"]
[3017,null,"1904-64-9",{"$nulls":7},""]
[3018,"[Cl-].[Cl-].C[n+]1ccc(cc1)c2cc[n+](C)cc2","1910-42-5","C[n+]1ccc(-c2cc[n+](C)cc2)cc1","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","[Cl-]","[Cl-]",null,null,256.053403808,"?"]
[3019,"CCNc1nc(Cl)nc(NC(C)C)n1","1912-24-9","CCNc1nc(Cl)nc(NC(C)C)n1","CCNc1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},215.09377312799998,"?"]
[3020,"CCN(CC)c1nc(Cl)nc(NC(C)C)n1","1912-25-0","CCN(CC)c1nc(Cl)nc(NC(C)C)n1","CCN(CC)c1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},243.12507325599998,"?"]
[3021,"CCNc1nc(Cl)nc(n1)N(CC)CC","1912-26-1","CCNc1nc(Cl)nc(N(CC)CC)n1","CCNc1nc(nc(n1)Cl)N(CC)CC",{"$nulls":4},229.10942319199998,"?"]
[3022,"Cc1oc(cc1)C(O)=O","1917-15-3","Cc1ccc(C(=O)O)o1","Cc1oc(cc1)C(=O)O",{"$nulls":4},126.031694052,"?"]
[3023,"COCc1oc(C=O)cc1","1917-64-2","COCc1ccc(C=O)o1","COCc1oc(cc1)C=O",{"$nulls":4},140.047344116,"?"]
[3024,"COc1c(Cl)ccc(Cl)c1C(O)=O","1918-00-9","COc1c(Cl)ccc(Cl)c1C(=O)O","COc1c(c(ccc1Cl)Cl)C(=O)O",{"$nulls":4},219.969399412,"?"]
[3025,"Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl","1918-02-1","Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl","Nc1c(c(nc(c1Cl)Cl)C(=O)O)Cl",{"$nulls":4},239.926010376,"?"]
[3026,"CCCN(CCC)c1c(cc(C)cc1[N+]([O-])=O)[N+]([O-])=O","1918-08-7","CCCN(CCC)c1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C)[N+](=O)[O-]",{"$nulls":4},281.1375560880005,"?"]
[3027,"CNC(=O)Oc1c(cc(C)cc1C(C)(C)C)C(C)(C)C","1918-11-2","CNC(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C","CNC(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C",{"$nulls":4},277.2041791040006,"?"]
[3028,"NC(=S)c1c(Cl)cccc1Cl","1918-13-4","NC(=S)c1c(Cl)cccc1Cl","NC(=S)c1c(cccc1Cl)Cl",{"$nulls":4},204.95197552,"?"]
[3029,"CC(C)N(C(=O)CCl)c1ccccc1","1918-16-7","CC(C)N(C(=O)CCl)c1ccccc1","CC(C)N(C(=O)CCl)c1ccccc1",{"$nulls":4},211.076391748,"?"]
[3030,"N[CH](CCO)C(O)=O","1927-25-9","NC(CCO)C(=O)O","NC(CCO)C(=O)O",{"$nulls":4},119.058243148,"?"]
[3031,"Oc1ccc2Nc3ccccc3Sc2c1","1927-44-2","Oc1ccc2c(c1)Sc1ccccc1N2","Oc1cc2c(cc1)Nc3c(S2)cccc3",{"$nulls":4},215.040484908,"?"]
[3032,"COC(=O)COc1ccc(Cl)cc1Cl","1928-38-7","COC(=O)COc1ccc(Cl)cc1Cl","COC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},233.985049476,"?"]
[3033,"CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl","1928-39-8","CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl","CCOC(=O)COc1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},281.9617271880003,"?"]
[3034,"CCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl","1928-44-5","CCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl","CCCCCCCCOC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},332.09459992400065,"?"]
[3035,"CCCOC(=O)COc1ccc(Cl)cc1Cl","1928-61-6","CCCOC(=O)COc1ccc(Cl)cc1Cl","CCCOC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},262.01634960400014,"?"]
[3036,"COc1ccc(CCC(O)=O)cc1","1929-29-9","COc1ccc(CCC(=O)O)cc1","COc1ccc(cc1)CCC(=O)O",{"$nulls":4},180.078644244,"?"]
[3037,"CCCCOCCOC(=O)COc1ccc(Cl)cc1Cl","1929-73-3","CCCCOCCOC(=O)COc1ccc(Cl)cc1Cl","CCCCOCCOC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},320.0582144160005,"?"]
[3038,"CCCSC(=O)N(CCC)CCC","1929-77-7","CCCSC(=O)N(CCC)CCC","CCCSC(=O)N(CCC)CCC",{"$nulls":4},203.134385292,"?"]
[3039,"Clc1cccc(n1)C(Cl)(Cl)Cl","1929-82-4","Clc1cccc(C(Cl)(Cl)Cl)n1","Clc1nc(ccc1)C(Cl)(Cl)Cl",{"$nulls":4},228.901959816,"?"]
[3040,"CNC(=O)Nc1sc2ccccc2n1","1929-88-0","CNC(=O)Nc1nc2ccccc2s1","CNC(=O)Nc1sc2c(n1)cccc2",{"$nulls":4},207.046632908,"?"]
[3041,"C1CCN(CC1)CCN2CCCCC2","1932-04-3","C1CCN(CCN2CCCCC2)CC1","C1CCN(CC1)CCN2CCCCC2",{"$nulls":4},196.19394876799998,"?"]
[3042,"[O-][N+](=O)C(Cl)([N+]([O-])=O)[N+]([O-])=O","1943-16-4","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},184.9475624,"Errors in neutralization"]
[3043,"CC(=C)C1CCC(C)(O)C(O)C1","1946-00-5","C=C(C)C1CCC(C)(O)C(O)C1","C=C(C)C1CC(C(CC1)(C)O)O",{"$nulls":4},170.130679816,"?"]
[3044,"CCCS[S](=O)CCC","1948-52-3","CCCSS(=O)CCC","CCCSS(=O)CCC",{"$nulls":4},166.048607068,"?"]
[3045,null,"1951-38-8",{"$nulls":7},""]
[3046,"CCC(=O)Oc1ccc(cc1)[N+]([O-])=O","1956-06-5","CCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},195.053157768,"?"]
[3047,null,"1956-07-6",{"$nulls":7},""]
[3048,"CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC","1962-75-0","CCCCOC(=O)c1ccc(C(=O)OCCCC)cc1","CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC",{"$nulls":4},278.1518091840006,"?"]
[3049,"CC(C)C(NC(=O)CN)C(O)=O","1963-21-9","CC(C)C(NC(=O)CN)C(=O)O","CC(C)C(NC(=O)CN)C(=O)O",{"$nulls":4},174.100442308,"?"]
[3050,"OCCNC(=O)CCCCC(=O)NCCO","1964-73-4","O=C(CCCCC(=O)NCCO)NCCO","O=C(CCCCC(=O)NCCO)NCCO",{"$nulls":4},232.14230712,"?"]
[3051,"CNC(=O)OCc1ccc(Cl)c(Cl)c1","1966-58-1","CNC(=O)OCc1ccc(Cl)c(Cl)c1","CNC(=O)OCc1cc(c(cc1)Cl)Cl",{"$nulls":4},233.001033888,"?"]
[3052,"CC(OC(=O)Nc1cccc(Cl)c1)C#C","1967-16-4","C#CC(C)OC(=O)Nc1cccc(Cl)c1","C#CC(C)OC(=O)Nc1cc(ccc1)Cl",{"$nulls":4},223.04000624,"?"]
[3053,"NC(=O)Nc1ccc(Br)cc1","1967-25-5","NC(=O)Nc1ccc(Br)cc1","NC(=O)Nc1ccc(cc1)Br",{"$nulls":4},213.974174944,"?"]
[3054,"CC1(C)C2CCC1(C)C(=O)NC2=O","1972-03-8","CC12CCC(C(=O)NC1=O)C2(C)C","CC12C(NC(C(CC1)C2(C)C)=O)=O",{"$nulls":4},181.11027872,"?"]
[3055,"CCc1ccccc1Br","1973-22-4","CCc1ccccc1Br","CCc1c(cccc1)Br",{"$nulls":4},183.988762388,"?"]
[3056,"CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1","1982-47-4","CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1","CN(C)C(=O)Nc1ccc(cc1)Oc2ccc(cc2)Cl",{"$nulls":4},290.0822054000004,"?"]
[3057,"CC1CCCCC1NC(=O)Nc2ccccc2","1982-49-6","CC1CCCCC1NC(=O)Nc1ccccc1","CC1C(CCCC1)NC(=O)Nc2ccccc2",{"$nulls":4},232.15756326,"?"]
[3058,"[F]|[Sn](CCCC)(CCCC)CCCC","1983-10-4",{"$nulls":7},""]
[3059,"COc1cccc(Cl)c1Cl","1984-59-4","COc1cccc(Cl)c1Cl","COc1c(c(ccc1)Cl)Cl",{"$nulls":4},175.979570172,"?"]
[3060,"COc1c(Cl)cccc1Cl","1984-65-2","COc1c(Cl)cccc1Cl","COc1c(cccc1Cl)Cl",{"$nulls":4},175.979570172,"?"]
[3061,"NC(=O)NC(O)C(Cl)(Cl)Cl","2000-40-0","NC(=O)NC(O)C(Cl)(Cl)Cl","NC(=O)NC(O)C(Cl)(Cl)Cl",{"$nulls":4},205.94166044,"?"]
[3062,null,"2001-33-4",{"$nulls":7},""]
[3063,"Cc1ncnc2nc[nH]c12","2004-03-7","Cc1ncnc2nc[nH]c12","Cc1c2c(ncn1)nc[nH]2",{"$nulls":4},134.059246192,"?"]
[3064,"CCSC(=O)N(CC(C)C)CC(C)C","2008-41-5","CCSC(=O)N(CC(C)C)CC(C)C","CCSC(=O)N(CC(C)C)CC(C)C",{"$nulls":4},217.150035356,"?"]
[3065,"NC(=O)c1c(Cl)cccc1Cl","2008-58-4","NC(=O)c1c(Cl)cccc1Cl","NC(=O)c1c(cccc1Cl)Cl",{"$nulls":4},188.97481914,"?"]
[3066,"O=C1CNC(=S)N1c2ccccc2","2010-15-3","O=C1CNC(=S)N1c1ccccc1","O=C1N(C(NC1)=S)c2ccccc2",{"$nulls":4},192.035733876,"?"]
[3067,"CCCCCCCCCCN","2016-57-1","CCCCCCCCCCN","CCCCCCCCCCN",{"$nulls":4},157.183049736,"?"]
[3068,"CCOC(=O)CCc1ccccc1","2021-28-5","CCOC(=O)CCc1ccccc1","CCOC(=O)CCc1ccccc1",{"$nulls":4},178.099379688,"?"]
[3069,"NC1=C(F)C=NC(=O)N1","2022-85-7","Nc1[nH]c(=O)ncc1F","Nc1c(cnc([nH]1)=O)F",{"$nulls":4},129.033839968,"?"]
[3070,"CNC(=O)Oc1ccc(N(C)C)c(C)c1","2032-59-9","CNC(=O)Oc1ccc(N(C)C)c(C)c1","CNC(=O)Oc1cc(c(cc1)N(C)C)C",{"$nulls":4},208.121177752,"?"]
[3071,"CNC(=O)Oc1cc(C)c(SC)c(C)c1","2032-65-7","CNC(=O)Oc1cc(C)c(SC)c(C)c1","CNC(=O)Oc1cc(c(c(c1)C)SC)C",{"$nulls":4},225.08234972,"?"]
[3072,"CCCC1CCCC1","2040-96-2","CCCC1CCCC1","CCCC1CCCC1",{"$nulls":4},112.12520051199999,"?"]
[3073,"CC(O)C(N)=O","2043-43-8","CC(O)C(N)=O","CC(O)C(N)=O",{"$nulls":4},89.047678464,"?"]
[3074,"CNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O","2044-88-4","CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","CNc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},197.043655704,"?"]
[3075,"CCC(C)(C)c1ccccc1","2049-95-8","CCC(C)(C)c1ccccc1","CCC(C)(C)c1ccccc1",{"$nulls":4},148.125200512,"?"]
[3076,"CCOC(=O)CCCCCC(=O)OCC","2050-20-6","CCOC(=O)CCCCCC(=O)OCC","CCOC(=O)CCCCCC(=O)OCC",{"$nulls":4},216.13615912,"?"]
[3077,"CCOC(=O)CCCCCCC(=O)OCC","2050-23-9","CCOC(=O)CCCCCCC(=O)OCC","CCOC(=O)CCCCCCC(=O)OCC",{"$nulls":4},230.151809184,"?"]
[3078,"Clc1cccc(c1)c2cccc(Cl)c2","2050-67-1","Clc1cccc(-c2cccc(Cl)c2)c1","Clc1cc(ccc1)-c2cc(ccc2)Cl",{"$nulls":4},222.000305616,"?"]
[3079,"Clc1ccc(cc1)c2ccc(Cl)cc2","2050-68-2","Clc1ccc(-c2ccc(Cl)cc2)cc1","Clc1ccc(cc1)-c2ccc(cc2)Cl",{"$nulls":4},222.000305616,"?"]
[3080,"Clc1ccc2ccccc2c1Cl","2050-69-3","Clc1ccc2ccccc2c1Cl","Clc1c(c2c(cc1)cccc2)Cl",{"$nulls":4},195.984655552,"?"]
[3081,"Clc1cccc2cccc(Cl)c12","2050-74-0","Clc1cccc2cccc(Cl)c12","Clc1c2c(ccc1)cccc2Cl",{"$nulls":4},195.984655552,"?"]
[3082,"Clc1cc2ccccc2cc1Cl","2050-75-1","Clc1cc2ccccc2cc1Cl","Clc1c(cc2c(c1)cccc2)Cl",{"$nulls":4},195.984655552,"?"]
[3083,"Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","2051-24-3","Clc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},493.6885268,"?"]
[3084,"Clc1ccccc1c2ccccc2","2051-60-7","Clc1ccccc1-c1ccccc1","Clc1c(cccc1)-c2ccccc2",{"$nulls":4},188.039277968,"?"]
[3085,"Clc1cccc(c1)c2ccccc2","2051-61-8","Clc1cccc(-c2ccccc2)c1","Clc1cc(ccc1)-c2ccccc2",{"$nulls":4},188.039277968,"?"]
[3086,"Clc1ccc(cc1)c2ccccc2","2051-62-9","Clc1ccc(-c2ccccc2)cc1","Clc1ccc(cc1)-c2ccccc2",{"$nulls":4},188.039277968,"?"]
[3087,"OC1=CC(=O)C=CC1=NNc2ccccc2","2051-85-6","O=C1C=CC(=NNc2ccccc2)C(O)=C1","O=C1C=C(C(C=C1)=NNc2ccccc2)O",{"$nulls":4},214.07422756,"?"]
[3088,"Clc1ccc2cc(Cl)ccc2c1","2065-70-5","Clc1ccc2cc(Cl)ccc2c1","Clc1cc2c(cc1)cc(Cl)cc2",{"$nulls":4},195.984655552,"?"]
[3089,null,"2076-53-1",{"$nulls":7},""]
[3090,null,"2076-57-5",{"$nulls":7},""]
[3091,null,"2081-32-5",{"$nulls":7},""]
[3092,"OC(=O)Cc1cccc(c1)C(O)=O","2084-13-1","O=C(O)Cc1cccc(C(=O)O)c1","O=C(O)Cc1cc(ccc1)C(=O)O",{"$nulls":4},180.042258736,"?"]
[3093,null,"2085-15-6",{"$nulls":7},""]
[3094,"CC(C(O)=O)C(C)(C)C(O)=O","2103-16-4","CC(C(=O)O)C(C)(C)C(=O)O","CC(C(=O)O)C(C)(C)C(=O)O",{"$nulls":4},160.073558864,"?"]
[3095,null,"2103-31-3",{"$nulls":7},""]
[3096,"CCO[P](=S)(Oc1ccc(cc1)[N+]([O-])=O)c2ccccc2","2104-64-5","CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1","CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2",{"$nulls":4},323.0381155580004,"?"]
[3097,"CO[P](=S)(OC)Oc1cc(Cl)c(Br)cc1Cl","2104-96-3","COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Br)Cl",{"$nulls":4},363.8492192060002,"?"]
[3098,null,"2107-75-7",{"$nulls":7},""]
[3099,"C[CH](C[CH](C)C([O-])=O)C([O-])=O","2121-67-7","CC(CC(C)C(=O)[O-])C(=O)[O-]","CC(CC(C)C(=O)O)C(=O)O",{"$nulls":4},158.0579088,"Structure has been neutralized"]
[3100,"N[S](=O)(=O)c1cc2c(CN(C3CCCCC3)C2=O)cc1Cl","2127-01-7","NS(=O)(=O)c1cc2c(cc1Cl)CN(C1CCCCC1)C2=O","NS(=O)(=O)c1c(cc2c(c1)C(N(C2)C3CCCCC3)=O)Cl",{"$nulls":4},328.0648410840005,"?"]
[3101,"Cc1ccc(C)c2c(C)cccc12","2131-41-1","Cc1ccc(C)c2c(C)cccc12","Cc1c2c(c(cc1)C)c(C)ccc2",{"$nulls":4},170.109550448,"?"]
[3102,"Brc1cccc(c1)N=C=S","2131-59-1","S=C=Nc1cccc(Br)c1","S=C=Nc1cc(ccc1)Br",{"$nulls":4},212.924782228,"?"]
[3103,"C[CH]1C[CH]2[CH]3C[CH](F)C4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]2(C)[C]1(O)C(=O)CO","2135-17-3","CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",{"$nulls":4},410.1904804360007,"?"]
[3104,"Clc1cc(Cl)c(Cl)c(c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl","2136-99-4","Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[3105,"Oc1ccc(C2CCCCC2)c(O)c1","2138-20-7","Oc1ccc(C2CCCCC2)c(O)c1","Oc1cc(c(cc1)C2CCCCC2)O",{"$nulls":4},192.115029752,"?"]
[3106,"CCCCC(=O)O[C]1([CH](C)C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]12C)C(=O)CO","2152-44-5","CCCCC(=O)OC1(C(=O)CO)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C","CCCCC(=O)OC1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)C(=O)CO",{"$nulls":4},476.25741712400094,"?"]
[3107,"OCC1C(CO)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl","2157-19-9","OCC1C(CO)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl","OCC1C2(C(=C(C(C1CO)(C2(Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8655455760002,"?"]
[3108,"OC(=O)c1cc(Cl)cc(c1)C(O)=O","2157-39-3","O=C(O)c1cc(Cl)cc(C(=O)O)c1","O=C(O)c1cc(cc(c1)Cl)C(=O)O",{"$nulls":4},199.98763632,"?"]
[3109,"OC(=O)c1ccccc1C(=O)c2ccc(Br)cc2","2159-40-2","O=C(O)c1ccccc1C(=O)c1ccc(Br)cc1","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Br",{"$nulls":4},303.97350624800026,"?"]
[3110,"CCNC1=NC(=O)N=C(NC(C)C)N1","2163-68-0","CCNc1nc(=O)nc(NC(C)C)[nH]1","CCNc1[nH]c(nc(n1)=O)NC(C)C",{"$nulls":4},197.12766009999999,"?"]
[3111,"CN(C)C(=O)NC1CCCCCCC1","2163-69-1","CN(C)C(=O)NC1CCCCCCC1","CN(C)C(=O)NC1CCCCCCC1",{"$nulls":4},198.173213324,"?"]
[3112,"[Na+].C[As](O)([O-])=O","2163-80-6","C[As](=O)([O-])O","C[As](=O)(O)O","[Na+]",{"$nulls":3},161.927409768,"Structure has been neutralized"]
[3113,"O=C1NC2=C(CCC2)C(=O)N1C3CCCCC3","2164-08-1","O=c1[nH]c2c(c(=O)n1C1CCCCC1)CCC2","O=c1n(c(c2c([nH]1)CCC2)=O)C3CCCCC3",{"$nulls":4},234.136827816,"?"]
[3114,"CC(=C)C(=O)Nc1ccc(Cl)c(Cl)c1","2164-09-2","C=C(C)C(=O)Nc1ccc(Cl)c(Cl)c1","C=C(C)C(=O)Nc1cc(c(cc1)Cl)Cl",{"$nulls":4},229.006119268,"?"]
[3115,"CCC(C)OC(=O)Nc1cccc(Cl)c1","2164-13-8","CCC(C)OC(=O)Nc1cccc(Cl)c1","CCC(C)OC(=O)Nc1cc(ccc1)Cl","BCPC",{"$nulls":3},301.116973654,"?"]
[3116,"CN(C)C(=O)Nc1cccc(c1)C(F)(F)F","2164-17-2","CN(C)C(=O)Nc1cccc(C(F)(F)F)c1","CN(C)C(=O)Nc1cc(ccc1)C(F)(F)F",{"$nulls":4},232.082347632,"?"]
[3117,null,"2168-88-9",{"$nulls":7},""]
[3118,"CC(C)COc1ccc2ccccc2c1","2173-57-1","CC(C)COc1ccc2ccccc2c1","CC(C)COc1cc2c(cc1)cccc2",{"$nulls":4},200.120115132,"?"]
[3119,"CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C","2180-92-9","CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C","CCCCN1C(CCCC1)C(=O)Nc2c(cccc2C)C",{"$nulls":4},288.22016351600075,"?"]
[3120,"CC1(C)CC(=O)C(CC2C(=O)CC(C)(C)CC2=O)C(=O)C1","2181-22-8","CC1(C)CC(=O)C(CC2C(=O)CC(C)(C)CC2=O)C(=O)C1","CC1(CC(C(C(C1)=O)CC2C(CC(CC2=O)(C)C)=O)=O)C",{"$nulls":4},292.1674592480007,"?"]
[3121,"CCCCCCCCc1ccccc1","2189-60-8","CCCCCCCCc1ccccc1","CCCCCCCCc1ccccc1",{"$nulls":4},190.172150704,"?"]
[3122,"Clc1ccc2ccc(Cl)cc2c1","2198-77-8","Clc1ccc2ccc(Cl)cc2c1","Clc1cc2c(cc1)ccc(Cl)c2",{"$nulls":4},195.984655552,"?"]
[3123,"CCOC(=O)c1[nH]c(C)cc1C","2199-44-2","CCOC(=O)c1[nH]c(C)cc1C","CCOC(=O)c1c(cc([nH]1)C)C",{"$nulls":4},167.094628656,"?"]
[3124,"COc1ccc(cc1C(O)=O)C(O)=O","2206-43-1","COc1ccc(C(=O)O)cc1C(=O)O","COc1c(cc(cc1)C(=O)O)C(=O)O",{"$nulls":4},196.037173356,"?"]
[3125,"C[CH]1CCCC[CH]1C","2207-01-4","CC1CCCCC1C","CC1C(CCCC1)C",{"$nulls":4},112.12520051199999,"?"]
[3126,"CC1CCC(C)CC1","2207-04-7","CC1CCC(C)CC1","CC1CCC(CC1)C",{"$nulls":4},112.12520051199999,"?"]
[3127,"C[CH](Cl)[CH](C)Cl","2211-67-8","CC(Cl)C(C)Cl","CC(Cl)C(C)Cl",{"$nulls":4},126.00030561599999,"?"]
[3128,"CCSC(=O)N1CCCCCC1","2212-67-1","CCSC(=O)N1CCCCCC1","CCSC(=O)N1CCCCCC1",{"$nulls":4},187.103085164,"?"]
[3129,"OC(=O)c1cccc2cccc(c12)[N+]([O-])=O","2216-13-9","O=C(O)c1cccc2cccc([N+](=O)[O-])c12","O=C(O)c1c2c(ccc1)cccc2[N+](=O)[O-]",{"$nulls":4},217.037507704,"?"]
[3130,"CCCCC(C)CCC","2216-34-4","CCCCC(C)CCC","CCCCC(C)CCC",{"$nulls":4},128.15650064,"?"]
[3131,"CC(C)[CH]1CC[CH](C)C[CH]1O","2216-51-5","CC1CCC(C(C)C)C(O)C1","CC1CC(C(CC1)C(C)C)O",{"$nulls":4},156.15141526,"?"]
[3132,"COc1cccc2ccccc12","2216-69-5","COc1cccc2ccccc12","COc1c2c(ccc1)cccc2",{"$nulls":4},158.07316494,"?"]
[3133,"CC1(C)[CH]2CC[C](C)(C2)[CH]1O","2217-02-9","CC12CCC(C1)C(C)(C)C2O","CC12CC(CC1)C(C)(C)C2O",{"$nulls":4},154.135765196,"?"]
[3134,"CCCC1(CCC)C(=O)NC(=O)NC1=O","2217-08-5","CCCC1(CCC)C(=O)NC(=O)NC1=O","CCCC1(C(NC(NC1=O)=O)=O)CCC",{"$nulls":4},212.116092372,"?"]
[3135,"O=C(OCC1CCCO1)c2ccccc2","2217-32-5","O=C(OCC1CCCO1)c1ccccc1","O=C(OCC1OCCC1)c2ccccc2",{"$nulls":4},206.094294308,"?"]
[3136,"CCC(CC)([S](=O)(=O)CC)[S](=O)(=O)CC","2217-59-6","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC",{"$nulls":4},256.08030112,"?"]
[3137,"Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1","2227-13-6","Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1","Clc1ccc(cc1)Sc2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},321.89443191200013,"?"]
[3138,"ClC1=C(Cl)C(Cl)(C(=C1Cl)Cl)C2(Cl)C(=C(Cl)C(=C2Cl)Cl)Cl","2227-17-0","ClC1=C(Cl)C(Cl)(C2(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl)C(Cl)=C1Cl","ClC=1C(=C(C(C1Cl)(Cl)C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},469.6885268,"?"]
[3139,null,"2229-00-7",{"$nulls":7},""]
[3140,"Clc1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl","2234-13-1","Clc1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl","Clc1c(c2c(c(c1Cl)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl",{"$nulls":4},399.75082144,"?"]
[3141,"CCC(N)Cc1c[nH]c2ccccc12.CC(O)=O","2235-90-7","CCC(N)Cc1c[nH]c2ccccc12","CCC(N)Cc1c2c([nH]c1)cccc2","CC(O)=O",{"$nulls":3},248.15247788,"?"]
[3142,"Nc1cccc(c1)C#N","2237-30-1","N#Cc1cccc(N)c1","N#Cc1cc(ccc1)N",{"$nulls":4},118.053098192,"?"]
[3143,"CCCCCCCCC#N","2243-27-8","CCCCCCCCC#N","CCCCCCCCC#N",{"$nulls":4},139.136099544,"?"]
[3144,"Nc1cccc2c(N)cccc12","2243-62-1","Nc1cccc2c(N)cccc12","Nc1c2c(ccc1)c(N)ccc2",{"$nulls":4},158.08439832,"?"]
[3145,"[O-][N+](=O)c1ccc(c2c1cccc2[N+]([O-])=O)[N+]([O-])=O","2243-95-0","O=[N+]([O-])c1ccc([N+](=O)[O-])c2c([N+](=O)[O-])cccc12","O=[N+]([O-])c1c2c(c(cc1)[N+](=O)[O-])c([N+](=O)[O-])ccc2",{"$nulls":4},263.0178348800001,"?"]
[3146,"CC(=C)[CH]1CC=C(C)C(=O)C1","2244-16-8","C=C(C)C1CC=C(C)C(=O)C1","C=C(C)C1CC(C(=CC1)C)=O",{"$nulls":4},150.104465068,"?"]
[3147,"S=C=NCCc1ccccc1","2257-09-2","S=C=NCCc1ccccc1","S=C=NCCc1ccccc1",{"$nulls":4},163.045570288,"?"]
[3148,"[O-]C(=O)C(Cl)=C(Cl)Cl","2257-35-4","O=C([O-])C(Cl)=C(Cl)Cl","O=C(O)C(Cl)=C(Cl)Cl",{"$nulls":4},172.89638728,"Structure has been neutralized"]
[3149,"FC(F)(F)c1[nH]c2cncnc2n1","2268-12-4","FC(F)(F)c1nc2ncncc2[nH]1","FC(F)(F)c1[nH]c2c(n1)ncnc2",{"$nulls":4},188.030980756,"?"]
[3150,"OC(=O)CCCCc1ccccc1","2270-20-4","O=C(O)CCCCc1ccccc1","O=C(O)CCCCc1ccccc1",{"$nulls":4},178.099379688,"?"]
[3151,"Cn1cnc2nc(Cl)nc(Cl)c12","2273-93-0","Cn1cnc2nc(Cl)nc(Cl)c21","Cn1c2c(nc1)nc(Cl)nc2Cl",{"$nulls":4},201.98130148799999,"?"]
[3152,"CO[P](=O)(OC)OC(=CCl)c1ccc(Cl)cc1Cl","2274-67-1","COP(=O)(OC)OC(=CCl)c1ccc(Cl)cc1Cl","COP(=O)(OC)OC(=CCl)c1c(cc(cc1)Cl)Cl",{"$nulls":4},329.9382284700003,"?"]
[3153,"CCO[P](=S)(OCC)SCC(=O)NC(C)C","2275-18-5","CCOP(=S)(OCC)SCC(=O)NC(C)C","CCOP(=S)(OCC)SCC(=O)NC(C)C",{"$nulls":4},285.0622221300006,"?"]
[3154,"CNC(=O)CCSCCS[P](=O)(OC)OC","2275-23-2","CNC(=O)CCSCCSP(=O)(OC)OC","CNC(=O)CCSCCSP(=O)(OC)OC",{"$nulls":4},287.0414866860005,"?"]
[3155,null,"2276-96-2",{"$nulls":7},""]
[3156,"CC[Hg]C#N","2279-63-2","CC[Hg]C#N","CC[Hg]C#N",{"$nulls":4},257.01284216000005,"?"]
[3157,"OC(=O)c1c(O)ccc2ccccc12","2283-08-1","O=C(O)c1c(O)ccc2ccccc12","O=C(O)c1c2c(ccc1O)cccc2",{"$nulls":4},188.047344116,"?"]
[3158,"OC(=O)C1=Cc2ccccc2C(=O)O1","2289-03-4","O=C(O)c1cc2ccccc2c(=O)o1","O=C(O)c1oc(c2c(c1)cccc2)=O",{"$nulls":4},190.026608672,"?"]
[3159,"CC(C)N(C(C)C)C(=O)SCC(Cl)=CCl","2303-16-4","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C",{"$nulls":4},269.04079052400033,"?"]
[3160,"CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl","2303-17-5","CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C","CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C",{"$nulls":4},303.0018181720004,"?"]
[3161,"Cc1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1","2303-25-5","Cc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1","Cc1cc(ccc1)Oc2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},229.073893212,"?"]
[3162,"OC(=O)C1CCCCC1C(O)=O","2305-32-0","O=C(O)C1CCCCC1C(=O)O","O=C(O)C1C(CCCC1)C(=O)O",{"$nulls":4},172.073558864,"?"]
[3163,"CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1","2307-68-8","CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1","CCCC(C)C(=O)Nc1cc(c(cc1)C)Cl",{"$nulls":4},239.107691876,"?"]
[3164,"O=C1Nc2nc[nH]c2C=N1","2308-57-8","O=c1ncc2[nH]cnc2[nH]1","O=c1[nH]c2c(cn1)[nH]cn2",{"$nulls":4},136.038510748,"?"]
[3165,"CN1C(=O)N(C)C2=C(N(C)C(=O)N2C)C1=O","2309-49-1","Cn1c(=O)c2c(n(C)c1=O)n(C)c(=O)n2C","Cn1c(n(c2c(c1=O)n(c(n2C)=O)C)C)=O",{"$nulls":4},224.090940244,"?"]
[3166,"CCO[P](=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12","2310-17-0","CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2",{"$nulls":4},366.9868642700004,"?"]
[3167,"CC(C)(C)c1ccc(OC2CCCCC2O[S](=O)OCC#C)cc1","2312-35-8","C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1","C#CCOS(=O)OC1C(CCCC1)Oc2ccc(cc2)C(C)(C)C",{"$nulls":4},350.1551803120007,"?"]
[3168,"CCCCOC(=O)C1(O)c2ccccc2c3ccccc13","2314-09-2","CCCCOC(=O)C1(O)c2ccccc2-c2ccccc21","CCCCOC(=O)C1(c2c(-c3c1cccc3)cccc2)O",{"$nulls":4},282.1255944360005,"?"]
[3169,"CCN(CC)C(=O)CCl","2315-36-8","CCN(CC)C(=O)CCl","CCN(CC)C(=O)CCl",{"$nulls":4},149.060741684,"?"]
[3170,"CCCOC(=O)c1ccccc1","2315-68-6","CCCOC(=O)c1ccccc1","CCCOC(=O)c1ccccc1",{"$nulls":4},164.083729624,"?"]
[3171,"OCc1cc(Br)ccc1O","2316-64-5","OCc1cc(Br)ccc1O","OCc1c(ccc(c1)Br)O",{"$nulls":4},201.962941564,"?"]
[3172,"CC(C)C(CC(O)=O)C(O)=O","2338-45-6","CC(C)C(CC(=O)O)C(=O)O","CC(C)C(CC(=O)O)C(=O)O",{"$nulls":4},160.073558864,"?"]
[3173,"[H+].[Cl-].CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC","2350-32-5","CCCCOc1ccc(C(=O)OCCN(CC)CC)cc1","CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC","[Cl-]","[H+]",null,null,329.1757714360008,"?"]
[3174,"NNC(=O)c1sccc1","2361-27-5","NNC(=O)c1cccs1","NNC(=O)c1sccc1",{"$nulls":4},142.020083812,"?"]
[3175,"CCOC(=O)[CH](Cc1ccccc1)NC(C)=O","2361-96-8","CCOC(=O)C(Cc1ccccc1)NC(C)=O","CCOC(=O)C(Cc1ccccc1)NC(C)=O",{"$nulls":4},235.120843404,"?"]
[3176,"CC12CCC3C(CCC4CC5SC5CC34C)C1CCC2O","2363-58-8","CC12CCC3C(CCC4CC5SC5CC43C)C1CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC5C(S5)C4)C)CCC2O",{"$nulls":4},306.20173658000084,"?"]
[3177,"Fc1cc(F)c(F)c(F)c1","2367-82-0","Fc1cc(F)c(F)c(F)c1","Fc1cc(c(c(c1)F)F)F",{"$nulls":4},150.009262944,"?"]
[3178,"CCCC(C)(C)CO","2370-12-9","CCCC(C)(C)CO","CCCC(C)(C)CO",{"$nulls":4},116.120115132,"?"]
[3179,"CC1=CC(=O)Oc2ccc(O)cc12","2373-31-1","Cc1cc(=O)oc2ccc(O)cc12","Cc1c2c(oc(c1)=O)ccc(O)c2",{"$nulls":4},176.047344116,"?"]
[3180,"OC(=O)C=Cc1ccc2OCOc2c1","2373-80-0","O=C(O)C=Cc1ccc2c(c1)OCO2","O=C(O)C=Cc1cc2c(cc1)OCO2",{"$nulls":4},192.042258736,"?"]
[3181,"CCC1(CC=C)C(=O)NC(=O)NC1=O","2373-84-4","C=CCC1(CC)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CC",{"$nulls":4},196.084792244,"?"]
[3182,"Cc1ccc2cc3ccc4ccccc4c3cc2c1","2381-15-9","Cc1ccc2cc3ccc4ccccc4c3cc2c1","Cc1cc2c(cc1)cc3c(c4c(cc3)cccc4)c2",{"$nulls":4},242.109550448,"?"]
[3183,"Cc1ccc2cc3c(ccc4ccccc34)cc2c1","2381-16-0","Cc1ccc2cc3c(ccc4ccccc43)cc2c1","Cc1cc2c(cc1)cc3c4c(ccc3c2)cccc4",{"$nulls":4},242.109550448,"?"]
[3184,"Cc1c2ccccc2c3ccc4cccc5ccc1c3c45","2381-39-7","Cc1c2ccccc2c2ccc3cccc4ccc1c2c43","Cc1c2ccc3cccc4ccc(c5c1cccc5)c2c43",{"$nulls":4},266.1095504480003,"?"]
[3185,"CCOC(=O)[CH](Cc1c[nH]c2ccccc12)N(C)C=O","2382-80-1","CCOC(=O)C(Cc1c[nH]c2ccccc12)N(C)C=O","CCOC(=O)C(Cc1c2c([nH]c1)cccc2)N(C)C=O",{"$nulls":4},274.1317424360005,"?"]
[3186,"S=C1Nc2ccccc2O1","2382-96-9","S=c1[nH]c2ccccc2o1","S=c1oc2c([nH]1)cccc2",{"$nulls":4},151.00918478,"?"]
[3187,"CC(C)(C(O)=O)C(C)(CC(O)=O)C(O)=O","2385-74-2","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O",{"$nulls":4},218.079038168,"?"]
[3188,"ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","2385-85-5","ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl","ClC1(C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},539.62623216,"?"]
[3189,"Clc1cccc(c1)N=C=S","2392-68-9","S=C=Nc1cccc(Cl)c1","S=C=Nc1cc(ccc1)Cl",{"$nulls":4},168.975297808,"?"]
[3190,"C#CCCCC#C","2396-63-6","C#CCCCC#C","C#CCCCC#C",{"$nulls":4},92.062600256,"?"]
[3191,"C#CCCCCCC#C","2396-65-8","C#CCCCCCC#C","C#CCCCCCC#C",{"$nulls":4},120.093900384,"?"]
[3192,"OC(=O)C1=C[NH++]([O-])[CH-]C=C1","2398-81-4","O=C(O)C1=C[NH+2]([O-])[CH-]C=C1","O=C(O)C1=C[NH+2]([O-])[CH-]C=C1",{"$nulls":4},140.034768052,"Errors in neutralization"]
[3193,null,"2404-58-2",{"$nulls":7},""]
[3194,"CCCCO[P](C)(=O)OCCCC","2404-73-1","CCCCOP(C)(=O)OCCCC","CCCCOP(C)(=O)OCCCC",{"$nulls":4},208.12283116199998,"?"]
[3195,"Cc1ccc(C)c(O)c1C","2416-94-6","Cc1ccc(C)c(O)c1C","Cc1c(c(c(cc1)C)O)C",{"$nulls":4},136.088815004,"?"]
[3196,"Oc1ccccc1Oc2ccccc2","2417-10-9","Oc1ccccc1Oc1ccccc1","Oc1c(cccc1)Oc2ccccc2",{"$nulls":4},186.06807956,"?"]
[3197,"CCC(O)CN(CC(O)CC)CC(O)CC","2421-02-5","CCC(O)CN(CC(O)CC)CC(O)CC","CCC(O)CN(CC(O)CC)CC(O)CC",{"$nulls":4},233.199093724,"?"]
[3198,"Cc1c2ccccc2cc3ccc4ccccc4c13","2422-79-9","Cc1c2ccccc2cc2ccc3ccccc3c12","Cc1c2c(cc3c1cccc3)ccc4c2cccc4",{"$nulls":4},242.109550448,"?"]
[3199,"ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O","2425-06-1","O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)C(Cl)Cl",{"$nulls":4},346.91081024800025,"?"]
[3200,"CNC(=O)Oc1ccc(C)c(C)c1","2425-10-7","CNC(=O)Oc1ccc(C)c(C)c1","CNC(=O)Oc1cc(c(cc1)C)C",{"$nulls":4},179.094628656,"?"]
[3201,"CCCCOCC1CO1","2426-08-6","CCCCOCC1CO1","CCCCOCC1OC1",{"$nulls":4},130.099379688,"?"]
[3202,"CC(C)CCCCCCO","2430-22-0","CC(C)CCCCCCO","CC(C)CCCCCCO",{"$nulls":4},144.15141526,"?"]
[3203,"Cc1cc(Cl)c(O)c(Cl)c1","2432-12-4","Cc1cc(Cl)c(O)c(Cl)c1","Cc1cc(c(c(c1)Cl)O)Cl",{"$nulls":4},175.979570172,"?"]
[3204,null,"2432-20-4",{"$nulls":7},""]
[3205,null,"2432-21-5",{"$nulls":7},""]
[3206,"NCCCCCCCCCCC(O)=O","2432-99-7","NCCCCCCCCCCC(=O)O","NCCCCCCCCCCC(=O)O",{"$nulls":4},201.172878976,"?"]
[3207,"Clc1ccc(c(Cl)c1)c2ccc(Cl)cc2Cl","2437-79-8","Clc1ccc(-c2ccc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[3208,"Cc1ccc2nc3SC(=O)Sc3nc2c1","2439-01-2","Cc1ccc2nc3sc(=O)sc3nc2c1","Cc1cc2c(cc1)nc3c(sc(s3)=O)n2",{"$nulls":4},233.992154812,"?"]
[3209,"CCCCCCCCCCCCN=C(N)N.CC(O)=O","2439-10-3","CCCCCCCCCCCCN=C(N)N","CCCCCCCCCCCCN=C(N)N","CC(O)=O",{"$nulls":3},287.257277296,"?"]
[3210,"COc1ccccc1C(N)=O","2439-77-2","COc1ccccc1C(N)=O","COc1c(cccc1)C(N)=O",{"$nulls":4},151.063328528,"?"]
[3211,"OC(=O)CN(C[P](O)(O)=O)C[P](O)(O)=O","2439-99-8","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O",{"$nulls":4},262.99598957200016,"?"]
[3212,null,"2440-20-2",{"$nulls":7},""]
[3213,"Clc1ccc(Oc2ccc(Cl)cc2)cc1","2444-89-5","Clc1ccc(Oc2ccc(Cl)cc2)cc1","Clc1ccc(cc1)Oc2ccc(cc2)Cl",{"$nulls":4},237.995220236,"?"]
[3214,"O.CC(C)(O)C1CCC(C)(O)CC1","2451-01-6","CC1(O)CCC(C(C)(C)O)CC1","CC1(CCC(CC1)C(C)(C)O)O","O",{"$nulls":3},190.156894564,"?"]
[3215,"CO[P](=S)(OC)Oc1ccc(cc1Cl)[N+]([O-])=O","2463-84-5","COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1Cl","COP(=S)(OC)Oc1c(cc(cc1)[N+](=O)[O-])Cl",{"$nulls":4},296.9627576980002,"?"]
[3216,"OC(=O)C1(O)c2ccccc2c3ccc(Cl)cc13","2464-37-1","O=C(O)C1(O)c2ccccc2-c2ccc(Cl)cc21","O=C(O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O",{"$nulls":4},260.02402182800006,"?"]
[3217,"Nc1ccc(N)c2C(=O)c3c(N)ccc(N)c3C(=O)c12","2475-45-8","Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C2=O","Nc1c2c(c(cc1)N)C(c3c(C2=O)c(N)ccc3N)=O",{"$nulls":4},268.09602562400033,"?"]
[3218,"O[S](=O)(=O)c1ccc(cc1)N=Nc2ccccc2","2484-88-0","O=S(=O)(O)c1ccc(N=Nc2ccccc2)cc1","O=S(=O)(O)c1ccc(cc1)N=Nc2ccccc2",{"$nulls":4},262.04121318000017,"?"]
[3219,"CC(=O)Oc1c(cc(c(C)c1C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O","2487-01-6","CC(=O)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c1C(C)(C)C","CC(=O)Oc1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])C)C(C)(C)C",{"$nulls":4},296.1008362320004,"?"]
[3220,"OC(=O)CNC=O","2491-15-8","O=CNCC(=O)O","O=CNCC(=O)O",{"$nulls":4},103.02694302,"?"]
[3221,"Oc1ccc(cc1)C(=O)Cc2ccccc2","2491-32-9","O=C(Cc1ccccc1)c1ccc(O)cc1","O=C(Cc1ccccc1)c2ccc(cc2)O",{"$nulls":4},212.083729624,"?"]
[3222,"CCO[P](=S)(OCC)SCC[S](=O)(=O)CC","2497-06-5","CCOP(=S)(OCC)SCCS(=O)(=O)CC","CCOP(=S)(OCC)SCCS(=O)(=O)CC",{"$nulls":4},306.0183087180005,"?"]
[3223,"CCO[P](=S)(OCC)SCC[S](=O)CC","2497-07-6","CCOP(=S)(OCC)SCCS(=O)CC","CCOP(=S)(OCC)SCCS(=O)CC",{"$nulls":4},290.0233940980005,"?"]
[3224,"Cc1c2ccccc2cc3c1cc(F)c4ccccc34","2498-63-7","Cc1c2ccccc2cc2c1cc(F)c1ccccc12","Cc1c2c(cc3c1cccc3)c4c(c(c2)F)cccc4",{"$nulls":4},260.10012863600014,"?"]
[3225,"Cc1cccc2ccc3cc4ccccc4cc3c12","2498-77-3","Cc1cccc2ccc3cc4ccccc4cc3c12","Cc1c2c(ccc1)ccc3c2cc4c(c3)cccc4",{"$nulls":4},242.109550448,"?"]
[3226,"OC(=O)c1cc(Cl)ccc1[N+]([O-])=O","2516-95-2","O=C(O)c1cc(Cl)ccc1[N+](=O)[O-]","O=C(O)c1c(ccc(c1)Cl)[N+](=O)[O-]",{"$nulls":4},200.982885288,"?"]
[3227,"OC(=O)c1cc(ccc1Cl)[N+]([O-])=O","2516-96-3","O=C(O)c1cc([N+](=O)[O-])ccc1Cl","O=C(O)c1c(ccc(c1)[N+](=O)[O-])Cl",{"$nulls":4},200.982885288,"?"]
[3228,"Cc1no[n+]([O-])c1C","2518-42-5","Cc1no[n+]([O-])c1C","Cc1c([n+](on1)[O-])C",{"$nulls":4},114.042927432,"?"]
[3229,"CCCCO[P](=O)(OCCCC)Oc1ccccc1","2528-36-1","CCCCOP(=O)(OCCCC)Oc1ccccc1","CCCCOP(=O)(OCCCC)Oc1ccccc1",{"$nulls":4},286.13339584600067,"?"]
[3230,"Cc1ccc2c(ccc3ccccc23)c1","2531-84-2","Cc1ccc2c(ccc3ccccc32)c1","Cc1cc2c(cc1)c3c(cc2)cccc3",{"$nulls":4},192.093900384,"?"]
[3231,"COC(=O)C1(O)c2ccccc2c3ccc(Cl)cc13","2536-31-4","COC(=O)C1(O)c2ccccc2-c2ccc(Cl)cc21","COC(=O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O",{"$nulls":4},274.03967189200034,"?"]
[3232,"COc1c(O)c(Cl)c(Cl)c(Cl)c1Cl","2539-17-5","COc1c(O)c(Cl)c(Cl)c(Cl)c1Cl","COc1c(c(c(c(c1O)Cl)Cl)Cl)Cl",{"$nulls":4},259.8965400880001,"?"]
[3233,"CO[P](=S)(OC)SCC(=O)N(C)C=O","2540-82-1","COP(=S)(OC)SCC(=O)N(C)C=O","COP(=S)(OC)SCC(=O)N(C)C=O",{"$nulls":4},256.99453649400004,"?"]
[3234,"Cc1c2ccccc2cc3c4ccccc4cc(F)c13","2541-68-6","Cc1c2ccccc2cc2c1c(F)cc1ccccc12","Cc1c2c(cc3c1cccc3)c4c(cc2F)cccc4",{"$nulls":4},260.10012863600014,"?"]
[3235,"Cc1c2ccccc2cc3c4ccccc4ccc13","2541-69-7","Cc1c2ccccc2cc2c1ccc1ccccc12","Cc1c2c(cc3c1cccc3)c4c(cc2)cccc4",{"$nulls":4},242.109550448,"?"]
[3236,"OC(=O)CCCCCCCC=O","2553-17-5","O=CCCCCCCCC(=O)O","O=CCCCCCCCC(=O)O",{"$nulls":4},172.109944372,"?"]
[3237,"ClC(Cl)C(=O)Nc1ccccc1","2563-99-7","O=C(Nc1ccccc1)C(Cl)Cl","O=C(Nc1ccccc1)C(Cl)Cl",{"$nulls":4},202.990469204,"?"]
[3238,"CCC1OCCO1","2568-96-9","CCC1OCCO1","CCC1OCCO1",{"$nulls":4},102.06807956,"?"]
[3239,"CC(=C)[CH]1[CH]2OC(=O)[CH]1[C]3(O)[CH]4O[CH]4[C]5(CO5)[C]3(C)[CH]2O","2571-22-4","C=C(C)C1C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2O","C=C(C)C1C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O",{"$nulls":4},294.1103382960005,"?"]
[3240,"NC(NO)=C(N)N=O","2580-79-2","NC(N=O)=C(N)NO","NC(N=O)=C(N)NO",{"$nulls":4},118.049075432,"?"]
[3241,"Cc1cc(O)ccc1[N+]([O-])=O","2581-34-2","Cc1cc(O)ccc1[N+](=O)[O-]","Cc1c(ccc(c1)O)[N+](=O)[O-]",{"$nulls":4},153.042593084,"?"]
[3242,"[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(Nc3ccccc3)cc2","2581-69-3","O=[N+]([O-])c1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)Nc3ccccc3","C.I",{"$nulls":3},462.0552738480004,"?"]
[3243,"NC(N)=Nc1sc2ccccc2n1","2582-07-2","NC(N)=Nc1nc2ccccc2s1","NC(N)=Nc1sc2c(n1)cccc2",{"$nulls":4},192.046967256,"?"]
[3244,null,"2583-24-6",{"$nulls":7},""]
[3245,"CCO[P](=S)(OCC)SC[S](=O)CC","2588-03-6","CCOP(=S)(OCC)SCS(=O)CC","CCOP(=S)(OCC)SCS(=O)CC",{"$nulls":4},276.00774403400044,"?"]
[3246,"CCO[P](=S)(OCC)SC[S](=O)(=O)CC","2588-04-7","CCOP(=S)(OCC)SCS(=O)(=O)CC","CCOP(=S)(OCC)SCS(=O)(=O)CC",{"$nulls":4},292.00265865400047,"?"]
[3247,"CCO[P](=O)(OCC)SC[S](=O)CC","2588-05-8","CCOP(=O)(OCC)SCS(=O)CC","CCOP(=O)(OCC)SCS(=O)CC",{"$nulls":4},260.0305876540001,"?"]
[3248,"CCOc1snc(n1)C(Cl)(Cl)Cl","2593-15-9","CCOc1nc(C(Cl)(Cl)Cl)ns1","CCOc1snc(n1)C(Cl)(Cl)Cl",{"$nulls":4},245.91881682,"?"]
[3249,"CCOC(=O)N(C)C(=O)CS[P](=S)(OCC)OCC","2595-54-2","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC",{"$nulls":4},329.0520513700005,"?"]
[3250,"CCOC(=O)C(S[P](=S)(OC)OC)c1ccccc1","2597-03-7","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1",{"$nulls":4},320.03058765400044,"?"]
[3251,"C[Hg]C#N","2597-97-9","C[Hg]C#N","C[Hg]C#N",{"$nulls":4},242.997192096,"?"]
[3252,"CCNC1=NC(=O)N=C(NCC)N1","2599-11-3","CCNc1nc(=O)nc(NCC)[nH]1","CCNc1[nH]c(nc(n1)=O)NCC",{"$nulls":4},183.112010036,"?"]
[3253,"Cc1nc(C)c(cc1C(O)=O)C(O)=O","2602-36-0","Cc1nc(C)c(C(=O)O)cc1C(=O)O","Cc1c(cc(c(n1)C)C(=O)O)C(=O)O",{"$nulls":4},195.053157768,"?"]
[3254,"[Na+].[Na+].[Na+].[O-][S](=O)(=O)c1cc2C=CC(=O)C(=NNc3ccc(c4ccccc34)[S]([O-])(=O)=O)c2c(c1)[S]([O-])(=O)=O","2611-82-7","O=C1C=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2C1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12","O=C1C(c2c(C=C1)cc(S(=O)(=O)O)cc2S(=O)(=O)O)=NNc3c4c(c(cc3)S(=O)(=O)O)cccc4","[Na+]","[Na+]","[Na+]",null,603.9268903920001,"Structure has been neutralized"]
[3255,null,"2620-71-5",{"$nulls":7},""]
[3256,"OC1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C#N)CC1","2622-26-6","N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2","N#Cc1cc2c(cc1)Sc3c(N2CCCN4CCC(CC4)O)cccc3",{"$nulls":4},365.15618335600067,"?"]
[3257,"CC(=O)Nc1ccc(OC(C)=O)cc1","2623-33-8","CC(=O)Nc1ccc(OC(C)=O)cc1","CC(=O)Nc1ccc(cc1)OC(C)=O",{"$nulls":4},193.073893212,"?"]
[3258,null,"2625-22-1",{"$nulls":7},""]
[3259,"CN1C(=O)N(C)c2nc(C)c(C)nc2C1=O","2625-25-4","Cc1nc2c(=O)n(C)c(=O)n(C)c2nc1C","Cc1c(nc2c(n1)c(=O)n(C)c(=O)n2C)C",{"$nulls":4},220.096025624,"?"]
[3260,"CNC(=O)Oc1cc(C)cc(c1)C(C)C","2631-37-0","CNC(=O)Oc1cc(C)cc(C(C)C)c1","CNC(=O)Oc1cc(cc(c1)C)C(C)C",{"$nulls":4},207.125928784,"?"]
[3261,"CNC(=O)Oc1ccccc1C(C)C","2631-40-5","CNC(=O)Oc1ccccc1C(C)C","CNC(=O)Oc1c(cccc1)C(C)C",{"$nulls":4},193.11027872,"?"]
[3262,"Oc1c(I)cc(I)cc1C=O","2631-77-8","O=Cc1cc(I)cc(I)c1O","O=Cc1c(c(cc(c1)I)I)O",{"$nulls":4},373.8300753680001,"?"]
[3263,"CCc1nc(N)c(C)c(CC)n1","2635-56-5","CCc1nc(N)c(C)c(CC)n1","CCc1nc(c(c(n1)N)C)CC",{"$nulls":4},165.12659748,"?"]
[3264,"CCCC(=O)Oc1ccc(cc1)[N+]([O-])=O","2635-84-9","CCCC(=O)Oc1ccc([N+](=O)[O-])cc1","CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},209.068807832,"?"]
[3265,"CO[P](=S)(OC)Oc1ccc(cc1)C#N","2636-26-2","COP(=S)(OC)Oc1ccc(C#N)cc1","COP(=S)(OC)Oc1ccc(cc1)C#N",{"$nulls":4},243.01190081,"?"]
[3266,"Oc1ccc2ccccc2c1N=O","2636-79-5","O=Nc1c(O)ccc2ccccc12","O=Nc1c2c(ccc1O)cccc2",{"$nulls":4},173.047678464,"?"]
[3267,"C[C](CCC([O-])=O)(N=N[C](C)(CCC([O-])=O)C#N)C#N","2638-94-0","CC(C#N)(CCC(=O)[O-])N=NC(C)(C#N)CCC(=O)[O-]","CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O",{"$nulls":4},278.1015049280004,"Structure has been neutralized"]
[3268,"CCO[P](=S)(OCC)SCN1N=Nc2ccccc2C1=O","2642-71-9","CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O","CCOP(=S)(OCC)SCn1c(c2c(nn1)cccc2)=O",{"$nulls":4},345.0370700020004,"?"]
[3269,"Nc1cc2c3ccccc3ccc2c4ccccc14","2642-98-0","Nc1cc2c3ccccc3ccc2c2ccccc12","Nc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2",{"$nulls":4},243.104799416,"?"]
[3270,"CNC(=O)Oc1cc(C)cc(C)c1","2655-14-3","CNC(=O)Oc1cc(C)cc(C)c1","CNC(=O)Oc1cc(cc(c1)C)C",{"$nulls":4},179.094628656,"?"]
[3271,"CNC(=O)Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C","2655-19-8","CNC(=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1","CNC(=O)Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C",{"$nulls":4},263.1885290400002,"?"]
[3272,"COc1cc(Cl)c(OC)cc1Cl","2675-77-6","COc1cc(Cl)c(OC)cc1Cl","COc1c(cc(c(c1)Cl)OC)Cl",{"$nulls":4},205.990134856,"?"]
[3273,"CNCCC(O)=O","2679-14-3","CNCCC(=O)O","CNCCC(=O)O",{"$nulls":4},103.063328528,"?"]
[3274,"CCCCCCCCCCCCN1CCCC1=O","2687-96-9","CCCCCCCCCCCCN1CCCC1=O","CCCCCCCCCCCCN1C(CCC1)=O",{"$nulls":4},253.240564612,"?"]
[3275,"Clc1ccccc1Oc2ccccc2","2689-07-8","Clc1ccccc1Oc1ccccc1","Clc1c(cccc1)Oc2ccccc2",{"$nulls":4},204.034192588,"?"]
[3276,"CC[S](=O)CCS[P](=S)(OC)OC","2703-37-9","CCS(=O)CCSP(=S)(OC)OC","CCS(=O)CCSP(=S)(OC)OC",{"$nulls":4},261.99209397000016,"?"]
[3277,"CC(=O)Nc1ccc(cc1)C(C)=O","2719-21-3","CC(=O)Nc1ccc(C(C)=O)cc1","CC(=O)Nc1ccc(cc1)C(C)=O",{"$nulls":4},177.078978592,"?"]
[3278,"[O-][N+](=O)c1ccc2OC(=O)C=Cc2c1","2725-81-7","O=c1ccc2cc([N+](=O)[O-])ccc2o1","O=c1oc2c(cc1)cc([N+](=O)[O-])cc2",{"$nulls":4},191.02185764,"?"]
[3279,"CCCCO[P](=O)(OCC)OCC","2737-00-0","CCCCOP(=O)(OCC)OCC","CCCCOP(=O)(OCC)OCC",{"$nulls":4},210.102095718,"?"]
[3280,"CCOC(=O)[CH](N)CC(C)C","2743-60-4","CCOC(=O)C(N)CC(C)C","CCOC(=O)C(N)CC(C)C",{"$nulls":4},159.125928784,"?"]
[3281,"OC(=O)C(CSSCC(NC(=O)Cc1ccccc1)C(O)=O)NC(=O)Cc2ccccc2","2752-39-8","O=C(Cc1ccccc1)NC(CSSCC(NC(=O)Cc1ccccc1)C(=O)O)C(=O)O","O=C(Cc1ccccc1)NC(CSSCC(NC(=O)Cc2ccccc2)C(=O)O)C(=O)O",{"$nulls":4},476.1075784880006,"?"]
[3282,null,"2754-57-6",{"$nulls":7},""]
[3283,"C1C[n+]2ccccc2c3cccc[n+]13","2764-72-9","c1cc[n+]2c(c1)-c1cccc[n+]1CC2","c1cc-2[n+](cc1)CC[n+]3c2cccc3",{"$nulls":4},184.100048384,"?"]
[3284,"COc1cc(Cl)c(Cl)cc1OC","2772-46-5","COc1cc(Cl)c(Cl)cc1OC","COc1c(cc(c(c1)Cl)Cl)OC",{"$nulls":4},205.990134856,"?"]
[3285,"COC1=COC(=CC1=O)CS[P](=O)(OC)OC","2778-04-3","COc1coc(CSP(=O)(OC)OC)cc1=O","COc1c(cc(oc1)CSP(=O)(OC)OC)=O",{"$nulls":4},280.01704576600036,"?"]
[3286,null,"2784-22-7",{"$nulls":7},""]
[3287,"CC(O)([P](O)(O)=O)[P](O)(O)=O","2809-21-4","CC(O)(P(=O)(O)O)P(=O)(O)O","CC(O)(P(=O)(O)O)P(=O)(O)O",{"$nulls":4},205.974525856,"?"]
[3288,"CCC(C)c1cc(cc(c1OC(C)=O)[N+]([O-])=O)[N+]([O-])=O","2813-95-8","CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(C)=O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(C)=O",{"$nulls":4},282.0851861680004,"?"]
[3289,"C[CH]1C[NH2+][CH](C)C[NH2+]1","2815-34-1","CC1C[NH2+]C(C)C[NH2+]1","CC1NCC(NC1)C",{"$nulls":4},116.13134851199999,"Structure has been neutralized"]
[3290,null,"2833-21-8",{"$nulls":7},""]
[3291,"OC(=O)CCCCCCCCCCBr","2834-05-1","O=C(O)CCCCCCCCCCBr","O=C(O)CCCCCCCCCCBr",{"$nulls":4},264.0724920120002,"?"]
[3292,"NC(C(O)=O)c1ccccc1","2835-06-5","NC(C(=O)O)c1ccccc1","NC(C(=O)O)c1ccccc1",{"$nulls":4},151.063328528,"?"]
[3293,"CCC(N)C(O)=O","2835-81-6","CCC(N)C(=O)O","CCC(N)C(=O)O",{"$nulls":4},103.063328528,"?"]
[3294,"FC(Cl)C(F)(F)F","2837-89-0","FC(Cl)C(F)(F)F","FC(Cl)C(F)(F)F",{"$nulls":4},135.970290592,"?"]
[3295,"COc1cccc(Cl)c1","2845-89-8","COc1cccc(Cl)c1","COc1cc(ccc1)Cl",{"$nulls":4},142.018542524,"?"]
[3296,"[Na].Nc1cc(c(O)c2C(=O)c3c(N)cc(c(O)c3C(=O)c12)[S](O)(=O)=O)[S](O)(=O)=O","2861-02-1","Nc1cc(S(=O)(=O)O)c(O)c2c1C(=O)c1c(O)c(S(=O)(=O)O)cc(N)c1C2=O","Nc1c2c(c(c(c1)S(=O)(=O)O)O)C(c3c(C2=O)c(O)c(S(=O)(=O)O)cc3N)=O","[Na]",{"$nulls":3},452.9674558000001,"?"]
[3297,"CC1(C)OCCO1","2916-31-6","CC1(C)OCCO1","CC1(OCCO1)C",{"$nulls":4},102.06807956,"?"]
[3298,"CCO[P](=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl","2921-88-2","CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl","CCOP(=S)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl",{"$nulls":4},348.9262838820003,"?"]
[3299,"O=C1CCCC1C#N","2941-29-9","N#CC1CCCC1=O","N#CC1C(CCC1)=O",{"$nulls":4},109.052763844,"?"]
[3300,"CCSC(=O)N(CC)CC","2941-55-1","CCSC(=O)N(CC)CC","CCSC(=O)N(CC)CC",{"$nulls":4},161.0874351,"?"]
[3301,"C=CCO[P](=O)(OCC=C)c1ccccc1","2948-89-2","C=CCOP(=O)(OCC=C)c1ccccc1","C=CCOP(=O)(OCC=C)c1ccccc1",{"$nulls":4},238.07588097,"?"]
[3302,null,"2950-47-2",{"$nulls":7},""]
[3303,"CC1=C(Cl)C(=O)C(=C(C)N1)Cl","2971-90-6","Cc1[nH]c(C)c(Cl)c(=O)c1Cl","Cc1c(c(c(c([nH]1)C)Cl)=O)Cl",{"$nulls":4},190.990469204,"?"]
[3304,"Oc1ccc(C=O)cc1Br","2973-78-6","O=Cc1ccc(O)c(Br)c1","O=Cc1cc(c(cc1)O)Br",{"$nulls":4},199.9472915,"?"]
[3305,"Clc1ccc(cc1)c2cccc(Cl)c2","2974-90-5","Clc1ccc(-c2cccc(Cl)c2)cc1","Clc1ccc(cc1)-c2cc(ccc2)Cl",{"$nulls":4},222.000305616,"?"]
[3306,"Clc1ccc(cc1Cl)c2ccccc2","2974-92-7","Clc1ccc(-c2ccccc2)cc1Cl","Clc1c(cc(cc1)-c2ccccc2)Cl",{"$nulls":4},222.000305616,"?"]
[3307,"OC(=O)COc1cccc(Cl)c1Cl","2976-74-1","O=C(O)COc1cccc(Cl)c1Cl","O=C(O)COc1c(c(ccc1)Cl)Cl",{"$nulls":4},219.96939941199997,"?"]
[3308,"CCOC(=O)C(C)OC(C)=O","2985-28-6","CCOC(=O)C(C)OC(C)=O","CCOC(=O)C(C)OC(C)=O",{"$nulls":4},160.073558864,"?"]
[3309,"Nc1ccc(SC#N)cc1","2987-46-4","N#CSc1ccc(N)cc1","N#CSc1ccc(cc1)N",{"$nulls":4},150.025169192,"?"]
[3310,"Nc1nc2nc[nH]c2c(n1)C(F)(F)F","2993-20-6","Nc1nc(C(F)(F)F)c2[nH]cnc2n1","Nc1nc2c(c(n1)C(F)(F)F)[nH]cn2",{"$nulls":4},203.041879788,"?"]
[3311,"CCN(CC)c1nc(NC(C)C)nc(OC)n1","3004-70-4","CCN(CC)c1nc(NC(C)C)nc(OC)n1","CCN(CC)c1nc(nc(n1)NC(C)C)OC",{"$nulls":4},239.17461029199998,"?"]
[3312,"CNc1nc(Cl)nc(NC(C)C)n1","3004-71-5","CNc1nc(Cl)nc(NC(C)C)n1","CNc1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},201.07812306399998,"?"]
[3313,"Oc1ccc(C=O)cc1[N+]([O-])=O","3011-34-5","O=Cc1ccc(O)c([N+](=O)[O-])c1","O=Cc1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},167.02185764,"?"]
[3314,"CC(Br)CCl","3017-95-6","CC(Br)CCl","CC(Br)CCl",{"$nulls":4},155.934139972,"?"]
[3315,null,"3029-48-9",{"$nulls":7},""]
[3316,"CC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O","3032-55-1","CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]",{"$nulls":4},255.03387886800002,"?"]
[3317,"CNc1nc(NC(C)C)nc(OC)n1","3035-45-8","CNc1nc(NC(C)C)nc(OC)n1","CNc1nc(nc(n1)NC(C)C)OC",{"$nulls":4},197.12766009999999,"?"]
[3318,"NC1=C(Br)C(=O)N(N=C1)c2ccccc2","3042-84-0","Nc1cnn(-c2ccccc2)c(=O)c1Br","Nc1c(c(n(nc1)-c2ccccc2)=O)Br",{"$nulls":4},264.9850739760002,"?"]
[3319,"CC(CCC(O)=O)CC(O)=O","3058-01-3","CC(CCC(=O)O)CC(=O)O","CC(CCC(=O)O)CC(=O)O",{"$nulls":4},160.073558864,"?"]
[3320,null,"3060-46-6",{"$nulls":7},""]
[3321,"CON(C)C(=O)Nc1ccc(Br)cc1","3060-89-7","CON(C)C(=O)Nc1ccc(Br)cc1","CON(C)C(=O)Nc1ccc(cc1)Br",{"$nulls":4},258.00038969200006,"?"]
[3322,"CC(C)C(NC(C)=O)C(O)=O","3067-19-4","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C",{"$nulls":4},159.089543276,"?"]
[3323,"CC1CC(=O)O1","3068-88-0","CC1CC(=O)O1","CC1OC(C1)=O",{"$nulls":4},86.036779432,"?"]
[3324,"C=CCCCC=C","3070-53-9","C=CCCCC=C","C=CCCCC=C",{"$nulls":4},96.093900384,"?"]
[3325,"CC1CCCC(C)(C)C1","3073-66-3","CC1CCCC(C)(C)C1","CC1CC(CCC1)(C)C",{"$nulls":4},126.14085057599999,"?"]
[3326,"Cc1ccc(cc1)N(CCO)CCO","3077-12-1","Cc1ccc(N(CCO)CCO)cc1","Cc1ccc(cc1)N(CCO)CCO",{"$nulls":4},195.125928784,"?"]
[3327,"OC(=O)CNCCC#N","3088-42-4","N#CCCNCC(=O)O","N#CCCNCC(=O)O",{"$nulls":4},128.058577496,"?"]
[3328,"CC[CH](C)[CH](N)C(O)=O","3107-04-8","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[3329,"OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccccc3","3109-12-4","O=C(CCCN1CCC(O)(c2ccccc2)CC1)c1ccc(F)cc1","O=C(CCCN1CCC(CC1)(O)c2ccccc2)c3ccc(cc3)F",{"$nulls":4},341.1791072280007,"?"]
[3331,"CC(C)(C)CCCO","3121-79-7","CC(C)(C)CCCO","CC(C)(C)CCCO",{"$nulls":4},116.120115132,"?"]
[3332,null,"3130-86-7",{"$nulls":7},""]
[3333,"CN(C)C(=O)N(c1ccc(Cl)c(Cl)c1)C(=O)c2ccccc2","3134-12-1","CN(C)C(=O)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1","CN(C)C(=O)N(C(=O)c1ccccc1)c2cc(c(cc2)Cl)Cl",{"$nulls":4},336.0432330480004,"?"]
[3334,null,"3135-74-8",{"$nulls":7},""]
[3335,null,"3146-41-6",{"$nulls":7},""]
[3336,"OCC(O)C(O)C(O)C(O)C(O)C=O","3146-50-7","O=CC(O)C(O)C(O)C(O)C(O)CO","O=CC(O)C(O)C(O)C(O)C(O)CO",{"$nulls":4},210.073952788,"?"]
[3337,"CCCCC1(CC=C)C(=O)NC(=O)NC1=O","3146-66-5","C=CCC1(CCCC)C(=O)NC(=O)NC1=O","C=CCC1(C(NC(NC1=O)=O)=O)CCCC",{"$nulls":4},224.116092372,"?"]
[3338,"OC(=O)C1=CC(C=CC1=O)=NNc2ccccc2","3147-53-3","O=C(O)C1=CC(=NNc2ccccc2)C=CC1=O","O=C(O)C=1C(C=CC(C1)=NNc2ccccc2)=O",{"$nulls":4},242.06914218,"?"]
[3339,"CCCCNC(=O)N[S](=O)(=O)c1ccccc1","3149-00-6","CCCCNC(=O)NS(=O)(=O)c1ccccc1","CCCCNC(=O)NS(=O)(=O)c1ccccc1",{"$nulls":4},256.088163372,"?"]
[3340,"COc1ccc(cc1)C(=O)CCC(O)=O","3153-44-4","COc1ccc(C(=O)CCC(=O)O)cc1","COc1ccc(cc1)C(=O)CCC(=O)O",{"$nulls":4},208.073558864,"?"]
[3341,null,"3164-99-6",{"$nulls":7},""]
[3342,null,"3172-00-7",{"$nulls":7},""]
[3343,"Cc1ccc(cc1)[S](C)(=O)=O","3185-99-7","Cc1ccc(S(C)(=O)=O)cc1","Cc1ccc(cc1)S(C)(=O)=O",{"$nulls":4},170.04015056,"?"]
[3344,null,"3192-10-7",{"$nulls":7},""]
[3345,"BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br","3194-55-6","BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br","BrC1C(CCC(C(CCC(C(CC1)Br)Br)Br)Br)Br",{"$nulls":4},635.6508731760006,"?"]
[3346,null,"3196-84-7",{"$nulls":7},""]
[3347,null,"3196-85-8",{"$nulls":7},""]
[3348,"Oc1ccccc1C(=O)N2CCOCC2","3202-84-4","O=C(c1ccccc1O)N1CCOCC1","O=C(c1c(cccc1)O)N2CCOCC2",{"$nulls":4},207.089543276,"?"]
[3349,null,"3209-15-2",{"$nulls":7},""]
[3350,"[O-][N+](=O)c1cccc(Cl)c1Cl","3209-22-1","O=[N+]([O-])c1cccc(Cl)c1Cl","O=[N+]([O-])c1c(c(ccc1)Cl)Cl",{"$nulls":4},190.954083696,"?"]
[3351,null,"3209-71-0",{"$nulls":7},""]
[3352,null,"3213-22-7",{"$nulls":7},""]
[3353,"CC(C)c1cccc(C)c1O","3228-04-4","Cc1cccc(C(C)C)c1O","Cc1c(c(ccc1)C(C)C)O",{"$nulls":4},150.104465068,"?"]
[3354,"BrCC(CBr)(CBr)CBr","3229-00-3","BrCC(CBr)(CBr)CBr","BrCC(CBr)(CBr)CBr",{"$nulls":4},383.73594865600023,"?"]
[3355,"OC(=O)c1oc(cc1)C(O)=O","3238-40-2","O=C(O)c1ccc(C(=O)O)o1","O=C(O)c1oc(cc1)C(=O)O",{"$nulls":4},156.00587322799998,"?"]
[3356,"CCCO[P](=S)(OCCC)O[P](=S)(OCCC)OCCC","3244-90-4","CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC","CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC",{"$nulls":4},378.08533925600074,"?"]
[3357,"Cc1ccnc2c1ccc3c(C)ccnc23","3248-05-3","Cc1ccnc2c1ccc1c(C)ccnc12","Cc1c2c(ncc1)c3c(cc2)c(C)ccn3",{"$nulls":4},208.100048384,"?"]
[3358,"CCC(=O)OOC(=O)CC","3248-28-0","CCC(=O)OOC(=O)CC","CCC(=O)OOC(=O)CC",{"$nulls":4},146.0579088,"?"]
[3359,null,"3260-51-3",{"$nulls":7},""]
[3360,null,"3260-52-4",{"$nulls":7},""]
[3361,"Clc1c(Cl)c(Cl)c2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2c1Cl","3268-87-9","Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",{"$nulls":4},455.74065067999993,"?"]
[3362,null,"3283-26-9",{"$nulls":7},""]
[3363,"CCC(COC(=O)C(C)=C)(COC(=O)C(C)=C)COC(=O)C(C)=C","3290-92-4","C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C","C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C",{"$nulls":4},338.17293855200074,"?"]
[3364,"OCC(CO)(CBr)CBr","3296-90-0","OCC(CO)(CBr)CBr","OCC(CO)(CBr)CBr",{"$nulls":4},259.9047537600001,"?"]
[3365,null,"3299-82-9",{"$nulls":7},""]
[3366,"CC(Oc1ccc(Cl)cc1)C(O)=O","3307-39-9","CC(Oc1ccc(Cl)cc1)C(=O)O","CC(Oc1ccc(cc1)Cl)C(=O)O",{"$nulls":4},200.024021828,"?"]
[3367,"[O-][N+](=O)c1oc(C=CC=NN2CCOC2=O)cc1","3318-78-3","O=C1OCCN1N=CC=Cc1ccc([N+](=O)[O-])o1","O=C1N(CCO1)N=CC=Cc2oc(cc2)[N+](=O)[O-]",{"$nulls":4},251.054220388,"?"]
[3368,"CN(C)C(N)=N","3324-71-8","CN(C)C(=N)N","CN(C)C(=N)N",{"$nulls":4},87.07964728799999,"?"]
[3369,null,"3333-23-1",{"$nulls":7},""]
[3370,"COC(=O)N[S](=O)(=O)c1ccc(N)cc1","3337-71-1","COC(=O)NS(=O)(=O)c1ccc(N)cc1","COC(=O)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":4},230.0361278,"?"]
[3371,"OCC(O)C(O)C(O)C(O)C(O)CO","3343-95-1","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",{"$nulls":4},212.089602852,"?"]
[3372,null,"3349-62-0",{"$nulls":7},""]
[3373,"Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl","3380-34-5","Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl","Oc1c(ccc(c1)Cl)Oc2c(cc(cc2)Cl)Cl",{"$nulls":4},287.9511625040002,"?"]
[3374,"CO[P](=S)(OC)Oc1ccc(Sc2ccc(O[P](=S)(OC)OC)cc2)cc1","3383-96-8","COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1","COP(=S)(OC)Oc1ccc(cc1)Sc2ccc(cc2)OP(=S)(OC)OC",{"$nulls":4},465.9897246200005,"?"]
[3375,"C=CCCN=C=S","3386-97-8","C=CCCN=C=S","C=CCCN=C=S",{"$nulls":4},113.029920224,"?"]
[3376,null,"3387-87-9",{"$nulls":7},""]
[3377,"Nc1nc(N)nc(Cl)n1","3397-62-4","Nc1nc(N)nc(Cl)n1","Nc1nc(nc(n1)N)Cl",{"$nulls":4},145.015522808,"?"]
[3378,null,"3403-77-8",{"$nulls":7},""]
[3379,"OC(=O)C1Cc2ccccc2C=C1","3408-30-8","O=C(O)C1C=Cc2ccccc2C1","O=C(O)C1Cc2c(C=C1)cccc2",{"$nulls":4},174.06807956,"?"]
[3380,"Cc1cccc(C)c1NC(=O)CN2CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC2","3416-26-0","Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1","Cc1c(c(ccc1)C)NC(=O)CN2CCN(CC2)CCCC(c3ccc(cc3)F)c4ccc(cc4)F",{"$nulls":4},491.274819180001,"?"]
[3381,"NC(=O)CCCC(N)=O","3424-60-0","NC(=O)CCCC(N)=O","NC(=O)CCCC(N)=O",{"$nulls":4},130.07422756,"?"]
[3382,"Clc1ccc(cc1)C(=C(Cl)Cl)c2ccccc2Cl","3424-82-6","ClC(Cl)=C(c1ccc(Cl)cc1)c1ccccc1Cl","ClC(Cl)=C(c1ccc(cc1)Cl)c2c(cccc2)Cl",{"$nulls":4},315.9380109760002,"?"]
[3383,"CN1C(=O)N(C)c2n[se]nc2C1=O","3434-54-6","Cn1c(=O)c2n[se]nc2n(C)c1=O","Cn1c(n(c2c(c1=O)n[se]n2)C)=O",{"$nulls":4},245.965596732,"?"]
[3384,null,"3439-02-9",{"$nulls":7},""]
[3385,"CCCCCCCC#C","3452-09-3","C#CCCCCCCC","C#CCCCCCCC",{"$nulls":4},124.12520051199999,"?"]
[3386,"OCC1OC(O)C(O)C(O)C1O","3458-28-4","OCC1OC(O)C(O)C(O)C1O","OCC1C(C(C(C(O1)O)O)O)O",{"$nulls":4},180.063388104,"?"]
[3387,"CC1CCCCN1CCCOC(=O)c2ccc(Cl)c(Cl)c2","3478-94-2","CC1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1","CC1N(CCCC1)CCCOC(=O)c2cc(c(cc2)Cl)Cl",{"$nulls":4},329.09493427200056,"?"]
[3388,"CC(=C)C1(O)[CH]2OC(=O)[CH]1[C]3(O)[CH]4O[CH]4[C]5(CO5)[C]3(C)[CH]2O","3484-46-6","C=C(C)C1(O)C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2O","C=C(C)C1(C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O)O",{"$nulls":4},310.1052529160005,"?"]
[3389,"Clc1c(Cl)c(Cl)c2nccnc2c1Cl","3495-42-9","Clc1c(Cl)c(Cl)c2nccnc2c1Cl","Clc1c(c2c(c(c1Cl)Cl)nccn2)Cl",{"$nulls":4},265.89720878400004,"?"]
[3390,null,"3518-66-9",{"$nulls":7},""]
[3391,"CC(C)CCC(C)(C)C","3522-94-9","CC(C)CCC(C)(C)C","CC(C)CCC(C)(C)C",{"$nulls":4},128.15650064,"?"]
[3392,"[Na+].OC(C(COC(=O)CCC([O-])=O)NC(=O)C(Cl)Cl)c1ccc(cc1)[N+]([O-])=O","3544-94-3","O=C([O-])CCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc([N+](=O)[O-])cc1","O=C(O)CCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-]","[Na+]",{"$nulls":3},444.01031508000045,"Structure has been neutralized"]
[3393,"CCOC(=O)N(CC)CC","3553-80-8","CCOC(=O)N(CC)CC","CCOC(=O)N(CC)CC",{"$nulls":4},145.11027872,"?"]
[3394,"CCC(C)c1ccc(O)c(c1)[N+]([O-])=O","3555-18-8","CCC(C)c1ccc(O)c([N+](=O)[O-])c1","CCC(C)c1cc(c(cc1)O)[N+](=O)[O-]",{"$nulls":4},195.089543276,"?"]
[3395,"Oc1cc(O)c(c(O)c1)C(=O)c2ccccc2","3555-86-0","O=C(c1ccccc1)c1c(O)cc(O)cc1O","O=C(c1ccccc1)c2c(cc(cc2O)O)O",{"$nulls":4},230.0579088,"?"]
[3396,"CNC(=O)Oc1ccc(SC)c(C)c1","3566-00-5","CNC(=O)Oc1ccc(SC)c(C)c1","CNC(=O)Oc1cc(c(cc1)SC)C",{"$nulls":4},211.066699656,"?"]
[3397,"OC[CH]1OC2(COC3(CO2)O[CH](CO)[CH](O)[CH]3O)[CH](O)[CH]1O","3568-49-8","OCC1OC2(COC3(CO2)OC(CO)C(O)C3O)C(O)C1O","OCC1C(C(C2(O1)OCC3(OC2)C(C(C(O3)CO)O)O)O)O",{"$nulls":4},324.10564684000053,"?"]
[3398,"CC(C)Cc1sc(N[S](=O)(=O)c2ccc(N)cc2)nn1","3571-94-6","CC(C)Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CC(C)Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},312.0714677520005,"?"]
[3399,"CN(Cc1cc(Br)cc(Br)c1N)C2CCCCC2","3572-43-8","CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1","CN(Cc1c(c(cc(c1)Br)Br)N)C2CCCCC2",{"$nulls":4},373.9993228400006,"?"]
[3400,"OCCN(Cc1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1)C(=O)C(Cl)Cl","3576-64-5","O=C(C(Cl)Cl)N(CCO)Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1","O=C(C(Cl)Cl)N(CCO)Cc1ccc(cc1)Oc2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},398.0436269720004,"?"]
[3401,null,"3578-47-0",{"$nulls":7},""]
[3402,"OC(=O)C=CC=CC(O)=O","3588-17-8","O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O",{"$nulls":4},142.026608672,"?"]
[3403,"FC(F)(F)c1[nH]c2ccc(Cl)c(Cl)c2n1","3615-21-2","FC(F)(F)c1nc2c(Cl)c(Cl)ccc2[nH]1","FC(F)(F)c1[nH]c2c(n1)c(Cl)c(Cl)cc2",{"$nulls":4},253.962538116,"?"]
[3404,"CCC1(C(=O)NC(=O)NC1=O)C2=CC3CCC(C3)C2","3625-25-0","CCC1(C2=CC3CCC(C2)C3)C(=O)NC(=O)NC1=O","CCC1(C(NC(NC1=O)=O)=O)C=2CC3CCC(C2)C3",{"$nulls":4},262.1317424360002,"?"]
[3405,"CCC(O)(CC)C([O-])=O","3639-21-2","CCC(O)(CC)C(=O)[O-]","CCC(O)(CC)C(=O)O",{"$nulls":4},131.070819212,"Structure has been neutralized"]
[3406,"C[CH](CC(O)=O)C(O)=O","3641-51-8","CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O",{"$nulls":4},132.042258736,"?"]
[3407,"NC(C(O)C(O)C(O)CO)C(O)=O","3646-68-2","NC(C(=O)O)C(O)C(O)C(O)CO","NC(C(=O)O)C(O)C(O)C(O)CO",{"$nulls":4},195.074287136,"?"]
[3408,"C(Cc1ccccc1)NCc2ccccc2","3647-71-0","c1ccc(CCNCc2ccccc2)cc1","c1ccc(cc1)CCNCc2ccccc2",{"$nulls":4},211.136099544,"?"]
[3409,"CCc1ccc(NC(C)=O)cc1","3663-34-1","CCc1ccc(NC(C)=O)cc1","CCc1ccc(cc1)NC(C)=O",{"$nulls":4},163.099714036,"?"]
[3410,"OCCCCCCCCCCC([O-])=O","3669-80-5","O=C([O-])CCCCCCCCCCO","O=C(O)CCCCCCCCCCO",{"$nulls":4},201.149069532,"Structure has been neutralized"]
[3411,"COc1cc(OC)c2C(=O)C3(Oc2c1)C(C)CC(=O)C=C3OC","3680-32-8","COC1=CC(=O)CC(C)C12Oc1cc(OC)cc(OC)c1C2=O","COC=1C2(C(CC(C1)=O)C)C(c3c(O2)cc(OC)cc3OC)=O",{"$nulls":4},318.1103382960005,"?"]
[3412,"CCOC(C)C(=O)C=O","3688-37-7","CCOC(C)C(=O)C=O","CCOC(C)C(=O)C=O",{"$nulls":4},130.06299418,"?"]
[3413,"CCO[P](=S)(OCC)O[P](=S)(OCC)OCC","3689-24-5","CCOP(=S)(OCC)OP(=S)(OCC)OCC","CCOP(=S)(OCC)OP(=S)(OCC)OCC",{"$nulls":4},322.0227390000005,"?"]
[3414,"Clc1ccc(cc1)C(C(=O)C2C(=O)c3ccccc3C2=O)c4ccccc4","3691-35-8","O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccc(Cl)cc1","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccc(cc4)Cl",{"$nulls":4},374.0709720200004,"?"]
[3415,"Cc1cc2ccccc2c3ccc4ccccc4c13","3697-24-3","Cc1cc2ccccc2c2ccc3ccccc3c12","Cc1c2c(c3c(c1)cccc3)ccc4c2cccc4",{"$nulls":4},242.109550448,"?"]
[3416,"Cc1c(C)c2c3ccccc3ccc2c4ccccc14","3697-27-6","Cc1c(C)c2c3ccccc3ccc2c2ccccc12","Cc1c2c(c3c(c1C)c4c(cccc4)cc3)cccc2",{"$nulls":4},256.125200512,"?"]
[3417,"CCc1c2ccccc2cc3c1ccc4ccccc34","3697-30-1","CCc1c2ccccc2cc2c1ccc1ccccc12","CCc1c2c(cc3c1cccc3)c4c(cc2)cccc4",{"$nulls":4},256.125200512,"?"]
[3418,"N[S](=O)(=O)c1cccc(c1)[S](N)(=O)=O","3701-01-7","NS(=O)(=O)c1cccc(S(N)(=O)=O)c1","NS(=O)(=O)c1cc(ccc1)S(N)(=O)=O",{"$nulls":4},235.992548736,"?"]
[3419,"Cc1cc(C)c[n+]([O-])c1","3718-65-8","Cc1cc(C)c[n+]([O-])c1","Cc1c[n+](cc(c1)C)[O-]",{"$nulls":4},123.068413908,"?"]
[3420,"CC=CC(O)=O","3724-65-0","CC=CC(=O)O","CC=CC(=O)O",{"$nulls":4},86.036779432,"?"]
[3421,"NCc1ccccn1","3731-51-9","NCc1ccccn1","NCc1ncccc1",{"$nulls":4},108.06874825599999,"?"]
[3422,"NCc1ccncc1","3731-53-1","NCc1ccncc1","NCc1ccncc1",{"$nulls":4},108.06874825599999,"?"]
[3423,"CCO[P](=O)(OCC)SCC(=O)NC(C)(C)C#N","3734-95-0","CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N","CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N",{"$nulls":4},294.0803147180006,"?"]
[3424,"CCO[P](=S)(OCC)Oc1ccc(N)cc1","3735-01-1","CCOP(=S)(OCC)Oc1ccc(N)cc1","CCOP(=S)(OCC)Oc1ccc(cc1)N",{"$nulls":4},261.05885100200015,"?"]
[3425,"O=C1c2ccccc2C(=O)c3c4Nc5ccc6ccccc6c5C(=O)c4ccc13","3737-76-6","O=C1c2ccccc2C(=O)c2c1ccc1c(=O)c3c(ccc4ccccc43)[nH]c21","O=C1c2c(C(c3c1cccc3)=O)c4c(cc2)c(=O)c5c6c(ccc5[nH]4)cccc6",{"$nulls":4},375.08954327600037,"?"]
[3426,"Clc1cc(Cl)nc(n1)c2ccccc2","3740-92-9","Clc1cc(Cl)nc(-c2ccccc2)n1","Clc1nc(nc(c1)Cl)-c2ccccc2",{"$nulls":4},223.990803552,"?"]
[3427,"CCCCCC1CCCC1","3741-00-2","CCCCCC1CCCC1","CCCCCC1CCCC1",{"$nulls":4},140.15650064,"?"]
[3428,"O=[S]1OCCO1","3741-38-6","O=S1OCCO1","O=S1OCCO1",{"$nulls":4},107.988114988,"?"]
[3429,null,"3751-95-9",{"$nulls":7},""]
[3430,"CC(C#C)N(C)C(=O)Nc1ccc(Cl)cc1","3766-60-7","C#CC(C)N(C)C(=O)Nc1ccc(Cl)cc1","C#CC(C)N(C)C(=O)Nc1ccc(cc1)Cl",{"$nulls":4},236.071640716,"?"]
[3431,"CCC(C)c1ccccc1OC(=O)NC","3766-81-2","CCC(C)c1ccccc1OC(=O)NC","CCC(C)c1c(cccc1)OC(=O)NC",{"$nulls":4},207.125928784,"?"]
[3432,"Cc1cc(ccc1N=Nc2ccccc2)N(CCO)CCO","3771-38-8","Cc1cc(N(CCO)CCO)ccc1N=Nc1ccccc1","Cc1c(ccc(c1)N(CCO)CCO)N=Nc2ccccc2","[2H]IS",{"$nulls":3},460.0555709760006,"?"]
[3433,"COc1cc(N[S](=O)(=O)c2ccc(N)cc2)nc(C)n1","3772-76-7","COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C",{"$nulls":4},294.07866130800045,"?"]
[3434,"[K+].[O-][Cl](=O)=O","3811-04-9","[O-][Cl+2]([O-])[O-]","[O-][Cl+2]([O-])[O-]","[K+]",{"$nulls":3},121.91730322000001,"Errors in neutralization"]
[3435,"CO[P]1(=S)OCc2ccccc2O1","3811-49-2","COP1(=S)OCc2ccccc2O1","COP1(Oc2c(CO1)cccc2)=S",{"$nulls":4},216.001001778,"?"]
[3436,"OC(=O)CN1C(=O)Sc2cccc(Cl)c12","3813-05-6","O=C(O)Cn1c(=O)sc2cccc(Cl)c21","O=C(O)Cn1c2c(sc1=O)cccc2Cl",{"$nulls":4},242.975691732,"?"]
[3437,"NNC(=O)CC(=O)NN","3815-86-9","NNC(=O)CC(=O)NN","NNC(=O)CC(=O)NN",{"$nulls":4},132.064725496,"?"]
[3438,"OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23","3820-67-5","O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12","O=C(OCC(O)CO)c1c(cccc1)Nc2c3c(ncc2)cc(Cl)cc3",{"$nulls":4},372.0876847040005,"?"]
[3439,"C[CH]([NH3+])C(C)(C)C","3850-30-4","CC([NH3+])C(C)(C)C","CC(N)C(C)(C)C",{"$nulls":4},102.12827451199999,"Structure has been neutralized"]
[3440,"COCCC(=O)OC","3852-09-3","COCCC(=O)OC","COCCC(=O)OC",{"$nulls":4},118.06299418,"?"]
[3441,"NNC(=O)C(O)C(O)C(O)C(O)CO","3868-12-0","NNC(=O)C(O)C(O)C(O)C(O)CO","NNC(=O)C(O)C(O)C(O)C(O)CO",{"$nulls":4},210.085186168,"?"]
[3442,"[nH]1c2ccccc2nc1c3occc3","3878-19-1","c1coc(-c2nc3ccccc3[nH]2)c1","c1cc(oc1)-c2[nH]c3c(n2)cccc3",{"$nulls":4},184.063662876,"?"]
[3443,"CC(=O)OC[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)C=O","3891-59-6","CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O","CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O",{"$nulls":4},390.11621152400056,"?"]
[3444,null,"3912-28-5",{"$nulls":7},""]
[3445,"Brc1ccc2Nc3ccccc3Sc2c1","3939-23-9","Brc1ccc2c(c1)Sc1ccccc1N2","Brc1cc2c(cc1)Nc3c(S2)cccc3",{"$nulls":4},276.95608235600025,"?"]
[3446,null,"3939-24-0",{"$nulls":7},""]
[3447,"ClCC[S](=O)(=O)CC[S](=O)(=O)CCCl","3944-87-4","O=S(=O)(CCCl)CCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCS(=O)(=O)CCCl",{"$nulls":4},281.95540622400034,"?"]
[3448,"OC(=O)CN(CC(O)=O)Cc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O","3952-78-1","O=C(O)CN(CC(=O)O)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O","O=C(O)CN(CC(=O)O)Cc1c(c(c2c(c1)C(c3c(C2=O)cccc3)=O)O)O",{"$nulls":4},385.07976644000036,"?"]
[3449,"COC(=O)c1ccc(O)c(Cl)c1","3964-57-6","COC(=O)c1ccc(O)c(Cl)c1","COC(=O)c1cc(c(cc1)O)Cl",{"$nulls":4},186.008371764,"?"]
[3450,"CCC(O)C(C)(C)C","3970-62-5","CCC(O)C(C)(C)C","CCC(O)C(C)(C)C",{"$nulls":4},116.120115132,"?"]
[3451,null,"3972-40-5",{"$nulls":7},""]
[3452,"CCCCCCC(C(O)=O)C(O)=O","3974-36-5","CCCCCCC(C(=O)O)C(=O)O","CCCCCCC(C(=O)O)C(=O)O",{"$nulls":4},188.104858992,"?"]
[3453,"OC(=O)COc1c(Cl)ccc(Cl)c1Cl","4007-00-5","O=C(O)COc1c(Cl)ccc(Cl)c1Cl","O=C(O)COc1c(c(ccc1Cl)Cl)Cl",{"$nulls":4},253.93042705999997,"?"]
[3454,null,"4059-62-5",{"$nulls":7},""]
[3455,"[Na+].COc1cc(O)c(cc1[S]([O-])(=O)=O)C(=O)c2ccccc2","4065-45-6","COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)[O-]","COc1c(cc(c(c1)O)C(=O)c2ccccc2)S(=O)(=O)O","[Na+]",{"$nulls":3},330.0174033520003,"Structure has been neutralized"]
[3456,"COCC(=O)c1ccccc1","4079-52-1","COCC(=O)c1ccccc1","COCC(=O)c1ccccc1",{"$nulls":4},150.06807956,"?"]
[3457,"[Cl-].ClC=CC[N+]12CN3CN(CN(C3)C1)C2","4080-31-3","ClC=CC[N+]12CN3CN(CN(C3)C1)C2","ClC=CC[N+]12CN3CN(CN(C1)C3)C2","[Cl-]",{"$nulls":3},250.07520187199998,"?"]
[3458,"Nc1ncnc(NCc2ccccc2)n1","4086-63-9","Nc1ncnc(NCc2ccccc2)n1","Nc1nc(ncn1)NCc2ccccc2",{"$nulls":4},201.10144535199998,"?"]
[3459,"CC=CCO","4088-60-2","CC=CCO","CC=CCO",{"$nulls":4},72.057514876,"?"]
[3460,null,"4100-02-1",{"$nulls":7},""]
[3461,null,"4111-60-8",{"$nulls":7},""]
[3462,null,"4126-55-0",{"$nulls":7},""]
[3463,"CCCCCCC(C)O","4128-31-8","CCCCCCC(C)O","CCCCCCC(C)O",{"$nulls":4},130.135765196,"?"]
[3464,"CCSc1nc(NC(C)C)nc(NC(C)C)n1","4147-51-7","CCSc1nc(NC(C)C)nc(NC(C)C)n1","CCSc1nc(nc(n1)NC(C)C)NC(C)C",{"$nulls":4},255.15176667199998,"?"]
[3465,"[O-][N+](=O)N1CCOCC1","4164-32-3","O=[N+]([O-])N1CCOCC1","O=[N+]([O-])N1CCOCC1",{"$nulls":4},132.053492116,"?"]
[3466,"CC=CC=O","4170-30-3","CC=CC=O","CC=CC=O",{"$nulls":4},70.041864812,"?"]
[3467,null,"4181-03-7",{"$nulls":7},""]
[3468,null,"4195-16-8",{"$nulls":7},""]
[3469,"CCCCOC(=O)CCOC","4195-88-4","CCCCOC(=O)CCOC","CCCCOC(=O)CCOC",{"$nulls":4},160.109944372,"?"]
[3470,"OC(=O)C[CH](Cl)C(O)=O","4198-33-8","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O",{"$nulls":4},151.98763632,"?"]
[3471,"[O-][N+](=O)c1cc2cccnc2c3ncccc13","4199-88-6","O=[N+]([O-])c1cc2cccnc2c2ncccc12","O=[N+]([O-])c1c2c(c3c(c1)cccn3)nccc2",{"$nulls":4},225.053826464,"?"]
[3472,"CCC1=CNC(=O)NC1=O","4212-49-1","CCc1c[nH]c(=O)[nH]c1=O","CCc1c([nH]c([nH]c1)=O)=O",{"$nulls":4},140.058577496,"?"]
[3473,"CNC(CC(O)=O)C(O)=O","4226-18-0","CNC(CC(=O)O)C(=O)O","CNC(CC(=O)O)C(=O)O",{"$nulls":4},147.053157768,"?"]
[3474,"CC(C)(C)OC(N)=O","4248-19-5","CC(C)(C)OC(N)=O","CC(C)(C)OC(N)=O",{"$nulls":4},117.078978592,"?"]
[3475,"Nc1ncnc2n(Cc3ccccc3)cnc12","4261-14-7","Nc1ncnc2c1ncn2Cc1ccccc1","Nc1c2c(ncn1)n(cn2)Cc3ccccc3",{"$nulls":4},225.10144535199998,"?"]
[3476,"CC(=O)OCCSCCOC(C)=O","4275-28-9","CC(=O)OCCSCCOC(C)=O","CC(=O)OCCSCCOC(C)=O",{"$nulls":4},206.061279928,"?"]
[3477,"OC(=O)c1ccccc1CC(=O)c2ccccc2C(O)=O","4281-16-7","O=C(O)c1ccccc1CC(=O)c1ccccc1C(=O)O","O=C(O)c1c(cccc1)CC(=O)c2c(cccc2)C(=O)O",{"$nulls":4},284.0684734840003,"?"]
[3478,"CCCCCCCI","4282-40-0","CCCCCCCI","CCCCCCCI",{"$nulls":4},226.02184848,"?"]
[3479,null,"4315-09-7",{"$nulls":7},""]
[3480,"Clc1ccc(cc1)N=Nc2ccccc2","4340-77-6","Clc1ccc(N=Nc2ccccc2)cc1","Clc1ccc(cc1)N=Nc2ccccc2",{"$nulls":4},216.045425968,"?"]
[3481,"[O-][N+](=O)c1oc(cc1)C=NN2CCCOC2=O","4341-15-5","O=C1OCCCN1N=Cc1ccc([N+](=O)[O-])o1","O=C1N(CCCO1)N=Cc2oc(cc2)[N+](=O)[O-]",{"$nulls":4},239.054220388,"?"]
[3482,"O=C1Cc2c(O1)ccc3ccccc23","4352-63-0","O=C1Cc2c(ccc3ccccc23)O1","O=C1Oc2c(C1)c3c(cc2)cccc3",{"$nulls":4},184.052429496,"?"]
[3483,"CC[CH]1[CH](O)N2[CH]3C[CH]1C4C(O)[C]5(C[CH]24)[CH]3N(C)c6ccccc56","4360-12-7","CCC1C2CC3C4N(C)c5ccccc5C45CC(C2C5O)N3C1O","CCC1C(N2C3CC1C4C2CC5(C3N(C)c6c5cccc6)C4O)O",{"$nulls":4},326.1994280720007,"?"]
[3484,"CCCCCCCCCCC(C(O)=O)C(O)=O","4372-29-6","CCCCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCCCC(C(=O)O)C(=O)O",{"$nulls":4},244.167459248,"?"]
[3485,"[O-]C(=O)CCC[P]([O-])([O-])=O","4378-43-2","O=C([O-])CCCP(=O)([O-])[O-]","O=C(O)CCCP(=O)(O)O",{"$nulls":4},164.995284922,"Structure has been neutralized"]
[3486,"Cc1ccc(O)c(CO)c1","4383-07-7","Cc1ccc(O)c(CO)c1","Cc1cc(c(cc1)O)CO",{"$nulls":4},138.06807956,"?"]
[3487,null,"4383-93-1",{"$nulls":7},""]
[3488,"CCOC(=O)c1[nH]c(C=O)c(CC)c1C","4391-87-1","CCOC(=O)c1[nH]c(C=O)c(CC)c1C","CCOC(=O)c1c(c(c([nH]1)C=O)CC)C",{"$nulls":4},209.10519334,"?"]
[3489,"OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F","4394-00-7","O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1","O=C(O)c1c(nccc1)Nc2cc(ccc2)C(F)(F)F",{"$nulls":4},282.06161218800025,"?"]
[3490,"CC(=O)CC1CCCCN1","4396-01-4","CC(=O)CC1CCCCN1","CC(=O)CC1NCCCC1",{"$nulls":4},141.1153641,"?"]
[3491,"OC(=O)C[P](O)(O)=O","4408-78-0","O=C(O)CP(=O)(O)O","O=C(O)CP(=O)(O)O",{"$nulls":4},139.98745989,"?"]
[3492,null,"4411-97-6",{"$nulls":7},""]
[3493,"Nc1n[nH]nn1","4418-61-5","Nc1nn[nH]n1","Nc1n[nH]nn1",{"$nulls":4},85.03884509599999,"?"]
[3494,"CC(C)c1cc(C)ccc1O","4427-56-9","Cc1ccc(O)c(C(C)C)c1","Cc1cc(c(cc1)O)C(C)C",{"$nulls":4},150.104465068,"?"]
[3495,null,"4430-05-1",{"$nulls":7},""]
[3496,"COC(C)CCOC(C)=O","4435-53-4","COC(C)CCOC(C)=O","COC(C)CCOC(C)=O",{"$nulls":4},146.094294308,"?"]
[3497,"OC(=O)CC=CCC(O)=O","4436-74-2","O=C(O)CC=CCC(=O)O","O=C(O)CC=CCC(=O)O",{"$nulls":4},144.042258736,"?"]
[3498,"CCC(NO)=C(CC)N=O","4437-52-9","CCC(N=O)=C(CC)NO","CCC(N=O)=C(CC)NO",{"$nulls":4},144.089877624,"?"]
[3499,"O=[P](N1CCOCC1)(N2CCOCC2)N3CCOCC3","4441-12-7","O=P(N1CCOCC1)(N1CCOCC1)N1CCOCC1","O=P(N1CCOCC1)(N2CCOCC2)N3CCOCC3",{"$nulls":4},305.15044287800066,"?"]
[3500,null,"4441-51-4",{"$nulls":7},""]
[3501,"OC(C1CCCCC1)C(O)=O","4442-94-8","O=C(O)C(O)C1CCCCC1","O=C(O)C(O)C1CCCCC1",{"$nulls":4},158.094294308,"?"]
[3502,"CC(CCC(C)C(O)=O)C(O)=O","4454-18-6","CC(CCC(C)C(=O)O)C(=O)O","CC(CCC(C)C(=O)O)C(=O)O",{"$nulls":4},174.089208928,"?"]
[3503,"Cc1cnc(N[S](=O)(=O)c2ccc(N)cc2)nc1C","4462-43-5","Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1C","Cc1c(nc(nc1)NS(=O)(=O)c2ccc(cc2)N)C",{"$nulls":4},278.08374668800036,"?"]
[3504,null,"4489-33-2",{"$nulls":7},""]
[3505,"CC1CCC(C)(C)C1","4516-69-2","CC1CCC(C)(C)C1","CC1CC(CC1)(C)C",{"$nulls":4},112.12520051199999,"?"]
[3506,"CC1NC(=O)CNC1=O","4526-77-6","CC1NC(=O)CNC1=O","CC1C(NCC(N1)=O)=O",{"$nulls":4},128.058577496,"?"]
[3507,"CN(C=C)N=O","4549-40-0","C=CN(C)N=O","C=CN(C)N=O",{"$nulls":4},86.048012812,"?"]
[3508,"CCCCN(CC)N=O","4549-44-4","CCCCN(CC)N=O","CCCCN(CC)N=O",{"$nulls":4},130.110613068,"?"]
[3509,"O=C1NC=NC=C1","4562-27-0","O=c1ccnc[nH]1","O=c1[nH]cncc1",{"$nulls":4},96.032362748,"?"]
[3510,"CC1=NN(C(=O)CC1)c2ccccc2","4578-58-9","CC1=NN(c2ccccc2)C(=O)CC1","CC=1CCC(N(N1)c2ccccc2)=O",{"$nulls":4},188.094963004,"?"]
[3511,null,"4584-66-1",{"$nulls":7},""]
[3512,"OC1=C(Br)C=CC=CC1=O","4584-68-3","O=c1ccccc(Br)c1O","O=c1c(c(cccc1)Br)O",{"$nulls":4},199.9472915,"?"]
[3513,"CC(=O)C1(C)CO1","4587-00-2","CC(=O)C1(C)CO1","CC(=O)C1(OC1)C",{"$nulls":4},100.052429496,"?"]
[3514,null,"4596-56-9",{"$nulls":7},""]
[3515,null,"4607-63-0",{"$nulls":7},""]
[3516,"OC[CH]1O[CH](O[CH]2[CH](CO)O[C](O)(CO)[CH]2O)[CH](O)[CH](O)[CH]1O","4618-18-2","OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(OC2CO)(O)CO)O)O)O)O",{"$nulls":4},342.11621152400056,"?"]
[3517,null,"4636-40-2",{"$nulls":7},""]
[3518,null,"4636-41-3",{"$nulls":7},""]
[3519,"CCN(CC)C(=O)OC","4652-44-2","CCN(CC)C(=O)OC","CCN(CC)C(=O)OC",{"$nulls":4},131.094628656,"?"]
[3520,"OC(=O)CCC(=O)c1cccc2ccccc12","4653-13-8","O=C(O)CCC(=O)c1cccc2ccccc12","O=C(O)CCC(=O)c1c2c(ccc1)cccc2",{"$nulls":4},228.078644244,"?"]
[3521,"CSc1nc(NC(C)C)nc(N=[N+]=[N-])n1","4658-28-0","CSc1nc(N=[N+]=[N-])nc(NC(C)C)n1","CSc1nc(nc(n1)N=[N+]=[N-])NC(C)C",{"$nulls":4},225.07966435199998,"?"]
[3522,"C[n+]1ccc(cc1)c2cc[n+](C)cc2","4685-14-7","C[n+]1ccc(-c2cc[n+](C)cc2)cc1","C[n+]1ccc(cc1)-c2cc[n+](cc2)C",{"$nulls":4},186.115698448,"?"]
[3523,"CC1(C)[CH]2CC[C](C)(C2)C1=O","4695-62-9","CC12CCC(C1)C(C)(C)C2=O","CC12CC(CC1)C(C)(C)C2=O",{"$nulls":4},152.120115132,"?"]
[3524,"N[P](N)(=O)c1ccccc1","4707-88-4","NP(N)(=O)c1ccccc1","NP(N)(=O)c1ccccc1",{"$nulls":4},156.04524953799998,"?"]
[3525,"CC(=O)O[CH]1[CH]2CC[CH]3[C](C)(O)[CH]4C[CH](O)C(C)(C)[C]4(O)[CH](O)C[C]13C[C]2(C)O","4720-09-6","CC(=O)OC1C2CCC3C(C)(O)C4CC(O)C(C)(C)C4(O)C(O)CC13CC2(C)O","CC(=O)OC1C23C(CCC1C(C2)(C)O)C(C)(O)C4C(C(C(C4)O)(C)C)(O)C(O)C3",{"$nulls":4},412.24610349200094,"?"]
[3526,null,"4724-01-0",{"$nulls":7},""]
[3527,"CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)[S](C)(=O)=O)[N+]([O-])=O","4726-14-1","CCCN(CCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(C)(=O)=O)[N+](=O)[O-]",{"$nulls":4},345.0994563280005,"?"]
[3528,"OC(=O)c1ccccc1C(=O)Nc2ccccc2","4727-29-1","O=C(O)c1ccccc1C(=O)Nc1ccccc1","O=C(O)c1c(cccc1)C(=O)Nc2ccccc2",{"$nulls":4},241.073893212,"?"]
[3529,"[I-].CCN1C=CC(=CC=Cc2cc[n+](CC)c3ccccc23)c4ccccc14","4727-50-8","CCN1C=CC(=CC=Cc2cc[n+](CC)c3ccccc23)c2ccccc21","CCN1c2c(C(C=C1)=CC=Cc3c4c([n+](cc3)CC)cccc4)cccc2","[I-]",{"$nulls":3},480.1062468000007,"?"]
[3530,"CCOc1ccc(c(c1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","4732-14-3","CCOc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]","CCOc1c(c(c(cc1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},257.02839956400004,"?"]
[3531,"CC(=O)Nc1ccccc1O","4746-61-6","CC(=O)Nc1ccccc1O","CC(=O)Nc1c(cccc1)O",{"$nulls":4},151.063328528,"?"]
[3532,null,"4770-31-4",{"$nulls":7},""]
[3533,"[O-]C(=O)c1cccc(Cl)c1[N+]([O-])=O","4771-47-5","O=C([O-])c1cccc(Cl)c1[N+](=O)[O-]","O=C(O)c1c(c(ccc1)Cl)[N+](=O)[O-]",{"$nulls":4},199.975060256,"Structure has been neutralized"]
[3534,null,"4775-82-0",{"$nulls":7},""]
[3535,"OC(=O)CCSSCCC(O)=O","4775-93-3","O=C(O)CCSSCCC(=O)O","O=C(O)CCSSCCC(=O)O",{"$nulls":4},210.0020508,"?"]
[3536,"OCc1cccc2ccccc12","4780-79-4","OCc1cccc2ccccc12","OCc1c2c(ccc1)cccc2",{"$nulls":4},158.07316494,"?"]
[3537,"CC=CC#N","4786-20-3","CC=CC#N","CC=CC#N",{"$nulls":4},67.04219916,"?"]
[3538,null,"4792-32-9",{"$nulls":7},""]
[3539,"CCCC(O)C=C","4798-44-1","C=CC(O)CCC","C=CC(O)CCC",{"$nulls":4},100.088815004,"?"]
[3540,"CC(C)C(O)C=C","4798-45-2","C=CC(O)C(C)C","C=CC(O)C(C)C",{"$nulls":4},100.088815004,"?"]
[3541,"CCC(O)C=CC","4798-58-7","CC=CC(O)CC","CC=CC(O)CC",{"$nulls":4},100.088815004,"?"]
[3542,"CCO[P](=S)(OCC)Oc1cc(Cl)c(Br)cc1Cl","4824-78-6","CCOP(=S)(OCC)Oc1cc(Cl)c(Br)cc1Cl","CCOP(=S)(OCC)Oc1c(cc(c(c1)Cl)Br)Cl",{"$nulls":4},391.8805193340003,"?"]
[3543,null,"4825-95-0",{"$nulls":7},""]
[3544,null,"4825-96-1",{"$nulls":7},""]
[3545,"OC(=O)C(=O)C(c1ccccc1)c2ccccc2","4834-67-7","O=C(O)C(=O)C(c1ccccc1)c1ccccc1","O=C(O)C(=O)C(c1ccccc1)c2ccccc2",{"$nulls":4},240.07864424399997,"?"]
[3546,"CCCCCCN1CCCC1=O","4838-65-7","CCCCCCN1CCCC1=O","CCCCCCN1C(CCC1)=O",{"$nulls":4},169.146664228,"?"]
[3547,"CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1","4849-32-5","CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1","CN(C)C(=O)Nc1cc(ccc1)OC(=O)NC(C)(C)C",{"$nulls":4},279.1582915320006,"?"]
[3548,"NC(N)=O.O[P](O)(O)=O","4861-19-2","O=P(O)(O)O","O=P(O)(O)O","NC(N)=O",{"$nulls":3},158.00925795400002,"?"]
[3549,"O=[P](Oc1ccccc1)(N2CCOCC2)N3CCOCC3","4881-17-8","O=P(Oc1ccccc1)(N1CCOCC1)N1CCOCC1","O=P(Oc1ccccc1)(N2CCOCC2)N3CCOCC3",{"$nulls":4},312.1238937820006,"?"]
[3550,null,"4890-38-4",{"$nulls":7},""]
[3551,"CCC(C)C(C)(C)O","4911-70-0","CCC(C)C(C)(C)O","CCC(C)C(C)(C)O",{"$nulls":4},116.120115132,"?"]
[3552,"OC(=O)CC(SC(CC(O)=O)C(O)=O)C(O)=O","4917-76-4","O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O","O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O",{"$nulls":4},266.0096382800003,"?"]
[3553,"Cc1cccc(O)c1[N+]([O-])=O","4920-77-8","Cc1cccc(O)c1[N+](=O)[O-]","Cc1c(c(ccc1)O)[N+](=O)[O-]",{"$nulls":4},153.042593084,"?"]
[3554,"ClCC(=O)NC(=O)CCl","4960-82-1","O=C(CCl)NC(=O)CCl","O=C(CCl)NC(=O)CCl",{"$nulls":4},168.96973376,"?"]
[3555,"C1CCC(CC1)N(Sc2sc3ccccc3n2)C4CCCCC4","4979-32-2","c1ccc2sc(SN(C3CCCCC3)C3CCCCC3)nc2c1","c1cc2c(cc1)sc(SN(C3CCCCC3)C4CCCCC4)n2",{"$nulls":4},346.1537408320007,"?"]
[3556,"COc1cc(C([O-])=O)c(cc1OC)[N+]([O-])=O","4998-07-6","COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1OC","COc1c(cc(c(c1)C(=O)O)[N+](=O)[O-])OC",{"$nulls":4},226.035161976,"Structure has been neutralized"]
[3557,"CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1","5003-48-5","CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1","CC(=O)Nc1ccc(cc1)OC(=O)c2c(cccc2)OC(C)=O",{"$nulls":4},313.0950225800004,"?"]
[3558,"O=[S](=O)(N1CCCCC1)c2ccccc2","5033-23-8","O=S(=O)(c1ccccc1)N1CCCCC1","O=S(=O)(c1ccccc1)N2CCCCC2",{"$nulls":4},225.08234972,"?"]
[3559,null,"5065-18-9",{"$nulls":7},""]
[3560,"CCN(CC)C(C#N)c1ccccc1","5097-99-4","CCN(CC)C(C#N)c1ccccc1","CCN(CC)C(C#N)c1ccccc1",{"$nulls":4},188.131348512,"?"]
[3561,"ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl","5103-71-9","ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl",{"$nulls":4},405.79777163200015,"?"]
[3562,"ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl","5103-74-2","ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl",{"$nulls":4},405.79777163200015,"?"]
[3563,"CC(C(O)=O)c1ccc(c(F)c1)c2ccccc2","5104-49-4","CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1","CC(C(=O)O)c1cc(c(cc1)-c2ccccc2)F",{"$nulls":4},244.089957876,"?"]
[3564,null,"5114-78-3",{"$nulls":7},""]
[3565,"CCO[P](=S)(OCC)N1C(=O)c2ccccc2C1=O","5131-24-8","CCOP(=S)(OCC)N1C(=O)c2ccccc2C1=O","CCOP(=S)(OCC)N1C(c2c(C1=O)cccc2)=O",{"$nulls":4},299.03811555800036,"?"]
[3566,"OC(=O)C(S)CCC(S)C(O)=O","5139-01-5","O=C(O)C(S)CCC(S)C(=O)O","O=C(O)C(S)CCC(S)C(=O)O",{"$nulls":4},210.0020508,"?"]
[3567,null,"5139-67-3",{"$nulls":7},""]
[3568,null,"5143-78-2",{"$nulls":7},""]
[3569,null,"5155-53-3",{"$nulls":7},""]
[3570,null,"5155-54-4",{"$nulls":7},""]
[3571,"COc1cc(ccc1C(O)=O)C(O)=O","5156-00-3","COc1cc(C(=O)O)ccc1C(=O)O","COc1c(ccc(c1)C(=O)O)C(=O)O",{"$nulls":4},196.037173356,"?"]
[3572,"CCCCC(N)C(O)=O","5157-09-5","CCCCC(N)C(=O)O","CCCCC(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[3573,"BrCCC=C","5162-44-7","C=CCCBr","C=CCCBr",{"$nulls":4},133.973112324,"?"]
[3574,"CC(=O)Nc1ccc(Cl)cc1C","5202-86-8","CC(=O)Nc1ccc(Cl)cc1C","CC(=O)Nc1c(cc(cc1)Cl)C",{"$nulls":4},183.04509162,"?"]
[3575,"CCCCC1=C(C)NC(=NC1=O)N(C)C","5221-53-4","CCCCc1c(C)[nH]c(N(C)C)nc1=O","CCCCc1c(nc([nH]c1C)N(C)C)=O",{"$nulls":4},209.152812228,"?"]
[3576,"CN1C2CCC1CC(C2)OC(=O)C(CO[S](O)(=O)=O)c3ccccc3","5226-98-2","CN1C2CCC1CC(OC(=O)C(COS(=O)(=O)O)c1ccccc1)C2","CN1C2CCC1CC(C2)OC(=O)C(COS(=O)(=O)O)c3ccccc3",{"$nulls":4},369.1246084560006,"?"]
[3577,"CC1=C(SCCO1)C(=O)Nc2ccccc2","5234-68-4","CC1=C(C(=O)Nc2ccccc2)SCCO1","CC=1OCCSC1C(=O)Nc2ccccc2",{"$nulls":4},235.066699656,"?"]
[3578,"CC1=C(C(=O)Nc2ccccc2)[S](=O)(=O)CCO1","5259-88-1","CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1","CC=1OCCS(C1C(=O)Nc2ccccc2)(=O)=O",{"$nulls":4},267.0565288960003,"?"]
[3579,null,"5270-62-2",{"$nulls":7},""]
[3580,"OC(=O)CC1CCCCC1","5292-21-7","O=C(O)CC1CCCCC1","O=C(O)CC1CCCCC1",{"$nulls":4},142.099379688,"?"]
[3581,"CCCCCCCCCCCCCCCCNC(=O)C(C)O","5323-53-5","CCCCCCCCCCCCCCCCNC(=O)C(C)O","CCCCCCCCCCCCCCCCNC(=O)C(C)O",{"$nulls":4},313.29807948800106,"?"]
[3582,"CCCCCNC(=O)C(C)O","5323-54-6","CCCCCNC(=O)C(C)O","CCCCCNC(=O)C(C)O",{"$nulls":4},159.125928784,"?"]
[3583,"OCC1OCOC2C1OCOC2C(O)=O","5323-77-3","O=C(O)C1OCOC2C(CO)OCOC12","O=C(O)C1C2C(OCO1)C(CO)OCO2",{"$nulls":4},220.05830272400001,"?"]
[3584,"N[S](O)(=O)=O","5329-14-6","NS(=O)(=O)O","NS(=O)(=O)O",{"$nulls":4},96.983363956,"?"]
[3585,"OCC(O)C1OC(Oc2ccccc2)C(O)C(O)C1O","5329-55-5","OCC(O)C1OC(Oc2ccccc2)C(O)C(O)C1O","OCC(O)C1C(C(C(C(O1)Oc2ccccc2)O)O)O",{"$nulls":4},286.1052529160005,"?"]
[3586,"CCCCCN1C(=O)CCC1=O","5332-35-4","CCCCCN1C(=O)CCC1=O","CCCCCN1C(CCC1=O)=O",{"$nulls":4},169.11027872,"?"]
[3587,"O[P](O)(=O)c1cccc(c1)[N+]([O-])=O","5337-19-9","O=[N+]([O-])c1cccc(P(=O)(O)O)c1","O=[N+]([O-])c1cc(ccc1)P(=O)(O)O",{"$nulls":4},202.998358922,"?"]
[3588,"CCCCCCCCCCOC(=O)c1cccnc1","5338-17-0","CCCCCCCCCCOC(=O)c1cccnc1","CCCCCCCCCCOC(=O)c1cnccc1",{"$nulls":4},263.1885290400002,"?"]
[3589,"CC(C)CC(NC=O)C(O)=O","5338-45-4","CC(C)CC(NC=O)C(=O)O","CC(C)CC(NC=O)C(=O)O",{"$nulls":4},159.089543276,"?"]
[3590,"C[CH](O)[CH](C)O","5341-95-7","CC(O)C(C)O","CC(O)C(C)O",{"$nulls":4},90.06807956,"?"]
[3591,"C[S](=O)(=O)N[S](C)(=O)=O","5347-82-0","CS(=O)(=O)NS(C)(=O)=O","CS(=O)(=O)NS(C)(=O)=O",{"$nulls":4},172.981649704,"?"]
[3592,null,"5348-91-4",{"$nulls":7},""]
[3593,"CCCOC(=O)CCOC","5349-56-4","CCCOC(=O)CCOC","CCCOC(=O)CCOC",{"$nulls":4},146.094294308,"?"]
[3594,"COC(OC)C=CC(OC)OC","5370-08-1","COC(C=CC(OC)OC)OC","COC(C=CC(OC)OC)OC",{"$nulls":4},176.104858992,"?"]
[3595,null,"5370-57-0",{"$nulls":7},""]
[3596,"CC(C)=CCCC(C)=CC=O","5392-40-5","CC(C)=CCCC(C)=CC=O","CC(C)=CCCC(C)=CC=O",{"$nulls":4},152.120115132,"?"]
[3597,"CC1(C)C(CCC1(C)C(O)=O)C(O)=O","5394-83-2","CC1(C(=O)O)CCC(C(=O)O)C1(C)C","CC1(C(C(CC1)C(=O)O)(C)C)C(=O)O",{"$nulls":4},200.104858992,"?"]
[3598,"NN[P](=S)(NN)c1ccccc1","5395-21-1","NNP(=S)(NN)c1ccccc1","NNP(=S)(NN)c1ccccc1",{"$nulls":4},202.04420398199997,"?"]
[3599,"CC(C)c1nc(N)nc(N)n1","5397-04-6","CC(C)c1nc(N)nc(N)n1","CC(C)c1nc(nc(n1)N)N",{"$nulls":4},153.10144535199998,"?"]
[3600,"Nc1ccc(cc1)[S](=O)(=O)c2ccc(N)cn2","5401-26-3","Nc1ccc(S(=O)(=O)c2ccc(N)cn2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ncc(cc2)N",{"$nulls":4},249.057197592,"?"]
[3601,"Cc1cc(C)cc(OCC(O)=O)c1","5406-14-4","Cc1cc(C)cc(OCC(=O)O)c1","Cc1cc(cc(c1)C)OCC(=O)O",{"$nulls":4},180.078644244,"?"]
[3602,"Clc1ccc2oc3ccc(Cl)cc3c2c1","5409-83-6","Clc1ccc2oc3ccc(Cl)cc3c2c1","Clc1cc2c(cc1)oc3c2cc(cc3)Cl",{"$nulls":4},235.979570172,"?"]
[3603,"CN1C(=O)N(C)C2=C(N(C)C(=O)N2)C1=O","5415-44-1","Cn1c(=O)c2c([nH]c(=O)n2C)n(C)c1=O","Cn1c(n(c2c(c1=O)n(c([nH]2)=O)C)C)=O",{"$nulls":4},210.07529018,"?"]
[3604,"CCCCCCNC(=O)C(C)O","5422-39-9","CCCCCCNC(=O)C(C)O","CCCCCCNC(=O)C(C)O",{"$nulls":4},173.141578848,"?"]
[3605,"CCCCOC(=O)C(C)OC(C)=O","5422-69-5","CCCCOC(=O)C(C)OC(C)=O","CCCCOC(=O)C(C)OC(C)=O",{"$nulls":4},188.104858992,"?"]
[3606,"CCc1nc2N(C)C(=O)N(C)C(=O)c2n1C","5426-50-6","CCc1nc2c(c(=O)n(C)c(=O)n2C)n1C","CCc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",{"$nulls":4},222.111675688,"?"]
[3607,"NC(N)=NC(N)=Nc1ccc2ccccc2c1","5426-97-1","NC(N)=NC(N)=Nc1ccc2ccccc2c1","NC(N)=NC(N)=Nc1cc2c(cc1)cccc2",{"$nulls":4},227.11709541599998,"?"]
[3608,"OC(=O)CC1NC(=O)NC1=O","5427-26-9","O=C(O)CC1NC(=O)NC1=O","O=C(O)CC1C(NC(N1)=O)=O",{"$nulls":4},158.032756672,"?"]
[3609,"Cc1ccc(cc1O)[N+]([O-])=O","5428-54-6","Cc1ccc([N+](=O)[O-])cc1O","Cc1c(cc(cc1)[N+](=O)[O-])O",{"$nulls":4},153.042593084,"?"]
[3610,"NC(=O)SCC(=O)Nc1ccccc1","5428-95-5","NC(=O)SCC(=O)Nc1ccccc1","NC(=O)SCC(=O)Nc1ccccc1",{"$nulls":4},210.04629856,"?"]
[3611,"Cc1ccc(N[S](=O)(=O)c2ccc(N)cc2)nn1","5433-63-6","Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1","Cc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},264.06809662400025,"?"]
[3612,"CCOC(=O)C(CC(O)=O)=C(c1ccccc1)c2ccccc2","5438-22-2","CCOC(=O)C(CC(=O)O)=C(c1ccccc1)c1ccccc1","CCOC(=O)C(CC(=O)O)=C(c1ccccc1)c2ccccc2",{"$nulls":4},310.1205090560005,"?"]
[3613,null,"5445-04-5",{"$nulls":7},""]
[3614,"COc1cc(CC(O)=O)ccc1OC(C)=O","5447-38-1","COc1cc(CC(=O)O)ccc1OC(C)=O","COc1c(ccc(c1)CC(=O)O)OC(C)=O",{"$nulls":4},224.068473484,"?"]
[3615,"Cn1cnc2nc(Cl)nc(NN)c12","5453-13-4","Cn1cnc2nc(Cl)nc(NN)c21","Cn1c2c(nc1)nc(Cl)nc2NN",{"$nulls":4},198.04207190399998,"?"]
[3616,"CCOC(=O)C1=C(C)OC(=C(C(=O)OCC)C1=O)C","5456-14-4","CCOC(=O)c1c(C)oc(C)c(C(=O)OCC)c1=O","CCOC(=O)c1c(c(c(oc1C)C)C(=O)OCC)=O",{"$nulls":4},268.09468823200035,"?"]
[3617,"Nc1cc(ccc1I)[N+]([O-])=O","5459-50-7","Nc1cc([N+](=O)[O-])ccc1I","Nc1c(ccc(c1)[N+](=O)[O-])I",{"$nulls":4},263.93957540000014,"?"]
[3618,"CC(OC(C)C(N)=O)C(N)=O","5460-66-2","CC(OC(C)C(N)=O)C(N)=O","CC(OC(C)C(N)=O)C(N)=O",{"$nulls":4},160.084792244,"?"]
[3619,null,"5464-31-3",{"$nulls":7},""]
[3620,null,"5464-34-6",{"$nulls":7},""]
[3621,"OC(=O)CCC(N(CCC#N)CCC#N)C(O)=O","5464-39-1","N#CCCN(CCC#N)C(CCC(=O)O)C(=O)O","N#CCCN(CCC#N)C(CCC(=O)O)C(=O)O",{"$nulls":4},253.10625596,"?"]
[3622,null,"5464-40-4",{"$nulls":7},""]
[3623,"CCCCCCCCOC(=O)C(C)O","5464-71-1","CCCCCCCCOC(=O)C(C)O","CCCCCCCCOC(=O)C(C)O",{"$nulls":4},202.156894564,"?"]
[3624,"CCCc1ccnc(N[S](=O)(=O)c2ccc(N)cc2)n1","5466-36-4","CCCc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","CCCc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},292.0993967520005,"?"]
[3625,"O=C1COc2ccccc2N1","5466-88-6","O=C1COc2ccccc2N1","O=C1Nc2c(OC1)cccc2",{"$nulls":4},149.047678464,"?"]
[3626,null,"5469-23-8",{"$nulls":7},""]
[3627,"CCCC(=CC(O)=O)C(O)=O","5469-28-3","CCCC(=CC(=O)O)C(=O)O","CCCC(=CC(=O)O)C(=O)O",{"$nulls":4},158.0579088,"?"]
[3628,"CCOC(=O)N1CCN(CC1)C(=O)OCC","5470-28-0","CCOC(=O)N1CCN(C(=O)OCC)CC1","CCOC(=O)N1CCN(CC1)C(=O)OCC",{"$nulls":4},230.126657056,"?"]
[3629,"CC[CH](C)c1cccc([CH](C)CC)c1O","5510-99-6","CCC(C)c1cccc(C(C)CC)c1O","CCC(C)c1c(c(ccc1)C(C)CC)O",{"$nulls":4},206.167065324,"?"]
[3630,"[O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34","5522-43-0","O=[N+]([O-])c1ccc2ccc3cccc4ccc1c2c34","O=[N+]([O-])c1c2ccc3cccc4ccc(cc1)c2c43",{"$nulls":4},247.063328528,"?"]
[3631,"CCN(N=Cc1oc(cc1)[N+]([O-])=O)C(N)=O","5579-89-5","CCN(N=Cc1ccc([N+](=O)[O-])o1)C(N)=O","CCN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O",{"$nulls":4},226.0702048,"?"]
[3632,"OC(=O)CCCCCc1ccccc1","5581-75-9","O=C(O)CCCCCc1ccccc1","O=C(O)CCCCCc1ccccc1",{"$nulls":4},192.115029752,"?"]
[3633,"CCCCC(C)(O)CC","5582-82-1","CCCCC(C)(O)CC","CCCCC(C)(O)CC",{"$nulls":4},130.135765196,"?"]
[3634,"CC1=C(CCC1(C)C)C(O)=O","5587-63-3","CC1=C(C(=O)O)CCC1(C)C","CC=1C(CCC1C(=O)O)(C)C",{"$nulls":4},154.099379688,"?"]
[3635,"CO[P](=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl","5598-13-0","COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl","COP(=S)(OC)Oc1c(cc(c(n1)Cl)Cl)Cl",{"$nulls":4},320.8949837540002,"?"]
[3636,"CC(C)(C)CC(=O)OCC(=O)[C]12OC(C)(C)O[CH]1C[CH]3[CH]4CCC5=CC(=O)C=C[C]5(C)[C]4(F)[CH](O)C[C]23C","5611-51-8","CC(C)(C)CC(=O)OCC(=O)C12OC(C)(C)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C","CC(C)(C)CC(=O)OCC(=O)C12C(OC(O1)(C)C)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C",{"$nulls":4},532.2836318720011,"?"]
[3637,"CCOC1CC1","5614-38-0","CCOC1CC1","CCOC1CC1",{"$nulls":4},86.07316494,"?"]
[3638,null,"5614-52-8",{"$nulls":7},""]
[3639,null,"5614-53-9",{"$nulls":7},""]
[3640,"Cn1cnc2N(C)C(=O)N(CC([O-])=O)C(=O)c12","5614-56-2","Cn1cnc2c1c(=O)n(CC(=O)[O-])c(=O)n2C","Cn1c2c(nc1)n(c(n(c2=O)CC(=O)O)=O)C",{"$nulls":4},237.062379768,"Structure has been neutralized"]
[3641,"C[CH]1NC(=O)[CH](C)NC1=O","5625-46-7","CC1NC(=O)C(C)NC1=O","CC1C(NC(C(N1)=O)C)=O",{"$nulls":4},142.07422756,"?"]
[3642,null,"5625-49-0",{"$nulls":7},""]
[3643,null,"5626-54-0",{"$nulls":7},""]
[3644,null,"5633-55-6",{"$nulls":7},""]
[3645,"CC(c1ccccn1)C2=C(CCN(C)C)Cc3ccccc23","5636-83-9","CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1","CC(C=1c2c(CC1CCN(C)C)cccc2)c3ncccc3",{"$nulls":4},292.19394876800067,"?"]
[3646,null,"5648-29-3",{"$nulls":7},""]
[3647,null,"5651-01-4",{"$nulls":7},""]
[3648,"O=C1OCc2ccc3ccccc3c12","5657-01-2","O=C1OCc2ccc3ccccc3c21","O=C1c2c(CO1)ccc3c2cccc3",{"$nulls":4},184.052429496,"?"]
[3649,"OC(=O)CNC(=O)c1occc1","5657-19-2","O=C(O)CNC(=O)c1ccco1","O=C(O)CNC(=O)c1occc1",{"$nulls":4},169.037507704,"?"]
[3650,"Clc1ccccc1c2nnn(CC(=O)NN=Cc3cc(I)cc(I)c3OCC#C)n2","5657-20-5","C#CCOc1c(I)cc(I)cc1C=NNC(=O)Cn1nnc(-c2ccccc2Cl)n1","C#CCOc1c(cc(cc1I)I)C=NNC(=O)Cn2nc(nn2)-c3c(cccc3)Cl",{"$nulls":4},645.8877973360003,"?"]
[3651,"CCCC1OCC(C)(CO1)[N+]([O-])=O","5663-15-0","CCCC1OCC(C)([N+](=O)[O-])CO1","CCCC1OCC(CO1)(C)[N+](=O)[O-]",{"$nulls":4},189.10010796,"?"]
[3652,"Nc1ccc(cc1)[S](=O)(=O)Nc2sc(cn2)C(O)=O","5664-51-7","Nc1ccc(S(=O)(=O)Nc2ncc(C(=O)O)s2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2sc(cn2)C(=O)O",{"$nulls":4},299.0034477680002,"?"]
[3653,null,"5666-23-9",{"$nulls":7},""]
[3654,"CCC(CC)(CC(O)=O)C(O)=O","5692-97-7","CCC(CC)(CC(=O)O)C(=O)O","CCC(CC)(CC(=O)O)C(=O)O",{"$nulls":4},174.089208928,"?"]
[3655,null,"5695-95-4",{"$nulls":7},""]
[3656,"CC(=O)CC(=O)C(O)=O","5699-58-1","CC(=O)CC(=O)C(=O)O","CC(=O)CC(=O)C(=O)O",{"$nulls":4},130.026608672,"?"]
[3657,null,"5707-59-5",{"$nulls":7},""]
[3658,null,"5739-18-4",{"$nulls":7},""]
[3659,"CN(O)N=Nc1ccccc1","5756-69-4","CN(O)N=Nc1ccccc1","CN(O)N=Nc1ccccc1",{"$nulls":4},151.074561908,"?"]
[3660,"OC(=O)c1ccc(NC(=O)c2cccnc2)cc1","5768-40-1","O=C(O)c1ccc(NC(=O)c2cccnc2)cc1","O=C(O)c1ccc(cc1)NC(=O)c2cnccc2",{"$nulls":4},242.06914218,"?"]
[3661,null,"5769-37-9",{"$nulls":7},""]
[3662,"CCOC(OCC)C(C)=O","5774-26-5","CCOC(OCC)C(C)=O","CCOC(OCC)C(C)=O",{"$nulls":4},146.094294308,"?"]
[3663,"NC(Cc1ccc(O)c(O)c1)C(O)=O","5796-17-8","NC(Cc1ccc(O)c(O)c1)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O",{"$nulls":4},197.068807832,"?"]
[3664,"CC(SC(C)C(O)=O)C(O)=O","5811-50-7","CC(SC(C)C(=O)O)C(=O)O","CC(SC(C)C(=O)O)C(=O)O",{"$nulls":4},178.0299798,"?"]
[3665,"Cn1cnc2N(C)C(=O)N(CCC(O)=O)C(=O)c12","5815-65-6","Cn1cnc2c1c(=O)n(CCC(=O)O)c(=O)n2C","Cn1c2c(nc1)n(c(n(c2=O)CCC(=O)O)=O)C",{"$nulls":4},252.085854864,"?"]
[3666,"ClCC[S](=O)CCCl","5819-08-9","O=S(CCCl)CCCl","O=S(CCCl)CCCl",{"$nulls":4},173.967291236,"?"]
[3667,"COC(=O)C1C2CC(C=C2)C1C(=O)OC","5826-73-3","COC(=O)C1C2C=CC(C2)C1C(=O)OC","COC(=O)C1C(C2C=CC1C2)C(=O)OC",{"$nulls":4},210.089208928,"?"]
[3668,"CC[S](=O)CS[P](=S)(OC(C)C)OC(C)C","5827-05-4","CCS(=O)CSP(=S)(OC(C)C)OC(C)C","CCS(=O)CSP(=S)(OC(C)C)OC(C)C",{"$nulls":4},304.03904416200055,"?"]
[3669,"O=C1CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCN1","5834-63-9","O=C1CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCN1","O=C1NCCCCCC(NCCCCCC(NCCCCCC(NCCCCC1)=O)=O)=O",{"$nulls":4},452.3362558880013,"?"]
[3670,"CCCOC(=O)CCC(=O)N(CC)CC","5834-84-4","CCCOC(=O)CCC(=O)N(CC)CC","CCCOC(=O)CCC(=O)N(CC)CC",{"$nulls":4},215.152143532,"?"]
[3671,"CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2","5836-10-2","CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1","CC(C)OC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl",{"$nulls":4},338.0476497320005,"?"]
[3672,"OC1=C(C2CCCc3ccccc23)C(=O)c4ccccc4O1","5836-29-3","O=c1c(C2CCCc3ccccc32)c(O)oc2ccccc12","O=c1c2c(oc(c1C3c4c(CCC3)cccc4)O)cccc2",{"$nulls":4},292.1099443720004,"?"]
[3673,"Oc1ccc(cc1Br)[N+]([O-])=O","5847-59-6","O=[N+]([O-])c1ccc(O)c(Br)c1","O=[N+]([O-])c1cc(c(cc1)O)Br",{"$nulls":4},216.937455088,"?"]
[3674,"CC(=O)OCCS","5862-40-8","CC(=O)OCCS","CC(=O)OCCS",{"$nulls":4},120.024500496,"?"]
[3675,"CCCCCCc1ccc(cc1)C(=O)Nc2ccc(N3CCCC3)c(c2)C(=O)NCCCOCC","5893-10-7","CCCCCCc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)NCCCOCC)c2)cc1","CCCCCCc1ccc(cc1)C(=O)Nc2cc(c(cc2)N3CCCC3)C(=O)NCCCOCC",{"$nulls":4},479.3147921720011,"?"]
[3676,"CC1=C(Cl)C(=O)N(C(=O)N1)C(C)(C)C","5902-51-2","Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Cl","Cc1c(c(n(c([nH]1)=O)C(C)(C)C)=O)Cl",{"$nulls":4},216.066555336,"?"]
[3677,"CCNc1nc(Cl)nc(NC(C)(C)C)n1","5915-41-3","CCNc1nc(Cl)nc(NC(C)(C)C)n1","CCNc1nc(nc(n1)Cl)NC(C)(C)C",{"$nulls":4},229.10942319199998,"?"]
[3678,"CO[P](=S)(OC)SS[P](=S)(OC)OC","5930-71-2","COP(=S)(OC)SSP(=S)(OC)OC","COP(=S)(OC)SSP(=S)(OC)OC",{"$nulls":4},313.9093661240003,"?"]
[3679,"CCCCCC(O)CCC","5932-79-6","CCCCCC(O)CCC","CCCCCC(O)CCC",{"$nulls":4},144.15141526,"?"]
[3680,null,"5934-39-4",{"$nulls":7},""]
[3681,"CCOC(=O)C1=COC(=O)C=C1","5942-96-1","CCOC(=O)c1ccc(=O)oc1","CCOC(=O)c1coc(cc1)=O",{"$nulls":4},168.042258736,"?"]
[3682,"O.OC(=O)CC(O)(CC(O)=O)C(O)=O","5949-29-1","O=C(O)CC(O)(CC(=O)O)C(=O)O","O=C(O)CC(O)(CC(=O)O)C(=O)O","O",{"$nulls":3},210.03756728000002,"?"]
[3683,"CCCc1nc(N)nc(N)n1","5962-23-2","CCCc1nc(N)nc(N)n1","CCCc1nc(nc(n1)N)N",{"$nulls":4},153.10144535199998,"?"]
[3684,null,"5962-25-4",{"$nulls":7},""]
[3685,"OC(=O)CC[P](O)(O)=O","5962-42-5","O=C(O)CCP(=O)(O)O","O=C(O)CCP(=O)(O)O",{"$nulls":4},154.003109954,"?"]
[3686,null,"5962-45-8",{"$nulls":7},""]
[3687,"OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O","5965-66-2","OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",{"$nulls":4},342.11621152400056,"?"]
[3688,"CC(=C)[CH]1CCC(=CC1)C","5989-27-5","C=C(C)C1CC=C(C)CC1","C=C(C)C1CCC(=CC1)C",{"$nulls":4},136.125200512,"?"]
[3689,"CCN(CC)CCSCCN(CC)CC","6006-58-2","CCN(CC)CCSCCN(CC)CC","CCN(CC)CCSCCN(CC)CC",{"$nulls":4},232.19731989599998,"?"]
[3690,"O.CN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35","6009-81-0","CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","O",{"$nulls":3},303.1470581520005,"?"]
[3691,"CCCC(C)O","6032-29-7","CCCC(C)O","CCCC(C)O",{"$nulls":4},88.088815004,"?"]
[3692,"COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5c(OC)c34","6035-40-1","COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC",{"$nulls":4},413.14745207600055,"?"]
[3693,null,"6049-47-4",{"$nulls":7},""]
[3694,"CCC(=O)NC(=O)CC","6050-26-6","CCC(=O)NC(=O)CC","CCC(=O)NC(=O)CC",{"$nulls":4},129.078978592,"?"]
[3695,"CC1CCc2c(C1)sc(NC(=O)c3cccnc3)c2C(=O)Nc4ccccc4","6050-42-6","CC1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)Nc2ccccc2)C1","CC1Cc2c(CC1)c(c(s2)NC(=O)c3cnccc3)C(=O)Nc4ccccc4",{"$nulls":4},391.1354479120006,"?"]
[3696,"CCN(c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","6052-13-7","CCN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-]","CCN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},301.0294621840002,"?"]
[3697,"Nc1ccc(cc1)C#Cc2ccc(N)cc2","6052-15-9","Nc1ccc(C#Cc2ccc(N)cc2)cc1","Nc1ccc(cc1)C#Cc2ccc(cc2)N",{"$nulls":4},208.100048384,"?"]
[3698,null,"6054-99-5",{"$nulls":7},""]
[3699,null,"6079-73-8",{"$nulls":7},""]
[3700,null,"6093-30-7",{"$nulls":7},""]
[3701,null,"6111-61-1",{"$nulls":7},""]
[3702,"CC=CCO","6117-91-5","CC=CCO","CC=CCO",{"$nulls":4},72.057514876,"?"]
[3703,"COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1.OP=O","6119-53-5","C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","OP=O",{"$nulls":3},388.15519391000066,"?"]
[3704,null,"6135-52-0",{"$nulls":7},""]
[3705,"Nc1ccc(cc1)[S](=O)(=O)Nc2sc3ccccc3n2","6138-01-8","Nc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2sc3c(n2)cccc3",{"$nulls":4},305.02926859200034,"?"]
[3706,null,"6142-53-6",{"$nulls":7},""]
[3707,"CNCl","6154-14-9","CNCl","CNCl",{"$nulls":4},65.003226808,"?"]
[3708,null,"6159-60-0",{"$nulls":7},""]
[3709,"CN(C)C=Nc1ccc(Cl)cc1C","6164-98-3","Cc1cc(Cl)ccc1N=CN(C)C","Cc1c(ccc(c1)Cl)N=CN(C)C",{"$nulls":4},196.076726096,"?"]
[3710,"CCCCCCC(C)O","6169-06-8","CCCCCCC(C)O","CCCCCCC(C)O",{"$nulls":4},130.135765196,"?"]
[3711,null,"6170-45-2",{"$nulls":7},""]
[3712,"CC(C)Nc1nc(N)nc(Cl)n1","6190-65-4","CC(C)Nc1nc(N)nc(Cl)n1","CC(C)Nc1nc(nc(n1)N)Cl",{"$nulls":4},187.06247299999998,"?"]
[3713,"CC(=O)OCCOc1ccccc1","6192-44-5","CC(=O)OCCOc1ccccc1","CC(=O)OCCOc1ccccc1",{"$nulls":4},180.078644244,"?"]
[3714,"CC(Cl)=CC(O)=O","6213-90-7","CC(Cl)=CC(=O)O","CC(Cl)=CC(=O)O",{"$nulls":4},119.99780708,"?"]
[3715,"CC(Cl)=CC(O)=O","6214-28-4","CC(Cl)=CC(=O)O","CC(Cl)=CC(=O)O",{"$nulls":4},119.99780708,"?"]
[3716,"OC(=O)C(S)CS","6220-25-3","O=C(O)C(S)CS","O=C(O)C(S)CS",{"$nulls":4},137.980921432,"?"]
[3717,"OC(=O)C[Se]CC(O)=O","6228-62-2","O=C(O)C[Se]CC(=O)O","O=C(O)C[Se]CC(=O)O",{"$nulls":4},197.943129972,"?"]
[3718,"ON=Cc1oc(cc1)[N+]([O-])=O","6236-05-1","O=[N+]([O-])c1ccc(C=NO)o1","O=[N+]([O-])c1oc(cc1)C=NO",{"$nulls":4},156.017106608,"?"]
[3719,null,"6245-33-6",{"$nulls":7},""]
[3720,"O=C1CCCCCN1C(=O)c2ccccc2","6248-28-8","O=C1CCCCCN1C(=O)c1ccccc1","O=C1N(CCCCC1)C(=O)c2ccccc2",{"$nulls":4},217.11027872,"?"]
[3721,"O=C1C=CC(C=C1)=NNc2ccc(N=Nc3ccccc3)c4ccccc24","6253-10-7","O=C1C=CC(=NNc2ccc(N=Nc3ccccc3)c3ccccc23)C=C1","O=C1C=CC(C=C1)=NNc2c3c(c(cc2)N=Nc4ccccc4)cccc3","C.I",{"$nulls":3},496.07600929200044,"?"]
[3722,"Oc1cc(cc(O)c1O)C(=O)Nc2ccccc2","6262-27-7","O=C(Nc1ccccc1)c1cc(O)c(O)c(O)c1","O=C(Nc1ccccc1)c2cc(c(c(c2)O)O)O",{"$nulls":4},245.068807832,"?"]
[3723,"CC1(C)C2CCC1(C)C(N)(C2)C(O)=O","6266-05-3","CC1(C)C2CCC1(C)C(N)(C(=O)O)C2","CC1(C2(CCC1CC2(N)C(=O)O)C)C",{"$nulls":4},197.141578848,"?"]
[3724,"[Br-].CC[NH2+]CC","6274-12-0","[Br-]","Br","CC[NH2+]CC",{"$nulls":3},153.015311484,"Structure has been neutralized"]
[3725,"Cc1ccc(cc1N)[S](N)(=O)=O","6274-28-8","Cc1ccc(S(N)(=O)=O)cc1N","Cc1c(cc(cc1)S(N)(=O)=O)N",{"$nulls":4},186.04629856,"?"]
[3726,"CCCCCCCCNC(=O)C(C)O","6280-23-5","CCCCCCCCNC(=O)C(C)O","CCCCCCCCNC(=O)C(C)O",{"$nulls":4},201.172878976,"?"]
[3727,"CCCCCCCCCCNC(=O)C(C)O","6280-24-6","CCCCCCCCCCNC(=O)C(C)O","CCCCCCCCCCNC(=O)C(C)O",{"$nulls":4},229.204179104,"?"]
[3728,"CC(O)C(=O)OC(C)C(=O)OCC=C","6283-80-3","C=CCOC(=O)C(C)OC(=O)C(C)O","C=CCOC(=O)C(C)OC(=O)C(C)O",{"$nulls":4},202.084123548,"?"]
[3729,"CNCC(O)C(O)C(O)C(O)CO","6284-40-8","CNCC(O)C(O)C(O)C(O)CO","CNCC(O)C(O)C(O)C(O)CO",{"$nulls":4},195.110672644,"?"]
[3730,"COC(=O)C(C)OC(C)=O","6284-75-9","COC(=O)C(C)OC(C)=O","COC(=O)C(C)OC(C)=O",{"$nulls":4},146.0579088,"?"]
[3731,"COC(=O)OC(C)C(=O)OC","6288-11-5","COC(=O)OC(C)C(=O)OC","COC(=O)OC(C)C(=O)OC",{"$nulls":4},162.05282342,"?"]
[3732,"OC(=O)CN(CCC#N)CCC#N","6295-23-4","N#CCCN(CCC#N)CC(=O)O","N#CCCN(CCC#N)CC(=O)O",{"$nulls":4},181.085126592,"?"]
[3733,"COc1cc2nccnc2c(N)c1OC","6295-30-3","COc1cc2nccnc2c(N)c1OC","COc1c(c(c2c(c1)nccn2)N)OC",{"$nulls":4},205.085126592,"?"]
[3734,"CN(C(N)=O)c1ccc(C)cc1","6305-07-3","Cc1ccc(N(C)C(N)=O)cc1","Cc1ccc(cc1)N(C)C(N)=O",{"$nulls":4},164.094963004,"?"]
[3735,"CC(C)CC(C)CO","6305-71-1","CC(C)CC(C)CO","CC(C)CC(C)CO",{"$nulls":4},116.120115132,"?"]
[3736,"NC(=O)c1ccc(cc1)[S](N)(=O)=O","6306-24-7","NC(=O)c1ccc(S(N)(=O)=O)cc1","NC(=O)c1ccc(cc1)S(N)(=O)=O",{"$nulls":4},200.025563116,"?"]
[3737,"CC1=CN(Cc2ccccc2)C(=O)NC1=O","6306-73-6","Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O","Cc1c([nH]c(n(c1)Cc2ccccc2)=O)=O",{"$nulls":4},216.089877624,"?"]
[3738,"Cc1[nH]cnc1[S](O)(=O)=O","6307-14-8","Cc1[nH]cnc1S(=O)(=O)O","Cc1c(nc[nH]1)S(=O)(=O)O",{"$nulls":4},162.009913052,"?"]
[3739,"Cc1ccc2NC(=O)C(=O)Nc2c1","6309-61-1","Cc1ccc2[nH]c(=O)c(=O)[nH]c2c1","Cc1cc2c(cc1)[nH]c(=O)c(=O)[nH]2",{"$nulls":4},176.058577496,"?"]
[3740,"OC(=O)c1ccc(Br)c(c1)[N+]([O-])=O","6319-40-0","O=C(O)c1ccc(Br)c([N+](=O)[O-])c1","O=C(O)c1cc(c(cc1)Br)[N+](=O)[O-]",{"$nulls":4},244.932369708,"?"]
[3741,"CN1c2ccccc2C(O)(c3ccccc3)c4ccccc14","6321-72-8","CN1c2ccccc2C(O)(c2ccccc2)c2ccccc21","CN1c2c(C(c3c1cccc3)(O)c4ccccc4)cccc2",{"$nulls":4},287.1310141640005,"?"]
[3742,"CC1(CCCC=C1C(O)=O)C(O)=O","6321-87-5","CC1(C(=O)O)CCCC=C1C(=O)O","CC1(C(=CCCC1)C(=O)O)C(=O)O",{"$nulls":4},184.073558864,"?"]
[3743,"CC(C)CC(NCCC#N)C(O)=O","6328-87-6","CC(C)CC(NCCC#N)C(=O)O","CC(C)CC(NCCC#N)C(=O)O",{"$nulls":4},184.121177752,"?"]
[3744,"OC(=O)CC(N(CCC#N)CCC#N)C(O)=O","6328-90-1","N#CCCN(CCC#N)C(CC(=O)O)C(=O)O","N#CCCN(CCC#N)C(CC(=O)O)C(=O)O",{"$nulls":4},239.090605896,"?"]
[3745,"CN(C)C(=O)c1ccccc1C(=O)N(C)C","6329-16-4","CN(C)C(=O)c1ccccc1C(=O)N(C)C","CN(C)C(=O)c1c(cccc1)C(=O)N(C)C",{"$nulls":4},220.121177752,"?"]
[3746,"Cc1ccc(CC(O)=O)c(C)c1","6331-04-0","Cc1ccc(CC(=O)O)c(C)c1","Cc1cc(c(cc1)CC(=O)O)C",{"$nulls":4},164.083729624,"?"]
[3747,"COc1cc(CC=C)ccc1OCC([O-])=O","6331-61-9","C=CCc1ccc(OCC(=O)[O-])c(OC)c1","C=CCc1cc(c(cc1)OCC(=O)O)OC",{"$nulls":4},221.081383896,"Structure has been neutralized"]
[3748,"CC=CC(=O)O[CH]1C[CH]2O[CH]3C=C(C)C(=O)C[C]3(C)[C]1(C)[C]24CO4","6379-69-7","CC=CC(=O)OC1CC2OC3C=C(C)C(=O)CC3(C)C1(C)C21CO1","CC=CC(=O)OC1C2(C3(C(OC(C1)C24OC4)C=C(C)C(=O)C3)C)C",{"$nulls":4},332.16237386800066,"?"]
[3749,"CCCCCOC(=O)C(C)O","6382-06-5","CCCCCOC(=O)C(C)O","CCCCCOC(=O)C(C)O",{"$nulls":4},160.109944372,"?"]
[3750,"OCc1cc(Cl)ccc1OCC(O)=O","6386-63-6","O=C(O)COc1ccc(Cl)cc1CO","O=C(O)COc1c(cc(cc1)Cl)CO",{"$nulls":4},216.018936448,"?"]
[3751,"CNC(=O)Oc1cc(C)c(N(CC=C)CC=C)c(C)c1","6392-46-7","C=CCN(CC=C)c1c(C)cc(OC(=O)NC)cc1C","C=CCN(CC=C)c1c(cc(cc1C)OC(=O)NC)C",{"$nulls":4},274.1681279440005,"?"]
[3752,null,"6409-48-9",{"$nulls":7},""]
[3753,"[K+].[K+].[K+].[K+].[K+].[K+].[O-][P]([O-])(=O)CN(C[P]([O-])([O-])=O)C[P]([O-])([O-])=O","6419-19-8","O=P([O-])([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O","[K+]","[K+]","[K+]","[K+]",526.7077807420002,"Structure has been neutralized","[K+]"]
[3754,"Clc1cccc(Oc2ccccc2)c1","6452-49-9","Clc1cccc(Oc2ccccc2)c1","Clc1cc(ccc1)Oc2ccccc2",{"$nulls":4},204.034192588,"?"]
[3755,null,"6465-14-1",{"$nulls":7},""]
[3756,null,"6477-73-2",{"$nulls":7},""]
[3757,null,"6477-90-3",{"$nulls":7},""]
[3758,"CC(=C)[CH]1CC=C(C)C(=O)C1","6485-40-1","C=C(C)C1CC=C(C)C(=O)C1","C=C(C)C1CC(C(=CC1)C)=O",{"$nulls":4},150.104465068,"?"]
[3759,"Oc1ccc(cc1C(=O)Nc2ccc(Cl)cc2)[N+]([O-])=O","6490-98-8","O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O","O=C(Nc1ccc(cc1)Cl)c2c(ccc(c2)[N+](=O)[O-])O",{"$nulls":4},292.0250844480002,"?"]
[3760,"Oc1c(cccc1[N+]([O-])=O)C(=O)Nc2ccc(Cl)cc2","6490-99-9","O=C(Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1O","O=C(Nc1ccc(cc1)Cl)c2c(c(ccc2)[N+](=O)[O-])O",{"$nulls":4},292.02508444800026,"?"]
[3761,null,"6491-36-7",{"$nulls":7},""]
[3762,"Cn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12","6493-05-6","CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O","CC(=O)CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",{"$nulls":4},278.1378904360005,"?"]
[3763,"CCCCCOC(=O)c1ccc(O)cc1","6521-29-5","CCCCCOC(=O)c1ccc(O)cc1","CCCCCOC(=O)c1ccc(cc1)O",{"$nulls":4},208.109944372,"?"]
[3764,"CC[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[C]2(O)C#C","6533-00-2","C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21CC","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)CC)O",{"$nulls":4},312.2089301360008,"?"]
[3765,"O=CCc1ccc2OCOc2c1","6543-34-6","O=CCc1ccc2c(c1)OCO2","O=CCc1cc2c(cc1)OCO2",{"$nulls":4},164.047344116,"?"]
[3766,"OC(=O)C1CC(=O)c2ccccc2C1","6566-40-1","O=C1CC(C(=O)O)Cc2ccccc21","O=C1c2c(CC(C1)C(=O)O)cccc2",{"$nulls":4},190.06299418,"?"]
[3767,"CCCC(N)C(O)=O","6600-40-4","CCCC(N)C(=O)O","CCCC(N)C(=O)O",{"$nulls":4},117.078978592,"?"]
[3768,"CCNc1nc(Cl)nc(NCC(=O)OCC)n1","6616-80-4","CCNc1nc(Cl)nc(NCC(=O)OCC)n1","CCNc1nc(nc(n1)Cl)NCC(=O)OCC",{"$nulls":4},259.0836023680001,"?"]
[3769,"NC(CO)C(=O)NC(CO)C(O)=O","6620-95-7","NC(CO)C(=O)NC(CO)C(=O)O","NC(CO)C(=O)NC(CO)C(=O)O",{"$nulls":4},192.074621484,"?"]
[3770,"CC(C)Oc1ccc(COc2ccc(CC(O)=O)cc2Cl)cc1","6622-23-7","CC(C)Oc1ccc(COc2ccc(CC(=O)O)cc2Cl)cc1","CC(C)Oc1ccc(cc1)COc2c(cc(cc2)CC(=O)O)Cl",{"$nulls":4},334.09718676800054,"?"]
[3771,"ONC1=C(CCC1)N=O","6635-29-6","O=NC1=C(NO)CCC1","O=NC=1CCCC1NO",{"$nulls":4},128.058577496,"?"]
[3772,"COc1ccc(C)cc1NC(=S)NN=Cc2cccc(c2)[N+]([O-])=O","6668-12-8","COc1ccc(C)cc1NC(=S)NN=Cc1cccc([N+](=O)[O-])c1","COc1c(cc(cc1)C)NC(=S)NN=Cc2cc(ccc2)[N+](=O)[O-]",{"$nulls":4},344.0943113720004,"?"]
[3773,"CC1CCC(=O)N1c2ccccc2","6724-71-6","CC1CCC(=O)N1c1ccccc1","CC1N(C(CC1)=O)c2ccccc2",{"$nulls":4},175.099714036,"?"]
[3774,"CC1CC(C)(C)CC(C1)(OOC(C)(C)C)OOC(C)(C)C","6731-36-8","CC1CC(C)(C)CC(OOC(C)(C)C)(OOC(C)(C)C)C1","CC1CC(CC(C1)(C)C)(OOC(C)(C)C)OOC(C)(C)C",{"$nulls":4},302.24570956800096,"?"]
[3775,"COC(=O)c1c(cccc1[N+]([O-])=O)C(O)=O","6744-85-0","COC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]","COC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",{"$nulls":4},225.027336944,"?"]
[3776,null,"6744-86-1",{"$nulls":7},""]
[3777,null,"6744-87-2",{"$nulls":7},""]
[3778,null,"6744-88-3",{"$nulls":7},""]
[3779,null,"6744-92-9",{"$nulls":7},""]
[3780,null,"6781-97-1",{"$nulls":7},""]
[3781,"CCC(C)OC","6795-87-5","CCC(C)OC","CCC(C)OC",{"$nulls":4},88.088815004,"?"]
[3782,null,"6806-76-4",{"$nulls":7},""]
[3783,"CN(C(N)=N[N+]([O-])=O)[N+]([O-])=O","6810-09-9","CN(C(N)=N[N+](=O)[O-])[N+](=O)[O-]","CN(C(N)=N[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},163.03415364,"?"]
[3784,"CC[CH](C)NC(N)=S","6814-99-9","CCC(C)NC(N)=S","CCC(C)NC(N)=S",{"$nulls":4},132.072119384,"?"]
[3785,null,"6828-46-2",{"$nulls":7},""]
[3786,null,"6828-47-3",{"$nulls":7},""]
[3787,"Clc1ccc(Oc2cccc(Cl)c2)cc1","6842-62-2","Clc1ccc(Oc2cccc(Cl)c2)cc1","Clc1ccc(cc1)Oc2cc(ccc2)Cl",{"$nulls":4},237.995220236,"?"]
[3788,"C[CH]1CCCC[CH]1C","6876-23-9","CC1CCCCC1C","CC1C(CCCC1)C",{"$nulls":4},112.12520051199999,"?"]
[3789,"NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O","6893-02-3","NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O","NC(Cc1cc(c(c(c1)I)Oc2cc(c(cc2)O)I)I)C(=O)O",{"$nulls":4},650.7900518640004,"?"]
[3790,"NC(CCC(O)=O)C(O)=O","6893-26-1","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",{"$nulls":4},147.053157768,"?"]
[3791,"N[CH](CO)C(O)=O","6898-95-9","NC(CO)C(=O)O","NC(CO)C(=O)O",{"$nulls":4},105.042593084,"?"]
[3792,"NC(CCC(O)=O)C(O)=O","6899-05-4","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",{"$nulls":4},147.053157768,"?"]
[3793,"Clc1ccc(Oc2ccccc2Cl)cc1","6903-65-7","Clc1ccc(Oc2ccccc2Cl)cc1","Clc1ccc(cc1)Oc2c(cccc2)Cl",{"$nulls":4},237.995220236,"?"]
[3794,"CC(=O)NC(NC(C)=O)c1ccccc1","6907-68-2","CC(=O)NC(NC(C)=O)c1ccccc1","CC(=O)NC(NC(C)=O)c1ccccc1",{"$nulls":4},206.105527688,"?"]
[3795,null,"6912-98-7",{"$nulls":7},""]
[3796,"OC(CC(O)=O)C(O)=O","6915-15-7","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O",{"$nulls":4},134.021523292,"?"]
[3797,"CNC(=O)C=C(C)O[P](=O)(OC)OC","6923-22-4","CNC(=O)C=C(C)OP(=O)(OC)OC","CNC(=O)C=C(C)OP(=O)(OC)OC",{"$nulls":4},223.060959178,"?"]
[3798,"COc1c(Cl)c(Cl)cc(Cl)c1Cl","6936-40-9","COc1c(Cl)c(Cl)cc(Cl)c1Cl","COc1c(c(cc(c1Cl)Cl)Cl)Cl",{"$nulls":4},243.901625468,"?"]
[3799,"NC(=O)NN=CC(O)C(O)C(O)C(O)CO","6936-69-2","NC(=O)NN=CC(O)C(O)C(O)C(O)CO","NC(=O)NN=CC(O)C(O)C(O)C(O)CO",{"$nulls":4},237.0960852,"?"]
[3800,"CCCCOC(=O)c1cccnc1","6938-06-3",null,null,"CCCCOC(=O)c1cccnc1",{"$nulls":3},636.8795355640002,"?"]
[3801,"CC(SC(C)C(N)=O)C(N)=O","6944-30-5","CC(SC(C)C(N)=O)C(N)=O","CC(SC(C)C(N)=O)C(N)=O",{"$nulls":4},176.061948624,"?"]
[3802,"OCCCOC(=O)c1ccccc1","6946-99-2","O=C(OCCCO)c1ccccc1","O=C(OCCCO)c1ccccc1",{"$nulls":4},180.078644244,"?"]
[3803,"CC(=O)CC(=O)OC1CCCCC1","6947-02-0","CC(=O)CC(=O)OC1CCCCC1","CC(=O)CC(=O)OC1CCCCC1",{"$nulls":4},184.109944372,"?"]
[3804,"CSc1ncnc2nccnc12","6966-78-5","CSc1ncnc2nccnc12","CSc1c2c(ncn1)nccn2",{"$nulls":4},178.031317192,"?"]
[3805,"CNC(=O)Oc1ccccc1C2OCCO2","6988-21-2","CNC(=O)Oc1ccccc1C1OCCO1","CNC(=O)Oc1c(cccc1)C2OCCO2",{"$nulls":4},223.084457896,"?"]
[3806,"CCC(C)C(N)C(O)=O","7004-09-3","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",{"$nulls":4},131.094628656,"?"]
[3807,"[H+].[Cl-].CN(C)C(C)(C)CO","7005-47-2","CN(C)C(C)(C)CO","CN(C)C(C)(C)CO","[Cl-]","[H+]",null,null,153.092041812,"?"]
[3808,"Clc1ccc(Oc2ccccc2)cc1","7005-72-3","Clc1ccc(Oc2ccccc2)cc1","Clc1ccc(cc1)Oc2ccccc2",{"$nulls":4},204.034192588,"?"]
[3809,"NC(CC(N)=O)C(O)=O","7006-34-0","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O",{"$nulls":4},132.053492116,"?"]
[3810,"Clc1ccc(cc1)c2ccc(Cl)cc2Cl","7012-37-5","Clc1ccc(-c2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(cc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[3811,null,"7029-96-1",{"$nulls":7},""]
[3812,"CCCCN(C)N=O","7068-83-9","CCCCN(C)N=O","CCCCN(C)N=O",{"$nulls":4},116.094963004,"?"]
[3813,"CC(C)c1ccccc1Br","7073-94-1","CC(C)c1ccccc1Br","CC(C)c1c(cccc1)Br",{"$nulls":4},198.004412452,"?"]
[3814,"CC(Oc1ccc(Cl)cc1C)C(O)=O","7085-19-0","Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",{"$nulls":4},214.039671892,"?"]
[3815,null,"7100-92-7",{"$nulls":7},""]
[3816,"Nc1ccc(cc1)[S](=O)(=O)c2ccc(Cl)cc2","7146-68-1","Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)Cl",{"$nulls":4},267.0120772400003,"?"]
[3817,"Cc1cc(O)c(cc1Cl)[N+]([O-])=O","7147-89-9","Cc1cc(O)c([N+](=O)[O-])cc1Cl","Cc1c(cc(c(c1)O)[N+](=O)[O-])Cl",{"$nulls":4},187.003620732,"?"]
[3818,"COc1cc(cc(Cl)n1)C(Cl)(Cl)Cl","7159-34-4","COc1cc(C(Cl)(Cl)Cl)cc(Cl)n1","COc1nc(cc(c1)C(Cl)(Cl)Cl)Cl",{"$nulls":4},258.9125245000001,"?"]
[3819,null,"7174-45-0",{"$nulls":7},""]
[3820,"[OH2-].[OH2-].[OH2-].[OH2-].[OH2-].[OH2-].[OH2-].[OH2-].[OH2-].[OH2-].[OH2-].[OH2-].[W+3].[W+4].[W+5]","7242-58-2","[W+3]","[W+3]","[W+4]","[W+5]","[OH2-]","[OH2-]",767.9795698080001,"Errors in neutralization","[OH2-]"]
[3821,"CCCCO[P](=O)(OC)OCCCC","7242-59-3","CCCCOP(=O)(OC)OCCCC","CCCCOP(=O)(OC)OCCCC",{"$nulls":4},224.117745782,"?"]
[3822,"OC(=O)c1cccc2ncccc12","7250-53-5","O=C(O)c1cccc2ncccc12","O=C(O)c1c2c(ccc1)nccc2",{"$nulls":4},173.047678464,"?"]
[3823,"OC(CCl)C(O)C(O)C(O)CCl","7251-85-6","OC(CCl)C(O)C(O)C(O)CCl","OC(CCl)C(O)C(O)C(O)CCl",{"$nulls":4},218.011264224,"?"]
[3824,"COC(=O)c1cc(Cl)cc(N)c1Cl","7286-84-2","COC(=O)c1cc(Cl)cc(N)c1Cl","COC(=O)c1c(c(cc(c1)Cl)N)Cl",{"$nulls":4},218.985383824,"?"]
[3825,"CSc1nc(NC(C)C)nc(NC(C)C)n1","7287-19-6","CSc1nc(NC(C)C)nc(NC(C)C)n1","CSc1nc(nc(n1)NC(C)C)NC(C)C",{"$nulls":4},241.13611660799998,"?"]
[3826,"CCCC(C)(C)C(=O)Nc1ccc(Cl)cc1","7287-36-7","CCCC(C)(C)C(=O)Nc1ccc(Cl)cc1","CCCC(C)(C)C(=O)Nc1ccc(cc1)Cl",{"$nulls":4},239.107691876,"?"]
[3827,null,"7288-32-6",{"$nulls":7},""]
[3828,"CCCO[P](=O)(OCCC)Oc1ccc(SC)cc1","7292-16-2","CCCOP(=O)(OCCC)Oc1ccc(SC)cc1","CCCOP(=O)(OCCC)Oc1ccc(cc1)SC",{"$nulls":4},304.0898167820006,"?"]
[3829,"CCC(C)(O)C(C)(C)C","7294-05-5","CCC(C)(O)C(C)(C)C","CCC(C)(O)C(C)(C)C",{"$nulls":4},130.135765196,"?"]
[3830,"CN(C)C(=O)CCC(=O)N(C)C","7334-51-2","CN(C)C(=O)CCC(=O)N(C)C","CN(C)C(=O)CCC(=O)N(C)C",{"$nulls":4},172.121177752,"?"]
[3831,null,"7345-19-9",{"$nulls":7},""]
[3832,null,"7352-07-0",{"$nulls":7},""]
[3833,"OC(=O)CC[Se][Se]CCC(O)=O","7370-58-3","O=C(O)CC[Se][Se]CCC(=O)O","O=C(O)CC[Se][Se]CCC(=O)O",{"$nulls":4},305.89095140000023,"?"]
[3834,"CC(C)NC1=NC(=O)N=C(NC(C)C)N1","7374-53-0","CC(C)Nc1nc(=O)nc(NC(C)C)[nH]1","CC(C)Nc1[nH]c(nc(n1)=O)NC(C)C",{"$nulls":4},211.14331016399998,"?"]
[3835,"OCN1CC(=O)N(CO)CC1=O","7383-56-4","O=C1CN(CO)C(=O)CN1CO","O=C1N(CC(N(C1)CO)=O)CO",{"$nulls":4},174.0640568,"?"]
[3836,"CC(C)C1C(=O)NC(=O)NC1=O","7391-69-7","CC(C)C1C(=O)NC(=O)NC1=O","CC(C)C1C(NC(NC1=O)=O)=O",{"$nulls":4},170.06914218,"?"]
[3837,"O[P](O)(=O)c1cccc2ccccc12","7402-93-9","O=P(O)(O)c1cccc2ccccc12","O=P(O)(O)c1c2c(ccc1)cccc2",{"$nulls":4},208.028930778,"?"]
[3838,"Oc1cccc2scnc12","7405-23-4","Oc1cccc2scnc12","Oc1c2c(ccc1)scn2",{"$nulls":4},151.00918478,"?"]
[3839,"O=[P](Oc1ccccc1)(Oc2ccccc2)N3CCOCC3","7412-25-1","O=P(Oc1ccccc1)(Oc1ccccc1)N1CCOCC1","O=P(Oc1ccccc1)(Oc2ccccc2)N3CCOCC3",{"$nulls":4},319.0973446860005,"?"]
[3840,"CN(N=O)C(C)=O","7417-67-6","CC(=O)N(C)N=O","CC(=O)N(C)N=O",{"$nulls":4},102.042927432,"?"]
[3841,"ClC1(Cl)C2(Cl)C3C(CC4C3C1(Cl)C5(Cl)C4C25Cl)C=O","7421-93-4","O=CC1CC2C3C1C1(Cl)C(Cl)(Cl)C3(Cl)C3(Cl)C2C13Cl","O=CC1C2C3C(C1)C4C5(C3(C(C2(C54Cl)Cl)(Cl)Cl)Cl)Cl",{"$nulls":4},377.8706309560002,"?"]
[3842,"O=[S]=O","7446-09-5","O=S=O","O=S=O",{"$nulls":4},63.961900240000006,"?"]
[3843,"CCNc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","7449-27-6","CCNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]","CCNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},256.044383976,"?"]
[3844,"CC(=O)Nc1cccc(c1)C(C)=O","7463-31-2","CC(=O)Nc1cccc(C(C)=O)c1","CC(=O)Nc1cc(ccc1)C(C)=O",{"$nulls":4},177.078978592,"?"]
[3845,"Nc1sc2cccc(O)c2n1","7471-03-6","Nc1nc2c(O)cccc2s1","Nc1sc2c(n1)c(O)ccc2",{"$nulls":4},166.020083812,"?"]
[3846,"CC1(CCOC1=O)C(O)=O","7473-09-8","CC1(C(=O)O)CCOC1=O","CC1(C(OCC1)=O)C(=O)O",{"$nulls":4},144.042258736,"?"]
[3847,"OC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1C(O)=O","7475-29-8","O=C(O)c1ccc2c(c1C(=O)O)C(=O)c1ccccc1C2=O","O=C(O)c1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)C(=O)O",{"$nulls":4},296.0320879760002,"?"]
[3848,"NC1=NC(=O)N(C=C1)[CH]2CC[CH](CO)O2","7481-89-2","Nc1ccn(C2CCC(CO)O2)c(=O)n1","Nc1nc(n(cc1)C2OC(CC2)CO)=O",{"$nulls":4},211.095691276,"?"]
[3849,"Cc1c2ccc3ccccc3c2cc4ccc(Cl)cc14","7496-10-8","Cc1c2cc(Cl)ccc2cc2c1ccc1ccccc12","Cc1c2c(cc3c1cc(Cl)cc3)c4c(cc2)cccc4",{"$nulls":4},276.07057809600036,"?"]
[3850,"COC1(C)COC(C)(CO1)OC","7504-90-7","COC1(C)COC(C)(OC)CO1","COC1(OCC(OC1)(C)OC)C",{"$nulls":4},176.104858992,"?"]
[3851,"COc1cc(C=CC)ccc1OCC([O-])=O","7510-46-5","CC=Cc1ccc(OCC(=O)[O-])c(OC)c1","CC=Cc1cc(c(cc1)OCC(=O)O)OC",{"$nulls":4},221.081383896,"Structure has been neutralized"]
[3852,null,"7517-39-7",{"$nulls":7},""]
[3853,null,"7518-64-1",{"$nulls":7},""]
[3854,null,"7520-67-4",{"$nulls":7},""]
[3855,null,"7525-08-8",{"$nulls":7},""]
[3856,"II","7553-56-2","II","II",{"$nulls":4},253.808946,"?"]
[3857,null,"7557-02-0",{"$nulls":7},""]
[3858,null,"7558-80-7",{"$nulls":7},""]
[3859,null,"7559-55-9",{"$nulls":7},""]
[3860,"NCC(O)c1ccccc1","7568-93-6","NCC(O)c1ccccc1","NCC(O)c1ccccc1",{"$nulls":4},137.084063972,"?"]
[3861,"CC(Cl)C(C)Cl","7581-97-7","CC(Cl)C(C)Cl","CC(Cl)C(C)Cl",{"$nulls":4},126.00030561599999,"?"]
[3862,null,"7630-14-0",{"$nulls":7},""]
[3863,"[H+].[F-]","7664-39-3","[F-]","F","[H+]",{"$nulls":3},20.006228252,"Structure has been neutralized"]
[3864,"O[S](O)(=O)=O","7664-93-9","O=S(=O)(O)O","O=S(=O)(O)O",{"$nulls":4},97.96737954400001,"?"]
[3865,null,"7668-23-7",{"$nulls":7},""]
[3866,"NC1=N[S](=O)(=O)c2ccccc12","7668-28-2","NC1=NS(=O)(=O)c2ccccc21","NC=1c2c(S(N1)(=O)=O)cccc2",{"$nulls":4},182.014998432,"?"]
[3867,"CCCOC(=O)c1cccnc1","7681-15-4",null,null,"CCCOC(=O)c1cccnc1",{"$nulls":3},622.8638855000003,"?"]
[3868,"Cn1c(COC(N)=O)ncc1[N+]([O-])=O","7681-76-7","Cn1c([N+](=O)[O-])cnc1COC(N)=O","Cn1c(ncc1[N+](=O)[O-])COC(N)=O",{"$nulls":4},200.054554736,"?"]
[3869,null,"7681-93-8",{"$nulls":7},""]
[3870,"CCCCC(NC(C)=O)C(O)=O","7682-16-8","CCCCC(NC(C)=O)C(=O)O","CCCCC(NC(C)=O)C(=O)O",{"$nulls":4},173.10519334,"?"]
[3871,"CC(C)=C[CH]1[CH](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C","7696-12-0","CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C","CC(C)=CC1C(C1C(=O)OCN2C(C3=C(C2=O)CCCC3)=O)(C)C",{"$nulls":4},331.1783582800007,"?"]
[3872,"CO[P](=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1","7700-17-6","COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1","COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1",{"$nulls":4},314.09192495800056,"?"]
[3873,null,"7720-42-5",{"$nulls":7},""]
[3874,"OO","7722-84-1","OO","OO",{"$nulls":4},34.005479304,"?"]
[3875,"[Na+].[Na+].[Na+].[Na+].[O-][P]([O-])(=O)O[P]([O-])([O-])=O","7722-88-5","O=P([O-])([O-])OP(=O)([O-])[O-]","O=P(O)(O)OP(=O)(O)O","[Na+]","[Na+]","[Na+]","[Na+]",265.87100272000004,"Structure has been neutralized"]
[3876,"[Br-]","7726-95-6","[Br-]","Br",{"$nulls":4},78.9183371,"Structure has been neutralized"]
[3877,"N#N","7727-37-9","N#N","[N-]=[NH2+]",{"$nulls":4},28.006148,"Structure has been neutralized"]
[3878,"[K+].[O-][I](=O)=O","7758-05-6","[O-][I+2]([O-])[O-]","[O-][I+2]([O-])[O-]","[K+]",{"$nulls":3},213.85292354,"Errors in neutralization"]
[3879,"O.O.O.O.O.[Cu++].[O-][S]([O-])(=O)=O","7758-99-8","O=S(=O)([O-])[O-]","O=S(=O)(O)O","[Cu+2]","O","O","O",248.9341504,"Structure has been neutralized","O"]
[3880,"CC1CCC(CC1=O)C(C)=C","7764-50-3","C=C(C)C1CCC(C)C(=O)C1","C=C(C)C1CC(C(CC1)C)=O",{"$nulls":4},152.120115132,"?"]
[3881,"O[As](O)(O)=O","7778-39-4","O=[As](O)(O)O","O=[As](O)(O)O",{"$nulls":4},141.924730076,"?"]
[3882,"O=O","7782-44-7","O=O","O=O",{"$nulls":4},31.98982924,"?"]
[3883,"ClCl","7782-50-5","ClCl","ClCl",{"$nulls":4},69.93770536,"?"]
[3884,"S","7783-06-4","S","S",{"$nulls":4},33.987721064,"?"]
[3885,"COC(=O)C=C(C)O[P](=O)(OC)OC","7786-34-7","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",{"$nulls":4},224.044974766,"?"]
[3886,"CCC(Cl)(Cl)Cl","7789-89-1","CCC(Cl)(Cl)Cl","CCC(Cl)(Cl)Cl",{"$nulls":4},145.9456832,"?"]
[3887,"CC1=CCC(CC1)C(C)(C)O","8000-41-7","CC1=CCC(C(C)(C)O)CC1","CC=1CCC(CC1)C(C)(C)O",{"$nulls":4},154.135765196,"?"]
[3888,"CCO[P](=O)(OCC)SCCSCC.CCO[P](=S)(OCC)OCCSCC","8000-97-3","CCOP(=O)(OCC)SCCSCC","CCOP(=O)(OCC)SCCSCC","CCOP(=S)(OCC)OCCSCC",{"$nulls":3},516.1026461960001,"?"]
[3889,"[Cl-].C[n+]1c2cc(N)ccc2cc3ccc(N)cc13.Nc4ccc5cc6ccc(N)cc6nc5c4","8048-52-0","C[n+]1c2cc(N)ccc2cc2ccc(N)cc21","C[n+]1c2c(cc3c1cc(N)cc3)ccc(N)c2","Nc1ccc2cc3ccc(N)cc3nc2c1","[Cl-]",null,null,468.18292248,"?"]
[3890,"CCCC(C)c1cccc(OC(=O)NC)c1.CCC(CC)c2cccc(OC(=O)NC)c2","8065-36-9","CCCC(C)c1cccc(OC(=O)NC)c1","CCCC(C)c1cc(ccc1)OC(=O)NC","CCC(CC)c1cccc(OC(=O)NC)c1",{"$nulls":3},442.283157696,"?"]
[3891,null,"9004-57-3",{"$nulls":7},""]
[3892,"CC1=CC(=O)NO1","10004-44-1","Cc1cc(=O)[nH]o1","Cc1o[nH]c(c1)=O",{"$nulls":4},99.0320284,"?"]
[3893,"CCCCCCCCOCCO","10020-43-6","CCCCCCCCOCCO","CCCCCCCCOCCO",{"$nulls":4},174.161979944,"?"]
[3894,null,"10021-64-4",{"$nulls":7},""]
[3895,"CCC(=O)OCCCCCOC(=O)CC","10025-09-9","CCC(=O)OCCCCCOC(=O)CC","CCC(=O)OCCCCCOC(=O)CC",{"$nulls":4},216.13615912,"?"]
[3896,"CCC(CC)COC(C)=O","10031-87-5","CCC(CC)COC(C)=O","CCC(CC)COC(C)=O",{"$nulls":4},144.115029752,"?"]
[3897,"CCCCCCCCCCCCN1CC(CC1=O)C(O)=O","10054-21-4","CCCCCCCCCCCCN1CC(C(=O)O)CC1=O","CCCCCCCCCCCCN1C(CC(C1)C(=O)O)=O",{"$nulls":4},297.2303938520009,"?"]
[3898,"ClCC=CCl","10061-01-5","ClC=CCCl","ClC=CCCl",{"$nulls":4},109.969005488,"?"]
[3899,"ClCC=CCl","10061-02-6","ClC=CCCl","ClC=CCCl",{"$nulls":4},109.969005488,"?"]
[3900,"CC(C)c1ccc(CCO)cc1","10099-57-7","CC(C)c1ccc(CCO)cc1","CC(C)c1ccc(cc1)CCO",{"$nulls":4},164.120115132,"?"]
[3901,"CCC(C)N1C(=O)c2ccccc2C1=O","10108-61-9","CCC(C)N1C(=O)c2ccccc2C1=O","CCC(C)N1C(c2c(C1=O)cccc2)=O",{"$nulls":4},203.094628656,"?"]
[3902,null,"10118-90-8",{"$nulls":7},""]
[3903,"CCCN(CCC)C(=O)CCC(=O)OCC","10143-31-4","CCCN(CCC)C(=O)CCC(=O)OCC","CCCN(CCC)C(=O)CCC(=O)OCC",{"$nulls":4},229.167793596,"?"]
[3904,null,"10180-00-4",{"$nulls":7},""]
[3905,null,"10186-26-2",{"$nulls":7},""]
[3906,"NC(=O)C(Br)(Br)C#N","10222-01-2","N#CC(Br)(Br)C(N)=O","N#CC(Br)(Br)C(N)=O",{"$nulls":4},239.853386884,"?"]
[3907,"COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)[S](=O)(=O)NC(=O)NC3CCCCC3","10238-21-8","COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3",{"$nulls":4},493.14381967600076,"?"]
[3908,"CO[P](N)(=O)SC","10265-92-6","COP(N)(=O)SC","COP(N)(=O)SC",{"$nulls":4},141.001336126,"?"]
[3909,"CC(C)(O)C(=O)OCCc1ccccc1","10290-01-4","CC(C)(O)C(=O)OCCc1ccccc1","CC(C)(O)C(=O)OCCc1ccccc1",{"$nulls":4},208.109944372,"?"]
[3910,"CCO[P](=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O","10311-84-9","CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O","CCOP(=S)(OCC)SC(CCl)N1C(c2c(C1=O)cccc2)=O",{"$nulls":4},393.0025143340004,"?"]
[3911,"CC(C)CN1CCOCC1","10315-98-7","CC(C)CN1CCOCC1","CC(C)CN1CCOCC1",{"$nulls":4},143.131014164,"?"]
[3912,null,"10346-50-6",{"$nulls":7},""]
[3913,null,"10349-01-6",{"$nulls":7},""]
[3914,"OC(=O)c1ccc2ncccc2c1","10349-57-2","O=C(O)c1ccc2ncccc2c1","O=C(O)c1cc2c(cc1)nccc2",{"$nulls":4},173.047678464,"?"]
[3915,"O=C(NC1CCCCC1)c2cccnc2","10354-56-0","O=C(NC1CCCCC1)c1cccnc1","O=C(NC1CCCCC1)c2cnccc2",{"$nulls":4},204.126263132,"?"]
[3916,null,"10373-81-6",{"$nulls":7},""]
[3917,"Nc1cc(ccc1Br)[N+]([O-])=O","10403-47-1","Nc1cc([N+](=O)[O-])ccc1Br","Nc1c(ccc(c1)[N+](=O)[O-])Br",{"$nulls":4},215.9534395,"?"]
[3918,null,"10408-17-0",{"$nulls":7},""]
[3919,"CCCCCCCCOCC(O)CO","10438-94-5","CCCCCCCCOCC(O)CO","CCCCCCCCOCC(O)CO",{"$nulls":4},204.172544628,"?"]
[3920,"CCOC(=O)CCCOc1ccc(Cl)cc1C","10443-70-6","CCOC(=O)CCCOc1ccc(Cl)cc1C","CCOC(=O)CCCOc1c(cc(cc1)Cl)C",{"$nulls":4},256.086622084,"?"]
[3921,"CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","10453-86-8","CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C",{"$nulls":4},338.1881946920007,"?"]
[3922,"OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3","10457-90-6","O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Br)c3ccc(cc3)F",{"$nulls":4},419.0896192960007,"?"]
[3923,null,"10460-33-0",{"$nulls":7},""]
[3924,"CCO[P](=O)(OC)OC","10463-05-5","CCOP(=O)(OC)OC","CCOP(=O)(OC)OC",{"$nulls":4},154.039495462,"?"]
[3925,"CC(=C)C(C)(C)O","10473-13-9","C=C(C)C(C)(C)O","C=C(C)C(C)(C)O",{"$nulls":4},100.088815004,"?"]
[3926,"CCO[P](=S)(OCC)SC[S](=O)C(C)(C)C","10548-10-4","CCOP(=S)(OCC)SCS(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)C(C)(C)C",{"$nulls":4},304.03904416200055,"?"]
[3927,"CC(C)OC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)OC(C)C","10552-74-6","CC(C)OC(=O)c1cc(C(=O)OC(C)C)cc([N+](=O)[O-])c1","CC(C)OC(=O)c1cc(cc(c1)C(=O)OC(C)C)[N+](=O)[O-]",{"$nulls":4},295.1055872640005,"?"]
[3928,null,"10571-73-0",{"$nulls":7},""]
[3929,"CCN(C)N=O","10595-95-6","CCN(C)N=O","CCN(C)N=O",{"$nulls":4},88.063662876,"?"]
[3930,"SC(=O)CCCCC(S)=O","10604-70-3","O=C(S)CCCCC(=O)S","O=C(S)CCCCC(=O)S",{"$nulls":4},178.01222156,"?"]
[3931,null,"11039-70-6",{"$nulls":7},""]
[3932,"Clc1ccc(c(Cl)c1Cl)c2ccc(Cl)c(Cl)c2Cl","11096-82-5","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[3933,"Clc1cccc(c1Cl)c2ccc(Cl)c(Cl)c2Cl","11097-69-1","Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[3934,null,"11104-28-2",{"$nulls":7},""]
[3935,null,"11141-16-5",{"$nulls":7},""]
[3936,"COC(=O)[C]1(O)OC[C]23[CH](C[CH](OC(C)=O)[C]4(CO[CH]([CH](O)[C](C)([CH]12)[C]56O[C]5(C)[CH]7C[CH]6O[CH]8OC=C[C]78O)[CH]34)C(=O)OC)OC(=O)C(C)=CC","11141-17-6","CC=C(C)C(=O)OC1CC(OC(C)=O)C2(C(=O)OC)COC3C2C12COC(O)(C(=O)OC)C2C(C)(C12OC1(C)C1CC2OC2OC=CC21O)C3O","CC=C(C)C(=O)OC1C23C4C(C(C1)OC(C)=O)(C(=O)OC)COC4C(C(C2C(OC3)(O)C(=O)OC)(C)C56C(O5)(C)C7C8(C(OC6C7)OC=C8)O)O",{"$nulls":4},720.2629353280013,"?"]
[3937,null,"11672-87-0",{"$nulls":7},""]
[3938,"Clc1cccc(Cl)c1Cl","12002-48-1","Clc1cccc(Cl)c1Cl","Clc1c(c(ccc1)Cl)Cl",{"$nulls":4},179.930033136,"?"]
[3939,"[Mn].C[c-]1cccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+]","12108-13-3","C[c-]1cccc1","CC1C=CC=C1","[Mn]","[C-]#[O+]","[C-]#[O+]","[C-]#[O+]",217.977564184,"Structure has been neutralized"]
[3940,"CCOc1cc(N=Nc2cc(cc(c2Br)[N+]([O-])=O)[N+]([O-])=O)c(NC(C)=O)cc1N(CCOC(C)=O)CCOC(C)=O","12239-34-8","CCOc1cc(N=Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Br)c(NC(C)=O)cc1N(CCOC(C)=O)CCOC(C)=O","CCOc1c(cc(c(c1)N=Nc2c(c(cc(c2)[N+](=O)[O-])[N+](=O)[O-])Br)NC(C)=O)N(CCOC(C)=O)CCOC(C)=O",{"$nulls":4},638.0972031640008,"?"]
[3941,"CNC(=O)Oc1cc(C)cc(C)c1C","12407-86-2","CNC(=O)Oc1cc(C)cc(C)c1C","CNC(=O)Oc1c(c(cc(c1)C)C)C",{"$nulls":4},193.11027872,"?"]
[3942,"Clc1cc(Cl)cc(c1)c2cc(Cl)cc(Cl)c2","12672-29-6","Clc1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[3943,"Clc1cccc(c1)c2cc(Cl)cc(Cl)c2","12674-11-2","Clc1cccc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(ccc1)-c2cc(cc(c2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[3944,"OC(=O)CC[Ge](=O)O[Ge](=O)CCC(O)=O","12758-40-6","O=C(O)CC[Ge](=O)O[Ge](=O)CCC(=O)O","O=C(O)CC[Ge](=O)O[Ge](=O)CCC(=O)O",{"$nulls":4},341.88500826000023,"?"]
[3945,"COc1ccc(cc1)C(O)(C2CC2)c3cncnc3","12771-68-5","COc1ccc(C(O)(c2cncnc2)C2CC2)cc1","COc1ccc(cc1)C(O)(c2cncnc2)C3CC3",{"$nulls":4},256.121177752,"?"]
[3946,"CC(C)OCC(O)COC(C)C","13021-54-0","CC(C)OCC(O)COC(C)C","CC(C)OCC(O)COC(C)C",{"$nulls":4},176.1412445,"?"]
[3947,null,"13021-58-4",{"$nulls":7},""]
[3948,null,"13027-07-1",{"$nulls":7},""]
[3949,"Clc1ccccc1c2ccccc2Cl","13029-08-8","Clc1ccccc1-c1ccccc1Cl","Clc1c(cccc1)-c2c(cccc2)Cl",{"$nulls":4},222.000305616,"?"]
[3950,"CCO[P](=S)(Oc1ccc(cc1)C#N)c2ccccc2","13067-93-1","CCOP(=S)(Oc1ccc(C#N)cc1)c1ccccc1","CCOP(=S)(Oc1ccc(cc1)C#N)c2ccccc2",{"$nulls":4},303.04828631800035,"?"]
[3951,"CCO[P](=S)(OCC)SCSC(C)(C)C","13071-79-9","CCOP(=S)(OCC)SCSC(C)(C)C","CCOP(=S)(OCC)SCSC(C)(C)C",{"$nulls":4},288.0441295420006,"?"]
[3952,"CCCCCOC(=O)c1ccc(N)cc1","13110-37-7","CCCCCOC(=O)c1ccc(N)cc1","CCCCCOC(=O)c1ccc(cc1)N",{"$nulls":4},207.125928784,"?"]
[3953,"CC(=O)c1ccc(O)c(c1)C([O-])=O","13110-96-8","CC(=O)c1ccc(O)c(C(=O)[O-])c1","CC(=O)c1cc(c(cc1)O)C(=O)O",{"$nulls":4},179.034433704,"Structure has been neutralized"]
[3954,"ClCC(Cl)(Cl)CCl","13116-53-5","ClCC(Cl)(Cl)CCl","ClCC(Cl)(Cl)CCl",{"$nulls":4},179.906710848,"?"]
[3955,"COC1[CH](O)C(CO[CH]2C(O)C[CH](O)OC2C)O[CH](O[CH]3CC[C]4(C)C5CC[C]6(C)[CH](CC[C]6(O)C5CC[C]4(O)C3)C7=CC(=O)OC7)C1O","13137-64-9","COC1C(O)C(COC2C(O)CC(O)OC2C)OC(OC2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C1O","COC1C(C(OC(C1O)COC2C(OC(CC2O)O)C)OC3CC4(C(CC3)(C)C5C(C6(C(CC5)(C)C(C=7COC(C7)=O)CC6)O)CC4)O)O",{"$nulls":4},696.3720918520016,"?"]
[3956,null,"13148-94-2",{"$nulls":7},""]
[3957,"CN(C)C(=O)c1ccc(cc1)C(=O)N(C)C","13158-31-1","CN(C)C(=O)c1ccc(C(=O)N(C)C)cc1","CN(C)C(=O)c1ccc(cc1)C(=O)N(C)C",{"$nulls":4},220.121177752,"?"]
[3958,"O=C(Nc1ccccn1)c2cccnc2","13160-07-1","O=C(Nc1ccccn1)c1cccnc1","O=C(Nc1ncccc1)c2cnccc2",{"$nulls":4},199.074561908,"?"]
[3959,"CCN(CC)C(=O)C(Cl)=C(C)O[P](=O)(OC)OC","13171-21-6","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC",{"$nulls":4},299.0689370180005,"?"]
[3960,"[O-][N+](=O)c1ccc(ONC=C2C=C(Br)C(=O)C(=C2)Br)c(c1)[N+]([O-])=O","13181-17-4","O=C1C(Br)=CC(=CNOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C=C1Br","O=C1C(=CC(C=C1Br)=CNOc2c(cc(cc2)[N+](=O)[O-])[N+](=O)[O-])Br",{"$nulls":4},458.8701591440002,"?"]
[3961,"Cn1cnc2N(C)C(=O)N(C)C(=S)c12","13182-58-6","Cn1c(=S)c2c(ncn2C)n(C)c1=O","Cn1c(n(c2c(c1=S)n(cn2)C)C)=O",{"$nulls":4},210.05753194,"?"]
[3962,"CCCS[P](=O)(OCC)SCCC","13194-48-4","CCCSP(=O)(OCC)SCCC","CCCSP(=O)(OCC)SCCC",{"$nulls":4},242.05640847799998,"?"]
[3963,"O=C1Nc2cncnc2N1","13230-97-2","O=c1[nH]c2cncnc2[nH]1","O=c1[nH]c2c([nH]1)cncn2",{"$nulls":4},136.038510748,"?"]
[3964,"CN(CC(O)=O)N=O","13256-22-9","CN(CC(=O)O)N=O","CN(CC(=O)O)N=O",{"$nulls":4},118.037842052,"?"]
[3965,null,"13261-53-5",{"$nulls":7},""]
[3966,"CCO[P](=O)(OCC)SCc1ccccc1","13286-32-3","CCOP(=O)(OCC)SCc1ccccc1","CCOP(=O)(OCC)SCc1ccccc1",{"$nulls":4},260.06360203400016,"?"]
[3967,null,"13292-46-1",{"$nulls":7},""]
[3968,"Nc1c(cc(Nc2ccc(c(Nc3nc(Cl)nc(Cl)n3)c2)[S](O)(=O)=O)c4C(=O)c5ccccc5C(=O)c14)[S](O)(=O)=O","13324-20-4","Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(Nc3nc(Cl)nc(Cl)n3)c2)c2c1C(=O)c1ccccc1C2=O","Nc1c2c(c(cc1S(=O)(=O)O)Nc3cc(c(cc3)S(=O)(=O)O)Nc4nc(nc(n4)Cl)Cl)C(c5c(C2=O)cccc5)=O",{"$nulls":4},635.9691587680004,"?"]
[3969,"OC(=O)CSC(C(O)=O)c1ccccc1","13330-93-3","O=C(O)CSC(C(=O)O)c1ccccc1","O=C(O)CSC(C(=O)O)c1ccccc1",{"$nulls":4},226.0299798,"?"]
[3970,"CON(C)C(=O)Nc1ccc(Br)c(Cl)c1","13360-45-7","CON(C)C(=O)Nc1ccc(Br)c(Cl)c1","CON(C)C(=O)Nc1cc(c(cc1)Br)Cl",{"$nulls":4},291.96141734000025,"?"]
[3971,"CCCCNCC","13360-63-9","CCCCNCC","CCCCNCC",{"$nulls":4},101.12044947999999,"?"]
[3972,"CN1C(=O)N(C)c2nccnc2C1=O","13401-18-8","Cn1c(=O)c2nccnc2n(C)c1=O","Cn1c(n(c2c(c1=O)nccn2)C)=O",{"$nulls":4},192.064725496,"?"]
[3973,"CC1(C)Cc2cccc(c2O1)[N+]([O-])=O","13414-55-6","CC1(C)Cc2cccc([N+](=O)[O-])c2O1","CC1(Oc2c(C1)cccc2[N+](=O)[O-])C",{"$nulls":4},193.073893212,"?"]
[3974,"CC1CCOC1","13423-15-9","CC1CCOC1","CC1COCC1",{"$nulls":4},86.07316494,"?"]
[3975,"CN1C(=O)N(C)c2ncn(CCOC(=O)c3cccnc3)c2C1=O","13425-39-3","Cn1c(=O)c2c(ncn2CCOC(=O)c2cccnc2)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)CCOC(=O)c3cnccc3)C)=O",{"$nulls":4},329.1124039600004,"?"]
[3976,"NC(=O)NC(=O)c1ccccc1C(O)=O","13435-16-0","NC(=O)NC(=O)c1ccccc1C(=O)O","NC(=O)NC(=O)c1c(cccc1)C(=O)O",{"$nulls":4},208.048406736,"?"]
[3977,null,"13443-68-0",{"$nulls":7},""]
[3978,"CC(=O)N[CH](CSc1ccc(Cl)c(Cl)c1)C(O)=O","13443-69-1","CC(=O)NC(CSc1ccc(Cl)c(Cl)c1)C(=O)O","CC(=O)NC(CSc1cc(c(cc1)Cl)Cl)C(=O)O",{"$nulls":4},306.9836695720003,"?"]
[3979,"CCOC(=O)c1cn2nc(O[P](=S)(OCC)OCC)cc2nc1C","13457-18-6","CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C","CCOC(=O)c1c(nc2n(c1)nc(OP(=S)(OCC)OCC)c2)C",{"$nulls":4},373.08612837000055,"?"]
[3980,"IC1=CNC(=O)C=C1","13472-79-2","O=c1ccc(I)c[nH]1","O=c1[nH]cc(cc1)I",{"$nulls":4},220.933761748,"?"]
[3981,null,"13476-55-6",{"$nulls":7},""]
[3982,null,"13493-97-5",{"$nulls":7},""]
[3983,"NC(N)=NCCCCCCCCNCCCCCCCCN=C(N)N","13516-27-3","NC(N)=NCCCCCCCCNCCCCCCCCN=C(N)N","NC(N)=NCCCCCCCCNCCCCCCCCN=C(N)N",{"$nulls":4},355.3423443120012,"?"]
[3984,"CCNc1nc(OC)nc(n1)N(CC)CC","13532-26-8","CCNc1nc(OC)nc(N(CC)CC)n1","CCNc1nc(nc(n1)OC)N(CC)CC",{"$nulls":4},225.15896022799998,"?"]
[3985,"CCCC1C(=O)N2N(C1=O)C(=Nc3ccc(C)cc23)N(C)C","13539-59-8","CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O","CCCC1C(N2N(C1=O)C(N(C)C)=Nc3c2cc(cc3)C)=O",{"$nulls":4},300.15862588000056,"?"]
[3986,"CCCCOC(=O)C(C)OC(=O)C(C)O","13544-80-4","CCCCOC(=O)C(C)OC(=O)C(C)O","CCCCOC(=O)C(C)OC(=O)C(C)O",{"$nulls":4},218.115423676,"?"]
[3987,"C[CH]([CH](C)C([O-])=O)C([O-])=O","13545-04-5","CC(C(=O)[O-])C(C)C(=O)[O-]","CC(C(=O)O)C(C)C(=O)O",{"$nulls":4},144.042258736,"Structure has been neutralized"]
[3988,"NC(=O)NCNC(N)=O","13547-17-6","NC(=O)NCNC(N)=O","NC(=O)NCNC(N)=O",{"$nulls":4},132.064725496,"?"]
[3989,"CCC(O)CN","13552-21-1","CCC(O)CN","CCC(O)CN",{"$nulls":4},89.084063972,"?"]
[3990,"ClC1=C(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C2(Cl)Cl)C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl","13560-89-9","ClC1=C(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C2(Cl)Cl)C1(Cl)C(Cl)=C(Cl)C4(Cl)C1(Cl)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)CCC4C5(C(=C(C(C4CC3)(C5(Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},647.7201325440005,"?"]
[3991,"CCO[P](=S)(OCC)Oc1cnc2ccccc2n1","13593-03-8","CCOP(=S)(OCC)Oc1cnc2ccccc2n1","CCOP(=S)(OCC)Oc1nc2c(nc1)cccc2",{"$nulls":4},298.05409997000044,"?"]
[3992,"OC(=O)c1cc[n+]([O-])cc1","13602-12-5",null,null,"OC(=O)c1cc[n+]([O-])cc1",{"$nulls":3},770.6754835160002,"?"]
[3993,"CCCC1CCCNC1","13603-14-0","CCCC1CCCNC1","CCCC1CNCCC1",{"$nulls":4},127.13609954399999,"?"]
[3994,"CC(CCl)O[P](=O)(OC(C)CCl)OC(C)CCl","13674-84-5","CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl","CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl",{"$nulls":4},326.0008287260005,"?"]
[3995,"ClCC(CCl)O[P](=O)(OC(CCl)CCl)OC(CCl)CCl","13674-87-8","O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl","O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl",{"$nulls":4},427.8839116700004,"?"]
[3996,"CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1","13684-56-5","CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1","CCOC(=O)Nc1cc(ccc1)OC(=O)Nc2ccccc2",{"$nulls":4},300.11100699200045,"?"]
[3997,"COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1","13684-63-4","COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1","COC(=O)Nc1cc(ccc1)OC(=O)Nc2cc(ccc2)C",{"$nulls":4},300.11100699200045,"?"]
[3998,"CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)C=CC4(C)C3CCC12C)C(C)=O","13698-49-2","CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)C=CC4(C)C3CCC21C","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)Cl)=CC(=O)C=C4)C)CC2)C)C(C)=O",{"$nulls":4},402.15978702400076,"?"]
[3999,"OC[CH](NC(=O)CN=[N+]=[N-])[CH](O)c1ccc(cc1)[N+]([O-])=O","13838-08-9","[N-]=[N+]=NCC(=O)NC(CO)C(O)c1ccc([N+](=O)[O-])cc1","[N-]=[N+]=NCC(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-]",{"$nulls":4},295.0916685160003,"?"]
[4000,"FC(F)OC(F)(F)C(F)Cl","13838-16-9","FC(F)OC(F)(F)C(F)Cl","FC(F)OC(F)(F)C(F)Cl",{"$nulls":4},183.971433464,"?"]
[4001,"CCC(C)N","13952-84-6","CCC(C)N","CCC(C)N",{"$nulls":4},73.08914935199999,"?"]
[4002,null,"13964-22-2",{"$nulls":7},""]
[4003,"OC(=O)C=CCBr","13991-36-1","O=C(O)C=CCBr","O=C(O)C=CCBr",{"$nulls":4},163.9472915,"?"]
[4004,"CN1c2ccccc2Sc3ccc(CC(O)=O)cc13","13993-65-2","CN1c2ccccc2Sc2ccc(CC(=O)O)cc21","CN1c2c(Sc3c1cccc3)ccc(CC(=O)O)c2",{"$nulls":4},271.06669965600037,"?"]
[4005,"CCCCOC(=O)C(O)c1ccccc1","14007-02-4","CCCCOC(=O)C(O)c1ccccc1","CCCCOC(=O)C(O)c1ccccc1",{"$nulls":4},208.109944372,"?"]
[4006,"CC=CCC1(CC=CC)C(=O)NC(=O)NC1=O","14010-10-7","CC=CCC1(CC=CC)C(=O)NC(=O)NC1=O","CC=CCC1(C(NC(NC1=O)=O)=O)CC=CC",{"$nulls":4},236.116092372,"?"]
[4007,"Cc1oc(cc1C([O-])=O)[CH](O)[CH](O)[CH](O)CO","14048-58-9","Cc1oc(C(O)C(O)C(O)CO)cc1C(=O)[O-]","Cc1c(cc(o1)C(O)C(O)C(O)CO)C(=O)O",{"$nulls":4},245.06612775600001,"Structure has been neutralized"]
[4008,"CC(C)[CH]1CC[CH](C)CC1=O","14073-97-3","CC1CCC(C(C)C)C(=O)C1","CC1CC(C(CC1)C(C)C)=O",{"$nulls":4},154.135765196,"?"]
[4009,null,"14131-04-5",{"$nulls":7},""]
[4010,null,"14144-33-3",{"$nulls":7},""]
[4011,"CCCCOC(=O)CCOCC","14144-35-5","CCCCOC(=O)CCOCC","CCCCOC(=O)CCOCC",{"$nulls":4},174.125594436,"?"]
[4012,"CCCCCOC(=O)CCOCC","14144-36-6","CCCCCOC(=O)CCOCC","CCCCCOC(=O)CCOCC",{"$nulls":4},188.1412445,"?"]
[4013,null,"14144-37-7",{"$nulls":7},""]
[4014,null,"14144-39-9",{"$nulls":7},""]
[4015,"CCCOCCC(=O)OCCC","14144-41-3","CCCOCCC(=O)OCCC","CCCOCCC(=O)OCCC",{"$nulls":4},174.125594436,"?"]
[4016,"CCCCOCCC(=O)OCCCC","14144-48-0","CCCCOCCC(=O)OCCCC","CCCCOCCC(=O)OCCCC",{"$nulls":4},202.156894564,"?"]
[4017,null,"14159-38-7",{"$nulls":7},""]
[4018,"C1COc2ccccc2OCCOCCOc3ccccc3OCCO1","14187-32-7","c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2","c1cc2c(cc1)OCCOCCOc3c(OCCOCCO2)cccc3",{"$nulls":4},360.15728848800063,"?"]
[4019,"CCCC(CC)(CC)CO","14202-62-1","CCCC(CC)(CC)CO","CCCC(CC)(CC)CO",{"$nulls":4},144.15141526,"?"]
[4020,"COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1","14214-32-5","COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1","COc1ccc(cc1)Oc2ccc(cc2)NC(=O)N(C)C",{"$nulls":4},286.13174243600054,"?"]
[4021,"CCO[P](=S)(OCC)Oc1ccc(cc1)[S](C)(=O)=O","14255-72-2","CCOP(=S)(OCC)Oc1ccc(S(C)(=O)=O)cc1","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)(=O)=O",{"$nulls":4},324.0255022740004,"?"]
[4022,"FC(F)(F)c1nc2cc(Cl)c(Cl)cc2n1C(=O)Oc3ccccc3","14255-88-0","O=C(Oc1ccccc1)n1c(C(F)(F)F)nc2cc(Cl)c(Cl)cc21","O=C(Oc1ccccc1)n2c3c(nc2C(F)(F)F)cc(Cl)c(Cl)c3",{"$nulls":4},373.98366748400014,"?"]
[4023,"Cc1cccc(C)c1NC(=O)c2cc(c(Cl)cc2O)[S](N)(=O)=O","14293-44-8","Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O","Cc1c(c(ccc1)C)NC(=O)c2c(cc(c(c2)S(N)(=O)=O)Cl)O",{"$nulls":4},354.0441056400004,"?"]
[4024,null,"14297-28-0",{"$nulls":7},""]
[4025,null,"14299-56-0",{"$nulls":7},""]
[4026,"CN1C(=O)C(C(=O)N(C)C1=O)[N+]([O-])=O","14305-99-8","CN1C(=O)C([N+](=O)[O-])C(=O)N(C)C1=O","CN1C(N(C(C(C1=O)[N+](=O)[O-])=O)C)=O",{"$nulls":4},201.038570324,"?"]
[4027,"CCCCCCCOC(=O)c1ccc(N)cc1","14309-40-1","CCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCOC(=O)c1ccc(cc1)N",{"$nulls":4},235.157228912,"?"]
[4028,"CCCCCCCCOC(=O)c1ccc(N)cc1","14309-41-2","CCCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCCOC(=O)c1ccc(cc1)N",{"$nulls":4},249.172878976,"?"]
[4029,null,"14334-36-2",{"$nulls":7},""]
[4030,"CCOC(=O)C(Cl)=NO","14337-43-0","CCOC(=O)C(Cl)=NO","CCOC(=O)C(Cl)=NO",{"$nulls":4},151.003620732,"?"]
[4031,null,"14362-48-2",{"$nulls":7},""]
[4032,"[Cl-].[NH3+]c1ccc2OC(=O)C=Cc2c1","14415-44-2","[NH3+]c1ccc2oc(=O)ccc2c1","Nc1cc2c(cc1)oc(=O)cc2","[Cl-]",{"$nulls":3},197.024356176,"Structure has been neutralized"]
[4033,"CCOC(=O)COc1ccc(Cl)cc1","14426-42-7","CCOC(=O)COc1ccc(Cl)cc1","CCOC(=O)COc1ccc(cc1)Cl",{"$nulls":4},214.039671892,"?"]
[4034,"COC(=O)C(Cl)Cc1ccc(Cl)cc1","14437-17-3","COC(=O)C(Cl)Cc1ccc(Cl)cc1","COC(=O)C(Cl)Cc1ccc(cc1)Cl",{"$nulls":4},232.00578492,"?"]
[4035,"Cc1cc(O)ccc1Br","14472-14-1","Cc1cc(O)ccc1Br","Cc1c(ccc(c1)O)Br",{"$nulls":4},185.968026944,"?"]
[4036,"O[S](=O)(=O)c1ccc2C(=O)c3c(cccc3[S](O)(=O)=O)C(=O)c2c1","14486-58-9","O=C1c2cc(S(=O)(=O)O)ccc2C(=O)c2c1cccc2S(=O)(=O)O","O=C1c2c(C(c3c1cc(S(=O)(=O)O)cc3)=O)c(ccc2)S(=O)(=O)O",{"$nulls":4},367.96605921600013,"?"]
[4037,"Cc1ccccc1Oc2cccnn2","14491-59-9","Cc1ccccc1Oc1cccnn1","Cc1c(cccc1)Oc2nnccc2",{"$nulls":4},186.07931294,"?"]
[4038,"CN1C(=O)NN(C1=O)c2ccccc2","14500-23-3","Cn1c(=O)[nH]n(-c2ccccc2)c1=O","Cn1c(n([nH]c1=O)-c2ccccc2)=O",{"$nulls":4},191.069476528,"?"]
[4039,"NC(=O)c1ccccc1OCC=C","14520-53-7","C=CCOc1ccccc1C(N)=O","C=CCOc1c(cccc1)C(N)=O",{"$nulls":4},177.078978592,"?"]
[4040,"CCCCC=CC","14686-13-6","CC=CCCCC","CC=CCCCC",{"$nulls":4},98.109550448,"?"]
[4041,"CCN1C=C(C(O)=O)C(=O)c2cc3OCOc3cc12","14698-29-4","CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3","CCn1c2c(c(c(c1)C(=O)O)=O)cc3OCOc3c2",{"$nulls":4},261.06372245200015,"?"]
[4042,null,"14746-25-9",{"$nulls":7},""]
[4043,"CC(C)C1NC(=O)CNC1=O","14771-77-8","CC(C)C1NC(=O)CNC1=O","CC(C)C1C(NCC(N1)=O)=O",{"$nulls":4},156.089877624,"?"]
[4044,"CCO[P](=S)(OCC)ON=C(C#N)c1ccccc1","14816-18-3","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1",{"$nulls":4},298.0540999700004,"?"]
[4045,"CCO[P](=S)(OCC)ON=C(C#N)c1ccccc1Cl","14816-20-7","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1Cl","CCOP(=S)(OCC)ON=C(C#N)c1c(cccc1)Cl",{"$nulls":4},332.01512761800035,"?"]
[4046,null,"14862-80-7",{"$nulls":7},""]
[4047,"CC(=O)C=CC1=C(C)CCCC1(C)C","14901-07-6","CC(=O)C=CC1=C(C)CCCC1(C)C","CC(=O)C=CC=1C(CCCC1C)(C)C",{"$nulls":4},192.15141526,"?"]
[4048,"CCCC(C)C(O)CC","14979-39-6","CCCC(C)C(O)CC","CCCC(C)C(O)CC",{"$nulls":4},130.135765196,"?"]
[4049,"O=C(CC#N)N1CCCCC1","15029-30-8","N#CCC(=O)N1CCCCC1","N#CCC(=O)N1CCCCC1",{"$nulls":4},152.094963004,"?"]
[4050,null,"15031-07-9",{"$nulls":7},""]
[4051,"Oc1ccccc1[S](=O)(=O)c2ccccc2O","15038-67-2","O=S(=O)(c1ccccc1O)c1ccccc1O","O=S(=O)(c1c(cccc1)O)c2c(cccc2)O",{"$nulls":4},250.0299798,"?"]
[4052,"[O-]C(=O)[CH](Cc1ccccc1)[NH2+]CCC#N","15095-74-6","N#CCC[NH2+]C(Cc1ccccc1)C(=O)[O-]","N#CCCNC(Cc1ccccc1)C(=O)O",{"$nulls":4},218.105527688,"Structure has been neutralized"]
[4053,"ClC(Cl)C(Cl)C(Cl)Cl","15104-61-7","ClC(Cl)C(Cl)C(Cl)Cl","ClC(Cl)C(Cl)C(Cl)Cl",{"$nulls":4},213.867738496,"?"]
[4054,"NC(Cc1cc(Cl)c(O)c(Cl)c1)C(O)=O","15106-62-4","NC(Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O",{"$nulls":4},248.995948508,"?"]
[4055,null,"15119-64-9",{"$nulls":7},""]
[4056,null,"15126-06-4",{"$nulls":7},""]
[4057,null,"15126-07-5",{"$nulls":7},""]
[4058,null,"15126-08-6",{"$nulls":7},""]
[4059,null,"15126-09-7",{"$nulls":7},""]
[4060,"C[CH](Oc1ccc(Cl)cc1Cl)C(O)=O","15165-67-0","CC(Oc1ccc(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O",{"$nulls":4},233.985049476,"?"]
[4061,"OCc1c(Cl)cccc1Cl","15258-73-8","OCc1c(Cl)cccc1Cl","OCc1c(cccc1Cl)Cl",{"$nulls":4},175.979570172,"?"]
[4062,"CNC(=O)ON=C1[CH](Cl)C2C[CH](C#N)C1C2","15271-41-7","CNC(=O)ON=C1C(Cl)C2CC(C#N)C1C2","CNC(=O)ON=C1C2C(CC(C1Cl)C2)C#N",{"$nulls":4},241.061804304,"?"]
[4063,"CCN(CC)C(=O)C(C)Oc1cccc2ccccc12","15299-99-7","CCN(CC)C(=O)C(C)Oc1cccc2ccccc12","CCN(CC)C(=O)C(C)Oc1c2c(ccc1)cccc2",{"$nulls":4},271.15722891200045,"?"]
[4064,"CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4","15301-69-6","Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O","Cc1c(c2c(oc1-c3ccccc3)c(C(=O)OCCN4CCCCC4)ccc2)=O",{"$nulls":4},391.1783582800007,"?"]
[4065,"OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl","15307-86-5","O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl","O=C(O)Cc1c(cccc1)Nc2c(cccc2Cl)Cl",{"$nulls":4},295.01668395200034,"?"]
[4066,"Ic1ccccc1C(=O)Nc2ccccc2","15310-01-7","O=C(Nc1ccccc1)c1ccccc1I","O=C(Nc1ccccc1)c2c(cccc2)I",{"$nulls":4},322.9807119400003,"?"]
[4067,null,"15322-68-6",{"$nulls":7},""]
[4068,"OCc1c2OCOc2ccc1[N+]([O-])=O","15341-08-9","O=[N+]([O-])c1ccc2c(c1CO)OCO2","O=[N+]([O-])c1c(c2c(cc1)OCO2)CO",{"$nulls":4},197.032422324,"?"]
[4069,null,"15397-07-6",{"$nulls":7},""]
[4070,"Cc1nc(C)c(cc1C(=O)NN)C(=O)NN","15420-54-9","Cc1nc(C)c(C(=O)NN)cc1C(=O)NN","Cc1c(cc(c(n1)C)C(=O)NN)C(=O)NN",{"$nulls":4},223.106924656,"?"]
[4071,null,"15446-25-0",{"$nulls":7},""]
[4072,"[O-][N+](=O)c1ccc(Oc2ccc(cc2[N+]([O-])=O)C(F)(F)F)cc1","15457-05-3","O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},328.0307059840002,"?"]
[4073,"CN(C)C(=O)Nc1ccc(C)c(Cl)c1","15545-48-9","Cc1ccc(NC(=O)N(C)C)cc1Cl","Cc1c(cc(cc1)NC(=O)N(C)C)Cl",{"$nulls":4},212.071640716,"?"]
[4074,"CN[S]#CNCO","15599-39-0","CNS#CNCO","CNS#CNCO",{"$nulls":4},120.035733876,"?"]
[4075,"CC(OC(C)=O)C#N","15657-96-2","CC(=O)OC(C)C#N","CC(=O)OC(C)C#N",{"$nulls":4},113.047678464,"?"]
[4076,"N|[Pt](|N)(|[Cl])|[Cl]","15663-27-1",{"$nulls":7},""]
[4077,"CC(C)Cc1ccc(cc1)C(C)C(O)=O","15687-27-1","CC(C)Cc1ccc(C(C)C(=O)O)cc1","CC(C)Cc1ccc(cc1)C(C)C(=O)O",{"$nulls":4},206.130679816,"?"]
[4078,"O=C1Nc2ccccc2NC1=O","15804-19-0","O=c1[nH]c2ccccc2[nH]c1=O","O=c1c([nH]c2c([nH]1)cccc2)=O",{"$nulls":4},162.042927432,"?"]
[4079,"Clc1cc(Cl)c(cc1Cl)c2ccccc2","15862-07-4","Clc1cc(Cl)c(-c2ccccc2)cc1Cl","Clc1c(cc(c(c1)Cl)-c2ccccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4080,"CCCCC(C)(C)CCC","15869-95-1","CCCCC(C)(C)CCC","CCCCC(C)(C)CCC",{"$nulls":4},142.172150704,"?"]
[4081,"OCC(O)[CH]1OC2O[CH](O[CH]2[CH]1O)C(Cl)(Cl)Cl","15879-93-3","OCC(O)C1OC2OC(C(Cl)(Cl)Cl)OC2C1O","OCC(O)C1C(C2C(O1)OC(C(Cl)(Cl)Cl)O2)O",{"$nulls":4},307.9621211120003,"?"]
[4082,"CCC(C)O","15892-23-6","CCC(C)O","CCC(C)O",{"$nulls":4},74.07316494,"?"]
[4083,null,"15909-67-8",{"$nulls":7},""]
[4084,"Clc1cccc(Cl)c1c2c(Cl)cccc2Cl","15968-05-5","Clc1cccc(Cl)c1-c1c(Cl)cccc1Cl","Clc1c(c(ccc1)Cl)-c2c(cccc2Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4085,"CCc1cccc(CC)c1N(COC)C(=O)CCl","15972-60-8","CCc1cccc(CC)c1N(COC)C(=O)CCl","CCc1c(c(ccc1)CC)N(COC)C(=O)CCl",{"$nulls":4},269.11825656000036,"?"]
[4086,null,"15996-17-5",{"$nulls":7},""]
[4087,"OC(=O)CSSSSCC(O)=O","16002-32-7","O=C(O)CSSSSCC(=O)O","O=C(O)CSSSSCC(=O)O",{"$nulls":4},245.914892672,"?"]
[4088,"CCCCOCCOC(N)=O","16006-08-9","CCCCOCCOC(N)=O","CCCCOCCOC(N)=O",{"$nulls":4},161.10519334,"?"]
[4089,"OCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","16022-69-8","OCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","OCc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",{"$nulls":4},277.86265311600005,"?"]
[4090,"CC(CN(C(C)=O)c1c(I)cc(I)c(N)c1I)C(O)=O","16034-77-8","CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I","CC(=O)N(CC(C)C(=O)O)c1c(c(c(cc1I)I)N)I",{"$nulls":4},613.8060362760004,"?"]
[4091,"[Zn](|OC(=O)C(C)O)|OC(=O)C(C)O","16039-53-5",{"$nulls":7},""]
[4092,"OC(=O)CC(Cl)C(O)=O","16045-92-4","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O",{"$nulls":4},151.98763632,"?"]
[4093,"CCNC(=O)[CH](C)OC(=O)Nc1ccccc1","16118-49-3","CCNC(=O)C(C)OC(=O)Nc1ccccc1","CCNC(=O)C(C)OC(=O)Nc1ccccc1",{"$nulls":4},236.116092372,"?"]
[4094,"CCCCCC[P](=O)(OCC)OCC","16165-66-5","CCCCCCP(=O)(OCC)OCC","CCCCCCP(=O)(OCC)OCC",{"$nulls":4},222.13848122599998,"?"]
[4095,null,"16173-26-5",{"$nulls":7},""]
[4096,null,"16188-57-1",{"$nulls":7},""]
[4097,null,"16189-10-9",{"$nulls":7},""]
[4098,"CC=C1CC2CC1C=C2","16219-75-3","CC=C1CC2C=CC1C2","CC=C1C2C=CC(C1)C2",{"$nulls":4},120.093900384,"?"]
[4099,null,"16268-25-0",{"$nulls":7},""]
[4100,null,"16357-41-8",{"$nulls":7},""]
[4101,null,"16364-31-1",{"$nulls":7},""]
[4102,"CCCC(=O)N(C)N=O","16395-81-6","CCCC(=O)N(C)N=O","CCCC(=O)N(C)N=O",{"$nulls":4},130.07422756,"?"]
[4103,"C[CH](Oc1ccc(Cl)cc1C)C(O)=O","16484-77-8","Cc1cc(Cl)ccc1OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",{"$nulls":4},214.039671892,"?"]
[4104,"NC(=O)C(Cl)=C","16490-68-9","C=C(Cl)C(N)=O","C=C(Cl)C(N)=O",{"$nulls":4},104.998141428,"?"]
[4105,"C=COC1CC1","16545-67-8","C=COC1CC1","C=COC1CC1",{"$nulls":4},84.057514876,"?"]
[4106,"Clc1cccc(c2ccccc2)c1Cl","16605-91-7","Clc1cccc(-c2ccccc2)c1Cl","Clc1c(c(ccc1)-c2ccccc2)Cl",{"$nulls":4},222.000305616,"?"]
[4107,"Clc1ccc(cc1)c2cc(Cl)ccc2Cl","16606-02-3","Clc1ccc(-c2cc(Cl)ccc2Cl)cc1","Clc1ccc(cc1)-c2c(ccc(c2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4108,null,"16631-06-4",{"$nulls":7},""]
[4109,"O[P](O)(=O)CCCl","16672-87-0","O=P(O)(O)CCCl","O=P(O)(O)CCCl",{"$nulls":4},143.974308362,"?"]
[4110,null,"16705-27-4",{"$nulls":7},""]
[4111,"CC(=O)O[CH]1[CH](O[CH]2OC(C)(C)O[CH]12)[CH]3COC(C)(C)O3","16713-80-7","CC(=O)OC1C(C2COC(C)(C)O2)OC2OC(C)(C)OC21","CC(=O)OC1C2C(OC1C3OC(OC3)(C)C)OC(C)(C)O2",{"$nulls":4},302.1365530440006,"?"]
[4112,null,"16718-61-9",{"$nulls":7},""]
[4113,null,"16733-90-7",{"$nulls":7},""]
[4114,"CNC(=O)ON=C(C)SC","16752-77-5","CNC(=O)ON=C(C)SC","CNC(=O)ON=C(C)SC",{"$nulls":4},162.04629856,"?"]
[4115,"COc1cc(Cl)c(Cl)c(Cl)c1OC","16766-29-3","COc1cc(Cl)c(Cl)c(Cl)c1OC","COc1c(c(c(c(c1)Cl)Cl)Cl)OC",{"$nulls":4},239.951162504,"?"]
[4116,"COc1cc(Cl)ccc1O","16766-30-6","COc1cc(Cl)ccc1O","COc1c(ccc(c1)Cl)O",{"$nulls":4},158.013457144,"?"]
[4117,null,"16805-99-5",{"$nulls":7},""]
[4118,null,"16806-00-1",{"$nulls":7},""]
[4119,"Nc1ccc(cc1)[S](=O)(=O)Nc2scnn2","16806-29-4","Nc1ccc(S(=O)(=O)Nc2nncs2)cc1","Nc1ccc(cc1)S(=O)(=O)Nc2scnn2",{"$nulls":4},256.008867496,"?"]
[4120,"CCOC(=O)CC1(C)CCC(=O)O1","16807-50-4","CCOC(=O)CC1(C)CCC(=O)O1","CCOC(=O)CC1(OC(CC1)=O)C",{"$nulls":4},186.089208928,"?"]
[4121,null,"16827-45-5",{"$nulls":7},""]
[4122,null,"16840-28-1",{"$nulls":7},""]
[4123,null,"16845-41-3",{"$nulls":7},""]
[4124,"COC(=O)N(C(C)=O)c1ccccc1C(O)=O","16851-69-7","COC(=O)N(C(C)=O)c1ccccc1C(=O)O","COC(=O)N(C(C)=O)c1c(cccc1)C(=O)O",{"$nulls":4},237.063722452,"?"]
[4125,null,"16878-77-6",{"$nulls":7},""]
[4126,"CC(C)C1(Br)C(=O)NC(=O)NC1=O","16952-71-9","CC(C)C1(Br)C(=O)NC(=O)NC1=O","CC(C)C1(C(NC(NC1=O)=O)=O)Br",{"$nulls":4},247.979654248,"?"]
[4127,null,"16993-45-6",{"$nulls":7},""]
[4128,"CCCCC1(CCCC)C(=O)NC(=O)NC1=O","17013-41-1","CCCCC1(CCCC)C(=O)NC(=O)NC1=O","CCCCC1(C(NC(NC1=O)=O)=O)CCCC",{"$nulls":4},240.1473925,"?"]
[4129,"CCCC1(CCC(C)C)C(=O)NC(=O)NC1=O","17013-42-2","CCCC1(CCC(C)C)C(=O)NC(=O)NC1=O","CCCC1(C(NC(NC1=O)=O)=O)CCC(C)C",{"$nulls":4},240.1473925,"?"]
[4130,null,"17056-95-0",{"$nulls":7},""]
[4131,null,"17056-96-1",{"$nulls":7},""]
[4132,null,"17056-99-4",{"$nulls":7},""]
[4133,null,"17057-00-0",{"$nulls":7},""]
[4134,null,"17073-27-7",{"$nulls":7},""]
[4135,null,"17103-43-4",{"$nulls":7},""]
[4136,null,"17103-45-6",{"$nulls":7},""]
[4137,null,"17103-46-7",{"$nulls":7},""]
[4138,null,"17103-48-9",{"$nulls":7},""]
[4139,null,"17103-49-0",{"$nulls":7},""]
[4140,null,"17103-51-4",{"$nulls":7},""]
[4141,null,"17103-52-5",{"$nulls":7},""]
[4142,null,"17103-53-6",{"$nulls":7},""]
[4143,"CCO[P](=O)(Sc1ccccc1)Sc2ccccc2","17109-49-8","CCOP(=O)(Sc1ccccc1)Sc1ccccc1","CCOP(=O)(Sc1ccccc1)Sc2ccccc2",{"$nulls":4},310.02510835000044,"?"]
[4144,null,"17153-21-8",{"$nulls":7},""]
[4145,null,"17186-15-1",{"$nulls":7},""]
[4146,null,"17199-14-3",{"$nulls":7},""]
[4147,"O[CH](C(O)=O)c1ccccc1","17199-29-0","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",{"$nulls":4},152.047344116,"?"]
[4148,null,"17245-63-5",{"$nulls":7},""]
[4149,null,"17303-54-7",{"$nulls":7},""]
[4150,null,"17343-27-0",{"$nulls":7},""]
[4151,"CC(C)OC(C)(C)C","17348-59-3","CC(C)OC(C)(C)C","CC(C)OC(C)(C)C",{"$nulls":4},116.120115132,"?"]
[4152,"N[CH](Cc1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O)C(O)=O","17360-11-1","NC(Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(=O)O","NC(Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O",{"$nulls":4},271.04404962800027,"?"]
[4153,null,"17364-00-0",{"$nulls":7},""]
[4154,"CC(=O)NC(=O)CCl","17368-73-9","CC(=O)NC(=O)CCl","CC(=O)NC(=O)CCl",{"$nulls":4},135.008706112,"?"]
[4155,null,"17433-87-3",{"$nulls":7},""]
[4156,null,"17445-86-2",{"$nulls":7},""]
[4157,null,"17475-41-1",{"$nulls":7},""]
[4158,"CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)[S](N)(=O)=O","17560-51-9","Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C","Cc1c(cccc1)N2C(Nc3c(C2=O)cc(S(N)(=O)=O)c(Cl)c3)C",{"$nulls":4},365.0600900520005,"?"]
[4159,"Cc1nnc(N)nc1C","17584-12-2","Cc1nnc(N)nc1C","Cc1c(nc(nn1)N)C",{"$nulls":4},124.07489625599999,"?"]
[4160,null,"17584-90-6",{"$nulls":7},""]
[4161,"CN(C)C(CS[S](=O)(=O)c1ccccc1)CS[S](=O)(=O)c2ccccc2","17606-31-4","CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1","CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c2ccccc2",{"$nulls":4},431.03534215200057,"?"]
[4162,"CCC(CC#N)C#N","17611-82-4","CCC(C#N)CC#N","CCC(C#N)CC#N",{"$nulls":4},108.06874825599999,"?"]
[4163,"Nc1ccc(cc1)[S](=O)(=O)c2ccc(N)cc2[S](N)(=O)=O","17615-73-5","Nc1ccc(S(=O)(=O)c2ccc(N)cc2S(N)(=O)=O)cc1","Nc1ccc(cc1)S(=O)(=O)c2c(cc(cc2)N)S(N)(=O)=O",{"$nulls":4},327.03474789600034,"?"]
[4164,"CC1OC(CCC1OC2OC(C)C(C(O)C2O)N(C)C)N3C=CC(=NC3=O)NC(=O)c4ccc(NC(=O)C(C)(N)CO)cc4","17650-86-1","CC1OC(n2ccc(NC(=O)c3ccc(NC(=O)C(C)(N)CO)cc3)nc2=O)CCC1OC1OC(C)C(N(C)C)C(O)C1O","CC1C(CCC(O1)n2c(nc(cc2)NC(=O)c3ccc(cc3)NC(=O)C(C)(N)CO)=O)OC4C(C(C(C(O4)C)N(C)C)O)O",{"$nulls":4},618.3013269240013,"?"]
[4165,"OCCOC(=O)c1ccccc1C(O)=O","17689-42-8","O=C(O)c1ccccc1C(=O)OCCO","O=C(O)c1c(cccc1)C(=O)OCCO",{"$nulls":4},210.05282342,"?"]
[4166,null,"17694-78-9",{"$nulls":7},""]
[4167,"[O-][N+](=O)c1ccc(Cl)c(Cl)c1Cl","17700-09-3","O=[N+]([O-])c1ccc(Cl)c(Cl)c1Cl","O=[N+]([O-])c1c(c(c(cc1)Cl)Cl)Cl",{"$nulls":4},224.915111344,"?"]
[4168,"Clc1cccc(NC(=O)CC#N)c1","17722-12-2","N#CCC(=O)Nc1cccc(Cl)c1","N#CCC(=O)Nc1cc(ccc1)Cl",{"$nulls":4},194.024690524,"?"]
[4169,"Clc1ccc(NC(=O)CC#N)cc1","17722-17-7","N#CCC(=O)Nc1ccc(Cl)cc1","N#CCC(=O)Nc1ccc(cc1)Cl",{"$nulls":4},194.024690524,"?"]
[4170,null,"17772-30-4",{"$nulls":7},""]
[4171,"CCN1C=CC(=NC1=O)N[S](=O)(=O)c2ccc(N)cc2","17784-12-2","CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O","CCn1c(nc(cc1)NS(=O)(=O)c2ccc(cc2)N)=O",{"$nulls":4},294.0786613080004,"?"]
[4172,"CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12","17804-35-2","CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc21","CCCCNC(=O)n1c2c(nc1NC(=O)OC)cccc2",{"$nulls":4},290.1378904360005,"?"]
[4173,null,"17894-07-4",{"$nulls":7},""]
[4174,"CC(C)C(NC(C)=O)C(O)=O","17916-88-0","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C",{"$nulls":4},159.089543276,"?"]
[4175,"Nc1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O","17973-92-1","Nc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1","Nc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]",{"$nulls":4},199.02292026,"?"]
[4176,"OC(=O)Cc1sc(nc1c2ccc(Cl)cc2)c3ccccc3","18046-21-4","O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1","O=C(O)Cc1c(nc(s1)-c2ccccc2)-c3ccc(cc3)Cl",{"$nulls":4},329.02772730400034,"?"]
[4177,"C=CCCCN=C=S","18060-79-2","C=CCCCN=C=S","C=CCCCN=C=S",{"$nulls":4},127.045570288,"?"]
[4178,"Oc1cc(ccc1[N+]([O-])=O)c2ccccc2","18062-89-0","O=[N+]([O-])c1ccc(-c2ccccc2)cc1O","O=[N+]([O-])c1c(cc(cc1)-c2ccccc2)O",{"$nulls":4},215.058243148,"?"]
[4179,null,"18102-32-4",{"$nulls":7},""]
[4180,null,"18135-04-1",{"$nulls":7},""]
[4181,"CC(C)OC(=O)c1ccc(N)cc1","18144-43-9","CC(C)OC(=O)c1ccc(N)cc1","CC(C)OC(=O)c1ccc(cc1)N",{"$nulls":4},179.094628656,"?"]
[4182,"CCN(CC)C(=O)C1=Cc2ccccc2OC1=O","18144-62-2","CCN(CC)C(=O)c1cc2ccccc2oc1=O","CCN(CC)C(=O)c1c(oc2c(c1)cccc2)=O",{"$nulls":4},245.10519334,"?"]
[4183,"C[Si](C)(C)CN","18166-02-4","C[Si](C)(C)CN","C[Si](C)(C)CN",{"$nulls":4},103.08172594599999,"?"]
[4184,"CO[P](=S)(OC)Oc1cc(Cl)c(I)cc1Cl","18181-70-9","COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)I)Cl",{"$nulls":4},411.83535510600024,"?"]
[4185,"CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c2ccc(Br)cc2","18181-80-1","CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1","CC(C)OC(=O)C(O)(c1ccc(cc1)Br)c2ccc(cc2)Br",{"$nulls":4},425.9466185720005,"?"]
[4186,"C[Si](C)(C)CCCN","18187-14-9","C[Si](C)(C)CCCN","C[Si](C)(C)CCCN",{"$nulls":4},131.113026074,"?"]
[4187,"Clc1c(Cl)c(Cl)c(c2ccccc2)c(Cl)c1Cl","18259-05-7","Clc1c(Cl)c(Cl)c(-c2ccccc2)c(Cl)c1Cl","Clc1c(c(c(c(c1Cl)Cl)-c2ccccc2)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4188,null,"18264-75-0",{"$nulls":7},""]
[4189,null,"18268-54-7",{"$nulls":7},""]
[4190,"OCc1ccc(I)cc1","18282-51-4","OCc1ccc(I)cc1","OCc1ccc(cc1)I",{"$nulls":4},233.954162844,"?"]
[4191,null,"18310-18-4",{"$nulls":7},""]
[4192,"CC1CCC(=C(C1)NO)N=O","18310-19-5","CC1CCC(N=O)=C(NO)C1","CC1CC(=C(CC1)N=O)NO",{"$nulls":4},156.089877624,"?"]
[4193,null,"18310-20-8",{"$nulls":7},""]
[4194,"C[CH](NC(N)=O)C([O-])=O","18409-49-9","CC(NC(N)=O)C(=O)[O-]","CC(NC(N)=O)C(=O)O",{"$nulls":4},131.045667084,"Structure has been neutralized"]
[4195,"Cc1cccc2c3cc4ccccc4cc3cc(C)c12","18429-70-4","Cc1cccc2c1c(C)cc1cc3ccccc3cc12","Cc1c2c(ccc1)c3c(cc2C)cc4c(cccc4)c3",{"$nulls":4},256.125200512,"?"]
[4196,null,"18438-56-7",{"$nulls":7},""]
[4197,null,"18486-81-2",{"$nulls":7},""]
[4198,"COC(=O)C1=CO[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH]3[CH](C)[CH](O)C[CH]13","18524-94-2","COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2C","COC(=O)C=1C2C(C(OC1)OC3C(C(C(C(O3)CO)O)O)O)C(C(C2)O)C",{"$nulls":4},390.1525970320007,"?"]
[4199,"CN(C)C(=O)NC1CC2CC1C3CCCC23","18530-56-8","CN(C)C(=O)NC1CC2CC1C1CCCC21","CN(C)C(=O)NC1C2CC(C1)C3C2CCC3",{"$nulls":4},222.173213324,"?"]
[4200,"CCS[S](=O)CC","18542-39-7","CCSS(=O)CC","CCSS(=O)CC",{"$nulls":4},138.01730694,"?"]
[4201,"CC(C)(C)NCC(O)c1ccc(O)c(CO)c1","18559-94-9","CC(C)(C)NCC(O)c1ccc(O)c(CO)c1","CC(C)(C)NCC(O)c1cc(c(cc1)O)CO",{"$nulls":4},239.152143532,"?"]
[4202,null,"18653-59-3",{"$nulls":7},""]
[4203,null,"18679-55-5",{"$nulls":7},""]
[4204,"CNC(=O)N(C)c1sc2ccccc2n1","18691-97-9","CNC(=O)N(C)c1nc2ccccc2s1","CNC(=O)N(C)c1sc2c(n1)cccc2",{"$nulls":4},221.062282972,"?"]
[4205,"[O-][N+](=O)c1c(Cl)cc(Cl)cc1Cl","18708-70-8","O=[N+]([O-])c1c(Cl)cc(Cl)cc1Cl","O=[N+]([O-])c1c(cc(cc1Cl)Cl)Cl",{"$nulls":4},224.915111344,"?"]
[4206,"CCCCC(O)C(C)C","18720-62-2","CCCCC(O)C(C)C","CCCCC(O)C(C)C",{"$nulls":4},130.135765196,"?"]
[4207,"CCC(C)CC(O)CC","18720-65-5","CCC(C)CC(O)CC","CCC(C)CC(O)CC",{"$nulls":4},130.135765196,"?"]
[4208,"CCC(O)CCC(C)C","18720-66-6","CCC(O)CCC(C)C","CCC(O)CCC(C)C",{"$nulls":4},130.135765196,"?"]
[4209,null,"18721-69-2",{"$nulls":7},""]
[4210,null,"18807-87-9",{"$nulls":7},""]
[4211,"CCO[P](=S)(OCC)Oc1cc(on1)c2ccccc2","18854-01-8","CCOP(=S)(OCC)Oc1cc(-c2ccccc2)on1","CCOP(=S)(OCC)Oc1noc(c1)-c2ccccc2",{"$nulls":4},313.05376562200047,"?"]
[4212,null,"18854-93-8",{"$nulls":7},""]
[4213,null,"18934-77-5",{"$nulls":7},""]
[4214,"OCc1ccccc1Br","18982-54-2","OCc1ccccc1Br","OCc1c(cccc1)Br",{"$nulls":4},185.968026944,"?"]
[4215,"CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)[S](N)(=O)=O)[N+]([O-])=O","19044-88-3","CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(N)(=O)=O)[N+](=O)[O-]",{"$nulls":4},346.0947052960004,"?"]
[4216,"CC(=O)Nc1ccc(cc1)[S](=O)(=O)Nc2ccccn2","19077-98-6","CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2",{"$nulls":4},291.0677622760004,"?"]
[4217,null,"19152-77-3",{"$nulls":7},""]
[4218,null,"19167-57-8",{"$nulls":7},""]
[4219,"Nc1ccc(cc1)[S](=O)(=O)N=C2C=CC=CN2O","19250-24-9","Nc1ccc(S(=O)(=O)N=c2ccccn2O)cc1","Nc1ccc(cc1)S(=O)(=O)N=c2n(cccc2)O",{"$nulls":4},265.0521122120002,"?"]
[4220,null,"19264-34-7",{"$nulls":7},""]
[4221,null,"19275-71-9",{"$nulls":7},""]
[4222,null,"19288-69-8",{"$nulls":7},""]
[4223,null,"19288-70-1",{"$nulls":7},""]
[4224,"N[CH]([CH](O)[CH](O)COC(N)=O)C(=O)N[CH]([CH]1O[CH](C(O)C1O)N2C=C(CO)C(=O)NC2=O)C(O)=O","19396-06-6","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1OC(n2cc(CO)c(=O)[nH]c2=O)C(O)C1O","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1C(C(C(O1)n2c([nH]c(c(c2)CO)=O)=O)O)O",{"$nulls":4},507.14488586000056,"?"]
[4225,"[Cl-].C[CH]1O[CH](OC2[CH](O)[CH](O)C(O)[CH](O)[CH]2O)[CH](N)C[CH]1N=C(N)C(O)=O.[H+]","19408-46-9","CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1N=C(N)C(=O)O","CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(N)C(=O)O","[Cl-]","[H+]",null,null,415.13575709200074,"?"]
[4226,"NC(=O)C(Cl)CCl","19433-84-2","NC(=O)C(Cl)CCl","NC(=O)C(Cl)CCl",{"$nulls":4},140.97481914,"?"]
[4227,"COc1cc(C=O)cc(Cl)c1O","19463-48-0","COc1cc(C=O)cc(Cl)c1O","COc1c(c(cc(c1)C=O)Cl)O",{"$nulls":4},186.008371764,"?"]
[4228,"Brc1ccc2COC(=O)c2c1","19477-73-7","O=C1OCc2ccc(Br)cc21","O=C1c2c(CO1)ccc(Br)c2",{"$nulls":4},211.9472915,"?"]
[4229,"CCC(C)C(O)C(C)CC","19549-79-2","CCC(C)C(O)C(C)CC","CCC(C)C(O)C(C)CC",{"$nulls":4},144.15141526,"?"]
[4230,"CC(C)C(C)CO","19550-30-2","CC(C)C(C)CO","CC(C)C(C)CO",{"$nulls":4},102.104465068,"?"]
[4231,"Oc1c(Cl)cc(Cl)cc1Cc2ccccc2","19578-81-5","Oc1c(Cl)cc(Cl)cc1Cc1ccccc1","Oc1c(cc(cc1Cl)Cl)Cc2ccccc2",{"$nulls":4},252.0108703,"?"]
[4232,"[Cl-].CCSC(=O)NCCC[NH+](C)C","19622-19-6","CCSC(=O)NCCC[NH+](C)C","CCSC(=O)NCCCN(C)C","[Cl-]",{"$nulls":3},226.090661908,"Structure has been neutralized"]
[4233,null,"19641-29-3",{"$nulls":7},""]
[4234,"CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl","19666-30-9","CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl","CC(C)Oc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl",{"$nulls":4},344.0694477960005,"?"]
[4235,null,"19692-24-1",{"$nulls":7},""]
[4236,null,"19757-53-0",{"$nulls":7},""]
[4237,null,"19764-30-8",{"$nulls":7},""]
[4238,"CCC(C)C(NC(C)=O)C(O)=O","19764-31-9","CCC(C)C(NC(C)=O)C(=O)O","CCC(C)C(NC(C)=O)C(=O)O",{"$nulls":4},173.10519334,"?"]
[4239,"COC[CH](N)C(O)=O","19794-53-7","COCC(N)C(=O)O","COCC(N)C(=O)O",{"$nulls":4},119.058243148,"?"]
[4240,"BrC1=CN=CNC1=O","19808-30-1","O=c1[nH]cncc1Br","O=c1c(cnc[nH]1)Br",{"$nulls":4},173.942874816,"?"]
[4241,"OC1=C(C#N)C(=O)C=C(Cl)N1","19867-18-6","N#Cc1c(O)[nH]c(Cl)cc1=O","N#Cc1c(cc([nH]c1O)Cl)=O",{"$nulls":4},169.988305016,"?"]
[4242,"CC(CO)C(=O)O[CH]1CC(=CCCC(=C[CH]2OC(=O)C(=C)[CH]12)CO)C","19889-01-1","C=C1C(=O)OC2C=C(CO)CCC=C(C)CC(OC(=O)C(C)CO)C12","C=C1C2C(OC1=O)C=C(CO)CCC=C(C)CC2OC(=O)C(C)CO",{"$nulls":4},350.17293855200074,"?"]
[4243,"COc1ccc(NC(=O)N(C)C)cc1Cl","19937-59-8","COc1ccc(NC(=O)N(C)C)cc1Cl","COc1c(cc(cc1)NC(=O)N(C)C)Cl",{"$nulls":4},228.066555336,"?"]
[4244,"CCNC(C)C","19961-27-4","CCNC(C)C","CCNC(C)C",{"$nulls":4},87.10479941599999,"?"]
[4245,"Clc1c(Cl)c(Cl)c2ccccc2c1Cl","20020-02-4","Clc1c(Cl)c(Cl)c2ccccc2c1Cl","Clc1c(c2c(c(c1Cl)Cl)cccc2)Cl",{"$nulls":4},263.9067108480001,"?"]
[4246,null,"20020-13-7",{"$nulls":7},""]
[4247,"CCCCCCCCCCCCOC(=O)c1ccc(N)cc1","20043-94-1","CCCCCCCCCCCCOC(=O)c1ccc(N)cc1","CCCCCCCCCCCCOC(=O)c1ccc(cc1)N",{"$nulls":4},305.2354792320009,"?"]
[4248,null,"20049-93-8",{"$nulls":7},""]
[4249,"ClC(Cl)(Cl)CC(=C)c1ccccc1","20057-31-2","C=C(CC(Cl)(Cl)Cl)c1ccccc1","C=C(CC(Cl)(Cl)Cl)c1ccccc1",{"$nulls":4},233.976983328,"?"]
[4250,"COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)C=Cc3ccccc3","20168-99-4","COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)C=Cc1ccccc1","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)C=Cc3ccccc3",{"$nulls":4},349.1314080880005,"?"]
[4251,"CCCCCO[P](=O)(OCC)OCC","20195-08-8","CCCCCOP(=O)(OCC)OCC","CCCCCOP(=O)(OCC)OCC",{"$nulls":4},224.117745782,"?"]
[4252,"CCC(C)C(NC(C)=O)C(O)=O","20257-17-4","CCC(C)C(NC(C)=O)C(=O)O","CCC(C)C(NC(C)=O)C(=O)O",{"$nulls":4},173.10519334,"?"]
[4253,"CCCCCCOC(=O)C(C)O","20279-51-0","CCCCCCOC(=O)C(C)O","CCCCCCOC(=O)C(C)O",{"$nulls":4},174.125594436,"?"]
[4254,"CC(O)C(C)(C)C","20281-91-8","CC(O)C(C)(C)C","CC(O)C(C)(C)C",{"$nulls":4},102.104465068,"?"]
[4255,"CCCCCC(O)CC","20296-29-1","CCCCCC(O)CC","CCCCCC(O)CC",{"$nulls":4},130.135765196,"?"]
[4256,"CC[S](=O)(=O)CCS[P](=S)(OC)OC","20301-63-7","CCS(=O)(=O)CCSP(=S)(OC)OC","CCS(=O)(=O)CCSP(=S)(OC)OC",{"$nulls":4},277.9870085900004,"?"]
[4257,"COCC(C)OCC(C)OCC(C)O","20324-33-8","COCC(C)OCC(C)OCC(C)O","COCC(C)OCC(C)OCC(C)O",{"$nulls":4},206.151809184,"?"]
[4258,"CN1C(=O)ON(C1=O)c2ccc(Cl)c(Cl)c2","20354-26-1","Cn1c(=O)on(-c2ccc(Cl)c(Cl)c2)c1=O","Cn1c(n(oc1=O)-c2cc(c(cc2)Cl)Cl)=O",{"$nulls":4},259.9755474120001,"?"]
[4259,"CCCOc1ccc(NC(C)=O)cc1","20367-32-2","CCCOc1ccc(NC(C)=O)cc1","CCCOc1ccc(cc1)NC(C)=O",{"$nulls":4},193.11027872,"?"]
[4260,null,"20473-73-8",{"$nulls":7},""]
[4261,null,"20473-77-2",{"$nulls":7},""]
[4262,"CC1(C)C2CCC1(C)C(=O)C2CO","20618-41-1","CC12CCC(C(CO)C1=O)C2(C)C","CC12C(C(C(CC1)C2(C)C)CO)=O",{"$nulls":4},182.130679816,"?"]
[4263,"CN(C(N)=O)c1ccccc1C","20632-28-4","Cc1ccccc1N(C)C(N)=O","Cc1c(cccc1)N(C)C(N)=O",{"$nulls":4},164.094963004,"?"]
[4264,"CCCCCCO[N+]([O-])=O","20633-11-8","CCCCCCO[N+](=O)[O-]","CCCCCCO[N+](=O)[O-]",{"$nulls":4},147.089543276,"?"]
[4265,null,"20664-26-0",{"$nulls":7},""]
[4266,null,"20664-28-2",{"$nulls":7},""]
[4267,null,"20664-34-0",{"$nulls":7},""]
[4268,null,"20664-36-2",{"$nulls":7},""]
[4269,null,"20664-40-8",{"$nulls":7},""]
[4270,"CCN(C(N)=O)c1ccccc1C","20722-63-8","CCN(C(N)=O)c1ccccc1C","CCN(C(N)=O)c1c(cccc1)C",{"$nulls":4},178.110613068,"?"]
[4271,null,"20724-92-9",{"$nulls":7},""]
[4272,null,"20753-85-9",{"$nulls":7},""]
[4273,"OC(=O)CC1=CNC(=O)NC1=O","20763-91-1","O=C(O)Cc1c[nH]c(=O)[nH]c1=O","O=C(O)Cc1c([nH]c([nH]c1)=O)=O",{"$nulls":4},170.032756672,"?"]
[4274,null,"20769-96-4",{"$nulls":7},""]
[4275,"CC(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(C)=O)cc1","20782-48-3","CC(=O)c1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)cc1","CC(=O)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)=O",{"$nulls":4},296.1160923720005,"?"]
[4276,null,"20805-10-1",{"$nulls":7},""]
[4277,null,"20805-11-2",{"$nulls":7},""]
[4278,null,"20820-44-4",{"$nulls":7},""]
[4279,"Cc1cc(C)c(C)c(C)n1","20820-82-0","Cc1cc(C)c(C)c(C)n1","Cc1nc(c(c(c1)C)C)C",{"$nulls":4},135.104799416,"?"]
[4280,"C[CH]1O[CH](C[CH](O)[CH]1O)O[CH]2[CH](O)C[CH](O[CH]2C)O[CH]3[CH](O)C[CH](O[CH]3C)O[CH]4CC[C]5(C)[CH](CC[CH]6[CH]5C[CH](O)[C]7(C)[CH](CC[C]67O)C8=CC(=O)OC8)C4","20830-75-5","CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(C(C6)O)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O",{"$nulls":4},780.4296067280018,"?"]
[4281,null,"20836-12-8",{"$nulls":7},""]
[4282,"Clc1ccc(NC(NC=O)C(Cl)(Cl)Cl)cc1Cl","20856-57-9","O=CNC(Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl","O=CNC(Nc1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl",{"$nulls":4},333.90010124400015,"?"]
[4283,null,"20862-58-2",{"$nulls":7},""]
[4284,null,"20893-64-5",{"$nulls":7},""]
[4285,null,"20939-13-3",{"$nulls":7},""]
[4286,"S=C1NSC(=S)N1","20939-17-7","S=c1[nH]sc(=S)[nH]1","S=c1[nH]c(s[nH]1)=S",{"$nulls":4},149.938011064,"?"]
[4287,"CSC1=NN=C(C(=O)N1N)C(C)(C)C","21087-64-9","CSc1nnc(C(C)(C)C)c(=O)n1N","CSc1n(c(c(nn1)C(C)(C)C)=O)N",{"$nulls":4},214.088832068,"?"]
[4288,null,"21142-58-5",{"$nulls":7},""]
[4289,"CC1CC(C)(C)c2cc(C(C)=O)c(C)cc2C1(C)C","21145-77-7","CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C","CC(=O)c1c(cc2c(c1)C(CC(C2(C)C)C)(C)C)C",{"$nulls":4},258.1983654520001,"?"]
[4290,"OC(=O)c1cccc(C(O)=O)c1[N+]([O-])=O","21161-11-5","O=C(O)c1cccc(C(=O)O)c1[N+](=O)[O-]","O=C(O)c1c(c(ccc1)C(=O)O)[N+](=O)[O-]",{"$nulls":4},211.01168688,"?"]
[4291,"CC(C#C)N(C(=O)CCl)c1ccccc1","21267-72-1","C#CC(C)N(C(=O)CCl)c1ccccc1","C#CC(C)N(C(=O)CCl)c1ccccc1",{"$nulls":4},221.060741684,"?"]
[4292,null,"21326-62-5",{"$nulls":7},""]
[4293,null,"21419-76-1",{"$nulls":7},""]
[4294,"CC(=O)N[CH](CSc1ccc(Cl)cc1)C(O)=O","21462-48-6","CC(=O)NC(CSc1ccc(Cl)cc1)C(=O)O","CC(=O)NC(CSc1ccc(cc1)Cl)C(=O)O",{"$nulls":4},273.0226419240003,"?"]
[4295,"CCO[P](=O)(OCC)N=C1SCS1","21548-32-3","CCOP(=O)(N=C1SCS1)OCC","CCOP(=O)(N=C1SCS1)OCC",{"$nulls":4},240.999621874,"?"]
[4296,"N#CSCSc1sc2ccccc2n1","21564-17-0","N#CSCSc1nc2ccccc2s1","N#CSCSc1sc2c(n1)cccc2",{"$nulls":4},237.969311192,"?"]
[4297,"CCCC(O)CC(C)C","21570-35-4","CCCC(O)CC(C)C","CCCC(O)CC(C)C",{"$nulls":4},130.135765196,"?"]
[4298,"CO[P](=S)(Oc1cc(Cl)c(Br)cc1Cl)c2ccccc2","21609-90-5","COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1","COP(=S)(Oc1c(cc(c(c1)Cl)Br)Cl)c2ccccc2",{"$nulls":4},409.86995465000024,"?"]
[4299,null,"21626-90-4",{"$nulls":7},""]
[4300,"CCNc1nc(Cl)nc(NC(C)(C)C#N)n1","21725-46-2","CCNc1nc(Cl)nc(NC(C)(C)C#N)n1","CCNc1nc(nc(n1)Cl)NC(C)(C)C#N",{"$nulls":4},240.08902209599998,"?"]
[4301,"[O-]C(=O)c1cc(Br)ccc1Cl","21739-92-4","O=C([O-])c1cc(Br)ccc1Cl","O=C(O)c1c(ccc(c1)Br)Cl",{"$nulls":4},232.900494116,"Structure has been neutralized"]
[4302,"CN1C(=O)COc2ccccc12","21744-84-3","CN1C(=O)COc2ccccc21","CN1c2c(OCC1=O)cccc2",{"$nulls":4},163.063328528,"?"]
[4303,"CC(=O)OC(c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl","21757-82-4","CC(=O)OC(c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl","CC(=O)OC(c1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl",{"$nulls":4},333.8888678640002,"?"]
[4304,"CCC(O)CNCC(O)CC","21838-75-5","CCC(O)CNCC(O)CC","CCC(O)CNCC(O)CC",{"$nulls":4},161.141578848,"?"]
[4305,"CCCC(C)O[N+]([O-])=O","21981-48-6","CCCC(C)O[N+](=O)[O-]","CCCC(C)O[N+](=O)[O-]",{"$nulls":4},133.073893212,"?"]
[4306,"CC=C(Cl)C(O)=O","22038-56-8","CC=C(Cl)C(=O)O","CC=C(Cl)C(=O)O",{"$nulls":4},119.99780708,"?"]
[4307,"[Cl-].C[NH+](C)C(CSC(N)=O)CSC(N)=O","22042-59-7","C[NH+](C)C(CSC(N)=O)CSC(N)=O","CN(C)C(CSC(N)=O)CSC(N)=O","[Cl-]",{"$nulls":3},273.03724643199996,"Structure has been neutralized"]
[4308,"CC(C(O)=O)c1cccc(c1)C(=O)c2ccccc2","22071-15-4","CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1","CC(C(=O)O)c1cc(ccc1)C(=O)c2ccccc2",{"$nulls":4},254.094294308,"?"]
[4309,null,"22097-10-5",{"$nulls":7},""]
[4310,null,"22119-15-9",{"$nulls":7},""]
[4311,"CC(O)C(O)c1cnc2NC(=NC(=O)c2n1)N","22150-76-1","CC(O)C(O)c1cnc2[nH]c(N)nc(=O)c2n1","CC(O)C(O)c1nc2c(nc1)[nH]c(N)nc2=O",{"$nulls":4},237.086189212,"?"]
[4312,"COc1ccc2cc(ccc2c1)C(C)C(O)=O","22204-53-1","COc1ccc2cc(C(C)C(=O)O)ccc2c1","COc1cc2c(cc1)cc(C(C)C(=O)O)cc2",{"$nulls":4},230.094294308,"?"]
[4313,"CCOC(=O)C(C)N(C(=O)c1ccccc1)c2ccc(Cl)c(Cl)c2","22212-55-1","CCOC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1","CCOC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)Cl)Cl",{"$nulls":4},365.0585487640005,"?"]
[4314,"CCO[P](=O)(NC(C)C)Oc1ccc(SC)c(C)c1","22224-92-6","CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1","CCOP(=O)(NC(C)C)Oc1cc(c(cc1)SC)C",{"$nulls":4},303.1058011940006,"?"]
[4315,"CO[P](=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl","22248-79-9","COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl",{"$nulls":4},363.89925611800027,"?"]
[4316,"[H+].[Cl-].CNC(=O)Oc1cccc(c1)N=CN(C)C","22259-30-9","CNC(=O)Oc1cccc(N=CN(C)C)c1","CNC(=O)Oc1cc(ccc1)N=CN(C)C","[Cl-]","[H+]",null,null,257.093104432,"?"]
[4317,"COC(=O)c1sccc1N","22288-78-4","COC(=O)c1sccc1N","COC(=O)c1c(ccs1)N",{"$nulls":4},157.019749464,"?"]
[4318,null,"22350-76-1",{"$nulls":7},""]
[4319,null,"22359-66-6",{"$nulls":7},""]
[4320,"CCOc1ccc(NC(=O)CO)cc1","22521-79-5","CCOc1ccc(NC(=O)CO)cc1","CCOc1ccc(cc1)NC(=O)CO",{"$nulls":4},195.089543276,"?"]
[4321,null,"22589-07-7",{"$nulls":7},""]
[4322,null,"22659-18-3",{"$nulls":7},""]
[4323,null,"22659-20-7",{"$nulls":7},""]
[4324,null,"22665-54-9",{"$nulls":7},""]
[4325,"C[S](=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)c1ccccc1","22729-75-5","CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)c1ccccc1","CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)c1ccccc1",{"$nulls":4},384.87345943600025,"?"]
[4326,null,"22751-16-2",{"$nulls":7},""]
[4327,"CNC(=O)Oc1cccc2OC(C)(C)Oc12","22781-23-3","CNC(=O)Oc1cccc2c1OC(C)(C)O2","CNC(=O)Oc1c2c(ccc1)OC(O2)(C)C",{"$nulls":4},223.084457896,"?"]
[4328,"COc1ccc(C[CH]2NC[CH](O)[CH]2OC(C)=O)cc1","22862-76-6","COc1ccc(CC2NCC(O)C2OC(C)=O)cc1","COc1ccc(cc1)CC2C(C(CN2)O)OC(C)=O",{"$nulls":4},265.1314080880003,"?"]
[4329,"[Na+].[O-]C(=O)C(F)(F)C(F)F","22898-01-7","O=C([O-])C(F)(F)C(F)F","O=C(O)C(F)(F)C(F)F","[Na+]",{"$nulls":3},167.981036432,"Structure has been neutralized"]
[4330,null,"22915-90-8",{"$nulls":7},""]
[4331,"CCNc1nc(NC(C)C(C)C)nc(SC)n1","22936-75-0","CCNc1nc(NC(C)C(C)C)nc(SC)n1","CCNc1nc(nc(n1)NC(C)C(C)C)SC",{"$nulls":4},255.15176667199998,"?"]
[4332,"CC(C)Nc1nc(Cl)nc(NC2CC2)n1","22936-86-3","CC(C)Nc1nc(Cl)nc(NC2CC2)n1","CC(C)Nc1nc(nc(n1)Cl)NC2CC2",{"$nulls":4},227.09377312799998,"?"]
[4333,"[O-][N+](=O)c1nccn1CC(=O)NCc2ccccc2","22994-85-0","O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1","O=C(Cn1c(ncc1)[N+](=O)[O-])NCc2ccccc2",{"$nulls":4},260.09094024400014,"?"]
[4334,"CC(C)=C[CH]1[CH](C(=O)OC2CC(=O)C(=C2C)CC#C)C1(C)C","23031-36-9","C#CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O","C#CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",{"$nulls":4},300.17254462800065,"?"]
[4335,"CCn1cnc2N(C)C(=O)N(C)C(=O)c12","23043-88-1","CCn1cnc2c1c(=O)n(C)c(=O)n2C","CCn1c2c(nc1)n(c(n(c2=O)C)=O)C",{"$nulls":4},208.096025624,"?"]
[4336,"CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C","23103-98-2","Cc1nc(N(C)C)nc(OC(=O)N(C)C)c1C","Cc1c(c(nc(n1)N(C)C)OC(=O)N(C)C)C",{"$nulls":4},238.142975816,"?"]
[4337,"CNC(=O)ON=C(SC)C(=O)N(C)C","23135-22-0","CNC(=O)ON=C(SC)C(=O)N(C)C","CNC(=O)ON=C(SC)C(=O)N(C)C",{"$nulls":4},219.067762276,"?"]
[4338,"CN1C(=O)N(C)c2ncn(CCCO)c2C1=O","23146-04-5","Cn1c(=O)c2c(ncn2CCCO)n(C)c1=O","Cn1c(n(c2c(c1=O)n(cn2)CCCO)C)=O",{"$nulls":4},238.106590308,"?"]
[4339,"CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC","23184-66-9","CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC","CCCCOCN(C(=O)CCl)c1c(cccc1CC)CC",{"$nulls":4},311.1652067520007,"?"]
[4340,"CCC(CO)(CO)COCC(CC)(CO)CO","23235-61-2","CCC(CO)(CO)COCC(CC)(CO)CO","CCC(CO)(CO)COCC(CC)(CO)CO",{"$nulls":4},250.178023932,"?"]
[4341,"[H+].[Cl-].CNC(=O)Oc1cccc(c1)N=CN(C)C","23422-53-9","CNC(=O)Oc1cccc(N=CN(C)C)c1","CNC(=O)Oc1cc(ccc1)N=CN(C)C","[Cl-]","[H+]",null,null,257.093104432,"?"]
[4342,"CCO[P](=S)(OCC)Oc1cc(C)nc(n1)N(CC)CC","23505-41-1","CCOP(=S)(OCC)Oc1cc(C)nc(N(CC)CC)n1","CCOP(=S)(OCC)Oc1nc(nc(c1)C)N(CC)CC",{"$nulls":4},333.12759925800066,"?"]
[4343,"CO[P](=O)(OC)OC1=C(Cl)C2C=CCC12","23560-59-0","COP(=O)(OC)OC1=C(Cl)C2C=CCC12","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2",{"$nulls":4},250.01617317400002,"?"]
[4344,"COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC","23564-05-8","COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC","COC(=O)NC(=S)Nc1c(cccc1)NC(=S)NC(=O)OC",{"$nulls":4},342.0456469280004,"?"]
[4345,null,"23578-38-3",{"$nulls":7},""]
[4346,"CCCCCCOC(=O)c1cccnc1","23597-82-2","CCCCCCOC(=O)c1cccnc1","CCCCCCOC(=O)c1cnccc1",{"$nulls":4},207.125928784,"?"]
[4347,"O[P](O)(=O)CN(CCCCCCN(C[P](O)(O)=O)C[P](O)(O)=O)C[P](O)(O)=O","23605-74-5","O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O","O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O",{"$nulls":4},492.05927085600064,"?"]
[4348,"CN(C)c1[nH]c2cncnc2n1","23687-23-2","CN(C)c1nc2ncncc2[nH]1","CN(C)c1[nH]c2c(n1)ncnc2",{"$nulls":4},163.08579528799999,"?"]
[4349,null,"23767-00-2",{"$nulls":7},""]
[4350,null,"23789-57-3",{"$nulls":7},""]
[4351,null,"23792-61-2",{"$nulls":7},""]
[4352,"OC(=O)C1=CNC(=O)NC1=O","23945-44-0","O=C(O)c1c[nH]c(=O)[nH]c1=O","O=C(O)c1c([nH]c([nH]c1)=O)=O",{"$nulls":4},156.017106608,"?"]
[4353,"CC(C)(NC(=O)c1cc(Cl)cc(Cl)c1)C#C","23950-58-5","C#CC(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1","C#CC(C)(C)NC(=O)c1cc(cc(c1)Cl)Cl",{"$nulls":4},255.021769332,"?"]
[4354,"CCO[P](=S)(OCC)Oc1ncn(n1)c2ccccc2","24017-47-8","CCOP(=S)(OCC)Oc1ncn(-c2ccccc2)n1","CCOP(=S)(OCC)Oc1nn(cn1)-c2ccccc2",{"$nulls":4},313.06499900200043,"?"]
[4355,null,"24018-57-3",{"$nulls":7},""]
[4356,null,"24093-81-0",{"$nulls":7},""]
[4357,"CC(=O)Nc1ccc(Br)cc1C","24106-05-6","CC(=O)Nc1ccc(Br)cc1C","CC(=O)Nc1c(cc(cc1)Br)C",{"$nulls":4},226.99457604,"?"]
[4358,"CCCO[P](=S)(OCCC)SCC(=O)N1CCCCC1C","24151-93-7","CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C","CCCOP(=S)(OCCC)SCC(=O)N1C(CCCC1)C",{"$nulls":4},353.1248223860008,"?"]
[4359,"CC(C)COCN(C(=O)CCl)c1c(C)cccc1C","24353-58-0","Cc1cccc(C)c1N(COCC(C)C)C(=O)CCl","Cc1c(c(ccc1)C)N(COCC(C)C)C(=O)CCl",{"$nulls":4},283.1339066240006,"?"]
[4360,"CNc1ccc(cc1)[S](O)(=O)=O","24447-99-2","CNc1ccc(S(=O)(=O)O)cc1","CNc1ccc(cc1)S(=O)(=O)O",{"$nulls":4},187.030314148,"?"]
[4361,null,"24487-40-9",{"$nulls":7},""]
[4362,"[Cl-].CCCOC(=O)NCCC[NH+](C)C","24579-73-5","CCCOC(=O)NCCC[NH+](C)C","CCCOC(=O)NCCCN(C)C","[Cl-]",{"$nulls":3},224.129155592,"Structure has been neutralized"]
[4363,"CC1=C(CCCO1)C(=O)Nc2ccccc2","24691-76-7","CC1=C(C(=O)Nc2ccccc2)CCCO1","CC=1OCCCC1C(=O)Nc2ccccc2",{"$nulls":4},217.11027872,"?"]
[4364,"Cc1occc1C(=O)Nc2ccccc2","24691-80-3","Cc1occc1C(=O)Nc1ccccc1","Cc1c(cco1)C(=O)Nc2ccccc2",{"$nulls":4},201.078978592,"?"]
[4365,null,"24767-93-9",{"$nulls":7},""]
[4366,null,"24851-65-8",{"$nulls":7},""]
[4367,"CCCCCC1C(CCC1=O)CC(=O)OC","24851-98-7","CCCCCC1C(=O)CCC1CC(=O)OC","CCCCCC1C(CCC1=O)CC(=O)OC",{"$nulls":4},226.156894564,"?"]
[4368,null,"24863-39-6",{"$nulls":7},""]
[4369,null,"24885-45-8",{"$nulls":7},""]
[4370,null,"24910-68-7",{"$nulls":7},""]
[4371,"Clc1ccc(Cl)c(Oc2ccccc2)c1","24910-69-8","Clc1ccc(Cl)c(Oc2ccccc2)c1","Clc1cc(c(cc1)Cl)Oc2ccccc2",{"$nulls":4},237.995220236,"?"]
[4372,"Clc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1","24910-73-4","Clc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1","Clc1ccc(cc1)Oc2cc(cc(c2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[4373,"CCO[P](=S)(OCC)SCCl","24934-91-6","CCOP(=S)(OCC)SCCl","CCOP(=S)(OCC)SCCl",{"$nulls":4},233.97048593399998,"?"]
[4374,"Cc1cccc(C=C)c1","25013-15-4","C=Cc1cccc(C)c1","C=Cc1cc(ccc1)C",{"$nulls":4},118.07825032,"?"]
[4375,"CC(C)N1C(=O)c2ccccc2N[S]1(=O)=O","25057-89-0","CC(C)N1C(=O)c2ccccc2NS1(=O)=O","CC(C)N1S(Nc2c(C1=O)cccc2)(=O)=O",{"$nulls":4},240.056863244,"?"]
[4376,"CCOC(=O)CN1C(=O)Sc2cccc(Cl)c12","25059-80-7","CCOC(=O)Cn1c(=O)sc2cccc(Cl)c21","CCOC(=O)Cn1c2c(sc1=O)cccc2Cl",{"$nulls":4},271.0069918600003,"?"]
[4377,"OC(=O)COc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O","25141-25-7","O=C(O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","O=C(O)COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},242.01750053199999,"?"]
[4378,"[K+].CCCCCCCCCc1ccccc1[O-]","25154-52-3","CCCCCCCCCc1ccccc1[O-]","CCCCCCCCCc1c(cccc1)O","[K+]",{"$nulls":3},258.13859703599996,"Structure has been neutralized"]
[4379,null,"25154-54-5",{"$nulls":7},""]
[4380,"CC(C)c1ccccc1C","25155-15-1","Cc1ccccc1C(C)C","Cc1c(cccc1)C(C)C",{"$nulls":4},134.109550448,"?"]
[4381,"Oc1ccccc1Cl","25167-80-0","Oc1ccccc1Cl","Oc1c(cccc1)Cl",{"$nulls":4},128.00289246,"?"]
[4382,"ClCc1ccccc1","25168-05-2","ClCc1ccccc1","ClCc1ccccc1",{"$nulls":4},126.023627904,"?"]
[4383,"CCCCC(CC)COC(=O)COc1ccc(Cl)cc1Cl","25168-26-7","CCCCC(CC)COC(=O)COc1ccc(Cl)cc1Cl","CCCCC(CC)COC(=O)COc1c(cc(cc1)Cl)Cl",{"$nulls":4},332.09459992400065,"?"]
[4384,"CCCC=CC","25264-93-1","CC=CCCC","CC=CCCC",{"$nulls":4},84.093900384,"?"]
[4385,"CCC(O)OC(O)CC","25265-71-8","CCC(O)OC(O)CC","CCC(O)OC(O)CC",{"$nulls":4},134.094294308,"?"]
[4386,"CCCCI","25267-27-0","CCCCI","CCCCI",{"$nulls":4},183.974898288,"?"]
[4387,"CCO[P](=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C","25311-71-1","CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C","CCOP(=S)(NC(C)C)Oc1c(cccc1)C(=O)OC(C)C",{"$nulls":4},345.11636587800064,"?"]
[4388,null,"25315-34-8",{"$nulls":7},""]
[4389,null,"25318-84-7",{"$nulls":7},""]
[4390,"CCSC(=O)COc1ccc(Cl)cc1C","25319-90-8","CCSC(=O)COc1ccc(Cl)cc1C","CCSC(=O)COc1c(cc(cc1)Cl)C",{"$nulls":4},244.032478336,"?"]
[4391,"CC(C)c1ccccc1C(C)C","25321-09-9","CC(C)c1ccccc1C(C)C","CC(C)c1c(cccc1)C(C)C",{"$nulls":4},162.140850576,"?"]
[4392,"Cc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O","25321-14-6","Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},182.032756672,"?"]
[4393,"Clc1ccccc1Cl","25321-22-6","Clc1ccccc1Cl","Clc1c(cccc1)Cl",{"$nulls":4},145.969005488,"?"]
[4394,null,"25322-20-7",{"$nulls":7},""]
[4395,null,"25323-89-1",{"$nulls":7},""]
[4396,"CCc1ccccc1CC","25340-17-4","CCc1ccccc1CC","CCc1c(cccc1)CC",{"$nulls":4},134.109550448,"?"]
[4397,"CC(=O)C(=NO)c1ccccc1","25355-34-4","CC(=O)C(=NO)c1ccccc1","CC(=O)C(=NO)c1ccccc1",{"$nulls":4},163.063328528,"?"]
[4398,"CNC(=O)N(C)c1sc(nn1)C(F)(F)F","25366-23-8","CNC(=O)N(C)c1nnc(C(F)(F)F)s1","CNC(=O)N(C)c1sc(nn1)C(F)(F)F",{"$nulls":4},240.029266504,"?"]
[4399,"BrC=CBr","25429-23-6","BrC=CBr","BrC=CBr",{"$nulls":4},183.852324264,"?"]
[4400,"OC(=O)C=Cc1cccc(O)c1","25429-38-3","O=C(O)C=Cc1cccc(O)c1","O=C(O)C=Cc1cc(ccc1)O",{"$nulls":4},164.047344116,"?"]
[4401,"COCC(C)OCC(C)OC(C)CO","25498-49-1","COCC(C)OCC(C)OC(C)CO","COCC(C)OCC(C)OC(C)CO",{"$nulls":4},206.151809184,"?"]
[4402,"Clc1cccc(c2ccccc2)c1Cl","25512-42-9","Clc1cccc(-c2ccccc2)c1Cl","Clc1c(c(ccc1)-c2ccccc2)Cl",{"$nulls":4},222.000305616,"?"]
[4403,"CCc1ccccc1C","25550-14-5","CCc1ccccc1C","CCc1c(cccc1)C",{"$nulls":4},120.093900384,"?"]
[4404,null,"25550-58-7",{"$nulls":7},""]
[4405,"Clc1cccc(c1)c2ccccc2Cl","25569-80-6","Clc1cccc(-c2ccccc2Cl)c1","Clc1cc(ccc1)-c2c(cccc2)Cl",{"$nulls":4},222.000305616,"?"]
[4406,"CC(Br)Br","25620-62-6","CC(Br)Br","CC(Br)Br",{"$nulls":4},185.867974328,"?"]
[4407,"CC(C)c1ccc(cc1)c2ccccc2","25640-78-2","CC(C)c1ccc(-c2ccccc2)cc1","CC(C)c1ccc(cc1)-c2ccccc2",{"$nulls":4},196.125200512,"?"]
[4408,null,"25646-09-7",{"$nulls":7},""]
[4409,"CCC(Cl)(Cl)Cl","25735-29-9","CCC(Cl)(Cl)Cl","CCC(Cl)(Cl)Cl",{"$nulls":4},145.9456832,"?"]
[4410,"CCCCCCO","25917-35-5","CCCCCCO","CCCCCCO",{"$nulls":4},102.104465068,"?"]
[4411,"[NH4+].CCO[P]([O-])(=O)C(N)=O","25954-13-6","CCOP(=O)([O-])C(N)=O","CCOP(=O)(O)C(N)=O","[NH4+]",{"$nulls":3},170.04564346200002,"Structure has been neutralized"]
[4412,"CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C","26002-80-2","CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(ccc2)Oc3ccccc3)(C)C",{"$nulls":4},350.1881946920007,"?"]
[4413,"CSC1=CC(=O)c2ccccc2C1=O","26037-60-5","CSC1=CC(=O)c2ccccc2C1=O","CSC=1C(c2c(C(C1)=O)cccc2)=O",{"$nulls":4},204.024500496,"?"]
[4414,"CC(C)O[P](=O)(OC(C)C)SCc1ccccc1","26087-47-8","CC(C)OP(=O)(OC(C)C)SCc1ccccc1","CC(C)OP(=O)(OC(C)C)SCc1ccccc1","IBP",{"$nulls":3},460.00591728800055,"?"]
[4415,"CCOC1Oc2ccc(O[S](C)(=O)=O)cc2C1(C)C","26225-79-6","CCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C","CCOC1C(c2c(O1)ccc(OS(C)(=O)=O)c2)(C)C",{"$nulls":4},286.0874946760005,"?"]
[4416,"Brc1ccccc1Br","26249-12-7","Brc1ccccc1Br","Brc1c(cccc1)Br",{"$nulls":4},233.867974328,"?"]
[4417,"CCNc1nc(NC(C)CC)nc(OC)n1","26259-45-0","CCNc1nc(NC(C)CC)nc(OC)n1","CCNc1nc(nc(n1)NC(C)CC)OC",{"$nulls":4},225.15896022799998,"?"]
[4418,"CCCN(CC1CC1)c2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","26399-36-0","CCCN(CC1CC1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},347.1092906520004,"?"]
[4419,"CNC(=O)ON=CC1(C)SCC(C)S1","26419-73-8","CNC(=O)ON=CC1(C)SCC(C)S1","CNC(=O)ON=CC1(SC(CS1)C)C",{"$nulls":4},234.049669688,"?"]
[4420,"Cc1ccc(O[P](=O)(Oc2ccccc2)Oc3ccccc3)cc1","26444-49-5","Cc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1","Cc1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3ccccc3",{"$nulls":4},340.0864456540005,"?"]
[4421,"Cc1ccc(O[P](=O)(Oc2ccccc2)Oc3ccccc3C)cc1","26446-73-1","Cc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2C)cc1","Cc1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3c(cccc3)C",{"$nulls":4},354.10209571800056,"?"]
[4422,"CCCCCCCCN1SC=CC1=O","26530-20-1","CCCCCCCCn1sccc1=O","CCCCCCCCn1c(ccs1)=O",{"$nulls":4},213.118735228,"?"]
[4423,"Clc1ccccc1c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","26601-64-9","Clc1ccccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4424,null,"26628-97-7",{"$nulls":7},""]
[4425,null,"26638-19-7",{"$nulls":7},""]
[4426,"FC(F)OC(Cl)C(F)(F)F","26675-46-7","FC(F)OC(Cl)C(F)(F)F","FC(F)OC(Cl)C(F)(F)F",{"$nulls":4},183.971433464,"?"]
[4427,null,"26717-32-8",{"$nulls":7},""]
[4428,"COC(=O)C=C(C)O[P](=O)(OC)OC","26718-65-0","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",{"$nulls":4},224.044974766,"?"]
[4429,"NC(=O)N(c1ccccc1)c2ccccc2","26763-63-3","NC(=O)N(c1ccccc1)c1ccccc1","NC(=O)N(c1ccccc1)c2ccccc2",{"$nulls":4},212.094963004,"?"]
[4430,null,"26767-88-4",{"$nulls":7},""]
[4431,null,"26786-28-7",{"$nulls":7},""]
[4432,"CCCCC#C","26856-30-4","C#CCCCC","C#CCCCC",{"$nulls":4},82.07825032,"?"]
[4433,null,"26914-33-0",{"$nulls":7},""]
[4434,null,"26952-21-6",{"$nulls":7},""]
[4435,null,"26952-23-8",{"$nulls":7},""]
[4436,"CCCC(=O)OCCOCCOCCOC(=O)CCC","26962-26-5","CCCC(=O)OCCOCCOCCOC(=O)CCC","CCCC(=O)OCCOCCOCCOC(=O)CCC",{"$nulls":4},290.17293855200074,"?"]
[4437,null,"26972-01-0",{"$nulls":7},""]
[4438,"Cn1c(C)nc2C(=O)N(C)C(=O)N(C)c12","27038-96-6","Cc1nc2c(=O)n(C)c(=O)n(C)c2n1C","Cc1n(c2c(n1)c(=O)n(C)c(=O)n2C)C",{"$nulls":4},208.096025624,"?"]
[4439,"O=C(OCCCOCCCOC(=O)c1ccccc1)c2ccccc2","27138-31-4","O=C(OCCCOCCCOC(=O)c1ccccc1)c1ccccc1","O=C(OCCCOCCCOC(=O)c1ccccc1)c2ccccc2",{"$nulls":4},342.14672380400066,"?"]
[4440,null,"27147-69-9",{"$nulls":7},""]
[4441,"ClC1CC(Cl)(Cl)C(Cl)C(Cl)C1Cl.ClC2CCC(Cl)(Cl)C(Cl)C2(Cl)Cl.ClC3C(Cl)C(Cl)C(Cl)C(Cl)C3Cl","27154-44-5","ClC1CC(Cl)(Cl)C(Cl)C(Cl)C1Cl","ClC1C(C(C(C(C1)(Cl)Cl)Cl)Cl)Cl","ClC1CCC(Cl)(Cl)C(Cl)C1(Cl)Cl","ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl",null,null,863.5801988160005,"?"]
[4442,"CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C","27178-16-1","CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C","CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C",{"$nulls":4},426.3709100800014,"?"]
[4443,"CCCCCCCCCCC(O)CCC","27196-00-5","CCCCCCCCCCC(O)CCC","CCCCCCCCCCC(O)CCC",{"$nulls":4},214.22966558,"?"]
[4444,"CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F)F","27314-13-2","CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl","CNc1c(c(n(nc1)-c2cc(ccc2)C(F)(F)F)=O)Cl",{"$nulls":4},303.03862424800025,"?"]
[4445,"OCC(O)CO[N+]([O-])=O","27321-61-5","O=[N+]([O-])OCC(O)CO","O=[N+]([O-])OCC(O)CO",{"$nulls":4},137.032422324,"?"]
[4446,"Clc1c(Cl)c(Cl)c2C(=O)OCc2c1Cl","27355-22-2","O=C1OCc2c(Cl)c(Cl)c(Cl)c(Cl)c21","O=C1c2c(CO1)c(Cl)c(Cl)c(Cl)c2Cl",{"$nulls":4},269.88089002400005,"?"]
[4447,"CCOC(=O)Cc1[nH]nc2ccc(Cl)cc12","27512-72-7","CCOC(=O)Cc1[nH]nc2ccc(Cl)cc12","CCOC(=O)Cc1c2c(n[nH]1)ccc(Cl)c2",{"$nulls":4},238.050905272,"?"]
[4448,"ClC(Cl)C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O","27541-88-4","O=C1C(Cl)=C(NC(=O)C(Cl)Cl)C(=O)c2ccccc21","O=C1c2c(C(C(=C1Cl)NC(=O)C(Cl)Cl)=O)cccc2",{"$nulls":4},316.9413260920001,"?"]
[4449,"CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C","27554-26-3","CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C","CC(C)CCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC(C)C",{"$nulls":4},390.2770096960011,"?"]
[4450,"OC(=O)c1cccc(Cl)c1C(O)=O","27563-65-1","O=C(O)c1cccc(Cl)c1C(=O)O","O=C(O)c1c(c(ccc1)Cl)C(=O)O",{"$nulls":4},199.98763632,"?"]
[4451,"C=CCOC1=N[S](=O)(=O)c2ccccc12","27605-76-1","C=CCOC1=NS(=O)(=O)c2ccccc21","C=CCOC=1c2c(S(N1)(=O)=O)cccc2",{"$nulls":4},223.030314148,"?"]
[4452,"CCOC(C)C(=O)C(O)O","27762-78-3","CCOC(C)C(=O)C(O)O","CCOC(C)C(=O)C(O)O",{"$nulls":4},148.073558864,"?"]
[4453,"Brc1ccc(c(Br)c1Br)c2c(Br)c(Br)c(Br)c(Br)c2Br","27858-07-7","Brc1ccc(-c2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br","Brc1c(c(c(cc1)-c2c(c(c(c(c2Br)Br)Br)Br)Br)Br)Br",{"$nulls":4},777.3623468640002,"?"]
[4454,null,"27899-21-4",{"$nulls":7},""]
[4455,null,"28022-64-2",{"$nulls":7},""]
[4456,"CC(C)c1ccccc1O[P](=O)(Oc2ccccc2)Oc3ccccc3","28108-99-8","CC(C)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1","CC(C)c1c(cccc1)OP(=O)(Oc2ccccc2)Oc3ccccc3",{"$nulls":4},368.11774578200055,"?"]
[4457,"S=C1Nc2nc[nH]c2C=N1","28128-19-0","S=c1ncc2[nH]cnc2[nH]1","S=c1[nH]c2c(cn1)[nH]cn2",{"$nulls":4},152.015667128,"?"]
[4458,null,"28174-58-5",{"$nulls":7},""]
[4459,"CN(C)C(=S)Nc1ccc(Cl)cc1C","28217-97-2","Cc1cc(Cl)ccc1NC(=S)N(C)C","Cc1c(ccc(c1)Cl)NC(=S)N(C)C",{"$nulls":4},228.048797096,"?"]
[4460,"CCN(CC)C(=O)SCc1ccc(Cl)cc1","28249-77-6","CCN(CC)C(=O)SCc1ccc(Cl)cc1","CCN(CC)C(=O)SCc1ccc(cc1)Cl",{"$nulls":4},257.064112812,"?"]
[4461,"[O-][N+](=O)c1ccc(Cl)c(c1[N+]([O-])=O)[N+]([O-])=O","28260-61-9","O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1[N+](=O)[O-]","O=[N+]([O-])c1c(c(c(cc1)Cl)[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},246.963212464,"?"]
[4462,"Clc1cccc(Cl)c1Oc2ccccc2","28419-69-4","Clc1cccc(Cl)c1Oc1ccccc1","Clc1c(c(ccc1)Cl)Oc2ccccc2",{"$nulls":4},237.995220236,"?"]
[4463,"CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","28434-01-7","CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(oc2)Cc3ccccc3)(C)C",{"$nulls":4},338.1881946920007,"?"]
[4464,null,"28463-60-7",{"$nulls":7},""]
[4465,null,"28495-88-7",{"$nulls":7},""]
[4466,"CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C","28553-12-0","CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C","CC(C)CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCC(C)C",{"$nulls":4},418.3083098240012,"?"]
[4467,null,"28587-41-9",{"$nulls":7},""]
[4468,null,"28587-42-0",{"$nulls":7},""]
[4469,"Brc1cccc(Br)c1Br","28779-08-0","Brc1cccc(Br)c1Br","Brc1c(c(ccc1)Br)Br",{"$nulls":4},311.77848639600006,"?"]
[4470,null,"29016-74-8",{"$nulls":7},""]
[4471,"CCCCCC(O)CC","29063-28-3","CCCCCC(O)CC","CCCCCC(O)CC",{"$nulls":4},130.135765196,"?"]
[4472,"CCN(CC)c1c(cc(c(N)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","29091-05-2","CCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]","CCN(CC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]",{"$nulls":4},322.0888895560003,"?"]
[4473,"CCCN(CCC)c1c(cc(c(N)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","29091-21-2","CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]","CCCN(CCC)c1c(c(c(cc1[N+](=O)[O-])C(F)(F)F)N)[N+](=O)[O-]",{"$nulls":4},350.1201896840004,"?"]
[4474,"CCN(OC(=O)c1ccccc1)C(=O)c2c(OC)ccc(Cl)c2OC","29104-30-1","CCN(OC(=O)c1ccccc1)C(=O)c1c(OC)ccc(Cl)c1OC","CCN(OC(=O)c1ccccc1)C(=O)c2c(c(ccc2OC)Cl)OC",{"$nulls":4},363.08735035600046,"?"]
[4475,"CC(C)NCC(O)COc1ccc(CC(N)=O)cc1","29122-68-7","CC(C)NCC(O)COc1ccc(CC(N)=O)cc1","CC(C)NCC(O)COc1ccc(cc1)CC(N)=O",{"$nulls":4},266.1630425640003,"?"]
[4476,"CCC(CC)(C(N)=O)C(N)=O","29141-71-7","CCC(CC)(C(N)=O)C(N)=O","CCC(CC)(C(N)=O)C(N)=O",{"$nulls":4},158.105527688,"?"]
[4477,"COC(=O)N(C)C(=O)CS[P](C)(=S)OC","29173-31-7","COC(=O)N(C)C(=O)CSP(C)(=S)OC","COC(=O)N(C)C(=O)CSP(C)(=S)OC",{"$nulls":4},271.0101865580004,"?"]
[4478,"CCN(CC)c1nc(C)cc(O[P](=S)(OC)OC)n1","29232-93-7","CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1","CCN(CC)c1nc(cc(n1)C)OP(=S)(OC)OC",{"$nulls":4},305.09629913000055,"?"]
[4479,"CC(C)c1cccc2ccccc12","29253-36-9","CC(C)c1cccc2ccccc12","CC(C)c1c2c(ccc1)cccc2",{"$nulls":4},170.109550448,"?"]
[4480,"CCCCCCCCCCCCC(O)CCC","29354-98-1","CCCCCCCCCCCCC(O)CCC","CCCCCCCCCCCCC(O)CCC",{"$nulls":4},242.260965708,"?"]
[4481,null,"29415-97-2",{"$nulls":7},""]
[4482,"[Li+].[O-][S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F","29446-15-9","O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F","O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F","[Li+]",{"$nulls":3},505.94567415,"Structure has been neutralized"]
[4483,null,"29475-97-6",{"$nulls":7},""]
[4484,null,"29482-83-5",{"$nulls":7},""]
[4485,null,"29556-17-0",{"$nulls":7},""]
[4486,null,"29556-18-1",{"$nulls":7},""]
[4487,null,"29556-22-7",{"$nulls":7},""]
[4488,null,"29588-10-1",{"$nulls":7},""]
[4489,null,"29596-83-6",{"$nulls":7},""]
[4490,"OC(=O)CNC(=S)SCC(O)=O","29677-65-4","O=C(O)CNC(=S)SCC(=O)O","O=C(O)CNC(=S)SCC(=O)O",{"$nulls":4},208.981649704,"?"]
[4491,null,"29677-71-2",{"$nulls":7},""]
[4492,"CC(C)CCCCCCCO[P](=O)(Oc1ccccc1)Oc2ccccc2","29761-21-5","CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1","CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2",{"$nulls":4},390.19599610200083,"?"]
[4493,"CCCOCC(C)OCC(C)O","29911-27-1","CCCOCC(C)OCC(C)O","CCCOCC(C)OCC(C)O",{"$nulls":4},176.1412445,"?"]
[4494,"CCCCOCC(C)OCC(C)O","29911-28-2","CCCCOCC(C)OCC(C)O","CCCCOCC(C)OCC(C)O",{"$nulls":4},190.156894564,"?"]
[4495,null,"29919-17-3",{"$nulls":7},""]
[4496,"CCSCc1ccccc1OC(=O)NC","29973-13-5","CCSCc1ccccc1OC(=O)NC","CCSCc1c(cccc1)OC(=O)NC",{"$nulls":4},225.08234972,"?"]
[4497,"C1O[CH]1[CH]2CO2","30031-64-2","C1OC1C1CO1","C1C(O1)C2OC2",{"$nulls":4},86.036779432,"?"]
[4498,"CC[S](=O)(=O)c1sc(nn1)N(C)C(=O)NC","30043-49-3","CCS(=O)(=O)c1nnc(N(C)C(=O)NC)s1","CCS(=O)(=O)c1sc(nn1)N(C)C(=O)NC",{"$nulls":4},264.0350822440002,"?"]
[4499,null,"30129-83-0",{"$nulls":7},""]
[4500,null,"30236-28-3",{"$nulls":7},""]
[4501,"C[CH](Oc1cc(Cl)c(Cl)cc1Cl)C(O)=O","30365-50-5","CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O","CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O",{"$nulls":4},267.94607712400017,"?"]
[4502,"CCNc1ncnc(N)n1","30368-49-1","CCNc1ncnc(N)n1","CCNc1nc(ncn1)N",{"$nulls":4},139.08579528799999,"?"]
[4503,"CNc1ncnc(NC)n1","30368-50-4","CNc1ncnc(NC)n1","CNc1nc(ncn1)NC",{"$nulls":4},139.08579528799999,"?"]
[4504,null,"30414-44-9",{"$nulls":7},""]
[4505,"C1O[CH]1[CH]2CO2","30419-67-1","C1OC1C1CO1","C1C(O1)C2OC2",{"$nulls":4},86.036779432,"?"]
[4506,null,"30483-86-4",{"$nulls":7},""]
[4507,"CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO)O2)C(=O)NC1=O","30516-87-1","Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O","Cc1c([nH]c(n(c1)C2OC(C(C2)N=[N+]=[N-])CO)=O)=O",{"$nulls":4},267.09675389600034,"?"]
[4508,"OCCOCCOC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F","30544-47-9","O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1","O=C(OCCOCCO)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F",{"$nulls":4},369.1187927160005,"?"]
[4509,"CO[P](=O)(NC(C)=O)SC","30560-19-1","COP(=O)(NC(C)=O)SC","COP(=O)(NC(C)=O)SC",{"$nulls":4},183.01190081,"?"]
[4510,null,"30564-38-6",{"$nulls":7},""]
[4511,"CCO[P](=S)(OCC)SCN1C(=O)Oc2ccccc12","30725-71-4","CCOP(=S)(OCC)SCn1c(=O)oc2ccccc21","CCOP(=S)(OCC)SCn1c2c(oc1=O)cccc2",{"$nulls":4},333.02583662200044,"?"]
[4512,"Clc1c(Cl)c(Cl)c2Oc3ccccc3Oc2c1Cl","30746-58-8","Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1ccccc1O2","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)cccc3)Cl",{"$nulls":4},319.8965400880001,"?"]
[4513,"C1c2ccccc2c3ccc4ccccc4c13","30777-18-5","c1ccc2c(c1)Cc1c-2ccc2ccccc12","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4",{"$nulls":4},216.093900384,"?"]
[4514,"C1c2ccccc2c3cc4ccccc4cc13","30777-19-6","c1ccc2c(c1)Cc1cc3ccccc3cc1-2","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3",{"$nulls":4},216.093900384,"?"]
[4515,"COC(=O)C(C)=CO[P](=S)(OC)OC","30864-28-9","COC(=O)C(C)=COP(=S)(OC)OC","COC(=O)C(C)=COP(=S)(OC)OC",{"$nulls":4},240.022131146,"?"]
[4516,"CN(CCO)c1nc2N(C)C(=O)N(C)C(=O)c2n1C","30924-31-3","CN(CCO)c1nc2c(c(=O)n(C)c(=O)n2C)n1C","CN(CCO)c1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",{"$nulls":4},267.1331394040003,"?"]
[4517,null,"30952-65-9",{"$nulls":7},""]
[4518,"CC(C)CNC(=O)N1CCNC1=O","30979-48-7","CC(C)CNC(=O)N1CCNC1=O","CC(C)CNC(=O)N1C(NCC1)=O",{"$nulls":4},185.11642672,"?"]
[4519,null,"31090-12-7",{"$nulls":7},""]
[4520,"CN(C(C)=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)NC2[CH](O)OC(CO)[CH](O)C2O)c1I","31112-62-6","CC(=O)Nc1c(I)c(C(=O)NC2C(O)OC(CO)C(O)C2O)c(I)c(N(C)C(C)=O)c1I","CC(=O)Nc1c(c(c(c(c1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(C)=O)I",{"$nulls":4},788.8541086640007,"?"]
[4521,"CCN[P](=S)(OC)OC(C)=CC(=O)OC(C)C","31218-83-4","CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C","CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C",{"$nulls":4},281.0850657500006,"?"]
[4522,null,"31293-71-7",{"$nulls":7},""]
[4523,null,"31355-01-8",{"$nulls":7},""]
[4524,"CCCCC(C)C(C)O","31367-46-1","CCCCC(C)C(C)O","CCCCC(C)C(C)O",{"$nulls":4},130.135765196,"?"]
[4525,"COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3","31431-39-7","COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1","COC(=O)Nc1[nH]c2c(n1)ccc(C(=O)c3ccccc3)c2",{"$nulls":4},295.09569127600037,"?"]
[4526,"Clc1ccc(cc1Cl)c2cc(Cl)c(Cl)cc2Cl","31508-00-6","Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4527,"Cc1cc2cccc3ccc4c5ccccc5cc1c4c23","31647-36-6","Cc1cc2cccc3ccc4c5ccccc5cc1c4c32","Cc1c2cc3c(c4ccc5cccc(c1)c5c42)cccc3",{"$nulls":4},266.1095504480003,"?"]
[4528,"CC(C)(O)CCCC1=CCC(CC1)C=O","31906-04-4","CC(C)(O)CCCC1=CCC(C=O)CC1","CC(C)(O)CCCC=1CCC(CC1)C=O",{"$nulls":4},210.161979944,"?"]
[4529,"Clc1cc(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl","32241-08-0","Clc1cc(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl","Clc1c(c2c(c(c1)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl",{"$nulls":4},365.789793792,"?"]
[4530,"NC1N=C(N)NC(=O)C1=O","32267-39-3","NC1=NC(N)C(=O)C(=O)N1","NC=1NC(C(C(N1)N)=O)=O",{"$nulls":4},142.049075432,"?"]
[4531,null,"32417-81-5",{"$nulls":7},""]
[4532,null,"32430-00-5",{"$nulls":7},""]
[4533,"COc1ccc2NC(=O)C=C(C([O-])=O)c2c1","32431-29-1","COc1ccc2[nH]c(=O)cc(C(=O)[O-])c2c1","COc1cc2c(cc1)[nH]c(=O)cc2C(=O)O",{"$nulls":4},218.045332736,"Structure has been neutralized"]
[4534,"O[CH](C=O)[CH]1OC(=O)[CH](O)[CH]1O","32449-92-6","O=CC(O)C1OC(=O)C(O)C1O","O=CC(O)C1C(C(C(O1)=O)O)O",{"$nulls":4},176.032087976,"?"]
[4535,null,"32460-04-1",{"$nulls":7},""]
[4536,"CC1=CSC(=O)N1","32497-10-2","Cc1csc(=O)[nH]1","Cc1[nH]c(sc1)=O",{"$nulls":4},115.00918478,"?"]
[4537,null,"32503-98-3",{"$nulls":7},""]
[4538,null,"32550-24-6",{"$nulls":7},""]
[4539,"Clc1ccc(c(Cl)c1)c2ccc(Cl)c(Cl)c2","32598-10-0","Clc1ccc(-c2ccc(Cl)c(Cl)c2)c(Cl)c1","Clc1cc(c(cc1)-c2cc(c(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4540,"Clc1ccc(Cl)c(c1)c2ccc(Cl)c(Cl)c2","32598-11-1","Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4541,"Clc1ccc(cc1)c2c(Cl)cc(Cl)cc2Cl","32598-12-2","Clc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(cc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4542,"Clc1ccc(cc1Cl)c2ccc(Cl)c(Cl)c2","32598-13-3","Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1Cl","Clc1c(cc(cc1)-c2cc(c(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4543,"Clc1ccc(cc1Cl)c2ccc(Cl)c(Cl)c2Cl","32598-14-4","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4544,null,"32620-68-1",{"$nulls":7},""]
[4545,null,"32620-72-7",{"$nulls":7},""]
[4546,"Clc1ccc(cc1)c2cc(Cl)c(Cl)cc2Cl","32690-93-0","Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1","Clc1ccc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4547,null,"32737-66-9",{"$nulls":7},""]
[4548,null,"32754-29-3",{"$nulls":7},""]
[4549,"Clc1cc(cc(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2","32774-16-6","Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2cc(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4550,"CC12CC1(C)C(=O)N(C2=O)c3cc(Cl)cc(Cl)c3","32809-16-8","CC12CC1(C)C(=O)N(c1cc(Cl)cc(Cl)c1)C2=O","CC12C(C1)(C)C(=O)N(c3cc(cc(c3)Cl)Cl)C2=O",{"$nulls":4},283.01668395200034,"?"]
[4551,"COc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O","32861-85-1","COc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]","COc1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]",{"$nulls":4},312.9908631280002,"?"]
[4552,"OC(=O)C=Cc1cccc(Br)c1","32862-97-8","O=C(O)C=Cc1cccc(Br)c1","O=C(O)C=Cc1cc(ccc1)Br",{"$nulls":4},225.962941564,"?"]
[4553,"Clc1ccc(cc1)c2ccc(Cl)c(Cl)c2Cl","33025-41-1","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4554,"CN(C=Nc1ccc(C)cc1C)C=Nc2ccc(C)cc2C","33089-61-1","Cc1ccc(N=CN(C)C=Nc2ccc(C)cc2C)c(C)c1","Cc1cc(c(cc1)N=CN(C)C=Nc2c(cc(cc2)C)C)C",{"$nulls":4},293.18919773600066,"?"]
[4555,"Clc1cc(Cl)c(c(Cl)c1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl","33091-17-7","Clc1cc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4556,"CCc1ccccc1NC(C)=O","33098-65-6","CCc1ccccc1NC(C)=O","CCc1c(cccc1)NC(C)=O",{"$nulls":4},163.099714036,"?"]
[4557,"Clc1cccc(Cl)c1c2ccccc2","33146-45-1","Clc1cccc(Cl)c1-c1ccccc1","Clc1c(c(ccc1)Cl)-c2ccccc2",{"$nulls":4},222.000305616,"?"]
[4558,"ClC1=C(Cl)C2(Cl)[CH]3CO[S](=O)OC[CH]3[C]1(Cl)C2(Cl)Cl","33213-65-9","O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},403.81688113200016,"?"]
[4559,"CCCN(CCCl)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","33245-39-5","CCCN(CCCl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},355.05466823600034,"?"]
[4560,"Clc1ccc(c(Cl)c1)c2ccccc2","33284-50-3","Clc1ccc(-c2ccccc2)c(Cl)c1","Clc1cc(c(cc1)-c2ccccc2)Cl",{"$nulls":4},222.000305616,"?"]
[4561,"Clc1cc(Cl)cc(c1)c2cc(Cl)cc(Cl)c2","33284-52-5","Clc1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2)c1","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4562,"Clc1cc(c2ccccc2)c(Cl)c(Cl)c1Cl","33284-53-6","Clc1cc(-c2ccccc2)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2ccccc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4563,"Clc1cc(Cl)c(Cl)c(c2ccccc2)c1Cl","33284-54-7","Clc1cc(Cl)c(Cl)c(-c2ccccc2)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2ccccc2)Cl",{"$nulls":4},289.92236091200016,"?"]
[4564,null,"33376-25-9",{"$nulls":7},""]
[4565,"Clc1cc(Cl)c2Oc3cc(Cl)cc(Cl)c3Oc2c1","33423-92-6","Clc1cc(Cl)c2c(c1)Oc1c(Cl)cc(Cl)cc1O2","Clc1cc2c(c(c1)Cl)Oc3c(O2)c(Cl)cc(Cl)c3",{"$nulls":4},319.8965400880001,"?"]
[4566,null,"33492-49-8",{"$nulls":7},""]
[4567,"CCC(C)C(NC(C)=O)C(O)=O","33601-90-0","CCC(C)C(NC(C)=O)C(=O)O","CCC(C)C(NC(C)=O)C(=O)O",{"$nulls":4},173.10519334,"?"]
[4568,"CCC(C)Nc1c(cc(cc1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O","33629-47-9","CCC(C)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]","CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]",{"$nulls":4},295.15320615200056,"?"]
[4569,"CCNc1nc(NC(C)(C)C)nc(OC)n1","33693-04-8","CCNc1nc(NC(C)(C)C)nc(OC)n1","CCNc1nc(nc(n1)NC(C)(C)C)OC",{"$nulls":4},225.15896022799998,"?"]
[4570,"CC(=O)c1cc(O)c(O)c(O)c1","33709-29-4","CC(=O)c1cc(O)c(O)c(O)c1","CC(=O)c1cc(c(c(c1)O)O)O",{"$nulls":4},168.042258736,"?"]
[4571,null,"33739-01-4",{"$nulls":7},""]
[4572,"CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)C(C)C)[N+]([O-])=O","33820-53-0","CCCN(CCC)c1c([N+](=O)[O-])cc(C(C)C)cc1[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-]",{"$nulls":4},309.1688562160006,"?"]
[4573,"Clc1ccc2Oc3cc(Cl)ccc3Oc2c1","33857-26-0","Clc1ccc2c(c1)Oc1ccc(Cl)cc1O2","Clc1cc2c(cc1)Oc3c(O2)ccc(Cl)c3",{"$nulls":4},251.974484792,"?"]
[4574,"NN[P](=O)(Oc1ccccc1)Oc2ccccc2","33862-44-1","NNP(=O)(Oc1ccccc1)Oc1ccccc1","NNP(=O)(Oc1ccccc1)Oc2ccccc2",{"$nulls":4},264.06637890600024,"?"]
[4575,"Clc1cc(Cl)c(c(Cl)c1)c2c(Cl)cc(Cl)cc2Cl","33979-03-2","Clc1cc(Cl)c(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4576,"CNC(=O)N(C)c1sc(nn1)C(C)(C)C","34014-18-1","CNC(=O)N(C)c1nnc(C(C)(C)C)s1","CNC(=O)N(C)c1sc(nn1)C(C)(C)C",{"$nulls":4},228.104482132,"?"]
[4577,"COC(=O)C[S](=O)(=O)c1ccccc1","34097-60-4","COC(=O)CS(=O)(=O)c1ccccc1","COC(=O)CS(=O)(=O)c1ccccc1",{"$nulls":4},214.0299798,"?"]
[4578,null,"34101-08-1",{"$nulls":7},""]
[4579,"CC(C)c1ccc(NC(=O)N(C)C)cc1","34123-59-6","CC(C)c1ccc(NC(=O)N(C)C)cc1","CC(C)c1ccc(cc1)NC(=O)N(C)C",{"$nulls":4},206.141913196,"?"]
[4580,null,"34163-34-3",{"$nulls":7},""]
[4581,null,"34168-73-5",{"$nulls":7},""]
[4582,"COc1ccc(cc1)C(C(C)[N+]([O-])=O)c2ccc(OC)cc2","34197-26-7","COc1ccc(C(c2ccc(OC)cc2)C(C)[N+](=O)[O-])cc1","COc1ccc(cc1)C(c2ccc(cc2)OC)C(C)[N+](=O)[O-]",{"$nulls":4},301.1314080880005,"?"]
[4583,"CN(C)C(=O)Nc1ccc(N2N=C(OC2=O)C(C)(C)C)c(Cl)c1","34205-21-5","CN(C)C(=O)Nc1ccc(-n2nc(C(C)(C)C)oc2=O)c(Cl)c1","CN(C)C(=O)Nc1cc(c(cc1)-n2c(oc(n2)C(C)(C)C)=O)Cl",{"$nulls":4},338.1145681480005,"?"]
[4584,"CCOCN(C(=O)CCl)c1c(C)cccc1CC","34256-82-1","CCOCN(C(=O)CCl)c1c(C)cccc1CC","CCOCN(C(=O)CCl)c1c(cccc1C)CC",{"$nulls":4},269.11825656000036,"?"]
[4585,"CC(C)c1cc(O[P](=O)(Oc2ccccc2)Oc3ccccc3)cc(c1)c4ccccc4","34364-42-6","CC(C)c1cc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc(-c2ccccc2)c1","CC(C)c1cc(cc(c1)OP(=O)(Oc2ccccc2)Oc3ccccc3)-c4ccccc4",{"$nulls":4},444.1490459100007,"?"]
[4586,null,"34392-82-0",{"$nulls":7},""]
[4587,"Clc1cc(Br)c(OC(=O)C=C)c2ncccc12","34462-96-9","C=CC(=O)Oc1c(Br)cc(Cl)c2cccnc12","C=CC(=O)Oc1c2c(c(cc1Br)Cl)cccn2",{"$nulls":4},310.9348682440002,"?"]
[4588,null,"34465-46-8",{"$nulls":7},""]
[4589,null,"34472-57-6",{"$nulls":7},""]
[4590,null,"34494-03-6",{"$nulls":7},""]
[4591,"COC(C)COC(C)CO","34590-94-8","COC(C)COC(C)CO","COC(C)COC(C)CO",{"$nulls":4},148.109944372,"?"]
[4592,"CCN(CC)C(=O)SCc1ccccc1Cl","34622-58-7","CCN(CC)C(=O)SCc1ccccc1Cl","CCN(CC)C(=O)SCc1c(cccc1)Cl",{"$nulls":4},257.064112812,"?"]
[4593,"CCCS[P](=S)(OCC)Oc1ccc(Cl)cc1Cl","34643-46-4","CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl","CCCSP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl",{"$nulls":4},343.96281371000043,"?"]
[4594,"CNC(=O)ON=C(C)C(C)SC","34681-10-2","CNC(=O)ON=C(C)C(C)SC","CNC(=O)ON=C(C)C(C)SC",{"$nulls":4},190.077598688,"?"]
[4595,"CNC(=O)ON=C(C)C(C)[S](C)(=O)=O","34681-23-7","CNC(=O)ON=C(C)C(C)S(C)(=O)=O","CNC(=O)ON=C(C)C(C)S(C)(=O)=O",{"$nulls":4},222.067427928,"?"]
[4596,"CO[P](=O)(OC)OC1=C(Cl)CC2C=CC12","34783-40-9","COP(=O)(OC)OC1=C(Cl)CC2C=CC12","COP(=O)(OC)OC=1C2C(CC1Cl)C=C2",{"$nulls":4},250.01617317400002,"?"]
[4597,null,"34833-00-6",{"$nulls":7},""]
[4598,null,"34861-84-2",{"$nulls":7},""]
[4599,null,"34866-32-5",{"$nulls":7},""]
[4600,"Clc1ccc(Cl)c(c1)c2ccccc2","34883-39-1","Clc1ccc(Cl)c(-c2ccccc2)c1","Clc1cc(c(cc1)Cl)-c2ccccc2",{"$nulls":4},222.000305616,"?"]
[4601,"Clc1ccc(cc1)c2ccccc2Cl","34883-43-7","Clc1ccc(-c2ccccc2Cl)cc1","Clc1ccc(cc1)-c2c(cccc2)Cl",{"$nulls":4},222.000305616,"?"]
[4602,null,"34900-10-2",{"$nulls":7},""]
[4603,"OC(=O)CSC(SCC(O)=O)SCC(O)=O","34914-39-1","O=C(O)CSC(SCC(=O)O)SCC(=O)O","O=C(O)CSC(SCC(=O)O)SCC(=O)O",{"$nulls":4},285.96395104000027,"?"]
[4604,"Clc1cc(Cl)c(cc1Cl)c2cc(Cl)c(Cl)cc2Cl","35065-27-1","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4605,"Clc1ccc(c(Cl)c1Cl)c2cc(Cl)c(Cl)cc2Cl","35065-28-2","Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4606,"Clc1cc(Cl)c(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl","35065-29-3","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4607,"Clc1ccc(c(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl","35065-30-6","Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4608,null,"35224-54-5",{"$nulls":7},""]
[4609,"CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C","35256-85-0","CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C","CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C",{"$nulls":4},233.177964356,"?"]
[4610,"OC(=O)CCCNC(=O)c1ccccc1","35340-63-7","O=C(O)CCCNC(=O)c1ccccc1","O=C(O)CCCNC(=O)c1ccccc1",{"$nulls":4},207.089543276,"?"]
[4611,"Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2","35367-38-5","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)cc1","O=C(NC(=O)c1c(cccc1F)F)Nc2ccc(cc2)Cl",{"$nulls":4},310.03206164800025,"?"]
[4612,"CCC(C(CC)C(O)=O)C(O)=O","35392-80-4","CCC(C(=O)O)C(CC)C(=O)O","CCC(C(=O)O)C(CC)C(=O)O",{"$nulls":4},174.089208928,"?"]
[4613,"CCCS[P](=S)(OCC)Oc1ccc(SC)cc1","35400-43-2","CCCSP(=S)(OCC)Oc1ccc(SC)cc1","CCCSP(=S)(OCC)Oc1ccc(cc1)SC",{"$nulls":4},322.0284794780006,"?"]
[4614,null,"35458-35-6",{"$nulls":7},""]
[4615,"Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1","35554-44-0","C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl","C=CCOC(Cn1cncc1)c2c(cc(cc2)Cl)Cl",{"$nulls":4},296.04831842800036,"?"]
[4616,"C[CH](NC(=O)[CH](C)NC(=O)[CH](N)CC[P](C)(O)=O)C(O)=O","35597-43-4","CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O","CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O",{"$nulls":4},323.12462205400055,"?"]
[4617,"Clc1cc(Cl)c(c(Cl)c1)c2ccccc2","35693-92-6","Clc1cc(Cl)c(-c2ccccc2)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2ccccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4618,"Clc1ccc(Cl)c(c1)c2cc(Cl)ccc2Cl","35693-99-3","Clc1ccc(Cl)c(-c2cc(Cl)ccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(ccc(c2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4619,"Clc1ccc(c(Cl)c1)c2cc(Cl)c(Cl)c(Cl)c2Cl","35694-06-5","Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4620,"Clc1cc(c(Cl)c(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl","35694-08-7","Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4621,null,"35763-45-2",{"$nulls":7},""]
[4622,null,"35781-54-5",{"$nulls":7},""]
[4623,"Clc1cc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2c(Cl)c1Cl","35822-46-9","Clc1cc2c(c(Cl)c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(c(c2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",{"$nulls":4},421.77962303199996,"?"]
[4624,null,"36088-22-9",{"$nulls":7},""]
[4625,"CN1C(=C(O)Nc2ccccn2)C(=O)c3ccccc3[S]1(=O)=O","36322-90-4","CN1C(=C(O)Nc2ccccn2)C(=O)c2ccccc2S1(=O)=O","CN1S(c2c(C(C1=C(O)Nc3ncccc3)=O)cccc2)(=O)=O",{"$nulls":4},331.0626768960003,"?"]
[4626,"OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2","36330-85-5","O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1","O=C(O)CCC(=O)c1ccc(cc1)-c2ccccc2",{"$nulls":4},254.094294308,"?"]
[4627,"CCO[P](=S)(NC(C)CC)Oc1cc(C)ccc1[N+]([O-])=O","36335-67-8","CCOP(=S)(NC(C)CC)Oc1cc(C)ccc1[N+](=O)[O-]","CCOP(=S)(NC(C)CC)Oc1c(ccc(c1)C)[N+](=O)[O-]",{"$nulls":4},332.0959647820005,"?"]
[4628,"Brc1ccc(c(Br)c1Br)c2ccc(Br)c(Br)c2Br","36355-01-8","Brc1ccc(-c2ccc(Br)c(Br)c2Br)c(Br)c1Br","Brc1c(c(c(cc1)-c2c(c(c(cc2)Br)Br)Br)Br)Br",{"$nulls":4},621.5413227280002,"?"]
[4629,"Brc1cc(Br)c(Oc2cc(Br)cc(Br)c2Br)c(Br)c1","36483-60-0","Brc1cc(Br)c(Oc2cc(Br)cc(Br)c2Br)c(Br)c1","Brc1cc(c(c(c1)Br)Oc2c(c(cc(c2)Br)Br)Br)Br",{"$nulls":4},637.5362373480002,"?"]
[4630,"CCO[P](=O)(Oc1ccc(Cl)cc1Cl)Oc2ccc(Cl)cc2Cl","36519-00-3","CCOP(=O)(Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl","CCOP(=O)(Oc1c(cc(cc1)Cl)Cl)Oc2c(cc(cc2)Cl)Cl",{"$nulls":4},413.91490618200027,"?"]
[4631,"Clc1ccc(c(Cl)c1)c2cccc(Cl)c2Cl","36559-22-5","Clc1ccc(-c2cccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(ccc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4632,null,"36566-80-0",{"$nulls":7},""]
[4633,"CO[P](=S)(OC)SCCSC(C)C","36614-38-7","COP(=S)(OC)SCCSC(C)C","COP(=S)(OC)SCCSC(C)C",{"$nulls":4},260.0128294140001,"?"]
[4634,null,"36634-48-7",{"$nulls":7},""]
[4635,"CCCCCCCCCCCCCCCCO","36653-82-4","CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCO",{"$nulls":4},242.260965708,"?"]
[4636,"CC(C)NC(=O)N1CC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2","36734-19-7","CC(C)NC(=O)N1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CC(C)NC(=O)N1C(N(C(C1)=O)c2cc(cc(c2)Cl)Cl)=O",{"$nulls":4},329.03339663600036,"?"]
[4637,"CCC(C)N(C(C)CC)C(=O)SCc1ccccc1","36756-79-3","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC",{"$nulls":4},279.1656854200006,"?"]
[4638,"NC(=O)c1cc(Cl)cc(Cl)c1N","36765-01-2","NC(=O)c1cc(Cl)cc(Cl)c1N","NC(=O)c1c(c(cc(c1)Cl)Cl)N",{"$nulls":4},203.985718172,"?"]
[4639,"NC(=O)c1ncn(n1)[CH]2O[CH](CO)[CH](O)[CH]2O","36791-04-5","NC(=O)c1ncn(C2OC(CO)C(O)C2O)n1","NC(=O)c1nn(cn1)C2C(C(C(O2)CO)O)O",{"$nulls":4},244.080769484,"?"]
[4640,"CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(N)=O","36894-69-6","CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1","CC(CCc1ccccc1)NCC(O)c2cc(c(cc2)O)C(N)=O",{"$nulls":4},328.1786926280007,"?"]
[4641,null,"37139-21-2",{"$nulls":7},""]
[4642,"OC[CH]1C[CH](N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O","37248-47-8","OCC1=CC(NC2CC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O","OCC=1C(C(C(C(C1)NC2C(C(C(C(C2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O",{"$nulls":4},497.21084018000084,"?"]
[4643,"COCCc1ccc(OCC(O)CNC(C)C)cc1","37350-58-6","COCCc1ccc(OCC(O)CNC(C)C)cc1","COCCc1ccc(cc1)OCC(O)CNC(C)C",{"$nulls":4},267.1834436600003,"?"]
[4644,null,"37433-80-0",{"$nulls":7},""]
[4645,"NCC[CH](O)C(=O)N[CH]1C[CH](N)[CH](O[CH]2O[CH](CN)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](N)[CH]3O","37517-28-5","NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O","NCCC(O)C(=O)NC1C(C(C(C(C1)N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O",{"$nulls":4},585.285736436001,"?"]
[4646,"NC(=O)N[CH](Cc1ccccc1)C([O-])=O","37534-65-9","NC(=O)NC(Cc1ccccc1)C(=O)[O-]","NC(=O)NC(Cc1ccccc1)C(=O)O",{"$nulls":4},207.076967212,"Structure has been neutralized"]
[4647,null,"37538-67-3",{"$nulls":7},""]
[4648,"Clc1ccc(Cl)c(c1)c2ccccc2Cl","37680-65-2","Clc1ccc(Cl)c(-c2ccccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4649,"Clc1ccc(c(Cl)c1)c2ccccc2Cl","37680-66-3","Clc1ccc(-c2ccccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4650,"Clc1cc(Cl)cc(c1)c2ccccc2Cl","37680-68-5","Clc1cc(Cl)cc(-c2ccccc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4651,"Clc1ccc(Cl)c(c1)c2cc(Cl)c(Cl)cc2Cl","37680-73-2","Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4652,"ClC(Cl)C(=O)N(CC=C)CC=C","37764-25-3","C=CCN(CC=C)C(=O)C(Cl)Cl","C=CCN(CC=C)C(=O)C(Cl)Cl",{"$nulls":4},207.021769332,"?"]
[4653,"C[CH](CCl)[N+]([O-])=O","37809-02-2","CC(CCl)[N+](=O)[O-]","CC(CCl)[N+](=O)[O-]",{"$nulls":4},123.008706112,"?"]
[4654,"Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1","37853-59-1","Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1","Brc1cc(c(c(c1)Br)OCCOc2c(cc(cc2Br)Br)Br)Br",{"$nulls":4},681.5624520960004,"?"]
[4655,null,"37871-00-4",{"$nulls":7},""]
[4656,"COCCO[Si](CCCl)(OCCOC)OCCOC","37894-46-5","COCCO[Si](CCCl)(OCCOC)OCCOC","COCCO[Si](CCCl)(OCCOC)OCCOC",{"$nulls":4},316.11089273000067,"?"]
[4657,"Cc1cc(ccc1N[S](=O)(=O)C(F)(F)F)[S](=O)(=O)c2ccccc2","37924-13-3","Cc1cc(S(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)C(F)(F)F","Cc1c(ccc(c1)S(=O)(=O)c2ccccc2)NS(=O)(=O)C(F)(F)F",{"$nulls":4},379.01598452400026,"?"]
[4658,null,"37962-15-5",{"$nulls":7},""]
[4659,"CCOC(=O)C1=CNC(=S)NC1=O","38026-46-9","CCOC(=O)c1c[nH]c(=S)[nH]c1=O","CCOC(=O)c1c([nH]c([nH]c1)=S)=O",{"$nulls":4},200.025563116,"?"]
[4660,null,"38062-65-6",{"$nulls":7},""]
[4661,null,"38062-69-0",{"$nulls":7},""]
[4662,"CC(O)(CO)C(O)[C]12NC(=O)[C](O)(NC1=O)C(=C)CCO2","38129-37-2","C=C1CCOC2(C(O)C(C)(O)CO)NC(=O)C1(O)NC2=O","C=C1C2(C(NC(OCC1)(C(N2)=O)C(O)C(C)(O)CO)=O)O",{"$nulls":4},302.1114009160005,"?"]
[4663,null,"38206-98-3",{"$nulls":7},""]
[4664,"CCOc1cc(O[P](=S)(OC)OC)nc(CC)n1","38260-54-7","CCOc1cc(OP(=S)(OC)OC)nc(CC)n1","CCOc1nc(nc(c1)OP(=S)(OC)OC)CC",{"$nulls":4},292.0646646540005,"?"]
[4665,"NC1=CC(=NC(=N)N1O)N2CCCCC2","38304-91-5","N=c1nc(N2CCCCC2)cc(N)n1O","N=c1n(c(cc(n1)N2CCCCC2)N)O",{"$nulls":4},209.12766009999999,"?"]
[4666,"CC(C)(C)NC[CH](O)COc1ccccc1C2CCCC2","38363-40-5","CC(C)(C)NCC(O)COc1ccccc1C1CCCC1","CC(C)(C)NCC(O)COc1c(cccc1)C2CCCC2",{"$nulls":4},291.21982916800084,"?"]
[4667,"Clc1ccc(Cl)c(c1)c2c(Cl)ccc(Cl)c2Cl","38379-99-6","Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4668,"Clc1ccc(c(Cl)c1)c2cc(Cl)c(Cl)cc2Cl","38380-01-7","Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4669,"Clc1ccc(Cl)c(c1)c2ccc(Cl)c(Cl)c2Cl","38380-02-8","Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4670,"Clc1ccc(cc1Cl)c2c(Cl)ccc(Cl)c2Cl","38380-03-9","Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4671,"Clc1ccc(Cl)c(c1Cl)c2cc(Cl)c(Cl)cc2Cl","38380-04-0","Clc1cc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4672,"Clc1ccc(c(Cl)c1Cl)c2c(Cl)ccc(Cl)c2Cl","38380-05-1","Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4673,"Clc1ccc(c(Cl)c1Cl)c2ccc(Cl)c(Cl)c2Cl","38380-07-3","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4674,"Clc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl","38380-08-4","Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4675,"Clc1ccc(Cl)c(c1Cl)c2c(Cl)ccc(Cl)c2Cl","38411-22-2","Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4676,"Clc1ccc(Cl)c(c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl","38411-25-5","Clc1cc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4677,"Clc1ccccc1c2c(Cl)cccc2Cl","38444-73-4","Clc1ccccc1-c1c(Cl)cccc1Cl","Clc1c(cccc1)-c2c(cccc2Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4678,"Clc1cccc(c1)c2c(Cl)cccc2Cl","38444-76-7","Clc1cccc(-c2c(Cl)cccc2Cl)c1","Clc1cc(ccc1)-c2c(cccc2Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4679,"Clc1ccc(cc1)c2c(Cl)cccc2Cl","38444-77-8","Clc1ccc(-c2c(Cl)cccc2Cl)cc1","Clc1ccc(cc1)-c2c(cccc2Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4680,"Clc1cccc(c1Cl)c2ccccc2Cl","38444-78-9","Clc1ccccc1-c1cccc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(ccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4681,"Clc1cccc(c1)c2cc(Cl)ccc2Cl","38444-81-4","Clc1cccc(-c2cc(Cl)ccc2Cl)c1","Clc1cc(ccc1)-c2c(ccc(c2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4682,"Clc1ccc(cc1)c2cccc(Cl)c2Cl","38444-85-8","Clc1ccc(-c2cccc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(ccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4683,"Clc1ccc(cc1Cl)c2ccccc2Cl","38444-86-9","Clc1ccc(-c2ccccc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4684,"Clc1ccc(cc1)c2ccc(Cl)c(Cl)c2","38444-90-5","Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1","Clc1ccc(cc1)-c2cc(c(cc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4685,"Clc1cccc(c1Cl)c2cccc(Cl)c2Cl","38444-93-8","Clc1cccc(-c2cccc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(ccc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4686,null,"38543-66-7",{"$nulls":7},""]
[4687,"CC([S](C)(=O)=O)[S](C)(=O)=O","38564-69-1","CC(S(C)(=O)=O)S(C)(=O)=O","CC(S(C)(=O)=O)S(C)(=O)=O",{"$nulls":4},186.0020508,"?"]
[4688,null,"38580-22-2",{"$nulls":7},""]
[4689,null,"38605-63-9",{"$nulls":7},""]
[4690,null,"38624-46-3",{"$nulls":7},""]
[4691,null,"38640-62-9",{"$nulls":7},""]
[4692,"CC(C)N.OC(=O)CNC[P](O)(O)=O","38641-94-0","O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O","CC(C)N",{"$nulls":3},228.087508274,"?"]
[4693,"CCOC(=O)CN(C(=O)CCl)c1c(CC)cccc1CC","38727-55-8","CCOC(=O)CN(C(=O)CCl)c1c(CC)cccc1CC","CCOC(=O)CN(C(=O)CCl)c1c(cccc1CC)CC",{"$nulls":4},311.1288212440006,"?"]
[4694,null,"38739-06-9",{"$nulls":7},""]
[4695,null,"38753-34-3",{"$nulls":7},""]
[4696,null,"38765-78-5",{"$nulls":7},""]
[4697,null,"38771-96-9",{"$nulls":7},""]
[4698,"O.O.CC1=C(N2[CH](SC1)[CH](NC(=O)[CH](N)C3=CCC=CC3)C2=O)C(O)=O","38821-53-3","CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)C3=CCC=CC3)C2SC1","CC=1CSC2N(C1C(=O)O)C(=O)C2NC(=O)C(N)C=3CC=CCC3","O","O",null,null,385.1307564560004,"?"]
[4699,null,"38836-20-3",{"$nulls":7},""]
[4700,"Clc1ccc2Oc3ccc(Cl)cc3Oc2c1","38964-22-6","Clc1ccc2c(c1)Oc1cc(Cl)ccc1O2","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)cc3",{"$nulls":4},251.974484792,"?"]
[4701,null,"38996-13-3",{"$nulls":7},""]
[4702,"Clc1c(Cl)c(Cl)c2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c23)c1Cl","39001-02-0","Clc1c(Cl)c(Cl)c2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c32)c1Cl","Clc1c(c2c(c(c1Cl)Cl)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",{"$nulls":4},439.74573605999996,"?"]
[4703,null,"39121-35-2",{"$nulls":7},""]
[4704,"[Al+3].CCO[P](=O)=O.CCO[P](=O)=O.CCO[P](=O)=O","39148-24-8","CCOP(=O)=O","CCOP(=O)=O","CCOP(=O)=O","CCOP(=O)=O","[Al+3]",null,350.97443058000005,"?"]
[4705,"CNC(=O)ON=C(CSC)C(C)(C)C","39196-18-4","CNC(=O)ON=C(CSC)C(C)(C)C","CNC(=O)ON=C(CSC)C(C)(C)C",{"$nulls":4},218.108898816,"?"]
[4706,"Clc1cc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2cc1Cl","39227-28-6","Clc1cc2c(cc1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",{"$nulls":4},387.818595384,"?"]
[4707,"Clc1cccc2Oc3ccccc3Oc12","39227-53-7","Clc1cccc2c1Oc1ccccc1O2","Clc1c2c(ccc1)Oc3c(O2)cccc3",{"$nulls":4},218.013457144,"?"]
[4708,"Clc1ccc2Oc3ccccc3Oc2c1","39227-54-8","Clc1ccc2c(c1)Oc1ccccc1O2","Clc1cc2c(cc1)Oc3c(O2)cccc3",{"$nulls":4},218.013457144,"?"]
[4709,"Clc1cc(Cl)c2Oc3ccccc3Oc2c1Cl","39227-58-2","Clc1cc(Cl)c2c(c1Cl)Oc1ccccc1O2","Clc1c(c2c(c(c1)Cl)Oc3c(O2)cccc3)Cl",{"$nulls":4},285.93551244000014,"?"]
[4710,"Clc1ccc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2c1","39227-61-7","Clc1ccc2c(c1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Clc1cc2c(cc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl",{"$nulls":4},353.8575677360001,"?"]
[4711,null,"39300-45-3",{"$nulls":7},""]
[4712,"Clc1ccc(c(Cl)c1)c2c(Cl)cc(Cl)cc2Cl","39485-83-1","Clc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4713,"CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","39515-40-7","CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC(C)=CC1C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C",{"$nulls":4},375.1834436600007,"?"]
[4714,"CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","39515-41-8","CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C",{"$nulls":4},349.16779359600065,"?"]
[4715,null,"39517-97-0",{"$nulls":7},""]
[4716,null,"39529-95-8",{"$nulls":7},""]
[4717,"COC(=O)[CH]1C2CC(C=C2)[CH]1C(=O)OC","39589-98-5","COC(=O)C1C2C=CC(C2)C1C(=O)OC","COC(=O)C1C(C2C=CC1C2)C(=O)OC",{"$nulls":4},210.089208928,"?"]
[4718,"CNC(=O)N(C)C(=O)CC#N","39615-79-7","CNC(=O)N(C)C(=O)CC#N","CNC(=O)N(C)C(=O)CC#N",{"$nulls":4},155.069476528,"?"]
[4719,"Clc1cc(cc(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl","39635-31-9","Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4720,null,"39764-27-7",{"$nulls":7},""]
[4721,"CC(C)(C)C1=NN(C(=O)O1)c2cc(OCC#C)c(Cl)cc2Cl","39807-15-3","C#CCOc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl","C#CCOc1c(cc(c(c1)-n2c(oc(n2)C(C)(C)C)=O)Cl)Cl",{"$nulls":4},340.03814766800036,"?"]
[4722,"CCN1C(=O)N(C)c2ncn(C)c2C1=O","39832-36-5","CCn1c(=O)c2c(ncn2C)n(C)c1=O","CCn1c(n(c2c(c1=O)n(cn2)C)C)=O",{"$nulls":4},208.096025624,"?"]
[4723,"CCO[P](=O)(OCC)SCN1N=Nc2ccccc2C1=O","39923-25-6","CCOP(=O)(OCC)SCn1nnc2ccccc2c1=O","CCOP(=O)(OCC)SCn1c(c2c(nn1)cccc2)=O",{"$nulls":4},329.05991362200047,"?"]
[4724,null,"39978-21-7",{"$nulls":7},""]
[4725,null,"40078-42-0",{"$nulls":7},""]
[4726,"ClCCC(Cl)O[P](=O)(OC(Cl)CCCl)OC(Cl)CCCl","40120-74-9","O=P(OC(Cl)CCCl)(OC(Cl)CCCl)OC(Cl)CCCl","O=P(OC(Cl)CCCl)(OC(Cl)CCCl)OC(Cl)CCCl",{"$nulls":4},427.8839116700004,"?"]
[4727,"Clc1cc(Cl)c(Cl)c(c1)c2c(Cl)cc(Cl)c(Cl)c2Cl","40186-70-7","Clc1cc(Cl)c(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4728,"Clc1cc(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl","40186-71-8","Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4729,"Clc1cc(c(Cl)c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","40186-72-9","Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},459.727499152,"?"]
[4730,null,"40437-08-9",{"$nulls":7},""]
[4731,"OC(=O)CNC[P](O)(O)=O","40465-66-5","O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O",{"$nulls":4},169.014008986,"?"]
[4732,"CCC(CC)Nc1c(cc(C)c(C)c1[N+]([O-])=O)[N+]([O-])=O","40487-42-1","CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-]","CCC(CC)Nc1c(c(c(cc1[N+](=O)[O-])C)C)[N+](=O)[O-]",{"$nulls":4},281.1375560880005,"?"]
[4733,"COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C","40596-69-8","COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C","COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C",{"$nulls":4},310.25079494800093,"?"]
[4734,null,"40617-52-5",{"$nulls":7},""]
[4735,null,"41047-52-3",{"$nulls":7},""]
[4736,"C1CCC(CC1)[Sn](|n2cncn2)(C3CCCCC3)C4CCCCC4","41083-11-8",{"$nulls":7},""]
[4737,"CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","41096-46-2","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",{"$nulls":4},266.2245802000003,"?"]
[4738,"CCCS[P](=O)(OCC)Oc1ccc(Br)cc1Cl","41198-08-7","CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl","CCCSP(=O)(OCC)Oc1c(cc(cc1)Br)Cl",{"$nulls":4},371.9351417500004,"?"]
[4739,"CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","41205-09-8","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",{"$nulls":4},266.2245802000003,"?"]
[4740,"Fc1ccc(cc1)N2C(=O)C(=C(Cl)C2=O)Cl","41205-21-4","O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(F)cc1","O=C1N(C(C(=C1Cl)Cl)=O)c2ccc(cc2)F",{"$nulls":4},258.9603119480001,"?"]
[4741,"COc1ccc(cc1C)C(=O)c2cccc(C)c2","41295-28-7","COc1ccc(C(=O)c2cccc(C)c2)cc1C","COc1c(cc(cc1)C(=O)c2cc(ccc2)C)C",{"$nulls":4},240.115029752,"?"]
[4742,null,"41356-13-2",{"$nulls":7},""]
[4743,"CC1=NN=C(c2ccccc2)C(=O)N1N","41394-05-2","Cc1nnc(-c2ccccc2)c(=O)n1N","Cc1n(c(c(nn1)-c2ccccc2)=O)N",{"$nulls":4},202.08546094,"?"]
[4744,"Clc1ccc(Cl)c(c1)c2cccc(Cl)c2Cl","41464-39-5","Clc1ccc(Cl)c(-c2cccc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(ccc2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4745,"Clc1ccc(c(Cl)c1)c2cc(Cl)ccc2Cl","41464-40-8","Clc1ccc(-c2cc(Cl)ccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(ccc(c2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4746,"Clc1ccc(Cl)c(c1)c2c(Cl)cccc2Cl","41464-41-9","Clc1ccc(Cl)c(-c2c(Cl)cccc2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(cccc2Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4747,"Clc1ccc(cc1Cl)c2c(Cl)cccc2Cl","41464-46-4","Clc1ccc(-c2c(Cl)cccc2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(cccc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4748,"Clc1ccc(Cl)c(c1Cl)c2ccccc2Cl","41464-47-5","Clc1ccccc1-c1c(Cl)ccc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4749,"Clc1cccc(c1Cl)c2cc(Cl)c(Cl)cc2Cl","41464-51-1","Clc1cc(Cl)c(-c2cccc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4750,null,"41476-09-9",{"$nulls":7},""]
[4751,"CCCCc1c(C)nc(NCC)nc1O[S](=O)(=O)N(C)C","41483-43-6","CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C","CCCCc1c(nc(nc1C)NCC)OS(=O)(=O)N(C)C",{"$nulls":4},316.15691162800067,"?"]
[4752,"OC(=O)C1CCC(=O)N1CCC#N","41563-94-4","N#CCCN1C(=O)CCC1C(=O)O","N#CCCN1C(CCC1=O)C(=O)O",{"$nulls":4},182.06914218,"?"]
[4753,null,"41570-59-6",{"$nulls":7},""]
[4754,"Cc1cccc2sc3nncn3c12","41814-78-2","Cc1cccc2sc3nncn3c12","Cc1c2c(ccc1)sc3n2cnn3",{"$nulls":4},189.036068224,"?"]
[4755,null,"41903-57-5",{"$nulls":7},""]
[4756,null,"42044-81-5",{"$nulls":7},""]
[4757,"CC(C)(C)NCC(O)COc1cccc2C[CH](O)[CH](O)Cc12","42200-33-9","CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2","CC(C)(C)NCC(O)COc1c2c(ccc1)CC(C(C2)O)O",{"$nulls":4},309.19400834400074,"?"]
[4758,"CN1CC(CC1=O)C(O)=O","42346-68-9","CN1CC(C(=O)O)CC1=O","CN1C(CC(C1)C(=O)O)=O",{"$nulls":4},143.058243148,"?"]
[4759,"COc1ccc(cc1)[CH]2Sc3ccccc3N(CCN(C)C)C(=O)[CH]2OC(C)=O","42399-41-7","COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1","COc1ccc(cc1)C2C(C(N(c3c(S2)cccc3)CCN(C)C)=O)OC(C)=O",{"$nulls":4},414.16132831200065,"?"]
[4760,"CCO[P](=S)(OCC)Oc1nn(C(C)C)c(Cl)n1","42509-80-8","CCOP(=S)(OCC)Oc1nc(Cl)n(C(C)C)n1","CCOP(=S)(OCC)Oc1nn(c(n1)Cl)C(C)C",{"$nulls":4},313.0416767140005,"?"]
[4761,"COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O","42576-02-3","COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]","COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]",{"$nulls":4},340.9857777480002,"?"]
[4762,"CC(C)CCCC(C)CC=CC(C)=CC(=O)OCC#C","42588-37-4","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",{"$nulls":4},276.20893013600056,"?"]
[4763,"Cc1ccc(NC(=O)NC(C)(C)c2ccccc2)cc1","42609-52-9","Cc1ccc(NC(=O)NC(C)(C)c2ccccc2)cc1","Cc1ccc(cc1)NC(=O)NC(C)(C)c2ccccc2",{"$nulls":4},268.15756326000036,"?"]
[4764,"CN(C(=O)NC(C)(C)c1ccccc1)c2ccccc2","42609-73-4","CN(C(=O)NC(C)(C)c1ccccc1)c1ccccc1","CN(C(=O)NC(C)(C)c1ccccc1)c2ccccc2",{"$nulls":4},268.15756326000036,"?"]
[4765,"Clc1cc(Cl)c(c(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl","42740-50-1","Clc1cc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4766,null,"42793-96-4",{"$nulls":7},""]
[4767,"CC(=O)c1cccc(NC(N)=O)c1","42865-71-4","CC(=O)c1cccc(NC(N)=O)c1","CC(=O)c1cc(ccc1)NC(N)=O",{"$nulls":4},178.07422756,"?"]
[4768,"CCOc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O","42874-03-3","CCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOc1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",{"$nulls":4},361.0328701720003,"?"]
[4769,null,"43015-17-4",{"$nulls":7},""]
[4770,"CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2","43121-43-3","CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(=O)C(Oc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},293.0931044320005,"?"]
[4771,"CC(=O)C(=O)Nc1ccccc1","46114-86-7","CC(=O)C(=O)Nc1ccccc1","CC(=O)C(=O)Nc1ccccc1",{"$nulls":4},163.063328528,"?"]
[4772,null,"46855-40-7",{"$nulls":7},""]
[4773,null,"48126-70-1",{"$nulls":7},""]
[4774,"CCCCCOC(=O)c1cccnc1","49558-04-5","CCCCCOC(=O)c1cccnc1","CCCCCOC(=O)c1cnccc1",{"$nulls":4},193.11027872,"?"]
[4775,null,"49607-15-0",{"$nulls":7},""]
[4776,null,"49629-98-3",{"$nulls":7},""]
[4777,"CCOC(=O)NC(=O)CC(=O)NC(=O)OCC","49754-15-6","CCOC(=O)NC(=O)CC(=O)NC(=O)OCC","CCOC(=O)NC(=O)CC(=O)NC(=O)OCC",{"$nulls":4},246.085186168,"?"]
[4778,null,"49861-19-0",{"$nulls":7},""]
[4779,null,"50256-21-8",{"$nulls":7},""]
[4780,null,"50397-65-4",{"$nulls":7},""]
[4781,"Cc1snnc1","50406-54-7","Cc1cnns1","Cc1snnc1",{"$nulls":4},100.009519128,"?"]
[4782,null,"50453-17-3",{"$nulls":7},""]
[4783,"CC1(OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2)C=C","50471-44-8","C=CC1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","C=CC1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",{"$nulls":4},284.99594850800025,"?"]
[4784,"CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1","50512-35-1","CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1","CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1","IP[3H]",{"$nulls":3},449.9585357500005,"?"]
[4785,"COCCN(C(=O)CCl)c1c(C)cccc1C","50563-36-5","COCCN(C(=O)CCl)c1c(C)cccc1C","COCCN(C(=O)CCl)c1c(cccc1C)C",{"$nulls":4},255.102606496,"?"]
[4786,"OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O","50594-66-6","O=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","O=C(O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",{"$nulls":4},360.9964846640002,"?"]
[4787,"CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4","50679-08-8","CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1","CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4",{"$nulls":4},471.3137295520011,"?"]
[4788,null,"50768-64-4",{"$nulls":7},""]
[4789,"CCO[P](C)(=O)SCCN(C(C)C)C(C)C","50782-69-9","CCOP(C)(=O)SCCN(C(C)C)C(C)C","CCOP(C)(=O)SCCN(C(C)C)C(C)C",{"$nulls":4},267.1421867020003,"?"]
[4790,null,"50785-22-3",{"$nulls":7},""]
[4791,null,"50785-24-5",{"$nulls":7},""]
[4792,"CCCCCC(=O)NCCNC(=O)CCCCC","50905-12-9","CCCCCC(=O)NCCNC(=O)CCCCC","CCCCCC(=O)NCCNC(=O)CCCCC",{"$nulls":4},256.215078136,"?"]
[4793,"Clc1ccccc1NC(=O)CC#N","50982-66-6","N#CCC(=O)Nc1ccccc1Cl","N#CCC(=O)Nc1c(cccc1)Cl",{"$nulls":4},194.024690524,"?"]
[4794,null,"51019-43-3",{"$nulls":7},""]
[4795,"CC1OC1C2OC2C","51065-35-1","CC1OC1C1OC1C","CC1C(O1)C2C(O2)C",{"$nulls":4},114.06807956,"?"]
[4796,null,"51072-90-3",{"$nulls":7},""]
[4797,null,"51078-47-8",{"$nulls":7},""]
[4798,null,"51078-49-0",{"$nulls":7},""]
[4799,null,"51084-31-2",{"$nulls":7},""]
[4800,null,"51087-03-7",{"$nulls":7},""]
[4801,null,"51143-42-1",{"$nulls":7},""]
[4802,null,"51203-19-1",{"$nulls":7},""]
[4803,"Clc1cc2oc3cc(Cl)c(Cl)cc3c2cc1Cl","51207-31-9","Clc1cc2oc3cc(Cl)c(Cl)cc3c2cc1Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3)Cl)Cl)Cl",{"$nulls":4},303.9016254680001,"?"]
[4804,"CCc1cccc(C)c1N(C(C)COC)C(=O)CCl","51218-45-2","CCc1cccc(C)c1N(C(=O)CCl)C(C)COC","CCc1c(c(ccc1)C)N(C(=O)CCl)C(C)COC",{"$nulls":4},283.1339066240006,"?"]
[4805,"CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC","51218-49-6","CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC","CCCOCCN(C(=O)CCl)c1c(cccc1CC)CC",{"$nulls":4},311.1652067520007,"?"]
[4806,"CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C","51235-04-2","CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C","CN(C)c1n(c(n(c(n1)=O)C2CCCCC2)=O)C",{"$nulls":4},252.15862588,"?"]
[4807,"CCCCNC1(CCCCC1)[P](=O)(OCCCC)OCCCC","51249-05-9","CCCCNC1(P(=O)(OCCCC)OCCCC)CCCCC1","CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC",{"$nulls":4},347.258930706001,"?"]
[4808,null,"51294-23-6",{"$nulls":7},""]
[4809,"CCCCSC(SCc1ccc(cc1)C(C)(C)C)=Nc2cccnc2","51308-54-4","CCCCSC(=Nc1cccnc1)SCc1ccc(C(C)(C)C)cc1","CCCCSC(=Nc1cnccc1)SCc2ccc(cc2)C(C)(C)C",{"$nulls":4},372.16939089600083,"?"]
[4810,"COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1","51338-27-3","COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",{"$nulls":4},340.0269142880004,"?"]
[4811,null,"51440-83-6",{"$nulls":7},""]
[4812,"COC(CN(C)C(=O)Nc1sc(nn1)C(C)(C)C)OC","51461-71-3","COC(CN(C)C(=O)Nc1nnc(C(C)(C)C)s1)OC","COC(CN(C)C(=O)Nc1sc(nn1)C(C)(C)C)OC",{"$nulls":4},302.1412615640006,"?"]
[4813,"CN=C(NCCSCc1nc[nH]c1C)NC#N","51481-61-9","CN=C(NC#N)NCCSCc1nc[nH]c1C","CN=C(NC#N)NCCSCc1c([nH]cn1)C",{"$nulls":4},252.11571551199998,"?"]
[4814,"CNC(=O)Oc1ccccc1OC(CCl)OC","51487-69-5","CNC(=O)Oc1ccccc1OC(CCl)OC","CNC(=O)Oc1c(cccc1)OC(CCl)OC",{"$nulls":4},259.0611356080001,"?"]
[4815,null,"51543-29-4",{"$nulls":7},""]
[4816,"C[CH]1CC(=CCC2C[CH](C[C]3(CC[CH](C)C(C)O3)O2)OC(=O)[CH]4C=C(C)[CH](O)[CH]5OCC(=CC=C1)[C]45O)C","51596-10-2","CC1=CCC2CC(CC3(CCC(C)C(C)O3)O2)OC(=O)C2C=C(C)C(O)C3OCC(=CC=CC(C)C1)C23O","CC=1CC(C=CC=C2COC3C(C(=CC(C(OC4CC(CC1)OC5(C4)OC(C(CC5)C)C)=O)C32O)C)O)C",{"$nulls":4},528.3087037480011,"?"]
[4817,"CCC1O[C]2(CCC1C)C[CH]3C[CH](CC=C(C)CC(C)C=CC=C4CO[CH]5[CH](O)C(=C[CH](C(=O)O3)[C]45O)C)O2","51596-11-3","CCC1OC2(CCC1C)CC1CC(CC=C(C)CC(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2","CCC1C(CCC2(O1)OC3CC(C2)OC(C4C=C(C(C5OCC(=CC=CC(CC(=CC3)C)C)C54O)O)C)=O)C",{"$nulls":4},542.3243538120012,"?"]
[4818,"CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3","51630-58-1","CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl",{"$nulls":4},419.1288212440006,"?"]
[4819,"O=C(Nc1snnc1)Nc2ccccc2","51707-55-2","O=C(Nc1ccccc1)Nc1cnns1","O=C(Nc1ccccc1)Nc2snnc2",{"$nulls":4},220.041881876,"?"]
[4820,null,"51773-76-3",{"$nulls":7},""]
[4821,"Clc1ccc(Oc2ccccc2)c(Cl)c1","51892-26-3","Clc1ccc(Oc2ccccc2)c(Cl)c1","Clc1cc(c(cc1)Oc2ccccc2)Cl",{"$nulls":4},237.995220236,"?"]
[4822,"Clc1cc(Cl)c(Cl)c(c1)c2cc(Cl)c(Cl)cc2Cl","51908-16-8","Clc1cc(Cl)c(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4823,"CCN1C=C(C(O)=O)C(=O)c2cnc(nc12)N3CCNCC3","51940-44-4","CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21","CCn1c2c(c(c(c1)C(=O)O)=O)cnc(N3CCNCC3)n2",{"$nulls":4},303.1331394040005,"?"]
[4824,null,"51944-15-1",{"$nulls":7},""]
[4825,null,"51944-17-3",{"$nulls":7},""]
[4826,"O=C1CC=NC=N1","51953-17-4","O=C1CC=NC=N1","O=C1N=CN=CC1",{"$nulls":4},96.032362748,"?"]
[4827,"NC(=O)C1(CCCCC1)N2C(=O)c3cccc(Cl)c3C2=O","51971-67-6","NC(=O)C1(N2C(=O)c3cccc(Cl)c3C2=O)CCCCC1","NC(=O)C1(CCCCC1)N2C(c3c(C2=O)cccc3Cl)=O",{"$nulls":4},306.0771200200004,"?"]
[4828,null,"52128-85-5",{"$nulls":7},""]
[4829,null,"52137-33-4",{"$nulls":7},""]
[4830,"CCc1ccc2cc3ccccc3cc2c1","52251-71-5","CCc1ccc2cc3ccccc3cc2c1","CCc1cc2c(cc1)cc3c(cccc3)c2",{"$nulls":4},206.109550448,"?"]
[4831,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2","52315-07-8","CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},415.07419882800053,"?"]
[4832,null,"52321-05-8",{"$nulls":7},""]
[4833,null,"52363-15-2",{"$nulls":7},""]
[4834,"CCC1(C)OC(=O)NC1=O","52387-52-7","CCC1(C)OC(=O)NC1=O","CCC1(C(NC(O1)=O)=O)C",{"$nulls":4},143.058243148,"?"]
[4835,null,"52387-57-2",{"$nulls":7},""]
[4836,"CC(Oc1ccc2ccccc2c1)C(=O)Nc3ccccc3","52570-16-8","CC(Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1","CC(Oc1cc2c(cc1)cccc2)C(=O)Nc3ccccc3",{"$nulls":4},291.1259287840005,"?"]
[4837,"CC1(C)[CH](C=C(Cl)Cl)[CH]1C(=O)OCc2cccc(Oc3ccccc3)c2","52645-53-1","CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},390.07894986000053,"?"]
[4838,"Clc1ccc(c(Cl)c1Cl)c2ccccc2Cl","52663-59-9","Clc1ccccc1-c1ccc(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4839,"Clc1cccc(c1Cl)c2c(Cl)ccc(Cl)c2Cl","52663-60-2","Clc1cccc(-c2c(Cl)ccc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4840,"Clc1ccc(Cl)c(c1)c2cc(Cl)cc(Cl)c2Cl","52663-61-3","Clc1ccc(Cl)c(-c2cc(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4841,"Clc1cccc(c1Cl)c2ccc(Cl)c(Cl)c2Cl","52663-62-4","Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4842,"Clc1ccc(Cl)c(c1)c2c(Cl)c(Cl)cc(Cl)c2Cl","52663-63-5","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4843,"Clc1ccc(Cl)c(c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl","52663-64-6","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4844,"Clc1ccc(Cl)c(c1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl","52663-65-7","Clc1cc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4845,"Clc1cc(Cl)c(Cl)c(c1)c2c(Cl)c(Cl)cc(Cl)c2Cl","52663-67-9","Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4846,"Clc1cc(Cl)c(cc1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl","52663-68-0","Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4847,"Clc1cc(Cl)c(cc1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl","52663-69-1","Clc1cc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4848,"Clc1ccc(c(Cl)c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl","52663-70-4","Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4849,"Clc1ccc(c(Cl)c1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl","52663-71-5","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4850,"Clc1cc(Cl)c(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2","52663-72-6","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)cc1Cl","Clc1c(cc(c(c1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4851,"Clc1ccc(Cl)c(c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","52663-73-7","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4852,"Clc1cc(Cl)c(Cl)c(c1)c2cc(Cl)c(Cl)c(Cl)c2Cl","52663-74-8","Clc1cc(Cl)c(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4853,"Clc1cc(c(Cl)c(Cl)c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl","52663-75-9","Clc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4854,"Clc1cc(Cl)c(cc1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","52663-76-0","Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4855,"Clc1cc(Cl)c(Cl)c(c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","52663-77-1","Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},459.727499152,"?"]
[4856,"Clc1ccc(c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","52663-78-2","Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[4857,"Clc1cc(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","52663-79-3","Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},459.727499152,"?"]
[4858,"Clc1cccc(c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl","52704-70-8","Clc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4859,"Clc1ccc(Cl)c(c1)c2cc(Cl)c(Cl)c(Cl)c2Cl","52712-04-6","Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4860,"Clc1ccc(Cl)c(c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","52712-05-7","Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4861,"Clc1cc(Cl)c(Cl)c(c1)c2c(Cl)ccc(Cl)c2Cl","52744-13-5","Clc1cc(Cl)c(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(ccc2Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4862,"CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2","52756-22-6","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},363.10374936800054,"?"]
[4863,"COC(=O)C(C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2","52756-25-9","COC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},335.0724492400004,"?"]
[4864,"CCCN(CCC)C(=O)SCc1ccccc1","52888-80-9","CCCN(CCC)C(=O)SCc1ccccc1","CCCN(CCC)C(=O)SCc1ccccc1",{"$nulls":4},251.134385292,"?"]
[4865,"CC1(C)[CH](C=C(Br)Br)[CH]1C(=O)O[CH](C#N)c2cccc(Oc3ccccc3)c2","52918-63-5","CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Br)Br)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},502.9731676680005,"?"]
[4866,"CCCCC(O)CN(N=Cc1oc(cc1)[N+]([O-])=O)C(N)=O","52926-52-0","CCCCC(O)CN(N=Cc1ccc([N+](=O)[O-])o1)C(N)=O","CCCCC(O)CN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O",{"$nulls":4},298.1277196760005,"?"]
[4867,"Nc1c(c(cc(c1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O","53014-37-2","Nc1c([N+](=O)[O-])c([N+](=O)[O-])cc([N+](=O)[O-])c1[N+](=O)[O-]","Nc1c(c(cc(c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",{"$nulls":4},272.99816205600007,"?"]
[4868,"CC(=O)OC1C(=O)NC(=O)NC1=O","53039-86-4","CC(=O)OC1C(=O)NC(=O)NC1=O","CC(=O)OC1C(NC(NC1=O)=O)=O",{"$nulls":4},186.027671292,"?"]
[4869,"Cc1cc(C)nc(Nc2ccccc2)n1","53112-28-0","Cc1cc(C)nc(Nc2ccccc2)n1","Cc1nc(nc(c1)C)Nc2ccccc2",{"$nulls":4},199.110947416,"?"]
[4870,"Clc1ccc(c(Cl)c1)c2ccc(Cl)cc2Cl","53469-21-9","Clc1ccc(-c2ccc(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4871,"CCCCCCCO","53535-33-4","CCCCCCCO","CCCCCCCO",{"$nulls":4},116.120115132,"?"]
[4872,"Clc1cccc2c(Cl)c(Cl)c(Cl)cc12","53555-63-8","Clc1cc2c(Cl)cccc2c(Cl)c1Cl","Clc1c(c(c2c(c1)c(Cl)ccc2)Cl)Cl",{"$nulls":4},263.9067108480001,"?"]
[4873,"Clc1cc(Cl)c2cc(Cl)cc(Cl)c2c1","53555-64-9","Clc1cc(Cl)c2cc(Cl)cc(Cl)c2c1","Clc1cc2c(c(c1)Cl)cc(Cl)cc2Cl",{"$nulls":4},263.9067108480001,"?"]
[4874,"CC(C)Cc1ccc(cc1)C(C)C(=O)NO","53648-05-8","CC(C)Cc1ccc(C(C)C(=O)NO)cc1","CC(C)Cc1ccc(cc1)C(C)C(=O)NO",{"$nulls":4},221.141578848,"?"]
[4875,"Clc1cc(c(Cl)c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","53742-07-7","Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},459.727499152,"?"]
[4876,null,"53744-47-1",{"$nulls":7},""]
[4877,"CC(=O)Nc1cc(N[S](=O)(=O)C(F)(F)F)c(C)cc1C","53780-34-0","CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C","CC(=O)Nc1c(cc(c(c1)NS(=O)(=O)C(F)(F)F)C)C",{"$nulls":4},310.05989793600037,"?"]
[4878,"COCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC","53808-87-0","COCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC","COCCOc1c(cc(cc1OC)Cc2c(nc(nc2)N)N)OC",{"$nulls":4},334.1641051840006,"?"]
[4879,null,"53893-44-0",{"$nulls":7},""]
[4880,null,"53910-10-4",{"$nulls":7},""]
[4881,"CCCCC1(C)C(=O)NC(=O)NC1=O","53943-60-5","CCCCC1(C)C(=O)NC(=O)NC1=O","CCCCC1(C(NC(NC1=O)=O)=O)C",{"$nulls":4},198.100442308,"?"]
[4882,null,"53943-61-6",{"$nulls":7},""]
[4883,null,"53943-64-9",{"$nulls":7},""]
[4884,null,"53993-41-2",{"$nulls":7},""]
[4885,"N[CH](C(=O)N[CH]1[CH]2SCC(=C(N2C1=O)C(O)=O)Cl)c3ccccc3","53994-73-3","NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CSC12)c1ccccc1","NC(C(=O)NC1C2N(C1=O)C(C(=O)O)=C(Cl)CS2)c3ccccc3",{"$nulls":4},367.0393546080004,"?"]
[4886,"CC(C)(NC(=O)c1ccccc1)C(N)=O","54016-23-8","CC(C)(NC(=O)c1ccccc1)C(N)=O","CC(C)(NC(=O)c1ccccc1)C(N)=O",{"$nulls":4},206.105527688,"?"]
[4887,"COc1ccc(Cl)c(Cl)c1Cl","54135-80-7","COc1ccc(Cl)c(Cl)c1Cl","COc1c(c(c(cc1)Cl)Cl)Cl",{"$nulls":4},209.94059782,"?"]
[4888,null,"54345-92-5",{"$nulls":7},""]
[4889,null,"54381-71-4",{"$nulls":7},""]
[4890,"CCC=C(C)C(OC(=O)C1C(C=C(C)C)C1(C)C)C#C","54406-48-3","C#CC(OC(=O)C1C(C=C(C)C)C1(C)C)C(C)=CCC","C#CC(OC(=O)C1C(C1C=C(C)C)(C)C)C(C)=CCC",{"$nulls":4},274.1932800720005,"?"]
[4891,null,"54496-86-5",{"$nulls":7},""]
[4892,"CCCCC(=O)NCCNC(=O)CCCC","54535-60-3","CCCCC(=O)NCCNC(=O)CCCC","CCCCC(=O)NCCNC(=O)CCCC",{"$nulls":4},228.183778008,"?"]
[4893,"CCO[P](=S)(OCC)OC(Cl)C(Cl)(Cl)Cl","54593-83-8","CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl","CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl",{"$nulls":4},333.89206256200026,"?"]
[4894,"O=NN1CCCC1=O","54634-49-0","O=NN1CCCC1=O","O=NN1C(CCC1)=O",{"$nulls":4},114.042927432,"?"]
[4895,null,"54831-20-8",{"$nulls":7},""]
[4896,null,"54839-91-7",{"$nulls":7},""]
[4897,null,"54839-92-8",{"$nulls":7},""]
[4898,"CCCCC(NC(C)=O)C(O)=O","54896-21-8","CCCCC(NC(C)=O)C(=O)O","CCCCC(NC(C)=O)C(=O)O",{"$nulls":4},173.10519334,"?"]
[4899,"CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3","55179-31-2","CC(C)(C)C(O)C(Oc1ccc(-c2ccccc2)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)-c2ccccc2)n3ncnc3",{"$nulls":4},337.1790269760007,"?"]
[4900,"Clc1ccccc1c2c(Cl)cc(Cl)c(Cl)c2Cl","55215-17-3","Clc1ccccc1-c1c(Cl)cc(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4901,"Clc1cccc(c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl","55215-18-4","Clc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4902,"CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2","55219-65-3","CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},295.10875449600053,"?"]
[4903,"CCCn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12","55242-55-2","CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C","CCCn1c2c(nc1)n(c(n(c2=O)CCCCC(C)=O)=O)C",{"$nulls":4},306.1691905640006,"?"]
[4904,"O=C1CN(CC2N1CCc3ccccc23)C(=O)C4CCCCC4","55268-74-1","O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1","O=C(C1CCCCC1)N2CC3N(C(C2)=O)CCc4c3cccc4",{"$nulls":4},312.1837780080007,"?"]
[4905,"CCN(CC(C)=C)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","55283-68-6","C=C(C)CN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","C=C(C)CN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},333.09364058800037,"?"]
[4906,"CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12","55285-14-8","CCCCN(CCCC)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2","CCCCN(CCCC)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C",{"$nulls":4},380.2133638840009,"?"]
[4907,"CC1=C(C)[S](=O)(=O)CC[S]1(=O)=O","55290-64-7","CC1=C(C)S(=O)(=O)CCS1(=O)=O","CC=1S(CCS(C1C)(=O)=O)(=O)=O",{"$nulls":4},210.0020508,"?"]
[4908,"Clc1ccccc1c2cc(Cl)c(Cl)c(Cl)c2Cl","55312-69-1","Clc1ccccc1-c1cc(Cl)c(Cl)c(Cl)c1Cl","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4909,null,"55312-81-7",{"$nulls":7},""]
[4910,"C1CN(CCS1)c2ccccc2","55330-78-4","c1ccc(N2CCSCC2)cc1","c1ccc(cc1)N2CCSCC2",{"$nulls":4},179.076870416,"?"]
[4911,"OC(=O)COc1nc(Cl)c(Cl)cc1Cl","55335-06-3","O=C(O)COc1nc(Cl)c(Cl)cc1Cl","O=C(O)COc1c(cc(c(n1)Cl)Cl)Cl",{"$nulls":4},254.925676028,"?"]
[4912,"CN1CC(O)N(C1=O)c2sc(nn2)C(C)(C)C","55511-98-3","CN1CC(O)N(c2nnc(C(C)(C)C)s2)C1=O","CN1C(N(C(C1)O)c2sc(nn2)C(C)(C)C)=O",{"$nulls":4},256.099396752,"?"]
[4913,"CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c2ccccc2","55512-33-9","CCCCCCCCSC(=O)Oc1cc(Cl)nnc1-c1ccccc1","CCCCCCCCSC(=O)Oc1c(nnc(c1)Cl)-c2ccccc2",{"$nulls":4},378.11687665600067,"?"]
[4914,"Clc1ccc(Oc2ccccc2)cc1Cl","55538-69-7","Clc1ccc(Oc2ccccc2)cc1Cl","Clc1c(cc(cc1)Oc2ccccc2)Cl",{"$nulls":4},237.995220236,"?"]
[4915,null,"55645-89-1",{"$nulls":7},""]
[4916,"Clc1ccc(Cl)c(c2ccccc2)c1Cl","55702-45-9","Clc1ccc(Cl)c(-c2ccccc2)c1Cl","Clc1c(c(c(cc1)Cl)-c2ccccc2)Cl",{"$nulls":4},255.961333264,"?"]
[4917,"Clc1ccc(c2ccccc2)c(Cl)c1Cl","55702-46-0","Clc1ccc(-c2ccccc2)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2ccccc2)Cl)Cl",{"$nulls":4},255.961333264,"?"]
[4918,null,"55704-91-1",{"$nulls":7},""]
[4919,"Clc1ccc2cc(Cl)cc(Cl)c2c1","55720-37-1","Clc1cc(Cl)c2cc(Cl)ccc2c1","Clc1cc2c(c(c1)Cl)cc(Cl)cc2",{"$nulls":4},229.9456832,"?"]
[4920,"Clc1ccc2cc(Cl)c(Cl)cc2c1","55720-40-6","Clc1ccc2cc(Cl)c(Cl)cc2c1","Clc1cc2c(cc1)cc(Cl)c(Cl)c2",{"$nulls":4},229.9456832,"?"]
[4921,"Clc1ccc(Cl)c2cc(Cl)c(Cl)cc12","55720-43-9","Clc1cc2c(Cl)ccc(Cl)c2cc1Cl","Clc1c(cc2c(c1)c(Cl)ccc2Cl)Cl",{"$nulls":4},263.9067108480001,"?"]
[4922,null,"55774-20-4",{"$nulls":7},""]
[4923,"CC(C)Oc1cccc(NC(=O)c2ccccc2C)c1","55814-41-0","Cc1ccccc1C(=O)Nc1cccc(OC(C)C)c1","Cc1c(cccc1)C(=O)Nc2cc(ccc2)OC(C)C",{"$nulls":4},269.1415788480004,"?"]
[4924,"CN(C)C(=O)Nc1cc(on1)C(C)(C)C","55861-78-4","CN(C)C(=O)Nc1cc(C(C)(C)C)on1","CN(C)C(=O)Nc1noc(c1)C(C)(C)C",{"$nulls":4},211.132076784,"?"]
[4925,"CCC(=O)N(c1ccccc1)C2(CCN(CCc3sccc3)CC2)COC","56030-54-7","CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1","CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3sccc3)COC",{"$nulls":4},386.2027992000008,"?"]
[4926,"Clc1ccc(c(Cl)c1)c2c(Cl)cc(Cl)c(Cl)c2Cl","56030-56-9","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4927,"CCO[P](=S)(OCC)SC[S](=O)(=O)C(C)(C)C","56070-16-7","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C",{"$nulls":4},320.0339587820006,"?"]
[4928,"CCCC(C)CC(C)O","56298-90-9","CCCC(C)CC(C)O","CCCC(C)CC(C)O",{"$nulls":4},130.135765196,"?"]
[4929,null,"56403-08-8",{"$nulls":7},""]
[4930,"CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c2cncnc2","56425-91-3","CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c1cncnc1","CC(C)C(O)(c1ccc(cc1)OC(F)(F)F)c2cncnc2",{"$nulls":4},312.1085623800005,"?"]
[4931,"O=CC(=O)Cc1ccccc1","56485-04-2","O=CC(=O)Cc1ccccc1","O=CC(=O)Cc1ccccc1",{"$nulls":4},148.052429496,"?"]
[4932,"Clc1cc(Cl)c(c(Cl)c1)c2c(Cl)cccc2Cl","56558-16-8","Clc1cc(Cl)c(-c2c(Cl)cccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cccc2Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4933,"Clc1cc(Cl)c(c(Cl)c1)c2ccc(Cl)c(Cl)c2","56558-17-9","Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2cc(c(cc2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4934,"Clc1cc(Cl)c(c(Cl)c1)c2cc(Cl)cc(Cl)c2","56558-18-0","Clc1cc(Cl)cc(-c2c(Cl)cc(Cl)cc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4935,"FC1=CN(C(=O)NC1=O)C(=O)Nc2ccccc2","56563-17-8","O=C(Nc1ccccc1)n1cc(F)c(=O)[nH]c1=O","O=C(Nc1ccccc1)n2c([nH]c(c(c2)F)=O)=O",{"$nulls":4},249.054969336,"?"]
[4936,"CNC(=O)N1C=C(F)C(=O)NC1=O","56563-18-9","CNC(=O)n1cc(F)c(=O)[nH]c1=O","CNC(=O)n1c([nH]c(c(c1)F)=O)=O",{"$nulls":4},187.039319272,"?"]
[4937,"CC(C)(C)c1ccc(O[P](=O)(Oc2ccccc2)Oc3ccccc3)cc1","56803-37-3","CC(C)(C)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1","CC(C)(C)c1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3ccccc3",{"$nulls":4},382.1333958460006,"?"]
[4938,"CO[P](=S)(OC)Oc1c(Cl)cc(C)cc1Cl","57018-04-9","COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl","COP(=S)(OC)Oc1c(cc(cc1Cl)C)Cl",{"$nulls":4},299.9543572020003,"?"]
[4939,"CSC1=NN=C(C(=O)N1N=CC(C)C)C(C)(C)C","57052-04-7","CSc1nnc(C(C)(C)C)c(=O)n1N=CC(C)C","CSc1n(c(c(nn1)C(C)(C)C)=O)N=CC(C)C",{"$nulls":4},268.1357822600003,"?"]
[4940,"COc1c(O)cc(Cl)c(Cl)c1Cl","57057-83-7","COc1c(O)cc(Cl)c(Cl)c1Cl","COc1c(c(c(cc1O)Cl)Cl)Cl",{"$nulls":4},225.93551244,"?"]
[4941,"Clc1cc2oc3c(Cl)c(Cl)c(Cl)cc3c2cc1Cl","57117-31-4","Clc1cc2oc3c(Cl)c(Cl)c(Cl)cc3c2cc1Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3Cl)Cl)Cl)Cl",{"$nulls":4},337.8626531160001,"?"]
[4942,null,"57187-73-2",{"$nulls":7},""]
[4943,null,"57229-74-0",{"$nulls":7},""]
[4944,"Nc1ccc2COC(=O)c2c1","57319-65-0","Nc1ccc2c(c1)C(=O)OC2","Nc1cc2c(cc1)COC2=O",{"$nulls":4},149.047678464,"?"]
[4945,"O=C1CCc2cccc3CCN1c23","57369-32-1","O=C1CCc2cccc3c2N1CC3","O=C1N2c3c(CC1)cccc3CC2",{"$nulls":4},173.084063972,"?"]
[4946,"CCN(C(=O)Oc1cccc(NC(=O)OC(C)C)c1)c2ccccc2","57375-63-0","CCN(C(=O)Oc1cccc(NC(=O)OC(C)C)c1)c1ccccc1","CCN(C(=O)Oc1cc(ccc1)NC(=O)OC(C)C)c2ccccc2",{"$nulls":4},342.1579571840006,"?"]
[4947,null,"57381-79-0",{"$nulls":7},""]
[4948,null,"57440-16-1",{"$nulls":7},""]
[4949,"COC(=O)C(C)N(C(=O)c1occc1)c2c(C)cccc2C","57646-30-7","COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C","COC(=O)C(C)N(C(=O)c1occc1)c2c(cccc2C)C",{"$nulls":4},301.1314080880005,"?"]
[4950,"COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C","57837-19-1","COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC",{"$nulls":4},279.14705815200057,"?"]
[4951,"CCNC(=O)NC(=O)C(=NOC)C#N","57966-95-7","CCNC(=O)NC(=O)C(C#N)=NOC","CCNC(=O)NC(=O)C(C#N)=NOC",{"$nulls":4},198.07529018,"?"]
[4952,"CC(C)OC(=O)[CH](C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2","57973-67-8","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},363.10374936800054,"?"]
[4953,"Cc1ccc(cc1)N=Nc2cc(C)ccc2N","58010-91-6","Cc1ccc(N=Nc2cc(C)ccc2N)cc1","Cc1ccc(cc1)N=Nc2c(ccc(c2)C)N",{"$nulls":4},225.12659748,"?"]
[4954,"Cn1nc(C)c(C(=O)c2ccc(Cl)cc2Cl)c1O[S](=O)(=O)c3ccc(C)cc3","58011-68-0","Cc1ccc(S(=O)(=O)Oc2c(C(=O)c3ccc(Cl)cc3Cl)c(C)nn2C)cc1","Cc1ccc(cc1)S(=O)(=O)Oc2n(nc(c2C(=O)c3c(cc(cc3)Cl)Cl)C)C",{"$nulls":4},438.0207833520003,"?"]
[4955,"CCC1(CC)C(=NC(=O)NC1=O)N","58042-95-8","CCC1(CC)C(=O)NC(=O)N=C1N","CCC1(C(=NC(NC1=O)=O)N)CC",{"$nulls":4},183.100776656,"?"]
[4956,null,"58266-38-9",{"$nulls":7},""]
[4957,null,"58266-39-0",{"$nulls":7},""]
[4958,null,"58335-58-3",{"$nulls":7},""]
[4959,"Cc1cc(ccc1N=Nc2c(Cl)cc(cc2Cl)[N+]([O-])=O)N(CCO)CCO","58528-60-2","Cc1cc(N(CCO)CCO)ccc1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl","Cc1c(ccc(c1)N(CCO)CCO)N=Nc2c(cc(cc2Cl)[N+](=O)[O-])Cl","[2H]IS",{"$nulls":3},572.9627044800004,"?"]
[4960,null,"58585-89-0",{"$nulls":7},""]
[4961,"CC(N(c1ccc(F)c(Cl)c1)C(=O)c2ccccc2)C(O)=O","58667-63-3","CC(C(=O)O)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C(=O)O)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},321.0567991760003,"?"]
[4962,"Cc1cccc(C)c1N(C2CCOC2=O)C(=O)CCl","58810-48-3","Cc1cccc(C)c1N(C(=O)CCl)C1CCOC1=O","Cc1c(c(ccc1)C)N(C(=O)CCl)C2C(OCC2)=O",{"$nulls":4},281.08187105200045,"?"]
[4963,"CCCCC(CC)C(=O)NC(N)=O","58850-93-4","CCCCC(CC)C(=O)NC(N)=O","CCCCC(CC)C(=O)NC(N)=O",{"$nulls":4},186.136827816,"?"]
[4964,null,"58944-05-1",{"$nulls":7},""]
[4965,null,"58944-06-2",{"$nulls":7},""]
[4966,null,"58954-22-6",{"$nulls":7},""]
[4967,null,"58954-23-7",{"$nulls":7},""]
[4968,"COC1OC(CNC(=O)N(CCCl)N=O)C(O)C(O)C1O","58994-96-0","COC1OC(CNC(=O)N(CCCl)N=O)C(O)C(O)C1O","COC1C(C(C(C(O1)CNC(=O)N(CCCl)N=O)O)O)O",{"$nulls":4},327.08332759600046,"?"]
[4969,"Clc1ccc(Oc2ccc(Cl)cc2Cl)cc1","59039-21-3","Clc1ccc(Oc2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[4970,null,"59259-32-4",{"$nulls":7},""]
[4971,"NC1=NC(=O)c2ncn(COCCO)c2N1","59277-89-3","Nc1nc(=O)c2ncn(COCCO)c2[nH]1","Nc1[nH]c2c(c(n1)=O)ncn2COCCO",{"$nulls":4},225.086189212,"?"]
[4972,"Clc1cc(Cl)c(c(Cl)c1)c2ccc(Cl)c(Cl)c2Cl","59291-64-4","Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4973,null,"59320-76-2",{"$nulls":7},""]
[4974,"CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC","59669-26-0","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC",{"$nulls":4},354.0490180560005,"?"]
[4975,"CN1C=C(c2ccccc2)C(=O)C(=C1)c3cccc(c3)C(F)(F)F","59756-60-4","Cn1cc(-c2ccccc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1","Cn1cc(c(c(c1)-c2ccccc2)=O)-c3cc(ccc3)C(F)(F)F",{"$nulls":4},329.1027487280004,"?"]
[4976,"COC(=O)C1CN(C)C(=O)C1","59857-86-2","COC(=O)C1CC(=O)N(C)C1","COC(=O)C1CN(C(C1)=O)C",{"$nulls":4},157.073893212,"?"]
[4977,"CCOc1ccccc1C=CC([O-])=O","59923-03-4","CCOc1ccccc1C=CC(=O)[O-]","CCOc1c(cccc1)C=CC(=O)O",{"$nulls":4},191.070819212,"Structure has been neutralized"]
[4978,"Clc1ccc(Cl)c(c1)c2c(Cl)cc(Cl)cc2Cl","60145-21-3","Clc1cc(Cl)c(-c2cc(Cl)ccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(ccc(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4979,"Clc1cc(Cl)c(c(Cl)c1)c2cc(Cl)c(Cl)cc2Cl","60145-22-4","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[4980,"Clc1cc(Cl)c(c(Cl)c1)c2cc(Cl)c(Cl)c(Cl)c2Cl","60145-23-5","Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[4981,"CC(C)([S](C)(=O)=O)[S](C)(=O)=O","60154-00-9","CC(C)(S(C)(=O)=O)S(C)(=O)=O","CC(C)(S(C)(=O)=O)S(C)(=O)=O",{"$nulls":4},200.017700864,"?"]
[4982,null,"60154-05-4",{"$nulls":7},""]
[4983,"C[CH](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I","60166-93-0","CC(O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I","CC(O)C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I",{"$nulls":4},776.8541086640005,"?"]
[4984,"OC(c1ccc(Cl)cc1)(c2cncnc2)c3ccccc3Cl","60168-88-9","OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl","OC(c1ccc(cc1)Cl)(c2cncnc2)c3c(cccc3)Cl",{"$nulls":4},330.03266836400036,"?"]
[4985,"Clc1ccc(c(Cl)c1)C2(Cn3cncn3)OCCO2","60207-31-0","Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1","Clc1cc(c(cc1)C2(OCCO2)Cn3ncnc3)Cl",{"$nulls":4},299.0228319520003,"?"]
[4986,"CCCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl","60207-90-1","CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1","CCCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl",{"$nulls":4},341.0697821440005,"?"]
[4987,"CCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl","60207-93-4","CCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1","CCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl",{"$nulls":4},327.05413208000044,"?"]
[4988,"Clc1cccc(c1)c2c(Cl)cc(Cl)cc2Cl","60233-24-1","Clc1cccc(-c2c(Cl)cc(Cl)cc2Cl)c1","Clc1cc(ccc1)-c2c(cc(cc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[4989,"Clc1cc(Cl)c(c(Cl)c1)c2cccc(Cl)c2Cl","60233-25-2","Clc1cc(Cl)c(-c2cccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[4990,"CCO[P](=S)(OCC)Oc1cc(Cl)c(Cl)c(SC)c1","60238-56-4","CCOP(=S)(OCC)Oc1cc(Cl)c(Cl)c(SC)c1","CCOP(=S)(OCC)Oc1cc(c(c(c1)Cl)Cl)SC",{"$nulls":4},359.95772833000046,"?"]
[4991,null,"60295-67-2",{"$nulls":7},""]
[4992,null,"60340-41-2",{"$nulls":7},""]
[4993,null,"60415-20-5",{"$nulls":7},""]
[4994,null,"60415-21-6",{"$nulls":7},""]
[4995,"CON(C1CCCCC1)C(=O)c2cc(C)oc2C","60568-05-0","CON(C(=O)c1cc(C)oc1C)C1CCCCC1","CON(C(=O)c1c(oc(c1)C)C)C2CCCCC2",{"$nulls":4},251.152143532,"?"]
[4996,null,"60574-00-7",{"$nulls":7},""]
[4997,null,"60634-74-4",{"$nulls":7},""]
[4998,null,"60653-87-4",{"$nulls":7},""]
[4999,"CC(Br)C(=O)NCC(=O)NCC(O)=O","60662-64-8","CC(Br)C(=O)NCC(=O)NCC(=O)O","CC(Br)C(=O)NCC(=O)NCC(=O)O",{"$nulls":4},265.9902189320003,"?"]
[5000,"[Na+].CCCCCCCC1(CC)C(=O)NC(=O)[N-]C1=O","60784-70-5","CCCCCCCC1(CC)C(=O)[N-]C(=O)NC1=O","CCCCCCCC1(C(NC(NC1=O)=O)=O)CC","[Na+]",{"$nulls":3},276.144986812,"Structure has been neutralized"]
[5001,null,"60940-94-5",{"$nulls":7},""]
[5002,"FC(F)(F)c1cccc(c1)N2CC(CCl)C(Cl)C2=O","61213-25-0","O=C1C(Cl)C(CCl)CN1c1cccc(C(F)(F)F)c1","O=C1N(CC(C1Cl)CCl)c2cc(ccc2)C(F)(F)F",{"$nulls":4},311.0091539600002,"?"]
[5003,null,"61296-28-4",{"$nulls":7},""]
[5004,"Clc1ccc(Oc2ccccc2Cl)cc1Cl","61328-44-7","Clc1ccc(Oc2ccccc2Cl)cc1Cl","Clc1c(cc(cc1)Oc2c(cccc2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5005,null,"61402-72-0",{"$nulls":7},""]
[5006,"CC(C)(SC(=O)N1CCCCC1)c2ccccc2","61432-55-1","CC(C)(SC(=O)N1CCCCC1)c1ccccc1","CC(C)(SC(=O)N1CCCCC1)c2ccccc2",{"$nulls":4},263.1343852920002,"?"]
[5007,"CC(C)Cc1[nH]ccn1","61491-92-7","CC(C)Cc1ncc[nH]1","CC(C)Cc1[nH]ccn1",{"$nulls":4},124.10004838399999,"?"]
[5008,"CN1C=CSC1=Nc2ccc(C)cc2C","61676-87-7","Cc1ccc(N=c2sccn2C)c(C)c1","Cc1cc(c(cc1)N=c2n(ccs2)C)C",{"$nulls":4},218.087769448,"?"]
[5009,null,"61713-37-9",{"$nulls":7},""]
[5010,"Clc1cccc(c1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl","61798-70-7","Clc1cccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1Cl","Clc1c(c(ccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5011,"OCCNC(=O)c1cc(O)ccc1O","61969-53-7","O=C(NCCO)c1cc(O)ccc1O","O=C(NCCO)c1c(ccc(c1)O)O",{"$nulls":4},197.068807832,"?"]
[5012,null,"61986-93-4",{"$nulls":7},""]
[5013,"CNC(=O)OCc1cccc(Cl)c1Cl","62046-37-1","CNC(=O)OCc1cccc(Cl)c1Cl","CNC(=O)OCc1c(c(ccc1)Cl)Cl",{"$nulls":4},233.001033888,"?"]
[5014,null,"62396-98-9",{"$nulls":7},""]
[5015,"COC(=O)C(C)=CO[P](=S)(OC)OC","62610-77-9","COC(=O)C(C)=COP(=S)(OC)OC","COC(=O)C(C)=COP(=S)(OC)OC",{"$nulls":4},240.022131146,"?"]
[5016,"CCCCN(C(N)=O)c1ccccc1","62641-29-6","CCCCN(C(N)=O)c1ccccc1","CCCCN(C(N)=O)c1ccccc1",{"$nulls":4},192.126263132,"?"]
[5017,"Clc1cc(Cl)c(c(Cl)c1)c2ccccc2Cl","62796-65-0","Clc1cc(Cl)c(-c2ccccc2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(cccc2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5018,"CN(C)C(=O)SCCCCOc1ccccc1","62850-32-2","CN(C)C(=O)SCCCCOc1ccccc1","CN(C)C(=O)SCCCCOc1ccccc1",{"$nulls":4},253.113649848,"?"]
[5019,"Cc1c(Cl)cc(cc1Cl)C2=NNC(=O)C=C2","62865-36-5","Cc1c(Cl)cc(-c2ccc(=O)[nH]n2)cc1Cl","Cc1c(cc(cc1Cl)-c2n[nH]c(cc2)=O)Cl",{"$nulls":4},254.001368236,"?"]
[5020,"CCN(Cc1c(F)cccc1Cl)c2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O","62924-70-3","CCN(Cc1c(F)cccc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]","CCN(Cc1c(cccc1F)Cl)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",{"$nulls":4},421.04524642400025,"?"]
[5021,null,"63020-38-2",{"$nulls":7},""]
[5022,"N#CCON=C(C#N)c1ccccc1","63278-33-1","N#CCON=C(C#N)c1ccccc1","N#CCON=C(C#N)c1ccccc1",{"$nulls":4},185.058911844,"?"]
[5023,"OC(c1ccc(F)cc1)(c2cncnc2)c3ccccc3Cl","63284-71-9","OC(c1ccc(F)cc1)(c1cncnc1)c1ccccc1Cl","OC(c1ccc(cc1)F)(c2cncnc2)c3c(cccc3)Cl",{"$nulls":4},314.0622189040003,"?"]
[5024,"Clc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1","63646-51-5","Clc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1","Clc1ccc(cc1)Oc2cc(c(cc2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5025,null,"63718-48-9",{"$nulls":7},""]
[5026,"COC(=O)[CH](C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2","63729-98-6","COC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},335.0724492400004,"?"]
[5027,"CC(C)OC(=O)[CH](C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2","63782-90-1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",{"$nulls":4},363.10374936800054,"?"]
[5028,"CC[CH]1OC[CH](COc2ccc(Oc3ccccc3)cc2)O1","63837-33-2","CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1","CCC1OC(CO1)COc2ccc(cc2)Oc3ccccc3",{"$nulls":4},300.1361591200005,"?"]
[5029,"CCCN1C(=O)N(C)c2ncn(C)c2C1=O","63906-63-8","CCCn1c(=O)c2c(ncn2C)n(C)c1=O","CCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",{"$nulls":4},222.111675688,"?"]
[5030,"ClCCN(Cl)CCCl","63915-60-6","ClCCN(Cl)CCCl","ClCCN(Cl)CCCl",{"$nulls":4},174.972232296,"?"]
[5031,"CCOc1ccc(cc1)C2(CC2(Cl)Cl)C(=O)OC(C#N)c3cccc(Oc4ccccc4)c3","63935-38-6","CCOc1ccc(C2(C(=O)OC(C#N)c3cccc(Oc4ccccc4)c3)CC2(Cl)Cl)cc1","CCOc1ccc(cc1)C2(C(C2)(Cl)Cl)C(=O)OC(C#N)c3cc(ccc3)Oc4ccccc4",{"$nulls":4},481.08476351200056,"?"]
[5032,"CCOC(=O)N1CCN(CC1)CN2CCN(CC2)C(=O)OCC","63981-46-4","CCOC(=O)N1CCN(CN2CCN(C(=O)OCC)CC2)CC1","CCOC(=O)N1CCN(CC1)CN2CCN(CC2)C(=O)OCC",{"$nulls":4},328.21105537600073,"?"]
[5033,null,"64002-57-9",{"$nulls":7},""]
[5034,"CCCCNC(=O)N1C=C(F)C(=O)NC1=O","64098-82-4","CCCCNC(=O)n1cc(F)c(=O)[nH]c1=O","CCCCNC(=O)n1c([nH]c(c(c1)F)=O)=O",{"$nulls":4},229.086269464,"?"]
[5035,"CO[P](=S)(OC)SCC(=O)N(C(C)C)c1ccc(Cl)cc1","64249-01-0","COP(=S)(OC)SCC(=O)N(c1ccc(Cl)cc1)C(C)C","COP(=S)(OC)SCC(=O)N(c1ccc(cc1)Cl)C(C)C",{"$nulls":4},367.02324977800055,"?"]
[5036,"CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","64257-84-7","CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C",{"$nulls":4},349.16779359600065,"?"]
[5037,"C[CH](CCC(=O)NCC(O)=O)[CH]1CCC2C3[CH](O)C[CH]4C[CH](O)CC[C]4(C)C3CC[C]12C","64480-66-6","CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",{"$nulls":4},449.31412347600116,"?"]
[5038,"CCSC1=NN=C(C(=O)N1N)C(C)(C)C","64529-56-2","CCSc1nnc(C(C)(C)C)c(=O)n1N","CCSc1n(c(c(nn1)C(C)(C)C)=O)N",{"$nulls":4},228.104482132,"?"]
[5039,"FC(F)(F)Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1","64628-44-0","O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1","O=C(NC(=O)c1c(cccc1)Cl)Nc2ccc(cc2)OC(F)(F)F",{"$nulls":4},358.0332045200003,"?"]
[5040,"CCCCC1(C)C(C#N)C(=O)NC(=O)C1C#N","64635-92-3","CCCCC1(C)C(C#N)C(=O)NC(=O)C1C#N","CCCCC1(C(C(NC(C1C#N)=O)=O)C#N)C",{"$nulls":4},233.11642672,"?"]
[5041,null,"64649-43-0",{"$nulls":7},""]
[5042,null,"64649-57-6",{"$nulls":7},""]
[5043,null,"64649-63-4",{"$nulls":7},""]
[5044,null,"64682-95-7",{"$nulls":7},""]
[5045,null,"64991-30-6",{"$nulls":7},""]
[5046,null,"65029-15-4",{"$nulls":7},""]
[5047,null,"65075-00-5",{"$nulls":7},""]
[5048,null,"65267-24-5",{"$nulls":7},""]
[5049,null,"65267-25-6",{"$nulls":7},""]
[5050,null,"65267-26-7",{"$nulls":7},""]
[5051,null,"65267-27-8",{"$nulls":7},""]
[5052,"CN1C(=O)C(N)C(=S)N(C)C1=O","65413-42-5","CN1C(=O)C(N)C(=S)N(C)C1=O","CN1C(N(C(C(C1=O)N)=S)C)=O",{"$nulls":4},187.041547528,"?"]
[5053,"Clc1ccc(c(Cl)c1)c2ccc(Cl)c(Cl)c2Cl","65510-45-4","Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5054,null,"65882-61-3",{"$nulls":7},""]
[5055,"CCCCOC(=O)N(C)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12","65907-30-4","CCCCOC(=O)N(C)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2","CCCCOC(=O)N(C)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C",{"$nulls":4},382.1562429320007,"?"]
[5056,"CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+]([O-])=O","65934-94-3","CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+](=O)[O-]","CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+](=O)[O-]",{"$nulls":4},281.0899372000004,"?"]
[5057,"CC(=O)OC[CH]([CH](OC(C)=O)c1ccccc1)[N+]([O-])=O","65934-95-4","CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+](=O)[O-]","CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+](=O)[O-]",{"$nulls":4},281.0899372000004,"?"]
[5058,"Clc1ccc(CN(C2CCCC2)C(=O)Nc3ccccc3)cc1","66063-05-6","O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1","O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3",{"$nulls":4},328.1342409720006,"?"]
[5059,"CC(C)[CH](C(=O)O[CH](C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3","66230-04-4","CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl",{"$nulls":4},419.1288212440006,"?"]
[5060,"CCCC(Cn1cncn1)c2ccc(Cl)cc2Cl","66246-88-6","CCCC(Cn1cncn1)c1ccc(Cl)cc1Cl","CCCC(Cn1ncnc1)c2c(cc(cc2)Cl)Cl",{"$nulls":4},283.06430284000044,"?"]
[5061,null,"66261-38-9",{"$nulls":7},""]
[5062,null,"66318-15-8",{"$nulls":7},""]
[5063,"CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1","66332-96-5","CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1","CC(C)Oc1cc(ccc1)NC(=O)c2c(cccc2)C(F)(F)F",{"$nulls":4},323.1133134120005,"?"]
[5064,null,"66371-02-6",{"$nulls":7},""]
[5065,"NC(=O)CC(O)C(O)=O","66398-52-5","NC(=O)CC(O)C(=O)O","NC(=O)CC(O)C(=O)O",{"$nulls":4},133.037507704,"?"]
[5066,"CCOC(=O)C(C)Oc1ccc(Oc2oc3cc(Cl)ccc3n2)cc1","66441-23-4","CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",{"$nulls":4},361.07170029200046,"?"]
[5067,"Clc1cccc(Oc2ccc(Cl)c(Cl)c2)c1","66794-60-3","Clc1cccc(Oc2ccc(Cl)c(Cl)c2)c1","Clc1cc(ccc1)Oc2cc(c(cc2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5068,"CC1(C)[CH](C(Br)C(Br)(Br)Br)[CH]1C(=O)O[CH](C#N)c2cccc(Oc3ccccc3)c2","66841-25-6","CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1C(Br)C(Br)(Br)Br","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C(Br)C(Br)(Br)Br)C",{"$nulls":4},660.8098418680005,"?"]
[5069,null,"66947-87-3",{"$nulls":7},""]
[5070,null,"66950-37-6",{"$nulls":7},""]
[5071,"CNC(=O)Sc1ccc(O[S](C)(=O)=O)cc1","66952-49-6","CNC(=O)Sc1ccc(OS(C)(=O)=O)cc1","CNC(=O)Sc1ccc(cc1)OS(C)(=O)=O",{"$nulls":4},261.0129498320001,"?"]
[5072,null,"66984-18-7",{"$nulls":7},""]
[5073,"Clc1ccc2Oc3c(Cl)c(Cl)c(Cl)cc3Oc2c1","67028-18-6","Clc1ccc2c(c1)Oc1cc(Cl)c(Cl)c(Cl)c1O2","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)c(Cl)c3Cl",{"$nulls":4},319.8965400880001,"?"]
[5074,"CC(C)CCC1(C)C(=O)NC(=O)NC1=O","67051-30-3","CC(C)CCC1(C)C(=O)NC(=O)NC1=O","CC(C)CCC1(C(NC(NC1=O)=O)=O)C",{"$nulls":4},212.116092372,"?"]
[5075,"Cc1cccc(C)c1N(Cn2cccn2)C(=O)CCl","67129-08-2","Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl","Cc1c(c(ccc1)C)N(Cn2nccc2)C(=O)CCl",{"$nulls":4},277.09818981200044,"?"]
[5076,null,"67216-85-7",{"$nulls":7},""]
[5077,null,"67242-91-5",{"$nulls":7},""]
[5078,null,"67299-16-5",{"$nulls":7},""]
[5079,"CC(CN1CC(C)OC(C)C1)Cc2ccc(cc2)C(C)(C)C","67306-03-0","CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)OC(C)C1","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C",{"$nulls":4},303.2562146760009,"?"]
[5080,null,"67320-39-2",{"$nulls":7},""]
[5081,null,"67320-40-5",{"$nulls":7},""]
[5082,"CC1(C)[CH](C=C(Cl)Cl)[CH]1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2","67375-30-8","CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},415.07419882800053,"?"]
[5083,"CC1(C)CNC(=NC1)NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F","67485-29-4","CC1(C)CN=C(NN=C(C=Cc2ccc(C(F)(F)F)cc2)C=Cc2ccc(C(F)(F)F)cc2)NC1","CC1(CNC(=NC1)NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F)C",{"$nulls":4},494.19051608800066,"?"]
[5084,"Clc1cc2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c23)c(Cl)c1Cl","67562-39-4","Clc1cc2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c32)c(Cl)c1Cl","Clc1c(c(c2c(c1)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",{"$nulls":4},405.78470841200004,"?"]
[5085,"CC(CN1C[CH](C)O[CH](C)C1)Cc2ccc(cc2)C(C)(C)C","67564-91-4","CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)OC(C)C1","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C",{"$nulls":4},303.2562146760009,"?"]
[5086,"Brc1cc2oc3cc(Br)c(Br)cc3c2cc1Br","67733-57-7","Brc1cc2oc3cc(Br)c(Br)cc3c2cc1Br","Brc1c(cc2c(c1)oc3c2cc(c(c3)Br)Br)Br",{"$nulls":4},479.69956314800015,"?"]
[5087,"CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2","67747-09-5","CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1","CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2cncc2",{"$nulls":4},375.03080979200047,"?"]
[5088,"CCCCCCCCCCCc1ccccc1","67774-74-7","CCCCCCCCCCCc1ccccc1","CCCCCCCCCCCc1ccccc1",{"$nulls":4},232.219100896,"?"]
[5089,"CCOC(=O)CN(N=O)C(N)=O","67792-85-2","CCOC(=O)CN(N=O)C(N)=O","CCOC(=O)CN(N=O)C(N)=O",{"$nulls":4},175.059305768,"?"]
[5090,"CCOC(CN(CC(OCC)OCC)N=O)OCC","67856-67-1","CCOC(CN(CC(OCC)OCC)N=O)OCC","CCOC(CN(CC(OCC)OCC)N=O)OCC",{"$nulls":4},278.18417193200065,"?"]
[5091,"CCOC(CNCC(OCC)OCC)OCC","67856-69-3","CCOC(CNCC(OCC)OCC)OCC","CCOC(CNCC(OCC)OCC)OCC",{"$nulls":4},249.194008344,"?"]
[5092,"Brc1ccc(Br)c(c1)c2cc(Br)c(Br)cc2Br","67888-96-4","Brc1ccc(Br)c(-c2cc(Br)c(Br)cc2Br)c1","Brc1cc(c(cc1)Br)-c2c(cc(c(c2)Br)Br)Br",{"$nulls":4},543.6308106600002,"?"]
[5093,"CCCC(O)C=C","67928-93-2","C=CC(O)CCC","C=CC(O)CCC",{"$nulls":4},100.088815004,"?"]
[5094,null,"67967-11-7",{"$nulls":7},""]
[5095,"Clc1cc(Cl)c(cc1OCC#C)N2N=C3CCCCN3C2=O","68049-83-2","C#CCOc1cc(-n2nc3n(c2=O)CCCC3)c(Cl)cc1Cl","C#CCOc1c(cc(c(c1)-n2c(n3c(n2)CCCC3)=O)Cl)Cl",{"$nulls":4},337.03848201600033,"?"]
[5096,"CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2","68085-85-8","CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)C(F)(F)F)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},449.10055580800054,"?"]
[5097,"CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2sc3cc(ccc3n2)[N+]([O-])=O","68133-69-7","CC(=O)OCCN(CCC#N)c1ccc(N=Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1","CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2sc3c(n2)ccc([N+](=O)[O-])c3",{"$nulls":4},438.1110240560005,"?"]
[5098,"Clc1cc(NC(=O)Nc2ccccc2)ccn1","68157-60-8","O=C(Nc1ccccc1)Nc1ccnc(Cl)c1","O=C(Nc1ccccc1)Nc2cc(ncc2)Cl",{"$nulls":4},247.05123962,"?"]
[5099,"Clc1ccc(c(Cl)c1)c2c(Cl)cccc2Cl","68194-04-7","Clc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(cccc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5100,"Clc1ccc(c(Cl)c1)c2c(Cl)ccc(Cl)c2Cl","68194-05-8","Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5101,"Clc1ccc(c(Cl)c1)c2cc(Cl)cc(Cl)c2Cl","68194-07-0","Clc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(cc(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5102,"Clc1cc(Cl)cc(c1)c2c(Cl)ccc(Cl)c2Cl","68194-10-5","Clc1cc(Cl)cc(-c2c(Cl)ccc(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(ccc2Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5103,"Clc1ccc(cc1)c2c(Cl)c(Cl)cc(Cl)c2Cl","68194-11-6","Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5104,"Clc1cc(Cl)cc(c1)c2cc(Cl)c(Cl)cc2Cl","68194-12-7","Clc1cc(Cl)cc(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5105,"Clc1ccc(Cl)c(c1)c2c(Cl)cc(Cl)c(Cl)c2Cl","68194-14-9","Clc1ccc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5106,"Clc1cc(c(Cl)c(Cl)c1Cl)c2c(Cl)cccc2Cl","68194-15-0","Clc1cc(-c2c(Cl)cccc2Cl)c(Cl)c(Cl)c1Cl","Clc1c(c(c(c(c1)-c2c(cccc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5107,"Clc1cc(Cl)c(Cl)c(c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","68194-17-2","Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[5108,"CCOC(=O)CNc1nc(Cl)nc(NC(C)C)n1","68228-18-2","CCOC(=O)CNc1nc(Cl)nc(NC(C)C)n1","CCOC(=O)CNc1nc(nc(n1)Cl)NC(C)C",{"$nulls":4},273.09925243200047,"?"]
[5109,null,"68339-75-3",{"$nulls":7},""]
[5110,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2ccc(F)c(Oc3ccccc3)c2","68359-37-5","CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(c(cc2)F)Oc3ccccc3)C",{"$nulls":4},433.0647770160005,"?"]
[5111,"CC[S](=O)(=O)Oc1ccc2OCC(C)(C)c2c1","68505-69-1","CCS(=O)(=O)Oc1ccc2c(c1)C(C)(C)CO2","CCS(=O)(=O)Oc1cc2c(cc1)OCC2(C)C",{"$nulls":4},256.07692999200003,"?"]
[5112,"CCCCCCCCCCCCCc1ccccc1","68648-87-3","CCCCCCCCCCCCCc1ccccc1","CCCCCCCCCCCCCc1ccccc1",{"$nulls":4},260.2504010240001,"?"]
[5113,null,"68659-48-3",{"$nulls":7},""]
[5114,"CCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n2ccnc2","68694-11-1","CCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n1ccnc1","CCCOCC(=Nc1c(cc(cc1)Cl)C(F)(F)F)n2cncc2",{"$nulls":4},345.08557444000047,"?"]
[5115,"Clc1ccc(Oc2ccccc2Cl)c(Cl)c1","68914-97-6","Clc1ccc(Oc2ccccc2Cl)c(Cl)c1","Clc1cc(c(cc1)Oc2c(cccc2)Cl)Cl",{"$nulls":4},271.95624788400016,"?"]
[5116,null,"69079-96-5",{"$nulls":7},""]
[5117,"CC(C)N1C(=O)N(CSC1=NC(C)(C)C)c2ccccc2","69327-76-0","CC(C)N1C(=O)N(c2ccccc2)CSC1=NC(C)(C)C","CC(C)N1C(SCN(C1=O)c2ccccc2)=NC(C)(C)C",{"$nulls":4},305.1561833560006,"?"]
[5118,null,"69360-16-3",{"$nulls":7},""]
[5119,"Nc1c(Cl)c(F)nc(OCC(O)=O)c1Cl","69377-81-7","Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl","Nc1c(c(nc(c1Cl)F)OCC(=O)O)Cl",{"$nulls":4},253.9661256,"?"]
[5120,"CC(C)C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2","69409-94-5","CC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC(C)C(Nc1c(cc(cc1)C(F)(F)F)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3",{"$nulls":4},502.1271049040006,"?"]
[5121,null,"69497-24-1",{"$nulls":7},""]
[5122,"Clc1cccc(c1)N(C2CCOC2=O)C(=O)C3CC3","69581-33-5","O=C1OCCC1N(C(=O)C1CC1)c1cccc(Cl)c1","O=C1C(CCO1)N(C(=O)C2CC2)c3cc(ccc3)Cl",{"$nulls":4},279.0662209880004,"?"]
[5123,null,"69646-36-2",{"$nulls":7},""]
[5124,null,"69687-19-0",{"$nulls":7},""]
[5125,null,"69695-04-1",{"$nulls":7},""]
[5126,"OC(=O)c1occ(Cl)c1Cl","69727-40-8","O=C(O)c1occ(Cl)c1Cl","O=C(O)c1c(c(co1)Cl)Cl",{"$nulls":4},179.93809928399997,"?"]
[5127,null,"69732-99-6",{"$nulls":7},""]
[5128,"Clc1cc(Cl)cc(c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","69782-91-8","Clc1cc(Cl)cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[5129,"[Na+].CC(Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1)C([O-])=O","69806-34-4","CC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)[O-]","CC(Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl)C(=O)O","[Na+]",{"$nulls":3},383.0148144200002,"Structure has been neutralized"]
[5130,"COC(=O)C(C)Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1","69806-40-2","COC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl",{"$nulls":4},375.0485202360004,"?"]
[5131,"CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1","69806-50-4","CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1","CCCCOC(=O)C(C)Oc1ccc(cc1)Oc2ncc(cc2)C(F)(F)F",{"$nulls":4},383.1344427800006,"?"]
[5132,"COC(=O)c1ccc(C)cc1C2=NC(C)(C(C)C)C(=O)N2","69969-22-8","COC(=O)c1ccc(C)cc1C1=NC(C)(C(C)C)C(=O)N1","COC(=O)c1c(cc(cc1)C)C=2NC(C(N2)(C)C(C)C)=O",{"$nulls":4},288.1473925000006,"?"]
[5133,"COC(=O)c1cc(C)ccc1C2=NC(C)(C(C)C)C(=O)N2","69969-62-6","COC(=O)c1cc(C)ccc1C1=NC(C)(C(C)C)C(=O)N1","COC(=O)c1c(ccc(c1)C)C=2NC(C(N2)(C)C(C)C)=O",{"$nulls":4},288.1473925000006,"?"]
[5134,"CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(OC(F)F)cc3","70124-77-5","CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)F",{"$nulls":4},451.1595146560006,"?"]
[5135,"CCCCCCCCOC(=O)c1cccnc1","70136-02-6","CCCCCCCCOC(=O)c1cccnc1","CCCCCCCCOC(=O)c1cnccc1",{"$nulls":4},235.157228912,"?"]
[5136,null,"70278-03-4",{"$nulls":7},""]
[5137,"Clc1ccc(Cl)c(c1Cl)c2ccccc2Cl","70362-45-7","Clc1ccccc1-c1c(Cl)ccc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5138,"Clc1ccc(Cl)c(c1)c2cccc(Cl)c2Cl","70362-46-8","Clc1ccc(Cl)c(-c2cccc(Cl)c2Cl)c1","Clc1cc(c(cc1)Cl)-c2c(c(ccc2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5139,"Clc1ccccc1c2cc(Cl)c(Cl)cc2Cl","70362-47-9","Clc1cc(Cl)c(-c2ccccc2Cl)cc1Cl","Clc1c(cc(c(c1)Cl)-c2c(cccc2)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5140,"Clc1ccccc1c2cc(Cl)c(Cl)c(Cl)c2","70362-48-0","Clc1ccccc1-c1cc(Cl)c(Cl)c(Cl)c1","Clc1c(cccc1)-c2cc(c(c(c2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5141,null,"70404-40-9",{"$nulls":7},""]
[5142,"Clc1ccc(Cl)c(c1)c2cc(Cl)c(Cl)c(Cl)c2","70424-70-3","Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)c1","Clc1cc(c(cc1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5143,"[H+].[H+].[Cl-].[Cl-].OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12","70476-82-3","O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21","O=C1c2c(C(c3c1c(O)ccc3O)=O)c(NCCNCCO)ccc2NCCNCCO","[Cl-]","[Cl-]","[H+]","[H+]",516.1542400400007,"?"]
[5144,null,"70561-60-3",{"$nulls":7},""]
[5145,null,"70585-36-3",{"$nulls":7},""]
[5146,null,"70630-17-0",{"$nulls":7},""]
[5147,"ClCCN(CCCl)[P]1(=O)NCCCCO1","70772-73-5","O=P1(N(CCCl)CCCl)NCCCCO1","O=P1(OCCCCN1)N(CCCl)CCCl",{"$nulls":4},274.0404697740004,"?"]
[5148,null,"71119-13-6",{"$nulls":7},""]
[5149,null,"71119-16-9",{"$nulls":7},""]
[5150,null,"71119-19-2",{"$nulls":7},""]
[5151,null,"71119-21-6",{"$nulls":7},""]
[5152,null,"71119-24-9",{"$nulls":7},""]
[5153,null,"71119-25-0",{"$nulls":7},""]
[5154,"CCCc1sc(N[S](=O)(=O)c2ccc(N)cc2)nn1","71119-32-9","CCCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","CCCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},298.05581768800045,"?"]
[5155,null,"71119-34-1",{"$nulls":7},""]
[5156,null,"71119-36-3",{"$nulls":7},""]
[5157,null,"71119-38-5",{"$nulls":7},""]
[5158,null,"71119-39-6",{"$nulls":7},""]
[5159,"CCOc1ccnc(N[S](=O)(=O)c2ccc(N)cc2)n1","71138-72-2","CCOc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","CCOc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":4},294.07866130800045,"?"]
[5160,null,"71203-44-6",{"$nulls":7},""]
[5161,"CCOC(=O)[CH](C)Oc1ccc(Oc2oc3cc(Cl)ccc3n2)cc1","71283-80-2","CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",{"$nulls":4},361.07170029200046,"?"]
[5162,"CCCCCCN1CC(CC1=O)C(=O)OC","71548-53-3","CCCCCCN1CC(C(=O)OC)CC1=O","CCCCCCN1C(CC(C1)C(=O)OC)=O",{"$nulls":4},227.152143532,"?"]
[5163,"Cn1nc(C)c(C(=O)c2ccc(Cl)cc2Cl)c1OCC(=O)c3ccccc3","71561-11-0","Cc1nn(C)c(OCC(=O)c2ccccc2)c1C(=O)c1ccc(Cl)cc1Cl","Cc1c(c(n(n1)C)OCC(=O)c2ccccc2)C(=O)c3c(cc(cc3)Cl)Cl",{"$nulls":4},402.05379773200036,"?"]
[5164,"COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(C)cccc2C","71626-11-4","COC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C","COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(cccc2C)C",{"$nulls":4},325.16779359600065,"?"]
[5165,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2","71697-59-1","CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",{"$nulls":4},415.07419882800053,"?"]
[5166,null,"71720-65-5",{"$nulls":7},""]
[5167,null,"71720-66-6",{"$nulls":7},""]
[5168,"NC(=O)C(=NO)C(N)=O","71721-66-9","NC(=O)C(=NO)C(N)=O","NC(=O)C(=NO)C(N)=O",{"$nulls":4},131.03309102,"?"]
[5169,null,"71815-46-8",{"$nulls":7},""]
[5170,null,"71815-47-9",{"$nulls":7},""]
[5171,null,"71954-28-4",{"$nulls":7},""]
[5172,"[Na+].C[S](=O)(=O)[N-]C(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O","72178-02-0","CS(=O)(=O)[N-]C(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CS(=O)(=O)NC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","[Na+]",{"$nulls":3},459.97196362800025,"Structure has been neutralized"]
[5173,"CCOC(=O)C1(C)OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2","72391-46-9","CCOC(=O)C1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",{"$nulls":4},331.0014278120003,"?"]
[5174,"[O-][n+]1nc(nc2ccc(Cl)cc12)n3ccnc3","72459-58-6","[O-][n+]1nc(-n2ccnc2)nc2ccc(Cl)cc21","[O-][n+]1c2c(nc(n1)-n3cncc3)ccc(Cl)c2",{"$nulls":4},247.026087492,"?"]
[5175,"CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","72490-01-8","CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2",{"$nulls":4},301.1314080880005,"?"]
[5176,"CCCCN(CCOC(C)=O)c1ccc(N=Nc2c(cc(cc2C#N)[N+]([O-])=O)C#N)c(C)c1","72828-64-9","CCCCN(CCOC(C)=O)c1ccc(N=Nc2c(C#N)cc([N+](=O)[O-])cc2C#N)c(C)c1","CCCCN(CCOC(C)=O)c1cc(c(cc1)N=Nc2c(cc(cc2C#N)[N+](=O)[O-])C#N)C",{"$nulls":4},448.18590324800067,"?"]
[5177,"FC(F)(F)c1nc(Cl)sc1C(=O)OCc2ccccc2","72850-64-7","O=C(OCc1ccccc1)c1sc(Cl)nc1C(F)(F)F","O=C(OCc1ccccc1)c2c(nc(s2)Cl)C(F)(F)F",{"$nulls":4},320.9838118040002,"?"]
[5178,"CC(CCNC(=O)OCCOC(=O)C(C)=C)CC(C)(C)CNC(=O)OCCOC(=O)C(C)=C","72869-86-4","C=C(C)C(=O)OCCOC(=O)NCCC(C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C","C=C(C)C(=O)OCCOC(=O)NCCC(C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C",{"$nulls":4},470.26281617600097,"?"]
[5179,null,"72898-29-4",{"$nulls":7},""]
[5180,"CC(C)=CC1C(C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C","72963-72-5","C#CCN1CC(=O)N(COC(=O)C2C(C=C(C)C)C2(C)C)C1=O","C#CCN1C(N(C(C1)=O)COC(=O)C2C(C2C=C(C)C)(C)C)=O",{"$nulls":4},318.1579571840006,"?"]
[5181,"CN(C(=O)COc1sc2ccccc2n1)c3ccccc3","73250-68-7","CN(C(=O)COc1nc2ccccc2s1)c1ccccc1","CN(C(=O)COc1sc2c(n1)cccc2)c3ccccc3",{"$nulls":4},298.0775986880004,"?"]
[5182,"Clc1cccc(c1)c2cc(Cl)c(Cl)cc2Cl","73575-53-8","Clc1cccc(-c2cc(Cl)c(Cl)cc2Cl)c1","Clc1cc(ccc1)-c2c(cc(c(c2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5183,"Clc1ccccc1c2c(Cl)c(Cl)cc(Cl)c2Cl","73575-56-1","Clc1ccccc1-c1c(Cl)c(Cl)cc(Cl)c1Cl","Clc1c(cccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5184,"Clc1ccc(c(Cl)c1Cl)c2c(Cl)cccc2Cl","73575-57-2","Clc1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1Cl","Clc1c(c(c(cc1)-c2c(cccc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5185,null,"73727-45-4",{"$nulls":7},""]
[5186,"CCCCCCOC(=O)C(C)OC(=O)C(C)O","73747-55-4","CCCCCCOC(=O)C(C)OC(=O)C(C)O","CCCCCCOC(=O)C(C)OC(=O)C(C)O",{"$nulls":4},246.146723804,"?"]
[5187,null,"73937-25-4",{"$nulls":7},""]
[5188,"Fc1ccc(cc1)C(=O)C2CCN(CC2)CCN3C(=O)Nc4ccccc4C3=O","74050-98-9","O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1","O=C(c1ccc(cc1)F)C2CCN(CC2)CCn3c(c4c([nH]c3=O)cccc4)=O",{"$nulls":4},395.1645197840006,"?"]
[5189,null,"74059-43-1",{"$nulls":7},""]
[5190,"Nc1c(Cl)c(Oc2ccccc2)ccc1[N+]([O-])=O","74070-46-5","Nc1c([N+](=O)[O-])ccc(Oc2ccccc2)c1Cl","Nc1c(c(ccc1[N+](=O)[O-])Oc2ccccc2)Cl",{"$nulls":4},264.0301698280002,"?"]
[5191,null,"74099-07-3",{"$nulls":7},""]
[5192,"Clc1ccccc1c2nnc(nn2)c3ccccc3Cl","74115-24-5","Clc1ccccc1-c1nnc(-c2ccccc2Cl)nn1","Clc1c(cccc1)-c2nnc(nn2)-c3c(cccc3)Cl",{"$nulls":4},302.0126016160002,"?"]
[5193,"COC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(C)cc(C)n2","74222-97-2","COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)C)C",{"$nulls":4},364.0841406120005,"?"]
[5194,"Clc1cccc(c1)c2ccc(Cl)c(Cl)c2Cl","74338-24-2","Clc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1","Clc1cc(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5195,"Clc1ccc(cc1)c2cc(Cl)cc(Cl)c2Cl","74472-34-7","Clc1ccc(-c2cc(Cl)cc(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(cc(c2)Cl)Cl)Cl",{"$nulls":4},289.92236091200016,"?"]
[5196,"Clc1cccc(c1)c2c(Cl)c(Cl)cc(Cl)c2Cl","74472-36-9","Clc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5197,"Clc1ccc(cc1)c2cc(Cl)c(Cl)c(Cl)c2Cl","74472-37-0","Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5198,"Clc1ccc(cc1)c2c(Cl)cc(Cl)c(Cl)c2Cl","74472-38-1","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1","Clc1ccc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5199,"Clc1ccc(cc1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl","74472-42-7","Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5200,"Clc1ccc(cc1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl","74472-44-9","Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl","Clc1c(cc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5201,"Clc1ccc(Cl)c(c2cc(Cl)c(Cl)c(Cl)c2)c1Cl","74472-45-0","Clc1cc(-c2c(Cl)ccc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5202,"Clc1cc(Cl)cc(c1)c2c(Cl)c(Cl)cc(Cl)c2Cl","74472-46-1","Clc1cc(Cl)cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",{"$nulls":4},357.8444162080001,"?"]
[5203,"Clc1ccc(c(Cl)c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","74472-47-2","Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[5204,"Clc1cc(Cl)c(c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)c1Cl","74472-50-7","Clc1cc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[5205,"Clc1cc(Cl)cc(c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","74472-51-8","Clc1cc(Cl)cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1","Clc1cc(cc(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[5206,"Clc1cc(Cl)c(c(Cl)c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","74472-52-9","Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[5207,"Clc1cc(cc(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl","74472-53-0","Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",{"$nulls":4},425.76647150400004,"?"]
[5208,"Clc1cc(Cl)c(c(Cl)c1)c2c(Cl)c(Cl)cc(Cl)c2Cl","74487-85-7","Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1","Clc1cc(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",{"$nulls":4},391.80544385600007,"?"]
[5209,null,"74553-29-0",{"$nulls":7},""]
[5210,null,"74692-14-1",{"$nulls":7},""]
[5211,null,"74708-88-6",{"$nulls":7},""]
[5212,"CC(C)(C)C(Br)C(=O)NC(C)(C)c1ccccc1","74712-19-9","CC(C)(NC(=O)C(Br)C(C)(C)C)c1ccccc1","CC(C)(NC(=O)C(Br)C(C)(C)C)c1ccccc1",{"$nulls":4},311.08847642400065,"?"]
[5213,"Clc1cccc(c1Cl)c2c[nH]cc2C#N","74738-17-3","N#Cc1c[nH]cc1-c1cccc(Cl)c1Cl","N#Cc1c(c[nH]c1)-c2c(c(ccc2)Cl)Cl",{"$nulls":4},235.990803552,"?"]
[5214,null,"74778-22-6",{"$nulls":7},""]
[5215,"N#CC(=NOCC1OCCO1)c2ccccc2","74782-23-3","N#CC(=NOCC1OCCO1)c1ccccc1","N#CC(=NOCC1OCCO1)c2ccccc2",{"$nulls":4},232.084792244,"?"]
[5216,"CC(C)(C)C(O)C(Cc1ccc(Cl)cc1Cl)n2cncn2","75736-33-3","CC(C)(C)C(O)C(Cc1ccc(Cl)cc1Cl)n1cncn1","CC(C)(C)C(O)C(Cc1c(cc(cc1)Cl)Cl)n2ncnc2",{"$nulls":4},327.0905175880006,"?"]
[5217,"CCOC(=O)[CH](CCc1ccccc1)N[CH](C)C(=O)N2CCC[CH]2C(O)=O","75847-73-3","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C(=O)O","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C(CCC2)C(=O)O",{"$nulls":4},376.19982199600076,"?"]
[5218,"CCO[P](=O)(Cc1ccc(cc1)c2sc3ccccc3n2)OCC","75889-62-2","CCOP(=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)OCC","CCOP(=O)(Cc1ccc(cc1)-c2sc3c(n2)cccc3)OCC","P[H]OSP[H]ONIC",{"$nulls":3},648.9775469180007,"?"]
[5219,"CCN1CC(=O)N=C1N","76146-27-5","CCN1CC(=O)N=C1N","CCN1C(=NC(C1)=O)N",{"$nulls":4},127.07456190799999,"?"]
[5220,null,"76193-99-2",{"$nulls":7},""]
[5221,null,"76199-02-5",{"$nulls":7},""]
[5222,"OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc2cccc(Cl)c2Cl","76280-91-6","O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1cccc(Cl)c1Cl","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)Nc2c(c(ccc2)Cl)Cl",{"$nulls":4},444.84005910000013,"?"]
[5223,null,"76371-36-3",{"$nulls":7},""]
[5224,null,"76385-53-0",{"$nulls":7},""]
[5225,"CSCOC(=O)c1ccccc1OC(C)=O","76432-30-9","CSCOC(=O)c1ccccc1OC(C)=O","CSCOC(=O)c1c(cccc1)OC(C)=O",{"$nulls":4},240.045629864,"?"]
[5226,"CC(=O)Oc1ccccc1C(=O)OC[S](C)=O","76432-33-2","CC(=O)Oc1ccccc1C(=O)OCS(C)=O","CC(=O)Oc1c(cccc1)C(=O)OCS(C)=O",{"$nulls":4},256.040544484,"?"]
[5227,"CC(=O)Oc1ccccc1C(=O)OC[S](C)(=O)=O","76432-35-4","CC(=O)Oc1ccccc1C(=O)OCS(C)(=O)=O","CC(=O)Oc1c(cccc1)C(=O)OCS(C)(=O)=O",{"$nulls":4},272.0354591040003,"?"]
[5228,"CC(Oc1ccccc1Cl)C(O)=O","76466-16-5","CC(Oc1ccccc1Cl)C(=O)O","CC(Oc1c(cccc1)Cl)C(=O)O",{"$nulls":4},200.024021828,"?"]
[5229,"CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(O)=O","76578-12-6","CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)O",{"$nulls":4},344.0563845760003,"?"]
[5230,"CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","76578-14-8","CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",{"$nulls":4},372.08768470400054,"?"]
[5231,"OC(Cn1cncn1)(c2ccc(F)cc2)c3ccccc3F","76674-21-0","OC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F","OC(Cn1ncnc1)(c2ccc(cc2)F)c3c(cccc3)F",{"$nulls":4},301.10266847600036,"?"]
[5232,"CC(C)(C)[CH](O)C(Cc1ccc(Cl)cc1)n2cncn2.CC(C)(C)[CH](O)C(Cc3ccc(Cl)cc3)n4cncn4","76738-62-0","CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n2cncn2",{"$nulls":3},586.2589798800012,"?"]
[5233,"Clc1cccc(c2cc(Cl)c(Cl)c(Cl)c2)c1Cl","76842-07-4","Clc1cc(-c2cccc(Cl)c2Cl)cc(Cl)c1Cl","Clc1c(c(cc(c1)-c2c(c(ccc2)Cl)Cl)Cl)Cl",{"$nulls":4},323.8833885600001,"?"]
[5234,null,"77044-59-8",{"$nulls":7},""]
[5235,"[NH4+].C[P](O)(=O)CCC(N)C([O-])=O","77182-82-2","CP(=O)(O)CCC(N)C(=O)[O-]","CP(=O)(O)CCC(N)C(=O)O","[NH4+]",{"$nulls":3},198.07694358999998,"Structure has been neutralized"]
[5236,null,"77186-02-8",{"$nulls":7},""]
[5237,null,"77214-70-1",{"$nulls":7},""]
[5238,null,"77333-18-7",{"$nulls":7},""]
[5239,"CCCS[P](=O)(OCC)Oc1cnn(c1)c2ccc(Cl)cc2","77458-01-6","CCCSP(=O)(OCC)Oc1cnn(-c2ccc(Cl)cc2)c1","CCCSP(=O)(OCC)Oc1cn(nc1)-c2ccc(cc2)Cl",{"$nulls":4},360.04642774600046,"?"]
[5240,"CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O","77501-63-4","CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOC(=O)C(C)OC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",{"$nulls":4},461.04891416000044,"?"]
[5241,"CCOC(=O)COC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O","77501-90-7","CCOC(=O)COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]","CCOC(=O)COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",{"$nulls":4},447.0332640960003,"?"]
[5242,null,"77533-80-3",{"$nulls":7},""]
[5243,null,"77632-11-2",{"$nulls":7},""]
[5244,null,"77633-51-3",{"$nulls":7},""]
[5245,"COCC(=O)N(N1CCOC1=O)c2c(C)cccc2C","77732-09-3","COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O","COCC(=O)N(c1c(cccc1C)C)N2C(OCC2)=O",{"$nulls":4},278.1266570560005,"?"]
[5246,null,"78002-37-6",{"$nulls":7},""]
[5247,null,"78114-56-4",{"$nulls":7},""]
[5248,"CCC1(C(=O)NC(=O)N(CC(O)CO)C1=O)c2ccccc2","78183-37-6","CCC1(c2ccccc2)C(=O)NC(=O)N(CC(O)CO)C1=O","CCC1(C(N(C(NC1=O)=O)CC(O)CO)=O)c2ccccc2",{"$nulls":4},306.1215716760005,"?"]
[5249,"C[CH]1C(SC(=O)N1C(=O)NC2CCCCC2)c3ccc(Cl)cc3","78587-05-0","CC1C(c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCCC1","CC1N(C(SC1c2ccc(cc2)Cl)=O)C(=O)NC3CCCCC3",{"$nulls":4},352.1012265920006,"?"]
[5250,null,"79025-28-8",{"$nulls":7},""]
[5251,"CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","79127-80-3","CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2",{"$nulls":4},301.1314080880005,"?"]
[5252,"CCCCOC(=O)[CH](C)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1","79241-46-6","CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1","CCCCOC(=O)C(C)Oc1ccc(cc1)Oc2ncc(cc2)C(F)(F)F",{"$nulls":4},383.1344427800006,"?"]
[5253,"COC(=O)c1sccc1[S](=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2","79277-27-3","COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1","COC(=O)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC",{"$nulls":4},387.03072513600046,"?"]
[5254,"Cc1c(F)c(F)c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)c(F)c1F","79538-32-2","Cc1c(F)c(F)c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)c(F)c1F","Cc1c(c(c(c(c1F)F)COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)F)F",{"$nulls":4},418.0570549080004,"?"]
[5255,null,"79540-50-4",{"$nulls":7},""]
[5256,null,"79868-38-5",{"$nulls":7},""]
[5257,"CCC(C)(C)C(=O)O[CH]1C[CH](C)C=C2C=C[CH](C)[CH](CC[CH]3C[CH](O)CC(=O)O3)[CH]12","79902-63-9","CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21","CCC(C)(C)C(=O)OC1C2C(=CC(C1)C)C=CC(C)C2CCC3OC(CC(C3)O)=O",{"$nulls":4},418.271924316001,"?"]
[5258,"CCCCC(O)(Cn1cncn1)c2ccc(Cl)cc2Cl","79983-71-4","CCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl","CCCCC(O)(Cn1ncnc1)c2c(cc(cc2)Cl)Cl",{"$nulls":4},313.07486752400047,"?"]
[5259,"CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C","80060-09-9","CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C","CC(C)c1c(c(cc(c1)Oc2ccccc2)C(C)C)NC(=S)NC(C)(C)C",{"$nulls":4},384.22353464400095,"?"]
[5260,"CCOc1ccc(cc1)C(C)(C)COCc2cccc(Oc3ccccc3)c2","80844-07-1","CCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1","CCOc1ccc(cc1)C(C)(C)COCc2cc(ccc2)Oc3ccccc3",{"$nulls":4},376.20384475600076,"?"]
[5261,"CC(C)C1(C)N=C(NC1=O)c2ncccc2C(O)=O","81334-34-1","CC(C)C1(C)N=C(c2ncccc2C(=O)O)NC1=O","CC(C)C1(C(NC(=N1)c2c(cccn2)C(=O)O)=O)C",{"$nulls":4},261.11134134000014,"?"]
[5262,"CC(C)C1(C)N=C(NC1=O)c2nc3ccccc3cc2C(O)=O","81335-37-7","CC(C)C1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O","CC(C)C1(C(NC(=N1)c2c(cc3c(n2)cccc3)C(=O)O)=O)C",{"$nulls":4},311.1269914040004,"?"]
[5263,"CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(c1)C(O)=O","81335-77-5","CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1","CCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O",{"$nulls":4},289.14264146800053,"?"]
[5264,"COC(=O)c1ccc(C)cc1C2=NC(C)(C(C)C)C(=O)N2","81405-85-8","COC(=O)c1ccc(C)cc1C1=NC(C)(C(C)C)C(=O)N1","COC(=O)c1c(cc(cc1)C)C=2NC(C(N2)(C)C(C)C)=O",{"$nulls":4},288.1473925000006,"?"]
[5265,"CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl","81406-37-3","CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl","CCCCCCC(C)OC(=O)COc1c(c(c(c(n1)F)Cl)N)Cl",{"$nulls":4},366.0913261120006,"?"]
[5266,null,"81475-34-5",{"$nulls":7},""]
[5267,null,"81475-35-6",{"$nulls":7},""]
[5268,null,"81475-36-7",{"$nulls":7},""]
[5269,null,"81475-37-8",{"$nulls":7},""]
[5270,"CCCCCCCCCCCCNC(=O)c1cccnc1","81475-38-9","CCCCCCCCCCCCNC(=O)c1cccnc1","CCCCCCCCCCCCNC(=O)c1cnccc1",{"$nulls":4},290.2358135800008,"?"]
[5271,"CC1(C)CON(Cc2ccccc2Cl)C1=O","81777-89-1","CC1(C)CON(Cc2ccccc2Cl)C1=O","CC1(C(N(OC1)Cc2c(cccc2)Cl)=O)C",{"$nulls":4},239.071306368,"?"]
[5272,null,"81882-67-9",{"$nulls":7},""]
[5273,"COc1nc(C)nc(NC(=O)N[S](=O)(=O)c2ccccc2OCCCl)n1","82097-50-5","COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1","COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c2c(cccc2)OCCCl",{"$nulls":4},401.0560672920005,"?"]
[5274,"CCOC(=O)C(C)Oc1ccc(Oc2oc3cc(Cl)ccc3n2)cc1","82110-72-3","CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",{"$nulls":4},361.07170029200046,"?"]
[5275,null,"82153-77-3",{"$nulls":7},""]
[5276,"CC(C)(C)[CH](O)[CH](Oc1ccc(Cl)cc1)n2cncn2","82200-72-4","CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},295.10875449600053,"?"]
[5277,"OC(c1ccccc1)c2cc(Cl)ccc2NC(=O)c3ccncc3","82211-24-3","O=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccncc1","O=C(Nc1c(cc(cc1)Cl)C(O)c2ccccc2)c3ccncc3",{"$nulls":4},338.0822054000004,"?"]
[5278,null,"82310-91-6",{"$nulls":7},""]
[5279,"CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1","82558-50-7","CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1","CCC(C)(CC)c1noc(c1)NC(=O)c2c(cccc2OC)OC",{"$nulls":4},332.1736072480007,"?"]
[5280,"CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12)C(C)C","82560-54-1","CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(C)C","CCOC(=O)CCN(SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C)C(C)C",{"$nulls":4},410.1875430600008,"?"]
[5281,null,"82655-81-0",{"$nulls":7},""]
[5282,"Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1c3ccccc3","82657-04-3","Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1","Cc1c(cccc1COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)-c3ccccc3",{"$nulls":4},422.1260422840006,"?"]
[5283,"Cn1nc(C)c(C(=O)c2ccc(Cl)c(C)c2Cl)c1OCC(=O)c3ccc(C)cc3","82692-44-2","Cc1ccc(C(=O)COc2c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn2C)cc1","Cc1ccc(cc1)C(=O)COc2n(nc(c2C(=O)c3c(c(c(cc3)Cl)C)Cl)C)C",{"$nulls":4},430.0850978600005,"?"]
[5284,null,"82971-12-8",{"$nulls":7},""]
[5285,"COC(=O)c1ccccc1C[S](=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2","83055-99-6","COC(=O)c1ccccc1CS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","COC(=O)c1c(cccc1)CS(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",{"$nulls":4},410.0896199160005,"?"]
[5286,"Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(Cl)c(F)c(Cl)c2F","83121-18-0","O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(F)c(Cl)c1F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(c(c(c(c2)Cl)F)Cl)F",{"$nulls":4},379.97424567200017,"?"]
[5287,"CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC","83130-01-2","CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC","CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC",{"$nulls":4},399.1286482800007,"?"]
[5288,"Fc1ccc(NC(=O)c2cccnc2Oc3cccc(c3)C(F)(F)F)c(F)c1","83164-33-4","O=C(Nc1ccc(F)cc1F)c1cccnc1Oc1cccc(C(F)(F)F)c1","O=C(Nc1c(cc(cc1)F)F)c2c(nccc2)Oc3cc(ccc3)C(F)(F)F",{"$nulls":4},394.0740686920003,"?"]
[5289,null,"83442-56-2",{"$nulls":7},""]
[5290,null,"83572-31-0",{"$nulls":7},""]
[5291,"CC(C)(C)[CH](O)C(=Cc1ccc(Cl)cc1)n2cncn2","83657-17-4","CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},291.11383987600055,"?"]
[5292,"CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n2cncn2","83657-22-1","CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},291.11383987600055,"?"]
[5293,"CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1Cl)n2cncn2","83657-24-3","CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1Cl)n1cncn1","CC(C)(C)C(O)C(=Cc1c(cc(cc1)Cl)Cl)n2ncnc2",{"$nulls":4},325.0748675240005,"?"]
[5294,"CCCC(=O)N(CS[P](=S)(OC)OC)c1ccccc1Cl","83733-82-8","CCCC(=O)N(CSP(=S)(OC)OC)c1ccccc1Cl","CCCC(=O)N(CSP(=S)(OC)OC)c1c(cccc1)Cl",{"$nulls":4},367.02324977800055,"?"]
[5295,null,"83848-59-3",{"$nulls":7},""]
[5296,"[O-][S](=O)(=O)c1ccc2oc3ccccc3c2c1","83863-63-2","O=S(=O)([O-])c1ccc2oc3ccccc3c2c1","O=S(=O)(O)c1cc2c(cc1)oc3c2cccc3",{"$nulls":4},247.006504704,"Structure has been neutralized"]
[5297,"O.O.NCCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2CCC[CH]2C(O)=O","83915-83-7","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N2C(CCC2)C(=O)O","O","O",null,null,441.2475004600008,"?"]
[5298,"CCOC(=O)C1(C)OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2","84332-86-5","CCOC(=O)C1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",{"$nulls":4},331.0014278120003,"?"]
[5299,"Nc1ncc2ncn(COCCO)c2n1","84408-37-7","Nc1ncc2ncn(COCCO)c2n1","Nc1nc2c(cn1)ncn2COCCO",{"$nulls":4},209.091274592,"?"]
[5300,"CC(Oc1ccc(Cl)c(C)c1Cl)C(=O)Nc2ccccc2","84496-56-0","Cc1c(Cl)ccc(OC(C)C(=O)Nc2ccccc2)c1Cl","Cc1c(c(ccc1Cl)OC(C)C(=O)Nc2ccccc2)Cl",{"$nulls":4},323.04798408000045,"?"]
[5301,null,"84549-06-4",{"$nulls":7},""]
[5302,null,"84629-00-5",{"$nulls":7},""]
[5303,null,"84659-98-3",{"$nulls":7},""]
[5304,"CCC(=O)OCc1ccc(Cl)cc1Cl","85262-94-8","CCC(=O)OCc1ccc(Cl)cc1Cl","CCC(=O)OCc1c(cc(cc1)Cl)Cl",{"$nulls":4},232.00578492,"?"]
[5305,"C[Si](Cn1cncn1)(c2ccc(F)cc2)c3ccc(F)cc3","85509-19-9","C[Si](Cn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1","C[Si](Cn1ncnc1)(c2ccc(cc2)F)c3ccc(cc3)F",{"$nulls":4},315.1003304500004,"?"]
[5306,null,"85576-52-9",{"$nulls":7},""]
[5307,"OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O","85721-33-1","O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O","O=C(O)c1c(c2c(n(c1)C3CC3)cc(N4CCNCC4)c(F)c2)=O",{"$nulls":4},331.13321965600045,"?"]
[5308,null,"85763-15-1",{"$nulls":7},""]
[5309,"CCN(C(C)C(C)C)C(=O)SCc1ccccc1","85785-20-2","CCN(C(=O)SCc1ccccc1)C(C)C(C)C","CCN(C(=O)SCc1ccccc1)C(C)C(C)C",{"$nulls":4},265.1500353560003,"?"]
[5310,"COC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2","86209-51-0","COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC(F)F)OC(F)F",{"$nulls":4},468.03628260400035,"?"]
[5311,"FC(F)C(F)(F)Oc1c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl","86479-06-3","O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)F)c(Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(c(c2)Cl)OC(F)(F)C(F)F)Cl",{"$nulls":4},459.9816167960002,"?"]
[5312,"Clc1ccc(CSC(Cn2cncn2)=Nc3ccc(Cl)cc3Cl)cc1","86598-92-7","Clc1ccc(CSC(Cn2cncn2)=Nc2ccc(Cl)cc2Cl)cc1","Clc1ccc(cc1)CSC(Cn2ncnc2)=Nc3c(cc(cc3)Cl)Cl",{"$nulls":4},409.9926504560003,"?"]
[5313,"CCc1cccc(C)c1N(COC(C)C)C(=O)CCl","86763-47-5","CCc1cccc(C)c1N(COC(C)C)C(=O)CCl","CCc1c(c(ccc1)C)N(COC(C)C)C(=O)CCl",{"$nulls":4},283.1339066240006,"?"]
[5314,"Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)c(Oc3ncc(cc3Cl)C(F)(F)F)c2","86811-58-7","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c1","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)Cl)Oc3c(cc(cn3)C(F)(F)F)Cl",{"$nulls":4},505.0019376400003,"?"]
[5315,null,"87052-64-0",{"$nulls":7},""]
[5316,"CCOc1ccc(NC(=O)OC(C)C)cc1OCC","87130-20-9","CCOc1ccc(NC(=O)OC(C)C)cc1OCC","CCOc1c(cc(cc1)NC(=O)OC(C)C)OCC",{"$nulls":4},267.14705815200034,"?"]
[5317,"CCOCCOC(=O)C(C)Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1","87237-48-7","CCOCCOC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1","CCOCCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl",{"$nulls":4},433.09038504800054,"?"]
[5318,"CCc1cccc(CC)c1N(COCC=CC)C(=O)CCl","87310-56-3","CC=CCOCN(C(=O)CCl)c1c(CC)cccc1CC","CC=CCOCN(C(=O)CCl)c1c(cccc1CC)CC",{"$nulls":4},309.14955668800064,"?"]
[5319,"CCCCCOC(=O)COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl","87546-18-7","CCCCCOC(=O)COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl","CCCCCOC(=O)COc1c(cc(c(c1)N2C(C3=C(C2=O)CCCC3)=O)F)Cl",{"$nulls":4},423.1248787360006,"?"]
[5320,"COCC(C)N(C(=O)CCl)c1c(C)scc1C","87674-68-8","COCC(C)N(C(=O)CCl)c1c(C)csc1C","COCC(C)N(C(=O)CCl)c1c(scc1C)C",{"$nulls":4},275.0746774960005,"?"]
[5321,"CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N3CCCO3","87757-18-4","CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N1CCCO1","CC(Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl)C(=O)N3OCCC3",{"$nulls":4},382.04871235200045,"?"]
[5322,"CC(C)C12CCC(C)(O1)C(C2)OCc3ccccc3C","87818-31-3","Cc1ccccc1COC1CC2(C(C)C)CCC1(C)O2","Cc1c(cccc1)COC2C3(CCC(C2)(O3)C(C)C)C",{"$nulls":4},274.1932800720005,"?"]
[5323,null,"87970-03-4",{"$nulls":7},""]
[5324,null,"87970-05-6",{"$nulls":7},""]
[5325,null,"87984-85-8",{"$nulls":7},""]
[5326,null,"87989-21-7",{"$nulls":7},""]
[5327,null,"88333-02-2",{"$nulls":7},""]
[5328,"FC(F)(F)C(=NOCC1OCCO1)c2ccc(Cl)cc2","88485-37-4","FC(F)(F)C(=NOCC1OCCO1)c1ccc(Cl)cc1","FC(F)(F)C(=NOCC1OCCO1)c2ccc(cc2)Cl",{"$nulls":4},309.0379555520003,"?"]
[5329,"CCCCC(Cn1cncn1)(C#N)c2ccc(Cl)cc2","88671-89-0","CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1","CCCCC(C#N)(Cn1ncnc1)c2ccc(cc2)Cl",{"$nulls":4},288.11417422400046,"?"]
[5330,"COc1cccc(n1)N(C)C(=S)Oc2cccc(c2)C(C)(C)C","88678-67-5","COc1cccc(N(C)C(=S)Oc2cccc(C(C)(C)C)c2)n1","COc1nc(ccc1)N(C)C(=S)Oc2cc(ccc2)C(C)(C)C",{"$nulls":4},330.14019894400064,"?"]
[5331,null,"88917-04-8",{"$nulls":7},""]
[5332,null,"88917-05-9",{"$nulls":7},""]
[5333,"CCC(OCCCOC)OC(C)=O","88917-22-0","CCC(OCCCOC)OC(C)=O","CCC(OCCCOC)OC(C)=O",{"$nulls":4},190.120509056,"?"]
[5334,null,"89167-84-0",{"$nulls":7},""]
[5335,"Cc1cc(C)nc(NN=C(C)c2ccccc2C)n1","89269-64-7","CC(=NNc1nc(C)cc(C)n1)c1ccccc1C","CC(=NNc1nc(cc(n1)C)C)c2c(cccc2)C",{"$nulls":4},254.15314657599998,"?"]
[5336,null,"89322-91-8",{"$nulls":7},""]
[5337,null,"89395-25-5",{"$nulls":7},""]
[5338,null,"89418-24-6",{"$nulls":7},""]
[5339,"CC(C)(C)[CH](O)[CH](Oc1ccc(Cl)cc1)n2cncn2","89482-17-7","CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2",{"$nulls":4},295.10875449600053,"?"]
[5340,null,"89794-65-0",{"$nulls":7},""]
[5341,null,"89795-86-8",{"$nulls":7},""]
[5342,null,"89851-12-7",{"$nulls":7},""]
[5343,null,"89877-62-3",{"$nulls":7},""]
[5344,null,"89966-38-1",{"$nulls":7},""]
[5345,null,"89979-51-1",{"$nulls":7},""]
[5346,"COc1c(N)c(C=O)ccc1O","89984-23-6","COc1c(O)ccc(C=O)c1N","COc1c(c(ccc1O)C=O)N",{"$nulls":4},167.058243148,"?"]
[5347,null,"90072-77-8",{"$nulls":7},""]
[5348,null,"90114-01-5",{"$nulls":7},""]
[5349,null,"90201-13-1",{"$nulls":7},""]
[5350,null,"90243-80-4",{"$nulls":7},""]
[5351,null,"90324-88-2",{"$nulls":7},""]
[5352,null,"90414-69-0",{"$nulls":7},""]
[5353,null,"90438-06-5",{"$nulls":7},""]
[5354,null,"90677-53-5",{"$nulls":7},""]
[5355,"Cc1cnc2c(ccc(Cl)c2C(O)=O)c1","90717-03-6","Cc1cnc2c(C(=O)O)c(Cl)ccc2c1","Cc1cc2c(nc1)c(C(=O)O)c(Cl)cc2",{"$nulls":4},221.024356176,"?"]
[5356,null,"90728-91-9",{"$nulls":7},""]
[5357,null,"90770-17-5",{"$nulls":7},""]
[5358,null,"90796-83-1",{"$nulls":7},""]
[5359,null,"90841-50-2",{"$nulls":7},""]
[5360,null,"90870-76-1",{"$nulls":7},""]
[5361,"CC(C)(OC1CCCCC1)C(O)=O","91007-35-1","CC(C)(OC1CCCCC1)C(=O)O","CC(C)(OC1CCCCC1)C(=O)O",{"$nulls":4},186.125594436,"?"]
[5362,null,"91061-49-3",{"$nulls":7},""]
[5363,null,"91114-65-7",{"$nulls":7},""]
[5364,null,"91133-69-6",{"$nulls":7},""]
[5365,null,"91330-81-3",{"$nulls":7},""]
[5366,null,"91499-08-0",{"$nulls":7},""]
[5367,null,"91569-89-0",{"$nulls":7},""]
[5368,null,"91732-73-9",{"$nulls":7},""]
[5369,null,"91761-25-0",{"$nulls":7},""]
[5370,null,"91890-87-8",{"$nulls":7},""]
[5371,null,"92038-29-4",{"$nulls":7},""]
[5372,null,"92059-15-9",{"$nulls":7},""]
[5373,null,"92150-32-8",{"$nulls":7},""]
[5374,null,"92347-84-7",{"$nulls":7},""]
[5375,null,"92371-84-1",{"$nulls":7},""]
[5376,null,"92402-78-3",{"$nulls":7},""]
[5377,"CN1C=NC2=C(N(C)C(=O)N(C)C2=O)C1=O","92474-94-7","Cn1cnc2c(=O)n(C)c(=O)n(C)c2c1=O","Cn1c(c2c(nc1)c(=O)n(C)c(=O)n2C)=O",{"$nulls":4},222.07529018,"?"]
[5378,null,"92695-66-4",{"$nulls":7},""]
[5379,"[O-]C(=O)CN[S](=O)(=O)c1ccc2ccccc2c1","92740-48-2","O=C([O-])CNS(=O)(=O)c1ccc2ccccc2c1","O=C(O)CNS(=O)(=O)c1cc2c(cc1)cccc2",{"$nulls":4},264.03305380000023,"Structure has been neutralized"]
[5380,null,"92776-66-4",{"$nulls":7},""]
[5381,null,"92876-74-9",{"$nulls":7},""]
[5382,null,"93037-15-1",{"$nulls":7},""]
[5383,null,"93146-89-5",{"$nulls":7},""]
[5384,null,"93506-59-3",{"$nulls":7},""]
[5385,"CCOC(=O)c1cnn(C)c1[S](=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2","93697-74-6","CCOC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCOC(=O)c1c(n(nc1)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",{"$nulls":4},414.0957679160005,"?"]
[5386,null,"93886-70-5",{"$nulls":7},""]
[5387,"CC(C1CC1)C(O)(Cn2cncn2)c3ccc(Cl)cc3","94361-06-5","CC(C1CC1)C(O)(Cn1cncn1)c1ccc(Cl)cc1","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl",{"$nulls":4},291.1138398760005,"?"]
[5388,null,"94361-07-6",{"$nulls":7},""]
[5389,null,"94591-19-2",{"$nulls":7},""]
[5390,"COCCOc1ccccc1[S](=O)(=O)NC(=O)Nc2nc(OC)nc(OC)n2","94593-91-6","COCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC)nc(OC)n1","COCCOc1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OC)OC",{"$nulls":4},413.10051894800057,"?"]
[5391,null,"94617-43-3",{"$nulls":7},""]
[5392,null,"94626-92-3",{"$nulls":7},""]
[5393,"CCO[P](=O)(SC(C)CC)SC(C)CC","95465-99-9","CCOP(=O)(SC(C)CC)SC(C)CC","CCOP(=O)(SC(C)CC)SC(C)CC",{"$nulls":4},270.0877086060004,"?"]
[5394,null,"95470-42-1",{"$nulls":7},""]
[5395,null,"95832-60-3",{"$nulls":7},""]
[5396,null,"95948-65-5",{"$nulls":7},""]
[5397,"CCO[P](=S)(OC(C)C)Oc1cnc(nc1)C(C)(C)C","96182-53-5","CCOP(=S)(Oc1cnc(C(C)(C)C)nc1)OC(C)C","CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C",{"$nulls":4},318.1167002260006,"?"]
[5398,null,"96435-08-4",{"$nulls":7},""]
[5399,null,"96448-60-1",{"$nulls":7},""]
[5400,null,"96448-61-2",{"$nulls":7},""]
[5401,null,"96448-63-4",{"$nulls":7},""]
[5402,null,"96474-05-4",{"$nulls":7},""]
[5403,"CC(C)(C)N1N=CC(=C(Cl)C1=O)SCc2ccc(cc2)C(C)(C)C","96489-71-3","CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cc1","CC(C)(C)c1ccc(cc1)CSc2c(c(n(nc2)C(C)(C)C)=O)Cl",{"$nulls":4},364.1376121000007,"?"]
[5404,"COc1ccsc1CN(C(=O)CCl)c2c(C)cccc2C","96491-05-3","COc1ccsc1CN(C(=O)CCl)c1c(C)cccc1C","COc1c(scc1)CN(C(=O)CCl)c2c(cccc2C)C",{"$nulls":4},323.0746774960005,"?"]
[5405,"CNC1=C(C(=O)C(O1)c2ccccc2)c3cccc(c3)C(F)(F)F","96525-23-4","CNC1=C(c2cccc(C(F)(F)F)c2)C(=O)C(c2ccccc2)O1","CNC=1OC(C(C1c2cc(ccc2)C(F)(F)F)=O)c3ccccc3",{"$nulls":4},333.0976633480004,"?"]
[5406,null,"96945-44-7",{"$nulls":7},""]
[5407,"COC(=O)C1(CC1)[S](=O)(=O)c2ccccc2","97383-42-1","COC(=O)C1(S(=O)(=O)c2ccccc2)CC1","COC(=O)C1(CC1)S(=O)(=O)c2ccccc2",{"$nulls":4},240.045629864,"?"]
[5408,"ClC(Cl)C(=O)N(CC=C)CC(=O)NCC=C","97454-00-7","C=CCNC(=O)CN(CC=C)C(=O)C(Cl)Cl","C=CCNC(=O)CN(CC=C)C(=O)C(Cl)Cl",{"$nulls":4},264.0432330480002,"?"]
[5409,"CCOc1nc(NC)nc(NC(=O)N[S](=O)(=O)c2ccccc2C(=O)OC)n1","97780-06-8","CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1","CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC",{"$nulls":4},410.1008532960005,"?"]
[5410,null,"97855-56-6",{"$nulls":7},""]
[5411,"CSC(=O)c1c(CC(C)C)c(C(=O)SC)c(nc1C(F)F)C(F)(F)F","97886-45-8","CSC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C","CSC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C(=O)SC)CC(C)C",{"$nulls":4},401.0542618520004,"?"]
[5412,null,"98022-43-6",{"$nulls":7},""]
[5413,null,"98022-62-9",{"$nulls":7},""]
[5414,null,"98025-96-8",{"$nulls":7},""]
[5415,null,"98070-12-3",{"$nulls":7},""]
[5416,null,"98137-88-3",{"$nulls":7},""]
[5417,null,"98197-51-4",{"$nulls":7},""]
[5418,null,"98335-22-9",{"$nulls":7},""]
[5419,null,"98552-24-0",{"$nulls":7},""]
[5420,null,"98590-07-9",{"$nulls":7},""]
[5421,"CC1COc2ccccc2N1C(=O)C(Cl)Cl","98730-04-2","CC1COc2ccccc2N1C(=O)C(Cl)Cl","CC1N(c2c(OC1)cccc2)C(=O)C(Cl)Cl",{"$nulls":4},259.01668395200005,"?"]
[5422,null,"98801-82-2",{"$nulls":7},""]
[5423,null,"98827-16-8",{"$nulls":7},""]
[5424,null,"98827-17-9",{"$nulls":7},""]
[5425,null,"98827-18-0",{"$nulls":7},""]
[5426,null,"98827-19-1",{"$nulls":7},""]
[5427,null,"98827-20-4",{"$nulls":7},""]
[5428,null,"98827-27-1",{"$nulls":7},""]
[5429,null,"98841-58-8",{"$nulls":7},""]
[5430,null,"98846-64-1",{"$nulls":7},""]
[5431,null,"98846-65-2",{"$nulls":7},""]
[5432,null,"98846-66-3",{"$nulls":7},""]
[5433,"CCO[P](=O)(SC(C)CC)N1CCSC1=O","98886-44-3","CCOP(=O)(SC(C)CC)N1CCSC1=O","CCOP(=O)(SC(C)CC)N1C(SCC1)=O",{"$nulls":4},283.04657206600046,"?"]
[5434,"Cc1ccn2nc(nc2n1)[S](=O)(=O)Nc3c(F)cccc3F","98967-40-9","Cc1ccn2nc(S(=O)(=O)Nc3c(F)cccc3F)nc2n1","Cc1nc2n(cc1)nc(S(=O)(=O)Nc3c(cccc3F)F)n2",{"$nulls":4},325.04450196800025,"?"]
[5435,null,"99057-45-1",{"$nulls":7},""]
[5436,"C[S](=O)(=O)c1ccc(c(Cl)c1)C(=O)C2C(=O)CCCC2=O","99105-77-8","CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1","CS(=O)(=O)c1cc(c(cc1)C(=O)C2C(CCCC2=O)=O)Cl",{"$nulls":4},328.0172221960003,"?"]
[5437,null,"99185-20-3",{"$nulls":7},""]
[5438,null,"99185-21-4",{"$nulls":7},""]
[5439,null,"99506-67-9",{"$nulls":7},""]
[5440,null,"99512-70-6",{"$nulls":7},""]
[5441,null,"99584-31-3",{"$nulls":7},""]
[5442,"CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12","99607-70-2","CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12","CCCCCC(C)OC(=O)COc1c2c(c(cc1)Cl)cccn2",{"$nulls":4},335.1288212440007,"?"]
[5443,null,"99669-83-7",{"$nulls":7},""]
[5444,null,"99991-56-7",{"$nulls":7},""]
[5445,null,"100053-24-5",{"$nulls":7},""]
[5446,null,"100060-07-9",{"$nulls":7},""]
[5447,null,"100128-07-2",{"$nulls":7},""]
[5448,"[NH3+][CH](CC([O-])=O)c1cccc2ccccc12","100393-41-7","[NH3+]C(CC(=O)[O-])c1cccc2ccccc12","NC(CC(=O)O)c1c2c(ccc1)cccc2",{"$nulls":4},215.094628656,"Structure has been neutralized"]
[5449,null,"100618-60-8",{"$nulls":7},""]
[5450,"CCOC(=O)[CH](C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","100646-51-3","CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",{"$nulls":4},372.08768470400054,"?"]
[5451,"COC(=O)c1c(Cl)nn(C)c1[S](=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2","100784-20-1","COC(=O)c1c(Cl)nn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","COC(=O)c1c(n(nc1Cl)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",{"$nulls":4},434.0411455000004,"?"]
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[5630,null,"119018-06-3",{"$nulls":7},""]
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[5632,"CCc1nn(C)c(C(=O)NCc2ccc(cc2)C(C)(C)C)c1Cl","119168-77-3","CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl","CCc1c(c(n(n1)C)C(=O)NCc2ccc(cc2)C(C)(C)C)Cl",{"$nulls":4},333.16079006800067,"?"]
[5633,"CC1COC(Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl","119446-68-3","CC1COC(Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1","CC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Oc4ccc(cc4)Cl)Cl",{"$nulls":4},405.0646967640005,"?"]
[5634,null,"119731-18-9",{"$nulls":7},""]
[5635,"CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCC4CCCO4","119738-06-6","CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCC1CCCO1","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)OCC4OCCC4",{"$nulls":4},428.1138994520005,"?"]
[5636,"Nc1n(nc(C#N)c1[S](=O)C(F)(F)F)c2c(Cl)cc(cc2Cl)C(F)(F)F","120068-37-3","N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F","N#Cc1c(c(n(n1)-c2c(cc(cc2Cl)C(F)(F)F)Cl)N)S(=O)C(F)(F)F",{"$nulls":4},435.9387064280001,"?"]
[5637,"COc1cc(OC)nc(NC(=O)N[S](=O)(=O)c2n(C)ncc2c3nnn(C)n3)n1","120162-55-2","COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(-c3nnn(C)n3)cnn2C)n1","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n(ncc2-c3nn(nn3)C)C",{"$nulls":4},424.1025846120006,"?"]
[5638,null,"120738-89-8",{"$nulls":7},""]
[5639,"CC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1","120928-09-8","CC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1","CC(C)(C)c1ccc(cc1)CCOc2c3c(ncn2)cccc3",{"$nulls":4},306.1732133240006,"?"]
[5640,null,"121082-77-7",{"$nulls":7},""]
[5641,"Cc1cc(nc(Nc2ccccc2)n1)C3CC3","121552-61-2","Cc1cc(C2CC2)nc(Nc2ccccc2)n1","Cc1nc(nc(c1)C2CC2)Nc3ccccc3",{"$nulls":4},225.12659748,"?"]
[5642,"CC1(C)OC(CN1C(=O)C(Cl)Cl)c2occc2","121776-33-8","CC1(C)OC(c2ccco2)CN1C(=O)C(Cl)Cl","CC1(N(CC(O1)c2occc2)C(=O)C(Cl)Cl)C",{"$nulls":4},277.02724863600037,"?"]
[5644,null,"122510-85-4",{"$nulls":7},""]
[5645,"COc1cc(OC)nc(NC(=O)N[S](=O)(=O)c2n3ccccc3nc2Cl)n1","122548-33-8","COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(Cl)nc3ccccn23)n1","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n3c(nc2Cl)cccc3",{"$nulls":4},412.0356661960004,"?"]
[5646,null,"122723-93-7",{"$nulls":7},""]
[5647,"CC[S](=O)(=O)c1cccnc1[S](=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2","122931-48-0","CCS(=O)(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCS(=O)(=O)c1c(nccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",{"$nulls":4},431.0569398840005,"?"]
[5648,null,"123202-89-1",{"$nulls":7},""]
[5649,"CC1=NNC(=O)N(C1)N=Cc2cccnc2","123312-89-0","CC1=NNC(=O)N(N=Cc2cccnc2)C1","CC=1CN(C(NN1)=O)N=Cc2cnccc2",{"$nulls":4},217.096359972,"?"]
[5650,null,"123411-56-3",{"$nulls":7},""]
[5651,null,"123469-53-4",{"$nulls":7},""]
[5652,null,"123796-70-3",{"$nulls":7},""]
[5653,"Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1","124495-18-7","Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1","Fc1ccc(cc1)Oc2c3c(ncc2)cc(Cl)cc3Cl",{"$nulls":4},306.9966974560002,"?"]
[5654,"CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)Cn3cncn3","125116-23-6","CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1","CC1(C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C",{"$nulls":4},319.14514000400067,"?"]
[5655,"CC(C)C1CCC(Cc2ccc(Cl)cc2)C1(O)Cn3cncn3","125225-28-7","CC(C)C1CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1","CC(C)C1C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3",{"$nulls":4},333.1607900680007,"?"]
[5656,"CCN(CC)C(=O)n1cnc(n1)[S](=O)(=O)c2c(C)cc(C)cc2C","125306-83-4","CCN(CC)C(=O)n1cnc(S(=O)(=O)c2c(C)cc(C)cc2C)n1","CCN(CC)C(=O)n1nc(nc1)S(=O)(=O)c2c(cc(cc2C)C)C",{"$nulls":4},350.1412615640006,"?"]
[5657,null,"125349-99-7",{"$nulls":7},""]
[5658,null,"125644-63-5",{"$nulls":7},""]
[5659,null,"126245-49-6",{"$nulls":7},""]
[5660,null,"126801-58-9",{"$nulls":7},""]
[5661,null,"127640-90-8",{"$nulls":7},""]
[5662,null,"128348-32-3",{"$nulls":7},""]
[5663,null,"128348-34-5",{"$nulls":7},""]
[5664,null,"128348-35-6",{"$nulls":7},""]
[5665,null,"128348-42-5",{"$nulls":7},""]
[5666,null,"128348-43-6",{"$nulls":7},""]
[5667,null,"128348-44-7",{"$nulls":7},""]
[5668,"CCOC(=O)C(Cl)Cc1cc(N2N=C(C)N(C(F)F)C2=O)c(F)cc1Cl","128639-02-1","CCOC(=O)C(Cl)Cc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl","CCOC(=O)C(Cl)Cc1c(cc(c(c1)-n2c(n(c(n2)C)C(F)F)=O)F)Cl",{"$nulls":4},411.0364313280004,"?"]
[5669,null,"128823-80-3",{"$nulls":7},""]
[5670,"CCC1=C(C(O)=O)C(=O)C=NN1c2ccc(Cl)cc2","129025-54-3","CCc1c(C(=O)O)c(=O)cnn1-c1ccc(Cl)cc1","CCc1n(ncc(c1C(=O)O)=O)-c2ccc(cc2)Cl",{"$nulls":4},278.0458198920003,"?"]
[5671,null,"129085-57-0",{"$nulls":7},""]
[5672,null,"129085-58-1",{"$nulls":7},""]
[5673,"OC1(CCCCCC1n2cncn2)c3ccc(Cl)cc3","129586-32-9","OC1(c2ccc(Cl)cc2)CCCCCC1n1cncn1","OC1(C(CCCCC1)n2ncnc2)c3ccc(cc3)Cl",{"$nulls":4},291.1138398760005,"?"]
[5674,null,"129630-17-7",{"$nulls":7},""]
[5675,"Cc1sc(C(=O)Nc2c(Br)cc(OC(F)(F)F)cc2Br)c(n1)C(F)(F)F","130000-40-7","Cc1nc(C(F)(F)F)c(C(=O)Nc2c(Br)cc(OC(F)(F)F)cc2Br)s1","Cc1sc(c(n1)C(F)(F)F)C(=O)Nc2c(cc(cc2Br)OC(F)(F)F)Br",{"$nulls":4},525.8420919520001,"?"]
[5676,null,"130339-07-0",{"$nulls":7},""]
[5677,"FC1(F)Oc2cccc(c2O1)c3c[nH]cc3C#N","131341-86-1","N#Cc1c[nH]cc1-c1cccc2c1OC(F)(F)O2","N#Cc1c(c[nH]c1)-c2c3c(ccc2)OC(O3)(F)F",{"$nulls":4},248.039733872,"?"]
[5678,"CC1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)cc3","131807-57-3","CC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccccc2)C1=O","CC1(C(N(C(O1)=O)Nc2ccccc2)=O)c3ccc(cc3)Oc4ccccc4",{"$nulls":4},374.1266570560005,"?"]
[5679,"COC=C(C(=O)OC)c1ccccc1Oc2cc(Oc3ccccc3C#N)ncn2","131860-33-8","COC=C(C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1","COC=C(C(=O)OC)c1c(cccc1)Oc2ncnc(c2)Oc3c(cccc3)C#N",{"$nulls":4},403.1168206440006,"?"]
[5680,"CC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn3cncn3","131983-72-7","CC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn1cncn1","CC1(C(C(CC1)=Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C",{"$nulls":4},317.1294899400006,"?"]
[5681,null,"133220-30-1",{"$nulls":7},""]
[5682,"CNC(=O)C(=NOC)c1ccccc1Oc2ccccc2","133408-50-1","CNC(=O)C(=NOC)c1ccccc1Oc1ccccc1","CNC(=O)C(=NOC)c1c(cccc1)Oc2ccccc2",{"$nulls":4},284.1160923720005,"?"]
[5683,"CSC(=O)c1cccc2nnsc12","135158-54-2","CSC(=O)c1cccc2nnsc12","CSC(=O)c1c2c(ccc1)nns2",{"$nulls":4},209.992154812,"?"]
[5684,"CN(Cc1ccc(Cl)nc1)C(C)=NC#N","135410-20-7","CC(=NC#N)N(C)Cc1ccc(Cl)nc1","CC(=NC#N)N(C)Cc1cnc(cc1)Cl",{"$nulls":4},222.06722403199998,"?"]
[5685,null,"135590-91-9",{"$nulls":7},""]
[5686,null,"135832-38-1",{"$nulls":7},""]
[5687,null,"135832-39-2",{"$nulls":7},""]
[5688,null,"135832-41-6",{"$nulls":7},""]
[5689,null,"135832-42-7",{"$nulls":7},""]
[5690,null,"135832-45-0",{"$nulls":7},""]
[5691,null,"135832-46-1",{"$nulls":7},""]
[5692,null,"135832-47-2",{"$nulls":7},""]
[5693,null,"135832-48-3",{"$nulls":7},""]
[5694,null,"135832-50-7",{"$nulls":7},""]
[5695,null,"135832-51-8",{"$nulls":7},""]
[5696,"CN(C)c1nc(NC(=O)N[S](=O)(=O)c2c(C)cccc2C(O)=O)nc(OCC(F)(F)F)n1","135990-29-3","Cc1cccc(C(=O)O)c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(N(C)C)n1","Cc1c(c(ccc1)C(=O)O)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OCC(F)(F)F)N(C)C",{"$nulls":4},478.08823792400045,"?"]
[5697,"CON=C(C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OC","136191-64-5","CON=C(C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OC","CON=C(C)c1c(c(ccc1)Oc2nc(cc(n2)OC)OC)C(=O)OC",{"$nulls":4},361.1273853280005,"?"]
[5698,"Fc1ccc2N=C(n3cncn3)N(C(=O)c2c1)c4ccc(Cl)cc4Cl","136426-54-5","O=c1c2cc(F)ccc2nc(-n2cncn2)n1-c1ccc(Cl)cc1Cl","O=c1n(c(nc2c1cc(F)cc2)-n3ncnc3)-c4c(cc(cc4)Cl)Cl",{"$nulls":4},375.0089934560002,"?"]
[5699,"COc1cc(OC)nc(NC(=O)N[S](=O)(=O)Nc2ccccc2C(=O)C3CC3)n1","136849-15-5","COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccccc2C(=O)C2CC2)n1","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Nc2c(cccc2)C(=O)C3CC3",{"$nulls":4},421.10560432800054,"?"]
[5700,null,"136986-57-7",{"$nulls":7},""]
[5701,null,"136986-58-8",{"$nulls":7},""]
[5702,null,"136986-59-9",{"$nulls":7},""]
[5703,null,"136986-60-2",{"$nulls":7},""]
[5704,null,"136986-61-3",{"$nulls":7},""]
[5705,null,"136986-62-4",{"$nulls":7},""]
[5706,null,"136991-36-1",{"$nulls":7},""]
[5707,null,"137013-29-7",{"$nulls":7},""]
[5708,"[O-][N+](=O)NC1=NCCN1Cc2ccc(Cl)nc2","138261-41-3","O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1","O=[N+]([O-])NC=1N(CCN1)Cc2cnc(cc2)Cl",{"$nulls":4},255.05230224,"?"]
[5709,"COc1cc(OC)n2nc(nc2n1)[S](=O)(=O)Nc3c(Cl)ccc(C)c3Cl","139528-85-1","COc1cc(OC)n2nc(S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl)nc2n1","COc1nc2n(c(c1)OC)nc(S(=O)(=O)Nc3c(c(ccc3Cl)C)Cl)n2",{"$nulls":4},417.00653025600036,"?"]
[5710,"C[S](=O)(=O)c1cc(ccc1C(=O)c2cnoc2C3CC3)C(F)(F)F","141112-29-0","CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1","CS(=O)(=O)c1c(ccc(c1)C(F)(F)F)C(=O)c2c(onc2)C3CC3",{"$nulls":4},359.04391352400035,"?"]
[5711,"CC[S](=O)(=O)c1nc2ccccn2c1[S](=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3","141776-32-1","CCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1","CCS(=O)(=O)c1c(n2c(n1)cccc2)S(=O)(=O)NC(=O)Nc3nc(cc(n3)OC)OC",{"$nulls":4},470.06783891600054,"?"]
[5712,"CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c2ccc(F)cc2","142459-58-3","CC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1","CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c2ccc(cc2)F",{"$nulls":4},363.06646053600036,"?"]
[5713,"CON=C(C(=O)OC)c1ccccc1COc2ccccc2C","143390-89-0","CON=C(C(=O)OC)c1ccccc1COc1ccccc1C","CON=C(C(=O)OC)c1c(cccc1)COc2c(cccc2)C",{"$nulls":4},313.1314080880005,"?"]
[5714,"Cc1cc(C)nc(NC(=O)N[S](=O)(=O)c2ccccc2C(=O)OC3COC3)n1","144651-06-9","Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC2COC2)n1","Cc1nc(nc(c1)C)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC3COC3",{"$nulls":4},406.0947052960005,"?"]
[5715,"COC(=O)C1(CC1)[S](=O)(=O)c2ccc(C)cc2","145348-19-2","COC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CC1","COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C",{"$nulls":4},254.061279928,"?"]
[5716,"CCOC(=O)C1(CC1)[S](=O)(=O)c2ccc(C)cc2","145348-20-5","CCOC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CC1","CCOC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C",{"$nulls":4},268.0769299920003,"?"]
[5717,"CC(C)OC(=O)C1(CC1)[S](=O)(=O)c2ccc(C)cc2","145348-21-6","Cc1ccc(S(=O)(=O)C2(C(=O)OC(C)C)CC2)cc1","Cc1ccc(cc1)S(=O)(=O)C2(CC2)C(=O)OC(C)C",{"$nulls":4},282.09258005600054,"?"]
[5718,"COC(=O)C1(CC1)[S](=O)(=O)c2ccc(Cl)cc2","145348-22-7","COC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1","COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",{"$nulls":4},274.0066575120003,"?"]
[5719,"CC(C)OC(=O)C1(CC1)[S](=O)(=O)c2ccc(Cl)cc2","145348-23-8","CC(C)OC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1","CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",{"$nulls":4},302.0379576400004,"?"]
[5720,"CC(C)(C)OC(=O)C1(CC1)[S](=O)(=O)c2ccc(Cl)cc2","145348-24-9","CC(C)(C)OC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1","CC(C)(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",{"$nulls":4},316.05360770400046,"?"]
[5721,"COC(=O)C1(CC1)[S](=O)(=O)c2ccc(Br)cc2","145348-25-0","COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CC1","COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Br",{"$nulls":4},317.9561419320003,"?"]
[5722,"COC(=O)C1(CC1)[S](=O)(=O)c2ccc(cc2)[N+]([O-])=O","145348-26-1","COC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1","COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},285.03070807200027,"?"]
[5723,"CC(C)OC(=O)C1(CC1)[S](=O)(=O)c2ccc(cc2)[N+]([O-])=O","145348-27-2","CC(C)OC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1","CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},313.0620082000004,"?"]
[5724,"NC1[CH]2CN(C[CH]12)c3nc4N(C=C(C(O)=O)C(=O)c4cc3F)c5ccc(F)cc5F","147059-72-1","NC1C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC12","NC1C2C1CN(c3c(cc4c(n3)n(cc(c4=O)C(=O)O)-c5c(cc(cc5)F)F)F)C2",{"$nulls":4},416.1096250000004,"?"]
[5725,"CCOc1nc(F)cc2nc(nn12)[S](=O)(=O)Nc3c(Cl)cccc3C(=O)OC","147150-35-4","CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3C(=O)OC)nn12","CCOc1n2c(cc(n1)F)nc(S(=O)(=O)Nc3c(cccc3Cl)C(=O)OC)n2",{"$nulls":4},429.0309954160003,"?"]
[5726,"COc1ccc(cc1NNC(=O)OC(C)C)c2ccccc2","149877-41-8","COc1ccc(-c2ccccc2)cc1NNC(=O)OC(C)C","COc1c(cc(cc1)-c2ccccc2)NNC(=O)OC(C)C",{"$nulls":4},300.1473925000006,"?"]
[5727,null,"153197-14-9",{"$nulls":7},""]
[5728,"CCOc1cc(ccc1C2COC(=N2)c3c(F)cccc3F)C(C)(C)C","153233-91-1","CCOc1cc(C(C)(C)C)ccc1C1COC(c2c(F)cccc2F)=N1","CCOc1c(ccc(c1)C(C)(C)C)C2N=C(OC2)c3c(cccc3F)F",{"$nulls":4},359.1696854160007,"?"]
[5729,null,"154486-27-8",{"$nulls":7},""]
[5730,null,"155999-93-2",{"$nulls":7},""]
[5731,null,"157683-71-1",{"$nulls":7},""]
[5732,null,"157683-72-2",{"$nulls":7},""]
[5733,"CCN(C1CCCCC1)C(=O)N2N=NN(C2=O)c3ccccc3Cl","158237-07-1","CCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCCC1","CCN(C(=O)n1c(n(nn1)-c2c(cccc2)Cl)=O)C3CCCCC3",{"$nulls":4},349.1305525600006,"?"]
[5734,"CC(C)OC(=O)C1(CCC1)[S](=O)(=O)c2ccc(cc2)[N+]([O-])=O","160790-03-4","CC(C)OC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1","CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},327.0776582640005,"?"]
[5735,"CC(C)OC(=O)C1(CCCCC1)[S](=O)(=O)c2ccc(cc2)[N+]([O-])=O","160790-04-5","CC(C)OC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1","CC(C)OC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},355.1089583920006,"?"]
[5736,"CC(C)OC(=O)C1(CCCCCC1)[S](=O)(=O)c2ccc(cc2)[N+]([O-])=O","160790-05-6","CC(C)OC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCCC1","CC(C)OC(=O)C1(CCCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",{"$nulls":4},369.12460845600066,"?"]
[5737,"COC(=O)C1(CCC1)[S](=O)(=O)c2ccc(Br)cc2","160790-06-7","COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCC1","COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Br",{"$nulls":4},331.9717919960004,"?"]
[5738,"COC(=O)C1(CCCC1)[S](=O)(=O)c2ccc(Br)cc2","160790-07-8","COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1","COC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Br",{"$nulls":4},345.98744206000043,"?"]
[5739,"COC(=O)C1(CCCCC1)[S](=O)(=O)c2ccc(Br)cc2","160790-08-9","COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCCC1","COC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)Br",{"$nulls":4},360.0030921240005,"?"]
[5740,"COC(=O)C1(CCC1)[S](=O)(=O)c2ccc(Cl)cc2","160790-09-0","COC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCC1","COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Cl",{"$nulls":4},288.02230757600034,"?"]
[5741,"CC(C)OC(=O)C1(CCCC1)[S](=O)(=O)c2ccc(Cl)cc2","160790-10-3","CC(C)OC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1","CC(C)OC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Cl",{"$nulls":4},330.0692577680005,"?"]
[5742,"CC(C)OC(=O)C1(CCC1)[S](=O)(=O)c2ccccc2","160790-13-6","CC(C)OC(=O)C1(S(=O)(=O)c2ccccc2)CCC1","CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccccc2",{"$nulls":4},282.09258005600054,"?"]
[5743,"CCOC(=O)C1(CCC1)[S](=O)(=O)c2ccc(C)cc2","160790-14-7","CCOC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCC1","CCOC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)C",{"$nulls":4},282.09258005600054,"?"]
[5744,"COC(=O)C1(CCC1)[S](=O)(=O)c2ccccc2","160790-17-0","COC(=O)C1(S(=O)(=O)c2ccccc2)CCC1","COC(=O)C1(CCC1)S(=O)(=O)c2ccccc2",{"$nulls":4},254.061279928,"?"]
[5745,"COC(=O)C1(CCCC1)[S](=O)(=O)c2ccccc2","160790-18-1","COC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1","COC(=O)C1(CCCC1)S(=O)(=O)c2ccccc2",{"$nulls":4},268.0769299920003,"?"]
[5746,"COC(=O)C1(CCCCC1)[S](=O)(=O)c2ccccc2","160790-19-2","COC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1","COC(=O)C1(CCCCC1)S(=O)(=O)c2ccccc2",{"$nulls":4},282.09258005600054,"?"]
[5747,null,"160791-64-0",{"$nulls":7},""]
[5748,"COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C","161050-58-4","COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C","COc1c(c(ccc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C)C",{"$nulls":4},368.2099927560008,"?"]
[5749,null,"162853-24-9",{"$nulls":7},""]
[5750,null,"162853-25-0",{"$nulls":7},""]
[5751,"CC(C)OC(=O)c1cc(c(F)cc1Cl)c2nn(C)c(c2Br)C(F)(F)F","174514-07-9","CC(C)OC(=O)c1cc(-c2nn(C)c(C(F)(F)F)c2Br)c(F)cc1Cl","CC(C)OC(=O)c1c(cc(c(c1)-c2c(c(n(n2)C)C(F)(F)F)Br)F)Cl",{"$nulls":4},441.9706802840003,"?"]
[5752,null,"185676-84-0",{"$nulls":7},""]
[5753,null,"336111-17-2",{"$nulls":7},""]
[5754,null,"336111-18-3",{"$nulls":7},""]
[5755,null,"SRC002-52-9",{"$nulls":7},""]
[5756,null,"SRC003-41-9",{"$nulls":7},""]
[5757,null,"SRC003-42-0",{"$nulls":7},""]
[5758,null,"SRC003-56-1",{"$nulls":7},""]
[5759,null,"SRC003-56-2",{"$nulls":7},""]
[5760,null,"SRC003-67-2",{"$nulls":7},""]
[5761,null,"SRC003-67-3",{"$nulls":7},""]
[5762,null,"SRC003-67-4",{"$nulls":7},""]
[5763,null,"SRC003-67-5",{"$nulls":7},""]
[5764,null,"SRC003-73-3",{"$nulls":7},""]

{"sheet":"Maintain_Manual_Check","index":11,"n_rows":4726,"n_cols":11,"rows_kept":4726}
["New ID","Original SMILES","Canonical SMILES (OpenBabel)","SMILES (VEGA)","Remarks (VEGA)","Duplicates","Names","CAS_NOs","Original IDs","Notes","Warnings"]
[1,"ClC1=C(Cl)C(Cl)(C(Cl)=C1Cl)C2(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl\n\n\n","ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl","C=1(C(=C(C(C=1Cl)(C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"DIENOCHLOR(1)","2227-17-0(1)","3138","High Reliability","-"]
[2,"ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C5(Cl)C2(Cl)C3(Cl)C4(Cl)C5(Cl)Cl\n\n\n","O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl","O=C1C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"KEPONE(1)","143-50-0(1)","1596","High Reliability","-"]
[3,"ClC12C3(Cl)C4(Cl)C5(Cl)C(Cl)(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl\n\n\n","ClC12C(Cl)(Cl)C3(C4(C1(Cl)C1(C2(Cl)C3(C4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl","C13(C4(C2(C5(C(C1(C2(Cl)Cl)Cl)(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"MIREX(1)","2385-85-5(1)","3188","High Reliability","-"]
[4,"Clc1c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c(Cl)c1Cl\n\n\n","Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl","c12(c(c(c(c(c1Cl)Cl)Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl)","",1,"OCTACHLORONAPHTHALENE(1)","2234-13-1(1)","3140","High Reliability","-"]
[5,"COC(=O)C(Cl)Cc1ccc(Cl)cc1\n\n\n","COC(=O)C(Cc1ccc(cc1)Cl)Cl","O=C(OC)C(Cc1ccc(cc1)Cl)Cl","",1,"CHLORFENPROP METHYL(1)","14437-17-3(1)","4034","Medium Reliability","-"]
[6,"CCOC(=O)COc1c(Cl)cc(Cl)cc1\n\n\n","CCOC(=O)COc1ccc(cc1Cl)Cl","O=C(OCC)COc1ccc(cc1Cl)Cl","",1,"2,4-D, ETHYL ESTER(1)","533-23-3(1)","2024","Medium Reliability","-"]
[7,"OC(=O)CCCOc1ccc(Cl)cc1Cl\n\n\n","OC(=O)CCCOc1ccc(cc1Cl)Cl","O=C(O)CCCOc1ccc(cc1Cl)Cl","",1,"2,4-DB(1)","94-82-6(1)","734","High Reliability","-"]
[8,"Nc1cccc2c1c(N)ccc2\nNc1cccc2cccc(N)c12\n\n","Nc1cccc2c1c(N)ccc2","Nc1cccc2cccc(N)c12","",1,"1,8-NAPHTHALENEDIAMINE(1)","479-27-6(1)","1843","High Reliability","-"]
[9,"Nc1cccc2c(N)cccc12\n\n\n","Nc1cccc2c1cccc2N","Nc1cccc2c(N)cccc12","",1,"1,5-DIAMINONAPHTHALENE(1)","2243-62-1(1)","3144","High Reliability","-"]
[10,"Cc1nnc(c(=O)n1N)-c2ccccc2\n\n\n","Cc1nnc(c(=O)n1N)c1ccccc1","O=C1C(=NN=C(N1(N))C)c2ccccc2","",1,"Metamitron(1)","41394-05-2(1)","4743","High Reliability","-"]
[11,"Nc1ccc(cc1)S(=O)(=O)Nc2nccnc2\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1cnccn1","O=S(=O)(Nc1nccnc1)c2ccc(N)cc2","",1,"Sulfapyrazine(1)","116-44-9(1)","1301","High Reliability","-"]
[12,"Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1","O=S(=O)(Nc1ncccn1)c2ccc(N)cc2","",1,"SULFADIAZINE(1)","68-35-9(1)","262","High Reliability","-"]
[13,"CC1(C)OC(=O)c2ccccc12\n\n\n","O=C1OC(c2c1cccc2)(C)C","O=C1OC(c2ccccc12)(C)C","",1,"1(3H)ISOBENZOFURANONE-3,3-DIMETHYL(1)","1689-09-4(1)","2959","Medium Reliability","-"]
[14,"CCC1OC(=O)c2ccccc12\n\n\n","CCC1OC(=O)c2c1cccc2","O=C1OC(c2ccccc12)CC","",1,"1(3H)-Isobenzofuranone, 3-ethyl-(1)","17475-41-1(1)","4157","Medium Reliability","-"]
[15,"CC(=O)CC(=O)c1ccccc1\n\n\n","O=C(c1ccccc1)CC(=O)C","O=C(c1ccccc1)CC(=O)C","",1,"1,3-Butanedione, 1-phenyl-(1)","93-91-4(1)","714","High Reliability","-"]
[16,"COc1ccc(C=CC(O)=O)cc1\n\n\n","COc1ccc(cc1)C=CC(=O)O","O=C(O)C=Cc1ccc(OC)cc1","",2,"CINNAMIC ACID, P-METHOXY-(1), p-methoxycinnamicacid(trans)(1)","830-09-1(1), 943-89-5(1)","2707, 2765","High Reliability","Stereochemistry removed, Manual Check passed"]
[17,"COc1c(OC)c2c(COC2=O)cc1\n\n\n","COc1c(OC)ccc2c1C(=O)OC2","O=C1OCc2ccc(OC)c(OC)c12","",1,"Meconin(1)","569-31-3(1)","2200","High Reliability","-"]
[18,"COC(=O)c1ccc(cc1)C(=O)OC\n\n\n","COC(=O)c1ccc(cc1)C(=O)OC","O=C(OC)c1ccc(cc1)C(=O)OC","",1,"DIMETHYLTEREPHTHALATE(1)","120-61-6(1)","1359","High Reliability","-"]
[19,"COC(=O)c1cc(ccc1)C(=O)OC\n\n\n","COC(=O)c1cccc(c1)C(=O)OC","O=C(OC)c1cccc(c1)C(=O)OC","",1,"DIMETHYL ISOPHTHALATE(1)","1459-93-4(1)","2907","High Reliability","-"]
[20,"COC(=O)c1c(cccc1)C(=O)OC\nCOC(=O)c1ccccc1C(=O)OC\n\n","COC(=O)c1ccccc1C(=O)OC","O=C(OC)c1ccccc1(C(=O)OC)","",1,"DIMETHYL PHTHALATE(1)","131-11-3(1)","1496","High Reliability","-"]
[21,"COc1ccc(C=O)c(C(O)=O)c1OC\n\n\n","COc1ccc(c(c1OC)C(=O)O)C=O","O=Cc1ccc(OC)c(OC)c1(C(=O)O)","",1,"6-Formyl-2,3-dimethoxybenzoic acid(1)","519-05-1(1)","1979","High Reliability","Checked on PubChem, Checked on ChemID"]
[22,"Cc1cc(C)c(OCC(O)=O)c(Br)c1\n\n\n","OC(=O)COc1c(C)cc(cc1Br)C","O=C(O)COc1c(cc(cc1Br)C)C","",1,"Acetic acid, (2-bromo-4,6-dimethylphenoxy)-(1)","38206-98-3(1)","4663","Medium Reliability","Checked on PubChem"]
[23,"CC(O)COCc1c(Cl)c(Cl)ccc1Cl\n\n\n","CC(COCc1c(Cl)ccc(c1Cl)Cl)O","OC(C)COCc1c(ccc(c1Cl)Cl)Cl","",1,"TRITAC(1)","1861-44-5(1)","3004","High Reliability","-"]
[24,"CN(Cc1cnc(Cl)cc1)C(C)=NC#N\n\n\n","N#CN=C(N(Cc1ccc(nc1)Cl)C)C","N#CN=C(N(C)Cc1cnc(cc1)Cl)C","",1,"ACETAMIPRID(1)","135410-20-7(1)","5684","High Reliability","Stereochemistry removed"]
[25,"CCOC(=O)COc1ccc(Cl)cc1\n\n\n","CCOC(=O)COc1ccc(cc1)Cl","O=C(OCC)COc1ccc(cc1)Cl","",1,"ETHYL 4-CHLOROPHENOXYACETATE(1)","14426-42-7(1)","4033","Medium Reliability","-"]
[26,"CC(Oc1c(C)cc(Cl)cc1)C(O)=O\nCC(Oc1ccc(Cl)cc1C)C(O)=O\n\n","OC(=O)C(Oc1ccc(cc1C)Cl)C","O=C(O)C(Oc1ccc(cc1C)Cl)C","",3,"MECOPROP(1), MCPP(1), Mecoprop-P(1)","93-65-2(1), 7085-19-0(1), 16484-77-8(1)","707, 3814, 4103","High Reliability","Stereochemistry removed"]
[27,"CN(C)C(=O)Nc1cccc(c1)C(F)(F)F\n\n\n","O=C(N(C)C)Nc1cccc(c1)C(F)(F)F","O=C(Nc1cccc(c1)C(F)(F)F)N(C)C","",1,"FLUOMETURON(1)","2164-17-2(1)","3116","High Reliability","-"]
[28,"CCCOC(=O)Cn1cc(I)c(=O)c(I)c1\n\n\n","CCCOC(=O)Cn1cc(I)c(=O)c(c1)I","O=C1C(=CN(C=C1I)CC(=O)OCCC)I","",1,"Propyliodone(1)","587-61-1(1)","2264","High Reliability","-"]
[29,"Cc1nn(c(N)c1)-c2ccccc2\n\n\n","Cc1nn(c(c1)N)c1ccccc1","n1c(cc(N)n1c2ccccc2)C","",1,"1H-Pyrazol-5-amine, 3-methyl-1-phenyl-(1)","1131-18-6(1)","2849","High Reliability","-"]
[30,"COc1cc2nccnc2c(N)c1OC\n\n\n","COc1cc2nccnc2c(c1OC)N","n1ccnc2c1cc(OC)c(OC)c2(N)","",1,"5-Quinoxalinamine, 6,7-dimethoxy-(1)","6295-30-3(1)","3733","High Reliability","-"]
[31,"NC(Cc1[nH]nc2ccccc12)C(O)=O\n\n\n","OC(=O)C(Cc1[nH]nc2c1cccc2)N","O=C(O)C(N)Cc2[nH]nc1ccccc12","",1,"TRYPTAZAN(1)","526-30-7(1)","1990","High Reliability","Checked on PubChem, Checked on ChemID"]
[32,"Cc1nsc(NS(=O)(=O)c2ccc(N)cc2)c1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1snc(c1)C","O=S(=O)(Nc1cc(ns1)C)c2ccc(N)cc2","",1,"SULFASOMIZOLE(1)","632-00-8(1)","2578","High Reliability","-"]
[33,"Cc1csc(NS(=O)(=O)c2ccc(N)cc2)n1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1scc(n1)C","O=S(=O)(Nc1nc(cs1)C)c2ccc(N)cc2","",1,"Sulfamethylthiazole(1)","515-59-3(1)","1970","High Reliability","-"]
[34,"Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C","O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2","",1,"SULFAMETHOXAZOLE(1)","723-46-6(1)","2657","High Reliability","-"]
[35,"CNC(=O)N(C)c1nc2c(s1)cccc2\nCNC(=O)N(C)c1sc2ccccc2n1\n\n","CNC(=O)N(c1nc2c(s1)cccc2)C","O=C(NC)N(c2nc1ccccc1s2)C","",1,"Methabenzthiazuron(1)","18691-97-9(1)","4204","Medium Reliability","-"]
[36,"Nc1nc(NCc2ccccc2)ncn1\n\n\n","Nc1ncnc(n1)NCc1ccccc1","n1cnc(nc1N)NCc2ccccc2","",1,"1,3,5-Triazine-2,4-diamine, N-(phenylmethyl)-(1)","4086-63-9(1)","3458","High Reliability","-"]
[37,"CC1=NNC(=O)N(C1)N=Cc2cccnc2\n\n\n","CC1=NNC(=O)N(C1)N=Cc1cccnc1","O=C2NN=C(C)CN2(N=Cc1cnccc1)","",1,"Pymetrozine(1)","123312-89-0(1)","5649","High Reliability","Stereochemistry removed"]
[38,"CC=CC(=O)Nc1ccc(O)cc1\n\n\n","CC=CC(=O)Nc1ccc(cc1)O","O=C(C=CC)Nc1ccc(O)cc1","",1,"2-Butenamide, N-(4-hydroxyphenyl)-(1)","125349-99-7(1)","5657","Medium Reliability","-"]
[39,"NC(=O)c1ccccc1OCC=C\n\n\n","C=CCOc1ccccc1C(=O)N","O=C(N)c1ccccc1(OCC=C)","",1,"Benzamide, 2-(2-propenyloxy)-(1)","14520-53-7(1)","4039","Medium Reliability","-"]
[40,"CC(=O)Nc1ccc(cc1)C(C)=O\n\n\n","CC(=O)Nc1ccc(cc1)C(=O)C","O=C(Nc1ccc(cc1)C(=O)C)C","",1,"ACETAMIDE, N-(4-ACETYLPHENYL)-(1)","2719-21-3(1)","3277","High Reliability","-"]
[41,"CC(=O)Nc1cccc(c1)C(C)=O\n\n\n","CC(=O)Nc1cccc(c1)C(=O)C","O=C(Nc1cccc(c1)C(=O)C)C","",1,"M-ACETYLAMINOACETOPHENONE(1)","7463-31-2(1)","3844","Medium Reliability","-"]
[42,"CC1(C)Cc2cccc(c2O1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cccc2c1OC(C2)(C)C","O=[N+]([O-])c2cccc1c2(OC(C)(C)C1)","",1,"7-NITRO-2,2-DIMETHYL-2,3-DIHYDROBENZOFURAN(1)","13414-55-6(1)","3973","High Reliability","-"]
[43,"CNC(=O)COC(=O)c1ccccc1\n\n\n","CNC(=O)COC(=O)c1ccccc1","O=C(OCC(=O)NC)c1ccccc1","",1,"ACETAMIDE, 2-(BENZOYLOXY)-N-METHYL-(1)","106231-50-9(1)","5502","Medium Reliability","-"]
[44,"CC(NC(=O)c1ccccc1)C(O)=O\n\n\n","CC(C(=O)O)NC(=O)c1ccccc1","O=C(O)C(NC(=O)c1ccccc1)C","",1,"DL-Alanine, N-benzoyl-(1)","1205-02-3(1)","2873","High Reliability","Checked on PubChem, Checked on ChemID"]
[45,"CC(=O)Nc1ccc(OC(C)=O)cc1\n\n\n","CC(=O)Nc1ccc(cc1)OC(=O)C","O=C(Oc1ccc(cc1)NC(=O)C)C","",1,"P-ACETOXYACETANILIDE(1)","2623-33-8(1)","3257","High Reliability","-"]
[46,"OC(=O)CNC(=O)Cc1ccccc1\n\n\n","O=C(Cc1ccccc1)NCC(=O)O","O=C(O)CNC(=O)Cc1ccccc1","",1,"Glycine, N-(phenylacetyl)-(1)","500-98-1(1)","1914","Medium Reliability","-"]
[47,"CCCC(=O)Oc1ccc(cc1)[N+]([O-])=O\n\n\n","CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","O=C(Oc1ccc(cc1)[N+](=O)[O-])CCC","",1,"Butanoic acid, 4-nitrophenyl ester(1)","2635-84-9(1)","3264","High Reliability","-"]
[48,"CC(C)C(=O)Oc1ccc(cc1)[N+]([O-])=O\n\n\n","CC(C(=O)Oc1ccc(cc1)[N+](=O)[O-])C","O=C(Oc1ccc(cc1)[N+](=O)[O-])C(C)C","",1,"Propanoic acid, 2-methyl-, 4-nitrophenyl ester(1)","4195-16-8(1)","3468","Medium Reliability","-"]
[49,"C1CCc2c(C1)cccc2\n\n\n","C1CCc2c(C1)cccc2","c1ccc2c(c1)CCCC2","",1,"TETRALIN(1)","119-64-2(1)","1343","High Reliability","-"]
[50,"CCOP(=S)(OCC)Oc1c(Cl)cc(Br)c(Cl)c1\n\n\n","CCOP(=S)(Oc1cc(Cl)c(cc1Cl)Br)OCC","O(c1cc(c(cc1Cl)Br)Cl)P(OCC)(OCC)=S","",1,"BROMOPHOS ETHYL(1)","4824-78-6(1)","3542","Medium Reliability","-"]
[51,"CCOP(=S)(CC)Oc1c(Cl)cc(Cl)c(Cl)c1\n\n\n","CCP(=S)(OCC)Oc1cc(Cl)c(cc1Cl)Cl","O(c1cc(c(cc1Cl)Cl)Cl)P(OCC)(CC)=S","",1,"TRICHLORONATE(1)","327-98-0(1)","1735","High Reliability","-"]
[52,"CNC(=O)ON=C1C(Cl)C2CC(C#N)C1C2\n\n\n","N#CC1CC2CC1C(=NOC(=O)NC)C2Cl","N#CC2CC1CC2(C(=NOC(=O)NC)C1Cl)","",1,"Tranid(1)","15271-41-7(1)","4062","High Reliability","Stereochemistry removed"]
[53,"CCC1NC(=O)c2cc(c(Cl)cc2N1)S(N)(=O)=O\n\n\n","CCC1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl","O=C1NC(Nc2cc(c(cc12)S(=O)(=O)N)Cl)CC","",1,"Quinethazone(1)","73-49-4(1)","304","High Reliability","-"]
[54,"ClCCC(=O)NCc1ccccc1\n\n\n","ClCCC(=O)NCc1ccccc1","O=C(NCc1ccccc1)CCCl","",1,"N-benzyl-3-chloropropanamide(1)","501-68-8(1)","1916","High Reliability","-"]
[55,"CC(C)OC(=O)Nc1cccc(Cl)c1\n\n\n","CC(OC(=O)Nc1cccc(c1)Cl)C","O=C(OC(C)C)Nc1cccc(c1)Cl","",1,"CHLORPROPHAM(1)","101-21-3(1)","906","High Reliability","-"]
[56,"C1NC(CC=C1)c2cccnc2\n\n\n","C1=CCC(NC1)c1cccnc1","n1cccc(c1)C2NCC=CC2","",1,"Anatabine(1)","581-49-7(1)","2232","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[57,"NCCc1c[nH]c2ccc(O)cc12\n\n\n","NCCc1c[nH]c2c1cc(O)cc2","Oc1ccc2[nH]cc(c2(c1))CCN","",1,"5-HYDROXYTRYPTAMINE(1)","50-67-9(1)","29","High Reliability","-"]
[58,"C=CCC1(CC=C)C(=O)NC(=O)NC1=O\n\n\n","C=CCC1(CC=C)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC=C)CC=C","",1,"ALLOBARBITAL(1)","52-43-7(1)","61","High Reliability","-"]
[59,"NC(=O)NC(Cc1ccccc1)C(O)=O\nNC(=O)NC(Cc1ccccc1)C([O-])=O\n\n","OC(=O)C(Cc1ccccc1)NC(=O)N","O=C(N)NC(C(=O)O)Cc1ccccc1","",1,"DL-Phenylalanine, N-(aminocarbonyl)-(1)","37534-65-9(1)","4646","Medium Reliability","Stereochemistry removed"]
[60,"CC(C)N1C(=O)c2c(NS1(=O)=O)cccc2\nCC(C)N1C(=O)c2ccccc2NS1(=O)=O\n\n","CC(N1C(=O)c2ccccc2NS1(=O)=O)C","O=C1c2ccccc2(NS(=O)(=O)N1C(C)C)","",1,"BENTAZONE(1)","25057-89-0(1)","4375","High Reliability","-"]
[61,"CC(C)(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O","O=[N+]([O-])c1cc(c(O)c(c1)C(C)(C)C)[N+](=O)[O-]","",1,"Dinoterb(1)","1420-07-1(1)","2901","High Reliability","-"]
[62,"CCC(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C","O=[N+]([O-])c1cc(c(O)c(c1)C(C)CC)[N+](=O)[O-]","",1,"DINOSEB(1)","88-85-7(1)","622","High Reliability","-"]
[63,"CCc1c(CC)nc2cnc(=O)[nH]c2n1\nCCc1nc2cnc(O)nc2nc1CC\n\n","CCc1nc2[nH]c(=O)ncc2nc1CC","O=C1N=Cc2nc(c(nc2(N1))CC)CC","",1,"2-Pteridinol, 6,7-diethyl-(1)","90870-76-1(1)","5360","Medium Reliability","-"]
[64,"CCc1nc2c(nc1CC)c(O)ncn2\nCCc1nc2ncnc(O)c2nc1CC\n\n","CCc1nc2c(O)ncnc2nc1CC","Oc1ncnc2nc(c(nc12)CC)CC","",1,"4-Pteridinol, 6,7-diethyl-(1)","102943-71-5(1)","5478","Medium Reliability","-"]
[65,"Cn1c(=O)n(C)c2nc(C)c(C)nc2c1=O\n\n\n","Cc1nc2c(nc1C)c(=O)n(c(=O)n2C)C","O=C2c1nc(c(nc1N(C(=O)N2C)C)C)C","",1,"2,4(1H,3H)-Pteridinedione, 1,3,6,7-tetramethyl-(1)","2625-25-4(1)","3259","High Reliability","-"]
[66,"OCC1OC(C(O)C1O)n2cnc3cncnc23\n\n\n","OCC1OC(C(C1O)O)n1cnc2c1ncnc2","OCC3OC(n2cnc1cncnc12)C(O)C3(O)","",1,"NEBULARINE(1)","550-33-4(1)","2123","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[67,"OCC1OC(C(O)C1O)n2cnc3c2ncnc3O\nOCC1OC(C(O)C1O)n2cnc3c(O)ncnc23\nOCC1OC(C(O)C1O)n2cnc3c(=O)nc[nH]c23\n","OCC1OC(C(C1O)O)n1cnc2c1ncnc2O","Oc3ncnc1c3(ncn1C2OC(CO)C(O)C2(O))","",1,"INOSINE(1)","58-63-9(1)","155","High Reliability","Stereochemistry removed"]
[68,"CC(=O)Nc1ccc(C=NNC(N)=S)cc1\n\n\n","CC(=O)Nc1ccc(cc1)C=NNC(=S)N","O=C(Nc1ccc(C=NNC(N)=S)cc1)C","",1,"Thiacetazone(1)","104-06-3(1)","947","Medium Reliability","Stereochemistry removed"]
[69,"COc1ccc(C=CC)cc1\nCOc1ccc(CC=C)cc1\n\n","CC=Cc1ccc(cc1)OC","O(c1ccc(cc1)C=CC)C","",2,"ANETHOLE(1), Benzene, 1-methoxy-4-(2-propenyl)-(1)","104-46-1(1), 140-67-0(1)","953, 1557","High Reliability","Stereochemistry removed"]
[70,"Oc1ccc2CCCCc2c1\n\n\n","Oc1ccc2c(c1)CCCC2","Oc1ccc2c(c1)CCCC2","",1,"2-NAPHTHALENOL, 5,6,7,8-TETRAHYDRO-(1)","1125-78-6(1)","2843","High Reliability","Checked on PubChem, Checked on ChemID"]
[71,"CCCOC(=O)c1ccccc1\n\n\n","CCCOC(=O)c1ccccc1","O=C(OCCC)c1ccccc1","",1,"PROPYL BENZOATE(1)","2315-68-6(1)","3170","High Reliability","-"]
[72,"COc1c(O)ccc(CC=C)c1\n\n\n","C=CCc1ccc(c(c1)OC)O","Oc1ccc(cc1(OC))CC=C","",1,"EUGENOL(1)","97-53-0(1)","795","High Reliability","-"]
[73,"Cc1cc(C)c(C(O)=O)c(C)c1\n\n\n","OC(=O)c1c(C)cc(cc1C)C","O=C(O)c1c(cc(cc1C)C)C","",1,"2,4,6-Trimethylbenzoic acid(1)","480-63-7(1)","1848","High Reliability","-"]
[74,"CC(C)c1ccc(cc1)C(O)=O\n\n\n","CC(c1ccc(cc1)C(=O)O)C","O=C(O)c1ccc(cc1)C(C)C","",1,"CUMIC ACID(1)","536-66-3(1)","2040","High Reliability","-"]
[75,"Cc1cc(C)c(CC(O)=O)cc1\n\n\n","OC(=O)Cc1ccc(cc1C)C","O=C(O)Cc1ccc(cc1C)C","",1,"Benzeneacetic acid, 2,4-dimethyl-(1)","6331-04-0(1)","3746","High Reliability","-"]
[76,"CCSC(C(O)=O)c1ccccc1\n\n\n","CCSC(c1ccccc1)C(=O)O","O=C(O)C(c1ccccc1)SCC","",1,"Benzeneacetic acid, .alpha.-(ethylthio)-(1)","60340-41-2(1)","4992","Medium Reliability","-"]
[77,"CCCOC(=O)c1ccc(O)cc1\n\n\n","CCCOC(=O)c1ccc(cc1)O","O=C(OCCC)c1ccc(O)cc1","",1,"p-hydroxypropylbenzoate(1)","94-13-3(1)","719","Medium Reliability","Name verified in PubChem"]
[78,"CCOc1ccc(C=O)cc1OC\n\n\n","CCOc1ccc(cc1OC)C=O","O=Cc1ccc(OCC)c(OC)c1","",1,"Benzaldehyde, 4-ethoxy-3-methoxy-(1)","120-25-2(1)","1354","High Reliability","-"]
[79,"Cc1cc(OCC(O)=O)cc(C)c1\n\n\n","OC(=O)COc1cc(C)cc(c1)C","O=C(O)COc1cc(cc(c1)C)C","",1,"Acetic acid, (3,5-dimethylphenoxy)-(1)","5406-14-4(1)","3601","Medium Reliability","-"]
[80,"OCCCOC(=O)c1ccccc1\nOCCCO.OC(=O)c1ccccc1\n\n","OCCCOC(=O)c1ccccc1","O=C(OCCCO)c1ccccc1","",1,"1,3-propanediol,monobenzoate(1)","6946-99-2(1)","3802","High Reliability","Name verified in PubChem"]
[81,"COc1cc(C=O)cc(OC)c1OC\n\n\n","COc1cc(C=O)cc(c1OC)OC","O=Cc1cc(OC)c(OC)c(OC)c1","",1,"Benzaldehyde, 3,4,5-trimethoxy-(1)","86-81-7(1)","576","High Reliability","-"]
[82,"CC12C3CCC(O3)C1(C)C(=O)OC2=O\n\n\n","O=C1OC(=O)C2(C1(C)C1CCC2O1)C","O=C2OC(=O)C3(C)(C1OC(CC1)C23(C))","",1,"Cantharidin(1)","56-25-7(1)","91","High Reliability","Stereochemistry removed"]
[83,"CCCOC(=O)c1cc(O)c(O)c(O)c1\n\n\n","CCCOC(=O)c1cc(O)c(c(c1)O)O","O=C(OCCC)c1cc(O)c(O)c(O)c1","",1,"PROPYL GALLATE(1)","121-79-9(1)","1380","High Reliability","-"]
[84,"CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccc(C)cc1\n\n\n","Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F","O=S(=O)(N(c1ccc(cc1)C)SC(F)(Cl)Cl)N(C)C","",1,"TOLYFLUANIDE(1)","731-27-1(1)","2661","High Reliability","-"]
[85,"CCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl\n\n\n","CCOP(=S)(Oc1ccc(cc1Cl)Cl)OCC","O(c1ccc(cc1Cl)Cl)P(OCC)(OCC)=S","",1,"DICHLOFENTHION(1)","97-17-6(1)","791","High Reliability","-"]
[86,"CN(C)C=Nc1ccc(Cl)cc1C\n\n\n","CN(C=Nc1ccc(cc1C)Cl)C","N(=CN(C)C)c1ccc(cc1C)Cl","",1,"CHLORDIMEFORM(1)","6164-98-3(1)","3709","High Reliability","Stereochemistry removed"]
[87,"CN(C)C(=O)Nc1cc(Cl)c(C)cc1\nCN(C)C(=O)Nc1ccc(C)c(Cl)c1\n\n","O=C(N(C)C)Nc1ccc(c(c1)Cl)C","O=C(Nc1ccc(c(c1)Cl)C)N(C)C","",1,"CHLORTOLURON(1)","15545-48-9(1)","4073","High Reliability","-"]
[88,"COc1c(Cl)cc(NC(=O)N(C)C)cc1\n\n\n","COc1ccc(cc1Cl)NC(=O)N(C)C","O=C(Nc1ccc(OC)c(c1)Cl)N(C)C","",1,"METOXURON(1)","19937-59-8(1)","4243","High Reliability","-"]
[89,"CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1\n\n\n","CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl","O=C(NCCC)NS(=O)(=O)c1ccc(cc1)Cl","",1,"CHLORPROPAMIDE(1)","94-20-2(1)","722","High Reliability","-"]
[90,"CN(C)C(=S)Nc1c(C)cc(Cl)cc1\nCN(C)C(=S)Nc1ccc(Cl)cc1C\n\n","Clc1ccc(c(c1)C)NC(=S)N(C)C","c1cc(cc(c1NC(N(C)C)=S)C)Cl","",1,"Chloromethiuron(1)","28217-97-2(1)","4459","High Reliability","-"]
[91,"CC(C)c1cc(Cl)c(C)cc1O\nCC(C)c1ccc(C)c(Cl)c1O\n\n","CC(c1cc(Cl)c(cc1O)C)C","Oc1cc(c(cc1C(C)C)Cl)C","",1,"chlorothymol(1)","89-68-9(1)","638","High Reliability","Name verified in PubChem"]
[92,"OC(=O)CC(N(CCC#N)CCC#N)C(O)=O\n\n\n","N#CCCN(C(C(=O)O)CC(=O)O)CCC#N","N#CCCN(CCC#N)C(C(=O)O)CC(=O)O","",1,"DL-Aspartic acid, N,N-bis(2-cyanoethyl)-(1)","6328-90-1(1)","3744","Medium Reliability","-"]
[93,"Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O\n\n\n","OCC1OC(CC1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O","[N-]=[N+]=NC1CC(OC1(CO))N2C=C(C(=O)NC2(=O))C","",1,"THYMIDINE, 3'-AZIDO-3'-DEOXY-(1)","30516-87-1(1)","4507","High Reliability","Stereochemistry removed"]
[94,"Nc1nc(=O)c2c([nH]1)n(cn2)C3OC(CO)C(O)C3O\nNc1nc2n(cnc2c(=O)[nH]1)C3OC(CO)C(O)C3O\n\n","OCC1OC(C(C1O)O)n1cnc2c1[nH]c(N)nc2=O","O=C3N=C(N)Nc1c3(ncn1C2OC(CO)C(O)C2(O))","",1,"GUANOSINE(1)","118-00-3(1)","1315","High Reliability","Stereochemistry removed"]
[95,"CCc1ccc(NC(C)=O)cc1\n\n\n","CCc1ccc(cc1)NC(=O)C","O=C(Nc1ccc(cc1)CC)C","",1,"4-ETHYLACETANILIDE(1)","3663-34-1(1)","3409","High Reliability","-"]
[96,"CCc1ccccc1NC(C)=O\nCCCC(=O)Nc1ccccc1\n\n","CCc1ccccc1NC(=O)C","O=C(Nc1ccccc1CC)C","",1,"2-ethylacetanilide(1)","33098-65-6(1)","4556","High Reliability","Name verified in PubChem"]
[97,"CCCOC(=O)c1ccc(N)cc1\n\n\n","CCCOC(=O)c1ccc(cc1)N","O=C(OCCC)c1ccc(N)cc1","",1,"PROPYL-P-AMINOBENZOATE(1)","94-12-2(1)","718","Medium Reliability","-"]
[98,"CCOc1ccc(NC(C)=O)cc1\n\n\n","CCOc1ccc(cc1)NC(=O)C","O=C(Nc1ccc(OCC)cc1)C","",1,"P-PHENACETIN(1)","62-44-2(1)","207","Medium Reliability","-"]
[99,"CC(C)OC(=O)c1ccc(N)cc1\n\n\n","CC(OC(=O)c1ccc(cc1)N)C","O=C(OC(C)C)c1ccc(N)cc1","",1,"Benzoic acid, 4-amino-, 1-methylethyl ester(1)","18144-43-9(1)","4181","High Reliability","-"]
[100,"CC(C)OC(=O)Nc1ccccc1\n\n\n","CC(OC(=O)Nc1ccccc1)C","O=C(OC(C)C)Nc1ccccc1","",1,"isopropylphenylcarbamate(1)","122-42-9(1)","1392","Medium Reliability","Name verified in PubChem"]
[101,"CNC(Cc1ccc(O)cc1)C(O)=O\n\n\n","CNC(C(=O)O)Cc1ccc(cc1)O","O=C(O)C(NC)Cc1ccc(O)cc1","",1,"L-Tyrosine, N-methyl-(1)","537-49-5(1)","2048","High Reliability","Stereochemistry removed"]
[102,"CCOc1ccc(NC(=O)CO)cc1\n\n\n","CCOc1ccc(cc1)NC(=O)CO","O=C(Nc1ccc(OCC)cc1)CO","",1,"Acetamide, N-(4-ethoxyphenyl)-2-hydroxy-(1)","22521-79-5(1)","4320","High Reliability","-"]
[103,"CCC(C)c1cc(c(O)cc1)[N+]([O-])=O\nCCC(C)c1ccc(O)c(c1)[N+]([O-])=O\n\n","CCC(c1ccc(c(c1)[N+](=O)[O-])O)C","O=[N+]([O-])c1cc(ccc1(O))C(C)CC","",1,"4-(SEC-BUTYL)-2-NITROPHENOL(1)","3555-18-8(1)","3394","High Reliability","-"]
[104,"CC(N)(Cc1ccc(O)c(O)c1)C(O)=O\nCOC(=O)C(N)Cc1ccc(O)c(O)c1\n\n","OC(=O)C(Cc1ccc(c(c1)O)O)(N)C","O=C(O)C(N)(C)Cc1ccc(O)c(O)c1","",1,"methyldopa(1)","555-30-6(1)","2147","High Reliability","Stereochemistry removed, Name verified in PubChem"]
[105,"C1CN(CCS1)c2ccccc2\n\n\n","S1CCN(CC1)c1ccccc1","c1ccc(cc1)N2CCSCC2","",1,"Thiomorpholine, 4-phenyl-(1)","55330-78-4(1)","4910","High Reliability","-"]
[106,"CC(C)(C)c1ccccc1\n\n\n","CC(c1ccccc1)(C)C","c1ccc(cc1)C(C)(C)C","",1,"T-BUTYLBENZENE(1)","98-06-6(1)","809","High Reliability","-"]
[107,"CCCCc1ccccc1\n\n\n","CCCCc1ccccc1","c1ccc(cc1)CCCC","",1,"N-BUTYLBENZENE(1)","104-51-8(1)","954","High Reliability","-"]
[108,"CCC(C)c1ccccc1\n\n\n","CCC(c1ccccc1)C","c1ccc(cc1)C(C)CC","",1,"SEC-BUTYLBENZENE(1)","135-98-8(1)","1526","High Reliability","-"]
[109,"CCc1ccc(CC)cc1\n\n\n","CCc1ccc(cc1)CC","c1cc(ccc1CC)CC","",1,"P-DIETHYLBENZENE(1)","105-05-5(1)","964","High Reliability","-"]
[110,"CCc1cc(CC)ccc1\n\n\n","CCc1cccc(c1)CC","c1cc(cc(c1)CC)CC","",1,"M-DIETHYLBENZENE(1)","141-93-5(1)","1575","High Reliability","-"]
[111,"CCc1ccccc1CC\n\n\n","CCc1ccccc1CC","c1ccc(c(c1)CC)CC","",2,"O-DIETHYLBENZENE(1), DIETHYLBENZENE(1)","135-01-3(1), 25340-17-4(1)","1522, 4396","High Reliability","Checked on ChemID"]
[112,"Cc1cc(C)c(C)cc1C\n\n\n","Cc1cc(C)c(cc1C)C","c1c(c(cc(c1C)C)C)C","",1,"1,2,4,5-TETRAMETHYLBENZENE(1)","95-93-2(1)","761","High Reliability","-"]
[113,"CC(C)c1cc(C)ccc1\n\n\n","Cc1cccc(c1)C(C)C","c1cc(cc(c1)C(C)C)C","",1,"M-CYMENE(1)","535-77-3(1)","2035","High Reliability","-"]
[114,"CC(C)c1ccc(C)cc1\n\n\n","Cc1ccc(cc1)C(C)C","c1cc(ccc1C)C(C)C","",1,"P-CYMENE(1)","99-87-6(1)","859","High Reliability","-"]
[115,"CC(C)c1c(C)cccc1\nCC(C)c1ccccc1C\n\n","CC(c1ccccc1C)C","c1ccc(c(c1)C)C(C)C","",1,"1-METHYL-2-ISOPROPYLBENZENE(1)","527-84-4(1)","2002","High Reliability","-"]
[116,"CC(C)Cc1ccccc1\n\n\n","CC(Cc1ccccc1)C","c1ccc(cc1)CC(C)C","",1,"ISOBUTYLBENZENE(1)","538-93-2(1)","2055","High Reliability","-"]
[117,"ClC(Cl)C(=O)N(CC=C)CC(=O)NCC=C\n\n\n","C=CCNC(=O)CN(C(=O)C(Cl)Cl)CC=C","O=C(NCC=C)CN(C(=O)C(Cl)Cl)CC=C","",1,"dka-24(1)","97454-00-7(1)","5408","Medium Reliability","Name verified in PubChem"]
[118,"CN1CCCC1c2cnccc2\n\n\n","CN1CCCC1c1cccnc1","n1cccc(c1)C2N(C)CCC2","",1,"NICOTINE(1)","54-11-5(1)","75","High Reliability","Stereochemistry removed"]
[119,"C1CCC(NC1)c2cccnc2\n\n\n","C1CCC(NC1)c1cccnc1","n1cccc(c1)C2NCCCC2","",1,"ANABASINE(1)","494-52-0(1)","1887","High Reliability","Stereochemistry removed"]
[120,"CCN(C(N)=O)c1ccccc1C\n\n\n","CCN(c1ccccc1C)C(=O)N","O=C(N)N(c1ccccc1C)CC","",1,"Urea, 1-ethyl-1-o-tolyl-(1)","20722-63-8(1)","4270","High Reliability","Checked on PubChem, Checked on ChemID"]
[121,"CCN(CC)C(=O)c1cccnc1\n\n\n","CCN(C(=O)c1cccnc1)CC","O=C(c1cnccc1)N(CC)CC","",1,"NIKETHAMIDE(1)","59-26-7(1)","164","High Reliability","-"]
[122,"CC(C)C1(CC=C)C(=O)NC(=O)NC1=O\n\n\n","C=CCC1(C(C)C)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC=C)C(C)C","",1,"APROBARBITAL(1)","77-02-1(1)","409","High Reliability","-"]
[123,"CC=CCC1(C)C(O)=NC(=O)N(C)C1=O\nCC=CCC1(C)C(=O)NC(=O)N(C)C1=O\n\n","CC=CCC1(C)C(=NC(=O)N(C1=O)C)O","O=C1N=C(O)C(C(=O)N1C)(C)CC=CC","",1,"Barbituric acid, 5-(2-butenyl)-1,5-dimethyl-(1)","91761-25-0(1)","5369","Medium Reliability","-"]
[124,"CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C\n\n\n","CC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)O","O=C2c1c(ncn1CC(O)C)N(C(=O)N2C)C","",1,"PROXYPHYLLINE(1)","603-00-9(1)","2373","High Reliability","-"]
[125,"Cn1c2c(n(CC(O)CO)cn2)c(=O)n(C)c1=O\n\n\n","OCC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)O","O=C2c1c(ncn1CC(O)CO)N(C(=O)N2C)C","",1,"Dyphylline(1)","479-18-5(1)","1841","High Reliability","-"]
[126,"Nc1c2ncn(C3OC(CO)C(OP(O)(O)=O)C3O)c2ncn1\nNc1ncnc2n(cnc12)C3OC(CO)C(OP(O)(O)=O)C3O\n\n","OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N","O=P(O)(O)OC1C(O)C(OC1(CO))n3cnc2c(ncnc23)N","",1,"3'-Adenylic acid(1)","84-21-9(1)","538","High Reliability","Stereochemistry removed"]
[127,"Nc1ncnc2c1ncn2C3OC(COP(O)(O)=O)C(O)C3O\n\n\n","OC1C(O)C(OC1n1cnc2c1ncnc2N)COP(=O)(O)O","O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3(O)","",1,"5'-Adenylic acid(1)","61-19-8(1)","198","High Reliability","Stereochemistry removed"]
[128,"CCc1nc2nc(=N)[nH]c(N)c2nc1CC\nCCc1nc2nc(N)nc(N)c2nc1CC\n\n","CCc1nc2nc(=N)[nH]c(c2nc1CC)N","N=C2N=C1N=C(C(=NC1=C(N)N2)CC)CC","",1,"2,4-Pteridinediamine, 6,7-diethyl-(1)","19152-77-3(1)","4217","Medium Reliability","-"]
[129,"CCOP(=S)(OCC)Oc1ccc(cc1)[N+]([O-])=O\n\n\n","CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC","O=[N+]([O-])c1ccc(OP(OCC)(OCC)=S)cc1","",1,"PARATHION(1)","56-38-2(1)","94","High Reliability","-"]
[130,"CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O\n\n\n","CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC","O=[N+]([O-])c1ccc(OP(=O)(OCC)OCC)cc1","",1,"PARAOXON(1)","311-45-5(1)","1717","High Reliability","-"]
[131,"CC(C)(C)c1ccc(O)cc1\n\n\n","CC(c1ccc(cc1)O)(C)C","Oc1ccc(cc1)C(C)(C)C","",1,"P-T-BUTYLYPHENOL(1)","98-54-4(1)","819","Medium Reliability","-"]
[132,"CC(C)(C)c1cccc(O)c1\n\n\n","Oc1cccc(c1)C(C)(C)C","Oc1cccc(c1)C(C)(C)C","",1,"PHENOL, 3-(1,1-DIMETHYLETHYL)-(1)","585-34-2(1)","2249","High Reliability","-"]
[133,"CC(C)(C)c1c(O)cccc1\nCC(C)(C)Oc1ccccc1\nCC(C)(C)c1ccccc1O\n","Oc1ccccc1C(C)(C)C","Oc1ccccc1C(C)(C)C","",1,"o-t-butylphenol(1)","88-18-6(1)","612","High Reliability","Name verified in PubChem"]
[134,"CCC(C)c1ccc(O)cc1\n\n\n","CCC(c1ccc(cc1)O)C","Oc1ccc(cc1)C(C)CC","",1,"P-(SEC-BUTYL)PHENOL(1)","99-71-8(1)","855","High Reliability","-"]
[135,"CC(=C)C1CC=C(C)C(=O)C1\nCC(C)c1ccc(C)c(O)c1\n\n","CC(=C)C1CC=C(C(=O)C1)C","O=C1C(=CCC(C(=C)C)C1)C","",4,"CARVONE(1), Phenol, 2-methyl-5-(1-methylethyl)-(1), 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)(1), (R)-(-)-CARVONE(1)","99-49-0(1), 499-75-2(1), 2244-16-8(1), 6485-40-1(1)","847, 1907, 3146, 3758","High Reliability","Stereochemistry removed"]
[136,"CC(C)c1ccc(C)cc1O\n\n\n","Cc1ccc(c(c1)O)C(C)C","Oc1cc(ccc1C(C)C)C","",1,"THYMOL(1)","89-83-8(1)","642","High Reliability","-"]
[137,"CC(C)c1cccc(C)c1O\n\n\n","CC(c1cccc(c1O)C)C","Oc1c(cccc1C(C)C)C","",1,"2-ISOPROPYL-6-METHYLPHENOL(1)","3228-04-4(1)","3353","High Reliability","-"]
[138,"CC(C)c1c(O)ccc(C)c1\nCC(C)c1cc(C)ccc1O\n\n","Cc1ccc(c(c1)C(C)C)O","Oc1ccc(cc1C(C)C)C","",1,"Phenol, 4-methyl-2-(1-methylethyl)-(1)","4427-56-9(1)","3494","High Reliability","-"]
[139,"CC(C)(C)c1cc(O)c(O)cc1\n\n\n","Oc1ccc(cc1O)C(C)(C)C","Oc1ccc(cc1(O))C(C)(C)C","",1,"1,2-Benzenediol, 4-(1,1-dimethylethyl)-(1)","98-29-3(1)","814","High Reliability","-"]
[140,"CC1(C)C2CCC1(C)C(=O)C2=O\n\n\n","O=C1C(=O)C2(C(C1CC2)(C)C)C","O=C1C(=O)C2(C)(CCC1C2(C)(C))","",1,"CAMPHORQUINONE(1)","465-29-2(1)","1818","High Reliability","-"]
[141,"CCCCSc1cc(O)cc(O)c1\n\n\n","CCCCSc1cc(O)cc(c1)O","Oc1cc(O)cc(c1)SCCCC","",1,"1,3-Benzenediol, 5-(butylthio)-(1)","54839-92-8(1)","4897","Medium Reliability","-"]
[142,"COc1ccccc1OCC(O)CO\n\n\n","OCC(COc1ccccc1OC)O","OCC(O)COc1ccccc1(OC)","",1,"1,2-Propanediol, 3-(2-methoxyphenoxy)-(1)","93-14-1(1)","701","High Reliability","-"]
[143,"CCN(CC)c1ccccc1\n\n\n","CCN(c1ccccc1)CC","c1ccc(cc1)N(CC)CC","",1,"N,N-DIETHYLANILINE(1)","91-66-7(1)","674","High Reliability","-"]
[144,"CCc1cccc(CC)c1N\n\n\n","CCc1cccc(c1N)CC","Nc1c(cccc1CC)CC","",1,"2,6-DIETHYLANILINE(1)","579-66-8(1)","2222","High Reliability","-"]
[145,"CN(C)CCc1ccc(O)cc1\nCN(C)CCc1ccc(O)cc1.OS(O)(=O)=O\n\n","CN(CCc1ccc(cc1)O)C","Oc1ccc(cc1)CCN(C)C","",1,"Hordenine(1)","539-15-1(1)","2057","High Reliability","Differences in counterions"]
[146,"CCN(CCO)c1ccccc1\n\n\n","OCCN(c1ccccc1)CC","OCCN(c1ccccc1)CC","",1,"ETHANOL, 2-(ETHYLPHENYLAMINO)-(1)","92-50-2(1)","686","High Reliability","-"]
[147,"CNC(C)C(O)c1ccccc1\n\n\n","CNC(C(c1ccccc1)O)C","OC(c1ccccc1)C(NC)C","",1,"(1R,2S)-(-)-EPHEDRINE(1)","299-42-3(1)","1697","Medium Reliability","Stereochemistry removed"]
[148,"OCCN(CCO)c1ccccc1\n\n\n","OCCN(c1ccccc1)CCO","OCCN(c1ccccc1)CCO","",1,"PHENYLDIETHANOLAMINE(1)","120-07-0(1)","1350","High Reliability","-"]
[149,"COc1ccc(NCC(O)CO)cc1\n\n\n","OCC(CNc1ccc(cc1)OC)O","OCC(O)CNc1ccc(OC)cc1","",1,"3-p-anisidino-propane-1,2-diol(1)","121082-77-7(1)","5640","Medium Reliability","-"]
[150,"COP(=S)(OC)Oc1cc(C)c(SC)cc1\n\n\n","CSc1ccc(cc1C)OP(=S)(OC)OC","O(c1ccc(c(c1)C)SC)P(OC)(OC)=S","",1,"FENTHION(1)","55-38-9(1)","83","High Reliability","-"]
[151,"CCOP(=S)(CC)Sc1ccccc1\nOS.FONOP\n\n","CCP(=S)(Sc1ccccc1)OCC","O(CC)P(CC)(=S)Sc1ccccc1","",1,"FONOPHOS(1)","944-22-9(1)","2766","Medium Reliability","-"]
[152,"CC(C)=CCCC(=C)C=C\n\n\n","C=CC(=C)CCC=C(C)C","C=CC(=C)CCC=C(C)C","",1,"3-METHYLENE-7-METHYL-1,6-OCTADIENE  (MYRCENE)(1)","123-35-3(1)","1414","Medium Reliability","-"]
[153,"CC1=CCC2CC1C2(C)C\n\n\n","CC1=CCC2CC1C2(C)C","C1=C(C)C2CC(C1)C2(C)(C)","",1,"ALPHA-PINENE(1)","80-56-8(1)","495","High Reliability","-"]
[154,"CC1(C)C2CCC(C2)C1=C\n\n\n","C=C1C2CCC(C1(C)C)C2","C=C2C1CCC(C1)C2(C)C","",1,"CAMPHENE(1)","79-92-5(1)","483","High Reliability","-"]
[155,"CC(C)C1=CCC(C)=CC1\nCC(=C)C1CCC(C)=CC1\nCC(C)=C1CCC(C)=CC1\n","CC1=CCC(CC1)C(=C)C","C=C(C)C1CC=C(C)CC1","",4,"GAMMA-TERPINENE(1), LIMONENE(1), TERPINOLENE(1), D-LIMONENE(1)","99-85-4(1), 138-86-3(1), 586-62-9(1), 5989-27-5(1)","858, 1542, 2258, 3688","High Reliability","Stereochemistry removed"]
[156,"CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl\n\n\n","CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C","O=C(N(C(C)C)C(C)C)SCC(=C(Cl)Cl)Cl","",1,"TRIALLATE(1)","2303-17-5(1)","3160","High Reliability","-"]
[157,"CCCC1(CCC)C(=O)NC(=O)NC1=O\n\n\n","CCCC1(CCC)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CCC)CCC","",1,"barbituricacid,5,5-dipr(1)","2217-08-5(1)","3134","Medium Reliability","Name verified in PubChem"]
[158,"CCCCC1(CC)C(=O)NC(=O)NC1=O\n[Na+].CCCCC1(CC)C(=O)NC(=O)[N-]C1=O\n\n","CCCCC1(CC)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC)CCCC","",1,"5-BUTYL-5-ETHYLBARBITURIC ACID(1)","77-28-1(1)","415","High Reliability","Differences in counterions"]
[159,"[Na+].CCC(C)C1(CC)C(O)=NC(=O)N=C1[O-]\n[Na+].CCC(C)C1(CC)C(=O)NC(=O)[N-]C1=O\n\n","CCC(C1(CC)C(=NC(=O)N=C1O)O)C","O=C1N=C(O)C(C(O)=N1)(CC)C(C)CC","",1,"Butabarbital Sodium(1)","143-81-7(1)","1597","High Reliability","-"]
[160,"[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O\nOC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O\nCC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O.NCCN\n","OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O","O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O","",2,"EDTA, SODIUM SALT(1), ethylenediaminetetraaceticacid(1)","64-02-8(1), 60-00-4(1)","224, 178","Medium Reliability, High Reliability","Name verified in PubChem"]
[161,"CN1CC(O)N(C1=O)c2nnc(s2)C(C)(C)C\n\n\n","OC1CN(C(=O)N1c1nnc(s1)C(C)(C)C)C","O=C2N(c1nnc(C(C)(C)C)s1)C(O)CN2C","",1,"BUTHIDAZOLE(1)","55511-98-3(1)","4912","High Reliability","-"]
[162,"Nc1c(OC2OC(CO)C(O)C(O)C2O)c(O)nc(=N)[nH]1\nNc1nc(=O)c(c(N)[nH]1)OC2OC(CO)C(O)C(O)C2O\n\n","OCC1OC(Oc2c(O)nc(=N)[nH]c2N)C(C(C1O)O)O","N=C2N=C(O)C(OC1OC(CO)C(O)C(O)C1(O))=C(N)N2","",1,"Vicine(1)","152-93-2(1)","1634","High Reliability","Stereochemistry removed"]
[163,"Nc1ncnc2c1ncn2C3OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C3O\n\n\n","OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1ncnc2N","O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3(O)","",1,"Adenosine Triphosphate(1)","56-65-5(1)","103","High Reliability","Stereochemistry removed"]
[164,"CNC(NCCSCc1c(C)[nH]cn1)=NC#N\nCN=C(NCCSCc1nc[nH]c1C)NC#N\n\n","N#CN=C(NCCSCc1nc[nH]c1C)NC","N#CN=C(NC)NCCSCc1nc[nH]c1C","",1,"CIMETIDINE(1)","51481-61-9(1)","4813","High Reliability","Stereochemistry removed"]
[165,"CC1CCC(CC1=O)C(C)=C\nCC(C)C1=CC(=O)C(C)CC1\n\n","CC(=C)C1CCC(C(=O)C1)C","O=C1CC(C(=C)C)CCC1C","",2,"2-METHYL-5-(1-METHYLETHENYL)CYCLOHEXANONE(1), 6-METHYL-3-ISOPROPYL-2-CYCLOHEXEN-1-ONE(1)","7764-50-3(1), 499-74-1(1)","3880, 1906","High Reliability","Checked on PubChem, Checked on ChemID"]
[166,"CC(C)=CCCC(C)=CC=O\n\n\n","O=CC=C(CCC=C(C)C)C","O=CC=C(C)CCC=C(C)C","",1,"CITRAL(1)","5392-40-5(1)","3596","High Reliability","Stereochemistry removed"]
[167,"CC12OC1CC3CC2C3(C)C\n\n\n","CC1(C)C2CC3C(C1C2)(C)O3","O1C2CC3CC(C12(C))C3(C)(C)","",1,"alpha-Pinene Oxide(1)","1686-14-2(1)","2958","High Reliability","-"]
[168,"CC1(C)C2CCC(C)(C2)C1=O\n\n\n","O=C1C2(C)CCC(C1(C)C)C2","O=C2C1(C)(CCC(C1)C2(C)C)","",1,"d-Fenchone(1)","4695-62-9(1)","3523","High Reliability","Stereochemistry removed"]
[169,"CC1(C)C2CCC1(C)C(=O)C2\n\n\n","O=C1CC2C(C1(C)CC2)(C)C","O=C1CC2CCC1(C)C2(C)(C)","",2,"CAMPHOR(1), (1R,4R)-(+)-CAMPHOR(1)","76-22-2(1), 464-49-3(1)","393, 1815","High Reliability","Stereochemistry removed"]
[170,"CC1CCC2C1COC(=O)C2C\n\n\n","CC1CCC2C1COC(=O)C2C","O=C1OCC2C(C)CCC2(C1C)","",1,"Iridomyrmecin(1)","485-43-8(1)","1860","High Reliability","Stereochemistry removed"]
[171,"CC1(C)OC2(C)CCC1CC2=O\n\n\n","O=C1CC2CCC1(C)OC2(C)C","O=C2CC1CCC2(OC1(C)(C))C","",1,"2-Oxabicyclo[2.2.2]octan-6-one, 1,3,3-trimethyl-(1)","18679-55-5(1)","4203","Medium Reliability","-"]
[172,"CC(=O)C1CC(CC(O)=O)C1(C)C\n\n\n","OC(=O)CC1CC(C1(C)C)C(=O)C","O=C(O)CC1CC(C(=O)C)C1(C)(C)","",1,"Cyclobutaneacetic acid, 3-acetyl-2,2-dimethyl-(1)","473-72-3(1)","1833","High Reliability","-"]
[173,"CC(=O)CC(=O)OC1CCCCC1\n\n\n","O=C(CC(=O)C)OC1CCCCC1","O=C(OC1CCCCC1)CC(=O)C","",1,"Butanoic acid, 3-oxo-, cyclohexyl ester(1)","6947-02-0(1)","3803","Medium Reliability","-"]
[174,"CC1(C)C(CCC1(C)C(O)=O)C(O)=O\nCC1(C)C(CCC1(C)C([O-])=O)C([O-])=O\nCC1(C)C(CCC1(C)C(O)=O)C(O)=O\n","OC(=O)C1CCC(C1(C)C)(C)C(=O)O","O=C(O)C1CCC(C(=O)O)(C)C1(C)(C)","",2,"CAMPHORIC ACID(1), CIS-1,2,2-TRIMETHYL-1,3-CYCLOPENTANEDICARBOXYL*(1)","124-83-4(1), 5394-83-2(1)","1453, 3597","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[175,"CC(C)N(C(C)C)C(=O)SCC(Cl)=CCl\n\n\n","ClC=C(CSC(=O)N(C(C)C)C(C)C)Cl","O=C(N(C(C)C)C(C)C)SCC(=CCl)Cl","",1,"DIALLATE(1)","2303-16-4(1)","3159","High Reliability","Stereochemistry removed"]
[176,"CCOc1cc(OP(=S)(OC)OC)nc(CC)n1\n\n\n","CCOc1cc(nc(n1)CC)OP(=S)(OC)OC","n1c(OCC)cc(nc1CC)OP(OC)(OC)=S","",1,"ETRIMFOS(1)","38260-54-7(1)","4664","High Reliability","-"]
[177,"CN(C)C(=O)Nc1noc(c1)C(C)(C)C\n\n\n","O=C(N(C)C)Nc1noc(c1)C(C)(C)C","O=C(Nc1noc(c1)C(C)(C)C)N(C)C","",1,"ISOURON(1)","55861-78-4(1)","4924","High Reliability","-"]
[178,"CC(C)n1nc(C)cc1OC(=O)N(C)C\n\n\n","O=C(N(C)C)Oc1cc(nn1C(C)C)C","O=C(Oc1cc(nn1C(C)C)C)N(C)C","",1,"ISOLAN(1)","119-38-0(1)","1337","High Reliability","-"]
[179,"C1CCC2CCCCC2C1\n\n\n","C1CCC2C(C1)CCCC2","C1CCC2CCCCC2(C1)","",1,"DECAHYDRONAPHTHALENE(1)","91-17-8(1)","664","High Reliability","-"]
[180,"COC1OC(CNC(=O)N(CCCl)N=O)C(O)C(O)C1O\n\n\n","ClCCN(C(=O)NCC1OC(OC)C(C(C1O)O)O)N=O","O=NN(C(=O)NCC1OC(OC)C(O)C(O)C1(O))CCCl","",1,"Ranimustine(1)","58994-96-0(1)","4968","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[181,"CCN(CC)c1nc(NC(C)C)nc(Cl)n1\nCCN(CC)c1nc(Cl)nc(NC(C)C)n1\n\n","CCN(c1nc(NC(C)C)nc(n1)Cl)CC","n1c(nc(nc1N(CC)CC)Cl)NC(C)C","",1,"IPAZINE(1)","1912-25-0(1)","3020","High Reliability","-"]
[182,"COCCCNc1nc(NC(C)C)nc(Cl)n1\n\n\n","COCCCNc1nc(Cl)nc(n1)NC(C)C","n1c(nc(nc1NC(C)C)Cl)NCCCOC","",1,"G 34698(1)","1824-09-5(1)","2991","Medium Reliability","-"]
[183,"ON=C1CCCCCCCCC1=NO\n\n\n","ON=C1CCCCCCCCC1=NO","ON=C1C(=NO)CCCCCCCC1","",1,"1,2-Cyclodecanedione, dioxime(1)","18486-81-2(1)","4197","Medium Reliability","-"]
[184,"CCOC(=O)N1CCN(CC1)C(=O)OCC\n\n\n","CCOC(=O)N1CCN(CC1)C(=O)OCC","O=C(OCC)N1CCN(C(=O)OCC)CC1","",1,"1,4-Piperazinedicarboxylic acid, diethyl ester(1)","5470-28-0(1)","3628","High Reliability","-"]
[185,"CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC\n\n\n","CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C","O=C(ON=C(C)SC)N(C)SN(C(=O)ON=C(C)SC)C","",1,"THIODICARB(1)","59669-26-0(1)","4974","High Reliability","Stereochemistry removed"]
[186,"CC(C)=CCCC(C)(O)C=C\n\n\n","C=CC(CCC=C(C)C)(O)C","OC(C=C)(C)CCC=C(C)C","",1,"LINALOOL(1)","78-70-6(1)","442","High Reliability","-"]
[187,"CC(C)C1CCC(C)CC1=O\n\n\n","CC1CCC(C(=O)C1)C(C)C","O=C1CC(C)CCC1C(C)C","",2,"(-)-Menthone(1), 5-methyl-2-(1-methylethyl)-cyclohexanone(tr*)(1)","14073-97-3(1), 89-80-5(1)","4008, 641","High Reliability","Stereochemistry removed, Manual Check passed"]
[188,"CC(=C)C1CCC(C)(O)CC1\nCOc1cc(C=CCO)cc(OC)c1OC2OC(CO)C(O)C(O)C2O\n\n","CC(=C)C1CCC(CC1)(C)O","OC1(C)(CCC(C(=C)C)CC1)","",1,"beta-terpineol(1)","138-87-4(1)","1543","High Reliability","Stereochemistry removed, Name verified in PubChem"]
[189,"CC1=CCC(CC1)C(C)(C)O\n\n\n","CC1=CCC(CC1)C(O)(C)C","OC(C)(C)C1CC=C(C)CC1","",1,"ALPHA-TERPINEOL(1)","98-55-5(1)","820","High Reliability","Stereochemistry removed"]
[190,"CC(C)=CCCC(C)=CCO\n\n\n","OCC=C(CCC=C(C)C)C","OCC=C(C)CCC=C(C)C","",2,"GERANIOL(1), 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-(1)","106-24-1(1), 106-25-2(1)","986, 987","Medium Reliability, High Reliability","Stereochemistry removed"]
[191,"CC1(C)C2CCC1(C)C(O)C2\n\n\n","OC1CC2C(C1(C)CC2)(C)C","OC1CC2CCC1(C)C2(C)(C)","",2,"d-Borneol(1), BORNEOL(1)","464-43-7(1), 507-70-0(1)","1814, 1941","High Reliability","Stereochemistry removed"]
[192,"CC12CCC(CC1)C(C)(C)O2\n\n\n","CC12CCC(CC1)C(O2)(C)C","O1C(C)(C)C2CCC1(C)CC2","",1,"1,8-CINEOLE(1)","470-82-6(1)","1824","High Reliability","-"]
[193,"CC1=CCC(CC1O)C(C)(C)O\n\n\n","CC1=CCC(CC1O)C(O)(C)C","OC1C(=CCC(C1)C(O)(C)C)C","",1,"Sobrerol(1)","498-71-5(1)","1904","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[194,"CC(C)(OC1CCCCC1)C(O)=O\n\n\n","OC(=O)C(OC1CCCCC1)(C)C","O=C(O)C(OC1CCCCC1)(C)C","",1,"Propanoic acid, 2-(cyclohexyloxy)-2-methyl-(1)","91007-35-1(1)","5361","High Reliability","-"]
[195,"CCCCCCCC(C(O)=O)C(O)=O\n\n\n","CCCCCCCC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)CCCCCCC","",1,"Propanedioic acid, heptyl-(1)","760-54-3(1)","2673","Medium Reliability","-"]
[196,"CCCCC(CCC(O)=O)CC(O)=O\n\n\n","CCCCC(CC(=O)O)CCC(=O)O","O=C(O)CCC(CC(=O)O)CCCC","",1,"Hexanedioic acid, 3-butyl-(1)","24767-93-9(1)","4365","Medium Reliability","-"]
[197,"CCOC(=O)CCCCC(=O)OCC\n\n\n","CCOC(=O)CCCCC(=O)OCC","O=C(OCC)CCCCC(=O)OCC","",1,"DIETHYLHEXANEDIOATE(1)","141-28-6(1)","1563","High Reliability","-"]
[198,"CCCC(=O)OCCOC(=O)CCC\n\n\n","CCCC(=O)OCCOC(=O)CCC","O=C(OCCOC(=O)CCC)CCC","",1,"Butanoic acid, 1,2-ethanediyl ester(1)","105-72-6(1)","983","High Reliability","Checked on PubChem, Checked on ChemID"]
[199,"OC(=O)CCCCCCCCC(O)=O\n\n\n","OC(=O)CCCCCCCCC(=O)O","O=C(O)CCCCCCCCC(=O)O","",1,"DECANEDIOIC ACID(1)","111-20-6(1)","1209","High Reliability","-"]
[200,"CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC\n\n\n","CCN(C(=O)C(=C(OP(=O)(OC)OC)C)Cl)CC","O=C(C(=C(OP(=O)(OC)OC)C)Cl)N(CC)CC","",2,"PHOSPHAMIDON(2)","297-99-4(1), 13171-21-6(1)","1686, 3959","High Reliability","Stereochemistry removed"]
[201,"CN(C)C1CCCC=CCC1\n\n\n","CN(C1CCCC=CCC1)C","C1=CCCC(N(C)C)CCC1","",1,"4-Cycloocten-1-amine, N,N-dimethyl-(1)","66950-37-6(1)","5070","Medium Reliability","Stereochemistry removed"]
[202,"CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N\n\n\n","CCOP(=O)(OCC)SCC(=O)NC(C#N)(C)C","N#CC(NC(=O)CSP(=O)(OCC)OCC)(C)C","",1,"Cyanthoate(1)","3734-95-0(1)","3423","High Reliability","-"]
[203,"CC(C)CC(N)C(=O)NCC(=O)NCC(O)=O\n\n\n","CC(CC(C(=O)NCC(=O)NCC(=O)O)N)C","O=C(O)CNC(=O)CNC(=O)C(N)CC(C)C","",1,"Glycine, N-(N-L-leucylglycyl)-(1)","1187-50-4(1)","2863","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[204,"CCNc1nc(nc(OC)n1)N(CC)CC\nCCNc1nc(OC)nc(n1)N(CC)CC\n\n","CCNc1nc(OC)nc(n1)N(CC)CC","n1c(nc(nc1NCC)N(CC)CC)OC","",1,"2-DIETHYLAMINO-4-ETHYLAMINO-6-METHOXY-S-TRIAZI*(1)","13532-26-8(1)","3984","Medium Reliability","-"]
[205,"CCNc1nc(OC)nc(NC(C)CC)n1\n\n\n","CCNc1nc(NC(CC)C)nc(n1)OC","n1c(nc(nc1NCC)NC(C)CC)OC","",1,"SECBUMETON(1)","26259-45-0(1)","4417","High Reliability","-"]
[206,"COc1nc(NC(C)C)nc(NC(C)C)n1\n\n\n","COc1nc(NC(C)C)nc(n1)NC(C)C","n1c(nc(nc1NC(C)C)NC(C)C)OC","",1,"PROMETON(1)","1610-18-0(1)","2943","High Reliability","-"]
[207,"CCNc1nc(OC)nc(NC(C)(C)C)n1\n\n\n","CCNc1nc(OC)nc(n1)NC(C)(C)C","n1c(nc(nc1NCC)NC(C)(C)C)OC","",1,"TERBUMETON(1)","33693-04-8(1)","4569","High Reliability","-"]
[208,"CSc1nc(NC(C)C)nc(NC(C)C)n1\n\n\n","CSc1nc(NC(C)C)nc(n1)NC(C)C","n1c(nc(nc1NC(C)C)SC)NC(C)C","",1,"PROMETRYNE(1)","7287-19-6(1)","3825","High Reliability","-"]
[209,"CCNc1nc(SC)nc(NC(C)(C)C)n1\n\n\n","CCNc1nc(SC)nc(n1)NC(C)(C)C","n1c(nc(nc1NC(C)(C)C)SC)NCC","",1,"TERBUTRYN(1)","886-50-0(1)","2732","High Reliability","-"]
[210,"CCCCCCN1CCCC1=O\n\n\n","CCCCCCN1CCCC1=O","O=C1N(CCC1)CCCCCC","",1,"1-HEXYL-2-PYRROLIDONE(1)","4838-65-7(1)","3546","High Reliability","-"]
[211,"O=C1CCCCCCCCCN1\n\n\n","O=C1CCCCCCCCCN1","O=C1NCCCCCCCCC1","",1,"Azacycloundecan-2-one(1)","1009-89-8(1)","2796","High Reliability","-"]
[212,"CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC\n\n\n","CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC","O=C(OCC)CC(C(=O)OCC)SP(OC)(OC)=S","",1,"MALATHION(1)","121-75-5(1)","1379","Medium Reliability","-"]
[213,"CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC\n\n\n","CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC","O=C(OCC)CC(C(=O)OCC)SP(=O)(OC)OC","",1,"MALAOXON(1)","1634-78-2(1)","2948","High Reliability","-"]
[214,"CCCCCC1CCCC1\n\n\n","CCCCCC1CCCC1","CCCCCC1CCCC1","",1,"CYCLOPENTANE, PENTYL-(1)","3741-00-2(1)","3427","High Reliability","-"]
[215,"CCCCCCCCC=C\n\n\n","CCCCCCCCC=C","C=CCCCCCCCC","",1,"1-DECENE(1)","872-05-9(1)","2723","High Reliability","-"]
[216,"CC(C)C1CCC(C)CC1\n\n\n","CC1CCC(CC1)C(C)C","CC1CCC(CC1)C(C)C","",1,"P-MENTHANE(1)","99-82-1(1)","857","High Reliability","-"]
[217,"CCCC(=O)NCCNC(=O)CCC\n\n\n","CCCC(=O)NCCNC(=O)CCC","O=C(NCCNC(=O)CCC)CCC","",1,"Butanamide, N,N'-1,2-ethanediylbis-(1)","925-49-5(1)","2748","High Reliability","-"]
[218,"CCC(C)C(C)(COC(N)=O)COC(N)=O\n\n\n","CCC(C(COC(=O)N)(COC(=O)N)C)C","O=C(OCC(C)(COC(=O)N)C(C)CC)N","",1,"MEBUTAMATE(1)","64-55-1(1)","229","High Reliability","-"]
[219,"OCCN=C(O)CCCCC(O)=NCCO\nOCCNC(=O)CCCCC(=O)NCCO\n\n","OCCN=C(CCCCC(=NCCO)O)O","OC(=NCCO)CCCCC(O)=NCCO","",1,"Hexanediamide, N,N'-bis(2-hydroxyethyl)-(1)","1964-73-4(1)","3050","High Reliability","-"]
[220,"CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C\n\n\n","CCNP(=S)(OC(=CC(=O)OC(C)C)C)OC","O=C(OC(C)C)C=C(OP(OC)(NCC)=S)C","",1,"PROPETAMPHOS(1)","31218-83-4(1)","4521","High Reliability","Stereochemistry removed"]
[221,"CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC\n\n\n","CCOC(=O)N(C(=O)CSP(=S)(OCC)OCC)C","O=C(OCC)N(C(=O)CSP(OCC)(OCC)=S)C","",1,"MECARBAM(1)","2595-54-2(1)","3249","High Reliability","-"]
[222,"CC(C)(C)C1CCC(O)CC1\n\n\n","OC1CCC(CC1)C(C)(C)C","OC1CCC(CC1)C(C)(C)C","",1,"Cyclohexanol, 4-(1,1-dimethylethyl)-(1)","98-52-2(1)","818","High Reliability","-"]
[223,"CCCCCCCCC(C)=O\n\n\n","CCCCCCCCC(=O)C","O=C(C)CCCCCCCC","",1,"2-DECANONE(1)","693-54-9(1)","2638","High Reliability","-"]
[224,"CC(C)C1CCC(C)CC1O\n\n\n","CC1CCC(C(C1)O)C(C)C","OC1CC(C)CCC1(C(C)C)","",3,"MENTHOL(1), CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-(1), MENTHOL (L)(1)","89-78-1(1), 1490-04-6(1), 2216-51-5(1)","640, 2915, 3131","High Reliability","Stereochemistry removed"]
[225,"CCCCCCCCCC(O)=O\n\n\n","CCCCCCCCCC(=O)O","O=C(O)CCCCCCCCC","",1,"DECANOIC ACID(1)","334-48-5(1)","1742","High Reliability","-"]
[226,"CCCCCCCCC(=O)OC\n\n\n","CCCCCCCCC(=O)OC","O=C(OC)CCCCCCCC","",1,"METHYL NONANOATE(1)","1731-84-6(1)","2974","High Reliability","-"]
[227,"CCCCCCCC(=O)OCC\n\n\n","CCCCCCCC(=O)OCC","O=C(OCC)CCCCCCC","",1,"ETHYL OCTANOATE(1)","106-32-1(1)","989","High Reliability","-"]
[228,"CC(C)(O)C1CCC(C)(O)CC1\nO.CC(C)(O)C1CCC(C)(O)CC1\n\n","CC1(O)CCC(CC1)C(O)(C)C","OC(C)(C)C1CCC(O)(C)CC1","",3,"Terpin(1), trans-Terpin(1), TERPIN HYDRATE (cis-form)(1)","80-53-5(1), 565-50-4(1), 2451-01-6(1)","494, 2188, 3214","High Reliability","Checked on PubChem, Checked on ChemID, Manual Check passed"]
[229,"CCCCCOC(=O)CCOCC\n\n\n","CCCCCOC(=O)CCOCC","O=C(OCCCCC)CCOCC","",1,"Propionic acid, 3-ethoxy-, pentyl ester(1)","14144-36-6(1)","4012","Medium Reliability","-"]
[230,"CCCCOCCOCCOC(C)=O\n\n\n","CCCCOCCOCCOC(=O)C","O=C(OCCOCCOCCCC)C","",1,"DIETHYLENE GLYCOL MONOBUTYL ETHER ACETATE(1)","124-17-4(1)","1441","High Reliability","-"]
[231,"CCC(CC)C(=O)N(CC)CC\n\n\n","CCC(C(=O)N(CC)CC)CC","O=C(N(CC)CC)C(CC)CC","",1,"Butanamide, N,N,2-triethyl-(1)","79868-38-5(1)","5256","Medium Reliability","-"]
[232,"CCCSC(=O)N(CCC)CCC\n\n\n","CCCSC(=O)N(CCC)CCC","O=C(N(CCC)CCC)SCCC","",1,"VERNOLATE(1)","1929-77-7(1)","3038","High Reliability","-"]
[233,"CCCCN(CC)C(=O)SCCC\n\n\n","CCCCN(C(=O)SCCC)CC","O=C(N(CC)CCCC)SCCC","",1,"PEBULATE(1)","1114-71-2(1)","2825","High Reliability","-"]
[234,"CCCCCCCCCC\n\n\n","CCCCCCCCCC","CCCCCCCCCC","",1,"N-DECANE(1)","124-18-5(1)","1442","High Reliability","-"]
[235,"CCCCC(C)(C)CCC\n\n\n","CCCCC(CCC)(C)C","CCCCC(C)(C)CCC","",1,"4,4-Dimethyloctane(1)","15869-95-1(1)","4080","High Reliability","-"]
[236,"CCCCCCCCCCO\n\n\n","CCCCCCCCCCO","OCCCCCCCCCC","",1,"1-DECANOL(1)","112-30-1(1)","1248","High Reliability","-"]
[237,"CC(C)CCOCCC(C)C\n\n\n","CC(CCOCCC(C)C)C","O(CCC(C)C)CCC(C)C","",1,"DIISOPENTYL ETHER(1)","544-01-4(1)","2106","High Reliability","-"]
[238,"CCCCCCCCOCCO\n\n\n","CCCCCCCCOCCO","OCCOCCCCCCCC","",1,"Ethanol, 2-(octyloxy)-(1)","10020-43-6(1)","3893","High Reliability","-"]
[239,"CCCCOCCOCCCC\n\n\n","CCCCOCCOCCCC","O(CCOCCCC)CCCC","",1,"1,2-DIBUTOXYETHANE(1)","112-48-1(1)","1256","High Reliability","-"]
[240,"OCCCCCCCCCCO\n\n\n","OCCCCCCCCCCO","OCCCCCCCCCCO","",1,"1,10-Decanediol(1)","112-47-0(1)","1255","High Reliability","-"]
[241,"CCCCCCOCCOCCO\n\n\n","CCCCCCOCCOCCO","OCCOCCOCCCCCC","",1,"ETHANOL, 2- 2-(HEXYLOXY)ETHOXY -(1)","112-59-4(1)","1260","Medium Reliability","-"]
[242,"CCCCOCC(C)OCC(C)O\n\n\n","CCCCOCC(OCC(O)C)C","OC(C)COC(C)COCCCC","",1,"2-Propanol, 1-(2-butoxy-1-methylethoxy)-(1)","29911-28-2(1)","4494","High Reliability","-"]
[243,"CCCCOCCOCCOCCO\n\n\n","CCCCOCCOCCOCCO","OCCOCCOCCOCCCC","",1,"TRIETHYLENE GLYCOL BUTYL ETHER(1)","143-22-6(1)","1595","High Reliability","-"]
[244,"COCC(C)OCC(C)OC(C)CO\n\n\n","CC(OC(CO)C)COC(COC)C","OCC(OC(C)COC(C)COC)C","",1,"Dowanol TPM(1)","25498-49-1(1)","4401","High Reliability","Checked on PubChem, Checked on ChemID"]
[245,"OCC(CO)(CO)COCC(CO)(CO)CO\n\n\n","OCC(COCC(CO)(CO)CO)(CO)CO","OCC(CO)(CO)COCC(CO)(CO)CO","",1,"Dipentaerythritol(1)","126-58-9(1)","1461","High Reliability","-"]
[246,"CCCCCSS(=O)CCCCC\n\n\n","CCCCCSS(=O)CCCCC","O=S(CCCCC)SCCCCC","",1,"1-Pentanesulfinothioic acid, S-pentyl ester(1)","84549-06-4(1)","5301","Medium Reliability","-"]
[247,"CCCCCCCCCCN\n\n\n","CCCCCCCCCCN","NCCCCCCCCCC","",1,"N-DECYLAMINE(1)","2016-57-1(1)","3067","High Reliability","-"]
[248,"CCCCN(CCO)CCCC\n\n\n","CCCCN(CCCC)CCO","OCCN(CCCC)CCCC","",1,"2-Dibutylaminoethanol(1)","102-81-8(1)","924","High Reliability","-"]
[249,"CCCCP(=O)(CCCC)OCC\n\n\n","CCCCP(=O)(OCC)CCCC","O=P(OCC)(CCCC)CCCC","",1,"Phosphinic acid, dibutyl-, ethyl ester(1)","7100-92-7(1)","3815","Medium Reliability","Checked on PubChem"]
[250,"CCOP(=O)(SC(C)CC)SC(C)CC\n\n\n","CCOP(=O)(SC(CC)C)SC(CC)C","O=P(OCC)(SC(C)CC)SC(C)CC","",1,"CADUSAFOS(1)","95465-99-9(1)","5393","High Reliability","-"]
[251,"CCCCCCP(=O)(OCC)OCC\n\n\n","CCCCCCP(=O)(OCC)OCC","O=P(OCC)(OCC)CCCCCC","",1,"Phosphonic acid, hexyl-, diethyl ester(1)","16165-66-5(1)","4094","Medium Reliability","-"]
[252,"CCCCOP(=O)(CC)OCCCC\n\n\n","CCP(=O)(OCCCC)OCCCC","O=P(OCCCC)(OCCCC)CC","",1,"Phosphonic acid, ethyl-, dibutyl ester(1)","2404-58-2(1)","3193","Medium Reliability","-"]
[253,"Fc1ccc(cc1)N2C(=O)C(Cl)=C(Cl)C2=O\n\n\n","O=C1C(=C(C(=O)N1c1ccc(cc1)F)Cl)Cl","O=C1C(=C(C(=O)N1c2ccc(F)cc2)Cl)Cl","",1,"sparticide(1)","41205-21-4(1)","4740","Medium Reliability","Name verified in PubChem"]
[254,"ClC1=C(Cl)C(=O)c2c(cccc2)C1=O\nClC1=C(Cl)C(=O)c2ccccc2C1=O\n\n","O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl","O=C1c2ccccc2(C(=O)C(=C1Cl)Cl)","",1,"DICHLONE(1)","117-80-6(1)","1310","High Reliability","-"]
[255,"Clc1cc2c(cc(Cl)cc2Cl)c(Cl)c1\nClc1cc(Cl)c2cc(Cl)cc(Cl)c2c1\n\n","Clc1cc(Cl)c2c(c1)c(Cl)cc(c2)Cl","c2c1c(cc(cc1Cl)Cl)c(cc2Cl)Cl","",1,"1,3,5,7-TETRACHLORONAPHTHALENE(1)","53555-64-9(1)","4873","High Reliability","-"]
[256,"Clc1cc2c(Cl)ccc(Cl)c2cc1Cl\nClc1ccc(Cl)c2cc(Cl)c(Cl)cc12\n\n","Clc1cc2c(Cl)ccc(c2cc1Cl)Cl","c2cc(c1cc(c(cc1c2Cl)Cl)Cl)Cl","",1,"1,4,6,7-TETRACHLORONAPHTHALENE(1)","55720-43-9(1)","4921","High Reliability","-"]
[257,"Clc1cccc2c(Cl)c(Cl)c(Cl)cc12\n\n\n","Clc1cc2c(Cl)cccc2c(c1Cl)Cl","c2cc1c(cc(c(c1Cl)Cl)Cl)c(c2)Cl","",1,"1,2,3,5-TETRACHLORONAPHTHALENE(1)","53555-63-8(1)","4872","High Reliability","-"]
[258,"Clc1c(Cl)c(Cl)c2ccccc2c1Cl\n\n\n","Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl","c1ccc2c(c1)c(c(c(c2Cl)Cl)Cl)Cl","",1,"1,2,3,4-TETRACHLORONAPHTHALENE(1)","20020-02-4(1)","4245","High Reliability","-"]
[259,"Clc1cc2c(Cl)cc(Cl)cc2cc1\nClc1ccc2cc(Cl)cc(Cl)c2c1\n\n","Clc1cc(Cl)c2c(c1)ccc(c2)Cl","c1cc(cc2c1cc(cc2Cl)Cl)Cl","",1,"1,3,7-TRICHLORONAPHTHALENE(1)","55720-37-1(1)","4919","High Reliability","-"]
[260,"Clc1cc2cc(Cl)c(Cl)cc2cc1\n\n\n","Clc1ccc2c(c1)cc(c(c2)Cl)Cl","c1cc(cc2cc(c(cc12)Cl)Cl)Cl","",1,"2,3,6-TRICHLORONAPHTHALENE(1)","55720-40-6(1)","4920","High Reliability","-"]
[261,"ClC1C=CC2C1C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl\n\n\n","ClC1C=CC2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl","C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"HEPTACHLOR(1)","76-44-8(1)","399","High Reliability","-"]
[262,"ClC1C2OC2C3C1C4(Cl)C(Cl)=C(Cl)C3(Cl)C4(Cl)Cl\n\n\n","ClC1C2OC2C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl","O1C2C1C(C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"HEPTACHLOR EPOXIDE(1)","1024-57-3(1)","2801","High Reliability","-"]
[263,"[O-][N+](=O)c1cccc2c(ccc(c12)[N+]([O-])=O)[N+]([O-])=O\n[O-][N+](=O)c1ccc(c2c1cccc2[N+]([O-])=O)[N+]([O-])=O\n\n","[O-][N+](=O)c1ccc(c2c1cccc2[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c2ccc(c1c2(cccc1[N+](=O)[O-]))[N+](=O)[O-]","",1,"Naphthalene, 1,4,5-trinitro-(1)","2243-95-0(1)","3145","High Reliability","-"]
[264,"Clc1cccc2cccc(Cl)c12\n\n\n","Clc1cccc2c1c(Cl)ccc2","c2cc1cccc(c1c(c2)Cl)Cl","",1,"1,8-DICHLORONAPHTHALENE(1)","2050-74-0(1)","3081","High Reliability","-"]
[265,"Clc1cc2cc(Cl)ccc2cc1\n\n\n","Clc1ccc2c(c1)cc(cc2)Cl","c1cc(cc2cc(ccc12)Cl)Cl","",1,"2,7-DICHLORONAPHTHALENE(1)","2198-77-8(1)","3122","High Reliability","-"]
[266,"Clc1cc2ccc(Cl)cc2cc1\n\n\n","Clc1ccc2c(c1)ccc(c2)Cl","c1cc(cc2ccc(cc12)Cl)Cl","",1,"2,6-DICHLORONAPHTHALENE(1)","2065-70-5(1)","3088","High Reliability","-"]
[267,"Clc1cccc2c(Cl)cccc12\n\n\n","Clc1cccc2c1cccc2Cl","c2cc1c(cccc1Cl)c(c2)Cl","",1,"1,5-DICHLORONAPHTHALENE(1)","1825-30-5(1)","2992","High Reliability","-"]
[268,"Clc1c2ccccc2c(Cl)cc1\nClc1ccc(Cl)c2ccccc12\n\n","Clc1ccc(c2c1cccc2)Cl","c1ccc2c(c1)c(ccc2Cl)Cl","",1,"1,4-DICHLORONAPHTHALENE(1)","1825-31-6(1)","2993","High Reliability","-"]
[269,"Clc1c(Cl)cc2ccccc2c1\nClc1cc2ccccc2cc1Cl\n\n","Clc1cc2ccccc2cc1Cl","c1ccc2cc(c(cc2(c1))Cl)Cl","",1,"2,3-DICHLORONAPHTHALENE(1)","2050-75-1(1)","3082","High Reliability","-"]
[270,"Clc1ccc2ccccc2c1Cl\n\n\n","Clc1ccc2c(c1Cl)cccc2","c1ccc2c(c1)ccc(c2Cl)Cl","",1,"1,2-DICHLORONAPHTHALENE(1)","2050-69-3(1)","3080","High Reliability","-"]
[271,"Clc1cc(Cl)nc(n1)-c2ccccc2\n\n\n","Clc1cc(Cl)nc(n1)c1ccccc1","n1c(nc(cc1Cl)Cl)c2ccccc2","",1,"FENCLORIM(1)","3740-92-9(1)","3426","High Reliability","-"]
[272,"Clc1c(Cl)c(=O)n(nc1)-c2ccccc2\n\n\n","Clc1cnn(c(=O)c1Cl)c1ccccc1","O=C1C(=C(C=NN1c2ccccc2)Cl)Cl","",1,"2-Phenyl-4,5-dichloro-3-pyridazinone(1)","1698-53-9(1)","2964","High Reliability","-"]
[273,"COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl\n\n\n","COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC","O=C(OC)c1c(c(c(C(=O)OC)c(c1Cl)Cl)Cl)Cl","",1,"DIMETHYL TETRACHLOROTEREPHTHALATE(1)","1861-32-1(1)","3002","High Reliability","-"]
[274,"ClC1CC2C(C1Cl)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl\n[H]C12CC(Cl)C(Cl)C1([H])C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl\nClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl\n","ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl","C2(=C(C3(C1C(CC(C1Cl)Cl)C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","",3,"CHLORDANE(1), ALPHA-CHLORDANE(1), CHLORDANE (TRANS)(1)","57-74-9(1), 5103-71-9(1), 5103-74-2(1)","137, 3561, 3562","High Reliability","Stereochemistry removed"]
[275,"Clc1cc2c(cc1)N=C([N-][N+]2=O)n3ccnc3\n[O-][n+]1nc(nc2ccc(Cl)cc12)-n3ccnc3\n\n","Clc1ccc2c(c1)[N+](=O)[N-]C(=N2)n1cncc1","O=[N+]2[N-]C(=Nc1ccc(cc12)Cl)n3cncc3","",1,"TRIAZOXIDE(1)","72459-58-6(1)","5174","High Reliability","-"]
[276,"OC(=O)c1c2ncccc2c(cc1)N(=O)=O\nOC(=O)c1ccc(c2cccnc12)[N+]([O-])=O\n\n","OC(=O)c1ccc(c2c1nccc2)[N+](=O)[O-]","O=C(O)c1ccc(c2cccnc12)[N+](=O)[O-]","",1,"8-Quinolinecarboxylic acid, 5-nitro-(1)","83848-59-3(1)","5295","Medium Reliability","-"]
[277,"[O-][N+](=O)c1cccc2cccc(c12)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-]","O=[N+]([O-])c2cccc1cccc(c12)[N+](=O)[O-]","",1,"NAPHTHALENE, 1,8-DINITRO-(1)","602-38-0(1)","2368","High Reliability","-"]
[278,"[O-][N+](=O)c1cccc2c(cccc12)[N+]([O-])=O\n[O-][N+](=O)c1cccc2c1cccc2[N+]([O-])=O\n\n","[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-]","O=[N+]([O-])c2cccc1c2(cccc1[N+](=O)[O-])","",1,"NAPHTHALENE, 1,5-DINITRO-(1)","605-71-0(1)","2381","High Reliability","-"]
[279,"Cc1cc2nc3c(sc(=O)s3)nc2cc1\nCc1ccc2nc3sc(=O)sc3nc2c1\n\n","Cc1ccc2c(c1)nc1c(n2)sc(=O)s1","O=C2Sc1nc3ccc(cc3(nc1S2))C","",1,"OXYTHIOQUINOX(1)","2439-01-2(1)","3208","High Reliability","-"]
[280,"OC(=O)c1cc2ccccc2oc1=O\n\n\n","OC(=O)c1cc2ccccc2oc1=O","O=C(O)C1=Cc2ccccc2(OC1(=O))","",1,"2H-1-Benzopyran-3-carboxylic acid, 2-oxo-(1)","531-81-7(1)","2019","High Reliability","-"]
[281,"OC(=O)c1cc2ccccc2c(=O)o1\n\n\n","OC(=O)c1cc2ccccc2c(=O)o1","O=C(O)C=1OC(=O)c2ccccc2(C=1)","",1,"1H-2-Benzopyran-3-carboxylic acid, 1-oxo-(1)","2289-03-4(1)","3158","High Reliability","-"]
[282,"OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(O)=O\n\n\n","OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O","O=C(O)c1cc(C(=O)O)c(cc1(C(=O)O))C(=O)O","",1,"PYROMELLITIC ACID(1)","89-05-4(1)","628","High Reliability","-"]
[283,"Brc1ccc2ccccc2c1\n\n\n","Brc1ccc2c(c1)cccc2","c1ccc2cc(ccc2(c1))Br","",1,"2-BROMONAPHTHALENE(1)","580-13-2(1)","2224","High Reliability","-"]
[284,"Brc1c2ccccc2ccc1\nBrc1cccc2ccccc12\n\n","Brc1cccc2c1cccc2","c1ccc2c(c1)cccc2Br","",1,"1-BROMONAPHTHALENE(1)","90-11-9(1)","649","High Reliability","-"]
[285,"Brc1cnc([nH]c1=O)-c2ccccc2\nBrc1c[nH]c(nc1=O)-c2ccccc2\n\n","O=c1[nH]c(ncc1Br)c1ccccc1","O=C1NC(=NC=C1Br)c2ccccc2","",1,"4(1H)-Pyrimidinone, 5-bromo-2-phenyl-(1)","26786-28-7(1)","4431","Medium Reliability","Checked on PubChem"]
[286,"Clc1ccc2ccccc2c1\n\n\n","Clc1ccc2c(c1)cccc2","c1ccc2cc(ccc2(c1))Cl","",1,"2-CHLORONAPHTHALENE(1)","91-58-7(1)","671","High Reliability","-"]
[287,"Clc1c2ccccc2ccc1\nClc1cccc2ccccc12\n\n","Clc1cccc2c1cccc2","c1ccc2c(c1)cccc2Cl","",1,"1-CHLORONAPHTHALENE(1)","90-13-1(1)","651","High Reliability","-"]
[288,"Fc1c2ccccc2ccc1\nFc1cccc2ccccc12\n\n","Fc1cccc2c1cccc2","Fc1cccc2ccccc12","",1,"1-FLUORONAPHTHALENE(1)","321-38-0(1)","1729","High Reliability","-"]
[289,"Ic1c2ccccc2ccc1\nIc1cccc2ccccc12\n\n","Ic1cccc2c1cccc2","c1ccc2c(c1)cccc2I","",1,"1-IODONAPHTHALENE(1)","90-14-2(1)","652","High Reliability","-"]
[290,"[nH]1c2c(cccc2)nc1-c3cscn3\n[nH]1c2ccccc2nc1-c3cscn3\n\n","c1scc(n1)c1nc2c([nH]1)cccc2","n1cscc1c2nc3ccccc3([nH]2)","",1,"THIABENDAZOLE(1)","148-79-8(1)","1617","High Reliability","-"]
[291,"OC(=O)c1c2cccnc2ccc1\nOC(=O)c1cccc2ncccc12\n\n","OC(=O)c1cccc2c1cccn2","O=C(O)c2cccc1ncccc12","",1,"5-Quinolinecarboxylic acid(1)","7250-53-5(1)","3822","High Reliability","-"]
[292,"OC(=O)c1ccc2ncccc2c1\n\n\n","OC(=O)c1ccc2c(c1)cccn2","O=C(O)c1ccc2ncccc2(c1)","",1,"6-Quinolinecarboxylic acid(1)","10349-57-2(1)","3914","High Reliability","-"]
[293,"OC(=O)c1cccc2c1nccc2\nOC(=O)c1cccc2cccnc12\n\n","OC(=O)c1cccc2c1nccc2","O=C(O)c2cccc1cccnc12","",1,"8-Quinolinecarboxylic acid(1)","86-59-9(1)","572","High Reliability","-"]
[294,"OC(=O)c1ccc2ccccc2n1\n\n\n","OC(=O)c1ccc2c(n1)cccc2","O=C(O)c1nc2ccccc2(cc1)","",1,"2-Quinolinecarboxylic acid(1)","93-10-7(1)","700","High Reliability","-"]
[295,"Oc1c2ccccc2ccc1N=O\nOc1c(ccc2ccccc12)N=O\n\n","O=Nc1ccc2c(c1O)cccc2","O=Nc1ccc2ccccc2(c1(O))","",1,"2-NITROSO-1-NAPHTHOL(1)","132-53-6(1)","1503","High Reliability","-"]
[296,"[O-][N+](=O)c1ccc2ccccc2c1\n\n\n","[O-][N+](=O)c1ccc2c(c1)cccc2","O=[N+]([O-])c1ccc2ccccc2(c1)","",1,"2-NITRONAPHTHALENE(1)","581-89-5(1)","2234","High Reliability","-"]
[297,"[O-][N+](=O)c1c2ccccc2ccc1\n[O-][N+](=O)c1cccc2ccccc12\n\n","[O-][N+](=O)c1cccc2c1cccc2","O=[N+]([O-])c2cccc1ccccc12","",1,"1-NITRONAPHTHALENE(1)","86-57-7(1)","571","High Reliability","-"]
[298,"Oc1ccc2ccccc2c1N=O\nON=C1C(=O)C=Cc2ccccc12\nOc1ccc2ccccc2c1N=O\n","O=Nc1c(O)ccc2c1cccc2","O=Nc2c(O)ccc1ccccc12","",2,"1-NITROSO-2-NAPHTHOL(1), 1,2-Naphthalenedione, 1-oxime(1)","131-91-9(1), 2636-79-5(1)","1501, 3266","High Reliability","-"]
[299,"Oc1c(c2ccccc2cc1)[N+]([O-])=O\nOc1ccc2ccccc2c1[N+]([O-])=O\n\n","[O-][N+](=O)c1c(O)ccc2c1cccc2","O=[N+]([O-])c2c(O)ccc1ccccc12","",1,"1-Nitro-2-naphthol(1)","550-60-7(1)","2124","High Reliability","-"]
[300,"c1cc2ccccc2cc1\n\n\n","c1ccc2c(c1)cccc2","c1ccc2ccccc2(c1)","",1,"NAPHTHALENE(1)","91-20-3(1)","667","High Reliability","-"]
[301,"Nc1c(Br)c(=O)n(nc1)-c2ccccc2\n\n\n","Nc1cnn(c(=O)c1Br)c1ccccc1","O=C1C(=C(N)C=NN1c2ccccc2)Br","",1,"Brompyrazone(1)","3042-84-0(1)","3318","High Reliability","-"]
[302,"Nc1c(Cl)c(=O)n(nc1)-c2ccccc2\n\n\n","Nc1cnn(c(=O)c1Cl)c1ccccc1","O=C1C(=C(N)C=NN1c2ccccc2)Cl","",1,"CHLORIDAZON(1)","1698-60-8(1)","2965","High Reliability","-"]
[303,"c1ccc(nc1)-c2cnccc2\n\n\n","c1ccc(nc1)c1cccnc1","n1cccc(c1)c2ncccc2","",1,"2,3'-BIPYRIDINE(1)","581-50-0(1)","2233","High Reliability","-"]
[304,"c1ccc(nc1)-c2ccccn2\n\n\n","c1ccc(nc1)c1ccccn1","n1ccccc1c2ncccc2","",1,"2,2-BIPYRIDINE(1)","366-18-7(1)","1756","High Reliability","-"]
[305,"c1cc(ccn1)-c2ccncc2\n\n\n","n1ccc(cc1)c1ccncc1","n1ccc(cc1)c2ccncc2","",1,"4,4'-DIPYRIDYL(1)","553-26-4(1)","2135","High Reliability","-"]
[306,"O=N(=O)Cc1nc2ccccc2cc1\n[O-][N+](=O)Cc1ccc2ccccc2n1\n\n","[O-][N+](=O)Cc1ccc2c(n1)cccc2","O=[N+]([O-])Cc1nc2ccccc2(cc1)","",1,"Quinoline, 2-(nitromethyl)-(1)","5114-78-3(1)","3564","Medium Reliability","-"]
[307,"Cc1nc2c(O)ccc(c2cc1)N(=O)=O\nCc1ccc2c(ccc(O)c2n1)[N+]([O-])=O\n\n","Cc1ccc2c(n1)c(O)ccc2[N+](=O)[O-]","O=[N+]([O-])c2ccc(O)c1nc(ccc12)C","",1,"8-Quinolinol, 2-methyl-5-nitro-(1)","38543-66-7(1)","4686","Medium Reliability","-"]
[308,"CC1=NN(C(=O)C1[N+]([O-])=O)c2ccc(cc2)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(cc1)N1N=C(C(C1=O)[N+](=O)[O-])C","O=C1N(N=C(C)C1[N+](=O)[O-])c2ccc(cc2)[N+](=O)[O-]","",1,"Picrolonic acid(1)","550-74-3(1)","2125","Medium Reliability","-"]
[309,"Oc1cc2c(cccc2)cc1\nOc1ccc2ccccc2c1\n\n","Oc1ccc2c(c1)cccc2","Oc1ccc2ccccc2(c1)","",1,"2-NAPHTHOL(1)","135-19-3(1)","1524","High Reliability","-"]
[310,"Oc1cccc2ccccc12\n\n\n","Oc1cccc2c1cccc2","Oc1cccc2ccccc12","",1,"1-NAPHTHOL(1)","90-15-3(1)","653","High Reliability","-"]
[311,"Cc1cc(=O)oc2ccccc12\n\n\n","O=c1cc(C)c2c(o1)cccc2","O=C2Oc1ccccc1C(=C2)C","",1,"2H-1-Benzopyran-2-one, 4-methyl-(1)","607-71-6(1)","2389","High Reliability","-"]
[312,"Oc1cc(O)c2ccccc2c1\n\n\n","Oc1cc2ccccc2c(c1)O","Oc1cc(O)c2ccccc2(c1)","",1,"NAPHTHALENE-1,3-DIOL(1)","132-86-5(1)","1508","High Reliability","-"]
[313,"Oc1cc2ccc(O)cc2cc1\n\n\n","Oc1ccc2c(c1)ccc(c2)O","Oc1ccc2cc(O)ccc2(c1)","",1,"2,6-NAPHTHALENEDIOL(1)","581-43-1(1)","2231","High Reliability","-"]
[314,"Oc1cccc2c(O)cccc12\n\n\n","Oc1cccc2c1cccc2O","Oc1cccc2c(O)cccc12","",1,"1,5-DIHYDROXYNAPHTHALENE(1)","83-56-7(1)","528","High Reliability","-"]
[315,"Oc1cc2c(cccc2)cc1O\nOc1cc2ccccc2cc1O\n\n","Oc1cc2ccccc2cc1O","Oc1cc2ccccc2(cc1(O))","",1,"2,3-NAPHTHALENEDIOL(1)","92-44-4(1)","685","High Reliability","-"]
[316,"COc1ccc2ccc(=O)oc2c1\n\n\n","COc1ccc2c(c1)oc(=O)cc2","O=C1Oc2cc(OC)ccc2(C=C1)","",1,"2H-1-Benzopyran-2-one, 7-methoxy-(1)","531-59-9(1)","2018","High Reliability","-"]
[317,"Cc1cc(=O)oc2c1cc(O)cc2\nCc1cc(=O)oc2ccc(O)cc12\n\n","Oc1ccc2c(c1)c(C)cc(=O)o2","O=C2Oc1ccc(O)cc1C(=C2)C","",1,"2H-1-Benzopyran-2-one, 6-hydroxy-4-methyl-(1)","2373-31-1(1)","3179","High Reliability","-"]
[318,"OS(=O)(=O)c1cc2c(cccc2)cc1\nOS(=O)(=O)c1ccc2ccccc2c1\n\n","OS(=O)(=O)c1ccc2c(c1)cccc2","O=S(=O)(O)c1ccc2ccccc2(c1)","",1,"NAPHTHALENE-2-SULFONIC ACID(1)","120-18-3(1)","1353","High Reliability","-"]
[319,"COc1c(oc2ccccc12)C(O)=O\n\n\n","COc1c(oc2c1cccc2)C(=O)O","O=C(O)c2oc1ccccc1c2(OC)","",1,"2-Benzofurancarboxylic acid, 3-methoxy-(1)","104315-56-2(1)","5487","Medium Reliability","-"]
[320,"OC(=O)C=Cc1ccc2OCOc2c1\n\n\n","OC(=O)C=Cc1ccc2c(c1)OCO2","O=C(O)C=Cc1ccc2OCOc2(c1)","",1,"3,4-(METHYLENEDIOXY)CINNAMIC ACID(1)","2373-80-0(1)","3180","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[321,"OS(=O)(=O)c1cc2c(cc1)c(ccc2)S(O)(=O)=O\n\n\n","OS(=O)(=O)c1ccc2c(c1)cccc2S(=O)(=O)O","O=S(=O)(O)c2ccc1c(cccc1S(=O)(=O)O)c2","",1,"1,6-Naphthalenedisulfonic acid(1)","525-37-1(1)","1987","High Reliability","-"]
[322,"COc1c(cc(cc1C(O)=O)C(O)=O)C(O)=O\n\n\n","COc1c(cc(cc1C(=O)O)C(=O)O)C(=O)O","O=C(O)c1cc(C(=O)O)c(OC)c(c1)C(=O)O","",1,"1,3,5-Benzenetricarboxylic acid, 2-methoxy-(1)","17445-86-2(1)","4156","Medium Reliability","-"]
[323,"COc1c(OC)c2c(COC2=O)c(Br)c1\n\n\n","COc1cc(Br)c2c(c1OC)C(=O)OC2","O=C1OCc2c1c(OC)c(OC)cc2Br","",1,"Phthalide, 4-bromo-6,7-dimethoxy-(1)","102877-24-7(1)","5477","Medium Reliability","-"]
[324,"CC(=C)C(=O)Nc1ccc(Cl)c(Cl)c1\n\n\n","CC(=C)C(=O)Nc1ccc(c(c1)Cl)Cl","O=C(Nc1ccc(c(c1)Cl)Cl)C(=C)C","",1,"DICRYL(1)","2164-09-2(1)","3114","High Reliability","-"]
[325,"CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl\n\n\n","CCOC(=O)COc1cc(Cl)c(cc1Cl)Cl","O=C(OCC)COc1cc(c(cc1Cl)Cl)Cl","",1,"2,4,5-T, ETHYL ESTER(1)","1928-39-8(1)","3033","Medium Reliability","-"]
[326,"OC(=O)CCCOc1c(Cl)cc(Cl)c(Cl)c1\n\n\n","OC(=O)CCCOc1cc(Cl)c(cc1Cl)Cl","O=C(O)CCCOc1cc(c(cc1Cl)Cl)Cl","",1,"2,4,5-TB(1)","93-80-1(1)","711","High Reliability","-"]
[327,"ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O\n\n\n","ClC(C(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl)Cl","O=C1N(C(=O)C2CC=CCC12)SC(C(Cl)Cl)(Cl)Cl","",1,"CAPTAFOL(1)","2425-06-1(1)","3199","High Reliability","-"]
[328,"COP(=O)(OC)OC(=CCl)c1c(Cl)cc(Cl)c(Cl)c1\nCOP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl\nCOP(=O)(OC)OC(=CCl)c1c(Cl)cc(Cl)c(Cl)c1\n","ClC=C(c1cc(Cl)c(cc1Cl)Cl)OP(=O)(OC)OC","O=P(OC(=CCl)c1cc(c(cc1Cl)Cl)Cl)(OC)OC","",3,"STIROFOS(1), TETRACHLORVINPHOS(1), Tetrachlorvinphos (E-isomer)(1)","961-11-5(1), 22248-79-9(1), 22350-76-1(1)","2777, 4315, 4318","High Reliability","Stereochemistry removed, Manual Check passed"]
[329,"Nc1ccc(cc1)S(=O)(=O)Nc2ccc(Cl)nn2\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)Cl","O=S(=O)(Nc1nnc(cc1)Cl)c2ccc(N)cc2","",1,"Sulfachlorpyridazine(1)","80-32-0(1)","489","High Reliability","-"]
[330,"Nc1cc2c(cccc2)cc1\nNc1ccc2ccccc2c1\n\n","Nc1ccc2c(c1)cccc2","Nc1ccc2ccccc2(c1)","",1,"2-NAPHTHYLAMINE(1)","91-59-8(1)","672","High Reliability","-"]
[331,"Nc1cccc2c1cccc2\nNc1cccc2ccccc12\n\n","Nc1cccc2c1cccc2","Nc1cccc2ccccc12","",1,"1-NAPHTHYLAMINE(1)","134-32-7(1)","1520","High Reliability","-"]
[332,"Cn1ccc(=O)c2ccccc12\n\n\n","Cn1ccc(=O)c2c1cccc2","O=C1C=CN(c2ccccc12)C","",1,"4(1H)-Quinolinone, 1-methyl-(1)","83-54-5(1)","527","High Reliability","-"]
[333,"Cn1c(=O)ccc2ccccc12\n\n\n","Cn1c(=O)ccc2c1cccc2","O=C2C=Cc1ccccc1N2C","",1,"1-METHYL-2(H)-QUINOLINONE(1)","606-43-9(1)","2386","Medium Reliability","-"]
[334,"Cc1cc(=O)c2ccccc2[nH]1\nCc1cc(O)c2ccccc2n1\n\n","Cc1cc(=O)c2c([nH]1)cccc2","O=C1C=C(Nc2ccccc12)C","",1,"4-Hydroxy-2-methylquinoline(1)","607-67-0(1)","2388","Medium Reliability","-"]
[335,"OC(=O)Cc1c[nH]c2c1cccc2\nOC(=O)Cc1c[nH]c2ccccc12\n\n","OC(=O)Cc1c[nH]c2c1cccc2","O=C(O)Cc2c[nH]c1ccccc12","",1,"INDOLE-3-ACETIC ACID(1)","87-51-4(1)","590","High Reliability","-"]
[336,"OC(=O)C=CC(O)=Nc1ccccc1\nOC(=O)C=CC(=O)Nc1ccccc1\n\n","OC(=Nc1ccccc1)C=CC(=O)O","O=C(O)C=CC(O)=Nc1ccccc1","",1,"Maleanilic acid(1)","555-59-9(1)","2149","High Reliability","Stereochemistry removed"]
[337,"C=CCOC1=NS(=O)(=O)c2ccccc12\n\n\n","C=CCOC1=NS(=O)(=O)c2c1cccc2","O=S2(=O)(N=C(OCC=C)c1ccccc12)","",1,"Probenazole(1)","27605-76-1(1)","4451","High Reliability","-"]
[338,"CC1(C)OC(=O)c2c1ccc(c2)N(=O)=O\nCC1(C)OC(=O)c2cc(ccc12)[N+]([O-])=O\n\n","O=C1OC(c2c1cc(cc2)[N+](=O)[O-])(C)C","O=C1OC(c2ccc(cc12)[N+](=O)[O-])(C)C","",1,"1(3H)-Isobenzofuranone, 3,3-dimethyl-6-nitro-(1)","99185-20-3(1)","5437","Medium Reliability","-"]
[339,"CCC1OC(=O)c2c1ccc(c2)N(=O)=O\nCCC1OC(=O)c2cc(ccc12)[N+]([O-])=O\n\n","CCC1OC(=O)c2c1ccc(c2)[N+](=O)[O-]","O=C1OC(c2ccc(cc12)[N+](=O)[O-])CC","",1,"Phthalide, 3-ethyl-6-nitro-(1)","99185-21-4(1)","5438","Medium Reliability","-"]
[340,"Nc1cc2cc(cc(c2cc1)S(O)(=O)=O)S(O)(=O)=O\nNc1ccc2c(c1)cc(cc2S(O)(=O)=O)S(O)(=O)=O\n\n","Nc1ccc2c(c1)cc(cc2S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)c2cc1cc(N)ccc1c(c2)S(=O)(=O)O","",1,"2-NAPHTHYLAMINE-5,7-DISULFONIC ACID(1)","118-33-2(1)","1318","High Reliability","-"]
[341,"Nc1cc2c(cc(cc2cc1)S(O)(=O)=O)S(O)(=O)=O\nNc1ccc2cc(cc(c2c1)S(O)(=O)=O)S(O)(=O)=O\n\n","Nc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)c2cc1ccc(N)cc1c(c2)S(=O)(=O)O","",1,"2-NAPHTHYLAMINE-6,8-DISULFONIC ACID(1)","86-65-7(1)","573","Medium Reliability","-"]
[342,"Nc1ccc(c2ccc(cc12)S(O)(=O)=O)S(O)(=O)=O\n\n\n","Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)c1ccc2c(c1)c(N)ccc2S(=O)(=O)O","",1,"1,6-NAPHTHALENEDISULFONIC ACID, 4-AMINO-(1)","85-75-6(1)","564","High Reliability","-"]
[343,"Nc1c(cc(c2c1cc(cc2)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O\nNc1c2cc(ccc2c(cc1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O\n\n","Nc1c2cc(ccc2c(cc1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)c1ccc2c(c1)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O","",1,"1,3,6-Naphthalenetrisulfonic acid, 4-amino-(1)","61986-93-4(1)","5012","Medium Reliability","-"]
[344,"OP(O)(=O)c1cccc2ccccc12\n\n\n","OP(=O)(c1cccc2c1cccc2)O","O=P(O)(O)c2cccc1ccccc12","",1,"Phosphonic acid, 1-naphthalenyl-(1)","7402-93-9(1)","3837","Medium Reliability","Checked on PubChem"]
[345,"Cc1c2ccccc2ccc1\nCc1cccc2ccccc12\n\n","Cc1cccc2c1cccc2","c1ccc2c(c1)cccc2C","",1,"1-METHYLNAPHTHALENE(1)","90-12-0(1)","650","High Reliability","-"]
[346,"Cc1cc2ccccc2cc1\nCc1ccc2ccccc2c1\n\n","Cc1ccc2c(c1)cccc2","c1ccc2cc(ccc2(c1))C","",1,"2-METHYLNAPHTHALENE(1)","91-57-6(1)","670","High Reliability","-"]
[347,"CC(OC(=O)Nc1cc(Cl)ccc1)C#C\n\n\n","C#CC(OC(=O)Nc1cccc(c1)Cl)C","O=C(OC(C#C)C)Nc1cccc(c1)Cl","",1,"CHLORBUFAM(1)","1967-16-4(1)","3052","High Reliability","-"]
[348,"CCOC(=O)Cn1c(=O)sc2cccc(Cl)c12\n\n\n","CCOC(=O)Cn1c(=O)sc2c1c(Cl)ccc2","O=C(OCC)CN2C(=O)Sc1cccc(c12)Cl","",1,"BENAZOLIN-ETHYL(1)","25059-80-7(1)","4376","High Reliability","-"]
[349,"Cc1c(Oc2cccnn2)cccc1\nCc1ccccc1Oc2cccnn2\n\n","Cc1ccccc1Oc1cccnn1","n2nc(Oc1ccccc1C)ccc2","",1,"3-(2-Methylphenoxy)pyridazine(1)","14491-59-9(1)","4037","High Reliability","-"]
[350,"COc1c2ccccc2ccc1\nCOc1cccc2ccccc12\n\n","COc1cccc2c1cccc2","O(c1cccc2ccccc12)C","",1,"NAPHTHALENE, 1-METHOXY-(1)","2216-69-5(1)","3132","High Reliability","-"]
[351,"OCc1cccc2ccccc12\n\n\n","OCc1cccc2c1cccc2","OCc2cccc1ccccc12","",1,"1-NAPHTHALENEMETHANOL(1)","4780-79-4(1)","3536","High Reliability","-"]
[352,"Cc1c(C)c(=O)c2ccccc2o1\n\n\n","Cc1oc2ccccc2c(=O)c1C","O=C1c2ccccc2(OC(=C1C)C)","",1,"4H-1-BENZOPYRAN-4-ONE, 2,3-DIMETHYL-(1)","17584-90-6(1)","4160","Medium Reliability","-"]
[353,"OC(=O)C1Cc2ccccc2C=C1\nOC(=O)C1=CCc2ccccc2C1\n\n","OC(=O)C1C=Cc2c(C1)cccc2","O=C(O)C2C=Cc1ccccc1C2","",2,"2-Naphthalenecarboxylic acid, 1,2-dihydro-(1), 2-Naphthalenecarboxylic acid, 1,4-dihydro-(1)","3408-30-8(1), 3299-82-9(1)","3379, 3365","High Reliability","Checked on PubChem, Checked on ChemID, Manual Check passed"]
[354,"OC(=O)C1=CCCc2ccccc12\n\n\n","OC(=O)C1=CCCc2c1cccc2","O=C(O)C1=CCCc2ccccc12","",1,"1-Naphthalenecarboxylic acid, 3,4-dihydro-(1)","3333-23-1(1)","3369","Medium Reliability","-"]
[355,"CC(=O)Oc1ccccc1C=CC(O)=O\n\n\n","OC(=O)C=Cc1ccccc1OC(=O)C","O=C(O)C=Cc1ccccc1(OC(=O)C)","",1,"2-Propenoic acid, 3-[2-(acetyloxy)phenyl]-, (E)-(1)","16189-10-9(1)","4097","Medium Reliability","Stereochemistry removed"]
[356,"CC(O)=NC(Cc1cc(Br)c(O)c(Br)c1)C(O)=O\nCC(=O)NC(Cc1cc(Br)c(O)c(Br)c1)C(O)=O\n\n","OC(=O)C(N=C(O)C)Cc1cc(Br)c(c(c1)Br)O","O=C(O)C(N=C(O)C)Cc1cc(c(O)c(c1)Br)Br","",1,"L-Tyrosine, N-acetyl-3,5-dibromo-(1)","10346-50-6(1)","3912","Medium Reliability","Stereochemistry removed"]
[357,"CC1COc2c(cccc2)N1C(=O)C(Cl)Cl\nCC1COc2ccccc2N1C(=O)C(Cl)Cl\n\n","CC1COc2c(N1C(=O)C(Cl)Cl)cccc2","O=C(N1c2ccccc2(OCC1C))C(Cl)Cl","",1,"BENOXACOR(1)","98730-04-2(1)","5421","High Reliability","-"]
[358,"CC(O)=NC(CSc1cc(Cl)c(Cl)cc1)C(O)=O\nCC(=O)NC(CSc1ccc(Cl)c(Cl)c1)C(O)=O\n\n","OC(=O)C(N=C(O)C)CSc1ccc(c(c1)Cl)Cl","O=C(O)C(N=C(O)C)CSc1ccc(c(c1)Cl)Cl","",1,"L-Cysteine, N-acetyl-S-(3,4-dichlorophenyl)-(1)","13443-69-1(1)","3978","High Reliability","Stereochemistry removed"]
[359,"CCOC(=O)Cc1c2cc(Cl)ccc2n[nH]1\n\n\n","CCOC(=O)Cc1[nH]nc2c1cc(Cl)cc2","O=C(OCC)Cc2[nH]nc1ccc(cc12)Cl","",1,"Ethychlozate(1)","27512-72-7(1)","4447","High Reliability","-"]
[360,"Cn1n(c(=O)c(I)c1C)-c2ccccc2\n\n\n","Ic1c(C)n(n(c1=O)c1ccccc1)C","O=C2C(=C(N(N2(c1ccccc1))C)C)I","",1,"4-IODOANTIPYRINE(1)","129-81-7(1)","1493","High Reliability","-"]
[361,"Cc1ccc2ccc(C)nc2c1\n\n\n","Cc1ccc2c(c1)nc(cc2)C","n1c2cc(ccc2(ccc1C))C","",1,"Quinoline, 2,7-dimethyl-(1)","93-37-8(1)","703","High Reliability","-"]
[362,"Cc1cc(C)c2ccccc2n1\n\n\n","Cc1cc(C)c2c(n1)cccc2","n2c1ccccc1c(cc2C)C","",1,"2,4-DIMETHYLQUINOLINE(1)","1198-37-4(1)","2870","High Reliability","-"]
[363,"Cn1c2ccccc2c(C(O)=N)c1C(O)=N\n\n\n","OC(=N)c1c(C(=N)O)c2c(n1C)cccc2","N=C(O)c2c1ccccc1n(c2(C(=N)O))C","",1,"1H-Indole-2,3-dicarboxamide, 1-methyl-(1)","51072-90-3(1)","4796","Medium Reliability","-"]
[364,"Nc1ccc(cc1)S(=O)(=O)c2ncc(N)cc2\n\n\n","Nc1ccc(cc1)S(=O)(=O)c1ccc(cn1)N","O=S(=O)(c1ncc(N)cc1)c2ccc(N)cc2","",1,"3-Pyridinamine, 6-[(4-aminophenyl)sulfonyl]-(1)","5401-26-3(1)","3600","High Reliability","-"]
[365,"Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1","O=S(=O)(Nc1ncccc1)c2ccc(N)cc2","",1,"SULFAPYRIDINE(1)","144-83-2(1)","1605","High Reliability","-"]
[366,"O=C1CCc2c3N1CCc3ccc2\n\n\n","O=C1CCc2c3N1CCc3ccc2","O=C3N2c1c(cccc1CC2)CC3","",1,"PYROQUILON(1)","57369-32-1(1)","4945","High Reliability","-"]
[367,"CC(=O)Oc1ccccc1C(=O)OCC(O)=N\n\n\n","OC(=N)COC(=O)c1ccccc1OC(=O)C","O=C(OCC(=N)O)c1ccccc1(OC(=O)C)","",1,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-AMINO-2-OXOETHYL(1)","50785-22-3(1)","4790","Medium Reliability","Checked on PubChem"]
[368,"CC(C)OC(=O)c1c(cccc1N(=O)=O)C(O)=O\nCC(C)OC(=O)c1c(cccc1[N+]([O-])=O)C([O-])=O\n\n","CC(OC(=O)c1c(cccc1[N+](=O)[O-])C(=O)O)C","O=C(O)c1cccc(c1(C(=O)OC(C)C))[N+](=O)[O-]","",1,"Phthalic acid, 3-nitro-, 2-isopropyl ester(1)","6744-87-2(1)","3777","Medium Reliability","-"]
[369,"OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+]([O-])=O\n\n\n","OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl","O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)Cl","",1,"CHLORAMPHENICOL(1)","56-75-7(1)","106","High Reliability","Stereochemistry removed"]
[370,"CCCOC(=O)COc1ccc(Cl)cc1Cl\n\n\n","CCCOC(=O)COc1ccc(cc1Cl)Cl","O=C(OCCC)COc1ccc(cc1Cl)Cl","",1,"2,4-D, PROPYL ESTER(1)","1928-61-6(1)","3035","Medium Reliability","-"]
[371,"CC(C)OC(=O)COc1c(Cl)cc(Cl)cc1\n\n\n","CC(OC(=O)COc1ccc(cc1Cl)Cl)C","O=C(OC(C)C)COc1ccc(cc1Cl)Cl","",1,"2,4-D, ISOPROPYL ESTER(1)","94-11-1(1)","717","High Reliability","-"]
[372,"CN1C(c2ccc(Cl)cc2)S(=O)(=O)CCC1=O\n\n\n","CN1C(=O)CCS(=O)(=O)C1c1ccc(cc1)Cl","O=C2N(C)C(c1ccc(cc1)Cl)S(=O)(=O)CC2","",1,"Chlormezanone(1)","80-77-3(1)","502","High Reliability","-"]
[373,"CC(=O)NC(CSc1ccc(Cl)cc1)C(O)=O\n\n\n","OC(=O)C(NC(=O)C)CSc1ccc(cc1)Cl","O=C(O)C(NC(=O)C)CSc1ccc(cc1)Cl","",1,"L-cystein, N-acetyl-S-(4-chlorophenyl)-(1)","21462-48-6(1)","4294","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[374,"CCC(Cc1c(I)cc(I)c(N)c1I)C(O)=O\n\n\n","CCC(C(=O)O)Cc1c(I)cc(c(c1I)N)I","O=C(O)C(Cc1c(cc(c(N)c1I)I)I)CC","",1,"Iopanoic acid(1)","96-83-3(1)","785","High Reliability","-"]
[375,"CCCc1c2cccc(O)c2ncn1\nCCCc1ncnc2c(O)cccc12\n\n","CCCc1ncnc2c1cccc2O","Oc2cccc1c2(ncnc1CCC)","",1,"8-Quinazolinol, 4-propyl-(1)","100060-07-9(1)","5446","Medium Reliability","-"]
[376,"Cn1n(c(=O)cc1C)-c2ccccc2\n\n\n","O=c1cc(n(n1c1ccccc1)C)C","O=C1C=C(N(N1c2ccccc2)C)C","",1,"ANTIPYRINE(1)","60-80-0(1)","193","High Reliability","-"]
[377,"CCC1(N=C(O)N=C1O)c2ccccc2\nCCC1(NC(=O)NC1=O)c2ccccc2\n\n","CCC1(N=C(N=C1O)O)c1ccccc1","OC=1N=C(O)C(N=1)(c2ccccc2)CC","",1,"2,4-IMIDAZOLIDINEDIONE, 5-ETHYL-5-PHENYL-(1)","631-07-2(1)","2574","High Reliability","-"]
[378,"NC(Cc1c[nH]c2ccccc12)C(O)=O\n\n\n","OC(=O)C(Cc1c[nH]c2c1cccc2)N","O=C(O)C(N)Cc2c[nH]c1ccccc12","",1,"TRYPTOPHAN(1)","73-22-3(1)","299","High Reliability","Stereochemistry removed"]
[379,"NC(Cc1c[nH]c2ccc(O)cc12)C(O)=O\n\n\n","OC(=O)C(Cc1c[nH]c2c1cc(O)cc2)N","O=C(O)C(N)Cc2c[nH]c1ccc(O)cc12","",1,"TRYPTOPHAN, 5-HYDROXY-(1)","56-69-9(1)","104","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[380,"Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1\n\n\n","Cc1cnc(nc1)NS(=O)(=O)c1ccc(cc1)N","O=S(=O)(Nc1ncc(cn1)C)c2ccc(N)cc2","",1,"SULFAPERINE(1)","599-88-2(1)","2359","High Reliability","-"]
[381,"Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1nccc(n1)C","O=S(=O)(Nc1nccc(n1)C)c2ccc(N)cc2","",1,"SULFAMERAZINE(1)","127-79-7(1)","1481","High Reliability","-"]
[382,"COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1\n\n\n","COc1ccc(nn1)NS(=O)(=O)c1ccc(cc1)N","O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2","",1,"SULFAMETHOXYPYRIDAZINE(1)","80-35-3(1)","491","High Reliability","-"]
[383,"COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1\n\n\n","COc1cnc(nc1)NS(=O)(=O)c1ccc(cc1)N","O=S(=O)(Nc1ncc(OC)cn1)c2ccc(N)cc2","",1,"SULFAMETER(1)","651-06-9(1)","2619","High Reliability","-"]
[384,"COP(=S)(OC)SCN1C(=O)c2c(cccc2)C1=O\nCOP(=S)(OC)SCN1C(=O)c2ccccc2C1=O\n\n","COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC","O=C1c2ccccc2(C(=O)N1CSP(OC)(OC)=S)","",1,"PHOSMET(1)","732-11-6(1)","2662","High Reliability","-"]
[385,"CCOC(=O)C=Cc1ccccc1\n\n\n","CCOC(=O)C=Cc1ccccc1","O=C(OCC)C=Cc1ccccc1","",1,"CINNAMIC ACID, ETHYL ESTER(1)","103-36-6(1)","931","High Reliability","Stereochemistry removed"]
[386,"CCOc1ccccc1C=CC([O-])=O\nCCOc1ccccc1C=CC(O)=O\nCCOc1ccccc1C=CC(O)=O\n","CCOc1ccccc1C=CC(=O)O","O=C(O)C=Cc1ccccc1(OCC)","",2,"2-Propenoic acid, 3-(2-ethoxyphenyl)-, (E)-(1), 2-Propenoic acid, 3-(2-ethoxyphenyl)-, (Z)-(1)","59923-03-4(1), 38624-46-3(1)","4977, 4690","Medium Reliability","Stereochemistry removed, Manual Check passed"]
[387,"COc1c(OC(C)=O)ccc(CC(O)=O)c1\n\n\n","COc1cc(ccc1OC(=O)C)CC(=O)O","O=C(O)Cc1ccc(OC(=O)C)c(OC)c1","",1,"Benzeneacetic acid, 4-(acetyloxy)-3-methoxy-(1)","5447-38-1(1)","3614","High Reliability","-"]
[388,"CC1(C)OC(CN1C(=O)C(Cl)Cl)c2ccco2\n\n\n","O=C(N1CC(OC1(C)C)c1ccco1)C(Cl)Cl","O=C(N1CC(OC1(C)C)c2occc2)C(Cl)Cl","",1,"Furilazole(1)","121776-33-8(1)","5642","Medium Reliability","-"]
[389,"CCSC(=O)COc1c(C)cc(Cl)cc1\n\n\n","CCSC(=O)COc1ccc(cc1C)Cl","O=C(COc1ccc(cc1C)Cl)SCC","",1,"MCPA-thioethyl(1)","25319-90-8(1)","4390","High Reliability","-"]
[390,"Cc1c(OCCCC(O)=O)ccc(Cl)c1\n\n\n","OC(=O)CCCOc1ccc(cc1C)Cl","O=C(O)CCCOc1ccc(cc1C)Cl","",1,"MCPB(1)","94-81-5(1)","733","High Reliability","-"]
[391,"CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C\n\n\n","CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(cc1C)C","O=C(Nc1cc(NS(=O)(=O)C(F)(F)F)c(cc1C)C)C","",1,"MEFLUIDIDE(1)","53780-34-0(1)","4877","High Reliability","-"]
[392,"CCN(CC)c1c(cc(c(N)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O\n\n\n","CCN(c1c(cc(c(c1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-])CC","O=[N+]([O-])c1cc(c(N)c(c1N(CC)CC)[N+](=O)[O-])C(F)(F)F","",1,"DINITRAMINE(1)","29091-05-2(1)","4472","High Reliability","-"]
[393,"CCCCOC(=O)c1cc(I)c(O)cc1\n\n\n","CCCCOC(=O)c1ccc(c(c1)I)O","O=C(OCCCC)c1ccc(O)c(c1)I","",1,"Benzoic acid, 4-hydroxy-3-iodo-, butyl ester(1)","15126-09-7(1)","4059","Medium Reliability","-"]
[394,"Cc1nn(c(N)c1C)-c2ccccc2\n\n\n","Cc1nn(c(c1C)N)c1ccccc1","n1c(c(c(N)n1c2ccccc2)C)C","",1,"1H-Pyrazol-5-amine, 3,4-dimethyl-1-phenyl-(1)","51143-42-1(1)","4801","Medium Reliability","-"]
[395,"Cn1n(c(=O)c(N)c1C)-c2ccccc2\n\n\n","Nc1c(C)n(n(c1=O)c1ccccc1)C","O=C1C(N)=C(N(N1c2ccccc2)C)C","",1,"Ampyrone(1)","83-07-8(1)","519","Medium Reliability","-"]
[396,"Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C","O=S(=O)(Nc1onc(c1C)C)c2ccc(N)cc2","",1,"SULFISOXAZOLE(1)","127-69-5(1)","1476","High Reliability","-"]
[397,"Cc1c(C)nc(NS(=O)(=O)c2ccc(N)cc2)o1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1oc(c(n1)C)C","O=S(=O)(Nc1nc(c(o1)C)C)c2ccc(N)cc2","",1,"Sulfamoxole(1)","729-99-7(1)","2660","High Reliability","-"]
[398,"OCC(NC(=O)CN=[N+]=[N-])C(O)c1ccc(cc1)[N+]([O-])=O\n\n\n","OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)CN=[N+]=[N-]","[N-]=[N+]=NCC(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-]","",1,"Azidamfenicol(1)","13838-08-9(1)","3999","Medium Reliability","Stereochemistry removed"]
[399,"CC1CCC(=O)N1c2ccccc2\n\n\n","CC1CCC(=O)N1c1ccccc1","O=C2N(c1ccccc1)C(C)CC2","",1,"2-Pyrrolidinone, 5-methyl-1-phenyl-(1)","6724-71-6(1)","3773","High Reliability","-"]
[400,"CN(C)C(=O)COC(=O)c1ccccc1\n\n\n","CN(C(=O)COC(=O)c1ccccc1)C","O=C(OCC(=O)N(C)C)c1ccccc1","",1,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-DIMETHYL-(1)","106231-54-3(1)","5506","Medium Reliability","-"]
[401,"CCNC(=O)COC(=O)c1ccccc1\n\n\n","CCNC(=O)COC(=O)c1ccccc1","O=C(OCC(=O)NCC)c1ccccc1","",1,"ACETAMIDE, 2-(BENZOYLOXY)-N-ETHYL-(1)","64649-57-6(1)","5042","Medium Reliability","-"]
[402,"OC(=O)CCCNC(=O)c1ccccc1\n\n\n","O=C(c1ccccc1)NCCCC(=O)O","O=C(O)CCCNC(=O)c1ccccc1","",1,"Butanoic acid, 4-(benzoylamino)-(1)","35340-63-7(1)","4610","High Reliability","-"]
[403,"Oc1ccccc1C(=O)N2CCOCC2\n\n\n","Oc1ccccc1C(=O)N1CCOCC1","O=C(c1ccccc1(O))N2CCOCC2","",1,"MORPHOLINE, 4-(2-HYDROXYBENZOYL)-(1)","3202-84-4(1)","3348","Medium Reliability","-"]
[404,"CNC(=O)Oc1cccc2c1OC(C)(C)O2\n\n\n","CNC(=O)Oc1cccc2c1OC(O2)(C)C","O=C(Oc1cccc2OC(Oc12)(C)C)NC","",1,"BENDIOCARB(1)","22781-23-3(1)","4327","High Reliability","-"]
[405,"CN(C)C(=O)COC(=O)c1ccccc1O\n\n\n","O=C(N(C)C)COC(=O)c1ccccc1O","O=C(OCC(=O)N(C)C)c1ccccc1(O)","",1,"BENZOIC ACID, 2-HYDROXY-, 2-(DIMETHYLAMINO)-2-OX(1)","114665-08-6(1)","5582","Medium Reliability","Checked on PubChem"]
[406,"CNC(=O)Oc1c(cccc1)C2OCCO2\nCNC(=O)Oc1ccccc1C2OCCO2\n\n","CNC(=O)Oc1ccccc1C1OCCO1","O=C(Oc1ccccc1C2OCCO2)NC","",1,"DIOXACARB(1)","6988-21-2(1)","3805","High Reliability","-"]
[407,"CCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O\n\n\n","CCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","O=C(Oc1ccc(cc1)[N+](=O)[O-])CCCC","",1,"Pentanoic acid, 4-nitrophenyl ester(1)","1956-07-6(1)","3047","Medium Reliability","-"]
[408,"CC(C)CC(=O)Oc1ccc(cc1)N(=O)=O\nCC(C)CC(=O)Oc1ccc(cc1)[N+]([O-])=O\n\n","CC(CC(=O)Oc1ccc(cc1)[N+](=O)[O-])C","O=C(Oc1ccc(cc1)[N+](=O)[O-])CC(C)C","",1,"Butanoic acid, 3-methyl-, 4-nitrophenyl ester(1)","18934-77-5(1)","4213","Medium Reliability","-"]
[409,"CC(C)N(C(=O)CCl)c1ccccc1\n\n\n","ClCC(=O)N(c1ccccc1)C(C)C","O=C(N(c1ccccc1)C(C)C)CCl","",1,"PROPACHLOR(1)","1918-16-7(1)","3029","High Reliability","-"]
[410,"CNC(=O)Oc1c(OC(CCl)OC)cccc1\n\n\n","CNC(=O)Oc1ccccc1OC(CCl)OC","O=C(Oc1ccccc1(OC(OC)CCl))NC","",1,"Cloethocarb(1)","51487-69-5(1)","4814","High Reliability","-"]
[411,"O=c1cccc2C3CNCC(C3)Cn12\n\n\n","O=c1cccc2n1CC1CNCC2C1","O=C1C=CC=C2N1CC3CNCC2C3","",1,"CYTISINE(1)","485-35-8(1)","1859","Medium Reliability","Stereochemistry removed"]
[412,"CC(C)(N=C(O)c1ccccc1)C(O)=N\nCC(C)(NC(=O)c1ccccc1)C(N)=O\n\n","OC(=NC(C(=N)O)(C)C)c1ccccc1","N=C(O)C(N=C(O)c1ccccc1)(C)C","",1,"Benzamide, N-(2-amino-1,1-dimethyl-2-oxoethyl)-(1)","54016-23-8(1)","4886","High Reliability","-"]
[413,"CC(=O)NC(NC(C)=O)c1ccccc1\n\n\n","CC(=O)NC(c1ccccc1)NC(=O)C","O=C(NC(NC(=O)C)c1ccccc1)C","",1,"Acetamide, N,N'-(phenylmethylene)bis-(1)","6907-68-2(1)","3794","High Reliability","-"]
[414,"CC(C)(C)C(=O)OCn1ncc2c1ncnc2O\n\n\n","O=C(C(C)(C)C)OCn1ncc2c1ncnc2O","O=C(OCn2ncc1c(O)ncnc12)C(C)(C)C","",1,"ALLOPURINOL,1-[PIVALOYLOXYMETHYL]-(1)","98827-18-0(1)","5425","Medium Reliability","Checked on PubChem"]
[415,"Nc1ncnc2n(ccc12)C3OC(CO)C(O)C3O\n\n\n","OCC1OC(C(C1O)O)n1ccc2c1ncnc2N","OCC3OC(n2ccc1c(ncnc12)N)C(O)C3(O)","",1,"TUBERCIDIN(1)","69-33-0(1)","266","High Reliability","Checked on PubChem, Checked on ChemID"]
[416,"CC(C)(C)c1ccc(cc1)C(O)=O\n\n\n","OC(=O)c1ccc(cc1)C(C)(C)C","O=C(O)c1ccc(cc1)C(C)(C)C","",1,"BENZOIC ACID, 4-(TERT-BUTYL)-(1)","98-73-7(1)","822","High Reliability","-"]
[417,"CCOC(=O)CCc1ccccc1\n\n\n","CCOC(=O)CCc1ccccc1","O=C(OCC)CCc1ccccc1","",1,"ETHYL B-PHENYLPROPIONATE(1)","2021-28-5(1)","3068","Medium Reliability","-"]
[418,"CCCCOC(=O)c1ccccc1\n\n\n","CCCCOC(=O)c1ccccc1","O=C(OCCCC)c1ccccc1","",1,"BUTYL BENZOATE(1)","136-60-7(1)","1528","High Reliability","-"]
[419,"COc1ccc(CC=C)cc1OC\n\n\n","C=CCc1ccc(c(c1)OC)OC","O(c1ccc(cc1(OC))CC=C)C","",1,"METHYLEUGENOL(1)","93-15-2(1)","702","High Reliability","-"]
[420,"OC(=O)CCCCc1ccccc1\n\n\n","OC(=O)CCCCc1ccccc1","O=C(O)CCCCc1ccccc1","",1,"5-PHENYLPENTANOIC ACID(1)","2270-20-4(1)","3150","High Reliability","-"]
[421,"CCCCOC(=O)c1ccc(O)cc1\n\n\n","CCCCOC(=O)c1ccc(cc1)O","O=C(OCCCC)c1ccc(O)cc1","",1,"p-hydroxybutylbenzoate(1)","94-26-8(1)","725","Medium Reliability","Name verified in PubChem"]
[422,"CC(C)c1c(O)c(C(O)=O)c(C)cc1\nCC(C)c1ccc(C)c(C(O)=O)c1O\n\n","CC(c1ccc(c(c1O)C(=O)O)C)C","O=C(O)c1c(O)c(ccc1C)C(C)C","",1,"o-Thymotic acid(1)","548-51-6(1)","2119","High Reliability","-"]
[423,"COC(=O)C1C2CC(C=C2)C1C(=O)OC\n\n\n","COC(=O)C1C2C=CC(C1C(=O)OC)C2","O=C(OC)C2C1C=CC(C1)C2(C(=O)OC)","",2,"DIMALONE(1), 5-norbornene-2,3-dicarboxylicacid,dimethylest(1)","39589-98-5(1), 5826-73-3(1)","4717, 3667","Medium Reliability","Stereochemistry removed, Manual Check passed"]
[424,"CCCSP(=O)(OCC)Oc1c(Cl)cc(Br)cc1\n\n\n","CCCSP(=O)(Oc1ccc(cc1Cl)Br)OCC","O=P(Oc1ccc(cc1Cl)Br)(OCC)SCCC","",1,"PROFENOFOS(1)","41198-08-7(1)","4738","High Reliability","-"]
[425,"CCCSP(=S)(OCC)Oc1c(Cl)cc(Cl)cc1\n\n\n","CCCSP(=S)(Oc1ccc(cc1Cl)Cl)OCC","O(c1ccc(cc1Cl)Cl)P(OCC)(=S)SCCC","",1,"PROTHIOPHOS(1)","34643-46-4(1)","4593","High Reliability","-"]
[426,"CCN(Cc1ccc(Cl)nc1)C(NC)=C[N+]([O-])=O\n\n\n","CCN(C(=C[N+](=O)[O-])NC)Cc1ccc(nc1)Cl","O=[N+]([O-])C=C(NC)N(Cc1cnc(cc1)Cl)CC","",1,"NITENPYRAM(1)","120738-89-8(1)","5638","Medium Reliability","Stereochemistry removed"]
[427,"CNC(=O)Oc1cccc(c1)N=CN(C)C\n[H+].[Cl-].CNC(=O)Oc1cccc(c1)N=CN(C)C\nCl.CNC(=O)Oc1cccc(c1)N=CN(C)C\n[H+].[Cl-].CNC(=O)Oc1cccc(c1)N=CN(C)C","CNC(=O)Oc1cccc(c1)N=CN(C)C","O=C(Oc1cccc(N=CN(C)C)c1)NC","",2,"FORMETANATE(1), FORMETANATE HYDROCHLORIDE(1)","22259-30-9(1), 23422-53-9(1)","4316, 4341","High Reliability","Differences in counterions"]
[428,"OC(=O)CCC(N(CCC#N)CCC#N)C(O)=O\n\n\n","N#CCCN(C(C(=O)O)CCC(=O)O)CCC#N","N#CCCN(CCC#N)C(C(=O)O)CCC(=O)O","",1,"L-Glutamic acid, N,N-bis(2-cyanoethyl)-(1)","5464-39-1(1)","3621","High Reliability","Stereochemistry removed"]
[429,"Nc1c2ncn(c2ncn1)C3(CO)OC(CO)C(O)C3O\nNc1ncnc2n(cnc12)C3(CO)OC(CO)C(O)C3O\n\n","OCC1OC(C(C1O)O)(CO)n1cnc2c1ncnc2N","OCC3OC(n2cnc1c(ncnc12)N)(CO)C(O)C3(O)","",1,"PSICOFURANINE(1)","1874-54-0(1)","3008","High Reliability","Stereochemistry removed"]
[430,"CCCCCOC(=O)c1cnccc1\n\n\n","CCCCCOC(=O)c1cccnc1","O=C(OCCCCC)c1cnccc1","",1,"3-Pyridinecarboxylic acid, pentyl ester(1)","49558-04-5(1)","4774","High Reliability","-"]
[431,"CCCOc1ccc(NC(C)=O)cc1\n\n\n","CCCOc1ccc(cc1)NC(=O)C","O=C(Nc1ccc(OCCC)cc1)C","",1,"Acetamide, N-(4-propoxyphenyl)-(1)","20367-32-2(1)","4259","High Reliability","-"]
[432,"CCOc1ccc(N=C(C)O)c(C)c1\nCCOc1ccc(NC(C)=O)c(C)c1\n\n","CCOc1ccc(c(c1)C)N=C(O)C","OC(=Nc1ccc(OCC)cc1C)C","",1,"Acetamide, N-(4-ethoxy-2-methylphenyl)-(1)","41570-59-6(1)","4753","Medium Reliability","-"]
[433,"CNC(=O)Oc1cc(C)cc(C)c1C\n\n\n","CNC(=O)Oc1cc(C)cc(c1C)C","O=C(Oc1cc(cc(c1C)C)C)NC","",1,"Landrin(1)","12407-86-2(1)","3941","High Reliability","Checked on PubChem, Checked on ChemID"]
[434,"CC(C)COC(=O)c1ccc(N)cc1\n\n\n","CC(COC(=O)c1ccc(cc1)N)C","O=C(OCC(C)C)c1ccc(N)cc1","",1,"Benzoic acid, 4-amino-, 2-methylpropyl ester(1)","94-14-4(1)","720","High Reliability","-"]
[435,"CNC(=O)Oc1c(cccc1)C(C)C\nCNC(=O)Oc1ccccc1C(C)C\n\n","CNC(=O)Oc1ccccc1C(C)C","O=C(Oc1ccccc1C(C)C)NC","",1,"ISOPROCARB(1)","2631-40-5(1)","3261","High Reliability","-"]
[436,"CCSCc1c(OC(=O)NC)cccc1\n\n\n","CCSCc1ccccc1OC(=O)NC","O=C(Oc1ccccc1CSCC)NC","",1,"ETHIOFENCARB(1)","29973-13-5(1)","4496","High Reliability","-"]
[437,"CNC(=O)Oc1cc(C)c(SC)c(C)c1\n\n\n","CNC(=O)Oc1cc(C)c(c(c1)C)SC","O=C(Oc1cc(c(c(c1)C)SC)C)NC","",1,"METHIOCARB(1)","2032-65-7(1)","3071","High Reliability","-"]
[438,"O=S(=O)(N1CCCCC1)c2ccccc2\n\n\n","O=S(=O)(c1ccccc1)N1CCCCC1","O=S(=O)(c1ccccc1)N2CCCCC2","",1,"Piperidine, 1-(phenylsulfonyl)-(1)","5033-23-8(1)","3558","High Reliability","-"]
[439,"CCC(O)(COC(N)=O)c1ccccc1\n\n\n","CCC(c1ccccc1)(COC(=O)N)O","O=C(OCC(O)(c1ccccc1)CC)N","",1,"HYDROXYPHENAMATE(1)","50-19-1(1)","9","High Reliability","Checked on PubChem, Checked on ChemID"]
[440,"CNC(=O)Oc1ccccc1OC(C)C\n\n\n","CNC(=O)Oc1ccccc1OC(C)C","O=C(Oc1ccccc1(OC(C)C))NC","",1,"PROPOXUR(1)","114-26-1(1)","1269","Medium Reliability","-"]
[441,"CCCCCc1ccccc1\n\n\n","CCCCCc1ccccc1","c1ccc(cc1)CCCCC","",1,"PENTYLBENZENE(1)","538-68-1(1)","2053","High Reliability","-"]
[442,"CCC(C)(C)c1ccccc1\n\n\n","CCC(c1ccccc1)(C)C","c1ccc(cc1)C(C)(C)CC","",1,"Benzene, (1,1-dimethylpropyl)-(1)","2049-95-8(1)","3075","High Reliability","-"]
[443,"Cc1cc(C)c(C)c(C)c1C\n\n\n","Cc1cc(C)c(c(c1C)C)C","c1c(c(c(c(c1C)C)C)C)C","",1,"PENTAMETHYLBENZENE(1)","700-12-9(1)","2646","High Reliability","-"]
[444,"CCOP(=S)(OCC)SCSc1ccc(Cl)cc1\n\n\n","CCOP(=S)(OCC)SCSc1ccc(cc1)Cl","O(CC)P(OCC)(=S)SCSc1ccc(cc1)Cl","",1,"CARBOPHENTHION(1)","786-19-6(1)","2689","Medium Reliability","-"]
[445,"CCCCN(C(O)=N)c1ccccc1\n\n\n","CCCCN(c1ccccc1)C(=N)O","N=C(O)N(c1ccccc1)CCCC","",1,"Urea, N-butyl-N-phenyl(1)","62641-29-6(1)","5016","Medium Reliability","-"]
[446,"CNC(=O)Oc1cc(C)c(cc1)N(C)C\nCNC(=O)Oc1ccc(N(C)C)c(C)c1\n\n","CNC(=O)Oc1ccc(c(c1)C)N(C)C","O=C(Oc1ccc(c(c1)C)N(C)C)NC","",1,"AMINOCARB(1)","2032-59-9(1)","3070","High Reliability","-"]
[447,"CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O\n\n\n","C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC=C)CC(C)C","",1,"Butalbital(1)","77-26-9(1)","413","High Reliability","-"]
[448,"CCCCNC(=O)NS(=O)(=O)c1ccccc1\n\n\n","CCCCNC(=O)NS(=O)(=O)c1ccccc1","O=C(NCCCC)NS(=O)(=O)c1ccccc1","",1,"Phenbutamide(1)","3149-00-6(1)","3339","High Reliability","-"]
[449,"CCCCn1c(=O)n(C)c2c(n(C)cn2)c1=O\n\n\n","CCCCn1c(=O)c2n(C)cnc2n(c1=O)C","O=C2c1c(ncn1C)N(C(=O)N2CCCC)C","",1,"1-Butyl Theobromine(1)","1143-30-2(1)","2853","Medium Reliability","-"]
[450,"CCCCCN(N=Cc1ccc(o1)N(=O)=O)C(O)=N\nCCCCCN(N=Cc1oc(cc1)[N+]([O-])=O)C(N)=O\n\n","[O-][N+](=O)c1ccc(o1)C=NN(C(=N)O)CCCCC","O=[N+]([O-])c1oc(C=NN(C(=N)O)CCCCC)cc1","",1,"2-Furaldehyde, 5-nitro-, 2-pentylsemicarbazone(1)","20049-93-8(1)","4248","Medium Reliability","-"]
[451,"CCC(C)(C)c1ccc(O)cc1\n\n\n","CCC(c1ccc(cc1)O)(C)C","Oc1ccc(cc1)C(C)(C)CC","",1,"P-TERT-AMYLPHENOL(1)","80-46-6(1)","493","High Reliability","-"]
[452,"CC(C)c1ccc(CCO)cc1\n\n\n","OCCc1ccc(cc1)C(C)C","OCCc1ccc(cc1)C(C)C","",1,"Benzeneethanol, 4-(1-methylethyl)-(1)","10099-57-7(1)","3900","High Reliability","-"]
[453,"CCCCCc1c(O)cc(O)cc1\n\n\n","CCCCCc1ccc(cc1O)O","Oc1ccc(c(O)c1)CCCCC","",1,"1,3-Benzenediol, 4-pentyl-(1)","533-24-4(1)","2025","High Reliability","-"]
[454,"CCC(C)(O)C(O)c1ccccc1\n\n\n","CCC(C(c1ccccc1)O)(O)C","OC(c1ccccc1)C(O)(C)CC","",1,"1,2-Butanediol, 2-methyl-1-phenyl-(1)","19757-53-0(1)","4236","Medium Reliability","-"]
[455,"CSCCC(N(CCC#N)CCC#N)C(O)=O\n\n\n","CSCCC(N(CCC#N)CCC#N)C(=O)O","N#CCCN(CCC#N)C(C(=O)O)CCSC","",1,"DL-Methionine, N,N-bis(2-cyanoethyl)-(1)","5464-40-4(1)","3622","Medium Reliability","Checked on PubChem"]
[456,"CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1\n\n\n","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N","O=C(NCCCC)NS(=O)(=O)c1ccc(N)cc1","",1,"CARBUTAMIDE(1)","339-43-5(1)","1744","High Reliability","-"]
[457,"CN(CCO)c1nc2c(n1C)c(=O)n(C)c(=O)n2C\n\n\n","OCCN(c1nc2c(n1C)c(=O)n(c(=O)n2C)C)C","O=C2c1c(nc(n1C)N(C)CCO)N(C(=O)N2C)C","",1,"Cafaminol(1)","30924-31-3(1)","4516","High Reliability","-"]
[458,"Cc1ccc(cc1)N(CCO)CCO\n\n\n","OCCN(c1ccc(cc1)C)CCO","OCCN(c1ccc(cc1)C)CCO","",1,"ETHANOL, 2,2'- (4-METHYLPHENYL)IMINO BIS-(1)","3077-12-1(1)","3326","Medium Reliability","-"]
[459,"CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1\n\n\n","O=C1C=C(OC(=O)N(C)C)CC(C1)(C)C","O=C(OC1=CC(=O)CC(C)(C)C1)N(C)C","",1,"DIMETAN(1)","122-15-6(1)","1388","High Reliability","-"]
[460,"NS(=O)(=O)c1ccc(SCCCCCO)cc1\n\n\n","OCCCCCSc1ccc(cc1)S(=O)(=O)N","O=S(=O)(N)c1ccc(cc1)SCCCCCO","",1,"BENZENESULFONAMIDE, 4-[(5-HYDROXYPENTYL)THIO]-(1)","108966-54-7(1)","5538","Medium Reliability","-"]
[461,"CCOP(=O)(OCC)SCc1ccccc1\n\n\n","CCOP(=O)(OCC)SCc1ccccc1","O=P(OCC)(OCC)SCc1ccccc1","",1,"Kitazine(1)","13286-32-3(1)","3966","Medium Reliability","-"]
[462,"CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O\n\n\n","CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC","O=S(c1ccc(OP(OCC)(OCC)=S)cc1)C","",1,"FENSULFOTHION(1)","115-90-2(1)","1292","High Reliability","-"]
[463,"CCOP(=S)(OCC)Oc1ccc(cc1)S(C)(=O)=O\n\n\n","CCOP(=S)(Oc1ccc(cc1)S(=O)(=O)C)OCC","O=S(=O)(c1ccc(OP(OCC)(OCC)=S)cc1)C","",1,"FENSULFOTHION SULFONE(1)","14255-72-2(1)","4021","High Reliability","-"]
[464,"CCC1(CCC(C)C)C(=O)NC(=O)NC1=O\n\n\n","CCC1(CCC(C)C)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC)CCC(C)C","",1,"AMOBARBITAL(1)","57-43-2(1)","126","High Reliability","-"]
[465,"CCCC(C)C1(CC)C(=O)NC(O)=NC1=O\nCCCC(C)C1(CC)C(=O)NC(=O)NC1=O\n\n","CCCC(C1(CC)C(=O)NC(=NC1=O)O)C","O=C1N=C(O)NC(=O)C1(CC)C(C)CCC","",1,"PENTOBARBITAL(1)","76-74-4(1)","402","High Reliability","-"]
[466,"CN(C)C(=O)Oc1c(C)c(C)nc(n1)N(C)C\nCN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C\n\n","CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C","O=C(Oc1nc(nc(c1C)C)N(C)C)N(C)C","",1,"PIRIMICARB(1)","23103-98-2(1)","4336","High Reliability","-"]
[467,"[H]C12CCC(C)(C(=O)C1CO)C2(C)C\nCC1(C)C2CCC1(C)C(=O)C2CO\n\n","OCC1C(=O)C2(C(C1CC2)(C)C)C","O=C1C(CO)C2CCC1(C)C2(C)(C)","",1,"2-Bornanone, 3-(hydroxymethyl)-(1)","20618-41-1(1)","4262","Medium Reliability","-"]
[468,"CCCCc1c(O)nc(nc1C)N(C)C\nCCCCc1c(C)[nH]c(nc1=O)N(C)C\n\n","CCCCc1c(C)nc(nc1O)N(C)C","Oc1nc(nc(c1CCCC)C)N(C)C","",1,"Dimethirimol(1)","5221-53-4(1)","3575","High Reliability","-"]
[469,"CC1(CCN2CCCCC2)N=C(O)N=C1O\nCC1(CCN2CCCCC2)NC(=O)NC1=O\n\n","OC1=NC(C(=N1)O)(C)CCN1CCCCC1","OC=1N=C(O)C(N=1)(C)CCN2CCCCC2","",1,"Hydantoin, 5-methyl-5-(2-piperidinoethyl)-(1)","16705-27-4(1)","4110","Medium Reliability","-"]
[470,"CC1(C)C2CCC1(C)C(N)(C2)C(O)=O\n\n\n","OC(=O)C1(N)CC2C(C1(C)CC2)(C)C","O=C(O)C1(N)(CC2CCC1(C)C2(C)(C))","",1,"2-Bornanecarboxylic acid, 2-amino-(1)","6266-05-3(1)","3723","High Reliability","-"]
[471,"CCCCCCN1CC(CC1=O)C(O)=O\n\n\n","CCCCCCN1CC(CC1=O)C(=O)O","O=C(O)C1CC(=O)N(CCCCCC)C1","",1,"1-HEXYL-4-CARBOXY-2-PYRROLIDONE(1)","116167-27-2(1)","5602","High Reliability","Checked on PubChem, Checked on ChemID"]
[472,"CCCCCCCCn1sccc1=O\n\n\n","CCCCCCCCn1sccc1=O","O=C1C=CSN1CCCCCCCC","",1,"3(2H)-ISOTHIAZOLONE, 2-OCTYL-(1)","26530-20-1(1)","4422","High Reliability","-"]
[473,"CCN(CC)c1nc(nc(Cl)n1)N(CC)CC\n\n\n","CCN(c1nc(nc(n1)Cl)N(CC)CC)CC","n1c(nc(nc1N(CC)CC)Cl)N(CC)CC","",1,"CHLORAZINE(1)","580-48-3(1)","2228","High Reliability","-"]
[474,"CCC(C)(C)C1CCC(=NO)C(C1)=NO\n\n\n","CCC(C1CCC(=NO)C(=NO)C1)(C)C","ON=C1C(=NO)CC(CC1)C(C)(C)CC","",1,"1,2-Cyclohexanedione, 4-tert-pentyl-, dioxime(1)","99991-56-7(1)","5444","Medium Reliability","-"]
[475,"CC(C)CC(N)C(O)=NC(CCC(O)=O)C(O)=O\nCC(C)CC(N)C(=O)NC(CCC(O)=O)C(O)=O\n\n","CC(CC(C(=NC(C(=O)O)CCC(=O)O)O)N)C","O=C(O)CCC(N=C(O)C(N)CC(C)C)C(=O)O","",1,"L-Glutamic acid, N-L-leucyl-(1)","16364-31-1(1)","4101","Medium Reliability","Stereochemistry removed"]
[476,"CCN(CC)c1nc(OP(=S)(OC)OC)cc(C)n1\nCCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1\n\n","CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC","n1c(OP(OC)(OC)=S)cc(nc1N(CC)CC)C","",1,"PIRIMIPHOS-METHYL(1)","29232-93-7(1)","4478","High Reliability","-"]
[477,"OC(=O)CCCCCCCCC=C\n\n\n","C=CCCCCCCCCC(=O)O","O=C(O)CCCCCCCCC=C","",1,"UNDECYLENIC ACID(1)","112-38-9(1)","1253","High Reliability","-"]
[478,"CCC1CCC2(CCC(CC)O2)O1\n\n\n","CCC1CCC2(O1)CCC(O2)CC","O1C(CC)CCC12(OC(CC)CC2)","",1,"1,6-DIOXASPIRO[4,4]NONANE, 2,7-DIETHYL-(1)","73727-45-4(1)","5185","Medium Reliability","Checked on PubChem"]
[479,"CCCCC(CC)COC(=O)C=C\n\n\n","CCCCC(COC(=O)C=C)CC","O=C(OCC(CC)CCCC)C=C","",1,"2-ETHYLHEXYL ACRYLATE(1)","103-11-7(1)","926","High Reliability","-"]
[480,"CCCCCCCCC(C(O)=O)C(O)=O\n\n\n","CCCCCCCCC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)CCCCCCCC","",1,"OCTYLMALONIC ACID(1)","760-55-4(1)","2674","Medium Reliability","-"]
[481,"CCC(=O)OCCCCCOC(=O)CC\nCCC(O)=O.CCC(O)=O.OCCCCCO\n\n","CCC(=O)OCCCCCOC(=O)CC","O=C(OCCCCCOC(=O)CC)CC","",1,"1,5-pentanediol,dipropanoate(1)","10025-09-9(1)","3895","High Reliability","Name verified in PubChem"]
[482,"CCOC(=O)CCCCCC(=O)OCC\n\n\n","CCOC(=O)CCCCCC(=O)OCC","O=C(OCC)CCCCCC(=O)OCC","",1,"DIETHYL PIMELATE(1)","2050-20-6(1)","3076","High Reliability","-"]
[483,"OC(=O)CCCCCCCCCC(O)=O\n\n\n","OC(=O)CCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCC(=O)O","",1,"Undecanedioic Acid(1)","1852-04-6(1)","3001","High Reliability","-"]
[484,"OC(=O)CCCCCCCCCCBr\n\n\n","BrCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCBr","",1,"Undecanoic acid, 11-bromo-(1)","2834-05-1(1)","3291","High Reliability","-"]
[485,"CC(C)CC(N)C(O)=NC(C)C(O)=NCC(O)=O\nCC(C)CC(N)C(=O)NC(C)C(=O)NCC(O)=O\n\n","CC(CC(C(=NC(C(=NCC(=O)O)O)C)O)N)C","O=C(O)CN=C(O)C(N=C(O)C(N)CC(C)C)C","",1,"Glycine, N-(N-L-leucyl-L-alanyl)-(1)","77214-70-1(1)","5237","Medium Reliability","Stereochemistry removed"]
[486,"CC(C)CC(N)C(O)=NC(CCC(O)=N)C(O)=O\nCC(C)CC(N)C(=O)NC(CCC(N)=O)C(O)=O\n\n","CC(CC(C(=NC(C(=O)O)CCC(=N)O)O)N)C","O=C(O)C(N=C(O)C(N)CC(C)C)CCC(=N)O","",1,"D-Glutamine, N2-L-leucyl-(1)","38062-69-0(1)","4661","Medium Reliability","Stereochemistry removed"]
[487,"CCN(CC)c1nc(NC(C)C)nc(OC)n1\n\n\n","COc1nc(NC(C)C)nc(n1)N(CC)CC","n1c(nc(nc1NC(C)C)N(CC)CC)OC","",1,"IPATONE(1)","3004-70-4(1)","3311","High Reliability","-"]
[488,"COCCCNc1nc(NC(C)C)nc(SC)n1\n\n\n","COCCCNc1nc(SC)nc(n1)NC(C)C","n1c(nc(nc1NC(C)C)SC)NCCCOC","",1,"METHOPROPTRYNE(1)","841-06-5(1)","2713","High Reliability","-"]
[489,"CCNc1nc(SC)nc(NC(C)C(C)C)n1\n\n\n","CCNc1nc(NC(C(C)C)C)nc(n1)SC","n1c(nc(nc1NC(C)C(C)C)SC)NCC","",1,"DIMETHAMRTRYNE(1)","22936-75-0(1)","4331","Medium Reliability","-"]
[490,"CCSc1nc(NC(C)C)nc(NC(C)C)n1\n\n\n","CCSc1nc(NC(C)C)nc(n1)NC(C)C","n1c(nc(nc1NC(C)C)SCC)NC(C)C","",1,"DIPROPETRYNE(1)","4147-51-7(1)","3464","High Reliability","-"]
[491,"CCSC(=O)N(CC)C1CCCCC1\n\n\n","CCN(C(=O)SCC)C1CCCCC1","O=C(N(CC)C1CCCCC1)SCC","",1,"CYCLOATE(1)","1134-23-2(1)","2851","Medium Reliability","-"]
[492,"CN(C)C(=O)NC1CCCCCCC1\n\n\n","CN(C(=O)NC1CCCCCCC1)C","O=C(NC1CCCCCCC1)N(C)C","",1,"CYCLURON(1)","2163-69-1(1)","3111","High Reliability","-"]
[493,"CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(O)=O)C(O)=O\n\n\n","O=C(C(NC(=O)C(CCP(=O)(O)C)N)C)NC(C(=O)O)C","O=C(O)C(NC(=O)C(NC(=O)C(N)CCP(=O)(O)C)C)C","",1,"Bilanafos(1)","35597-43-4(1)","4616","High Reliability","Stereochemistry removed"]
[494,"CCCCCC(=O)CCCCC\n\n\n","CCCCCC(=O)CCCCC","O=C(CCCCC)CCCCC","",1,"6-UNDECANONE(1)","927-49-1(1)","2749","High Reliability","-"]
[495,"CCCCCCCCCCC(O)=O\n\n\n","CCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCC","",1,"UNDECANOIC ACID(1)","112-37-8(1)","1252","High Reliability","-"]
[496,"CCCCCCCCCC(=O)OC\n\n\n","CCCCCCCCCC(=O)OC","O=C(OC)CCCCCCCCC","",1,"METHYL DECANOATE(1)","110-42-9(1)","1170","High Reliability","-"]
[497,"CCCCCCCCC(=O)OCC\n\n\n","CCCCCCCCC(=O)OCC","O=C(OCC)CCCCCCCC","",1,"ETHYL NONANOATE(1)","123-29-5(1)","1410","High Reliability","-"]
[498,"CCCCCCCCOC(=O)C(C)O\n\n\n","CCCCCCCCOC(=O)C(O)C","O=C(OCCCCCCCC)C(O)C","",1,"Propanoic acid, 2-hydroxy-, octyl ester(1)","5464-71-1(1)","3623","High Reliability","-"]
[499,"CCCCCCOC(=O)CCOCC\n\n\n","CCCCCCOC(=O)CCOCC","O=C(OCCCCCC)CCOCC","",1,"Propionic acid, 3-ethoxy-, hexyl ester(1)","14144-37-7(1)","4013","Medium Reliability","-"]
[500,"CCCCOCCC(=O)OCCCC\n\n\n","CCCCOCCC(=O)OCCCC","O=C(OCCCC)CCOCCCC","",1,"Propanoic acid, 3-butoxy-, butyl ester(1)","14144-48-0(1)","4016","High Reliability","-"]
[501,"OCCCCCCCCCCC(O)=O\nOCCCCCCCCCCC([O-])=O\n\n","OCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCO","",1,"Undecanoic acid, 11-hydroxy-(1)","3669-80-5(1)","3410","High Reliability","-"]
[502,"CCCCCCCCN=C(O)C(C)O\nCCCCCCCCNC(=O)C(C)O\n\n","CCCCCCCCN=C(C(O)C)O","OC(=NCCCCCCCC)C(O)C","",1,"Lactamide, N-octyl-(1)","6280-23-5(1)","3726","High Reliability","-"]
[503,"NCCCCCCCCCCC(O)=O\n\n\n","NCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCN","",1,"11-Aminoundecanoic acid(1)","2432-99-7(1)","3206","High Reliability","-"]
[504,"CCSC(=O)N(CC(C)C)CC(C)C\n\n\n","CCSC(=O)N(CC(C)C)CC(C)C","O=C(N(CC(C)C)CC(C)C)SCC","",1,"BUTYLATE(1)","2008-41-5(1)","3064","High Reliability","-"]
[505,"CCCCCCCCCCC\n\n\n","CCCCCCCCCCC","CCCCCCCCCCC","",1,"N-UNDECANE(1)","1120-21-4(1)","2837","High Reliability","-"]
[506,"CCCCCCCCCC(C)O\n\n\n","CCCCCCCCCC(O)C","OC(C)CCCCCCCCC","",1,"2-UNDECANOL(1)","1653-30-1(1)","2953","High Reliability","-"]
[507,"CCCCCCCCOCC(O)CO\n\n\n","CCCCCCCCOCC(CO)O","OCC(O)COCCCCCCCC","",1,"3-Octyloxy-propane-1,2-diol(1)","10438-94-5(1)","3919","High Reliability","-"]
[508,"CCOP(C)(=O)SCCN(C(C)C)C(C)C\n\n\n","CCOP(=O)(SCCN(C(C)C)C(C)C)C","O=P(OCC)(C)SCCN(C(C)C)C(C)C","",1,"VX(1)","50782-69-9(1)","4789","High Reliability","-"]
[509,"Clc1cccc(-c2c[nH]cc2C#N)c1Cl\n\n\n","N#Cc1c[nH]cc1c1cccc(c1Cl)Cl","N#Cc1c[nH]cc1c2cccc(c2Cl)Cl","",1,"FENPICLONIL(1)","74738-17-3(1)","5213","High Reliability","-"]
[510,"OC(=O)c1c(Cl)ccc2ccccc12\n\n\n","OC(=O)c1c(Cl)ccc2c1cccc2","O=C(O)c1c2ccccc2(ccc1Cl)","",1,"1-Naphthalenecarboxylic acid, 2-chloro-(1)","7720-42-5(1)","3873","Medium Reliability","-"]
[511,"OC(=O)c1cccc2c1c(ccc2)[N+]([O-])=O\nOC(=O)c1cccc2cccc(c12)[N+]([O-])=O\n\n","OC(=O)c1cccc2c1c(ccc2)[N+](=O)[O-]","O=C(O)c2cccc1cccc(c12)[N+](=O)[O-]","",1,"1-NAPHTHALENECARBOXYLIC ACID, 8-NITRO-(1)","2216-13-9(1)","3129","High Reliability","-"]
[512,"S=C=Nc1cccc2ccccc12\n\n\n","S=C=Nc1cccc2c1cccc2","C(=Nc1cccc2ccccc12)=S","",1,"1-ISOTHIOCYANONAPHTHALENE(1)","551-06-4(1)","2126","Medium Reliability","-"]
[513,"Cc1c(Cl)cc(cc1Cl)-c2nnc(O)cc2\nCc1c(Cl)cc(cc1Cl)-c2n[nH]c(=O)cc2\n\n","Oc1ccc(nn1)c1cc(Cl)c(c(c1)Cl)C","Oc1nnc(cc1)c2cc(c(c(c2)Cl)C)Cl","",1,"Diclomezine(1)","62865-36-5(1)","5019","High Reliability","-"]
[514,"Cc1cc2c(nc1)c(C(O)=O)c(Cl)cc2\n\n\n","Cc1cnc2c(c1)ccc(c2C(=O)O)Cl","O=C(O)c1c2ncc(cc2(ccc1Cl))C","",1,"Quinmerac(1)","90717-03-6(1)","5355","High Reliability","-"]
[515,"OC(=Nc1ccccc1)n2cc(F)c(O)nc2=O\nFc1cn(c(=O)[nH]c1=O)C(=O)Nc2ccccc2\n\n","OC(=Nc1ccccc1)n1cc(F)c(nc1=O)O","O=C1N=C(O)C(F)=CN1C(O)=Nc2ccccc2","",1,"1(2H)-PYRIMIDINECARBOXAMIDE, 5-FLUORO-3,4-DICHLO(1)","56563-17-8(1)","4935","Medium Reliability","-"]
[516,"[nH]1c2ccccc2nc1-c3ccco3\n\n\n","c1coc(c1)c1nc2c([nH]1)cccc2","n1c3ccccc3([nH]c1c2occc2)","",1,"FUBERIDAZOLE(1)","3878-19-1(1)","3442","High Reliability","-"]
[517,"CC1=CC(=O)c2c(cccc2)C1=O\nCC1=CC(=O)c2ccccc2C1=O\n\n","O=C1C=C(C)C(=O)c2c1cccc2","O=C1C=C(C(=O)c2ccccc12)C","",1,"2-METHYL-1,4-NAPHTHOQUINONE(1)","58-27-5(1)","149","High Reliability","-"]
[518,"OC(=O)c1ccc2ccccc2c1\n\n\n","OC(=O)c1ccc2c(c1)cccc2","O=C(O)c1ccc2ccccc2(c1)","",1,"2-NAPHTHOIC ACID(1)","93-09-4(1)","699","High Reliability","-"]
[519,"OC(=O)c1c2ccccc2ccc1\nOC(=O)c1cccc2ccccc12\n\n","OC(=O)c1cccc2c1cccc2","O=C(O)c2cccc1ccccc12","",1,"1-NAPTHOIC ACID(1)","86-55-5(1)","570","Medium Reliability","-"]
[520,"CSC1=CC(=O)c2ccccc2C1=O\n\n\n","CSC1=CC(=O)c2c(C1=O)cccc2","O=C1C=C(C(=O)c2ccccc12)SC","",1,"1,4-Naphthalenedione, 2-(methylthio)-(1)","26037-60-5(1)","4413","High Reliability","-"]
[521,"CC1=CC(=O)c2c(cccc2O)C1=O\nCC1=CC(=O)c2c(O)cccc2C1=O\n\n","CC1=CC(=O)c2c(C1=O)cccc2O","O=C1C=C(C(=O)c2cccc(O)c12)C","",1,"1,4-Naphthalenedione, 5-hydroxy-2-methyl-(1)","481-42-5(1)","1854","High Reliability","-"]
[522,"OC(=O)c1c2ccccc2ccc1O\nOC(=O)c1c(O)ccc2ccccc12\n\n","OC(=O)c1c(O)ccc2c1cccc2","O=C(O)c2c(O)ccc1ccccc12","",1,"1-Naphthalenecarboxylic acid, 2-hydroxy-(1)","2283-08-1(1)","3157","High Reliability","-"]
[523,"OC(=O)Cc1cc2ccccc2oc1=O\n\n\n","OC(=O)Cc1cc2ccccc2oc1=O","O=C(O)CC1=Cc2ccccc2(OC1(=O))","",1,"2H-1-Benzopyran-3-acetic acid, 2-oxo-(1)","20862-58-2(1)","4283","Medium Reliability","-"]
[524,"ClCC#CCOC(=O)Nc1cccc(Cl)c1\n\n\n","ClCC#CCOC(=O)Nc1cccc(c1)Cl","O=C(OCC#CCCl)Nc1cccc(c1)Cl","",1,"BARBAN(1)","101-27-9(1)","907","High Reliability","-"]
[525,"O=C(Nc1ccccn1)c2cnccc2\n\n\n","O=C(c1cccnc1)Nc1ccccn1","O=C(Nc1ncccc1)c2cnccc2","",1,"3-Pyridinecarboxamide, N-2-pyridinyl-(1)","13160-07-1(1)","3958","High Reliability","-"]
[526,"Cc1noc(c1C(O)=O)-c2ccccc2\n\n\n","OC(=O)c1c(C)noc1c1ccccc1","O=C(O)c2c(noc2(c1ccccc1))C","",1,"4-Isoxazolecarboxylic acid, 3-methyl-5-phenyl-(1)","17153-21-8(1)","4144","Medium Reliability","-"]
[527,"ON(C(=O)c1ccco1)c2ccccc2\n\n\n","ON(C(=O)c1ccco1)c1ccccc1","O=C(c1occc1)N(O)c2ccccc2","",1,"2-Furancarboxamide, N-hydroxy-N-phenyl-(1)","7630-14-0(1)","3862","Medium Reliability","-"]
[528,"Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n\n","Clc1c(c2c(Cl)c(Cl)c(c(c2Cl)Cl)Cl)c(Cl)c(c(c1Cl)Cl)Cl","c2(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","",1,"DECACHLOROBIPHENYL(1)","2051-24-3(1)","3083","High Reliability","-"]
[529,"Clc1c2oc3c(c2c(Cl)c(Cl)c1Cl)c(Cl)c(Cl)c(Cl)c3Cl\nClc1c(Cl)c(Cl)c2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c23)c1Cl\n\n","Clc1c(Cl)c(Cl)c2c(c1Cl)oc1c2c(Cl)c(c(c1Cl)Cl)Cl","o1c3c(c2c1c(c(c(c2Cl)Cl)Cl)Cl)c(c(c(c3Cl)Cl)Cl)Cl","",1,"OCTACHLORODIBENZOFURAN(1)","39001-02-0(1)","4702","High Reliability","-"]
[530,"Clc1c(Cl)c2c(Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3O2)c(Cl)c1Cl\n\n\n","Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl","O1c3c(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl)c(c(c(c3Cl)Cl)Cl)Cl","",1,"1,2,3,4,6,7,8,9-OCTACHLORODIBENZO-P-DIOXIN(1)","3268-87-9(1)","3361","High Reliability","-"]
[531,"c1ccc(cc1)-c2ccccc2\n\n\n","c1ccc(cc1)c1ccccc1","c1ccc(cc1)c2ccccc2","",1,"BIPHENYL(1)","92-52-4(1)","687","High Reliability","-"]
[532,"C1Cc2c3c1cccc3ccc2\n\n\n","c1cc2cccc3c2c(c1)CC3","c2cc1cccc3c1c(c2)CC3","",1,"ACENAPHTHENE(1)","83-32-9(1)","521","High Reliability","-"]
[533,"FC(F)(F)c1cccc(c1)N2CC(CCl)C(Cl)C2=O\n\n\n","ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F","O=C2N(c1cccc(c1)C(F)(F)F)CC(CCl)C2Cl","",1,"FLUROCHLORIDONE(1)","61213-25-0(1)","5002","High Reliability","-"]
[534,"Nc1c(Cl)cc(cc1)-c2cc(Cl)c(N)cc2\n\n\n","Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N","Nc1ccc(cc1Cl)c2ccc(N)c(c2)Cl","",1,"3,3'-DICHLOROBENZIDINE(1)","91-94-1(1)","680","High Reliability","-"]
[535,"Nc1ccc(cc1)-c2ccc(Cl)cc2\n\n\n","Nc1ccc(cc1)c1ccc(cc1)Cl","Nc1ccc(cc1)c2ccc(cc2)Cl","",1,"4-Amino-4'-chlorodiphenyl(1)","135-68-2(1)","1525","Medium Reliability","-"]
[536,"Clc1nccc(NC(=O)Nc2ccccc2)c1\n\n\n","O=C(Nc1ccnc(c1)Cl)Nc1ccccc1","O=C(Nc1ccccc1)Nc2ccnc(c2)Cl","",1,"Forchlorfenuron(1)","68157-60-8(1)","5098","High Reliability","-"]
[537,"Nc1ccc(cc1)S(=O)(=O)c2ccc(Cl)cc2\n\n\n","Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl","O=S(=O)(c1ccc(N)cc1)c2ccc(cc2)Cl","",1,"BENZENAMINE, 4-[(4-CHLOROPHENYL)SULFONYL]-(1)","7146-68-1(1)","3816","High Reliability","-"]
[538,"c1ccc(cc1)N=Nc2ccccc2\n\n\n","c1ccc(cc1)N=Nc1ccccc1","N(=Nc1ccccc1)c2ccccc2","",1,"AZOBENZENE(1)","103-33-3(1)","930","High Reliability","-"]
[539,"O=C(Nc1ccccc1)c2cnccc2\n\n\n","O=C(c1cccnc1)Nc1ccccc1","O=C(Nc1ccccc1)c2cnccc2","",1,"NICOTINANILIDE(1)","1752-96-1(1)","2980","High Reliability","-"]
[540,"Oc1ccc(cc1)N=Nc2ccccc2\nO=C1C=CC(C=C1)=NNc2ccccc2\n\n","Oc1ccc(cc1)N=Nc1ccccc1","Oc2ccc(N=Nc1ccccc1)cc2","",1,"P-PHENYLAZOPHENOL(1)","1689-82-3(1)","2960","High Reliability","Stereochemistry removed"]
[541,"O=NN(c1ccccc1)c2ccccc2\n\n\n","O=NN(c1ccccc1)c1ccccc1","O=NN(c1ccccc1)c2ccccc2","",1,"DIPHENYLNITROSAMINE(1)","86-30-6(1)","568","High Reliability","-"]
[542,"Oc1cc(O)c(cc1)N=Nc2ccccc2\nOc1ccc(N=Nc2ccccc2)c(O)c1\nOC1=CC(=O)C=CC1=NNc2ccccc2\n","Oc1ccc(c(c1)O)N=Nc1ccccc1","Oc2ccc(N=Nc1ccccc1)c(O)c2","",1,"2,4-Dihydroxyazobenzene(1)","2051-85-6(1)","3087","High Reliability","Stereochemistry removed"]
[543,"OS(=O)(=O)c1ccc(cc1)N=Nc2ccccc2\n\n\n","OS(=O)(=O)c1ccc(cc1)N=Nc1ccccc1","O=S(=O)(O)c2ccc(N=Nc1ccccc1)cc2","",1,"4-(PHENYLAZO)BENZENESULFONIC ACID(1)","2484-88-0(1)","3218","High Reliability","-"]
[544,"O(c1ccccc1)c2ccccc2\n\n\n","c1ccc(cc1)Oc1ccccc1","O(c1ccccc1)c2ccccc2","",1,"DIPHENYL ETHER(1)","101-84-8(1)","913","High Reliability","-"]
[545,"CC(=O)c1cc2ccccc2cc1\nCC(=O)c1ccc2ccccc2c1\n\n","CC(=O)c1ccc2c(c1)cccc2","O=C(c1ccc2ccccc2(c1))C","",1,"1-(2-NAPHTHALENYL)ETHANONE(1)","93-08-3(1)","698","High Reliability","-"]
[546,"Oc1ccc(cc1)-c2ccccc2\n\n\n","Oc1ccc(cc1)c1ccccc1","Oc1ccc(cc1)c2ccccc2","",1,"P-PHENYLPHENOL(1)","92-69-3(1)","690","High Reliability","-"]
[547,"Oc1c(cccc1)-c2ccccc2\nOc1ccccc1-c2ccccc2\n\n","Oc1ccccc1c1ccccc1","Oc1ccccc1c2ccccc2","",1,"2-PHENYLPHENOL(1)","90-43-7(1)","656","High Reliability","-"]
[548,"Oc1c(O)cc(cc1)-c2ccccc2\nOc1ccc(cc1O)-c2ccccc2\n\n","Oc1ccc(cc1O)c1ccccc1","Oc1ccc(cc1(O))c2ccccc2","",1,"4-PHENYLCATECHOL(1)","92-05-7(1)","681","High Reliability","-"]
[549,"Oc1ccccc1Oc2ccccc2\n\n\n","Oc1ccccc1Oc1ccccc1","Oc2ccccc2(Oc1ccccc1)","",1,"Phenol, 2-phenoxy-(1)","2417-10-9(1)","3196","High Reliability","-"]
[550,"OC(=O)Cc1c2ccccc2ccc1\nOC(=O)Cc1cccc2ccccc12\n\n","OC(=O)Cc1cccc2c1cccc2","O=C(O)Cc2cccc1ccccc12","",1,"NAPHTHALENEACETIC ACID(1)","86-87-3(1)","578","High Reliability","-"]
[551,"Oc1c(cccc1)S(=O)(=O)c2c(O)cccc2\n\n\n","Oc1ccccc1S(=O)(=O)c1ccccc1O","O=S(=O)(c1ccccc1(O))c2ccccc2(O)","",1,"Phenol, 2,2'-sulfonylbis-(1)","15038-67-2(1)","4051","High Reliability","-"]
[552,"Oc1ccc(Sc2ccccc2)cc1\n\n\n","Oc1ccc(cc1)Sc1ccccc1","Oc1ccc(cc1)Sc2ccccc2","",1,"Phenol, 4-(phenylthio)-(1)","5633-55-6(1)","3644","Medium Reliability","-"]
[553,"Clc1cc(Cl)c(cc1)C2(Cn3cncn3)OCCO2\nClc1ccc(c(Cl)c1)C2(Cn3cncn3)OCCO2\n\n","Clc1ccc(c(c1)Cl)C1(OCCO1)Cn1cncn1","n1cnn(c1)CC2(OCCO2)c3ccc(cc3Cl)Cl","",1,"AZACONAZOL(1)","60207-31-0(1)","4985","Medium Reliability","-"]
[554,"CC(C)(NC(=O)c1cc(Cl)cc(Cl)c1)C#C\n\n\n","C#CC(NC(=O)c1cc(Cl)cc(c1)Cl)(C)C","O=C(NC(C#C)(C)C)c1cc(cc(c1)Cl)Cl","",1,"PRONAMIDE(1)","23950-58-5(1)","4353","High Reliability","-"]
[555,"FC(F)(F)C(=NOCC1OCCO1)c2ccc(Cl)cc2\n\n\n","FC(C(=NOCC1OCCO1)c1ccc(cc1)Cl)(F)F","FC(F)(F)C(=NOCC1OCCO1)c2ccc(cc2)Cl","",1,"FLUXOFENIM(1)","88485-37-4(1)","5328","High Reliability","Stereochemistry removed"]
[556,"NS(=O)(=O)c1c(Cl)cc(NCc2ccco2)c(c1)C(O)=O\nNS(=O)(=O)c1cc(C(O)=O)c(NCc2occc2)cc1Cl\n\n","OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N","O=C(O)c2cc(c(cc2(NCc1occc1))Cl)S(=O)(=O)N","",1,"FUROSEMIDE(1)","54-31-9(1)","77","High Reliability","-"]
[557,"CC(=O)NCc1c(I)c(C(O)=O)c(I)c(NC(C)=O)c1I\n\n\n","CC(=O)NCc1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I","O=C(O)c1c(c(NC(=O)C)c(c(c1I)CNC(=O)C)I)I","",1,"Iodamide(1)","440-58-4(1)","1786","High Reliability","-"]
[558,"N(c1ccccc1)c2ccccc2\n\n\n","c1ccc(cc1)Nc1ccccc1","c1ccc(cc1)Nc2ccccc2","",1,"DIPHENYLAMINE(1)","122-39-4(1)","1391","High Reliability","-"]
[559,"N(N=Nc1ccccc1)c2ccccc2\n\n\n","c1ccc(cc1)NN=Nc1ccccc1","N(=Nc1ccccc1)Nc2ccccc2","",1,"1,3-DIPHENYL-1-TRIAZENE(1)","136-35-6(1)","1527","High Reliability","-"]
[560,"Nc1ccc(cc1)N=Nc2ccccc2\n\n\n","Nc1ccc(cc1)N=Nc1ccccc1","N(=Nc1ccc(N)cc1)c2ccccc2","",1,"P-PHENYLAZOANILINE(1)","60-09-3(1)","180","High Reliability","Stereochemistry removed"]
[561,"C(Nc1c-2ncnc2nc[nH]1)c3ccccc3\nC(Nc1ncnc2nc[nH]c12)c3ccccc3\n\n","c1ccc(cc1)CNc1[nH]cnc2c1ncn2","N=1C=NC=3C=1N=CNC=3(NCc2ccccc2)","",1,"1H-PURIN-6-AMINE, N-(PHENYLMETHYL)-(1)","1214-39-7(1)","2876","High Reliability","-"]
[562,"Nc1c2ncn(Cc3ccccc3)c2ncn1\nNc1ncnc2n(Cc3ccccc3)cnc12\n\n","Nc1ncnc2c1ncn2Cc1ccccc1","n3cnc1c(ncn1Cc2ccccc2)c3N","",1,"9H-PURIN-6-AMINE, 9-(PHENYLMETHYL)-(1)","4261-14-7(1)","3475","High Reliability","-"]
[563,"NC(=O)Cc1c2ccccc2ccc1\nNC(=O)Cc1cccc2ccccc12\n\n","NC(=O)Cc1cccc2c1cccc2","O=C(N)Cc2cccc1ccccc12","",1,"1-Naphthaleneacetamide(1)","86-86-2(1)","577","High Reliability","-"]
[564,"CNC(=O)Oc1c2ccccc2ccc1\nCNC(=O)Oc1cccc2ccccc12\n\n","CNC(=O)Oc1cccc2c1cccc2","O=C(Oc1cccc2ccccc12)NC","",1,"1-NAPHTHYL-N-METHYLCARBAMATE(1)","63-25-2(1)","217","Medium Reliability","-"]
[565,"Cc1c(cco1)C(=O)Nc2ccccc2\n\n\n","O=C(c1ccoc1C)Nc1ccccc1","O=C(Nc1ccccc1)c2ccoc2C","",1,"Fenfuram(1)","24691-80-3(1)","4364","High Reliability","-"]
[566,"O=C1CC(CC(=O)C1N(=O)=O)c2ccccc2\n[O-][N+](=O)C1C(=O)CC(CC1=O)c2ccccc2\n\n","O=C1CC(CC(=O)C1[N+](=O)[O-])c1ccccc1","O=C2CC(c1ccccc1)CC(=O)C2[N+](=O)[O-]","",1,"Cyclohexane-1,3-dione, 2-nitro-5-phenyl-(1)","91569-89-0(1)","5367","Medium Reliability","-"]
[567,"COc1ccc(cc1)C(=O)c2csc(c2)S(N)(=O)=O\n\n\n","COc1ccc(cc1)C(=O)c1csc(c1)S(=O)(=O)N","O=C(c1ccc(OC)cc1)c2cc(sc2)S(=O)(=O)N","",1,"2-THIOPHENESULFONAMIDE, 4-(4-METHOXYBENZOYL)-(1)","118976-97-9(1)","5627","Medium Reliability","-"]
[568,"CCc1cccc2c1cccc2\nCCc1cccc2ccccc12\n\n","CCc1cccc2c1cccc2","c1ccc2c(c1)cccc2CC","",1,"1-ETHYLNAPHTHALENE(1)","1127-76-0(1)","2847","High Reliability","-"]
[569,"CCc1ccc2ccccc2c1\n\n\n","CCc1ccc2c(c1)cccc2","c1ccc2cc(ccc2(c1))CC","",1,"2-ETHYLNAPHTHALENE(1)","939-27-5(1)","2763","High Reliability","-"]
[570,"Cc1cc2c(cc1)cc(C)cc2\nCc1ccc2cc(C)ccc2c1\n\n","Cc1ccc2c(c1)ccc(c2)C","c1cc(cc2ccc(cc12)C)C","",1,"2,6-DIMETHYLNAPHTHALENE(1)","581-42-0(1)","2230","High Reliability","-"]
[571,"Cc1cccc2c(C)cccc12\n\n\n","Cc1cccc2c1cccc2C","c2cc1c(cccc1C)c(c2)C","",1,"1,5-DIMETHYLNAPHTHALENE(1)","571-61-9(1)","2204","High Reliability","-"]
[572,"Cc1cc(C)c2ccccc2c1\n\n\n","Cc1cc2ccccc2c(c1)C","c1ccc2c(c1)cc(cc2C)C","",1,"1,3-DIMETHYLNAPTHALENE(1)","575-41-7(1)","2208","Medium Reliability","-"]
[573,"Cc1c(C)cc2ccccc2c1\nCc1cc2ccccc2cc1C\n\n","Cc1cc2ccccc2cc1C","c1ccc2cc(c(cc2(c1))C)C","",1,"2,3-DIMETHYLNAPHTHALENE(1)","581-40-8(1)","2229","High Reliability","-"]
[574,"Cc1ccc(C)c2c1cccc2\n\n\n","Cc1ccc(c2c1cccc2)C","c1ccc2c(c1)c(ccc2C)C","",1,"1,4-DIMETHYLNAPHTHALENE(1)","571-58-4(1)","2203","High Reliability","-"]
[575,"CC(C#C)N(C(=O)CCl)c1ccccc1\n\n\n","ClCC(=O)N(C(C#C)C)c1ccccc1","O=C(N(c1ccccc1)C(C#C)C)CCl","",1,"Prynachlor(1)","21267-72-1(1)","4291","High Reliability","-"]
[576,"N(Nc1ccccc1)c2ccccc2\n\n\n","c1ccc(cc1)NNc1ccccc1","c1ccc(cc1)NNc2ccccc2","",1,"HYDRAZOBENZENE(1)","122-66-7(1)","1395","High Reliability","-"]
[577,"[Br-].[Br-].C1C[n+]2c(cccc2)-c3[n+]1cccc3\n[Br-].[Br-].C1C[n+]2ccccc2-c3cccc[n+]13\nC1C[n+]2c(cccc2)-c3cccc[n+]13\n[Br-].[Br-].C1C[n+]2ccccc2-c3cccc[n+]13","c1cc[n+]2c(c1)c1cccc[n+]1CC2","c1cc[n+]3c(c1)c2cccc[n+]2CC3","",2,"DIQUAT DIBROMIDE(1), DIQUAT(1)","85-00-7(1), 2764-72-9(1)","550, 3283","High Reliability","Differences in counterions"]
[578,"Nc1ccc(cc1)-c2ccc(N)cc2\n\n\n","Nc1ccc(cc1)c1ccc(cc1)N","Nc1ccc(cc1)c2ccc(N)cc2","",1,"BENZIDINE(1)","92-87-5(1)","692","High Reliability","-"]
[579,"Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2\n\n\n","Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N","O=S(=O)(c1ccc(N)cc1)c2ccc(N)cc2","",1,"di(p-aminophenyl)sulfone(1)","80-08-0(1)","486","Medium Reliability","Name verified in PubChem"]
[580,"Nc1ccc(cc1)S(=O)(=O)c2ccccc2N\n\n\n","Nc1ccc(cc1)S(=O)(=O)c1ccccc1N","O=S(=O)(c1ccc(N)cc1)c2ccccc2(N)","",1,"BENZENAMINE, 2-[(4-AMINOPHENYL)SULFONYL]-(1)","27147-69-9(1)","4440","Medium Reliability","-"]
[581,"CCC1(C(=O)NC(=O)NC1=O)c2ccccc2\n\n\n","CCC1(C(=O)NC(=O)NC1=O)c1ccccc1","O=C2NC(=O)C(c1ccccc1)(C(=O)N2)CC","",1,"PHENOBARBITAL(1)","50-06-6(1)","5","Medium Reliability","-"]
[582,"CCn1cc(C(O)=O)c(=O)c2c1nc(C)cc2\nCCn1cc(C(O)=O)c(=O)c2ccc(C)nc12\n\n","CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2","O=C(O)C1=CN(c2nc(ccc2(C1(=O)))C)CC","",1,"NALIDIXIC ACID(1)","389-08-2(1)","1771","High Reliability","-"]
[583,"CCC1(C(=O)NC(=O)NC1=O)c2ccc(O)cc2\n\n\n","CCC1(C(=O)NC(=O)NC1=O)c1ccc(cc1)O","O=C1NC(=O)C(C(=O)N1)(c2ccc(O)cc2)CC","",1,"5-ETHYL-5-(P-HYDROXYPHENYL)BARBITURIC ACID(1)","379-34-0(1)","1767","Medium Reliability","-"]
[584,"Cl.Nc1ccc(N=Nc2ccccc2)c(N)c1\n[H+].[Cl-].Nc1ccc(N=Nc2ccccc2)c(N)c1\n\n","Nc1ccc(c(c1)N)N=Nc1ccccc1","N(=Nc1ccc(N)cc1(N))c2ccccc2","",1,"C.I. BASIC ORANGE 2(1)","532-82-1(1)","2022","High Reliability","Differences in counterions, Organic counterion"]
[585,"O=C1CC(CC(=O)C1)c2ccccc2\nOC1=CC(=O)CC(C1)c2ccccc2\n\n","O=C1CC(CC(=O)C1)c1ccccc1","O=C2CC(=O)CC(c1ccccc1)C2","",1,"1,3-Cyclohexanedione, 5-phenyl-(1)","493-72-1(1)","1885","High Reliability","Stereochemistry removed"]
[586,"CC(=O)C(CC(O)=O)=Cc1ccccc1\n\n\n","CC(=O)C(=Cc1ccccc1)CC(=O)O","O=C(O)CC(=Cc1ccccc1)C(=O)C","",1,"Pentanoic acid, 4-oxo-3-(phenylmethylene)-(1)","26717-32-8(1)","4427","Medium Reliability","-"]
[587,"CCCN(CCCl)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O\n\n\n","CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCCl","O=[N+]([O-])c1cc(cc(c1N(CCC)CCCl)[N+](=O)[O-])C(F)(F)F","",1,"FLUCHLORALIN(1)","33245-39-5(1)","4559","High Reliability","-"]
[588,"CC(C#C)N(C)C(=O)Nc1ccc(Cl)cc1\n\n\n","CC(N(C(=O)Nc1ccc(cc1)Cl)C)C#C","O=C(Nc1ccc(cc1)Cl)N(C)C(C#C)C","",1,"BUTURON(1)","3766-60-7(1)","3430","High Reliability","-"]
[589,"CC(CN(C(C)=O)c1c(I)cc(I)c(N)c1I)C(O)=O\n\n\n","CC(C(=O)O)CN(c1c(I)cc(c(c1I)N)I)C(=O)C","O=C(O)C(C)CN(C(=O)C)c1c(cc(c(N)c1I)I)I","",1,"Iocetamic acid(1)","16034-77-8(1)","4090","High Reliability","-"]
[590,"CCNc1cccc2ccccc12\n\n\n","CCNc1cccc2c1cccc2","c1ccc2c(c1)cccc2(NCC)","",1,"1-NAPHTHALENAMINE, N-ETHYL-(1)","118-44-5(1)","1319","High Reliability","-"]
[591,"NNP(=O)(Oc1ccccc1)Oc2ccccc2\n\n\n","NNP(=O)(Oc1ccccc1)Oc1ccccc1","O=P(Oc1ccccc1)(Oc2ccccc2)NN","",1,"PHOSPHOROHYDRAZIDIC ACID, DIPHENYL ESTER(1)","33862-44-1(1)","4574","High Reliability","-"]
[592,"Cc1cc(C)nc(Nc2ccccc2)n1\n\n\n","Cc1cc(C)nc(n1)Nc1ccccc1","n1c(nc(cc1C)C)Nc2ccccc2","",1,"Pyrimethanil(1)","53112-28-0(1)","4869","High Reliability","-"]
[593,"OC(=NCCc1cnc[nH]1)c2ccccc2\nO=C(NCCc1c[nH]cn1)c2ccccc2\n\n","OC(=NCCc1cnc[nH]1)c1ccccc1","OC(=NCCc1cnc[nH]1)c2ccccc2","",1,"Benzamide, N-[2-(1H-imidazol-4-yl)ethyl]-(1)","29677-71-2(1)","4491","Medium Reliability","-"]
[594,"CN(c1ccccn1)S(=O)(=O)c2ccc(N)cc2\n\n\n","Nc1ccc(cc1)S(=O)(=O)N(c1ccccn1)C","O=S(=O)(c1ccc(N)cc1)N(c2ncccc2)C","",1,"N1-METHYL-N1-(2-PYRIDYL)SULFANILAMIDE(1)","51543-29-4(1)","4815","Medium Reliability","Checked on PubChem"]
[595,"NC(N)=NC(N)=Nc1cc2ccccc2cc1\nNC(=N)NC(=N)Nc1ccc2ccccc2c1\nNC(N)=NC(N)=Nc1ccc2ccccc2c1\n","NC(=NC(=Nc1ccc2c(c1)cccc2)N)N","N(C(=Nc1ccc2ccccc2(c1))N)=C(N)N","",1,"Imidodicarbonimidic diamide, N-2-naphthalenyl-(1)","5426-97-1(1)","3607","Medium Reliability","Stereochemistry removed"]
[596,"NC(N)=NC(N)=Nc1cccc2ccccc12\nNC(=N)NC(=N)Nc1cccc2ccccc12\n\n","NC(=NC(=Nc1cccc2c1cccc2)N)N","N(C(=Nc1cccc2ccccc12)N)=C(N)N","",1,"Imidodicarbonimidic diamide, N-1-naphthalenyl-(1)","13261-53-5(1)","3965","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[597,"COC(=O)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2\n\n\n","COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC","O=C(OC)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC","",1,"HARMONY(1)","79277-27-3(1)","5253","High Reliability","-"]
[598,"CCC(C)N1C(=O)c2ccccc2C1=O\n\n\n","CCC(N1C(=O)c2c(C1=O)cccc2)C","O=C1c2ccccc2(C(=O)N1C(C)CC)","",1,"1H-Isoindole-1,3(2H)-dione, 2-(1-methylpropyl)-(1)","10108-61-9(1)","3901","High Reliability","-"]
[599,"OC(=O)CCCc1c[nH]c2c1cccc2\nOC(=O)CCCc1c[nH]c2ccccc12\n\n","OC(=O)CCCc1c[nH]c2c1cccc2","O=C(O)CCCc2c[nH]c1ccccc12","",1,"3-INDOLEBUTYRIC ACID(1)","133-32-4(1)","1512","High Reliability","-"]
[600,"CC1=C(SCCO1)C(=O)Nc2ccccc2\n\n\n","O=C(C1=C(C)OCCS1)Nc1ccccc1","O=C(Nc1ccccc1)C2=C(OCCS2)C","",1,"CARBOXIN(1)","5234-68-4(1)","3577","High Reliability","-"]
[601,"CCOC(=O)C(=Cc1ccccc1)N=CO\n\n\n","CCOC(=O)C(=Cc1ccccc1)N=CO","O=C(OCC)C(N=CO)=Cc1ccccc1","",1,"Ethyl 2-formamido phenyl acrylate(1)","25315-34-8(1)","4388","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[602,"CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1\n\n\n","O=C(C1=C(C)OCCS1(=O)=O)Nc1ccccc1","O=C(Nc1ccccc1)C2=C(OCCS2(=O)(=O))C","",1,"OXYCARBOXIN(1)","5259-88-1(1)","3578","High Reliability","-"]
[603,"OC(=O)CC(O)(CC(O)=O)C(O)=Nc1ccccc1\nOC(=O)CC(O)(CC(O)=O)C(=O)Nc1ccccc1\n\n","OC(=Nc1ccccc1)C(CC(=O)O)(CC(=O)O)O","O=C(O)CC(O)(C(O)=Nc1ccccc1)CC(=O)O","",1,"Glutaric acid, 3-hydroxy-3-(phenylcarbamoyl)-(1)","15119-64-9(1)","4055","Medium Reliability","-"]
[604,"CCOP(=O)(OCC)OC(=CCl)c1c(Cl)cc(Cl)cc1\nCCOP(=O)(OCC)OC(=CCl)c1ccc(Cl)cc1Cl\n\n","CCOP(=O)(OC(=CCl)c1ccc(cc1Cl)Cl)OCC","O=P(OC(=CCl)c1ccc(cc1Cl)Cl)(OCC)OCC","",1,"CHLORFENVINPHOS(1)","470-90-6(1)","1825","High Reliability","Stereochemistry removed"]
[605,"CCOP(=S)(OCC)ON=C(C#N)c1ccccc1Cl\n\n\n","CCOP(=S)(ON=C(c1ccccc1Cl)C#N)OCC","N#CC(=NOP(OCC)(OCC)=S)c1ccccc1Cl","",1,"Chlorphoxim(1)","14816-20-7(1)","4045","High Reliability","Stereochemistry removed"]
[606,"CC1(C)CON(Cc2c(Cl)cccc2)C1=O\n\n\n","O=C1N(OCC1(C)C)Cc1ccccc1Cl","O=C1N(OCC1(C)C)Cc2ccccc2Cl","",1,"CLOMAZONE(1)","81777-89-1(1)","5271","High Reliability","-"]
[607,"[Cl-].[Cl-].C[n+]1ccc(cc1)-c2cc[n+](C)cc2\nC[n+]1ccc(cc1)-c2cc[n+](C)cc2\n\n","C[n+]1ccc(cc1)c1cc[n+](cc1)C","c1c[n+](ccc1c2cc[n+](cc2)C)C","",2,"Paraquat dichloride(1), PARAQUAT ION(1)","1910-42-5(1), 4685-14-7(1)","3018, 3522","High Reliability","-"]
[608,"NCCNc1c2ccccc2ccc1\nNCCNc1cccc2ccccc12\n[H+].[H+].[Cl-].[Cl-].NCCNc1cccc2ccccc12\n","NCCNc1cccc2c1cccc2","NCCNc2cccc1ccccc12","",1,"1,2-Ethanediamine, N-1-naphthalenyl-(1)","551-09-7(1)","2127","High Reliability","Differences in counterions"]
[609,"CCC1(C(=O)NCNC1=O)c2ccccc2\n\n\n","CCC1(C(=O)NCNC1=O)c1ccccc1","O=C2NCNC(=O)C2(c1ccccc1)CC","",1,"PRIMIDONE(1)","125-33-7(1)","1456","High Reliability","-"]
[610,"OC(=O)C(Cc1ccccc1)NCCC#N\n[O-]C(=O)C(Cc1ccccc1)[NH2+]CCC#N\n\n","N#CCCNC(C(=O)O)Cc1ccccc1","N#CCCNC(C(=O)O)Cc1ccccc1","",1,"DL-Phenylalanine, N-(2-cyanoethyl)-(1)","15095-74-6(1)","4052","Medium Reliability","Stereochemistry removed"]
[611,"Oc1c(cc(cc1C2CCCCC2)[N+]([O-])=O)[N+]([O-])=O\nOc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C2CCCCC2\n\n","[O-][N+](=O)c1cc(C2CCCCC2)c(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(c(O)c(c1)C2CCCCC2)[N+](=O)[O-]","",1,"2-CYCLOHEXYL-4,6-DINITROPHENOL(1)","131-89-5(1)","1500","High Reliability","-"]
[612,"CCC(C)c1c(OC(C)=O)c(cc(c1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","CCC(c1cc(cc(c1OC(=O)C)[N+](=O)[O-])[N+](=O)[O-])C","O=C(Oc1c(cc(cc1C(C)CC)[N+](=O)[O-])[N+](=O)[O-])C","",1,"DINOSEB ACETATE(1)","2813-95-8(1)","3288","High Reliability","-"]
[613,"Cn1ccsc1=Nc2c(C)cc(C)cc2\nCn1ccsc1=Nc2ccc(C)cc2C\n\n","Cc1ccc(c(c1)C)N=c1sccn1C","-","-",1,"Tifatol(1)","61676-87-7(1)","5008","High Reliability","-"]
[614,"Cc1nc(C)nc(NS(=O)(=O)c2ccc(N)cc2)c1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)nc(n1)C","O=S(=O)(Nc1nc(nc(c1)C)C)c2ccc(N)cc2","",1,"SULFISOMIDINE(1)","515-64-0(1)","1971","High Reliability","-"]
[615,"Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C","O=S(=O)(Nc1nc(cc(n1)C)C)c2ccc(N)cc2","",1,"SULFAMETHAZINE(1)","57-68-1(1)","136","High Reliability","-"]
[616,"CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O\n\n\n","CCn1ccc(nc1=O)NS(=O)(=O)c1ccc(cc1)N","O=C1N=C(C=CN1CC)NS(=O)(=O)c2ccc(N)cc2","",1,"Sulfacytine(1)","17784-12-2(1)","4171","High Reliability","-"]
[617,"COc1nc(C)nc(NS(=O)(=O)c2ccc(N)cc2)c1\n\n\n","COc1cc(nc(n1)C)NS(=O)(=O)c1ccc(cc1)N","O=S(=O)(Nc1nc(nc(OC)c1)C)c2ccc(N)cc2","",1,"SULFAMETHOMIDINE(1)","3772-76-7(1)","3433","High Reliability","-"]
[618,"COc1nc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)c1\n\n\n","COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)N","O=S(=O)(Nc1nc(nc(OC)c1)OC)c2ccc(N)cc2","",1,"SULFADIMETHOXINE(1)","122-11-2(1)","1386","High Reliability","-"]
[619,"COC(=O)NC(=S)Nc1c(NC(=S)NC(=O)OC)cccc1\nCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC\n\n","COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC","O=C(OC)NC(Nc1ccccc1(NC(NC(=O)OC)=S))=S","",1,"THIOPHANATE-METHYL(1)","23564-05-8(1)","4344","High Reliability","-"]
[620,"CC(=O)CC(CC(O)=O)c1ccccc1\n\n\n","CC(=O)CC(c1ccccc1)CC(=O)O","O=C(O)CC(c1ccccc1)CC(=O)C","",1,"5-oxo-3-phenyl-hexanoic acid(1)","6049-47-4(1)","3693","Medium Reliability","-"]
[621,"CCC(C(C(O)=O)c1ccccc1)C(O)=O\n\n\n","CCC(C(c1ccccc1)C(=O)O)C(=O)O","O=C(O)C(c1ccccc1)C(C(=O)O)CC","",1,"Succinic acid, 2-ethyl-3-phenyl-(1)","16827-45-5(1)","4121","Medium Reliability","-"]
[622,"CCOC(=O)c1ccccc1C(=O)OCC\n\n\n","CCOC(=O)c1ccccc1C(=O)OCC","O=C(OCC)c1ccccc1(C(=O)OCC)","",1,"DIETHYL PHTHALATE(1)","84-66-2(1)","544","High Reliability","-"]
[623,"COc1c(OCC(O)=O)ccc(CC=C)c1\nCOc1cc(CC=C)ccc1OCC([O-])=O\nCOc1c(OCC(O)=O)ccc(C=CC)c1\nCOc1cc(C=CC)ccc1OCC([O-])=O","C=CCc1ccc(c(c1)OC)OCC(=O)O","O=C(O)COc1ccc(cc1(OC))CC=C","",2,"Acetic acid, [2-methoxy-4-(2-propenyl)phenoxy]-(1), Acetic acid, [2-methoxy-4-(1-propenyl)phenoxy]-(1)","6331-61-9(1), 7510-46-5(1)","3747, 3851","High Reliability","Stereochemistry removed"]
[624,"CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc12\n\n\n","CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC","O=C2Oc1cc(ccc1N2CSP(OCC)(OCC)=S)Cl","",1,"PHOSALONE(1)","2310-17-0(1)","3166","High Reliability","-"]
[625,"CCOP(=S)(OCC)Oc1cnc2ccccc2n1\n\n\n","CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC","n1cc(nc2ccccc12)OP(OCC)(OCC)=S","",1,"QUINALPHOS(1)","13593-03-8(1)","3991","High Reliability","-"]
[626,"CCOP(=S)(OCC)ON=C(C#N)c1ccccc1\n\n\n","CCOP(=S)(ON=C(c1ccccc1)C#N)OCC","N#CC(=NOP(OCC)(OCC)=S)c1ccccc1","",1,"PHOXIM(1)","14816-18-3(1)","4044","High Reliability","Stereochemistry removed"]
[627,"O=C(OC1CCNCC1)c2ccccc2\n\n\n","O=C(c1ccccc1)OC1CCNCC1","O=C(OC1CCNCC1)c2ccccc2","",1,"4-Piperidinol, benzoate (ester)(1)","123202-89-1(1)","5648","Medium Reliability","Checked on PubChem"]
[628,"CN(CCOC(=O)c1ccccc1)C(C)=O\n\n\n","CN(C(=O)C)CCOC(=O)c1ccccc1","O=C(OCCN(C(=O)C)C)c1ccccc1","",1,"ACETAMIDE, N-[2-(BENZOYLOXY)ETHYL]-N-METHYL-(1)","57440-16-1(1)","4948","Medium Reliability","-"]
[629,"CNC(=O)Oc1cccc2c1OC(C)(C)C2\n\n\n","CNC(=O)Oc1cccc2c1OC(C2)(C)C","O=C(Oc2cccc1c2(OC(C)(C)C1))NC","",1,"CARBOFURAN(1)","1563-66-2(1)","2922","High Reliability","-"]
[630,"CN(C)C(=O)CCOC(=O)c1ccccc1\n\n\n","CN(C(=O)CCOC(=O)c1ccccc1)C","O=C(OCCC(=O)N(C)C)c1ccccc1","",1,"PROPANAMIDE, 3-(BENZOYLOXY)-N,N-DIMETHYL-(1)","115178-77-3(1)","5592","Medium Reliability","-"]
[631,"CCCNC(=O)COC(=O)c1ccccc1\n\n\n","CCCNC(=O)COC(=O)c1ccccc1","O=C(OCC(=O)NCCC)c1ccccc1","",1,"ACETAMIDE, 2-(BENZOYLOXY)-N-PROPYL-(1)","106231-51-0(1)","5503","Medium Reliability","-"]
[632,"CCOc1ccc(cc1)N(C(C)=O)C(C)=O\n\n\n","CCOc1ccc(cc1)N(C(=O)C)C(=O)C","O=C(N(c1ccc(OCC)cc1)C(=O)C)C","",1,"Acetamide, N-acetyl-N-(4-ethoxyphenyl)-(1)","7174-45-0(1)","3819","Medium Reliability","-"]
[633,"CC(CCC(O)=O)N=C(O)c1ccccc1\nCC(CCC(O)=O)NC(=O)c1ccccc1\n\n","CC(N=C(c1ccccc1)O)CCC(=O)O","O=C(O)CCC(N=C(O)c1ccccc1)C","",1,"Valeric acid, 4-(benzamido)-(1)","105900-63-8(1)","5494","Medium Reliability","-"]
[634,"CN(CCO)C(=O)COC(=O)c1ccccc1O\n\n\n","OCCN(C(=O)COC(=O)c1ccccc1O)C","O=C(OCC(=O)N(C)CCO)c1ccccc1(O)","",1,"BENZOIC ACID, 2-HYDROXY-, 2-[(2-HYDROXYETHYL)MET(1)","114665-09-7(1)","5583","Medium Reliability","Checked on PubChem"]
[635,"CCCCN(C)C(=O)Nc1cc(Cl)c(Cl)cc1\n\n\n","CCCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C","O=C(Nc1ccc(c(c1)Cl)Cl)N(C)CCCC","",1,"NEBURON(1)","555-37-3(1)","2148","High Reliability","-"]
[636,"CCN(CC)C(=O)SCc1ccc(Cl)cc1\n\n\n","CCN(C(=O)SCc1ccc(cc1)Cl)CC","O=C(N(CC)CC)SCc1ccc(cc1)Cl","",1,"THIOBENCARB(1)","28249-77-6(1)","4460","High Reliability","-"]
[637,"CCN(CC)C(=O)SCc1ccccc1Cl\n\n\n","CCN(C(=O)SCc1ccccc1Cl)CC","O=C(N(CC)CC)SCc1ccccc1Cl","",1,"ORBENCARB(1)","34622-58-7(1)","4592","High Reliability","-"]
[638,"CCC(N)Cc1c[nH]c2ccccc12\nCCC(N)Cc1c[nH]c2ccccc12.CC(O)=O\n\n","CCC(Cc1c[nH]c2c1cccc2)N","NC(Cc2c[nH]c1ccccc12)CC","",1,"1H-INDOLE-3-ETHANAMINE, .alpha.-ETHYL-(1)","2235-90-7(1)","3141","Medium Reliability","-"]
[639,"CCN(CC)C(C#N)c1ccccc1\n\n\n","CCN(C(c1ccccc1)C#N)CC","N#CC(c1ccccc1)N(CC)CC","",1,"Benzeneacetonitrile, .alpha.-(diethylamino)-(1)","5097-99-4(1)","3560","High Reliability","-"]
[640,"[H]C12CC(CN(C)C1)Cn3c(=O)cccc23\nCN1CC2CC(C1)c3cccc(=O)n3C2\n\n","CN1CC2CC(C1)c1n(C2)c(=O)ccc1","O=C1C=CC=C2N1CC3CN(C)CC2C3","",1,"Caulophylline(1)","486-86-2(1)","1864","High Reliability","Stereochemistry removed"]
[641,"OC(=NC1CCCCC1)c2cnccc2\nO=C(NC1CCCCC1)c2cccnc2\n\n","OC(=NC1CCCCC1)c1cccnc1","OC(=NC1CCCCC1)c2cnccc2","",1,"3-Pyridinecarboxamide, N-cyclohexyl-(1)","10354-56-0(1)","3915","High Reliability","-"]
[642,"CN(C)C(=O)c1ccc(cc1)C(=O)N(C)C\n\n\n","CN(C(=O)c1ccc(cc1)C(=O)N(C)C)C","O=C(c1ccc(cc1)C(=O)N(C)C)N(C)C","",1,"1,4-Benzenedicarboxamide, N,N,N',N'-tetramethyl-(1)","13158-31-1(1)","3957","High Reliability","-"]
[643,"CN(C)C(=O)c1cc(ccc1)C(=O)N(C)C\n\n\n","CN(C(=O)c1cccc(c1)C(=O)N(C)C)C","O=C(c1cccc(c1)C(=O)N(C)C)N(C)C","",1,"1,3-Benzenedicarboxamide, N,N,N',N'-tetramethyl-(1)","14334-36-2(1)","4029","Medium Reliability","-"]
[644,"CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2\n\n\n","CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(C2=CCCCC2)CC","",1,"CYCLOBARBITAL(1)","52-31-3(1)","59","High Reliability","-"]
[645,"CCNC(=O)C(C)OC(=O)Nc1ccccc1\n\n\n","CCNC(=O)C(OC(=O)Nc1ccccc1)C","O=C(OC(C(=O)NCC)C)Nc1ccccc1","",1,"Carbetamide(1)","16118-49-3(1)","4093","High Reliability","Stereochemistry removed"]
[646,"CC=CCC1(CC=CC)C(=O)NC(=O)NC1=O\n\n\n","CC=CCC1(CC=CC)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC=CC)CC=CC","",1,"Barbituric acid, 5,5-di-2-butenyl-(1)","14010-10-7(1)","4006","Medium Reliability","Stereochemistry removed"]
[647,"CCOP(=S)(OCC)Oc1nn(cn1)-c2ccccc2\n\n\n","CCOP(=S)(Oc1ncn(n1)c1ccccc1)OCC","n1cn(nc1OP(OCC)(OCC)=S)c2ccccc2","",1,"TRIAZOPHOS(1)","24017-47-8(1)","4354","High Reliability","-"]
[648,"CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O\n\n\n","CCOP(=S)(SCn1nnc2c(c1=O)cccc2)OCC","O=C1c2ccccc2(N=NN1CSP(OCC)(OCC)=S)","",1,"AZINPHOS ETHYL(1)","2642-71-9(1)","3268","High Reliability","-"]
[649,"CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C(C)(C)C","O=S(=O)(Nc1nnc(C(C)(C)C)s1)c2ccc(N)cc2","",1,"Glybuthiazole(1)","535-65-9(1)","2034","High Reliability","-"]
[650,"CC(CCC(O)=O)(N=NC(C)(CCC(O)=O)C#N)C#N\nCC(CCC([O-])=O)(N=NC(C)(CCC([O-])=O)C#N)C#N\n\n","N#CC(N=NC(C#N)(CCC(=O)O)C)(CCC(=O)O)C","N#CC(N=NC(C#N)(C)CCC(=O)O)(C)CCC(=O)O","",1,"4,4'-Dicyano-4,4'azo-di-valeric acid(1)","2638-94-0(1)","3267","Medium Reliability","Stereochemistry removed"]
[651,"Oc1ccc(cc1)C2CCCCC2\n\n\n","Oc1ccc(cc1)C1CCCCC1","Oc1ccc(cc1)C2CCCCC2","",1,"P-CYCLOHEXYLPHENOL(1)","1131-60-8(1)","2850","High Reliability","-"]
[652,"Oc1cc(O)c(cc1)C2CCCCC2\nOc1ccc(C2CCCCC2)c(O)c1\n\n","Oc1ccc(c(c1)O)C1CCCCC1","Oc1ccc(c(O)c1)C2CCCCC2","",1,"1,3-Benzenediol, 4-cyclohexyl-(1)","2138-20-7(1)","3105","High Reliability","-"]
[653,"OC(=O)CCCCCc1ccccc1\n\n\n","OC(=O)CCCCCc1ccccc1","O=C(O)CCCCCc1ccccc1","",1,"6-PHENYLCAPROIC ACID(1)","5581-75-9(1)","3632","Medium Reliability","-"]
[654,"CCCCCOC(=O)c1ccc(O)cc1\n\n\n","CCCCCOC(=O)c1ccc(cc1)O","O=C(OCCCCC)c1ccc(O)cc1","",1,"Benzoic acid, 4-hydroxy-, pentyl ester(1)","6521-29-5(1)","3763","High Reliability","-"]
[655,"CC(C)CCOC(=O)c1c(O)cccc1\nCC(C)CCOC(=O)c1ccccc1O\n\n","CC(CCOC(=O)c1ccccc1O)C","O=C(OCCC(C)C)c1ccccc1(O)","",1,"Benzoic acid, 2-hydroxy-, 3-methylbutyl ester(1)","87-20-7(1)","583","High Reliability","-"]
[656,"CCS(=O)(=O)Oc1cc2c(OCC2(C)C)cc1\nCCS(=O)(=O)Oc1ccc2OCC(C)(C)c2c1\n\n","CCS(=O)(=O)Oc1ccc2c(c1)C(C)(C)CO2","O=S(=O)(Oc1ccc2OCC(c2(c1))(C)C)CC","",1,"BENFURESATE(1)","68505-69-1(1)","5111","High Reliability","-"]
[657,"OCC1OC(Oc2ccccc2)C(O)C(O)C1O\n\n\n","OCC1OC(Oc2ccccc2)C(C(C1O)O)O","OCC2OC(Oc1ccccc1)C(O)C(O)C2(O)","",1,"BETA-D-GLUCOPYRANOSIDE, PHENYL(1)","1464-44-4(1)","2910","High Reliability","Stereochemistry removed"]
[658,"[Cl-].Cc1c(CCO)sc[n+]1Cc2cnc(C)nc2N\n\n\n","OCCc1sc[n+](c1C)Cc1cnc(nc1N)C","OCCc1c([n+](cs1)Cc2cnc(nc2(N))C)C","",1,"Thiamine(1)","59-43-8(1)","167","High Reliability","-"]
[659,"CCCCCCOC(=O)c1cnccc1\n\n\n","CCCCCCOC(=O)c1cccnc1","O=C(OCCCCCC)c1cnccc1","",1,"N-HEXYL NICOTINOATE(1)","23597-82-2(1)","4346","Medium Reliability","-"]
[660,"CCCCCOC(=O)c1ccc(N)cc1\n\n\n","CCCCCOC(=O)c1ccc(cc1)N","O=C(OCCCCC)c1ccc(N)cc1","",1,"BENZOIC ACID, 4-AMINO-,PENTY ESTER(1)","13110-37-7(1)","3952","Medium Reliability","-"]
[661,"CNC(=O)Oc1cc(cc(C)c1)C(C)C\n\n\n","CNC(=O)Oc1cc(C)cc(c1)C(C)C","O=C(Oc1cc(cc(c1)C(C)C)C)NC","",1,"3-I-PR-5-MEPHENYL-N-ME CARBAMATE(1)","2631-37-0(1)","3260","Medium Reliability","-"]
[662,"CN(CCCCC(O)=O)S(=O)(=O)c1ccccc1\n\n\n","CN(S(=O)(=O)c1ccccc1)CCCCC(=O)O","O=C(O)CCCCN(C)S(=O)(=O)c1ccccc1","",1,"Valeric acid, 5-(benzenesulfonyl-methyl-amino)-(1)","46855-40-7(1)","4772","Medium Reliability","-"]
[663,"CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1\n\n\n","CCOC(=O)C(c1ccccc1)SP(=S)(OC)OC","O=C(OCC)C(c1ccccc1)SP(OC)(OC)=S","",1,"FENTHOATE(1)","2597-03-7(1)","3250","High Reliability","-"]
[664,"CCCCCCc1ccccc1\n\n\n","CCCCCCc1ccccc1","c1ccc(cc1)CCCCCC","",1,"N-HEXYLBENZENE(1)","1077-16-3(1)","2816","High Reliability","-"]
[665,"Cc1c(C)c(C)c(C)c(C)c1C\n\n\n","Cc1c(C)c(C)c(c(c1C)C)C","c1(c(c(c(c(c1C)C)C)C)C)C","",1,"HEXAMETHYLBENZENE(1)","87-85-4(1)","600","High Reliability","-"]
[666,"CC(C)c1ccccc1C(C)C\n\n\n","CC(c1ccccc1C(C)C)C","c1ccc(c(c1)C(C)C)C(C)C","",1,"DIISOPROPYLBENZENE(1)","25321-09-9(1)","4391","Medium Reliability","Checked on PubChem"]
[667,"BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br\n\n\n","BrC1CCC(Br)C(Br)CCC(C(CCC1Br)Br)Br","C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br","",1,"1,2,5,6,9,10-HEXABROMOCYCLODODECANE(1)","3194-55-6(1)","3345","High Reliability","-"]
[668,"COCC(C)N(C(=O)CCl)c1c(C)scc1C\n\n\n","COCC(N(c1c(C)csc1C)C(=O)CCl)C","O=C(N(c1c(csc1C)C)C(C)COC)CCl","",1,"DIMETHENAMID(1)","87674-68-8(1)","5320","High Reliability","-"]
[669,"CCCCCCN=C(O)c1cnccc1\nCCCCCCNC(=O)c1cccnc1\n\n","CCCCCCN=C(c1cccnc1)O","OC(=NCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxamide, N-hexyl-(1)","78114-56-4(1)","5247","Medium Reliability","-"]
[670,"CC(C)c1ccc(NC(=O)N(C)C)cc1\n\n\n","O=C(N(C)C)Nc1ccc(cc1)C(C)C","O=C(Nc1ccc(cc1)C(C)C)N(C)C","",1,"ISOPROTURON(1)","34123-59-6(1)","4579","High Reliability","-"]
[671,"CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1\n\n\n","CNC(=O)Oc1cc(C)c(c(c1)C)N(C)C","O=C(Oc1cc(c(c(c1)C)N(C)C)C)NC","",1,"MEXACARBATE(1)","315-18-4(1)","1722","High Reliability","-"]
[672,"CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O\n\n\n","CCCC(C1(CC=C)C(=O)NC(=S)NC1=O)C","O=C1NC(NC(=O)C1(CC=C)C(C)CCC)=S","",1,"THIAMYLAL(1)","77-27-0(1)","414","High Reliability","-"]
[673,"CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1\n\n\n","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C","O=C(NCCCC)NS(=O)(=O)c1ccc(cc1)C","",1,"TOLBUTAMIDE(1)","64-77-7(1)","231","High Reliability","-"]
[674,"CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O\n\n\n","CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC","O=[N+]([O-])c1cc(cc(c1N(CCC)CCC)[N+](=O)[O-])S(=O)(=O)N","",1,"ORYZALIN(1)","19044-88-3(1)","4215","High Reliability","-"]
[675,"O=C1CCCCC1C2=CCCCC2\n\n\n","O=C1CCCCC1C1=CCCCC1","O=C1CCCCC1C2=CCCCC2","",1,"CYCLOHEXANONE, 2-(1-CYCLOHEXEN-1-YL)-(1)","1502-22-3(1)","2916","High Reliability","-"]
[676,"CCCCCCc1c(O)cc(O)cc1\nCCCCCCc1ccc(O)cc1O\n\n","CCCCCCc1ccc(cc1O)O","Oc1ccc(c(O)c1)CCCCCC","",1,"4-HEXYLRESORCINOL(1)","136-77-6(1)","1529","High Reliability","-"]
[677,"CNP(=O)(OC)Oc1ccc(cc1Cl)C(C)(C)C\n\n\n","CNP(=O)(Oc1ccc(cc1Cl)C(C)(C)C)OC","O=P(Oc1ccc(cc1Cl)C(C)(C)C)(OC)NC","",1,"CRUFOMATE(1)","299-86-5(1)","1700","High Reliability","-"]
[678,"CCCSP(=S)(OCC)Oc1ccc(SC)cc1\n\n\n","CCCSP(=S)(Oc1ccc(cc1)SC)OCC","O(c1ccc(cc1)SC)P(OCC)(=S)SCCC","",1,"SULPROFOS(1)","35400-43-2(1)","4613","Medium Reliability","-"]
[679,"CCCCC1(CCCC)C(=O)NC(=O)NC1=O\n\n\n","CCCCC1(CCCC)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CCCC)CCCC","",1,"barbituricacid,5,5-dibutyl-(1)","17013-41-1(1)","4128","Medium Reliability","Name verified in PubChem"]
[680,"CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C\n\n\n","O=c1nc(N(C)C)n(c(=O)n1C1CCCCC1)C","O=C1N=C(N(C(=O)N1C2CCCCC2)C)N(C)C","",1,"HEXAZINONE(1)","51235-04-2(1)","4806","Medium Reliability","-"]
[681,"CSc1nnc(c(=O)n1N=CC(C)C)C(C)(C)C\n\n\n","CSc1nnc(c(=O)n1N=CC(C)C)C(C)(C)C","O=C1C(=NN=C(N1(N=CC(C)C))SC)C(C)(C)C","",1,"Isomethiozin(1)","57052-04-7(1)","4939","High Reliability","Stereochemistry removed"]
[682,"OCC1OC2(COC3(CO2)OC(CO)C(O)C3O)C(O)C1O\n\n\n","OCC1OC2(C(C1O)O)COC1(CO2)OC(C(C1O)O)CO","OCC3OC1(OCC2(OC1)(OC(CO)C(O)C2(O)))C(O)C3(O)","",1,"Di-D-fructofuranose 1,2':2,1'-dianhydride(1)","3568-49-8(1)","3397","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[683,"CCCCOC(=O)C=CC(=O)OCCCC\n\n\n","CCCCOC(=O)C=CC(=O)OCCCC","O=C(OCCCC)C=CC(=O)OCCCC","",1,"DIBUTYL MALEATE(1)","105-76-0(1)","984","High Reliability","Stereochemistry removed"]
[684,"CCC(=O)OCC(COC(=O)CC)OC(=O)CC\n\n\n","CCC(=O)OC(COC(=O)CC)COC(=O)CC","O=C(OCC(OC(=O)CC)COC(=O)CC)CC","",1,"TRIPROPIONIN(1)","139-45-7(1)","1546","High Reliability","-"]
[685,"CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC\n\n\n","CCOC(=O)C(CC(=O)OCC)(CC(=O)OCC)O","O=C(OCC)CC(O)(C(=O)OCC)CC(=O)OCC","",1,"TRIETHYL CITRATE(1)","77-93-0(1)","428","High Reliability","-"]
[686,"CCOP(=S)(OCC)Oc1nc(nc(C)c1)C(C)C\nCCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C\n\n","CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC","n1c(OP(OCC)(OCC)=S)cc(nc1C(C)C)C","",1,"DIAZINON(1)","333-41-5(1)","1741","Medium Reliability","-"]
[687,"CCCc1nc(CCC)c(CC)c(=N)[nH]1\nCCCc1nc(N)c(CC)c(CCC)n1\n\n","CCCc1nc(CCC)c(c(=N)[nH]1)CC","N=C1NC(=NC(=C1CC)CCC)CCC","",1,"4-Pyrimidinamine, 5-ethyl-2,6-dipropyl-(1)","109217-08-5(1)","5552","Medium Reliability","-"]
[688,"CCCCCCN1CC(CC1=O)C(=O)OC\n\n\n","CCCCCCN1CC(CC1=O)C(=O)OC","O=C(OC)C1CC(=O)N(CCCCCC)C1","",1,"1-HEXYL-4-METHOXYCARBONYL-2-PYRROLIDONE(1)","71548-53-3(1)","5162","High Reliability","Checked on PubChem, Checked on ChemID"]
[689,"COC(CN(C)C(=O)Nc1nnc(s1)C(C)(C)C)OC\n\n\n","COC(CN(C(=O)Nc1nnc(s1)C(C)(C)C)C)OC","O=C(Nc1nnc(C(C)(C)C)s1)N(C)CC(OC)OC","",1,"VEL 3510(1)","51461-71-3(1)","4812","High Reliability","-"]
[690,"OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O\n\n\n","OCC1OC(OCC2OC(O)C(C(C2O)O)O)C(C(C1O)O)O","OCC2OC(OCC1OC(O)C(O)C(O)C1(O))C(O)C(O)C2(O)","",1,"MELIBIOSE(1)","585-99-9(1)","2255","Medium Reliability","Checked on PubChem"]
[691,"[H]C1(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)OC1CO\nOCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O\nOCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O\n","OCC1OC(O)C(C(C1OC1OC(CO)C(C(C1O)O)O)O)O","OCC2OC(OC1C(O)C(O)C(O)OC1(CO))C(O)C(O)C2(O)","",3,"LACTOSE(1), MALTOSE(1), .beta.-d-glucopyranose,4-o-.beta.-d-galactopyra(1)","63-42-3(1), 69-79-4(1), 5965-66-2(1)","218, 270, 3687","High Reliability","Stereochemistry removed, Manual Check passed"]
[692,"OCC1OC(O)(CO)C(O)C1OC2OC(CO)C(O)C(O)C2O\n\n\n","OCC1OC(C(C1OC1OC(CO)C(C(C1O)O)O)O)(O)CO","OCC2OC(OC1C(OC(O)(CO)C1(O))CO)C(O)C(O)C2(O)","",1,"LACTULOSE(1)","4618-18-2(1)","3516","High Reliability","Stereochemistry removed"]
[693,"OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O\n\n\n","OCC1OC(C(C1O)O)(CO)OC1OC(CO)C(C(C1O)O)O","OCC2OC(OC1(OC(CO)C(O)C1(O))(CO))C(O)C(O)C2(O)","",1,"SUCROSE(1)","57-50-1(1)","129","High Reliability","Stereochemistry removed"]
[694,"CC(C)(CCC(C)(C)CC(O)=O)CC(O)=O\n\n\n","OC(=O)CC(CCC(CC(=O)O)(C)C)(C)C","O=C(O)CC(C)(C)CCC(C)(C)CC(=O)O","",1,"Octanedioic acid, 3,3,6,6-tetramethyl-(1)","23578-38-3(1)","4345","Medium Reliability","-"]
[695,"COC(=O)CCCCCCCCC(=O)OC\n\n\n","COC(=O)CCCCCCCCC(=O)OC","O=C(OC)CCCCCCCCC(=O)OC","",1,"Decanedioic acid, dimethyl ester(1)","106-79-6(1)","1012","High Reliability","-"]
[696,"CCCCCCCCCC(C(O)=O)C(O)=O\n\n\n","CCCCCCCCCC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)CCCCCCCCC","",1,"Propanedioic acid, nonyl-(1)","3578-47-0(1)","3401","Medium Reliability","-"]
[697,"CCOC(=O)CCCCCCC(=O)OCC\n\n\n","CCOC(=O)CCCCCCC(=O)OCC","O=C(OCC)CCCCCCC(=O)OCC","",1,"DIETHYL SUBERATE(1)","2050-23-9(1)","3077","High Reliability","-"]
[698,"CCCCOC(=O)CCC(=O)OCCCC\n\n\n","CCCCOC(=O)CCC(=O)OCCCC","O=C(OCCCC)CCC(=O)OCCCC","",1,"Butanedioic acid, dibutyl ester(1)","141-03-7(1)","1561","High Reliability","-"]
[699,"CCC(CC)(C(O)=O)C(CC)(CC)C(O)=O\n\n\n","CCC(C(C(=O)O)(CC)CC)(C(=O)O)CC","O=C(O)C(CC)(CC)C(C(=O)O)(CC)CC","",1,"Butanedioic acid, tetraethyl-(1)","4111-60-8(1)","3461","Medium Reliability","Checked on PubChem"]
[700,"OC(=O)CCCCCCCCCCC(O)=O\n\n\n","OC(=O)CCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCC(=O)O","",1,"Dodecanedioic acid(1)","693-23-2(1)","2637","High Reliability","-"]
[701,"CCCCOC(=O)CC(O)C(=O)OCCCC\n\n\n","CCCCOC(=O)CC(C(=O)OCCCC)O","O=C(OCCCC)CC(O)C(=O)OCCCC","",1,"Malic acid dibutyl ester(1)","1587-18-4(1)","2935","Medium Reliability","-"]
[702,"COCCOC(=O)CCCCC(=O)OCCOC\n\n\n","COCCOC(=O)CCCCC(=O)OCCOC","O=C(OCCOC)CCCCC(=O)OCCOC","",1,"Hexanedioic acid, bis(2-methoxyethyl) ester(1)","106-00-3(1)","985","High Reliability","-"]
[703,"O=C1CCCCCCCCCCCN1\n\n\n","O=C1CCCCCCCCCCCN1","O=C1NCCCCCCCCCCC1","",1,"AZACYCLOTRIDECAN-2-ONE(1)","947-04-6(1)","2769","High Reliability","-"]
[704,"CCCN(CCC)C(=O)CCC(=O)OCC\n\n\n","CCCN(C(=O)CCC(=O)OCC)CCC","O=C(OCC)CCC(=O)N(CCC)CCC","",1,"Succinamic acid, N,N'-dipropyl-, ethyl ester(1)","10143-31-4(1)","3903","Medium Reliability","-"]
[705,"C(CN1CCCCC1)N2CCCCC2\n\n\n","C1CCN(CC1)CCN1CCCCC1","N2(CCN1CCCCC1)CCCCC2","",1,"Piperidine, 1,1'-(1,2-ethanediyl)bis-(1)","1932-04-3(1)","3041","High Reliability","-"]
[706,"CCCCC(=O)NCCNC(=O)CCCC\n\n\n","CCCCC(=O)NCCNC(=O)CCCC","O=C(NCCNC(=O)CCCC)CCCC","",1,"Pentanamide, N,N'-1,2-ethanediylbis-(1)","54535-60-3(1)","4892","High Reliability","-"]
[707,"CCCC(C)(COC(N)=O)COC(=O)NC(C)C\n\n\n","CCCC(COC(=O)N)(COC(=O)NC(C)C)C","O=C(OCC(C)(COC(=O)NC(C)C)CCC)N","",1,"Carisoprodol(1)","78-44-4(1)","435","High Reliability","-"]
[708,"OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO\n\n\n","OCC(C(C(C(CO)O)O)OC1OC(CO)C(C(C1O)O)O)O","OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1(O))C(O)CO","",1,"Lactitol(1)","585-86-4(1)","2254","High Reliability","Stereochemistry removed"]
[709,"CCCCCCCCCCCC(O)=O\n\n\n","CCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCC","",1,"DODECANOIC ACID(1)","143-07-7(1)","1592","High Reliability","-"]
[710,"CCCCCCCCCC(=O)OCC\n\n\n","CCCCCCCCCC(=O)OCC","O=C(OCC)CCCCCCCCC","",1,"ETHYL DECANOATE(1)","110-38-3(1)","1168","High Reliability","-"]
[711,"CCCCCCCCCCCC\n\n\n","CCCCCCCCCCCC","CCCCCCCCCCCC","",1,"DODECANE(1)","112-40-3(1)","1254","High Reliability","-"]
[712,"CCCCCCCCCCCCO\n\n\n","CCCCCCCCCCCCO","OCCCCCCCCCCCC","",1,"DODECANOL(1)","112-53-8(1)","1258","High Reliability","-"]
[713,"CCCCOCCOCCOCCCC\n\n\n","CCCCOCCOCCOCCCC","O(CCOCCCC)CCOCCCC","",1,"DIETHYLENE GLYCOL DIBUTYL ETHER(1)","112-73-2(1)","1264","High Reliability","-"]
[714,"CCC(CO)(CO)COCC(CC)(CO)CO\n\n\n","CCC(COCC(CO)(CO)CC)(CO)CO","OCC(CO)(COCC(CO)(CO)CC)CC","",1,"DI(TRIMETHYLOLPROPANE)(1)","23235-61-2(1)","4340","High Reliability","-"]
[715,"CCCCCCCCCCCCN\n\n\n","CCCCCCCCCCCCN","NCCCCCCCCCCCC","",1,"N-DODECYLAMINE(1)","124-22-1(1)","1444","High Reliability","-"]
[716,"CCCCCCNCCCCCC\n\n\n","CCCCCCNCCCCCC","N(CCCCCC)CCCCCC","",1,"1-Hexanamine, N-hexyl-(1)","143-16-8(1)","1594","High Reliability","-"]
[717,"CCCCN(CCCC)CCCC\n\n\n","CCCCN(CCCC)CCCC","N(CCCC)(CCCC)CCCC","",1,"TRI N-BUTYLAMINE(1)","102-82-9(1)","925","Medium Reliability","-"]
[718,"CCC(O)CN(CC(O)CC)CC(O)CC\n\n\n","CCC(CN(CC(CC)O)CC(CC)O)O","OC(CN(CC(O)CC)CC(O)CC)CC","",1,"Tri-sec-butanolamine(1)","2421-02-5(1)","3197","High Reliability","Checked on PubChem, Checked on ChemID"]
[719,"CCOC(CNCC(OCC)OCC)OCC\n\n\n","CCOC(CNCC(OCC)OCC)OCC","O(CC)C(OCC)CNCC(OCC)OCC","",1,"Ethanamine, N-(2,2-diethoxyethyl)-2,2-diethoxy-(1)","67856-69-3(1)","5091","High Reliability","-"]
[720,"CCCCOP(=O)(CCCC)CCCC\n\n\n","CCCCOP(=O)(CCCC)CCCC","O=P(OCCCC)(CCCC)CCCC","",1,"Phosphinic acid, dibutyl-, butyl ester(1)","2950-47-2(1)","3302","Medium Reliability","-"]
[721,"CCCCOP(=O)(CCCC)OCCCC\n\n\n","CCCCP(=O)(OCCCC)OCCCC","O=P(OCCCC)(OCCCC)CCCC","",1,"DIBUTYL BUTYLPHOSPHONATE(1)","78-46-6(1)","436","High Reliability","-"]
[722,"CCCCOP(=O)(OCCCC)OCCCC\n\n\n","CCCCOP(=O)(OCCCC)OCCCC","O=P(OCCCC)(OCCCC)OCCCC","",1,"TRIBUTYLPHOSPHATE(1)","126-73-8(1)","1463","High Reliability","-"]
[723,"CCCCP(=O)(CCCC)CCCC\n\n\n","CCCCP(=O)(CCCC)CCCC","O=P(CCCC)(CCCC)CCCC","",1,"Tributylphosphine Oxide(1)","814-29-9(1)","2694","High Reliability","-"]
[724,"CCCCSP(=O)(SCCCC)SCCCC\n\n\n","CCCCSP(=O)(SCCCC)SCCCC","O=P(SCCCC)(SCCCC)SCCCC","",1,"TRIBUFOS(1)","78-48-8(1)","437","High Reliability","-"]
[725,"CCN(CC)CCSCCN(CC)CC\n\n\n","CCN(CCSCCN(CC)CC)CC","N(CC)(CC)CCSCCN(CC)CC","",1,"Ethanamine, 2,2'-thiobis[N,N-diethyl-(1)","6006-58-2(1)","3689","High Reliability","-"]
[726,"Brc1ccc(c(Br)c1Br)-c2c(Br)c(Br)c(Br)c(Br)c2Br\n\n\n","Brc1ccc(c(c1Br)Br)c1c(Br)c(Br)c(c(c1Br)Br)Br","c1cc(c(c(c1c2c(c(c(c(c2Br)Br)Br)Br)Br)Br)Br)Br","",1,"1,1'-Biphenyl, Octabromo-(1)","27858-07-7(1)","4453","Medium Reliability","Checked on ChemID"]
[727,"Clc1c(Cl)cc2Oc3c(Oc2c1)c(Cl)c(Cl)c(Cl)c3Cl\nClc1cc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2cc1Cl\n\n","Clc1cc2Oc3c(Oc2cc1Cl)c(Cl)c(c(c3Cl)Cl)Cl","O1c3cc(c(cc3(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl))Cl)Cl","",1,"1,2,3,4,7,8-HEXACHLORODIBENZO-P-DIOXIN(1)","39227-28-6(1)","4706","High Reliability","-"]
[728,"Clc1ccc(Cl)c(c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n\n","Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)c1c(Cl)ccc(c1Cl)Cl","c2cc(c(c(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,3',4,5,6,6'-octachloro-(1)","52663-73-7(1)","4851","High Reliability","-"]
[729,"Clc1cc(Cl)c(Cl)c(c1Cl)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1c(Cl)cc(c(c1c1c(Cl)c(Cl)cc(c1Cl)Cl)Cl)Cl","c2c(c(c(c1c(c(cc(c1Cl)Cl)Cl)Cl)c(c2Cl)Cl)Cl)Cl","",1,"2,2',3,3',5,5',6,6'-OCTACHLOROBIPHENYL(1)","2136-99-4(1)","3104","High Reliability","-"]
[730,"Clc1cc(Cl)c(c(Cl)c1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n\n","Clc1cc(Cl)c(c(c1)Cl)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl","c2c(cc(c(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,4,4',5,6,6'-octachloro-(1)","74472-52-9(1)","5206","High Reliability","-"]
[731,"Clc1cc(c(Cl)c(Cl)c1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\nClc1cc(Cl)c(Cl)c(c1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl","c2c(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c(c(cc2Cl)Cl)Cl","",1,"2,2',3,3',4,5,5',6-OCTACHLOROBIPHENYL(1)","68194-17-2(1)","5107","High Reliability","-"]
[732,"Clc1cc(Cl)c(Cl)c(Cl)c1-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1cc(Cl)c(c(Cl)c1Cl)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1c1c(Cl)cc(c(c1Cl)Cl)Cl)Cl)Cl","c2c(c(c1c(cc(c(c1Cl)Cl)Cl)Cl)c(c(c2Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,3',4,4',6,6'-octachloro-(1)","33091-17-7(1)","4555","High Reliability","-"]
[733,"Clc1cc(Cl)c(Cl)c(c1Cl)-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1cc(Cl)c(c(Cl)c1Cl)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1Cl)Cl)c1c(Cl)c(Cl)cc(c1Cl)Cl","c2c(c(c1c(c(cc(c1Cl)Cl)Cl)Cl)c(c(c2Cl)Cl)Cl)Cl","",1,"2,2',3,3',4,5',6,6'-OCTACHLOROBIPHENYL(1)","40186-71-8(1)","4728","High Reliability","-"]
[734,"Clc1cc(cc(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n\n","Clc1c(Cl)cc(cc1Cl)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl","c1c(cc(c(c1Cl)Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,3',4,4',5,5',6-octachloro-(1)","74472-53-0(1)","5207","High Reliability","-"]
[735,"Clc1cc(c(Cl)c(Cl)c1Cl)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1c(Cl)cc(c(c1Cl)Cl)c1c(Cl)c(Cl)cc(c1Cl)Cl","c2c(c1c(c(cc(c1Cl)Cl)Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl","",1,"2,2',3,3',4,5,5',6'-OCTACHLOROBIPHENYL(1)","52663-75-9(1)","4853","High Reliability","-"]
[736,"Clc1c(Cl)c(Cl)c(cc1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\nClc1ccc(c(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1ccc(c(c1Cl)Cl)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl","c1cc(c(c(c1c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,3',4,4',5,6-OCTACHLOROBIPHENYL(1)","52663-78-2(1)","4856","High Reliability","-"]
[737,"Clc1cc(Cl)c(cc1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n\n","Clc1cc(Cl)c(cc1c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl","c2c(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c(cc(c2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,4,4',5,5',6-octachloro-(1)","52663-76-0(1)","4854","High Reliability","-"]
[738,"Clc1cc(c(Cl)c(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1cc(Cl)c(c(Cl)c1Cl)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1c1cc(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl","c2c(c1c(cc(c(c1Cl)Cl)Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl","",1,"2,2',3,3',4,4',5,6'-OCTACHLOROBIPHENYL(1)","42740-50-1(1)","4765","High Reliability","-"]
[739,"Clc1cc(c(Cl)c(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2\nClc1cc(c(Cl)c(Cl)c1Cl)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1cc(c(c(c1Cl)Cl)Cl)c1cc(Cl)c(c(c1Cl)Cl)Cl","c2c(c1cc(c(c(c1Cl)Cl)Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl","",1,"2,2',3,3',4,4',5,5'-OCTACHLOROBIPHENYL(1)","35694-08-7(1)","4620","High Reliability","-"]
[740,"CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC\n\n\n","CCOP(=O)(OP(=O)(OCC)OCC)OP(=O)(OP(=O)(OCC)OCC)OCC","O=P(OCC)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC","",1,"HEXAETHYL TETRAPHOSPHATE(1)","757-58-4(1)","2669","High Reliability","Checked on PubChem, Checked on ChemID"]
[741,"Clc1cc2c(cc1Cl)c3c(o2)c(Cl)c(Cl)c(Cl)c3\nClc1cc2oc3c(Cl)c(Cl)c(Cl)cc3c2cc1Cl\n\n","Clc1cc2c(cc1Cl)oc1c2cc(Cl)c(c1Cl)Cl","o2c1cc(c(cc1c3cc(c(c(c23)Cl)Cl)Cl)Cl)Cl","",1,"2,3,4,7,8-PENTACHLORODIBENZOFURAN(1)","57117-31-4(1)","4941","High Reliability","-"]
[742,"Clc1ccc2Oc3c(Oc2c1)c(Cl)c(Cl)c(Cl)c3Cl\nClc1ccc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2c1\n\n","Clc1ccc2c(c1)Oc1c(O2)c(Cl)c(c(c1Cl)Cl)Cl","O1c3ccc(cc3(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl))Cl","",1,"1,2,3,4,7-PENTACHLORODIBENZO-P-DIOXIN(1)","39227-61-7(1)","4710","High Reliability","-"]
[743,"Clc1ccc(Cl)c(c1Cl)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1c(Cl)cc(c(c1c1c(Cl)ccc(c1Cl)Cl)Cl)Cl","c2cc(c(c(c1c(c(cc(c1Cl)Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"2,2',3,3',5,6,6'-HEPTACHLOROBIPHENYL(1)","52663-64-6(1)","4843","High Reliability","-"]
[744,"Clc1cc(Cl)c(Cl)c(Cl)c1-c2c(Cl)ccc(Cl)c2Cl\nClc1ccc(Cl)c(c1Cl)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1Cl)Cl)c1c(Cl)ccc(c1Cl)Cl","c2cc(c(c(c1c(cc(c(c1Cl)Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,3',4,6,6'-heptachloro-(1)","52663-65-7(1)","4844","High Reliability","-"]
[745,"Clc1cc(Cl)c(cc1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\nClc1ccc(c(Cl)c1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1ccc(c(c1)Cl)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl","c1cc(cc(c1c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,4,4',5,6-heptachloro-(1)","74472-47-2(1)","5203","High Reliability","-"]
[746,"Clc1cc(c(Cl)cc1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\nClc1ccc(Cl)c(c1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1ccc(c(c1)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl","c1cc(c(cc1Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,4,5,5',6-HEPTACHLOROBIPHENYL(1)","52712-05-7(1)","4860","High Reliability","-"]
[747,"Clc1cc(c(Cl)c(Cl)c1)-c2c(Cl)c(Cl)cc(Cl)c2Cl\nClc1cc(Cl)c(Cl)c(c1)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1)c1c(Cl)c(Cl)cc(c1Cl)Cl)Cl","c2c(c1c(c(cc(c1Cl)Cl)Cl)Cl)c(c(cc2Cl)Cl)Cl","",1,"2,2',3,3',5,5',6-HEPTACHLOROBIPHENYL(1)","52663-67-9(1)","4845","High Reliability","-"]
[748,"Clc1cc(Cl)c(Cl)c(c1)-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1cc(Cl)c(Cl)c(c1)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1)c1c(Cl)cc(c(c1Cl)Cl)Cl)Cl","c2c(c1c(cc(c(c1Cl)Cl)Cl)Cl)c(c(cc2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,3',4,5',6-heptachloro-(1)","40186-70-7(1)","4727","High Reliability","-"]
[749,"Clc1cc(Cl)c(c(Cl)c1)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1cc(Cl)c(c(c1)Cl)c1c(Cl)c(Cl)cc(c1Cl)Cl","c2c(cc(c(c1c(c(cc(c1Cl)Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,4',5,6'-heptachloro-(1)","74487-85-7(1)","5208","Medium Reliability","-"]
[750,"Clc1cc(c(Cl)c(Cl)c1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2\nClc1cc(Cl)c(Cl)c(c1)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1)c1cc(Cl)c(c(c1Cl)Cl)Cl)Cl","c2c(c1cc(c(c(c1Cl)Cl)Cl)Cl)c(c(cc2Cl)Cl)Cl","",1,"2,2',3,3',4,5,5'-HEPTACHLOROBIPHENYL(1)","52663-74-8(1)","4852","High Reliability","-"]
[751,"Clc1cc(Cl)c(c(Cl)c1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2\nClc1cc(Cl)c(c(Cl)c1)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1)Cl)c1cc(Cl)c(c(c1Cl)Cl)Cl","c2c(c1c(cc(cc1Cl)Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,4,4',5,6'-heptachloro-(1)","60145-23-5(1)","4980","High Reliability","-"]
[752,"Clc1ccc(Cl)c(c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2\nClc1ccc(Cl)c(c1Cl)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1c(Cl)cc(c(c1Cl)Cl)c1c(Cl)ccc(c1Cl)Cl","c2cc(c(c(c1cc(c(c(c1Cl)Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"2,2',3,3',4,5,6'-HEPTACHLOROBIPHENYL(1)","38411-25-5(1)","4676","High Reliability","-"]
[753,"Clc1cc(cc(Cl)c1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n\n","Clc1cc(Cl)cc(c1)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl","c1c(cc(cc1Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,3',4,5,5',6-heptachloro-(1)","74472-51-8(1)","5205","High Reliability","-"]
[754,"Clc1cc(Cl)c(Cl)c(Cl)c1-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(c(Cl)c1Cl)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1c(Cl)cc(c(c1Cl)c1ccc(c(c1Cl)Cl)Cl)Cl","c1cc(c(c(c1c2c(cc(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,3',4,4',6-HEPTACHLOROBIPHENYL(1)","52663-71-5(1)","4849","High Reliability","-"]
[755,"Clc1cc(Cl)c(Cl)c(c1Cl)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(c(Cl)c1Cl)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n","Clc1ccc(c(c1Cl)Cl)c1c(Cl)c(Cl)cc(c1Cl)Cl","c1cc(c(c(c1c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,3',4,5',6'-heptachloro-(1)","52663-70-4(1)","4848","High Reliability","-"]
[756,"Clc1cc(Cl)c(cc1Cl)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1cc(Cl)c(cc1c1c(Cl)c(Cl)cc(c1Cl)Cl)Cl","c2c(c1c(c(cc(c1Cl)Cl)Cl)Cl)c(cc(c2Cl)Cl)Cl","",1,"2,2',3,4',5,5',6-HEPTACHLOROBIPHENYL(1)","52663-68-0(1)","4846","High Reliability","-"]
[757,"Clc1cc(Cl)c(cc1Cl)-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1cc(Cl)c(cc1Cl)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(cc1c1c(Cl)cc(c(c1Cl)Cl)Cl)Cl","c2c(c1c(cc(c(c1Cl)Cl)Cl)Cl)c(cc(c2Cl)Cl)Cl","",1,"2,2',3,4,4',5',6-Heptachlorobiphenyl(1)","52663-69-1(1)","4847","High Reliability","-"]
[758,"Clc1cc(cc(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)c1Cl\n\n","Clc1cc(Cl)c(c(c1c1cc(Cl)c(c(c1)Cl)Cl)Cl)Cl","c1c(cc(c(c1Cl)Cl)Cl)c2c(cc(c(c2Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,3',4,4',5',6-heptachloro-(1)","74472-50-7(1)","5204","High Reliability","-"]
[759,"Clc1cc(cc(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2\nClc1cc(cc(Cl)c1Cl)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1cc(cc(c1Cl)Cl)c1cc(Cl)c(c(c1Cl)Cl)Cl","c1c(cc(c(c1Cl)Cl)Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,3',4,4',5,5'-heptachloro-(1)","39635-31-9(1)","4719","High Reliability","-"]
[760,"Clc1cc(c(Cl)c(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(c(Cl)c1Cl)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1c(Cl)ccc(c1Cl)c1cc(Cl)c(c(c1Cl)Cl)Cl","c1cc(c(c(c1c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,3',4,4',5-HEPTACHLOROBIPHENYL(1)","35065-30-6(1)","4607","High Reliability","-"]
[761,"Clc1cc(Cl)c(cc1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2\nClc1cc(Cl)c(cc1Cl)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(cc1c1cc(Cl)c(c(c1Cl)Cl)Cl)Cl","c2c(c1cc(c(c(c1Cl)Cl)Cl)Cl)c(cc(c2Cl)Cl)Cl","",1,"2,2',3,4,4',5,5'-HEPTACHLOROBIPHENYL(1)","35065-29-3(1)","4606","High Reliability","-"]
[762,"Brc1cc2c(cc1Br)c3c(o2)cc(Br)c(Br)c3\nBrc1cc2oc3cc(Br)c(Br)cc3c2cc1Br\n\n","Brc1cc2c(cc1Br)oc1c2cc(Br)c(c1)Br","o2c1cc(c(cc1c3cc(c(cc23)Br)Br)Br)Br","",1,"Dibenzofuran, 2,3,7,8-tetrabromo-(1)","67733-57-7(1)","5086","High Reliability","-"]
[763,"Nc1c(c(nn1-c2c(Cl)cc(cc2Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F\n\n\n","N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F","N#Cc1nn(c(N)c1S(=O)C(F)(F)F)c2c(cc(cc2Cl)C(F)(F)F)Cl","",1,"Fipronil(1)","120068-37-3(1)","5636","Medium Reliability","-"]
[764,"Clc1cc2c(cc1Cl)c3cc(Cl)c(Cl)cc3o2\n\n\n","Clc1cc2c(cc1Cl)oc1c2cc(Cl)c(c1)Cl","o2c1cc(c(cc1c3cc(c(cc23)Cl)Cl)Cl)Cl","",1,"2,3,7,8-TETRACHLORODIBENZOFURAN(1)","51207-31-9(1)","4803","High Reliability","-"]
[765,"Clc1cc2c(Oc3c(Cl)c(Cl)c(Cl)cc3O2)cc1\n\n\n","Clc1ccc2c(c1)Oc1c(O2)c(Cl)c(c(c1)Cl)Cl","O1c3cc(ccc3(Oc2c1cc(c(c2Cl)Cl)Cl))Cl","",1,"1,2,3,7-TETRACHLORODIBENZODIOXIN(1)","67028-18-6(1)","5073","High Reliability","-"]
[766,"Clc1cc(Cl)c2Oc3cc(Cl)cc(Cl)c3Oc2c1\n\n\n","Clc1cc(Cl)c2c(c1)Oc1c(O2)cc(cc1Cl)Cl","O1c3cc(cc(c3(Oc2cc(cc(c12)Cl)Cl))Cl)Cl","",1,"1,3,6,8-TETRACHLORODIBENZO-P-DIOXIN(1)","33423-92-6(1)","4565","High Reliability","Checked on PubChem, Checked on ChemID"]
[767,"Clc1cc2c(Oc3c(O2)cc(Cl)c(Cl)c3)cc1Cl\n\n\n","Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl","O1c3cc(c(cc3(Oc2cc(c(cc12)Cl)Cl))Cl)Cl","",1,"2,3,7,8-TETRACHLORODIBENZO-P-DIOXIN(1)","1746-01-6(1)","2978","High Reliability","-"]
[768,"Clc1c(Cl)c2c(Oc3ccccc3O2)c(Cl)c1Cl\n\n\n","Clc1c2Oc3ccccc3Oc2c(c(c1Cl)Cl)Cl","O1c3ccccc3(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl)","",1,"1,2,3,4-TETRACHLORODIBENZO-P-DIOXIN(1)","30746-58-8(1)","4512","High Reliability","-"]
[769,"Clc1cc(Cl)c(c(Cl)c1)-c2c(Cl)cc(Cl)c(Cl)c2\nClc1cc(Cl)c(c(Cl)c1)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1cc(Cl)c(c(c1)Cl)c1cc(Cl)c(cc1Cl)Cl","c2c(c1c(cc(cc1Cl)Cl)Cl)c(cc(c2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',4,4',5,6'-hexachloro-(1)","60145-22-4(1)","4979","High Reliability","-"]
[770,"Clc1ccc(c(Cl)c1)-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1ccc(c(Cl)c1)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1ccc(c(c1)Cl)c1c(Cl)cc(c(c1Cl)Cl)Cl","c1cc(cc(c1c2c(cc(c(c2Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,4,4',6-Hexachlorobiphenyl(1)","56030-56-9(1)","4926","High Reliability","-"]
[771,"Clc1cc(c(Cl)cc1)-c2c(Cl)c(Cl)cc(Cl)c2Cl\nClc1ccc(Cl)c(c1)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n","Clc1ccc(c(c1)c1c(Cl)c(Cl)cc(c1Cl)Cl)Cl","c1cc(c(cc1Cl)c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,5,5',6-HEXACHLOROBIPHENYL(1)","52663-63-5(1)","4842","High Reliability","-"]
[772,"Clc1cc(c(Cl)cc1)-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1ccc(Cl)c(c1)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1ccc(c(c1)c1c(Cl)cc(c(c1Cl)Cl)Cl)Cl","c1cc(c(cc1Cl)c2c(cc(c(c2Cl)Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,4,5',6-hexachloro-(1)","68194-14-9(1)","5105","High Reliability","-"]
[773,"Clc1cc(c(Cl)cc1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2\nClc1ccc(Cl)c(c1)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1ccc(c(c1)c1cc(Cl)c(c(c1Cl)Cl)Cl)Cl","c1cc(c(cc1Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,4,5,5'-HEXACHLOROBIPHENYL(1)","52712-04-6(1)","4859","High Reliability","-"]
[774,"Clc1ccc(Cl)c(c1Cl)-c2c(Cl)c(Cl)ccc2Cl\nClc1ccc(Cl)c(c1Cl)-c2c(Cl)ccc(Cl)c2Cl\n\n","Clc1ccc(c(c1c1c(Cl)ccc(c1Cl)Cl)Cl)Cl","c2cc(c(c(c1c(ccc(c1Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"2,2',3,3',6,6'-HEXACHLOROBIPHENYL(1)","38411-22-2(1)","4675","High Reliability","-"]
[775,"Clc1cc(c(Cl)c(Cl)c1)-c2c(Cl)cc(Cl)c(Cl)c2\nClc1cc(Cl)c(Cl)c(c1)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1cc(Cl)c(c(c1)c1cc(Cl)c(cc1Cl)Cl)Cl","c2c(c1cc(c(cc1Cl)Cl)Cl)c(c(cc2Cl)Cl)Cl","",1,"2,2',3,4',5,5'-HEXACHLOROBIPHENYL(1)","51908-16-8(1)","4822","High Reliability","-"]
[776,"Clc1cc(Cl)c(c(Cl)c1)-c2c(Cl)cc(Cl)cc2Cl\n\n\n","Clc1cc(Cl)cc(c1c1c(Cl)cc(cc1Cl)Cl)Cl","c2c(cc(c(c1c(cc(cc1Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"2,2',4,4',6,6'-PCB(1)","33979-03-2(1)","4575","Medium Reliability","-"]
[777,"Clc1cc(c(Cl)c(Cl)c1)-c2c(Cl)c(Cl)ccc2Cl\nClc1cc(Cl)c(Cl)c(c1)-c2c(Cl)ccc(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1)c1c(Cl)ccc(c1Cl)Cl)Cl","c2cc(c(c(c1cc(cc(c1Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"2,2',3,3',5,6'-HEXACHLOROBIPHENYL(1)","52744-13-5(1)","4861","High Reliability","-"]
[778,"Clc1cc(Cl)c(c(Cl)c1)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1cc(Cl)c(c(Cl)c1)-c2ccc(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1)Cl)c1ccc(c(c1Cl)Cl)Cl","c1cc(c(c(c1c2c(cc(cc2Cl)Cl)Cl)Cl)Cl)Cl","",1,"Biphenyl, 2,2',3,4,4',6'-hexachloro-(1)","59291-64-4(1)","4972","Medium Reliability","-"]
[779,"Clc1ccc(Cl)c(c1Cl)-c2cc(Cl)c(Cl)c(Cl)c2\n\n\n","Clc1cc(cc(c1Cl)Cl)c1c(Cl)ccc(c1Cl)Cl","c2cc(c(c(c1cc(c(c(c1)Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,3',4',5',6-hexachloro-(1)","74472-45-0(1)","5201","High Reliability","-"]
[780,"Clc1cc(Cl)c(cc1Cl)-c2c(Cl)c(Cl)ccc2Cl\nClc1ccc(Cl)c(c1Cl)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1cc(Cl)c(cc1c1c(Cl)ccc(c1Cl)Cl)Cl","c2cc(c(c(c1cc(c(cc1Cl)Cl)Cl)c2Cl)Cl)Cl","",1,"2,2',3,4',5',6-PCB(1)","38380-04-0(1)","4671","Medium Reliability","-"]
[781,"Clc1cc(cc(Cl)c1)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1cc(Cl)cc(c1)c1c(Cl)c(Cl)cc(c1Cl)Cl","c1c(cc(cc1Cl)Cl)c2c(c(cc(c2Cl)Cl)Cl)Cl","",1,"2,3,3',5,5',6-HEXACHLOROBIPHENYL(1)","74472-46-1(1)","5202","High Reliability","-"]
[782,"Clc1cc(c(Cl)c(Cl)c1Cl)-c2c(Cl)cccc2Cl\n\n\n","Clc1cc(c(c(c1Cl)Cl)Cl)c1c(Cl)cccc1Cl","c2cc(c(c1cc(c(c(c1Cl)Cl)Cl)Cl)c(c2)Cl)Cl","",1,"2,2',3,4,5,6'-HEXACHLOROBIPHENYL(1)","68194-15-0(1)","5106","High Reliability","-"]
[783,"Clc1ccc(cc1Cl)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1cc(ccc1Cl)c1c(Cl)c(Cl)cc(c1Cl)Cl","c1cc(c(cc1c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,3,3',4',5,6-HEXACHLOROBIPHENYL(1)","74472-44-9(1)","5200","High Reliability","-"]
[784,"Clc1ccc(cc1Cl)-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1ccc(cc1Cl)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1ccc(cc1Cl)c1c(Cl)cc(c(c1Cl)Cl)Cl","c1cc(c(cc1c2c(cc(c(c2Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,3,3',4,4',6-Hexachlorobiphenyl(1)","74472-42-7(1)","5199","High Reliability","-"]
[785,"Clc1cccc(c1Cl)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1cccc(c1Cl)c1c(Cl)c(Cl)cc(c1Cl)Cl","c2cc(c1c(c(cc(c1Cl)Cl)Cl)Cl)c(c(c2)Cl)Cl","",1,"2,2',3,3',5,6-HEXACHLOROBIPHENYL(1)","52704-70-8(1)","4858","High Reliability","-"]
[786,"Clc1cc(Cl)c(Cl)c(Cl)c1-c2cccc(Cl)c2Cl\nClc1cccc(c1Cl)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1Cl)Cl)c1cccc(c1Cl)Cl","c2cc(c1c(cc(c(c1Cl)Cl)Cl)Cl)c(c(c2)Cl)Cl","",1,"2,2',3,3',4,6-HEXACHLOROBIPHENYL(1)","61798-70-7(1)","5010","High Reliability","-"]
[787,"Clc1ccc(Cl)c(c1Cl)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(c(Cl)c1Cl)-c2c(Cl)ccc(Cl)c2Cl\n\n","Clc1ccc(c(c1Cl)Cl)c1c(Cl)ccc(c1Cl)Cl","c1cc(c(c(c1c2c(ccc(c2Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,3',4,6'-HEXACHLOROBIPHENYL(1)","38380-05-1(1)","4672","High Reliability","-"]
[788,"Clc1c(cccc1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\nClc1ccccc1-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1ccccc1c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl","c1ccc(c(c1)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","",1,"HEXACHLOROBIPHENYL(1)","26601-64-9(1)","4423","Medium Reliability","-"]
[789,"Clc1cc(Cl)c(cc1Cl)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(c(Cl)c1Cl)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1cc(Cl)c(cc1c1ccc(c(c1Cl)Cl)Cl)Cl","c1cc(c(c(c1c2cc(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,4,4',5'-HEXACHLOROBIPHENYL(1)","35065-28-2(1)","4605","High Reliability","-"]
[790,"Clc1cc(c(Cl)c(Cl)c1Cl)-c2cc(Cl)c(Cl)cc2\nClc1ccc(cc1Cl)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1ccc(cc1Cl)c1cc(Cl)c(c(c1Cl)Cl)Cl","c1cc(c(cc1c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,3,3',4,4',5-HEXACHLOROBIPHENYL(1)","38380-08-4(1)","4674","High Reliability","-"]
[791,"Clc1cccc(c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2\nClc1cccc(c1Cl)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1cccc(c1Cl)c1cc(Cl)c(c(c1Cl)Cl)Cl","c2cc(c1cc(c(c(c1Cl)Cl)Cl)Cl)c(c(c2)Cl)Cl","",1,"2,2',3,3',4,5-HEXACHLOROBIPHENYL(1)","55215-18-4(1)","4901","High Reliability","-"]
[792,"Clc1c(Cl)c(Cl)c(cc1)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(c(Cl)c1Cl)-c2ccc(Cl)c(Cl)c2Cl\nClc1ccc(c(Cl)c1Cl)-c2ccc(Cl)c(Cl)c2Cl\n","Clc1c(ccc(c1Cl)Cl)c1ccc(c(c1Cl)Cl)Cl","c1cc(c(c(c1c2ccc(c(c2Cl)Cl)Cl)Cl)Cl)Cl","",2,"2,2',3,3',4,4'-HEXACHLOROBIPHENYL(1), AROCLOR 1260(1)","38380-07-3(1), 11096-82-5(1)","4673, 3932","High Reliability","Checked on PubChem, Checked on ChemID"]
[793,"Clc1cc(Cl)c(cc1Cl)-c2cc(Cl)c(Cl)cc2Cl\n\n\n","Clc1cc(Cl)c(cc1c1cc(Cl)c(cc1Cl)Cl)Cl","c2c(c1cc(c(cc1Cl)Cl)Cl)c(cc(c2Cl)Cl)Cl","",1,"2,4,5,2',4',5'-HEXACHLOROBIPHENYL(1)","35065-27-1(1)","4604","High Reliability","-"]
[794,"Clc1cc(Cl)c(cc1Cl)-c2cc(Cl)c(Cl)c(Cl)c2\n\n\n","Clc1cc(Cl)c(cc1c1cc(Cl)c(c(c1)Cl)Cl)Cl","c1c(cc(c(c1Cl)Cl)Cl)c2cc(c(cc2Cl)Cl)Cl","",1,"2,3',4,4',5,5'-HEXACHLOROBIPHENYL(1)","52663-72-6(1)","4850","High Reliability","-"]
[795,"Brc1cc(c(Br)cc1)-c2cc(Br)c(Br)cc2Br\nBrc1ccc(Br)c(c1)-c2cc(Br)c(Br)cc2Br\n\n","Brc1ccc(c(c1)c1cc(Br)c(cc1Br)Br)Br","c1cc(c(cc1Br)c2cc(c(cc2Br)Br)Br)Br","",1,"2,2',4,5,5'-PENTABROMOBIPHENYL(1)","67888-96-4(1)","5092","High Reliability","-"]
[796,"Clc1cc(Cl)c(Cl)c2c1Oc3ccccc3O2\n\n\n","Clc1c(Cl)cc(c2c1Oc1ccccc1O2)Cl","O1c3ccccc3(Oc2c1c(cc(c2Cl)Cl)Cl)","",1,"1,2,4-TRICHLORODIBENZO-P-DIOXIN(1)","39227-58-2(1)","4709","High Reliability","-"]
[797,"Clc1ccc(Cl)c(c1)-c2c(Cl)c(Cl)cc(Cl)c2\nClc1ccc(Cl)c(c1)-c2cc(Cl)cc(Cl)c2Cl\n\n","Clc1ccc(c(c1)c1cc(Cl)cc(c1Cl)Cl)Cl","c1cc(c(cc1Cl)c2cc(cc(c2Cl)Cl)Cl)Cl","",1,"2,2',3,5,5'-PENTACHLOROBIPHENYL(1)","52663-61-3(1)","4840","High Reliability","-"]
[798,"Clc1cc(Cl)c(cc1)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(c(Cl)c1)-c2ccc(Cl)c(Cl)c2Cl\n\n","Clc1ccc(c(c1)Cl)c1ccc(c(c1Cl)Cl)Cl","c1cc(cc(c1c2ccc(c(c2Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,4,4'-PENTACHLOROBIPHENYL(1)","65510-45-4(1)","5053","High Reliability","-"]
[799,"Clc1cc(Cl)c(cc1)-c2c(Cl)c(Cl)ccc2Cl\nClc1ccc(c(Cl)c1)-c2c(Cl)ccc(Cl)c2Cl\n\n","Clc1ccc(c(c1)Cl)c1c(Cl)ccc(c1Cl)Cl","c1cc(cc(c1c2c(ccc(c2Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,4',6-PENTACHLOROBIPHENYL(1)","68194-05-8(1)","5100","High Reliability","-"]
[800,"Clc1cc(Cl)c(cc1)-c2c(Cl)cc(Cl)c(Cl)c2\nClc1ccc(c(Cl)c1)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1ccc(c(c1)Cl)c1cc(Cl)c(cc1Cl)Cl","c1cc(cc(c1c2cc(c(cc2Cl)Cl)Cl)Cl)Cl","",1,"2,2',4,4',5-PENTACHLOROBIPHENYL(1)","38380-01-7(1)","4668","High Reliability","-"]
[801,"Clc1cc(Cl)c(cc1)-c2c(Cl)c(Cl)cc(Cl)c2\nClc1ccc(c(Cl)c1)-c2cc(Cl)cc(Cl)c2Cl\n\n","Clc1ccc(c(c1)Cl)c1cc(Cl)cc(c1Cl)Cl","c1cc(cc(c1c2cc(cc(c2Cl)Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,4',5-pentachloro-(1)","68194-07-0(1)","5101","High Reliability","-"]
[802,"Clc1cc(c(Cl)cc1)-c2c(Cl)c(Cl)ccc2Cl\nClc1ccc(Cl)c(c1)-c2c(Cl)ccc(Cl)c2Cl\n\n","Clc1ccc(c(c1)c1c(Cl)ccc(c1Cl)Cl)Cl","c1cc(c(cc1Cl)c2c(ccc(c2Cl)Cl)Cl)Cl","",1,"2,2',3,5',6-PENTACHLOROBIPHENYL(1)","38379-99-6(1)","4667","High Reliability","-"]
[803,"Clc1cc(Cl)c(cc1)-c2c(Cl)cc(Cl)cc2Cl\nClc1ccc(c(Cl)c1)-c2c(Cl)cc(Cl)cc2Cl\n\n","Clc1ccc(c(c1)Cl)c1c(Cl)cc(cc1Cl)Cl","c1cc(cc(c1c2c(cc(cc2Cl)Cl)Cl)Cl)Cl","",1,"2,2',4,4',6-PENTACHLOROBIPHENYL(1)","39485-83-1(1)","4712","High Reliability","-"]
[804,"Clc1cc(c(Cl)cc1)-c2c(Cl)cc(Cl)c(Cl)c2\nClc1ccc(Cl)c(c1)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1ccc(c(c1)c1cc(Cl)c(cc1Cl)Cl)Cl","c1cc(c(cc1Cl)c2cc(c(cc2Cl)Cl)Cl)Cl","",1,"2,4,5,2',5'-PENTACHLOROBIPHENYL(1)","37680-73-2(1)","4651","High Reliability","-"]
[805,"Clc1ccc(Cl)c(c1)-c2c(Cl)cc(Cl)cc2Cl\n\n\n","Clc1ccc(c(c1)c1c(Cl)cc(cc1Cl)Cl)Cl","c1cc(c(cc1Cl)c2c(cc(cc2Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',4,5',6-pentachloro-(1)","60145-21-3(1)","4978","High Reliability","-"]
[806,"Clc1cc(c(Cl)cc1)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(Cl)c(c1)-c2ccc(Cl)c(Cl)c2Cl\n\n","Clc1ccc(c(c1)c1ccc(c(c1Cl)Cl)Cl)Cl","c1cc(c(c(c1c2cc(ccc2Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,4,5'-PENTACHLOROBIPHENYL(1)","38380-02-8(1)","4669","High Reliability","-"]
[807,"Clc1cc(Cl)c(c(Cl)c1)-c2c(Cl)c(Cl)ccc2\nClc1cc(Cl)c(c(Cl)c1)-c2cccc(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1)Cl)c1cccc(c1Cl)Cl","c2cc(c1c(cc(cc1Cl)Cl)Cl)c(c(c2)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,4',6'-pentachloro-(1)","60233-25-2(1)","4989","High Reliability","-"]
[808,"Clc1cc(Cl)c(c(Cl)c1)-c2c(Cl)cccc2Cl\n\n\n","Clc1cc(Cl)c(c(c1)Cl)c1c(Cl)cccc1Cl","c2cc(c(c1c(cc(cc1Cl)Cl)Cl)c(c2)Cl)Cl","",1,"2,2',4,6,6'-Pentachlorobiphenyl(1)","56558-16-8(1)","4932","High Reliability","-"]
[809,"Clc1cc(c(Cl)cc1)-c2cc(Cl)c(Cl)c(Cl)c2\nClc1ccc(Cl)c(c1)-c2cc(Cl)c(Cl)c(Cl)c2\n\n","Clc1ccc(c(c1)c1cc(Cl)c(c(c1)Cl)Cl)Cl","c1cc(c(cc1Cl)c2cc(c(c(c2)Cl)Cl)Cl)Cl","",1,"2',3,4,5,5'-Pentachlorobiphenyl(1)","70424-70-3(1)","5142","High Reliability","-"]
[810,"Clc1cc(Cl)c(c(Cl)c1)-c2cc(Cl)cc(Cl)c2\n\n\n","Clc1cc(Cl)c(c(c1)Cl)c1cc(Cl)cc(c1)Cl","c1c(cc(cc1Cl)Cl)c2c(cc(cc2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3',4,5',6-pentachloro-(1)","56558-18-0(1)","4934","High Reliability","-"]
[811,"Clc1cc(cc(Cl)c1)-c2c(Cl)cc(Cl)c(Cl)c2\nClc1cc(Cl)cc(c1)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1cc(Cl)cc(c1)c1cc(Cl)c(cc1Cl)Cl","c1c(cc(cc1Cl)Cl)c2cc(c(cc2Cl)Cl)Cl","",1,"2,3',4,5,5'-PENTACHLOROBIPHENYL(1)","68194-12-7(1)","5104","High Reliability","-"]
[812,"Clc1cccc(Cl)c1-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(c(Cl)c1Cl)-c2c(Cl)cccc2Cl\n\n","Clc1c(Cl)ccc(c1Cl)c1c(Cl)cccc1Cl","c2cc(c(c1ccc(c(c1Cl)Cl)Cl)c(c2)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,4,6'-pentachloro-(1)","73575-57-2(1)","5184","High Reliability","-"]
[813,"Clc1ccc(Cl)c(c1Cl)-c2cc(Cl)c(Cl)cc2\nClc1ccc(cc1Cl)-c2c(Cl)ccc(Cl)c2Cl\n\n","Clc1cc(ccc1Cl)c1c(Cl)ccc(c1Cl)Cl","c1cc(c(cc1c2c(ccc(c2Cl)Cl)Cl)Cl)Cl","",1,"2,3,3',4',6-PENTACHLOROBIPHENYL(1)","38380-03-9(1)","4670","High Reliability","-"]
[814,"Clc1cc(ccc1)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1cccc(c1)c1c(Cl)c(Cl)cc(c1Cl)Cl","c1cc(cc(c1)Cl)c2c(c(cc(c2Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,3',5,6-pentachloro-(1)","74472-36-9(1)","5196","High Reliability","-"]
[815,"Clc1ccc(cc1)-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1ccc(cc1)c1c(Cl)c(Cl)cc(c1Cl)Cl","c1cc(ccc1c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,4',5,6-pentachloro-(1)","68194-11-6(1)","5103","High Reliability","-"]
[816,"Clc1ccc(cc1)-c2c(Cl)c(Cl)c(Cl)cc2Cl\nClc1ccc(cc1)-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1ccc(cc1)c1c(Cl)cc(c(c1Cl)Cl)Cl","c1cc(ccc1c2c(cc(c(c2Cl)Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,4,4',6-pentachloro-(1)","74472-38-1(1)","5198","High Reliability","-"]
[817,"Clc1ccc(cc1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2\nClc1ccc(cc1)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1ccc(cc1)c1cc(Cl)c(c(c1Cl)Cl)Cl","c1cc(ccc1c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl","",1,"2,3,4,4',5-Pentachlorobiphenyl(1)","74472-37-0(1)","5197","High Reliability","-"]
[818,"Clc1cc(cc(Cl)c1)-c2c(Cl)c(Cl)ccc2Cl\nClc1cc(Cl)cc(c1)-c2c(Cl)ccc(Cl)c2Cl\n\n","Clc1cc(Cl)cc(c1)c1c(Cl)ccc(c1Cl)Cl","c2cc(c(c(c1cc(cc(c1)Cl)Cl)c2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,3',5',6-pentachloro-(1)","68194-10-5(1)","5102","High Reliability","-"]
[819,"Clc1cc(Cl)c(c(Cl)c1)-c2ccc(Cl)c(Cl)c2\n\n\n","Clc1cc(Cl)c(c(c1)Cl)c1ccc(c(c1)Cl)Cl","c1cc(c(cc1c2c(cc(cc2Cl)Cl)Cl)Cl)Cl","",1,"2,3',4,4',6-PENTACHLOROBIPHENYL(1)","56558-17-9(1)","4933","High Reliability","-"]
[820,"Clc1ccccc1-c2c(Cl)c(Cl)cc(Cl)c2Cl\n\n\n","Clc1ccccc1c1c(Cl)c(Cl)cc(c1Cl)Cl","c1ccc(c(c1)c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,5,6-pentachloro-(1)","73575-56-1(1)","5183","High Reliability","-"]
[821,"Clc1cc(Cl)c(Cl)c(Cl)c1-c2c(Cl)cccc2\nClc1ccccc1-c2c(Cl)cc(Cl)c(Cl)c2Cl\n\n","Clc1cc(Cl)c(c(c1c1ccccc1Cl)Cl)Cl","c1ccc(c(c1)c2c(cc(c(c2Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,4,6-PENTACHLOROBIPHENYL(1)","55215-17-3(1)","4900","High Reliability","-"]
[822,"Clc1cccc(c1Cl)-c2c(Cl)c(Cl)ccc2Cl\nClc1cccc(c1Cl)-c2c(Cl)ccc(Cl)c2Cl\n\n","Clc1c(Cl)cccc1c1c(Cl)ccc(c1Cl)Cl","c2cc(c1c(ccc(c1Cl)Cl)Cl)c(c(c2)Cl)Cl","",1,"2,2',3,3',6-PENTACHLOROBIPHENYL(1)","52663-60-2(1)","4839","High Reliability","-"]
[823,"Clc1cccc(c1Cl)-c2ccc(Cl)c(Cl)c2Cl\n\n\n","Clc1ccc(c(c1Cl)Cl)c1cccc(c1Cl)Cl","c2cc(c1ccc(c(c1Cl)Cl)Cl)c(c(c2)Cl)Cl","",1,"AROCLOR 1254(1)","11097-69-1(1)","3933","High Reliability","Checked on PubChem, Checked on ChemID"]
[824,"Clc1cc(Cl)c(cc1Cl)-c2c(Cl)c(Cl)ccc2\nClc1cccc(c1Cl)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1cc(Cl)c(cc1c1cccc(c1Cl)Cl)Cl","c2cc(c1cc(c(cc1Cl)Cl)Cl)c(c(c2)Cl)Cl","",1,"2,2',3',4,5-PENTACHLOROBIPHENYL(1)","41464-51-1(1)","4749","High Reliability","-"]
[825,"Clc1cc(cc(Cl)c1Cl)-c2cccc(Cl)c2Cl\nClc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2)c1Cl\n\n","Clc1c(Cl)cccc1c1cc(Cl)c(c(c1)Cl)Cl","c2cc(c1cc(c(c(c1)Cl)Cl)Cl)c(c(c2)Cl)Cl","",1,"2',3,3',4,5-Pentachlorobiphenyl(1)","76842-07-4(1)","5233","High Reliability","-"]
[826,"Clc1c(Cl)cc(cc1)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(cc1Cl)-c2ccc(Cl)c(Cl)c2Cl\n\n","Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl","c1cc(c(cc1c2ccc(c(c2Cl)Cl)Cl)Cl)Cl","",1,"2,3,3',4,4'-PENTACHLORO-1,1'-BIPHENYL(1)","32598-14-4(1)","4543","High Reliability","-"]
[827,"Clc1cc(c(Cl)c(Cl)c1Cl)-c2c(Cl)cccc2\nClc1ccccc1-c2cc(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1ccccc1c1cc(Cl)c(c(c1Cl)Cl)Cl","c1ccc(c(c1)c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,4,5-PENTACHLOROBIPHENYL(1)","55312-69-1(1)","4908","High Reliability","-"]
[828,"Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)-c2ccccc2\n\n\n","Clc1c(c2ccccc2)c(Cl)c(c(c1Cl)Cl)Cl","c1ccc(cc1)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","",1,"2,3,4,5,6-PCB(1)","18259-05-7(1)","4187","Medium Reliability","-"]
[829,"Clc1ccc2oc3ccc(Cl)cc3c2c1\n\n\n","Clc1ccc2c(c1)c1cc(Cl)ccc1o2","o2c1ccc(cc1c3cc(ccc23)Cl)Cl","",1,"2,8-DICHLORODIBENZOFURAN(1)","5409-83-6(1)","3602","High Reliability","Checked on PubChem, Checked on ChemID"]
[830,"Clc1cc2c(Oc3c(O2)ccc(Cl)c3)cc1\n\n\n","Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl","O1c3ccc(cc3(Oc2ccc(cc12)Cl))Cl","",1,"2,7-DICHLORODIBENZO-P-DIOXIN(1)","33857-26-0(1)","4573","High Reliability","-"]
[831,"Clc1ccc2Oc3ccc(Cl)cc3Oc2c1\n\n\n","Clc1ccc2c(c1)Oc1c(O2)ccc(c1)Cl","O1c3ccc(cc3(Oc2cc(ccc12)Cl))Cl","",1,"2,8-DICHLORODIBENZO-P-DIOXIN(1)","38964-22-6(1)","4700","High Reliability","Checked on PubChem, Checked on ChemID"]
[832,"[O-][N+](=O)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1\n\n\n","Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl","O=[N+]([O-])c2ccc(Oc1c(cc(cc1Cl)Cl)Cl)cc2","",1,"CHLORNITROFEN(1)","1836-77-7(1)","2997","High Reliability","-"]
[833,"ClC(Cl)C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O\n\n\n","O=C(C(Cl)Cl)NC1=C(Cl)C(=O)c2c(C1=O)cccc2","O=C1c2ccccc2(C(=O)C(=C1(NC(=O)C(Cl)Cl))Cl)","",1,"Quinonamid(1)","27541-88-4(1)","4448","High Reliability","-"]
[834,"Clc1cc(c(Cl)cc1)-c2c(Cl)ccc(Cl)c2\nClc1ccc(Cl)c(c1)-c2cc(Cl)ccc2Cl\n\n","Clc1ccc(cc1c1cc(Cl)ccc1Cl)Cl","c1cc(c(cc1Cl)c2cc(ccc2Cl)Cl)Cl","",1,"2,2',5,5'-TETRACHLOROBIPHENYL(1)","35693-99-3(1)","4618","High Reliability","-"]
[835,"Clc1cc(Cl)c(cc1)-c2c(Cl)cc(Cl)cc2\nClc1ccc(c(Cl)c1)-c2ccc(Cl)cc2Cl\n\n","Clc1ccc(c(c1)Cl)c1ccc(cc1Cl)Cl","c1cc(cc(c1c2ccc(cc2Cl)Cl)Cl)Cl","",1,"2,2',4,4'-TETRACHLOROBIPHENYL(1)","2437-79-8(1)","3207","High Reliability","-"]
[836,"Clc1cc(Cl)c(cc1)-c2c(Cl)ccc(Cl)c2\nClc1ccc(c(Cl)c1)-c2cc(Cl)ccc2Cl\n\n","Clc1ccc(c(c1)Cl)c1cc(Cl)ccc1Cl","c1cc(cc(c1c2cc(ccc2Cl)Cl)Cl)Cl","",1,"2,2',4,5'-TETRACHLOROBIPHENYL(1)","41464-40-8(1)","4745","High Reliability","-"]
[837,"Clc1cccc(Cl)c1-c2c(Cl)cccc2Cl\n\n\n","Clc1cccc(c1c1c(Cl)cccc1Cl)Cl","c2cc(c(c1c(cccc1Cl)Cl)c(c2)Cl)Cl","",1,"2,2',6,6'-TETRACHLOROBIPHENYL(1)","15968-05-5(1)","4084","High Reliability","-"]
[838,"Clc1cc(c(Cl)cc1)-c2c(Cl)c(Cl)ccc2\nClc1ccc(Cl)c(c1)-c2cccc(Cl)c2Cl\n\n","Clc1ccc(c(c1)c1cccc(c1Cl)Cl)Cl","c2cc(c1cc(ccc1Cl)Cl)c(c(c2)Cl)Cl","",1,"2,2',3,5'-TETRACHLOROBIPHENYL(1)","41464-39-5(1)","4744","High Reliability","-"]
[839,"Clc1cc(Cl)c(cc1)-c2cccc(Cl)c2Cl\nClc1ccc(c(Cl)c1)-c2cccc(Cl)c2Cl\n\n","Clc1ccc(c(c1)Cl)c1cccc(c1Cl)Cl","c2cc(c1ccc(cc1Cl)Cl)c(c(c2)Cl)Cl","",1,"2,2',3,4'-TETRACHLOROBIPHENYL(1)","36559-22-5(1)","4631","High Reliability","-"]
[840,"Clc1ccc(c(Cl)c1)-c2c(Cl)cccc2Cl\n\n\n","Clc1ccc(c(c1)Cl)c1c(Cl)cccc1Cl","c2cc(c(c1ccc(cc1Cl)Cl)c(c2)Cl)Cl","",1,"2,2',4,6'-TETRACHLOROBIPHENYL(1)","68194-04-7(1)","5099","High Reliability","-"]
[841,"Clc1cc(c(Cl)cc1)-c2c(Cl)cccc2Cl\nClc1ccc(Cl)c(c1)-c2c(Cl)cccc2Cl\n\n","Clc1ccc(c(c1)c1c(Cl)cccc1Cl)Cl","c2cc(c(c1cc(ccc1Cl)Cl)c(c2)Cl)Cl","",1,"2,2',5,6'-TETRACHLOROBIPHENYL(1)","41464-41-9(1)","4746","High Reliability","-"]
[842,"Clc1cc(Cl)c(c(Cl)c1)-c2c(Cl)cccc2\nClc1cc(Cl)c(c(Cl)c1)-c2ccccc2Cl\n\n","Clc1cc(Cl)c(c(c1)Cl)c1ccccc1Cl","c1ccc(c(c1)c2c(cc(cc2Cl)Cl)Cl)Cl","",1,"2,2',4,6-TETRACHLOROBIPHENYL(1)","62796-65-0(1)","5017","High Reliability","-"]
[843,"Clc1cc(Cl)c(cc1)-c2cc(Cl)c(Cl)cc2\nClc1ccc(c(Cl)c1)-c2ccc(Cl)c(Cl)c2\n\n","Clc1ccc(c(c1)Cl)c1ccc(c(c1)Cl)Cl","c1cc(c(cc1c2ccc(cc2Cl)Cl)Cl)Cl","",1,"2,3',4,4'-TETRACHLOROBIPHENYL(1)","32598-10-0(1)","4539","High Reliability","-"]
[844,"Clc1cc(c(Cl)cc1)-c2cc(Cl)c(Cl)cc2\nClc1ccc(Cl)c(c1)-c2ccc(Cl)c(Cl)c2\n\n","Clc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)Cl","c1cc(c(cc1c2cc(ccc2Cl)Cl)Cl)Cl","",1,"2,3',4',5-TETRACHLOROBIPHENYL(1)","32598-11-1(1)","4540","High Reliability","-"]
[845,"Clc1cc(ccc1)-c2c(Cl)cc(Cl)cc2Cl\n\n\n","Clc1cccc(c1)c1c(Cl)cc(cc1Cl)Cl","c1cc(cc(c1)Cl)c2c(cc(cc2Cl)Cl)Cl","",1,"2,3',4,6-TETRACHLOROBIPHENYL(1)","60233-24-1(1)","4988","High Reliability","-"]
[846,"Clc1cc(ccc1)-c2c(Cl)cc(Cl)c(Cl)c2\nClc1cccc(c1)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1cccc(c1)c1cc(Cl)c(cc1Cl)Cl","c1cc(cc(c1)Cl)c2cc(c(cc2Cl)Cl)Cl","",1,"2,3',4,5-TETRACHLOROBIPHENYL(1)","73575-53-8(1)","5182","High Reliability","-"]
[847,"Clc1cc(ccc1)-c2ccc(Cl)c(Cl)c2Cl\n\n\n","Clc1cccc(c1)c1ccc(c(c1Cl)Cl)Cl","c1cc(cc(c1)Cl)c2ccc(c(c2Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,3',4-tetrachloro-(1)","74338-24-2(1)","5194","High Reliability","-"]
[848,"Clc1ccc(cc1)-c2c(Cl)c(Cl)cc(Cl)c2\nClc1ccc(cc1)-c2cc(Cl)cc(Cl)c2Cl\n\n","Clc1ccc(cc1)c1cc(Cl)cc(c1Cl)Cl","c1cc(ccc1c2cc(cc(c2Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,3,4',5-tetrachloro-(1)","74472-34-7(1)","5195","High Reliability","-"]
[849,"Clc1ccc(cc1)-c2c(Cl)cc(Cl)cc2Cl\n\n\n","Clc1ccc(cc1)c1c(Cl)cc(cc1Cl)Cl","c1cc(ccc1c2c(cc(cc2Cl)Cl)Cl)Cl","",1,"2,4,4',6-Tetrachlorobiphenyl(1)","32598-12-2(1)","4541","High Reliability","-"]
[850,"Clc1ccc(cc1)-c2c(Cl)cc(Cl)c(Cl)c2\nClc1ccc(cc1)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1ccc(cc1)c1cc(Cl)c(cc1Cl)Cl","c1cc(ccc1c2cc(c(cc2Cl)Cl)Cl)Cl","",1,"2,4,4',5-TETRACHLOROBIPHENYL(1)","32690-93-0(1)","4546","High Reliability","-"]
[851,"Clc1ccc(cc1)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1ccc(cc1)-c2ccc(Cl)c(Cl)c2Cl\n\n","Clc1ccc(cc1)c1ccc(c(c1Cl)Cl)Cl","c1cc(ccc1c2ccc(c(c2Cl)Cl)Cl)Cl","",1,"2,3,4,4'-PCB(1)","33025-41-1(1)","4553","Medium Reliability","-"]
[852,"Clc1ccc(Cl)c(c1Cl)-c2ccccc2Cl\n\n\n","Clc1ccccc1c1c(Cl)ccc(c1Cl)Cl","c1ccc(c(c1)c2c(ccc(c2Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,6-tetrachloro-(1)","70362-45-7(1)","5137","High Reliability","-"]
[853,"Clc1cccc(Cl)c1-c2cc(Cl)c(Cl)cc2\n\n\n","Clc1cc(ccc1Cl)c1c(Cl)cccc1Cl","c2cc(c(c1ccc(c(c1)Cl)Cl)c(c2)Cl)Cl","",1,"1,1'-Biphenyl, 2,3',4',6-tetrachloro-(1)","41464-46-4(1)","4747","High Reliability","-"]
[854,"Clc1cc(Cl)c(Cl)c(c1Cl)-c2ccccc2\n\n\n","Clc1cc(Cl)c(c(c1Cl)c1ccccc1)Cl","c1ccc(cc1)c2c(c(cc(c2Cl)Cl)Cl)Cl","",1,"2,3,5,6-TETRACHLOROBIPHENYL(1)","33284-54-7(1)","4563","High Reliability","-"]
[855,"Clc1cc(cc(Cl)c1)-c2cc(Cl)cc(Cl)c2\nClc1cc(Cl)cc(c1)-c2cc(Cl)cc(Cl)c2\n\n","Clc1cc(cc(c1)Cl)c1cc(Cl)cc(c1)Cl","c1c(cc(cc1Cl)Cl)c2cc(cc(c2)Cl)Cl","",2,"3,3',5,5'-TETRACHLOROBIPHENYL(1), AROCLOR 1248(1)","33284-52-5(1), 12672-29-6(1)","4561, 3942","High Reliability","Checked on PubChem, Checked on ChemID"]
[856,"Clc1c(Cl)cc(cc1)-c2cc(Cl)c(Cl)cc2\n\n\n","Clc1ccc(cc1Cl)c1ccc(c(c1)Cl)Cl","c1cc(c(cc1c2ccc(c(c2)Cl)Cl)Cl)Cl","",1,"3,3',4,4'-TETRACHLOROBIPHENYL(1)","32598-13-3(1)","4542","High Reliability","-"]
[857,"Clc1cc(Cl)c(cc1Cl)-c2c(Cl)cccc2\nClc1ccccc1-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1cc(Cl)c(cc1c1ccccc1Cl)Cl","c1ccc(c(c1)c2cc(c(cc2Cl)Cl)Cl)Cl","",1,"2,2'4,5-TETRACHLOROBIPHENYL(1)","70362-47-9(1)","5139","Medium Reliability","-"]
[858,"Clc1c(Cl)c(Cl)c(cc1)-c2c(Cl)cccc2\nClc1ccc(c(Cl)c1Cl)-c2ccccc2Cl\n\n","Clc1c(Cl)ccc(c1Cl)c1ccccc1Cl","c1ccc(c(c1)c2ccc(c(c2Cl)Cl)Cl)Cl","",1,"2,2',3,4-TETRACHLOROBIPHENYL(1)","52663-59-9(1)","4838","High Reliability","-"]
[859,"Clc1cccc(c1Cl)-c2c(Cl)c(Cl)ccc2\nClc1cccc(c1Cl)-c2cccc(Cl)c2Cl\n\n","Clc1c(Cl)cccc1c1cccc(c1Cl)Cl","c2cc(c1cccc(c1Cl)Cl)c(c(c2)Cl)Cl","",1,"2,2',3,3'-TETRACHLOROBIPHENYL(1)","38444-93-8(1)","4685","High Reliability","-"]
[860,"Clc1ccc(cc1)S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl\n\n\n","Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl","O=S(=O)(c1ccc(cc1)Cl)c2cc(c(cc2Cl)Cl)Cl","",1,"TETRADIFON(1)","116-29-0(1)","1300","High Reliability","-"]
[861,"Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1\n\n\n","Clc1ccc(cc1)Sc1cc(Cl)c(cc1Cl)Cl","c1cc(ccc1Cl)Sc2cc(c(cc2Cl)Cl)Cl","",1,"TETRASUL(1)","2227-13-6(1)","3137","High Reliability","-"]
[862,"FC1(F)Oc2cccc(c2O1)-c3c[nH]cc3C#N\n\n\n","N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F","N#Cc1c[nH]cc1c3cccc2OC(F)(F)Oc23","",1,"FLUDIOXONIL(1)","131341-86-1(1)","5677","High Reliability","-"]
[863,"[O-][N+](=O)c1ccc(Oc2c(Cl)cc(Cl)cc2)cc1\n\n\n","Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c2ccc(Oc1ccc(cc1Cl)Cl)cc2","",1,"NITROFEN(1)","1836-75-5(1)","2996","High Reliability","-"]
[864,"Clc1cccc(c1)-c2cc(Cl)cc(Cl)c2\n\n\n","Clc1cccc(c1)c1cc(Cl)cc(c1)Cl","c1cc(cc(c1)Cl)c2cc(cc(c2)Cl)Cl","",1,"AROCLOR 1016(1)","12674-11-2(1)","3943","High Reliability","Checked on PubChem, Checked on ChemID"]
[865,"Clc1ccc(cc1)-c2cc(Cl)c(Cl)cc2\n\n\n","Clc1ccc(cc1)c1ccc(c(c1)Cl)Cl","c1cc(ccc1c2ccc(c(c2)Cl)Cl)Cl","",1,"3,4,4'-TRICHLOROBIPHENYL(1)","38444-90-5(1)","4684","High Reliability","-"]
[866,"Clc1c(Cl)cc(cc1)-c2c(Cl)cccc2\nClc1ccc(cc1Cl)-c2ccccc2Cl\n\n","Clc1cc(ccc1Cl)c1ccccc1Cl","c1ccc(c(c1)c2ccc(c(c2)Cl)Cl)Cl","",1,"2',3,4-TRICHLOROBIPHENYL(1)","38444-86-9(1)","4683","High Reliability","-"]
[867,"Clc1cccc(c1Cl)-c2c(Cl)cccc2\nClc1cccc(c1Cl)-c2ccccc2Cl\n\n","Clc1ccccc1c1cccc(c1Cl)Cl","c1ccc(c(c1)c2cccc(c2Cl)Cl)Cl","",1,"2,2',3'-TRICHLOROBIPHENYL(1)","38444-78-9(1)","4680","High Reliability","-"]
[868,"Clc1cc(Cl)c(cc1Cl)-c2ccccc2\n\n\n","Clc1cc(Cl)c(cc1c1ccccc1)Cl","c1ccc(cc1)c2cc(c(cc2Cl)Cl)Cl","",1,"2,4,5-TRICHLOROBIPHENYL(1)","15862-07-4(1)","4079","High Reliability","-"]
[869,"Clc1c(Cl)c(Cl)c(cc1)-c2ccccc2\nClc1ccc(-c2ccccc2)c(Cl)c1Cl\n\n","Clc1ccc(c(c1Cl)Cl)c1ccccc1","c1ccc(cc1)c2ccc(c(c2Cl)Cl)Cl","",1,"2,3,4-TRICHLORO-1,1'-BIPHENYL(1)","55702-46-0(1)","4917","High Reliability","-"]
[870,"Clc1cc(Cl)c(cc1)-c2c(Cl)cccc2\nClc1ccc(c(Cl)c1)-c2ccccc2Cl\n\n","Clc1ccc(c(c1)Cl)c1ccccc1Cl","c1ccc(c(c1)c2ccc(cc2Cl)Cl)Cl","",1,"2,2',4-TRICHLOROBIPHENYL(1)","37680-66-3(1)","4649","High Reliability","-"]
[871,"Clc1cc(c(Cl)cc1)-c2c(Cl)cccc2\nClc1ccc(Cl)c(c1)-c2ccccc2Cl\n\n","Clc1ccc(c(c1)c1ccccc1Cl)Cl","c1ccc(c(c1)c2cc(ccc2Cl)Cl)Cl","",1,"2,2',5-TRICHLOROBIPHENYL(1)","37680-65-2(1)","4648","High Reliability","-"]
[872,"Clc1cc(c(Cl)cc1)-c2cc(Cl)ccc2\nClc1cccc(c1)-c2cc(Cl)ccc2Cl\n\n","Clc1ccc(c(c1)c1cccc(c1)Cl)Cl","c1cc(cc(c1)Cl)c2cc(ccc2Cl)Cl","",1,"2,3',5-TRICHLOROBIPHENYL(1)","38444-81-4(1)","4681","High Reliability","-"]
[873,"Clc1ccc(cc1)-c2c(Cl)cc(Cl)cc2\nClc1ccc(cc1)-c2ccc(Cl)cc2Cl\n\n","Clc1ccc(cc1)c1ccc(cc1Cl)Cl","c1cc(ccc1c2ccc(cc2Cl)Cl)Cl","",1,"2,4,4'-TRICHLOROBIPHENYL(1)","7012-37-5(1)","3810","High Reliability","-"]
[874,"Clc1ccc(cc1)-c2c(Cl)ccc(Cl)c2\nClc1ccc(cc1)-c2cc(Cl)ccc2Cl\n\n","Clc1ccc(cc1)c1cc(Cl)ccc1Cl","c1cc(ccc1c2cc(ccc2Cl)Cl)Cl","",1,"2,4',5-TRICHLOROBIPHENYL(1)","16606-02-3(1)","4107","High Reliability","-"]
[875,"Clc1cccc(c1)-c2c(Cl)cccc2Cl\n\n\n","Clc1cccc(c1)c1c(Cl)cccc1Cl","c1cc(cc(c1)Cl)c2c(cccc2Cl)Cl","",1,"2,3',6-Trichlorobiphenyl(1)","38444-76-7(1)","4678","High Reliability","-"]
[876,"Clc1cccc(Cl)c1-c2c(Cl)cccc2\nClc1ccccc1-c2c(Cl)cccc2Cl\n\n","Clc1cccc(c1c1ccccc1Cl)Cl","c1ccc(c(c1)c2c(cccc2Cl)Cl)Cl","",1,"2,2',6-TRICHLOROBIPHENYL(1)","38444-73-4(1)","4677","High Reliability","-"]
[877,"Clc1cc(cc(Cl)c1)-c2c(Cl)cccc2\nClc1cc(Cl)cc(c1)-c2ccccc2Cl\n\n","Clc1cc(Cl)cc(c1)c1ccccc1Cl","c1ccc(c(c1)c2cc(cc(c2)Cl)Cl)Cl","",1,"2',3,5-TRICHLOROBIPHENYL(1)","37680-68-5(1)","4650","High Reliability","-"]
[878,"Clc1cc(Cl)c(c(Cl)c1)-c2ccccc2\n\n\n","Clc1cc(Cl)c(c(c1)Cl)c1ccccc1","c1ccc(cc1)c2c(cc(cc2Cl)Cl)Cl","",1,"2,4,6-TRICHLOROBIPHENYL(1)","35693-92-6(1)","4617","High Reliability","-"]
[879,"Clc1ccc(cc1)-c2c(Cl)c(Cl)ccc2\nClc1ccc(cc1)-c2cccc(Cl)c2Cl\n\n","Clc1ccc(cc1)c1cccc(c1Cl)Cl","c2cc(c1ccc(cc1)Cl)c(c(c2)Cl)Cl","",1,"2,3,4'-TRICHLOROBIPHENYL(1)","38444-85-8(1)","4682","High Reliability","-"]
[880,"Clc1ccc(cc1)-c2c(Cl)cccc2Cl\n\n\n","Clc1cccc(c1c1ccc(cc1)Cl)Cl","c2cc(c(c1ccc(cc1)Cl)c(c2)Cl)Cl","",1,"2,4',6-TRICHLOROBIPHENYL(1)","38444-77-8(1)","4679","High Reliability","-"]
[881,"Clc1ccc(Cl)c(c1Cl)-c2ccccc2\n\n\n","Clc1ccc(c(c1c1ccccc1)Cl)Cl","c1ccc(cc1)c2c(ccc(c2Cl)Cl)Cl","",1,"2,3,6-TRICHLOROBIPHENYL(1)","55702-45-9(1)","4916","High Reliability","-"]
[882,"Clc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1\n\n\n","Clc1ccc(cc1)Oc1cc(Cl)cc(c1)Cl","O(c1ccc(cc1)Cl)c2cc(cc(c2)Cl)Cl","",1,"3,4',5-Trichlorodiphenyl ether(1)","24910-73-4(1)","4372","Medium Reliability","-"]
[883,"Clc1ccc(Oc2cc(Cl)c(Cl)cc2)cc1\n\n\n","Clc1ccc(cc1)Oc1ccc(c(c1)Cl)Cl","O(c1ccc(cc1)Cl)c2ccc(c(c2)Cl)Cl","",1,"3,4,4'-Trichlorodiphenyl ether(1)","63646-51-5(1)","5024","Medium Reliability","-"]
[884,"Clc1ccc(Oc2ccc(Cl)cc2Cl)cc1\n\n\n","Clc1ccc(cc1)Oc1ccc(cc1Cl)Cl","O(c1ccc(cc1)Cl)c2ccc(cc2Cl)Cl","",1,"2,4,4'-Trichlorodiphenyl ether(1)","59039-21-3(1)","4969","Medium Reliability","-"]
[885,"Clc1ccc(Oc2c(Cl)ccc(Cl)c2)cc1\n\n\n","Clc1ccc(cc1)Oc1cc(Cl)ccc1Cl","O(c1ccc(cc1)Cl)c2cc(ccc2Cl)Cl","",1,"2,4',5-Trichlorodiphenyl ether(1)","65075-00-5(1)","5047","High Reliability","Checked on PubChem, Checked on ChemID"]
[886,"Clc1cc(Cl)c(Oc2cc(Cl)ccc2)cc1\n\n\n","Clc1ccc(c(c1)Cl)Oc1cccc(c1)Cl","O(c1cccc(c1)Cl)c2ccc(cc2Cl)Cl","",1,"2,3',4-Trichlorodiphenyl ether(1)","155999-93-2(1)","5730","High Reliability","Checked on PubChem, Checked on ChemID"]
[887,"Clc1cccc(Oc2cc(Cl)c(Cl)cc2)c1\n\n\n","Clc1cccc(c1)Oc1ccc(c(c1)Cl)Cl","O(c1cccc(c1)Cl)c2ccc(c(c2)Cl)Cl","",1,"3,3',4-Trichlorodiphenyl ether(1)","66794-60-3(1)","5067","Medium Reliability","-"]
[888,"Clc1ccc(Oc2cccc(Cl)c2Cl)cc1\n\n\n","Clc1ccc(cc1)Oc1cccc(c1Cl)Cl","O(c1ccc(cc1)Cl)c2cccc(c2Cl)Cl","",1,"2,3,4'-Trichlorodiphenyl ether(1)","157683-71-1(1)","5731","High Reliability","Checked on PubChem, Checked on ChemID"]
[889,"Clc1ccc(Oc2c(Cl)cccc2Cl)cc1\n\n\n","Clc1cccc(c1Oc1ccc(cc1)Cl)Cl","O(c1ccc(cc1)Cl)c2c(cccc2Cl)Cl","",1,"2,4',6-Trichlorodiphenyl ether(1)","157683-72-2(1)","5732","High Reliability","Checked on PubChem, Checked on ChemID"]
[890,"Clc1cc(Cl)c(Oc2ccccc2Cl)cc1\n\n\n","Clc1ccc(c(c1)Cl)Oc1ccccc1Cl","O(c1ccccc1Cl)c2ccc(cc2Cl)Cl","",1,"2,2',4-Trichlorodiphenyl ether(1)","68914-97-6(1)","5115","Medium Reliability","-"]
[891,"Clc1cc(Oc2ccccc2)c(Cl)c(Cl)c1\n\n\n","Clc1cc(Oc2ccccc2)c(c(c1)Cl)Cl","O(c1ccccc1)c2cc(cc(c2Cl)Cl)Cl","",1,"2,3,5-Trichlorodiphenyl ether(1)","162853-24-9(1)","5749","High Reliability","Checked on PubChem, Checked on ChemID"]
[892,"Clc1ccccc1Oc2cc(Cl)c(Cl)cc2\n\n\n","Clc1cc(ccc1Cl)Oc1ccccc1Cl","O(c1ccc(c(c1)Cl)Cl)c2ccccc2Cl","",1,"2',3,4-Trichlorodiphenyl ether(1)","61328-44-7(1)","5004","Medium Reliability","-"]
[893,"Clc1c(Cl)c(Oc2ccccc2)c(Cl)cc1\n\n\n","Clc1ccc(c(c1Oc1ccccc1)Cl)Cl","O(c1ccccc1)c2c(ccc(c2Cl)Cl)Cl","",1,"2,3,6-Trichlorodiphenyl ether(1)","162853-25-0(1)","5750","High Reliability","Checked on PubChem, Checked on ChemID"]
[894,"Oc1c(Oc2ccc(Cl)cc2Cl)ccc(Cl)c1\n\n\n","Clc1ccc(c(c1)O)Oc1ccc(cc1Cl)Cl","Oc2cc(ccc2(Oc1ccc(cc1Cl)Cl))Cl","",1,"5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL(1)","3380-34-5(1)","3373","High Reliability","-"]
[895,"FC(F)(F)c1c(sc(Cl)n1)C(=O)OCc2ccccc2\n\n\n","Clc1nc(c(s1)C(=O)OCc1ccccc1)C(F)(F)F","O=C(OCc1ccccc1)c2c(nc(Cl)s2)C(F)(F)F","",1,"Flurazole(1)","72850-64-7(1)","5177","High Reliability","-"]
[896,"Clc1cccc2c1Oc3ccccc3O2\n\n\n","Clc1cccc2c1Oc1ccccc1O2","O1c3ccccc3(Oc2c1cccc2Cl)","",1,"1-CHLORODIBENZO-P-DIOXIN(1)","39227-53-7(1)","4707","High Reliability","-"]
[897,"Clc1cc2c(Oc3ccccc3O2)cc1\n\n\n","Clc1ccc2c(c1)Oc1c(O2)cccc1","O1c3ccccc3(Oc2cc(ccc12)Cl)","",1,"2-CHLORODIBENZO-P-DIOXIN(1)","39227-54-8(1)","4708","High Reliability","-"]
[898,"[O-][N+](=O)c1cc2cccnc2c3ncccc13\n\n\n","[O-][N+](=O)c1cc2cccnc2c2c1cccn2","O=[N+]([O-])c3cc1cccnc1c2ncccc23","",1,"1,10-PHENANTHROLINE, 5-NITRO-(1)","4199-88-6(1)","3471","High Reliability","-"]
[899,"Oc1ccc2nc-3ccc(=O)cc3oc2c1\n\n\n","Oc1ccc2c(c1)oc1c(n2)ccc(=O)c1","O=C1C=CC2=Nc3ccc(O)cc3(OC2(=C1))","",1,"Resorufin(1)","635-78-9(1)","2590","High Reliability","-"]
[900,"C1=Cc2c3c1cccc3ccc2\n\n\n","c1cc2cccc3c2c(c1)C=C3","c1cc2cccc3C=Cc(c1)c23","",1,"ACENAPHTHYLENE(1)","208-96-8(1)","1654","High Reliability","-"]
[901,"Brc1cc2c(Nc3ccccc3S2)cc1\n\n\n","Brc1ccc2c(c1)Sc1c(N2)cccc1","c1ccc3c(c1)Nc2ccc(cc2S3)Br","",1,"10H-Phenothiazine, 3-bromo-(1)","3939-23-9(1)","3445","High Reliability","-"]
[902,"Clc1cccc(c1)-c2c(Cl)cccc2\nClc1cccc(c1)-c2ccccc2Cl\n\n","Clc1cccc(c1)c1ccccc1Cl","c1ccc(c(c1)c2cccc(c2)Cl)Cl","",1,"2,3'-DICHLOROBIPHENYL(1)","25569-80-6(1)","4405","High Reliability","-"]
[903,"Clc1cc(Cl)c(cc1)-c2ccccc2\nClc1ccc(c(Cl)c1)-c2ccccc2\n\n","Clc1ccc(c(c1)Cl)c1ccccc1","c1ccc(cc1)c2ccc(cc2Cl)Cl","",1,"2,4-DICHLOROBIPHENYL(1)","33284-50-3(1)","4560","High Reliability","-"]
[904,"Clc1cc(c(Cl)cc1)-c2ccccc2\nClc1ccc(Cl)c(c1)-c2ccccc2\n\n","Clc1ccc(c(c1)c1ccccc1)Cl","c1ccc(cc1)c2cc(ccc2Cl)Cl","",1,"2,5-DICHLOROBIPHENYL(1)","34883-39-1(1)","4600","High Reliability","-"]
[905,"Clc1cccc(Cl)c1-c2ccccc2\n\n\n","Clc1cccc(c1c1ccccc1)Cl","c1ccc(cc1)c2c(cccc2Cl)Cl","",1,"2,6-DICHLOROBIPHENYL(1)","33146-45-1(1)","4557","High Reliability","-"]
[906,"Clc1ccc(cc1)-c2c(Cl)cccc2\nClc1ccc(cc1)-c2ccccc2Cl\n\n","Clc1ccc(cc1)c1ccccc1Cl","c1ccc(c(c1)c2ccc(cc2)Cl)Cl","",1,"2,4'-DICHLOROBIPHENYL(1)","34883-43-7(1)","4601","High Reliability","-"]
[907,"Clc1cccc(c1)-c2cc(Cl)ccc2\n\n\n","Clc1cccc(c1)c1cccc(c1)Cl","c1cc(cc(c1)Cl)c2cccc(c2)Cl","",1,"3,3'-DICHLOROBIPHENYL(1)","2050-67-1(1)","3078","High Reliability","-"]
[908,"Clc1ccc(cc1)-c2ccc(Cl)cc2\n\n\n","Clc1ccc(cc1)c1ccc(cc1)Cl","c1cc(ccc1c2ccc(cc2)Cl)Cl","",1,"4,4'-DICHLOROBIPHENYL(1)","2050-68-2(1)","3079","High Reliability","-"]
[909,"Clc1ccc(cc1)-c2cc(Cl)ccc2\n\n\n","Clc1ccc(cc1)c1cccc(c1)Cl","c1cc(cc(c1)Cl)c2ccc(cc2)Cl","",1,"BIPHENYL, 3,4'-DICHLORO-(1)","2974-90-5(1)","3305","High Reliability","-"]
[910,"Clc1c(cccc1)-c2c(Cl)cccc2\nClc1ccccc1-c2ccccc2Cl\n\n","Clc1ccccc1c1ccccc1Cl","c1ccc(c(c1)c2ccccc2Cl)Cl","",1,"2,2'-DICHLOROBIPHENYL(1)","13029-08-8(1)","3949","High Reliability","-"]
[911,"Clc1c(Cl)cc(cc1)-c2ccccc2\nClc1ccc(cc1Cl)-c2ccccc2\n\n","Clc1ccc(cc1Cl)c1ccccc1","c1ccc(cc1)c2ccc(c(c2)Cl)Cl","",1,"3,4-DICHLOROBIPHENYL(1)","2974-92-7(1)","3306","High Reliability","-"]
[912,"Clc1cccc(c1Cl)-c2ccccc2\nClc1cccc(-c2ccccc2)c1Cl\n\n","Clc1c(Cl)cccc1c1ccccc1","c1ccc(cc1)c2cccc(c2Cl)Cl","",2,"2,3-DICHLOROBIPHENYL(1), Biphenyl, dichloro-(1)","16605-91-7(1), 25512-42-9(1)","4106, 4402","High Reliability","Checked on PubChem, Checked on ChemID"]
[913,"Clc1cccc(Cl)c1Oc2ccccc2\n\n\n","Clc1cccc(c1Oc1ccccc1)Cl","O(c1ccccc1)c2c(cccc2Cl)Cl","",1,"2,6-Dichlorodiphenyl ether(1)","28419-69-4(1)","4462","Medium Reliability","-"]
[914,"Clc1c(Cl)cc(Oc2ccccc2)cc1\n\n\n","Clc1ccc(cc1Cl)Oc1ccccc1","O(c1ccccc1)c2ccc(c(c2)Cl)Cl","",1,"3,4-Dichlorodiphenyl ether(1)","55538-69-7(1)","4914","Medium Reliability","-"]
[915,"Clc1ccc(Oc2ccc(Cl)cc2)cc1\n\n\n","Clc1ccc(cc1)Oc1ccc(cc1)Cl","O(c1ccc(cc1)Cl)c2ccc(cc2)Cl","",1,"4,4'-Dichlorodiphenyl ether(1)","2444-89-5(1)","3213","High Reliability","-"]
[916,"Clc1ccc(Oc2cc(Cl)ccc2)cc1\n\n\n","Clc1ccc(cc1)Oc1cccc(c1)Cl","O(c1ccc(cc1)Cl)c2cccc(c2)Cl","",1,"3,4'-Dichlorodiphenyl ether(1)","6842-62-2(1)","3787","High Reliability","Checked on PubChem, Checked on ChemID"]
[917,"Clc1ccc(Oc2ccccc2Cl)cc1\n\n\n","Clc1ccc(cc1)Oc1ccccc1Cl","O(c1ccc(cc1)Cl)c2ccccc2Cl","",1,"2,4'-DICHLORODIPHENYL ETHER(1)","6903-65-7(1)","3793","High Reliability","-"]
[918,"Clc1cc(Oc2ccccc2)cc(Cl)c1\n\n\n","Clc1cc(Oc2ccccc2)cc(c1)Cl","O(c1ccccc1)c2cc(cc(c2)Cl)Cl","",1,"3,5-Dichlorodiphenyl ether(1)","24910-68-7(1)","4370","High Reliability","Checked on PubChem, Checked on ChemID"]
[919,"Clc1cc(Oc2ccccc2)c(Cl)cc1\n\n\n","Clc1ccc(c(c1)Oc1ccccc1)Cl","O(c1ccccc1)c2cc(ccc2Cl)Cl","",1,"2,5-Dichlorodiphenyl ether(1)","24910-69-8(1)","4371","Medium Reliability","-"]
[920,"Clc1cc(Cl)c(Oc2ccccc2)cc1\n\n\n","Clc1ccc(c(c1)Cl)Oc1ccccc1","O(c1ccccc1)c2ccc(cc2Cl)Cl","",1,"2,4-Dichlorodiphenyl ether(1)","51892-26-3(1)","4821","Medium Reliability","-"]
[921,"CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)-c2c(Cl)cc(Cl)cc2\nCCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(n1)C(Cl)(Cl)Cl\n\n","CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)c1ccc(cc1Cl)Cl","O=C(OCC)c1nc(n(n1)c2ccc(cc2Cl)Cl)C(Cl)(Cl)Cl","",1,"FENCHLORAZOLE-ETHYL(1)","103112-35-2(1)","5479","High Reliability","-"]
[922,"ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl\n\n\n","ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C=C2)(Cl)Cl)Cl","C1=CC2CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl","",1,"ALDRIN(1)","309-00-2(1)","1716","High Reliability","Stereochemistry removed"]
[923,"[H]C12C3([H])CC(C=O)C4([H])C3([H])C5(Cl)C1(Cl)C2(Cl)C4(Cl)C5(Cl)Cl\nClC1(Cl)C2(Cl)C3C(CC4C3C1(Cl)C5(Cl)C4C25Cl)C=O\n\n","O=CC1CC2C3C1C1(Cl)C(C3(C3(C2C13Cl)Cl)Cl)(Cl)Cl","O=CC1CC2C3C1C4(C5(C2C5(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl","",1,"ENDRIN ALDEHYDE(1)","7421-93-4(1)","3841","High Reliability","Stereochemistry removed"]
[924,"ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl\n\n\n","ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl","O1C2C1C3CC2C4C3C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl","",2,"DIELDRIN(1), ENDRIN(1)","60-57-1(1), 72-20-8(1)","192, 293","High Reliability","Stereochemistry removed"]
[925,"Ic1cc2c(Nc3ccccc3S2)cc1\n\n\n","Ic1ccc2c(c1)Sc1c(N2)cccc1","c1ccc3c(c1)Nc2ccc(cc2S3)I","",1,"Phenothiazine, 3-iodo-(1)","3939-24-0(1)","3446","Medium Reliability","-"]
[926,"c1cc2c(nc1)c3c(cccn3)cc2\nc1cnc2c(c1)ccc3cccnc23\n\n","c1ccc2c(n1)c1ncccc1cc2","n2cccc3ccc1cccnc1c23","",1,"O-PHENANTHROLINE(1)","66-71-7(1)","244","High Reliability","-"]
[927,"c1cnc2c(c1)ccc3ncccc23\n\n\n","c1cnc2c(c1)ccc1c2cccn1","n1cccc3c1ccc2cccnc23","",1,"1,7-PHENANTHROLINE(1)","230-46-6(1)","1666","High Reliability","Checked on PubChem, Checked on ChemID"]
[928,"Oc1c(c(-c2ccccc2)c(cc1)N(=O)=O)N(=O)=O\nOc1ccc(c(-c2ccccc2)c1[N+]([O-])=O)[N+]([O-])=O\n\n","[O-][N+](=O)c1ccc(c(c1c1ccccc1)[N+](=O)[O-])O","O=[N+]([O-])c2ccc(O)c(c2(c1ccccc1))[N+](=O)[O-]","",1,"2,6-Dinitro-biphenyl-3-ol(1)","28174-58-5(1)","4458","Medium Reliability","-"]
[929,"Oc1c(cc(c(c1)-c2ccccc2)N(=O)=O)N(=O)=O\nOc1cc(-c2ccccc2)c(cc1[N+]([O-])=O)[N+]([O-])=O\n\n","[O-][N+](=O)c1cc([N+](=O)[O-])c(cc1c1ccccc1)O","O=[N+]([O-])c1cc(c(cc1(O))c2ccccc2)[N+](=O)[O-]","",1,"4,6-dinitro-biphenyl-3-ol(1)","21419-76-1(1)","4293","Medium Reliability","-"]
[930,"o1c2ccccc2c3c1cccc3\no1c2ccccc2c3ccccc13\n\n","c1ccc2c(c1)oc1c2cccc1","o2c1ccccc1c3ccccc23","",1,"DIBENZOFURAN(1)","132-64-9(1)","1505","High Reliability","-"]
[931,"O1c2ccccc2Oc3c1cccc3\n\n\n","c1ccc2c(c1)Oc1c(O2)cccc1","O1c3ccccc3(Oc2ccccc12)","",1,"DIBENZO-P-DIOXIN(1)","262-12-4(1)","1672","High Reliability","-"]
[932,"O=C1OCc2c1c3ccccc3cc2\nO=C1OCc2ccc3ccccc3c12\n\n","O=C1OCc2c1c1ccccc1cc2","O=C2OCc3ccc1ccccc1c23","",1,"Naphtho[1,2-c]furan-1(3H)-one(1)","5657-01-2(1)","3648","High Reliability","-"]
[933,"O=C1Cc2c(O1)ccc3ccccc23\n\n\n","O=C1Oc2c(C1)c1ccccc1cc2","O=C3Oc2ccc1ccccc1c2C3","",1,"naphtho[2,1-b]furan-2(1)h-one(1)","4352-63-0(1)","3482","Medium Reliability","Name verified in PubChem"]
[934,"COc1c2oc(=O)ccc2cc3c1occ3\n\n\n","COc1c2oc(=O)ccc2cc2c1occ2","O=C1Oc2c(OC)c3occc3(cc2(C=C1))","",1,"Methoxsalen(1)","298-81-7(1)","1695","High Reliability","-"]
[935,"OS(=O)(=O)c1cc2c(oc3ccccc23)cc1\nOS(=O)(=O)c1ccc2oc3ccccc3c2c1\n[O-]S(=O)(=O)c1ccc2oc3ccccc3c2c1\n","OS(=O)(=O)c1ccc2c(c1)c1ccccc1o2","O=S(=O)(O)c2ccc3oc1ccccc1c3(c2)","",1,"2-Dibenzofuransulfonic acid(1)","83863-63-2(1)","5296","High Reliability","-"]
[936,"s1c2c(cccc2)c3c1cccc3\ns1c2ccccc2c3ccccc13\n\n","c1ccc2c(c1)sc1c2cccc1","c1ccc3c(c1)c2ccccc2s3","",1,"DIBENZOTHIOPHENE(1)","132-65-0(1)","1506","High Reliability","-"]
[937,"Brc1ccc(cc1)-c2ccccc2\n\n\n","Brc1ccc(cc1)c1ccccc1","c1ccc(cc1)c2ccc(cc2)Br","",1,"4-BROMOBIPHENYL(1)","92-66-0(1)","689","High Reliability","-"]
[938,"Clc1cccc(c1)-c2ccccc2\n\n\n","Clc1cccc(c1)c1ccccc1","c1ccc(cc1)c2cccc(c2)Cl","",1,"3-CHLOROBIPHENYL(1)","2051-61-8(1)","3085","High Reliability","-"]
[939,"Clc1ccc(cc1)-c2ccccc2\n\n\n","Clc1ccc(cc1)c1ccccc1","c1ccc(cc1)c2ccc(cc2)Cl","",1,"4-CHLOROBIPHENYL(1)","2051-62-9(1)","3086","High Reliability","-"]
[940,"Clc1c(cccc1)-c2ccccc2\nClc1ccccc1-c2ccccc2\n\n","Clc1ccccc1c1ccccc1","c1ccc(cc1)c2ccccc2Cl","",1,"2-CHLOROBIPHENYL(1)","2051-60-7(1)","3084","High Reliability","-"]
[941,"CC1(OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2)C=C\n\n\n","C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl","O=C1OC(C=C)(C(=O)N1c2cc(cc(c2)Cl)Cl)C","",1,"VINCLOZOLIN(1)","50471-44-8(1)","4783","High Reliability","-"]
[942,"CNc1c(Cl)c(=O)n(nc1)-c2cccc(c2)C(F)(F)F\n\n\n","CNc1cnn(c(=O)c1Cl)c1cccc(c1)C(F)(F)F","O=C1C(=C(C=NN1c2cccc(c2)C(F)(F)F)NC)Cl","",1,"NORFLURAZON(1)","27314-13-2(1)","4444","High Reliability","-"]
[943,"Clc1ccc(cc1)N=Nc2ccccc2\n\n\n","Clc1ccc(cc1)N=Nc1ccccc1","N(=Nc1ccc(cc1)Cl)c2ccccc2","",1,"4-CHLOROAZOBENZENE(1)","4340-77-6(1)","3480","High Reliability","Checked on PubChem, Checked on ChemID"]
[944,"Nc1c(ccc(Oc2ccccc2)c1Cl)[N+]([O-])=O\n\n\n","Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1","O=[N+]([O-])c2ccc(Oc1ccccc1)c(c2(N))Cl","",1,"ACLONIFEN(1)","74070-46-5(1)","5190","High Reliability","-"]
[945,"Clc1cccc(Oc2ccccc2)c1\n\n\n","Clc1cccc(c1)Oc1ccccc1","O(c1ccccc1)c2cccc(c2)Cl","",1,"3-chlorodiphenylether(1)","6452-49-9(1)","3754","High Reliability","Name verified in PubChem"]
[946,"Clc1ccc(Oc2ccccc2)cc1\n\n\n","Clc1ccc(cc1)Oc1ccccc1","O(c1ccccc1)c2ccc(cc2)Cl","",1,"4-CHLOROPHENYL PHENYL ETHER(1)","7005-72-3(1)","3808","High Reliability","-"]
[947,"Clc1ccccc1Oc2ccccc2\n\n\n","Clc1ccccc1Oc1ccccc1","O(c1ccccc1)c2ccccc2Cl","",1,"2-Chlorodiphenyl ether(1)","2689-07-8(1)","3275","High Reliability","-"]
[948,"Cc1nc2nc(nn2cc1)S(=O)(=O)Nc3c(F)cccc3F\n\n\n","Cc1ccn2c(n1)nc(n2)S(=O)(=O)Nc1c(F)cccc1F","O=S(=O)(Nc1c(F)cccc1(F))c2nc3nc(ccn3(n2))C","",1,"FLUMETSULAM(1)","98967-40-9(1)","5434","High Reliability","-"]
[949,"[nH]1c2ccccc2c3c1cccc3\n[nH]1c2ccccc2c3ccccc13\n\n","c1ccc2c(c1)[nH]c1c2cccc1","c1ccc3c(c1)[nH]c2ccccc23","",1,"CARBAZOLE(1)","86-74-8(1)","575","High Reliability","-"]
[950,"Oc1ccc(cc1)N=Nc2ccc(cc2)[N+]([O-])=O\n[O-][N+](=O)c1ccc(NN=C2C=CC(=O)C=C2)cc1\n\n","Oc1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c2ccc(N=Nc1ccc(O)cc1)cc2","",1,"4-(4-NITROPHENYLAZO)PHENOL(1)","1435-60-5(1)","2902","High Reliability","-"]
[951,"[O-][N+](=O)c1cc(c(Nc2ccccc2)cc1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc(ccc1Nc1ccccc1)[N+](=O)[O-]","O=[N+]([O-])c2ccc(Nc1ccccc1)c(c2)[N+](=O)[O-]","",1,"2,4-DINITRO-N-PHENYLBENZENAMINE(1)","961-68-2(1)","2778","High Reliability","-"]
[952,"Oc1ccc(Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1\n\n\n","Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c2ccc(Nc1ccc(O)cc1)c(c2)[N+](=O)[O-]","",1,"P-(2,4-DINITROANILINE)PHENOL(1)","119-15-3(1)","1332","Medium Reliability","-"]
[953,"Oc1ncnc2c1cnn2COC(=O)c3cnccc3\n\n\n","O=C(c1cccnc1)OCn1ncc2c1ncnc2O","O=C(OCn2ncc1c(O)ncnc12)c3cnccc3","",1,"ALLOPURINOL, 1-[NICOTINOYLOXYMETHYL]-(1)","98846-66-3(1)","5432","Medium Reliability","Checked on PubChem"]
[954,"[O-][N+](=O)c1ccc2CCc3cccc1c23\n\n\n","[O-][N+](=O)c1ccc2c3c1cccc3CC2","O=[N+]([O-])c3ccc2c1c3(cccc1CC2)","",1,"ACENAPHTHYLENE, 1,2-DIHYDRO-5-NITRO-(1)","602-87-9(1)","2370","High Reliability","-"]
[955,"[O-][N+](=O)c1ccc(cc1)-c2ccccc2\n\n\n","[O-][N+](=O)c1ccc(cc1)c1ccccc1","O=[N+]([O-])c1ccc(cc1)c2ccccc2","",1,"P-NITROBIPHENYL(1)","92-93-3(1)","694","High Reliability","-"]
[956,"Oc1c(cc(cc1)-c2ccccc2)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc(ccc1O)c1ccccc1","O=[N+]([O-])c1cc(ccc1(O))c2ccccc2","",1,"4-PHENYL-2-NITROPHENOL(1)","885-82-5(1)","2731","Medium Reliability","-"]
[957,"Oc1c(ccc(c1)-c2ccccc2)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(cc1O)c1ccccc1","O=[N+]([O-])c1ccc(cc1(O))c2ccccc2","",1,"[1,1'-Biphenyl]-3-ol, 4-nitro-(1)","18062-89-0(1)","4178","High Reliability","-"]
[958,"Oc1cc2c(Nc3ccccc3S2)cc1\n\n\n","Oc1ccc2c(c1)Sc1c(N2)cccc1","Oc2ccc3Nc1ccccc1Sc3(c2)","",1,"10H-Phenothiazin-3-ol(1)","1927-44-2(1)","3031","High Reliability","-"]
[959,"N1c2ccccc2Sc3c1cccc3\n\n\n","c1ccc2c(c1)Sc1c(N2)cccc1","c1ccc3c(c1)Nc2ccccc2S3","",1,"PHENOTHIAZINE(1)","92-84-2(1)","691","High Reliability","-"]
[960,"Clc1cc2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c23)c(Cl)c1Cl\n\n\n","Clc1cc2c(c(c1Cl)Cl)oc1c2c(Cl)c(c(c1Cl)Cl)Cl","o2c1c(cc(c(c1Cl)Cl)Cl)c3c2c(c(c(c3Cl)Cl)Cl)Cl","",1,"DIBENZOFURAN, 1,2,3,4,6,7,8-HEPTACHLORO-(1)","67562-39-4(1)","5084","High Reliability","-"]
[961,"Clc1c(Cl)c(Cl)c2Oc3c(Oc2c1)c(Cl)c(Cl)c(Cl)c3Cl\nClc1cc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2c(Cl)c1Cl\nClc1cc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2c(Cl)c1Cl\n","Clc1c(Cl)cc2c(c1Cl)Oc1c(O2)c(Cl)c(c(c1Cl)Cl)Cl","O1c3cc(c(c(c3(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl))Cl)Cl)Cl","",2,"1,2,3,4,6,7,8-HEPTACHLORODIBENZO-P-DIOXIN(1), HEPTACHLORODIBENZO-P-DIOXIN(1)","35822-46-9(1), 37871-00-4(1)","4623, 4655","High Reliability","Manual Check passed"]
[962,"Clc1cc(Cl)c(Cl)c(Cl)c1-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\nClc1cc(Cl)c(c(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n","Clc1c(Cl)cc(c(c1Cl)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl","c2c(c(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c(c(c2Cl)Cl)Cl)Cl","",1,"1,1'-Biphenyl, 2,2',3,3',4,4',5,6,6'-nonachloro-(1)","52663-79-3(1)","4857","High Reliability","-"]
[963,"Clc1cc(Cl)c(Cl)c(c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n\n","Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)c1c(Cl)c(Cl)cc(c1Cl)Cl","c2c(c(c(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c(c2Cl)Cl)Cl)Cl","",1,"2,3,4,5,6,2',3',5',6'-PCB(1)","52663-77-1(1)","4855","Medium Reliability","-"]
[964,"Clc1cc(c(Cl)c(Cl)c1Cl)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl\n\n\n","Clc1cc(c(c(c1Cl)Cl)Cl)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl","c2c(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl","",2,"2,2',3,3',4,4',5,5',6-NONACHLOROBIPHENYL(1), NONACHLORO-1,1'-BIPHENYL(1)","40186-72-9(1), 53742-07-7(1)","4729, 4875","High Reliability","Checked on PubChem, Checked on ChemID"]
[965,"C1c2c(cccc2)-c3c1cccc3\nC1c2ccccc2-c3ccccc13\n\n","c1ccc2c(c1)Cc1c2cccc1","c1ccc3c(c1)c2ccccc2C3","",1,"9H-FLUORENE(1)","86-73-7(1)","574","High Reliability","-"]
[966,"COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c2ccccc2\n\n\n","COP(=S)(c1ccccc1)Oc1cc(Cl)c(cc1Cl)Br","O(c1cc(c(cc1Cl)Br)Cl)P(OC)(c2ccccc2)=S","",1,"LEPTOPHOS(1)","21609-90-5(1)","4298","High Reliability","-"]
[967,"Oc1c(Cl)cc(Cl)cc1Cc2ccccc2\n\n\n","Clc1cc(Cc2ccccc2)c(c(c1)Cl)O","Oc1c(cc(cc1Cl)Cl)Cc2ccccc2","",1,"Phenol, 2,4-dichloro-6-(phenylmethyl)-(1)","19578-81-5(1)","4231","High Reliability","-"]
[968,"COc1cc2c(Nc3c(S2)ccc(Cl)c3)cc1\n\n\n","COc1ccc2c(c1)Sc1c(N2)cc(cc1)Cl","O(c2ccc3Nc1cc(ccc1Sc3(c2))Cl)C","",1,"10H-Phenothiazine, 2-chloro-7-methoxy-(1)","1730-44-5(1)","2973","High Reliability","-"]
[969,"ON(C(=O)c1ccccc1I)c2ccccc2\n\n\n","Ic1ccccc1C(=O)N(c1ccccc1)O","O=C(c1ccccc1I)N(O)c2ccccc2","",1,"Benzamide, N-hydroxy-2-iodo-N-phenyl-(1)","37433-80-0(1)","4644","Medium Reliability","-"]
[970,"Nc1cccc2cc3ccccc3nc12\nNc1cccc2c1cc3ccccc3n2\n\n","Nc1cccc2c1nc1ccccc1c2","n1c3ccccc3(cc2cccc(N)c12)","",1,"1-aminoacridine(1)","578-06-3(1)","2216","High Reliability","Name verified in PubChem"]
[971,"OC(=O)c1ccc(NC(=O)c2cnccc2)cc1\n\n\n","O=C(c1cccnc1)Nc1ccc(cc1)C(=O)O","O=C(O)c1ccc(cc1)NC(=O)c2cnccc2","",1,"Benzoic acid, 4-[(3-pyridinylcarbonyl)amino]-(1)","5768-40-1(1)","3660","High Reliability","-"]
[972,"OC(=O)c1c(O)ccc(c1)N=Nc2ccccc2\nOC(=O)c1cc(ccc1O)N=Nc2ccccc2\nOC(=O)C1=CC(C=CC1=O)=NNc2ccccc2\n","OC(=O)c1cc(N=Nc2ccccc2)ccc1O","O=C(O)c2cc(N=Nc1ccccc1)ccc2(O)","",1,"Benzoic acid, 2-hydroxy-5-(phenylazo)-(1)","3147-53-3(1)","3338","High Reliability","Stereochemistry removed"]
[973,"O=C1N(C2CCC(=O)NC2=O)C(=O)c3ccccc13\n\n\n","O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2","O=C3NC(=O)C(N2C(=O)c1ccccc1C2(=O))CC3","",1,"THALIDOMIDE(1)","50-35-1(1)","20","High Reliability","-"]
[974,"[Na+].[Na+].Oc1c(cc(cc1)N=Nc2ccc(cc2)S([O-])(=O)=O)C([O-])=O\n\n\n","OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)O)ccc1O","O=C(O)c2cc(N=Nc1ccc(cc1)S(=O)(=O)O)ccc2(O)","",1,"C.I. 14010(1)","6054-99-5(1)","3698","Medium Reliability","Organic counterion, Checked on PubChem, Checked on ChemID"]
[975,"Oc1ncnc2c1cnn2COC(=O)c3ccccc3\n\n\n","O=C(c1ccccc1)OCn1ncc2c1ncnc2O","O=C(OCn2ncc1c(O)ncnc12)c3ccccc3","",1,"ALLOPURINOL, 1-[BENZOYLOXYMETHYL]-(1)","98846-65-2(1)","5431","Medium Reliability","Checked on PubChem"]
[976,"O=C(c1ccccc1)c2ccccc2\n\n\n","O=C(c1ccccc1)c1ccccc1","O=C(c1ccccc1)c2ccccc2","",1,"BENZOPHENONE(1)","119-61-9(1)","1342","High Reliability","-"]
[977,"Oc1c(cccc1)C(=O)Oc2ccccc2\nOc1ccccc1C(=O)Oc2ccccc2\n\n","O=C(c1ccccc1O)Oc1ccccc1","O=C(Oc1ccccc1)c2ccccc2(O)","",1,"PHENYL 2-HYDROXYBENZOATE(1)","118-55-8(1)","1321","High Reliability","-"]
[978,"Oc1cc(O)c(C(=O)c2ccccc2)c(O)c1\n\n\n","Oc1cc(O)c(c(c1)O)C(=O)c1ccccc1","O=C(c1ccccc1)c2c(O)cc(O)cc2(O)","",1,"2,4,6-Trihydroxybenzophenone(1)","3555-86-0(1)","3395","High Reliability","-"]
[979,"Oc1cc(O)c(C(=O)c2cc(O)c(O)cc2)c(O)c1\nOc1cc(O)c(c(O)c1)C(=O)c2ccc(O)c(O)c2\n\n","Oc1cc(O)c(c(c1)O)C(=O)c1ccc(c(c1)O)O","O=C(c1ccc(O)c(O)c1)c2c(O)cc(O)cc2(O)","",1,"Maclurin(1)","519-34-6(1)","1980","High Reliability","-"]
[980,"CC12CC1(C)C(=O)N(C2=O)c3cc(Cl)cc(Cl)c3\n\n\n","O=C1N(c2cc(Cl)cc(c2)Cl)C(=O)C2(C1(C)C2)C","O=C2N(c1cc(cc(c1)Cl)Cl)C(=O)C3(C)(CC23(C))","",1,"PROCYMIDONE(1)","32809-16-8(1)","4550","High Reliability","-"]
[981,"CCOC(=O)C1(C)OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2\n\n\n","CCOC(=O)C1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl","O=C1OC(C(=O)OCC)(C(=O)N1c2cc(cc(c2)Cl)Cl)C","",2,"CHLOZOLINATE(1), Chlozolinate(1)","72391-46-9(1), 84332-86-5(1)","5173, 5298","High Reliability","-"]
[982,"CCc1c(C(O)=O)c(=O)cnn1-c2ccc(Cl)cc2\n\n\n","CCc1c(C(=O)O)c(=O)cnn1c1ccc(cc1)Cl","O=C(O)C=2C(=O)C=NN(c1ccc(cc1)Cl)C=2CC","",1,"Clofencet(1)","129025-54-3(1)","5670","High Reliability","-"]
[983,"Oc1c(Cc2ccccc2)cc(Cl)cc1\n\n\n","Clc1ccc(c(c1)Cc1ccccc1)O","Oc1ccc(cc1Cc2ccccc2)Cl","",1,"5-CHLORO-2-HYDROXYDIPHENYLMETHANE(1)","120-32-1(1)","1355","High Reliability","-"]
[984,"OC(c1ccccc1)c2ccc(Cl)cc2\n\n\n","Clc1ccc(cc1)C(c1ccccc1)O","OC(c1ccccc1)c2ccc(cc2)Cl","",1,"BENZENEMETHANOL, 4-CHLORO-.ALPHA.-PHENYL-(1)","119-56-2(1)","1341","High Reliability","-"]
[985,"Nc1cc2nc3cc(N)ccc3cc2cc1\nCl.Nc1cc2nc3cc(N)ccc3cc2cc1\n[H+].[H+].[Cl-].[Cl-].Nc1ccc2cc3ccc(N)cc3nc2c1\nO.[Cl-].[Cl-].Nc1ccc2cc3ccc(N)cc3nc2c1.Nc1ccc2cc3ccc(N)cc3nc2c1.[H+].[H+]","Nc1ccc2c(c1)nc1c(c2)ccc(c1)N","n1c3cc(N)ccc3(cc2ccc(N)cc12)","",2,"3,6-DIAMINOACRIDINE(1), Proflavine hydrochloride(1)","92-62-6(1), 952-23-8(1)","688, 2772","High Reliability","Differences in counterions, Organic counterion"]
[986,"OC(N=C(O)c1cnccc1)=Nc2ccccc2\nO=C(NC(=O)c1cccnc1)Nc2ccccc2\n\n","OC(=Nc1ccccc1)N=C(c1cccnc1)O","OC(N=C(O)c1cnccc1)=Nc2ccccc2","",1,"3-Pyridinecarboxamide, N-[(phenylamino)carbonyl](1)","26972-01-0(1)","4437","Medium Reliability","-"]
[987,"Oc1c(C=NNC(=O)c2ccncc2)cccc1\nO=C(NNC=C1C=CC=CC1=O)c2ccncc2\n\n","O=C(c1ccncc1)NN=Cc1ccccc1O","O=C(NN=Cc1ccccc1(O))c2ccncc2","",1,"Salinazid(1)","495-84-1(1)","1891","High Reliability","Stereochemistry removed"]
[988,"ON=C1C=CC(C=C1)=NNC(=O)c2ccccc2\nO=Nc1ccc(NNC(=O)c2ccccc2)cc1\n\n","ON=C1C=CC(=NNC(=O)c2ccccc2)C=C1","O=C(NN=C1C=CC(=NO)C=C1)c2ccccc2","",1,"BAYER 15080(1)","495-73-8(1)","1890","High Reliability","-"]
[989,"Nc1ccc(cc1)S(=O)(=O)Nc2sc3ccccc3n2\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)cccc2","O=S(=O)(Nc2nc1ccccc1s2)c3ccc(N)cc3","",1,"Benzenesulfonamide, 4-amino-N-2-benzothiazolyl-(1)","6138-01-8(1)","3705","Medium Reliability","Checked on PubChem"]
[990,"Oc1c(cccc1)C(=O)Nc2ccccc2\nOc1ccccc1C(=O)Nc2ccccc2\n\n","O=C(c1ccccc1O)Nc1ccccc1","O=C(Nc1ccccc1)c2ccccc2(O)","",1,"SALICYLANILIDE(1)","87-17-2(1)","582","High Reliability","-"]
[991,"Nc1cc(O)c(cc1)C(=O)Oc2ccccc2\nNc1ccc(c(O)c1)C(=O)Oc2ccccc2\n\n","Nc1ccc(c(c1)O)C(=O)Oc1ccccc1","O=C(Oc1ccccc1)c2ccc(N)cc2(O)","",1,"PHENYL-4-AMINOSALICYLATE(1)","133-11-9(1)","1511","Medium Reliability","-"]
[992,"Oc1cc(cc(O)c1O)C(=O)Nc2ccccc2\n\n\n","O=C(c1cc(O)c(c(c1)O)O)Nc1ccccc1","O=C(Nc1ccccc1)c2cc(O)c(O)c(O)c2","",1,"Benzamide, 3,4,5-trihydroxy-N-phenyl-(1)","6262-27-7(1)","3722","High Reliability","-"]
[993,"CCn1cc(C(O)=O)c(=O)c2cc3c(OCO3)cc12\n\n\n","CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2","O=C(O)C1=CN(c2cc3OCOc3(cc2(C1(=O))))CC","",1,"OXOLINIC ACID(1)","14698-29-4(1)","4041","High Reliability","-"]
[994,"CN1c2ccccc2Sc3c1cccc3\nCN1c2ccccc2Sc3ccccc13\n\n","CN1c2ccccc2Sc2c1cccc2","c1ccc3c(c1)N(c2ccccc2S3)C","",1,"10H-phenothiazine, 10-methyl-(1)","1207-72-3(1)","2875","High Reliability","-"]
[995,"Cc1ccc(cc1)-c2ccccc2\n\n\n","Cc1ccc(cc1)c1ccccc1","c1ccc(cc1)c2ccc(cc2)C","",1,"4-METHYL-1,1'-BIPHENYL(1)","644-08-6(1)","2609","High Reliability","-"]
[996,"C(c1ccccc1)c2ccccc2\n\n\n","c1ccc(cc1)Cc1ccccc1","c1ccc(cc1)Cc2ccccc2","",1,"BENZENE, 1,1'-METHYLENEBIS-(1)","101-81-5(1)","912","High Reliability","-"]
[997,"Clc1cc(Cl)c(cc1)C2(Cn3cncn3)CC(Br)CO2\nClc1ccc(c(Cl)c1)C2(CC(Br)CO2)Cn3cncn3\n\n","BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl","n1cnn(c1)CC2(OCC(C2)Br)(c3ccc(cc3Cl)Cl)","",1,"BROMUCONAZOLE(1)","116255-48-2(1)","5603","High Reliability","-"]
[998,"Nc1c(Cl)cc(Cc2cc(Cl)c(N)cc2)cc1\n\n\n","Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N","Nc1ccc(cc1Cl)Cc2ccc(N)c(c2)Cl","",1,"4,4'-METHYLENEBIS(2-CHLOROANILINE)(1)","101-14-4(1)","905","High Reliability","-"]
[999,"Oc1cc2ccccc2cc1C3=NCCN3\n\n\n","Oc1cc2ccccc2cc1C1=NCCN1","Oc1cc3ccccc3(cc1C2=NCCN2)","",1,"2-Naphthol, 3-(2-imidazolin-2-yl)-(1)","16173-26-5(1)","4095","Medium Reliability","-"]
[1000,"O=C(Nc1ccccc1)Nc2ccccc2\n\n\n","O=C(Nc1ccccc1)Nc1ccccc1","O=C(Nc1ccccc1)Nc2ccccc2","",1,"DIPHENYLUREA, SYM(1)","102-07-8(1)","915","Medium Reliability","-"]
[1001,"C=CCC1(C(=O)NC(=O)NC1=O)c2ccccc2\n\n\n","C=CCC1(C(=O)NC(=O)NC1=O)c1ccccc1","O=C1NC(=O)C(C(=O)N1)(c2ccccc2)CC=C","",1,"PHENALLYMAL(1)","115-43-5(1)","1283","High Reliability","-"]
[1002,"Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2\n\n\n","Nc1ccc(cc1)S(=O)(=O)NC(=O)c1ccccc1","O=C(NS(=O)(=O)c1ccc(N)cc1)c2ccccc2","",1,"Benzamide, N- (4-aminophenyl)sulfonyl -(1)","127-71-9(1)","1477","Medium Reliability","-"]
[1003,"OC(c1ccccc1)c2ccccc2\n\n\n","OC(c1ccccc1)c1ccccc1","OC(c1ccccc1)c2ccccc2","",1,"BENZHYDROL(1)","91-01-0(1)","661","High Reliability","-"]
[1004,"Oc1ccc(Cc2ccccc2)cc1\n\n\n","Oc1ccc(cc1)Cc1ccccc1","Oc1ccc(cc1)Cc2ccccc2","",1,"4-HYDROXYDIPHENYLMETHANE(1)","101-53-1(1)","910","High Reliability","-"]
[1005,"CCOc1ccc(C(O)=O)c2ccccc12\n\n\n","CCOc1ccc(c2c1cccc2)C(=O)O","O=C(O)c1ccc(OCC)c2ccccc12","",1,"1-Naphthoic acid, 4-ethoxy-(1)","19692-24-1(1)","4235","Medium Reliability","Checked on PubChem"]
[1006,"CC(C)NC(=O)N1CC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2\n\n\n","CC(NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)C","O=C(NC(C)C)N2C(=O)N(c1cc(cc(c1)Cl)Cl)C(=O)C2","",1,"ROVRAL (IPRODIONE)(1)","36734-19-7(1)","4636","Medium Reliability","-"]
[1007,"N=C(Nc1ccccc1)Nc2ccccc2\nNC(Nc1ccccc1)=Nc2ccccc2\n\n","N=C(Nc1ccccc1)Nc1ccccc1","N=C(Nc1ccccc1)Nc2ccccc2","",1,"N,N'-DIPHENYLGUANIDINE(1)","102-06-7(1)","914","High Reliability","-"]
[1008,"COP(=O)(Oc1ccccc1)Oc2ccccc2\n[O-]P([O-])(=O)OC(c1ccccc1)c2ccccc2\n\n","COP(=O)(Oc1ccccc1)Oc1ccccc1","O=P(Oc1ccccc1)(Oc2ccccc2)OC","",1,"diphenylmethylphosphate(1)","115-89-9(1)","1291","Medium Reliability","Name verified in PubChem"]
[1009,"CC(C)c1cccc2ccccc12\n\n\n","CC(c1cccc2c1cccc2)C","c1ccc2c(c1)cccc2C(C)C","",1,"ISOPROPYLNAPHTHALENE(1)","29253-36-9(1)","4479","High Reliability","Checked on PubChem, Checked on ChemID"]
[1010,"Cc1cc2cc(C)c(C)cc2cc1\n\n\n","Cc1ccc2c(c1)cc(c(c2)C)C","c1cc(cc2cc(c(cc12)C)C)C","",1,"2,3,6-TRIMETHYLNAPHTHALENE(1)","829-26-5(1)","2706","High Reliability","-"]
[1011,"Cc1ccc(C)c2c(C)cccc12\n\n\n","Cc1ccc(c2c1cccc2C)C","c1cc2c(c(c1)C)c(ccc2C)C","",1,"1,4,5-TRIMETHYLNAPHTHALENE(1)","2131-41-1(1)","3101","High Reliability","-"]
[1012,"CCN(CC(C)=C)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O\n\n\n","CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC(=C)C","O=[N+]([O-])c1cc(cc(c1N(CC(=C)C)CC)[N+](=O)[O-])C(F)(F)F","",1,"ETHALFLURALIN(1)","55283-68-6(1)","4905","High Reliability","-"]
[1013,"Nc1ccc(Cc2ccc(N)cc2)cc1\n\n\n","Nc1ccc(cc1)Cc1ccc(cc1)N","Nc1ccc(cc1)Cc2ccc(N)cc2","",1,"DI-(P-AMINOPHENYL)METHANE(1)","101-77-9(1)","911","Medium Reliability","-"]
[1014,"CCOc1c2ncccc2c(cc1)N=C(C)O\nCCOc1ccc(NC(C)=O)c2cccnc12\n\n","CCOc1ccc(c2c1nccc2)N=C(O)C","OC(=Nc1ccc(OCC)c2ncccc12)C","",1,"Quinoline, 5-acetamido-8-ethoxy-(1)","100795-24-2(1)","5452","Medium Reliability","-"]
[1015,"CC(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O\nCC(=O)NC(Cc1c[nH]c2ccccc12)C([O-])=O\n\n","CC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2","O=C(O)C(NC(=O)C)Cc2c[nH]c1ccccc12","",1,"N-acetyl-DL-tryptophan(1)","87-32-1(1)","585","Medium Reliability","Stereochemistry removed"]
[1016,"CN1C(=O)C23CC4=CC=CC(O)C4N2C(=O)C1(CO)SS3\n\n\n","OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C","O=C2N(C)C4(C(=O)N3C1C(=CC=CC1(O))CC23SS4)(CO)","",1,"GLIOTOXIN(1)","67-99-2(1)","257","High Reliability","Stereochemistry removed"]
[1017,"CCCC(Cn1cncn1)c2c(Cl)cc(Cl)cc2\nCCCC(Cn1cncn1)c2ccc(Cl)cc2Cl\n\n","CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1","n1cnn(c1)CC(c2ccc(cc2Cl)Cl)CCC","",1,"Penconazole(1)","66246-88-6(1)","5060","High Reliability","-"]
[1018,"COC(=O)c1c(n(C)nc1Cl)S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2\n\n\n","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl","O=C(OC)c1c(nn(c1S(=O)(=O)NC(=O)Nc2nc(OC)cc(n2)OC)C)Cl","",1,"HALOSULFURON-METHYL(1)","100784-20-1(1)","5451","High Reliability","-"]
[1019,"CN(C)C(=O)Oc1cc(C)nn1-c2ccccc2\n\n\n","O=C(N(C)C)Oc1cc(nn1c1ccccc1)C","O=C(Oc1cc(nn1c2ccccc2)C)N(C)C","",1,"PYROLAN(1)","87-47-8(1)","589","High Reliability","-"]
[1020,"CC(C)C1(C)N=C(NC1=O)c2ncccc2C(O)=O\n\n\n","CC(C1(C)N=C(NC1=O)c1ncccc1C(=O)O)C","O=C(O)c2cccnc2(C1=NC(C(=O)N1)(C)C(C)C)","",1,"IMAZAPYR(1)","81334-34-1(1)","5261","High Reliability","-"]
[1021,"CC(=O)N(c1c(C)c(C)no1)S(=O)(=O)c2ccc(N)cc2\n\n\n","Nc1ccc(cc1)S(=O)(=O)N(c1onc(c1C)C)C(=O)C","O=C(N(c1onc(c1C)C)S(=O)(=O)c2ccc(N)cc2)C","",1,"Acetyl sulfisoxazole(1)","80-74-0(1)","500","Medium Reliability","-"]
[1022,"CC1=C(CCCO1)C(=O)Nc2ccccc2\n\n\n","O=C(C1=C(C)OCCC1)Nc1ccccc1","O=C(Nc1ccccc1)C2=C(OCCC2)C","",1,"PYRACARBOLID(1)","24691-76-7(1)","4363","High Reliability","-"]
[1023,"O=C(N1CCCCCC1=O)c2ccccc2\n\n\n","O=C1CCCCCN1C(=O)c1ccccc1","O=C(c1ccccc1)N2C(=O)CCCCC2","",1,"2H-Azepin-2-one, 1-benzoylhexahydro-(1)","6248-28-8(1)","3720","High Reliability","-"]
[1024,"CC(=O)OCC(C(OC(C)=O)c1ccccc1)[N+]([O-])=O\n\n\n","CC(=O)OC(C([N+](=O)[O-])COC(=O)C)c1ccccc1","O=C(OCC([N+](=O)[O-])C(OC(=O)C)c1ccccc1)C","",2,"Fenitropan(1), 1,3-Propanediol, 2-nitro-1-phenyl-, diacetate (e(1)","65934-95-4(1), 65934-94-3(1)","5057, 5056","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed, Manual Check passed"]
[1025,"CNC1(CCCCC1=O)c2c(Cl)cccc2\nCl.CNC1(CCCCC1=O)c2ccccc2Cl\nCNC1(CCCCC1=O)c2ccccc2Cl\n[H+].[Cl-].CNC1(CCCCC1=O)c2ccccc2Cl","CNC1(CCCCC1=O)c1ccccc1Cl","O=C2CCCCC2(NC)(c1ccccc1Cl)","",1,"KETAMINE(1)","1867-66-9(1)","3005","High Reliability","Differences in counterions"]
[1026,"CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O\n\n\n","CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC","O=[N+]([O-])c1cc(cc(c1N(CCC)CCC)[N+](=O)[O-])C(F)(F)F","",1,"TRIFLURALIN(1)","1582-09-8(1)","2934","High Reliability","-"]
[1027,"CCCCN(CC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O\n\n\n","CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC","O=[N+]([O-])c1cc(cc(c1N(CC)CCCC)[N+](=O)[O-])C(F)(F)F","",1,"BENEFIN(1)","1861-40-1(1)","3003","High Reliability","-"]
[1028,"COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(cnn2C)-c3nn(C)nn3)n1\n\n\n","COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C","O=C(Nc1nc(OC)cc(n1)OC)NS(=O)(=O)c2c(cnn2C)c3nnn(n3)C","",1,"Azimsulfuron(1)","120162-55-2(1)","5637","High Reliability","-"]
[1029,"[O-][N+](=O)c1ccc(o1)C=NN2CC(CN3CCOCC3)OC2=O\n\n\n","O=C1OC(CN1N=Cc1ccc(o1)[N+](=O)[O-])CN1CCOCC1","O=C2OC(CN2(N=Cc1oc(cc1)[N+](=O)[O-]))CN3CCOCC3","",1,"Furaltadone(1)","139-91-3(1)","1550","High Reliability","Stereochemistry removed"]
[1030,"CCOP(=S)(OCC)Oc1noc(c1)-c2ccccc2\n\n\n","CCOP(=S)(Oc1noc(c1)c1ccccc1)OCC","n1oc(cc1OP(OCC)(OCC)=S)c2ccccc2","",1,"ISOXATHION(1)","18854-01-8(1)","4211","High Reliability","-"]
[1031,"CCCCOC(=O)C=Cc1ccccc1\n\n\n","CCCCOC(=O)C=Cc1ccccc1","O=C(OCCCC)C=Cc1ccccc1","",1,"BUTYL CINNAMATE(1)","538-65-8(1)","2052","High Reliability","Stereochemistry removed"]
[1032,"OCC1OC(Oc2ccccc2C=O)C(O)C(O)C1O\n\n\n","OCC1OC(Oc2ccccc2C=O)C(C(C1O)O)O","O=Cc2ccccc2(OC1OC(CO)C(O)C(O)C1(O))","",1,"Helicin(1)","618-65-5(1)","2465","High Reliability","Stereochemistry removed"]
[1033,"CCOC(=O)CCCOc1c(C)cc(Cl)cc1\n\n\n","CCOC(=O)CCCOc1ccc(cc1C)Cl","O=C(OCC)CCCOc1ccc(cc1C)Cl","",1,"MCPB-ETHYL(1)","10443-70-6(1)","3920","Medium Reliability","-"]
[1034,"CCCN(CCC)c1c(c(N)c(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O\nCCCN(CCC)c1c(cc(c(N)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O\n\n","CCCN(c1c(cc(c(c1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-])CCC","O=[N+]([O-])c1cc(c(N)c(c1N(CCC)CCC)[N+](=O)[O-])C(F)(F)F","",1,"PRODIAMINE(1)","29091-21-2(1)","4473","High Reliability","-"]
[1035,"CN(C)c1c(C)n(C)n(c1=O)-c2ccccc2\n\n\n","CN(c1c(C)n(n(c1=O)c1ccccc1)C)C","O=C2C(=C(N(N2(c1ccccc1))C)C)N(C)C","",1,"AMINOPYRINE(1)","58-15-1(1)","145","High Reliability","-"]
[1036,"CN(C)C(=O)C(=O)N(N(C)C(C)=O)c1ccccc1\n\n\n","CN(C(=O)C(=O)N(N(C(=O)C)C)c1ccccc1)C","O=C(C(=O)N(C)C)N(c1ccccc1)N(C(=O)C)C","",1,"Dioxypyramidon(1)","519-65-3(1)","1981","High Reliability","-"]
[1037,"CCN(CC)C(=O)COC(=O)c1ccccc1\n\n\n","CCN(C(=O)COC(=O)c1ccccc1)CC","O=C(OCC(=O)N(CC)CC)c1ccccc1","",1,"BENZOIC ACID, 2-(DIETHYLAMINO)-2-OXOETHYL ESTER(1)","64649-63-4(1)","5043","Medium Reliability","Checked on PubChem"]
[1038,"CCOC(=O)C(Cc1ccccc1)N=C(C)O\nCCOC(=O)C(Cc1ccccc1)NC(C)=O\n\n","CCOC(=O)C(Cc1ccccc1)N=C(O)C","O=C(OCC)C(N=C(O)C)Cc1ccccc1","",1,"N-acetyl-L-phenylalanine, ethyl ester(1)","2361-96-8(1)","3175","High Reliability","Stereochemistry removed"]
[1039,"CCOC(=O)C(Cc1ccc(O)cc1)N=C(C)O\nCCOC(=O)C(Cc1ccc(O)cc1)NC(C)=O\n\n","CCOC(=O)C(Cc1ccc(cc1)O)N=C(O)C","O=C(OCC)C(N=C(O)C)Cc1ccc(O)cc1","",1,"L-TYROSINE, N-ACETYL-, ETHYL ESTER(1)","840-97-1(1)","2712","High Reliability","Stereochemistry removed"]
[1040,"CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1\n\n\n","CCCC(C(=O)Nc1ccc(c(c1)Cl)C)C","O=C(Nc1ccc(c(c1)Cl)C)C(C)CCC","",1,"PENTANOCHLOR(1)","2307-68-8(1)","3163","High Reliability","-"]
[1041,"COCCN(C(=O)CCl)c1c(C)cccc1C\n\n\n","COCCN(c1c(C)cccc1C)C(=O)CCl","O=C(N(c1c(cccc1C)C)CCOC)CCl","",1,"Dimethachlor(1)","50563-36-5(1)","4785","High Reliability","-"]
[1042,"O=c1[nH]c2c(CCC2)c(=O)n1C3CCCCC3\n\n\n","O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1","O=C1NC3=C(C(=O)N1C2CCCCC2)CCC3","",1,"LENACIL(1)","2164-08-1(1)","3113","High Reliability","-"]
[1043,"CCC1(C(=O)NC(=O)NC1=O)C2=CCCCCC2\n[Na+].CCC1(C(=O)NC(=O)[N-]C1=O)C2=CCCCCC2\n\n","CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1","O=C1NC(=O)C(C(=O)N1)(C2=CCCCCC2)CC","",1,"HEPTABARBITAL(1)","509-86-4(1)","1946","High Reliability","Differences in counterions"]
[1044,"NCCCCC(N=C(O)c1ccccc1)C(O)=O\nNCCCCC(NC(=O)c1ccccc1)C(O)=O\n\n","NCCCCC(C(=O)O)N=C(c1ccccc1)O","O=C(O)C(N=C(O)c1ccccc1)CCCCN","",1,"DL-lysine, N2-benzoyl-(1)","116783-33-6(1)","5611","Medium Reliability","Stereochemistry removed"]
[1045,"Cn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C\n\n\n","CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C","O=C2c1c(ncn1C)N(C(=O)N2CCCCC(=O)C)C","",1,"Pentoxifylline(1)","6493-05-6(1)","3762","High Reliability","-"]
[1046,"CC(C)Cc1ccc(cc1)C(C)C(O)=O\n\n\n","CC(Cc1ccc(cc1)C(C(=O)O)C)C","O=C(O)C(c1ccc(cc1)CC(C)C)C","",1,"IBUPROFEN(1)","15687-27-1(1)","4077","High Reliability","-"]
[1047,"CCCCCCOC(=O)c1ccc(O)cc1\n\n\n","CCCCCCOC(=O)c1ccc(cc1)O","O=C(OCCCCCC)c1ccc(O)cc1","",1,"HEXYL P-HYDROXYBENZOATE(1)","1083-27-8(1)","2820","High Reliability","-"]
[1048,"CCOC1Oc2c(cc(OS(C)(=O)=O)cc2)C1(C)C\nCCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C\n\n","CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C","O=S(=O)(Oc1ccc2OC(OCC)C(c2(c1))(C)C)C","",1,"ETHOFUMESATE(1)","26225-79-6(1)","4415","High Reliability","-"]
[1049,"OCC1OC(Oc2c(CO)cccc2)C(O)C(O)C1O\n\n\n","OCC1OC(Oc2ccccc2CO)C(C(C1O)O)O","OCc2ccccc2(OC1OC(CO)C(O)C(O)C1(O))","",1,"SALICIN(1)","138-52-3(1)","1540","High Reliability","Stereochemistry removed"]
[1050,"COP(=S)(OC)SCC(=O)N(C(C)C)c1ccc(Cl)cc1\n\n\n","COP(=S)(SCC(=O)N(c1ccc(cc1)Cl)C(C)C)OC","O=C(N(c1ccc(cc1)Cl)C(C)C)CSP(OC)(OC)=S","",1,"ANILOFOS(1)","64249-01-0(1)","5035","High Reliability","-"]
[1051,"CCCC(=O)N(CSP(=S)(OC)OC)c1ccccc1Cl\n\n\n","CCCC(=O)N(c1ccccc1Cl)CSP(=S)(OC)OC","O=C(N(c1ccccc1Cl)CSP(OC)(OC)=S)CCC","",1,"Phosmethylan(1)","83733-82-8(1)","5294","Medium Reliability","-"]
[1052,"CCCN(CCC)c1c(cc(C)cc1[N+]([O-])=O)[N+]([O-])=O\n\n\n","CCCN(c1c(cc(cc1[N+](=O)[O-])C)[N+](=O)[O-])CCC","O=[N+]([O-])c1cc(cc(c1N(CCC)CCC)[N+](=O)[O-])C","",1,"DIPROPALIN(1)","1918-08-7(1)","3026","High Reliability","-"]
[1053,"CCC(CC)Nc1c(c(C)c(C)cc1[N+]([O-])=O)[N+]([O-])=O\nCCC(CC)Nc1c(cc(C)c(C)c1[N+]([O-])=O)[N+]([O-])=O\n\n","CCC(Nc1c(cc(c(c1[N+](=O)[O-])C)C)[N+](=O)[O-])CC","O=[N+]([O-])c1cc(c(c(c1(NC(CC)CC))[N+](=O)[O-])C)C","",1,"PENDIMETHALIN(1)","40487-42-1(1)","4732","Medium Reliability","-"]
[1054,"CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)S(C)(=O)=O)[N+]([O-])=O\n\n\n","CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-])CCC","O=[N+]([O-])c1cc(cc(c1N(CCC)CCC)[N+](=O)[O-])S(=O)(=O)C","",1,"NITRALIN(1)","4726-14-1(1)","3527","High Reliability","-"]
[1055,"CCCCCCCOC(=O)c1cnccc1\n\n\n","CCCCCCCOC(=O)c1cccnc1","O=C(OCCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxylic acid, heptyl ester(1)","100618-60-8(1)","5449","Medium Reliability","-"]
[1056,"CCCC(C)c1cccc(OC(=O)NC)c1.CCC(CC)c1cccc(OC(=O)NC)c1\n\n\n","CCCC(c1cccc(c1)OC(=O)NC)C","O=C(Oc1cccc(c1)C(C)CCC)NC","",1,"BUFENCARB(1)","8065-36-9(1)","3890","High Reliability","Organic counterion, Checked on PubChem, Checked on ChemID"]
[1057,"CC(C)Cc1ccc(cc1)C(C)C(=O)NO\n\n\n","ONC(=O)C(c1ccc(cc1)CC(C)C)C","O=C(NO)C(c1ccc(cc1)CC(C)C)C","",1,"Ibuproxam(1)","53648-05-8(1)","4874","High Reliability","Checked on PubChem, Checked on ChemID"]
[1058,"CN(C)C(=O)SCCCCOc1ccccc1\n\n\n","O=C(N(C)C)SCCCCOc1ccccc1","O=C(N(C)C)SCCCCOc1ccccc1","",1,"FENOTHIOCARB(1)","62850-32-2(1)","5018","High Reliability","-"]
[1059,"OC(=O)CCCCCCNS(=O)(=O)c1ccccc1\n\n\n","OC(=O)CCCCCCNS(=O)(=O)c1ccccc1","O=C(O)CCCCCCNS(=O)(=O)c1ccccc1","",1,"Heptanoic acid, 7-benzenesulfonylamino(1)","123469-53-4(1)","5651","Medium Reliability","Checked on PubChem"]
[1060,"CCCCCCCc1ccccc1\n\n\n","CCCCCCCc1ccccc1","c1ccc(cc1)CCCCCCC","",1,"1-PHENYLHEPTANE(1)","1078-71-3(1)","2817","High Reliability","-"]
[1061,"CCN(CC)CCOC(=O)c1ccc(N)cc1\n\n\n","CCN(CCOC(=O)c1ccc(cc1)N)CC","O=C(OCCN(CC)CC)c1ccc(N)cc1","",1,"PROCAINE(1)","59-46-1(1)","168","High Reliability","-"]
[1062,"CC(=O)C=CC1C(C)=CCCC1(C)C\nCC(=O)C=CC1=C(C)CCCC1(C)C\n\n","CC(=O)C=CC1C(=CCCC1(C)C)C","O=C(C=CC1C(=CCCC1(C)(C))C)C","",2,"ALPHA-IONONE(1), beta-Ionone(1)","127-41-3(1), 14901-07-6(1)","1474, 4047","High Reliability","Stereochemistry removed"]
[1063,"CCOP(=S)(NC(C)CC)Oc1c(ccc(C)c1)[N+]([O-])=O\nCCOP(=S)(NC(C)CC)Oc1cc(C)ccc1[N+]([O-])=O\n\n","CCOP(=S)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C","O=[N+]([O-])c1ccc(cc1(OP(OCC)(NC(C)CC)=S))C","",1,"BUTAMIFOS(1)","36335-67-8(1)","4627","High Reliability","-"]
[1064,"CC(C)(C)NCC(O)c1ccc(O)c(CO)c1\n\n\n","OCc1cc(ccc1O)C(CNC(C)(C)C)O","Oc1ccc(cc1CO)C(O)CNC(C)(C)C","",1,"Albuterol(1)","18559-94-9(1)","4201","High Reliability","-"]
[1065,"CCCOP(=O)(OCCC)Oc1ccc(SC)cc1\n\n\n","CCCOP(=O)(Oc1ccc(cc1)SC)OCCC","O=P(Oc1ccc(cc1)SC)(OCCC)OCCC","",1,"PROPAPHOS(1)","7292-16-2(1)","3828","High Reliability","-"]
[1066,"CN(C)C(=O)NC1CC2CC1C3CCCC23\n\n\n","O=C(N(C)C)NC1CC2CC1C1C2CCC1","O=C(NC1CC2CC1C3CCCC23)N(C)C","",1,"NOREA(1)","18530-56-8(1)","4199","High Reliability","Stereochemistry removed"]
[1067,"CCOC(=O)CSc1nc(nn1C(=O)N(C)C)C(C)(C)C\n\n\n","CCOC(=O)CSc1nc(nn1C(=O)N(C)C)C(C)(C)C","O=C(OCC)CSc1nc(nn1(C(=O)N(C)C))C(C)(C)C","",1,"Triazamate(1)","112143-82-5(1)","5570","Medium Reliability","-"]
[1068,"CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1\n\n\n","CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C","O=P(Oc1ccc(c(c1)C)SC)(OCC)NC(C)C","",1,"FENAMIPHOS(1)","22224-92-6(1)","4314","High Reliability","-"]
[1069,"CC(C)(O)CCCC1=CCC(CC1)C=O\n\n\n","O=CC1CCC(=CC1)CCCC(O)(C)C","O=CC1CC=C(CCCC(O)(C)C)CC1","",1,"Lyral(1)","31906-04-4(1)","4528","Medium Reliability","-"]
[1070,"CCOP(=S)(OC(C)C)Oc1cnc(nc1)C(C)(C)C\n\n\n","CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C","n1cc(OP(OCC)(OC(C)C)=S)cnc1C(C)(C)C","",1,"TEBUPIRIMFOS(1)","96182-53-5(1)","5397","High Reliability","-"]
[1071,"CCOP(=S)(OCC)Oc1cc(C)nc(n1)N(CC)CC\n\n\n","CCOP(=S)(Oc1cc(C)nc(n1)N(CC)CC)OCC","n1c(OP(OCC)(OCC)=S)cc(nc1N(CC)CC)C","",1,"PIRIMIPHOS ETHYL(1)","23505-41-1(1)","4342","High Reliability","-"]
[1072,"CCCCc1c(OS(=O)(=O)N(C)C)nc(NCC)nc1C\nCCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C\n\n","CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC","O=S(=O)(Oc1nc(nc(c1CCCC)C)NCC)N(C)C","",1,"BUPIRIMATE(1)","41483-43-6(1)","4751","High Reliability","-"]
[1073,"CCCCCCCCCCC(C(O)=O)C(O)=O\n\n\n","CCCCCCCCCCC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)CCCCCCCCCC","",1,"DECYLPROPANEDIOIC ACID(1)","4372-29-6(1)","3484","High Reliability","-"]
[1074,"CCOC(=O)CCCCCCCC(=O)OCC\n\n\n","CCOC(=O)CCCCCCCC(=O)OCC","O=C(OCC)CCCCCCCC(=O)OCC","",1,"DIETHYL AZELATE(1)","624-17-9(1)","2502","High Reliability","-"]
[1075,"OC(=O)CCCCCCCCCCCC(O)=O\n\n\n","OC(=O)CCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCC(=O)O","",1,"Tridecanedioic acid(1)","505-52-2(1)","1932","High Reliability","-"]
[1076,"OC1=NCCCCCCCCCCCC1\nO=C1CCCCCCCCCCCCN1\n\n","OC1=NCCCCCCCCCCCC1","OC1=NCCCCCCCCCCCC1","",1,"Azacyclotetradecan-2-one(1)","7518-64-1(1)","3853","Medium Reliability","-"]
[1077,"CCCCCCCCCCCCC(O)=O\n\n\n","CCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCC","",1,"TRIDECANOIC ACID(1)","638-53-9(1)","2603","High Reliability","-"]
[1078,"CCCCCCCCCCN=C(O)C(C)O\nCCCCCCCCCCNC(=O)C(C)O\n\n","CCCCCCCCCCN=C(C(O)C)O","OC(=NCCCCCCCCCC)C(O)C","",1,"Lactamide, N-decyl-(1)","6280-24-6(1)","3727","High Reliability","-"]
[1079,"CCCCCCCCCCCCC\n\n\n","CCCCCCCCCCCCC","CCCCCCCCCCCCC","",1,"N-TRIDECANE(1)","629-50-5(1)","2566","High Reliability","-"]
[1080,"CC(C)CCOCC(O)COCCC(C)C\n\n\n","OC(COCCC(C)C)COCCC(C)C","OC(COCCC(C)C)COCCC(C)C","",1,"2-Propanol, 1,3-bis(3-methylbutoxy)-(1)","626-78-8(1)","2532","High Reliability","-"]
[1081,"CC(O)=O.CCCCCCCCCCCCNC(N)=N\nCCCCCCCCCCCCNC(N)=N\nCCCCCCCCCCCCN=C(N)N.CC(O)=O\nCC(O)=O.CCCCCCCCCCCCNC(N)=N, CCCCCCCCCCCCN=C(N)N.CC(O)=O","CCCCCCCCCCCCNC(=N)N","N=C(N)NCCCCCCCCCCCC","",2,"Dodine(1), DODINE(1)","112-65-2(1), 2439-10-3(1)","1262, 3209","High Reliability","Differences in counterions, Organic counterion"]
[1082,"Cc1nc(c(s1)C(O)=Nc2c(Br)cc(OC(F)(F)F)cc2Br)C(F)(F)F\nCc1sc(C(=O)Nc2c(Br)cc(OC(F)(F)F)cc2Br)c(n1)C(F)(F)F\n\n","Cc1sc(c(n1)C(F)(F)F)C(=Nc1c(Br)cc(cc1Br)OC(F)(F)F)O","FC(F)(F)Oc2cc(c(N=C(O)c1c(nc(C)s1)C(F)(F)F)c(c2)Br)Br","",1,"Thifluzamide(1)","130000-40-7(1)","5675","Medium Reliability","-"]
[1083,"Oc1c(Cc2c(Cl)c(Cl)cc(Cl)c2O)c(Cl)c(Cl)cc1Cl\n\n\n","Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl","Oc1c(cc(c(c1Cc2c(O)c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl","",1,"HEXACHLOROPHENE(1)","70-30-4(1)","273","High Reliability","-"]
[1084,"Oc1c(Br)cc(C=NOc2c(cc(cc2)[N+]([O-])=O)[N+]([O-])=O)cc1Br\n[O-][N+](=O)c1ccc(ONC=C2C=C(Br)C(=O)C(=C2)Br)c(c1)[N+]([O-])=O\n\n","Brc1cc(C=NOc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc(c1O)Br","O=[N+]([O-])c2ccc(ON=Cc1cc(c(O)c(c1)Br)Br)c(c2)[N+](=O)[O-]","",1,"BROMOFENOXIM(1)","13181-17-4(1)","3960","High Reliability","-"]
[1085,"[O-][N+](=O)c1ccc(Oc2c(cc(cc2)C(F)(F)F)[N+]([O-])=O)cc1\n[O-][N+](=O)c1ccc(Oc2ccc(cc2[N+]([O-])=O)C(F)(F)F)cc1\n\n","[O-][N+](=O)c1cc(ccc1Oc1ccc(cc1)[N+](=O)[O-])C(F)(F)F","O=[N+]([O-])c2ccc(Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)cc2","",1,"FLUORODIFEN(1)","15457-05-3(1)","4072","High Reliability","-"]
[1086,"Oc1c(cc(Cl)cc1)C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O\nOc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O\nNCCO.Oc1c(cc(Cl)cc1)C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O\nNCCO.Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O","Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O","O=C(Nc1ccc(cc1Cl)[N+](=O)[O-])c2cc(ccc2(O))Cl","",2,"NICLOSAMIDE(1), NICLOSAMIDE ETHANOLAMINE SALT(1)","50-65-7(1), 1420-04-8(1)","28, 2899","High Reliability","Organic counterion"]
[1087,"ON(C(=O)c1c(Cl)cc(Cl)cc1)c2ccccc2\nON(c1ccccc1)C(=O)c2ccc(Cl)cc2Cl\n\n","Clc1ccc(c(c1)Cl)C(=O)N(c1ccccc1)O","O=C(c1ccc(cc1Cl)Cl)N(O)c2ccccc2","",1,"Benzamide, 2,4-dichloro-N-hydroxy-N-phenyl-(1)","16845-41-3(1)","4123","Medium Reliability","-"]
[1088,"COc1c(ccc(Oc2c(Cl)cc(Cl)cc2)c1)[N+]([O-])=O\nCOc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O\n\n","COc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl","O=[N+]([O-])c2ccc(Oc1ccc(cc1Cl)Cl)cc2(OC)","",1,"CHLOMETHOXYNIL(1)","32861-85-1(1)","4551","Medium Reliability","-"]
[1089,"Oc1c(cc(cc1)N(=O)=O)C(=O)Nc2ccc(Cl)cc2\nOc1ccc(cc1C(=O)Nc2ccc(Cl)cc2)[N+]([O-])=O\n\n","Clc1ccc(cc1)NC(=O)c1cc(ccc1O)[N+](=O)[O-]","O=C(Nc1ccc(cc1)Cl)c2cc(ccc2(O))[N+](=O)[O-]","",1,"Salicylanilide, 4'-chloro-5-nitro-(1)","6490-98-8(1)","3759","High Reliability","-"]
[1090,"Oc1c(cccc1[N+]([O-])=O)C(=O)Nc2ccc(Cl)cc2\n\n\n","Clc1ccc(cc1)NC(=O)c1cccc(c1O)[N+](=O)[O-]","O=C(Nc1ccc(cc1)Cl)c2cccc(c2(O))[N+](=O)[O-]","",1,"Salicylanilide, 4'-chloro-3-nitro-(1)","6490-99-9(1)","3760","High Reliability","-"]
[1091,"OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F\n\n\n","OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F","O=C(O)c2cccnc2(Nc1cccc(c1)C(F)(F)F)","",1,"Niflumic acid(1)","4394-00-7(1)","3489","High Reliability","-"]
[1092,"c1ccc2c(ccc3c2cccn3)c1\nc1ccc2c(c1)ccc3ncccc23\n\n","c1ccc2c(c1)ccc1c2cccn1","n1cccc3c1ccc2ccccc23","",1,"BENZO(F)QUINOLINE(1)","85-02-9(1)","552","High Reliability","-"]
[1093,"c1ccc2c(c1)cnc3ccccc23\n\n\n","c1ccc2c(c1)cnc1c2cccc1","n2cc1ccccc1c3ccccc23","",1,"PHENANTHRIDINE(1)","229-87-8(1)","1665","High Reliability","-"]
[1094,"c1cc2cc3ccccc3nc2cc1\n\n\n","c1ccc2c(c1)nc1c(c2)cccc1","n1c3ccccc3(cc2ccccc12)","",1,"ACRIDINE(1)","260-94-6(1)","1671","High Reliability","-"]
[1095,"ON(C(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)c2ccccc2\n\n\n","O=C(N(c1ccccc1)O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N(O)c2ccccc2","",1,"Benzamide, 3,5-dinitro-N-phenyl-N-hydroxy-(1)","29556-22-7(1)","4487","Medium Reliability","Checked on PubChem"]
[1096,"[O-][N+](=O)c1cc2c(cc1)-c3c(C2)cccc3\n[O-][N+](=O)c1ccc-2c(Cc3ccccc23)c1\n\n","[O-][N+](=O)c1ccc2c(c1)Cc1c2cccc1","O=[N+]([O-])c2ccc3c1ccccc1Cc3(c2)","",1,"2-NITROFLUORENE(1)","607-57-8(1)","2387","High Reliability","-"]
[1097,"c1cc2cc3c(cccc3)cc2cc1\nc1ccc2cc3ccccc3cc2c1\n\n","c1ccc2c(c1)cc1c(c2)cccc1","c1ccc2cc3ccccc3(cc2(c1))","",1,"ANTHRACENE(1)","120-12-7(1)","1351","Medium Reliability","-"]
[1098,"c1cc2c(cc1)c3c(cccc3)cc2\nc1ccc2c(c1)ccc3ccccc23\n\n","c1ccc2c(c1)c1ccccc1cc2","c1ccc3c(c1)ccc2ccccc23","",1,"PHENANTHRENE(1)","85-01-8(1)","551","High Reliability","-"]
[1099,"ClC(Cl)C(c1ccc(Cl)cc1)c2c(Cl)cccc2\nClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl\n\n","ClC(C(c1ccccc1Cl)c1ccc(cc1)Cl)Cl","c1ccc(c(c1)C(c2ccc(cc2)Cl)C(Cl)Cl)Cl","",1,"O,P'-DDD(1)","53-19-0(1)","70","High Reliability","-"]
[1100,"ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2\n\n\n","ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl","c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)Cl)Cl","",1,"P,P'-DDD(1)","72-54-8(1)","296","High Reliability","-"]
[1101,"OC(=O)c1c(Nc2cc(ccc2)C(F)(F)F)cccc1\n\n\n","OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F","O=C(O)c2ccccc2(Nc1cccc(c1)C(F)(F)F)","",1,"FLUFENAMIC ACID(1)","530-78-9(1)","2016","High Reliability","-"]
[1102,"Oc1c2ccccc2cc3ccccc13\n\n\n","Oc1c2ccccc2cc2c1cccc2","Oc2c3ccccc3(cc1ccccc12)","",1,"Anthranol(1)","529-86-2(1)","2013","High Reliability","-"]
[1103,"O=C(OC(=O)c1ccccc1)c2ccccc2\n\n\n","O=C(c1ccccc1)OC(=O)c1ccccc1","O=C(OC(=O)c1ccccc1)c2ccccc2","",1,"BENZOIC ACID, ANHYDRIDE(1)","93-97-0(1)","715","High Reliability","-"]
[1104,"OC(=O)C1(O)c2c(cccc2)-c3c1cccc3\nOC(=O)C1(O)c2ccccc2-c3ccccc13\n\n","OC(=O)C1(O)c2ccccc2c2c1cccc2","O=C(O)C2(O)(c3ccccc3(c1ccccc12))","",1,"FLURENOL(1)","467-69-6(1)","1820","High Reliability","Stereochemistry removed"]
[1105,"OC(=O)c1c(cccc1)C(=O)c2ccc(O)cc2\nOC(=O)c1ccccc1C(=O)c2ccc(O)cc2\n\n","Oc1ccc(cc1)C(=O)c1ccccc1C(=O)O","O=C(O)c2ccccc2(C(=O)c1ccc(O)cc1)","",1,"Benzoic acid, 2-(4-hydroxybenzoyl)-(1)","85-57-4(1)","559","High Reliability","-"]
[1106,"OC(=O)c1ccccc1C(=O)c2ccccc2O\n\n\n","OC(=O)c1ccccc1C(=O)c1ccccc1O","O=C(O)c2ccccc2(C(=O)c1ccccc1(O))","",1,"Benzoic acid, 2-(2-hydroxybenzoyl)-(1)","6079-73-8(1)","3699","Medium Reliability","-"]
[1107,"O=C(OOC(=O)c1ccccc1)c2ccccc2\n\n\n","O=C(c1ccccc1)OOC(=O)c1ccccc1","O=C(OOC(=O)c1ccccc1)c2ccccc2","",1,"BENZOYL PEROXIDE(1)","94-36-0(1)","726","High Reliability","-"]
[1108,"OC(=O)c1ccccc1-c2ccccc2C(O)=O\n\n\n","OC(=O)c1ccccc1c1ccccc1C(=O)O","O=C(O)c1ccccc1c2ccccc2(C(=O)O)","",1,"1,1'-BIPHENYL -2,2'-DICARBOXYLIC ACID(1)","482-05-3(1)","1855","High Reliability","-"]
[1109,"COc1cc(O)c2c(=O)c3c(oc2c1)ccc(O)c3\nCOc1cc(O)c2c(=O)c3cc(O)ccc3oc2c1\n\n","COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O","O=C1c3cc(O)ccc3(Oc2cc(OC)cc(O)c12)","",1,"Gentisin(1)","437-50-3(1)","1784","High Reliability","-"]
[1110,"OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1\n\n\n","O=C(c1cc(O)c(c(c1)O)O)Oc1cc(cc(c1O)O)C(=O)O","O=C(O)c2cc(O)c(O)c(OC(=O)c1cc(O)c(O)c(O)c1)c2","",1,"Digallic acid(1)","536-08-3(1)","2039","Medium Reliability","Checked on PubChem"]
[1111,"OC(=O)Cc1c(Nc2c(Cl)cccc2Cl)cccc1\n\n\n","OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl","O=C(O)Cc2ccccc2(Nc1c(cccc1Cl)Cl)","",1,"DICLOFENAC(1)","15307-86-5(1)","4065","High Reliability","-"]
[1112,"CCOP(=O)(Oc1c(Cl)cc(Cl)cc1)Oc2c(Cl)cc(Cl)cc2\nCCOP(=O)(Oc1ccc(Cl)cc1Cl)Oc2ccc(Cl)cc2Cl\n\n","CCOP(=O)(Oc1ccc(cc1Cl)Cl)Oc1ccc(cc1Cl)Cl","O=P(Oc1ccc(cc1Cl)Cl)(Oc2ccc(cc2Cl)Cl)OCC","",1,"Phosdiphen(1)","36519-00-3(1)","4630","High Reliability","-"]
[1113,"NS(=O)(=O)c1c(Cl)ccc(c1)C2(O)NC(=O)c3ccccc23\nNS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23\n\n","O=C1NC(c2c1cccc2)(O)c1ccc(c(c1)S(=O)(=O)N)Cl","O=C2NC(O)(c1ccc(c(c1)S(=O)(=O)N)Cl)c3ccccc23","",1,"Chlorthalidone(1)","77-36-1(1)","416","High Reliability","-"]
[1114,"N#CC(c1ccccc1)c2ccccc2\n\n\n","N#CC(c1ccccc1)c1ccccc1","N#CC(c1ccccc1)c2ccccc2","",1,"DIPHENYLACETONITRILE(1)","86-29-3(1)","567","High Reliability","-"]
[1115,"Nc1ccc2cc3ccccc3cc2c1\n\n\n","Nc1ccc2c(c1)cc1c(c2)cccc1","Nc1ccc2cc3ccccc3(cc2(c1))","",1,"2-AMINOANTHRACENE(1)","613-13-8(1)","2423","High Reliability","-"]
[1116,"O=C(NC(=O)c1ccccc1)c2ccccc2\n\n\n","O=C(c1ccccc1)NC(=O)c1ccccc1","O=C(NC(=O)c1ccccc1)c2ccccc2","",1,"N-Benzoylbenzamide(1)","614-28-8(1)","2427","High Reliability","-"]
[1117,"OC(=O)c1ccccc1C(=O)Nc2ccccc2\n\n\n","O=C(c1ccccc1C(=O)O)Nc1ccccc1","O=C(O)c2ccccc2(C(=O)Nc1ccccc1)","",1,"N-Phenylphthalamic acid(1)","4727-29-1(1)","3528","High Reliability","-"]
[1118,"Cc1cccc-2c1Cc3c2cccc3\nCc1cccc-2c1Cc3ccccc23\n\n","Cc1cccc2c1Cc1c2cccc1","c1ccc3c(c1)c2cccc(c2C3)C","",1,"1-METHYLFLUORENE(1)","1730-37-6(1)","2972","High Reliability","-"]
[1119,"C=C(c1ccccc1)c2ccccc2\n\n\n","C=C(c1ccccc1)c1ccccc1","C=C(c1ccccc1)c2ccccc2","",1,"1,1-DIPHENYLETHYLENE(1)","530-48-3(1)","2015","High Reliability","-"]
[1120,"C(=Cc1ccccc1)c2ccccc2\n\n\n","c1ccc(cc1)C=Cc1ccccc1","c1ccc(cc1)C=Cc2ccccc2","",2,"STILBENE (TRANS)(1), STILBENE(1)","103-30-0(1), 588-59-0(1)","929, 2268","Medium Reliability, High Reliability","Stereochemistry removed"]
[1121,"C1Cc2ccccc2-c3ccccc13\n\n\n","c1ccc2c(c1)c1ccccc1CC2","c1ccc3c(c1)c2ccccc2CC3","",1,"9,10-DIHYDROPHENANTHRENE(1)","776-35-2(1)","2686","High Reliability","-"]
[1122,"Cc1cc(ccc1NS(=O)(=O)C(F)(F)F)S(=O)(=O)c2ccccc2\n\n\n","Cc1cc(ccc1NS(=O)(=O)C(F)(F)F)S(=O)(=O)c1ccccc1","O=S(=O)(Nc1ccc(cc1C)S(=O)(=O)c2ccccc2)C(F)(F)F","",1,"PERFLUIDONE(1)","37924-13-3(1)","4657","High Reliability","-"]
[1123,"Cc1c2ccc3c(C)ccnc3c2ncc1\nCc1ccnc2c1ccc3c(C)ccnc23\n\n","Cc1ccnc2c1ccc1c2nccc1C","n2ccc(c3ccc1c(nccc1C)c23)C","",1,"1,10-Phenanthroline, 4,7-dimethyl-(1)","3248-05-3(1)","3357","High Reliability","-"]
[1124,"Nc1ccc(cc1)C#Cc2ccc(N)cc2\n\n\n","Nc1ccc(cc1)C#Cc1ccc(cc1)N","C(#Cc1ccc(N)cc1)c2ccc(N)cc2","",1,"Benzenamine, 4,4'-(1,2-ethynediyl)bis-(1)","6052-15-9(1)","3697","High Reliability","-"]
[1125,"O=C(NNC(=O)c1ccccc1)c2ccccc2\n\n\n","O=C(c1ccccc1)NNC(=O)c1ccccc1","O=C(NNC(=O)c1ccccc1)c2ccccc2","",1,"Benzoic acid, 2-benzoylhydrazide(1)","787-84-8(1)","2690","High Reliability","-"]
[1126,"Nc1ccc(N)c2c1C(=O)c3c(N)ccc(N)c3C2=O\n\n\n","O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N","O=C1c3c(N)ccc(N)c3(C(=O)c2c(N)ccc(N)c12)","",1,"1,4,5,8-TETRAAMINOANTHRAQUINONE(1)","2475-45-8(1)","3217","High Reliability","-"]
[1127,"Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2","O=S(=O)(Nc1nc2ccccc2(nc1))c3ccc(N)cc3","",1,"SULFAQUINOXALINE(1)","59-40-5(1)","166","High Reliability","-"]
[1128,"CC(=O)c1ccc(cc1)-c2ccccc2\n\n\n","CC(=O)c1ccc(cc1)c1ccccc1","O=C(c1ccc(cc1)c2ccccc2)C","",1,"4-ACETYLBIPHENYL(1)","92-91-1(1)","693","High Reliability","-"]
[1129,"CC1(C)OC(=O)c2cc3ccccc3cc12\n\n\n","O=C1OC(c2c1cc1ccccc1c2)(C)C","O=C1OC(c2cc3ccccc3(cc12))(C)C","",1,"Naphtho[2,3-c]furan-1(3H)-one, 3,3-dimethyl-(1)","24018-57-3(1)","4355","Medium Reliability","-"]
[1130,"OC(C(=O)c1ccccc1)c2ccccc2\n\n\n","OC(C(=O)c1ccccc1)c1ccccc1","O=C(c1ccccc1)C(O)c2ccccc2","",2,"BENZOIN(1), DL-BENZOIN(1)","119-53-9(1), 579-44-2(1)","1340, 2221","High Reliability","-"]
[1131,"Oc1ccc(cc1)C(=O)Cc2ccccc2\n\n\n","Oc1ccc(cc1)C(=O)Cc1ccccc1","O=C(c1ccc(O)cc1)Cc2ccccc2","",1,"Ethanone, 1-(4-hydroxyphenyl)-2-phenyl-(1)","2491-32-9(1)","3221","High Reliability","-"]
[1132,"OC(=O)C(c1ccccc1)c2ccccc2\n\n\n","OC(=O)C(c1ccccc1)c1ccccc1","O=C(O)C(c1ccccc1)c2ccccc2","",1,"DIPHENYLACETIC ACID(1)","117-34-0(1)","1307","High Reliability","-"]
[1133,"OC(=O)C(O)(c1ccccc1)c2ccccc2\n\n\n","OC(=O)C(c1ccccc1)(c1ccccc1)O","O=C(O)C(O)(c1ccccc1)c2ccccc2","",1,"BENZILIC ACID(1)","76-93-7(1)","407","High Reliability","-"]
[1134,"OC(=O)CCC(=O)c1cc2ccccc2cc1\nOC(=O)CCC(=O)c1ccc2ccccc2c1\n\n","OC(=O)CCC(=O)c1ccc2c(c1)cccc2","O=C(O)CCC(=O)c1ccc2ccccc2(c1)","",1,"2-Naphthalenebutanoic acid, .gamma.-oxo-(1)","1590-22-3(1)","2938","Medium Reliability","-"]
[1135,"OC(=O)CCC(=O)c1cccc2ccccc12\n\n\n","OC(=O)CCC(=O)c1cccc2c1cccc2","O=C(O)CCC(=O)c2cccc1ccccc12","",1,"1-Naphthalenebutanoic acid, .gamma.-oxo-(1)","4653-13-8(1)","3520","Medium Reliability","-"]
[1136,"COc1c2oc(C)cc(=O)c2c(OC)c3c1occ3\n\n\n","COc1c2c(=O)cc(oc2c(c2c1cco2)OC)C","O=C2C=C(Oc3c(OC)c1occc1c(OC)c23)C","",1,"Khellin(1)","82-02-0(1)","512","High Reliability","-"]
[1137,"COc1nc2nc(nn2c(OC)c1)S(=O)(=O)Nc3c(Cl)c(C)ccc3Cl\n\n\n","COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C","O=S(=O)(Nc1c(ccc(c1Cl)C)Cl)c2nc3nc(OC)cc(OC)n3(n2)","",1,"Metosulam(1)","139528-85-1(1)","5709","High Reliability","-"]
[1138,"COc1cc(OC)nc(N=C(O)NS(=O)(=O)c2c(Cl)nc3ccccn23)n1\nCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2n3ccccc3nc2Cl)n1\n\n","COc1cc(OC)nc(n1)N=C(NS(=O)(=O)c1c(Cl)nc2n1cccc2)O","O=S(=O)(NC(O)=Nc1nc(OC)cc(n1)OC)c3c(nc2ccccn23)Cl","",1,"IMAZOSULFURON(1)","122548-33-8(1)","5645","High Reliability","-"]
[1139,"CC(C)N(C(=O)COc1nnc(s1)C(F)(F)F)c2ccc(F)cc2\n\n\n","Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C","O=C(N(c1ccc(F)cc1)C(C)C)COc2nnc(C(F)(F)F)s2","",1,"Fluthiamide(1)","142459-58-3(1)","5712","High Reliability","-"]
[1140,"[Cl-].C[n+]1c2cc(N)ccc2cc3ccc(N)cc13.Nc1ccc2cc3ccc(N)cc3nc2c1\n\n\n","Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N","Nc2ccc3cc1ccc(N)cc1[n+](c3(c2))C","",1,"Acriflavine(1)","8048-52-0(1)","3889","High Reliability","Organic counterion, Checked on PubChem, Checked on ChemID"]
[1141,"CC#Cc1cc(C)nc(Nc2ccccc2)n1\n\n\n","CC#Cc1nc(Nc2ccccc2)nc(c1)C","C(#CC)c1nc(nc(c1)C)Nc2ccccc2","",1,"MEPANIPYRIM(1)","110235-47-7(1)","5558","High Reliability","-"]
[1142,"Nc1ccc(CC(=O)c2ccccc2)cc1\n\n\n","Nc1ccc(cc1)CC(=O)c1ccccc1","O=C(c1ccccc1)Cc2ccc(N)cc2","",1,"Ethanone, 2-(4-aminophenyl)-1-phenyl-(1)","2440-20-2(1)","3212","Medium Reliability","-"]
[1143,"Cc1ccc(cc1)-c2ccc(C)cc2\n\n\n","Cc1ccc(cc1)c1ccc(cc1)C","c1cc(ccc1c2ccc(cc2)C)C","",1,"P-TOLYLTOLUENE(1)","613-33-2(1)","2424","Medium Reliability","-"]
[1144,"C(Cc1ccccc1)c2ccccc2\n\n\n","c1ccc(cc1)CCc1ccccc1","c1ccc(cc1)CCc2ccccc2","",1,"BIBENZYL(1)","103-29-7(1)","928","High Reliability","-"]
[1145,"Clc1cc(Cl)c(cc1)C(Cn2ccnc2)OCC=C\nClc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1\n\n","C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1","n1ccn(c1)CC(OCC=C)c2ccc(cc2Cl)Cl","",1,"IMAZALIL BASE(1)","35554-44-0(1)","4615","Medium Reliability","-"]
[1146,"Clc1cc(ccc1)N(C2CCOC2=O)C(=O)C3CC3\nClc1cccc(c1)N(C2CCOC2=O)C(=O)C3CC3\n\n","O=C1OCCC1N(C(=O)C1CC1)c1cccc(c1)Cl","O=C1OCCC1N(c2cccc(c2)Cl)C(=O)C3CC3","",1,"Cyprofuram(1)","69581-33-5(1)","5122","High Reliability","-"]
[1147,"CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2\n\n\n","CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N","O=C(Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2)C","",1,"Acetamide, N-[4-[(4-aminophenyl)sulfonyl]phenyl](1)","565-20-8(1)","2187","Medium Reliability","-"]
[1148,"OC(=O)CN=C(O)CNS(=O)(=O)c1cc2ccccc2cc1\nOC(=O)CNC(=O)CNS(=O)(=O)c1ccc2ccccc2c1\n\n","OC(=O)CN=C(CNS(=O)(=O)c1ccc2c(c1)cccc2)O","O=C(O)CN=C(O)CNS(=O)(=O)c1ccc2ccccc2(c1)","",1,"Glycine, N-[N-(2-naphthalenylsulfonyl)glycyl]-(1)","93886-70-5(1)","5386","Medium Reliability","-"]
[1149,"CCOP(=S)(Oc1ccc(cc1)[N+]([O-])=O)c2ccccc2\n\n\n","CCOP(=S)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c2ccc(OP(OCC)(c1ccccc1)=S)cc2","",1,"EPN(1)","2104-64-5(1)","3096","High Reliability","-"]
[1150,"C(OCc1ccccc1)c2ccccc2\n\n\n","O(Cc1ccccc1)Cc1ccccc1","O(Cc1ccccc1)Cc2ccccc2","",1,"DIBENZYL ETHER(1)","103-50-4(1)","932","High Reliability","-"]
[1151,"OC(C(O)c1ccccc1)c2ccccc2\n\n\n","OC(C(c1ccccc1)O)c1ccccc1","OC(c1ccccc1)C(O)c2ccccc2","",2,"Hydrobenzoin(1), MESO-HYDROBENZOIN(1)","492-70-6(1), 579-43-1(1)","1884, 2220","High Reliability","Checked on PubChem, Checked on ChemID"]
[1152,"CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O\n\n\n","O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2","O=C2c1ccccc1C(=O)C2C(=O)C(C)(C)C","",1,"PINDONE(1)","83-26-1(1)","520","High Reliability","-"]
[1153,"COc1cc2ccc(cc2cc1)C(C)C(O)=O\n[Na+].COc1ccc2cc(ccc2c1)C(C)C([O-])=O\nCOc1ccc2cc(ccc2c1)C(C)C(O)=O\n","COc1ccc2c(c1)ccc(c2)C(C(=O)O)C","O=C(O)C(c1ccc2cc(OC)ccc2(c1))C","",1,"NAPROSYN(1)","22204-53-1(1)","4312","High Reliability","Differences in counterions, Stereochemistry removed"]
[1154,"C=CCOC(=O)c1c(cccc1)C(=O)OCC=C\nC=CCOC(=O)c1ccccc1C(=O)OCC=C\n\n","C=CCOC(=O)c1ccccc1C(=O)OCC=C","O=C(OCC=C)c1ccccc1(C(=O)OCC=C)","",1,"DIALLYLPHTHALATE(1)","131-17-9(1)","1498","Medium Reliability","-"]
[1155,"Cc1ccc(cc1)N=Nc2c(N)ccc(C)c2\nCc1ccc(cc1)N=Nc2cc(C)ccc2N\n\n","Cc1ccc(cc1)N=Nc1cc(C)ccc1N","N(=Nc1cc(ccc1(N))C)c2ccc(cc2)C","",1,"Benzenamine, 4-methyl-2-[(4-methylphenyl)azo]-(1)","58010-91-6(1)","4953","Medium Reliability","Stereochemistry removed"]
[1156,"Cc1c(N)ccc(c1)N=Nc2c(C)cccc2\nCC1C=CC=CC1(N)N=Nc2ccccc2C\nCc1ccccc1N=Nc2ccc(N)c(C)c2\n","Cc1cc(ccc1N)N=Nc1ccccc1C","N(=Nc1ccccc1C)c2ccc(N)c(c2)C","",1,"o-aminoazotoluene(1)","97-56-3(1)","796","High Reliability","Name verified in PubChem"]
[1157,"CN(C)c1ccc(cc1)N=Nc2ccccc2\n\n\n","CN(c1ccc(cc1)N=Nc1ccccc1)C","N(=Nc1ccc(cc1)N(C)C)c2ccccc2","",1,"4-(N,N-DIMETHYLAMINO)AZOBENZENE(1)","60-11-7(1)","181","High Reliability","-"]
[1158,"CC(=O)NCC(O)=O.CC(=O)NCC(O)=O.NC(=N)c1ccc(NN=Nc2ccc(cc2)C(N)=N)cc1\nCC(=O)NCC(O)=O.NC(=N)c1ccc(NN=Nc2ccc(cc2)C(N)=N)cc1\n\n","NC(=N)c1ccc(cc1)NN=Nc1ccc(cc1)C(=N)N","N=C(N)c2ccc(N=NNc1ccc(cc1)C(=N)N)cc2","",1,"Diminazene Aceturate(1)","908-54-3(1)","2736","High Reliability","Differences in counterions, Organic counterion, Stereochemistry removed"]
[1159,"OC(=O)C1CCCN1C(=O)COC(=O)c2ccccc2\n\n\n","O=C(N1CCCC1C(=O)O)COC(=O)c1ccccc1","O=C(OCC(=O)N1CCCC1(C(=O)O))c2ccccc2","",1,"L-PROLINE, N-[(BENZOYLOXY)ACETYL]-(1)","115178-75-1(1)","5590","Medium Reliability","Stereochemistry removed"]
[1160,"CCOP(=O)(Sc1ccccc1)Sc2ccccc2\n\n\n","CCOP(=O)(Sc1ccccc1)Sc1ccccc1","O=P(OCC)(Sc1ccccc1)Sc2ccccc2","",1,"EDIFENPHOS(1)","17109-49-8(1)","4143","High Reliability","-"]
[1161,"Cc1cccc(C)c1N(Cn2cccn2)C(=O)CCl\n\n\n","ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1","O=C(N(c1c(cccc1C)C)Cn2nccc2)CCl","",1,"Metazachlor(1)","67129-08-2(1)","5075","High Reliability","-"]
[1162,"CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2\n\n\n","O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl","O=C(C(Oc1ccc(cc1)Cl)n2ncnc2)C(C)(C)C","",1,"TRIADIMEFON(1)","43121-43-3(1)","4770","High Reliability","-"]
[1163,"COc1nc(C)nc(NC(=O)NS(=O)(=O)c2c(OCCCl)cccc2)n1\n\n\n","ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC","O=C(Nc1nc(nc(n1)C)OC)NS(=O)(=O)c2ccccc2(OCCCl)","",1,"Triasulfuron(1)","82097-50-5(1)","5273","High Reliability","-"]
[1164,"Cc1cccc(C)c1N(C2CCOC2=O)C(=O)CCl\n\n\n","ClCC(=O)N(c1c(C)cccc1C)C1CCOC1=O","O=C1OCCC1N(C(=O)CCl)c2c(cccc2C)C","",1,"Ofurace(1)","58810-48-3(1)","4962","High Reliability","-"]
[1165,"CCOP(=S)(OCC)Oc1cc2c(cc1)c(C)c(Cl)c(=O)o2\nCCOP(=S)(OCC)Oc1ccc2c(c(Cl)c(=O)oc2c1)C\n\n","CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC","O=C2Oc1cc(OP(OCC)(OCC)=S)ccc1C(=C2Cl)C","",1,"COUMAPHOS(1)","56-72-4(1)","105","High Reliability","-"]
[1166,"CCCN(CC1CC1)c2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O\n\n\n","CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC1CC1","O=[N+]([O-])c1cc(cc(c1N(CCC)CC2CC2)[N+](=O)[O-])C(F)(F)F","",1,"PROFLURALIN(1)","26399-36-0(1)","4418","High Reliability","-"]
[1167,"Cc1cc(ccc1N)-c2ccc(N)c(C)c2\nNc1ccc(OCCOc2ccc(N)cc2)cc1\n\n","Nc1ccc(cc1C)c1ccc(c(c1)C)N","Nc1ccc(cc1C)c2ccc(N)c(c2)C","",1,"bianisidine(1)","119-93-7(1)","1349","High Reliability","Name verified in PubChem"]
[1168,"COc1cc(ccc1N)-c2cc(OC)c(N)cc2\n\n\n","COc1cc(ccc1N)c1ccc(c(c1)OC)N","O(c1cc(ccc1(N))c2ccc(N)c(OC)c2)C","",1,"3,3'-DIMETHOXYBENZIDINE(1)","119-90-4(1)","1347","High Reliability","-"]
[1169,"Nc1ccc(cc1)S(=O)(=O)c2ccc(NCCO)cc2\nCC(O)Nc1ccccc1S(=O)(=O)c2ccc(N)cc2\n\n","OCCNc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N","O=S(=O)(c1ccc(N)cc1)c2ccc(cc2)NCCO","",1,"2-p-sulfanilylanilinoethanol(1)","80-02-4(1)","484","High Reliability","Name verified in PubChem"]
[1170,"CN(C)c1ccc(cc1)N=Nc2ccc(N)cc2\n\n\n","Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C","N(=Nc1ccc(cc1)N(C)C)c2ccc(N)cc2","",1,"C.I. DISPERSE BLACK 3(1)","539-17-3(1)","2058","High Reliability","Organic counterion"]
[1171,"CC(C)COc1cc2ccccc2cc1\nCC(C)COc1ccc2ccccc2c1\n\n","CC(COc1ccc2c(c1)cccc2)C","O(c1ccc2ccccc2(c1))CC(C)C","",1,"Naphthalene, 2-(2-methylpropoxy)-(1)","2173-57-1(1)","3118","High Reliability","-"]
[1172,"CCCC(=O)OCOC(=O)c1ccccc1OC(C)=O\n\n\n","CCCC(=O)OCOC(=O)c1ccccc1OC(=O)C","O=C(OCOC(=O)CCC)c1ccccc1(OC(=O)C)","",1,"BENZOIC ACID, 2-(ACETYLOXY)-, (1-OXOBUTOXY)METHY(1)","118247-07-7(1)","5623","Medium Reliability","Checked on PubChem"]
[1173,"CCCCC(O)(Cn1cncn1)c2ccc(Cl)cc2Cl\n\n\n","CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O","OC(c1ccc(cc1Cl)Cl)(Cn2ncnc2)CCCC","",1,"Hexaconazole(1)","79983-71-4(1)","5258","High Reliability","-"]
[1174,"NS(=O)(=O)c1cc2c(CN(C3CCCCC3)C2=O)cc1Cl\n\n\n","O=C1N(Cc2c1cc(c(c2)Cl)S(=O)(=O)N)C1CCCCC1","O=C2c1cc(c(cc1CN2C3CCCCC3)Cl)S(=O)(=O)N","",1,"Clorexolone(1)","2127-01-7(1)","3100","Medium Reliability","-"]
[1175,"CCOP(=S)(OCC)SC(CCl)N1C(=O)c2c(cccc2)C1=O\nCCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O\n\n","ClCC(N1C(=O)c2c(C1=O)cccc2)SP(=S)(OCC)OCC","O=C1c2ccccc2(C(=O)N1C(CCl)SP(OCC)(OCC)=S)","",1,"DIALIFOR(1)","10311-84-9(1)","3910","High Reliability","-"]
[1176,"CCOP(=S)(OCC)Oc1nn(c(=O)cc1)-c2ccccc2\n\n\n","CCOP(=S)(Oc1ccc(=O)n(n1)c1ccccc1)OCC","O=C1C=CC(=NN1c2ccccc2)OP(OCC)(OCC)=S","",1,"PYRIDAPHENTHION(1)","119-12-0(1)","1331","High Reliability","-"]
[1177,"CCn1cc(C(O)=O)c(=O)c2c1nc(nc2)N3CCNCC3\n\n\n","CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1","O=C(O)C1=CN(c2nc(ncc2(C1(=O)))N3CCNCC3)CC","",1,"PIPEMIDIC ACID(1)","51940-44-4(1)","4823","High Reliability","-"]
[1178,"CCS(=O)(=O)c1cccnc1S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2\n\n\n","COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC","O=C(Nc1nc(OC)cc(n1)OC)NS(=O)(=O)c2ncccc2S(=O)(=O)CC","",1,"RIMSULFURON(1)","122931-48-0(1)","5647","High Reliability","-"]
[1179,"CC(C)OC(=O)c1cc(cc(c1)C(=O)OC(C)C)[N+]([O-])=O\n\n\n","CC(OC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OC(C)C)C","O=C(OC(C)C)c1cc(cc(c1)[N+](=O)[O-])C(=O)OC(C)C","",1,"Nitrothal-isopropyl(1)","10552-74-6(1)","3927","High Reliability","-"]
[1180,"CCCCOCCOC(=O)COc1c(Cl)cc(Cl)cc1\nCCCCOCCOC(=O)COc1ccc(Cl)cc1Cl\n\n","CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl","O=C(OCCOCCCC)COc1ccc(cc1Cl)Cl","",1,"2,4-D, BUTOXYETHYL ESTER(1)","1929-73-3(1)","3037","Medium Reliability","-"]
[1181,"CCCSP(=O)(OCC)Oc1cn(nc1)-c2ccc(Cl)cc2\n\n\n","CCCSP(=O)(Oc1cnn(c1)c1ccc(cc1)Cl)OCC","O=P(Oc1cnn(c1)c2ccc(cc2)Cl)(OCC)SCCC","",1,"Pyraclofos(1)","77458-01-6(1)","5239","High Reliability","-"]
[1182,"CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2\n\n\n","OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl","OC(C(Oc1ccc(cc1)Cl)n2ncnc2)C(C)(C)C","",3,"TRIADIMENOL(1), Triadimenol (diastereoisomer B)(1), Triadimenol (diastereoisomer A)(1)","55219-65-3(1), 82200-72-4(1), 89482-17-7(1)","4902, 5276, 5339","High Reliability","Manual Check passed"]
[1183,"CN(C)CCN(Cc1ccc(Cl)s1)c2ccccn2\nCN(C)CCN(Cc1sc(Cl)cc1)c2ccccn2.OC(=O)CC(O)(CC(O)=O)C(O)=O\n\n","CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C","n1ccccc1N(Cc2ccc(Cl)s2)CCN(C)C","",1,"CHLOROTHEN(1)","148-65-2(1)","1616","High Reliability","Differences in counterions"]
[1184,"CCC1(C(O)=NC(=O)N=C1O)C2=CC3CCC(C3)C2\nCCC1(C(=O)NC(=O)NC1=O)C2=CC3CCC(C3)C2\n\n","CCC1(C2=CC3CC(C2)CC3)C(=NC(=O)N=C1O)O","O=C1N=C(O)C(C(O)=N1)(C2=CC3CCC(C2)C3)CC","",1,"REPOSAL(1)","3625-25-0(1)","3404","High Reliability","Stereochemistry removed"]
[1185,"COCC(=O)N(N1CCOC1=O)c2c(C)cccc2C\n\n\n","COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O","O=C1OCCN1N(C(=O)COC)c2c(cccc2C)C","",1,"Oxadixyl(1)","77732-09-3(1)","5245","High Reliability","-"]
[1186,"CC(=O)c1c(C)c(c(c(c1C)[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C","O=C(c1c(c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C","",1,"Musk ketone(1)","81-14-1(1)","505","High Reliability","-"]
[1187,"COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC\n\n\n","COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC","n1cc(c(nc1N)N)Cc2cc(OC)c(OC)c(OC)c2","",1,"TRIMETHOPRIM(1)","738-70-5(1)","2664","High Reliability","-"]
[1188,"CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2\n\n\n","CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2","O=C(OC)Nc2nc1ccccc1n2(C(=O)NCCCC)","",1,"BENOMYL(1)","17804-35-2(1)","4172","Medium Reliability","-"]
[1189,"CCOC(=O)c1c(n(C)nc1)S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2\n\n\n","CCOC(=O)c1cnn(c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C","O=C(OCC)c1cnn(c1S(=O)(=O)NC(=O)Nc2nc(OC)cc(n2)OC)C","",1,"Pyrazosulfuron-ethyl(1)","93697-74-6(1)","5385","High Reliability","-"]
[1190,"CCCOC(=O)c1c(cccc1)C(=O)OCCC\nCCCOC(=O)c1ccccc1C(=O)OCCC\n\n","CCCOC(=O)c1ccccc1C(=O)OCCC","O=C(OCCC)c1ccccc1(C(=O)OCCC)","",1,"DIPROPYL PHTHALATE(1)","131-16-8(1)","1497","High Reliability","-"]
[1191,"CC(C)OC(=O)c1ccccc1C(=O)OC(C)C\n\n\n","CC(OC(=O)c1ccccc1C(=O)OC(C)C)C","O=C(OC(C)C)c1ccccc1(C(=O)OC(C)C)","",1,"DI-I-PROPYL PHTHALATE(1)","605-45-8(1)","2380","Medium Reliability","-"]
[1192,"COCCOC(=O)c1c(cccc1)C(=O)OCCOC\nCOC(C)OC(=O)c1ccccc1C(=O)OC(C)OC\nCOCCOC(=O)c1ccccc1C(=O)OCCOC\n","COCCOC(=O)c1ccccc1C(=O)OCCOC","O=C(OCCOC)c1ccccc1(C(=O)OCCOC)","",1,"bis(methoxyethyl)phthalate(1)","117-82-8(1)","1312","High Reliability","Name verified in PubChem"]
[1193,"CC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1\n\n\n","OCC1OC(Oc2ccc(cc2)C(=O)C)C(C(C1O)O)O","O=C(c2ccc(OC1OC(CO)C(O)C(O)C1(O))cc2)C","",1,"Picein(1)","530-14-3(1)","2014","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1194,"CN(C)CCN(Cc1cscc1)c2ncccc2\n\n\n","CN(CCN(c1ccccn1)Cc1cscc1)C","n1ccccc1N(Cc2ccsc2)CCN(C)C","",1,"THENYLDIAMINE(1)","91-79-2(1)","677","High Reliability","-"]
[1195,"CN(C)CCN(Cc1cccs1)c2ccccn2\n\n\n","CN(CCN(c1ccccn1)Cc1cccs1)C","n1ccccc1N(Cc2cccs2)CCN(C)C","",1,"METHAPYRILENE(1)","91-80-5(1)","678","High Reliability","-"]
[1196,"CCN(CC)C(=O)CCC(=O)OCn1ncc2c1ncnc2O\n\n\n","CCN(C(=O)CCC(=O)OCn1ncc2c1ncnc2O)CC","O=C(OCn2ncc1c(O)ncnc12)CCC(=O)N(CC)CC","",1,"ALLOPURINOL,1-[N,N-DIETHYLSUCCINAMYL-OXYMETHYL]-(1)","98827-27-1(1)","5428","Medium Reliability","Checked on PubChem"]
[1197,"COc1ccc(CC2NCC(O)C2OC(C)=O)cc1\n\n\n","COc1ccc(cc1)CC1NCC(C1OC(=O)C)O","O=C(OC2C(O)CNC2(Cc1ccc(OC)cc1))C","",1,"Anisomycin(1)","22862-76-6(1)","4328","High Reliability","Stereochemistry removed"]
[1198,"COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1\n\n\n","COP(=O)(OC(=CC(=O)OC(c1ccccc1)C)C)OC","O=C(OC(c1ccccc1)C)C=C(OP(=O)(OC)OC)C","",1,"CROTOXYPHOS(1)","7700-17-6(1)","3872","High Reliability","Stereochemistry removed"]
[1199,"CCc1cccc(CC)c1N(COC)C(=O)CCl\n\n\n","COCN(c1c(CC)cccc1CC)C(=O)CCl","O=C(N(c1c(cccc1CC)CC)COC)CCl","",1,"ALACHLOR(1)","15972-60-8(1)","4085","High Reliability","-"]
[1200,"CCOCN(C(=O)CCl)c1c(CC)cccc1C\nCCOCN(C(=O)CCl)c1c(C)cccc1CC\n\n","CCOCN(c1c(C)cccc1CC)C(=O)CCl","O=C(N(c1c(cccc1CC)C)COCC)CCl","",1,"ACETOCHLOR(1)","34256-82-1(1)","4584","High Reliability","-"]
[1201,"CC1CCCCC1NC(=O)Nc2ccccc2\n\n\n","O=C(Nc1ccccc1)NC1CCCCC1C","O=C(Nc1ccccc1)NC2CCCCC2(C)","",1,"SIDURON(1)","1982-49-6(1)","3057","High Reliability","-"]
[1202,"Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2\n\n\n","O=C(NS(=O)(=O)c1ccc(cc1)C)NC1CCCCC1","O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)C","",1,"TOLCYCLAMIDE(1)","664-95-9(1)","2621","Medium Reliability","-"]
[1203,"CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C\n\n\n","CCOC(=O)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC","O=C(OCC)c1cn2nc(OP(OCC)(OCC)=S)cc2(nc1C)","",1,"PYRAZOPHOS(1)","13457-18-6(1)","3979","High Reliability","-"]
[1204,"CC(=O)OCC(O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C=O\n\n\n","O=CC(C(C(C(COC(=O)C)O)OC(=O)C)OC(=O)C)OC(=O)C","O=CC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(O)COC(=O)C","",1,"D-Glucose, 2,3,4,6-tetraacetate(1)","40437-08-9(1)","4730","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[1205,"CCCCCCCOC(=O)c1ccc(O)cc1\n\n\n","CCCCCCCOC(=O)c1ccc(cc1)O","O=C(OCCCCCCC)c1ccc(O)cc1","",1,"HEPTYL P-HYDROXYBENZOATE(1)","1085-12-7(1)","2821","High Reliability","-"]
[1206,"O=P(Oc1ccccc1)(N2CCOCC2)N3CCOCC3\n\n\n","O=P(N1CCOCC1)(N1CCOCC1)Oc1ccccc1","O=P(Oc1ccccc1)(N2CCOCC2)N3CCOCC3","",1,"Phosphinic acid, di-4-morpholinyl-, phenyl ester(1)","4881-17-8(1)","3549","Medium Reliability","-"]
[1207,"Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2\n\n\n","O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1","O=C(NN1CCCCCC1)NS(=O)(=O)c2ccc(cc2)C","",1,"TOLAZAMIDE(1)","1156-19-0(1)","2854","High Reliability","-"]
[1208,"CCC(C)Nc1c(cc(cc1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O\n\n\n","CCC(Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C","O=[N+]([O-])c1cc(cc(c1(NC(C)CC))[N+](=O)[O-])C(C)(C)C","",1,"BUTRALIN(1)","33629-47-9(1)","4568","High Reliability","-"]
[1209,"CCCCCCCOC(=O)c1ccc(N)cc1\n\n\n","CCCCCCCOC(=O)c1ccc(cc1)N","O=C(OCCCCCCC)c1ccc(N)cc1","",1,"BENZOIC ACID, 4-AMINO-, HEPTYL ESTER(1)","14309-40-1(1)","4027","High Reliability","-"]
[1210,"CCCCCCCCOC(=O)c1cnccc1\n\n\n","CCCCCCCCOC(=O)c1cccnc1","O=C(OCCCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxylic acid, octyl ester(1)","70136-02-6(1)","5135","High Reliability","-"]
[1211,"CON(C1CCCCC1)C(=O)c2c(C)oc(C)c2\n\n\n","CON(C(=O)c1cc(oc1C)C)C1CCCCC1","O=C(c1cc(oc1C)C)N(OC)C2CCCCC2","",1,"Furmecyclox(1)","60568-05-0(1)","4995","High Reliability","-"]
[1212,"CCCN(CCC)C(=O)SCc1ccccc1\n\n\n","CCCN(C(=O)SCc1ccccc1)CCC","O=C(N(CCC)CCC)SCc1ccccc1","",1,"PROSULFOCARB(1)","52888-80-9(1)","4864","High Reliability","-"]
[1213,"CCCCCCCCc1ccccc1\n\n\n","CCCCCCCCc1ccccc1","c1ccc(cc1)CCCCCCCC","",1,"OCTYLBENZENE(1)","2189-60-8(1)","3121","High Reliability","-"]
[1214,"CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC\n[H+].[Cl-].CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC\n\n","CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC","O=C(NCCN(CC)CC)c1cc(c(N)cc1(OC))Cl","",1,"METOCLOPRAMIDE(1)","364-62-5(1)","1755","High Reliability","Differences in counterions"]
[1215,"CCCCCCCCN=C(O)c1cnccc1\nCCCCCCCCNC(=O)c1cccnc1\n\n","CCCCCCCCN=C(c1cccnc1)O","OC(=NCCCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxamide, N-octyl-(1)","81475-34-5(1)","5266","Medium Reliability","-"]
[1216,"CCN(CC)CC(=O)Nc1c(C)cccc1C\n\n\n","CCN(CC(=O)Nc1c(C)cccc1C)CC","O=C(Nc1c(cccc1C)C)CN(CC)CC","",1,"LIDOCAINE(1)","137-58-6(1)","1535","High Reliability","-"]
[1217,"CC(C)NCC(O)COc1ccc(CC(N)=O)cc1\n\n\n","OC(COc1ccc(cc1)CC(=O)N)CNC(C)C","O=C(N)Cc1ccc(OCC(O)CNC(C)C)cc1","",1,"ATENOLOL(1)","29122-68-7(1)","4475","High Reliability","-"]
[1218,"CC(C)(C)c1cc(c(O)cc1)C(C)(C)C\nCC(C)(C)c1ccc(O)c(c1)C(C)(C)C\n\n","Oc1ccc(cc1C(C)(C)C)C(C)(C)C","Oc1ccc(cc1C(C)(C)C)C(C)(C)C","",1,"2,4-DI-T-BUTYLPHENOL(1)","96-76-4(1)","782","High Reliability","-"]
[1219,"CC(C)(C)c1cccc(c1O)C(C)(C)C\n\n\n","CC(c1cccc(c1O)C(C)(C)C)(C)C","Oc1c(cccc1C(C)(C)C)C(C)(C)C","",1,"2,6-DI-T-BUTYLPHENOL(1)","128-39-2(1)","1487","High Reliability","-"]
[1220,"CCC(C)c1cccc(C(C)CC)c1O\n\n\n","CCC(c1cccc(c1O)C(CC)C)C","Oc1c(cccc1C(C)CC)C(C)CC","",1,"2,6-DI-SEC-BUTYLPHENOL(1)","5510-99-6(1)","3629","High Reliability","Stereochemistry removed"]
[1221,"CCCC(O)(CCC)C(O)c1ccccc1\n\n\n","CCCC(C(c1ccccc1)O)(CCC)O","OC(c1ccccc1)C(O)(CCC)CCC","",1,"1,2-Pentanediol, 1-phenyl-2-propyl-(1)","20805-10-1(1)","4276","Medium Reliability","-"]
[1222,"CC(=C)C(=O)OCCOCCOCCOC(=O)C(C)=C\nCC(=C)C(O)=O.CC(=C)C(O)=O.OCCOCCOCCO\n\n","O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C","O=C(OCCOCCOCCOC(=O)C(=C)C)C(=C)C","",1,"triethyleneglycoldimethacrylate(1)","109-16-0(1)","1124","High Reliability","Name verified in PubChem"]
[1223,"CCCCOP(=O)(OCCCC)Oc1ccccc1\n\n\n","CCCCOP(=O)(Oc1ccccc1)OCCCC","O=P(Oc1ccccc1)(OCCCC)OCCCC","",1,"DIBUTYL PHENYL PHOSPHATE(1)","2528-36-1(1)","3229","High Reliability","-"]
[1224,"CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1\n\n\n","CC(OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1)C","O=S(=O)(NCCSP(OC(C)C)(OC(C)C)=S)c1ccccc1","",1,"BENSULIDE(1)","741-58-2(1)","2665","High Reliability","-"]
[1225,"CCOC(=O)CCCCCCCCC(=O)OCC\n\n\n","CCOC(=O)CCCCCCCCC(=O)OCC","O=C(OCC)CCCCCCCCC(=O)OCC","",1,"DIETHYL SEBACATE(1)","110-40-7(1)","1169","High Reliability","-"]
[1226,"OC(=O)CCCCCCCCCCCCC(O)=O\n\n\n","OC(=O)CCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCC(=O)O","",1,"1,12-Dodecanedicarboxylic acid(1)","821-38-5(1)","2700","High Reliability","-"]
[1227,"CCOCCOC(=O)CCCCC(=O)OCCOCC\n\n\n","CCOCCOC(=O)CCCCC(=O)OCCOCC","O=C(OCCOCC)CCCCC(=O)OCCOCC","",1,"Hexanedioic acid, bis(2-ethoxyethyl) ester(1)","109-44-4(1)","1127","High Reliability","-"]
[1228,"CCCCCC(=O)NCCNC(=O)CCCCC\n\n\n","CCCCCC(=O)NCCNC(=O)CCCCC","O=C(NCCNC(=O)CCCCC)CCCCC","",1,"Hexanamide, N,N'-1,2-ethanediylbis-(1)","50905-12-9(1)","4792","Medium Reliability","Checked on PubChem"]
[1229,"CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C\n\n\n","CCCOP(=S)(SCC(=O)N1CCCCC1C)OCCC","O=C(N1CCCCC1C)CSP(OCCC)(OCCC)=S","",1,"PIPEROPHOS(1)","24151-93-7(1)","4358","High Reliability","-"]
[1230,"CCCCCCCCCCCCCC(O)=O\n\n\n","CCCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCC","",1,"TETRADECANOIC ACID(1)","544-63-8(1)","2110","Medium Reliability","-"]
[1231,"CCCCCCCCCCCCCC\n\n\n","CCCCCCCCCCCCCC","CCCCCCCCCCCCCC","",1,"TETRADECANE(1)","629-59-4(1)","2567","High Reliability","-"]
[1232,"CCCCCCCCCCCCCCO\n\n\n","CCCCCCCCCCCCCCO","OCCCCCCCCCCCCCC","",1,"1-TETRADECANOL(1)","112-72-1(1)","1263","High Reliability","-"]
[1233,"CCCCOP(=O)(OCCCC)OCCCCOCC\n\n\n","CCCCOP(=O)(OCCCC)OCCCCOCC","O=P(OCCCC)(OCCCC)OCCCCOCC","",1,"Phosphoric acid, dibutyl 4-ethoxybutyl ester(1)","100888-67-3(1)","5454","Medium Reliability","-"]
[1234,"CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O\n\n\n","CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O","OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C","",1,"Entprol(1)","102-60-3(1)","918","High Reliability","-"]
[1235,"OC(=O)c1c(C(O)=Nc2cccc(Cl)c2Cl)c(Cl)c(Cl)c(Cl)c1Cl\nOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc2cccc(Cl)c2Cl\n\n","Clc1cccc(c1Cl)N=C(c1c(Cl)c(Cl)c(c(c1C(=O)O)Cl)Cl)O","O=C(O)c2c(C(O)=Nc1cccc(c1Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl","",1,"Tecloftalam(1)","76280-91-6(1)","5222","High Reliability","-"]
[1236,"Fc1cccc(F)c1C(=O)NC(=O)Nc2c(F)c(Cl)c(F)c(Cl)c2\n\n\n","O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F","O=C(NC(=O)c1c(F)cccc1(F))Nc2cc(c(F)c(c2(F))Cl)Cl","",1,"TEFLUBENZURON(1)","83121-18-0(1)","5286","High Reliability","-"]
[1237,"OC(=O)c1c(ccc(Oc2ccc(cc2Cl)C(F)(F)F)c1)[N+]([O-])=O\nOC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O\n\n","Clc1cc(ccc1Oc1ccc(c(c1)C(=O)O)[N+](=O)[O-])C(F)(F)F","O=C(O)c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-]","",1,"ACIFLUORFEN(1)","50594-66-6(1)","4786","High Reliability","-"]
[1238,"Brc1cc(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)c1\n\n\n","Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br","O(c1c(cc(cc1Br)Br)Br)CCOc2c(cc(cc2Br)Br)Br","",1,"1,2-Bis(2,4,6-tribromophenoxy)ethane(1)","37853-59-1(1)","4654","High Reliability","-"]
[1239,"Clc1ccccc1-c2nnc(nn2)-c3c(Cl)cccc3\nClc1ccccc1-c2nnc(nn2)-c3ccccc3Cl\n\n","Clc1ccccc1c1nnc(nn1)c1ccccc1Cl","n1nc(nnc1c2ccccc2Cl)c3ccccc3Cl","",1,"CLOFENTEZINE(1)","74115-24-5(1)","5192","Medium Reliability","-"]
[1240,"ClC(Cl)=C(c1ccc(Cl)cc1)c2c(Cl)cccc2\nClc1ccc(cc1)C(=C(Cl)Cl)c2ccccc2Cl\n\n","Clc1ccc(cc1)C(=C(Cl)Cl)c1ccccc1Cl","c1ccc(c(c1)C(c2ccc(cc2)Cl)=C(Cl)Cl)Cl","",1,"O,P'-DDE(1)","3424-82-6(1)","3382","High Reliability","-"]
[1241,"ClC(Cl)=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2\n\n\n","ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl","c1cc(ccc1C(c2ccc(cc2)Cl)=C(Cl)Cl)Cl","",1,"P,P'-DDE(1)","72-55-9(1)","297","High Reliability","-"]
[1242,"Oc1c(cc(cc1)N(=O)=O)C(=O)C(=O)c2c(O)ccc(c2)N(=O)=O\nOc1ccc(cc1C(=O)C(=O)c2cc(ccc2O)[N+]([O-])=O)[N+]([O-])=O\n\n","O=C(c1cc(ccc1O)[N+](=O)[O-])C(=O)c1cc(ccc1O)[N+](=O)[O-]","O=C(C(=O)c1cc(ccc1(O))[N+](=O)[O-])c2cc(ccc2(O))[N+](=O)[O-]","",1,"Ethanedione, bis(2-hydroxy-5-nitrophenyl)-(1)","528-10-9(1)","2003","Medium Reliability","-"]
[1243,"S(Sc1nc2c(s1)cccc2)c3nc4c(s3)cccc4\nS(Sc1sc2ccccc2n1)c3sc4ccccc4n3\n\n","c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2","n2c1ccccc1sc2SSc4nc3ccccc3s4","",1,"2,2'-DITHIOBISBENZOTHIAZOLE(1)","120-78-5(1)","1362","High Reliability","-"]
[1244,"O=C1C(=O)c2c(cccc2)-c3c1cccc3\nO=C1C(=O)c2ccccc2-c3ccccc13\n\n","O=C1C(=O)c2ccccc2c2c1cccc2","O=C2C(=O)c1ccccc1c3ccccc23","",1,"9,10-PHENANTHRENEDIONE(1)","84-11-7(1)","534","High Reliability","-"]
[1245,"O=C1c2c(cccc2)C(=O)c3c1cccc3\nO=C1c2ccccc2C(=O)c3ccccc13\n\n","O=C1c2ccccc2C(=O)c2c1cccc2","O=C1c3ccccc3(C(=O)c2ccccc12)","",1,"ANTHRAQUINONE(1)","84-65-1(1)","543","High Reliability","-"]
[1246,"Oc1c2C(=O)c3c(cccc3)C(=O)c2ccc1\nOc1cccc2C(=O)c3ccccc3C(=O)c12\n\n","Oc1cccc2c1C(=O)c1ccccc1C2=O","O=C1c3ccccc3(C(=O)c2c(O)cccc12)","",1,"1-HYDROXYANTHRAQUINONE(1)","129-43-1(1)","1491","High Reliability","-"]
[1247,"Oc1cc2c(cc1)C(=O)c3ccccc3C2=O\nOc1ccc2C(=O)c3ccccc3C(=O)c2c1\n\n","Oc1ccc2c(c1)C(=O)c1c(C2=O)cccc1","O=C1c3ccccc3(C(=O)c2cc(O)ccc12)","",1,"2-HYDROXYANTHRAQUINONE(1)","605-32-3(1)","2379","High Reliability","-"]
[1248,"Oc1ccc2C(=O)c3c(cccc3)C(=O)c2c1O\nOc1ccc2C(=O)c3ccccc3C(=O)c2c1O\n\n","O=C1c2ccccc2C(=O)c2c1ccc(c2O)O","O=C1c3ccccc3(C(=O)c2c(O)c(O)ccc12)","",1,"ALIZARINE(1)","72-48-0(1)","295","High Reliability","-"]
[1249,"Oc1cc2c(cc1)C(=O)c3c(ccc(O)c3)C2=O\nOc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1\n\n","Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O","O=C1c3ccc(O)cc3(C(=O)c2ccc(O)cc12)","",1,"2,6-DIHYDROXY-ANTHRAQUINONE(1)","84-60-6(1)","540","Medium Reliability","-"]
[1250,"Oc1cc(O)c(O)c2c1C(=O)c3c(cccc3)C2=O\nOc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O\n\n","Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O","O=C1c3ccccc3(C(=O)c2c(O)c(O)cc(O)c12)","",1,"PURPURIN(1)","81-54-9(1)","508","High Reliability","-"]
[1251,"OS(=O)(=O)c1cccc2c1C(=O)c3c(cccc3C2=O)S(O)(=O)=O\n\n\n","O=C1c2cccc(c2C(=O)c2c1cccc2S(=O)(=O)O)S(=O)(=O)O","O=C2c3cccc(c3(C(=O)c1c2(cccc1S(=O)(=O)O)))S(=O)(=O)O","",1,"1,8-ANTHRAQUINONEDISULFONIC ACID(1)","82-48-4(1)","514","High Reliability","-"]
[1252,"OS(=O)(=O)c1cccc2c1C(=O)c3cccc(c3C2=O)S(O)(=O)=O\nOS(=O)(=O)C1=C(C(=O)c2cc3=CC=CC(=O)c3cc2=C1)S(O)(=O)=O\nOS(=O)(=O)c1cccc2C(=O)c3c(cccc3S(O)(=O)=O)C(=O)c12\n","O=C1c2cccc(c2C(=O)c2c1c(ccc2)S(=O)(=O)O)S(=O)(=O)O","O=C1c3cccc(c3(C(=O)c2cccc(c12)S(=O)(=O)O))S(=O)(=O)O","",1,"1,5-anthraquinonedisulfonicacid(1)","117-14-6(1)","1305","High Reliability","Name verified in PubChem"]
[1253,"OC(=O)c1ccccc1C(=O)c2ccc(Br)cc2\n\n\n","Brc1ccc(cc1)C(=O)c1ccccc1C(=O)O","O=C(O)c2ccccc2(C(=O)c1ccc(cc1)Br)","",1,"Benzoic acid, 2-(4-bromobenzoyl)-(1)","2159-40-2(1)","3109","High Reliability","-"]
[1254,"COC(=O)c1c(ccc(Oc2ccc(Cl)cc2Cl)c1)[N+]([O-])=O\nCOC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O\n\n","COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl","O=C(OC)c2cc(Oc1ccc(cc1Cl)Cl)ccc2[N+](=O)[O-]","",1,"BIFENOX(1)","42576-02-3(1)","4761","High Reliability","-"]
[1255,"Clc1ccc(cc1)C(c2ccccc2Cl)C(Cl)(Cl)Cl\n\n\n","Clc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccccc1Cl","c1ccc(c(c1)C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl","",1,"O,P'-DDT(1)","789-02-6(1)","2691","High Reliability","-"]
[1256,"Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl\n\n\n","ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl","c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl","",1,"P,P'-DDT(1)","50-29-3(1)","15","Medium Reliability","-"]
[1257,"OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl\n\n\n","OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl","OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C(Cl)(Cl)Cl","",1,"DICOFOL(1)","115-32-2(1)","1281","High Reliability","-"]
[1258,"Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2\n\n\n","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl","O=C(NC(=O)c1c(F)cccc1(F))Nc2ccc(cc2)Cl","",1,"DIFLUBENZURON(1)","35367-38-5(1)","4611","High Reliability","-"]
[1259,"OC(=O)c1c(cccc1)C(=O)c2ccc(Cl)cc2\nOC(=O)c1ccccc1C(=O)c2ccc(Cl)cc2\n\n","Clc1ccc(cc1)C(=O)c1ccccc1C(=O)O","O=C(O)c2ccccc2(C(=O)c1ccc(cc1)Cl)","",1,"Benzoic acid, 2-(4-chlorobenzoyl)-(1)","85-56-3(1)","558","High Reliability","-"]
[1260,"Nc1ccc2C(=O)c3c(cccc3)C(=O)c2c1\nNc1ccc2C(=O)c3ccccc3C(=O)c2c1\n\n","Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1","O=C1c3ccccc3(C(=O)c2cc(N)ccc12)","",1,"2-AMINOANTHRAQUINONE(1)","117-79-3(1)","1309","High Reliability","-"]
[1261,"[O-][N+](=O)c1c2ccccc2cc3ccccc13\n\n\n","[O-][N+](=O)c1c2ccccc2cc2c1cccc2","O=[N+]([O-])c2c3ccccc3(cc1ccccc12)","",1,"ANTHRACENE, 9-NITRO-(1)","602-60-8(1)","2369","High Reliability","-"]
[1262,"Nc1ccc(O)c2c1C(=O)c3ccccc3C2=O\n\n\n","Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N","O=C1c3ccccc3(C(=O)c2c(N)ccc(O)c12)","",1,"1-AMINO-4-HYDROXYANTHRAQUINONE(1)","116-85-8(1)","1304","High Reliability","-"]
[1263,"C1c2cccc3c2c4c1cccc4cc3\nC1c2cccc3ccc4cccc1c4c23\n\n","c1cc2Cc3c4c2c(c1)ccc4ccc3","c3cc2ccc1cccc4c1c2c(c3)C4","",1,"4,5-METHYLENEPHENANTHRENE(1)","203-64-5(1)","1649","High Reliability","-"]
[1264,"OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O\n\n\n","Clc1ccc2c(c1)C(=NC(C(=O)N2)O)c1ccccc1Cl","O=C1Nc3ccc(cc3(C(=NC1(O))c2ccccc2Cl))Cl","",1,"LORAZEPAM(1)","846-49-1(1)","2715","High Reliability","-"]
[1265,"FC(F)(F)Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1\n\n\n","O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F","O=C(NC(=O)c1ccccc1Cl)Nc2ccc(OC(F)(F)F)cc2","",1,"Triflumuron(1)","64628-44-0(1)","5039","High Reliability","-"]
[1266,"CS(=O)(=O)NC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O\n[Na+].CS(=O)(=O)[N-]C(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O\n\n","Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)[N+](=O)[O-])C(F)(F)F","O=C(NS(=O)(=O)C)c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-]","",1,"FOMESAFEN(1)","72178-02-0(1)","5172","High Reliability","Differences in counterions"]
[1267,"[O-][N+](=O)c1cc2c(NC(=O)CN=C2c3ccccc3Cl)cc1\n[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1\n\n","O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1Cl","O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2Cl))[N+](=O)[O-]","",1,"CLONAZEPAM(1)","1622-61-3(1)","2945","High Reliability","-"]
[1268,"OC(=O)c1c2ccccc2cc3ccccc13\n\n\n","OC(=O)c1c2ccccc2cc2c1cccc2","O=C(O)c2c3ccccc3(cc1ccccc12)","",1,"ANTHRACENE-9-CARBOXYLIC ACID(1)","723-62-6(1)","2659","High Reliability","-"]
[1269,"OC(=O)c1ccccc1C2OC(=O)c3ccccc23\n\n\n","OC(=O)c1ccccc1C1OC(=O)c2c1cccc2","O=C(O)c1ccccc1C3OC(=O)c2ccccc23","",1,"Benzoic acid, o-phthalidyl-(1)","109407-76-3(1)","5554","Medium Reliability","-"]
[1270,"Oc1cc(O)c(cc1)-c2c(O)c(=O)c3c(o2)cc(O)cc3O\nOc1ccc(c(O)c1)-c2c(O)c(=O)c3c(O)cc(O)cc3o2\n\n","Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O","O=C1C(O)=C(Oc2cc(O)cc(O)c12)c3ccc(O)cc3(O)","",1,"MORIN(1)","480-16-0(1)","1847","High Reliability","-"]
[1271,"Oc1cc2c(c(O)c1)c(=O)c(O)c(o2)-c3cc(O)c(O)cc3\nOc1cc(O)c2c(=O)c(c(oc2c1)-c3ccc(O)c(O)c3)O\n\n","Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O","O=C1C(O)=C(Oc2cc(O)cc(O)c12)c3ccc(O)c(O)c3","",1,"QUERCETIN(1)","117-39-5(1)","1308","High Reliability","-"]
[1272,"CCOc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O\n\n\n","CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F","O=[N+]([O-])c2ccc(Oc1ccc(cc1Cl)C(F)(F)F)cc2(OCC)","",1,"OXYFLUORFEN(1)","42874-03-3(1)","4768","High Reliability","-"]
[1273,"CC(Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1)C(O)=O\n[Na+].CC(Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1)C([O-])=O\n\n","OC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C","O=C(O)C(Oc2ccc(Oc1ncc(cc1Cl)C(F)(F)F)cc2)C","",1,"HALOXYFOP(1)","69806-34-4(1)","5129","High Reliability","Differences in counterions"]
[1274,"COC(=O)C1(O)c2c(cccc2)-c3c1cc(Cl)cc3\nCOC(=O)C1(O)c2ccccc2-c3ccc(Cl)cc13\n\n","COC(=O)C1(O)c2cc(Cl)ccc2c2c1cccc2","O=C(OC)C2(O)(c3ccccc3(c1ccc(cc12)Cl))","",1,"CHLORFLURECOL METHYL(1)","2536-31-4(1)","3231","Medium Reliability","-"]
[1275,"Cc1ccc2C(=O)c3c(cccc3)C(=O)c2c1N\nCc1ccc2C(=O)c3ccccc3C(=O)c2c1N\n\n","O=C1c2ccccc2C(=O)c2c1ccc(c2N)C","O=C1c3ccccc3(C(=O)c2c(N)c(ccc12)C)","",1,"1-AMINO-2-METHYL-9,10-ANTHRACENEDIONE(1)","82-28-0(1)","513","High Reliability","-"]
[1276,"Cc1c2ccccc2cc3ccccc13\n\n\n","Cc1c2ccccc2cc2c1cccc2","c1ccc3c(c1)cc2ccccc2c3C","",1,"9-METHYLANTHRACENE(1)","779-02-2(1)","2687","High Reliability","-"]
[1277,"Cc1cccc2cc3ccccc3cc12\n\n\n","Cc1cccc2c1cc1ccccc1c2","c2ccc3cc1c(cccc1C)cc3(c2)","",1,"1-METHYLANTHRACENE(1)","610-48-0(1)","2410","High Reliability","-"]
[1278,"Cc1c2ccc3ccccc3c2ccc1\nCc1cccc2c1ccc3ccccc23\n\n","Cc1cccc2c1ccc1c2cccc1","c1ccc3c(c1)ccc2c3(cccc2C)","",1,"1-METHYLPHENANTHRENE(1)","832-69-9(1)","2710","High Reliability","-"]
[1279,"Cc1cc2cc3ccccc3cc2cc1\nCc1ccc2cc3ccccc3cc2c1\n\n","Cc1ccc2c(c1)cc1c(c2)cccc1","c1ccc2cc3cc(ccc3(cc2(c1)))C","",1,"2-METHYLANTHRACENE(1)","613-12-7(1)","2422","High Reliability","-"]
[1280,"Cc1ccc2c(ccc3ccccc23)c1\n\n\n","Cc1ccc2c(c1)ccc1c2cccc1","c1ccc3c(c1)ccc2cc(ccc23)C","",1,"2-METHYLPHENANTHRENE(1)","2531-84-2(1)","3230","High Reliability","-"]
[1281,"CC(C)OC(=O)c1cc(-c2nn(C)c(c2Br)C(F)(F)F)c(F)cc1Cl\n\n\n","CC(OC(=O)c1cc(c(cc1Cl)F)c1nn(c(c1Br)C(F)(F)F)C)C","O=C(OC(C)C)c1cc(c(F)cc1Cl)c2nn(c(c2Br)C(F)(F)F)C","",1,"ISOPROPAZOL(1)","174514-07-9(1)","5751","High Reliability","-"]
[1282,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2c(F)c(F)cc(F)c2F\n\n\n","O=C(C1C(C1(C)C)C=C(Cl)Cl)OCc1c(F)c(F)cc(c1F)F","O=C(OCc1c(F)c(F)cc(F)c1(F))C2C(C=C(Cl)Cl)C2(C)(C)","",1,"Transfluthrin(1)","118712-89-3(1)","5625","High Reliability","Stereochemistry removed"]
[1283,"Clc1cc(Cl)c(OCCOC(=O)c2ccccc2)cc1\nClc1ccc(OCCOC(=O)c2ccccc2)c(Cl)c1\n\n","Clc1ccc(c(c1)Cl)OCCOC(=O)c1ccccc1","O=C(OCCOc1ccc(cc1Cl)Cl)c2ccccc2","",1,"2,4-DEB(1)","94-83-7(1)","735","Medium Reliability","-"]
[1284,"CS(=O)(=O)c1c(ccc(c1)C(F)(F)F)C(=O)c2c(onc2)C3CC3\nCS(=O)(=O)c1cc(ccc1C(=O)c2cnoc2C3CC3)C(F)(F)F\n\n","O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1","O=C(c1cnoc1C2CC2)c3ccc(cc3S(=O)(=O)C)C(F)(F)F","",1,"Isoxaflutole(1)","141112-29-0(1)","5710","High Reliability","-"]
[1285,"COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2\nCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(OC(F)F)n2\n\n","COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC(F)F)cc(n1)OC(F)F","O=C(OC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(OC(F)F)cc(n2)OC(F)F","",1,"PRIMISULFURON-METHYL(1)","86209-51-0(1)","5310","High Reliability","-"]
[1286,"NC(Cc1cc(I)c(Oc2cc(I)c(O)cc2)c(I)c1)C(O)=O\nNC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O\n\n","OC(=O)C(Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O)N","O=C(O)C(N)Cc2cc(c(Oc1ccc(O)c(c1)I)c(c2)I)I","",1,"O-(4-HYDROXY-3-IODOPHENYL)-3,5-DIIODO-L-TYROSINE(1)","6893-02-3(1)","3789","High Reliability","Stereochemistry removed"]
[1287,"NC(=O)N1c2ccccc2C=Cc3c1cccc3\nNC(=O)N1c2ccccc2C=Cc3ccccc13\n\n","NC(=O)N1c2ccccc2C=Cc2c1cccc2","O=C(N)N2c3ccccc3(C=Cc1ccccc12)","",1,"CARBAMAZEPINE(1)","298-46-4(1)","1693","High Reliability","-"]
[1288,"O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3\n\n\n","O=C1NC(=O)NC1(c1ccccc1)c1ccccc1","O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3","",1,"PHENYTOIN(1)","57-41-0(1)","124","High Reliability","-"]
[1289,"COC(=O)c1c(cccc1)C(=O)c2ccccc2\nCOC(=O)c1ccccc1C(=O)c2ccccc2\n\n","COC(=O)c1ccccc1C(=O)c1ccccc1","O=C(OC)c2ccccc2(C(=O)c1ccccc1)","",1,"BENZOIC ACID, 2-BENZOYL-, METHYL ESTER(1)","606-28-0(1)","2383","High Reliability","-"]
[1290,"Cc1cc2cc3cccc(O)c3c(O)c2c(O)c1\nCc1cc(O)c2C(=O)c3c(O)cccc3Cc2c1\nCc1cc(O)c2c(O)c3c(O)cccc3cc2c1\n","Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O","Oc2cccc3cc1cc(cc(O)c1c(O)c23)C","",1,"CHRYSAROBIN(1)","491-59-8(1)","1878","High Reliability","-"]
[1291,"CC(=O)Oc1ccccc1C(=O)Oc2ccccc2\n\n\n","CC(=O)Oc1ccccc1C(=O)Oc1ccccc1","O=C(Oc1ccccc1)c2ccccc2(OC(=O)C)","",1,"BENZOIC ACID, 2-(ACETYLOXY)-, PHENYL ESTER(1)","134-55-4(1)","1521","High Reliability","Checked on PubChem, Checked on ChemID"]
[1292,"Oc1cc(O)c2C(=O)CC(Oc2c1)c3cc(O)c(O)cc3\nOc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3\n\n","Oc1cc2OC(CC(=O)c2c(c1)O)c1ccc(c(c1)O)O","O=C2c3c(O)cc(O)cc3(OC(c1ccc(O)c(O)c1)C2)","",1,"ERIODICTYOL(1)","552-58-9(1)","2131","High Reliability","Stereochemistry removed"]
[1293,"Clc1cc(Cl)c(cc1OCC#C)-n2nc3CCCCn3c2=O\n\n\n","C#CCOc1cc(c(cc1Cl)Cl)n1nc2n(c1=O)CCCC2","O=C1N(N=C2N1CCCC2)c3cc(OCC#C)c(cc3Cl)Cl","",1,"AZAFENIDIN(1)","68049-83-2(1)","5095","High Reliability","-"]
[1294,"CC(C(O)=O)c1ccc(c(F)c1)-c2ccccc2\n\n\n","OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C","O=C(O)C(c1ccc(c(F)c1)c2ccccc2)C","",1,"FLURBIPROFEN(1)","5104-49-4(1)","3563","High Reliability","-"]
[1295,"CN1C(C(=O)Nc2ncccc2)=C(O)c3c(cccc3)S1(=O)=O\nCN1C(=C(O)Nc2ccccn2)C(=O)c3ccccc3S1(=O)=O\n\n","O=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)Nc1ccccn1","O=C(Nc1ncccc1)C3=C(O)c2ccccc2S(=O)(=O)N3C","",1,"PIROXICAM(1)","36322-90-4(1)","4625","High Reliability","Stereochemistry removed"]
[1296,"CN1c2ccccc2Sc3c1cc(CC(O)=O)cc3\n\n\n","OC(=O)Cc1ccc2c(c1)N(C)c1c(S2)cccc1","O=C(O)Cc1ccc3c(c1)N(c2ccccc2S3)C","",1,"Metiazinic acid(1)","13993-65-2(1)","4004","High Reliability","-"]
[1297,"Cc1cc(NC(=O)c2ccccc2C(O)=O)ccc1\nCc1cccc(NC(=O)c2ccccc2C(O)=O)c1\n\n","Cc1cccc(c1)NC(=O)c1ccccc1C(=O)O","O=C(O)c2ccccc2(C(=O)Nc1cccc(c1)C)","",1,"3'-Methylphthalanilic Acid(1)","85-72-3(1)","561","High Reliability","-"]
[1298,"CCOC(=O)C(Cl)Cc1c(Cl)cc(F)c(c1)-n2nc(C)n(C(F)F)c2=O\n\n\n","CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl","O=C(OCC)C(Cc1cc(c(F)cc1Cl)N2N=C(N(C2(=O))C(F)F)C)Cl","",1,"Carfentrazone-ethyl(1)","128639-02-1(1)","5668","High Reliability","-"]
[1299,"CC(C)(C)c1nn(c(=O)o1)-c2cc(OCC#C)c(Cl)cc2Cl\n\n\n","C#CCOc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C","O=C1OC(=NN1c2cc(OCC#C)c(cc2Cl)Cl)C(C)(C)C","",1,"Oxadiargyl(1)","39807-15-3(1)","4721","High Reliability","-"]
[1300,"NS(=O)(=O)c1c(cc2NC(Cc3ccccc3)NS(=O)(=O)c2c1)C(F)(F)F\nNS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F\n\n","O=S1(=O)NC(Cc2ccccc2)Nc2c1cc(c(c2)C(F)(F)F)S(=O)(=O)N","O=S(=O)(N)c1cc2c(cc1C(F)(F)F)NC(NS2(=O)(=O))Cc3ccccc3","",1,"BENDROFLUMETHIAZIDE(1)","73-48-3(1)","303","High Reliability","-"]
[1301,"Nc1ccc(cc1)S(=O)(=O)Nc2ccnn2-c3ccccc3\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1c1ccccc1","O=S(=O)(Nc2ccnn2(c1ccccc1))c3ccc(N)cc3","",1,"SULFAPHENAZOLE(1)","526-08-9(1)","1989","High Reliability","-"]
[1302,"CCOP(=S)(Oc1ccc(cc1)C#N)c2ccccc2\n\n\n","CCOP(=S)(c1ccccc1)Oc1ccc(cc1)C#N","N#Cc2ccc(OP(OCC)(c1ccccc1)=S)cc2","",1,"CYANOFENPHOS(1)","13067-93-1(1)","3950","High Reliability","-"]
[1303,"COc1c2ccc(=O)oc2cc3c1C=CC(C)(C)O3\n\n\n","COc1c2C=CC(Oc2cc2c1ccc(=O)o2)(C)C","O=C2Oc3cc1OC(C=Cc1c(OC)c3(C=C2))(C)C","",1,"Xanthoxyletin(1)","84-99-1(1)","549","High Reliability","-"]
[1304,"Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1\n\n\n","Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O","O=C(c1c(O)cc(O)cc1(O))CCc2ccc(O)cc2","",1,"PHLORETIN(1)","60-82-2(1)","194","High Reliability","-"]
[1305,"CCCOCC(=Nc1c(cc(Cl)cc1)C(F)(F)F)n2ccnc2\nCCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n2ccnc2\n\n","CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1","FC(F)(F)c2cc(ccc2(N=C(n1cncc1)COCCC))Cl","",1,"TRIFLUMIZOLE(1)","68694-11-1(1)","5114","High Reliability","Stereochemistry removed"]
[1306,"COC(=O)CSc1c(Cl)cc(F)c(c1)N=c2sc(=O)n3CCCCn23\nCOC(=O)CSc1cc(N=c2sc(=O)n3CCCCn23)c(F)cc1Cl\n\n","COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(cc1Cl)F","-","-",1,"Fluthiacet-methyl(1)","117337-19-6(1)","5613","High Reliability","Stereochemistry removed"]
[1307,"CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1\n\n\n","Clc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C","O=C(Nc2ccc(Oc1ccc(cc1)Cl)cc2)N(C)C","",1,"CHLOROXURON(1)","1982-47-4(1)","3056","High Reliability","-"]
[1308,"Cc1cccc(C)c1NC(=O)c2cc(c(Cl)cc2O)S(N)(=O)=O\n\n\n","O=C(c1cc(c(cc1O)Cl)S(=O)(=O)N)Nc1c(C)cccc1C","O=C(Nc1c(cccc1C)C)c2cc(c(cc2(O))Cl)S(=O)(=O)N","",1,"Xipamide(1)","14293-44-8(1)","4023","High Reliability","-"]
[1309,"Cc1c(Cl)c(C)c(Cc2ccccc2)c(O)c1\n\n\n","Oc1cc(C)c(c(c1Cc1ccccc1)C)Cl","Oc1cc(c(c(c1Cc2ccccc2)C)Cl)C","",1,"Phenol, 4-chloro-3,5-dimethyl-2-(phenylmethyl)-(1)","1867-85-2(1)","3006","Medium Reliability","-"]
[1310,"CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c2cncnc2\n\n\n","CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C","FC(F)(F)Oc1ccc(cc1)C(O)(c2cncnc2)C(C)C","",1,"FLURPRIMIDOL(1)","56425-91-3(1)","4930","High Reliability","-"]
[1311,"CCOc1cc2c(N)c3c(cc(N)cc3)nc2cc1\nO.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1\nO.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1.CC(O)C(O)=O\n","CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N","n2c1ccc(OCC)cc1c(N)c3ccc(N)cc23","",1,"3,9-Acridinediamine, 7-ethoxy-, monohydrate(1)","442-16-0(1)","1787","Medium Reliability","Differences in counterions"]
[1312,"Cn1c2c(n(CCOC(=O)c3cnccc3)cn2)c(=O)n(C)c1=O\n\n\n","O=C(c1cccnc1)OCCn1cnc2c1c(=O)n(C)c(=O)n2C","O=C(OCCn2cnc1c2(C(=O)N(C(=O)N1C)C))c3cnccc3","",1,"ETOFYLLINE NICOTINATE(1)","13425-39-3(1)","3975","High Reliability","-"]
[1313,"Cc1c(C)c(Nc2c(cccc2)C(O)=O)ccc1\nCc1cccc(Nc2ccccc2C(O)=O)c1C\n\n","OC(=O)c1ccccc1Nc1cccc(c1C)C","O=C(O)c2ccccc2(Nc1cccc(c1C)C)","",1,"MEFENAMIC ACID(1)","61-68-7(1)","200","High Reliability","-"]
[1314,"CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2\n\n\n","CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl","O=C(n1cncc1)N(CCOc2c(cc(cc2Cl)Cl)Cl)CCC","",1,"PROCHLORAZ(1)","67747-09-5(1)","5087","High Reliability","-"]
[1315,"CCC(Nc1ncnc(C)c1Cl)c2ccc(OC(F)F)cc2\n\n\n","CCC(c1ccc(cc1)OC(F)F)Nc1ncnc(c1Cl)C","FC(F)Oc1ccc(cc1)C(Nc2ncnc(c2Cl)C)CC","",1,"DIFLUMETORIM(1)","130339-07-0(1)","5676","High Reliability","Checked on PubChem, Checked on ChemID"]
[1316,"CSC(=O)c1c(nc(c(C(=O)SC)c1CC(C)C)C(F)(F)F)C(F)F\nCSC(=O)c1c(CC(C)C)c(C(=O)SC)c(nc1C(F)F)C(F)(F)F\n\n","CSC(=O)c1c(nc(c(c1CC(C)C)C(=O)SC)C(F)(F)F)C(F)F","O=C(c1c(nc(c(C(=O)SC)c1CC(C)C)C(F)(F)F)C(F)F)SC","",1,"Dithiopyr(1)","97886-45-8(1)","5411","Medium Reliability","-"]
[1317,"COc1ccc(cc1)C(O)(C2CC2)c3cncnc3\n\n\n","COc1ccc(cc1)C(c1cncnc1)(C1CC1)O","OC(c1cncnc1)(c2ccc(OC)cc2)C3CC3","",1,"ANCYMIDOL(1)","12771-68-5(1)","3945","Medium Reliability","-"]
[1318,"[Cl-].CN(C)c1ccc2nc3cc(C)c(N)cc3[s+]c2c1\n\n\n","CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C","n2c1ccc(cc1[s+]c3cc(N)c(cc23)C)N(C)C","",1,"Tolonium Chloride(1)","92-31-9(1)","684","High Reliability","-"]
[1319,"COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2\n\n\n","COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(n1)C","O=C(OC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)C)C","",1,"SULFOMETURON METHYL(1)","74222-97-2(1)","5193","High Reliability","-"]
[1320,"CC(C)(c1ccc(O)cc1)c2ccc(O)cc2\n\n\n","CC(c1ccc(cc1)O)(c1ccc(cc1)O)C","Oc1ccc(cc1)C(c2ccc(O)cc2)(C)C","",1,"DIPHENYLOLPROPANE(1)","80-05-7(1)","485","High Reliability","-"]
[1321,"COc1c(CC=C(C)C)c2c(ccc(=O)o2)cc1\nCOc1ccc2ccc(=O)oc2c1CC=C(C)C\n\n","COc1ccc2c(c1CC=C(C)C)oc(=O)cc2","O=C1Oc2c(C=C1)ccc(OC)c2CC=C(C)C","",1,"Osthole(1)","484-12-8(1)","1857","High Reliability","-"]
[1322,"CCCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N\n\n\n","CCCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N","N#Cc1cc(c(OC(=O)CCCCCCC)c(c1)Br)Br","",1,"BROMOXYNIL OCTANOATE(1)","1689-99-2(1)","2963","High Reliability","-"]
[1323,"CC(C)(C)C(O)C(=Cc1c(Cl)cc(Cl)cc1)n2cncn2\nCC(C)(C)C(O)C(=Cc1ccc(Cl)cc1Cl)n2cncn2\n\n","Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1","OC(C(=Cc1ccc(cc1Cl)Cl)n2ncnc2)C(C)(C)C","",1,"DINICONAZOLE(1)","83657-24-3(1)","5293","High Reliability","Stereochemistry removed"]
[1324,"CCCC1COC(Cn2cncn2)(O1)c3c(Cl)cc(Cl)cc3\nCCCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl\n\n","CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl","n1cnn(c1)CC2(OCC(O2)CCC)c3ccc(cc3Cl)Cl","",1,"PROPICONAZOLE(1)","60207-90-1(1)","4986","High Reliability","-"]
[1325,"CCCCC(Cn1cncn1)(C#N)c2ccc(Cl)cc2\n\n\n","CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N","N#CC(c1ccc(cc1)Cl)(Cn2ncnc2)CCCC","",1,"MYCLOBUTANIL(1)","88671-89-0(1)","5329","High Reliability","-"]
[1326,"C(Cc1ccccc1)NCc2ccccc2\n\n\n","c1ccc(cc1)CNCCc1ccccc1","c1ccc(cc1)CNCCc2ccccc2","",1,"Benzeneethanamine, N-(phenylmethyl)-(1)","3647-71-0(1)","3408","High Reliability","-"]
[1327,"CN(C)c1ccc(cc1)N=Nc2cc(C)ccc2\nCN(C)c1ccc(cc1)N=Nc2cccc(C)c2\n\n","Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C","N(=Nc1cccc(c1)C)c2ccc(cc2)N(C)C","",1,"4-DIMETHYLAMINO-3'-METHYLAZOBENZENE(1)","55-80-1(1)","86","High Reliability","-"]
[1328,"COc1ccc(NC(=N)Nc2ccc(OC)cc2)cc1\n\n\n","COc1ccc(cc1)NC(=N)Nc1ccc(cc1)OC","N=C(Nc1ccc(OC)cc1)Nc2ccc(OC)cc2","",1,"Guanidine, N,N'-bis(4-methoxyphenyl)-(1)","68339-75-3(1)","5109","Medium Reliability","-"]
[1329,"COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c2nc(OC)nc(C)n2\nCOC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c2nc(C)nc(OC)n2\n\n","COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C","O=C(OC)c1ccccc1S(=O)(=O)NC(=O)N(c2nc(nc(n2)C)OC)C","",1,"Tribenuron-methyl(1)","101200-48-0(1)","5458","High Reliability","-"]
[1330,"COC(=O)C1CCCN1C(=O)COC(=O)c2ccccc2\n\n\n","COC(=O)C1CCCN1C(=O)COC(=O)c1ccccc1","O=C(OCC(=O)N1CCCC1(C(=O)OC))c2ccccc2","",1,"L-PROLINE, N-[(BENZOYLOXY)ACETYL]-, METHYL ESTER(1)","115178-76-2(1)","5591","Medium Reliability","Stereochemistry removed"]
[1331,"CC(C)c1cc-2c(C)ccc2c(C)cc1\nCC(C)c1ccc(C)c-2ccc(C)c2c1\n\n","CC(c1ccc(c2c(c1)c(C)cc2)C)C","C1=CC(=C2C=C(C=CC(=C12)C)C(C)C)C","",1,"Azulene, 1,4-dimethyl-7-(1-methylethyl)-(1)","489-84-9(1)","1871","High Reliability","-"]
[1332,"CC(C)Oc1cc(-n2nc(oc2=O)C(C)(C)C)c(Cl)cc1Cl\n\n\n","CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C","O=C1OC(=NN1c2cc(OC(C)C)c(cc2Cl)Cl)C(C)(C)C","",1,"OXADIAZON(1)","19666-30-9(1)","4234","High Reliability","-"]
[1333,"CC(C1CC1)C(O)(Cn2cncn2)c3ccc(Cl)cc3\n\n\n","CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1","OC(c1ccc(cc1)Cl)(Cn2ncnc2)C(C)C3CC3","",2,"Cyproconazole(2)","94361-06-5(1), 94361-07-6(1)","5387, 5388","High Reliability","Stereochemistry removed"]
[1334,"CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n2cncn2\n\n\n","OC(C(C)(C)C)C(=Cc1ccc(cc1)Cl)n1ncnc1","OC(C(=Cc1ccc(cc1)Cl)n2ncnc2)C(C)(C)C","",2,"Uniconazole-P(1), Uniconazole(1)","83657-17-4(1), 83657-22-1(1)","5291, 5292","High Reliability","Stereochemistry removed"]
[1335,"CCC(C)c1cc(cc(c1OC(=O)C=C(C)C)[N+]([O-])=O)[N+]([O-])=O\n\n\n","CCC(c1cc(cc(c1OC(=O)C=C(C)C)[N+](=O)[O-])[N+](=O)[O-])C","O=C(Oc1c(cc(cc1C(C)CC)[N+](=O)[O-])[N+](=O)[O-])C=C(C)C","",1,"BINAPACRYL(1)","485-31-4(1)","1858","High Reliability","-"]
[1336,"CC(=NNc1nc(C)cc(C)n1)c2ccccc2C\n\n\n","Cc1cc(C)nc(n1)NN=C(c1ccccc1C)C","N(Nc1nc(cc(n1)C)C)=C(c2ccccc2C)C","",1,"Ferimzone(1)","89269-64-7(1)","5335","High Reliability","Stereochemistry removed"]
[1337,"CCOc1ccccc1OS(=O)(=O)NC(O)=Nc2nc(OC)cc(OC)n2\nCCOc1ccccc1OS(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2\n\n","CCOc1ccccc1OS(=O)(=O)NC(=Nc1nc(OC)cc(n1)OC)O","O=S(=O)(Oc1ccccc1(OCC))NC(O)=Nc2nc(OC)cc(n2)OC","",1,"Ethoxysulfuron(1)","126801-58-9(1)","5660","Medium Reliability","-"]
[1338,"CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC)n1\nCCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1\n\n","CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC","O=C(OC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(nc(n2)NC)OCC","",1,"ETHAMETSULFURON-METHYL(1)","97780-06-8(1)","5409","High Reliability","-"]
[1339,"CC1C2CCC3(C)C=CC(=O)C(C)=C3C2OC1=O\n\n\n","CC1C(=O)OC2C1CCC1(C2=C(C)C(=O)C=C1)C","O=C1C=CC2(C(=C1C)C3OC(=O)C(C)C3(CC2))(C)","",1,"SANTONIN(1)","481-06-1(1)","1851","High Reliability","Stereochemistry removed"]
[1340,"CC(=C)C1C2OC(=O)C1C3(O)C4OC4C5(CO5)C3(C)C2O\n\n\n","O=C1OC2C(C1C1(O)C3OC3C3(C1(C2O)C)CO3)C(=C)C","O=C4OC5C(O)C3(C)(C(O)(C1OC1C23(OC2))C4C5(C(=C)C))","",1,"Tutin(1)","2571-22-4(1)","3239","High Reliability","Stereochemistry removed"]
[1341,"CC(=C)C1C2OC(=O)C1C3(O)CC4OC45C(=O)OC2C35C.CC(C)(O)C1C2OC(=O)C1C3(O)CC4OC45C(=O)OC2C35C\n\n\n","O=C1OC2C(C1C1(O)CC3C4(C1(C2OC4=O)C)O3)C(O)(C)C","O=C1OC2C3OC(=O)C45(OC5(CC(O)(C1C2C(O)(C)C)C34(C)))","",1,"PICROTOXIN(1)","124-87-8(1)","1454","High Reliability","Organic counterion, Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1342,"[H]C12OC(=O)C([H])(C3(O)C4OC4C5(CO5)C3(C)C1O)C2(O)C(C)=C\nCC(=C)C1(O)C2OC(=O)C1C3(O)C4OC4C5(CO5)C3(C)C2O\n\n","O=C1OC2C(C1C1(O)C3OC3C3(C1(C2O)C)CO3)(O)C(=C)C","O=C4OC5C(O)C3(C)(C(O)(C1OC1C23(OC2))C4C5(O)(C(=C)C))","",1,"Hyenanchin(1)","3484-46-6(1)","3388","High Reliability","Stereochemistry removed"]
[1343,"OCC1OC(Oc2ccccc2C=CC(O)=O)C(O)C(O)C1O\n\n\n","OCC1OC(Oc2ccccc2C=CC(=O)O)C(C(C1O)O)O","O=C(O)C=Cc2ccccc2(OC1OC(CO)C(O)C(O)C1(O))","",1,"Melilotoside(1)","618-67-7(1)","2466","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1344,"CN(C)C(O)=Nc1cc(Cl)c(cc1)-n2nc(oc2=O)C(C)(C)C\nCN(C)C(=O)Nc1ccc(-n2nc(oc2=O)C(C)(C)C)c(Cl)c1\n\n","OC(=Nc1ccc(c(c1)Cl)n1nc(oc1=O)C(C)(C)C)N(C)C","O=C1OC(=NN1c2ccc(N=C(O)N(C)C)cc2Cl)C(C)(C)C","",1,"DIMEFURON(1)","34205-21-5(1)","4583","High Reliability","-"]
[1345,"CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(c1)C(O)=O\n\n\n","CCc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C","O=C(O)c2cc(cnc2(C1=NC(C(=O)N1)(C)C(C)C))CC","",1,"Imazethapyr(1)","81335-77-5(1)","5263","High Reliability","-"]
[1346,"COCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(c1)C(O)=O\n\n\n","COCc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C","O=C(O)c2cc(cnc2(C1=NC(C(=O)N1)(C)C(C)C))COC","",1,"Imazamox(1)","114311-32-9(1)","5579","High Reliability","-"]
[1347,"COCCOc1ccccc1S(=O)(=O)N=C(O)N=c2nc([nH]c(OC)n2)OC\nCOCCOc1ccccc1S(=O)(=O)NC(=O)Nc2nc(OC)nc(OC)n2\n\n","COCCOc1ccccc1S(=O)(=O)N=C(N=c1nc(OC)[nH]c(n1)OC)O","O=S(=O)(N=C(O)N=C1N=C(OC)NC(=N1)OC)c2ccccc2(OCCOC)","",1,"CINOSULFURON(1)","94593-91-6(1)","5390","High Reliability","-"]
[1348,"CN1C2CCC1CC(C2)OC(=O)c3ccccc3\n\n\n","CN1C2CCC1CC(C2)OC(=O)c1ccccc1","O=C(OC2CC1N(C)C(CC1)C2)c3ccccc3","",1,"TROPACOCAINE(1)","537-26-8(1)","2045","High Reliability","Checked on PubChem, Checked on ChemID"]
[1349,"CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n2cncn2\nCC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n2cncn2.CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n2cncn2\n\n","OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl","OC(C(n1ncnc1)Cc2ccc(cc2)Cl)C(C)(C)C","",1,"PACLOBUTRAZOL(1)","76738-62-0(1)","5232","High Reliability","Differences in counterions, Stereochemistry removed"]
[1350,"CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2\n\n\n","O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1","O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)C(=O)C","",1,"DIMELIN(1)","968-81-0(1)","2782","High Reliability","-"]
[1351,"CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl\n\n\n","CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C","O=C(OC(C)CCCCCC)COc1nc(F)c(c(N)c1Cl)Cl","",1,"Fluroxypyr-meptyl(1)","81406-37-3(1)","5265","High Reliability","-"]
[1352,"CC1CC(CC(C)(C)N1)OC(=O)c2ccccc2\n\n\n","CC1CC(OC(=O)c2ccccc2)CC(N1)(C)C","O=C(OC1CC(NC(C)(C)C1)C)c2ccccc2","",1,"BETA-EUCAINE(1)","500-34-5(1)","1912","High Reliability","Stereochemistry removed"]
[1353,"CCOC(=O)C1(CCN(C)CC1)c2ccccc2\n[H+].[Cl-].CCOC(=O)C1(CCN(C)CC1)c2ccccc2\n\n","CCOC(=O)C1(CCN(CC1)C)c1ccccc1","O=C(OCC)C2(c1ccccc1)(CCN(C)CC2)","",2,"MEPERIDINE(1), DEMEROL(1)","50-13-5(1), 57-42-1(1)","7, 125","Medium Reliability, High Reliability","Differences in counterions"]
[1354,"CCCN(CCC)C(=O)COC(=O)c1ccccc1\n\n\n","CCCN(C(=O)COC(=O)c1ccccc1)CCC","O=C(OCC(=O)N(CCC)CCC)c1ccccc1","",1,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-DIPROPYL-(1)","106231-55-4(1)","5507","Medium Reliability","-"]
[1355,"COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C\n\n\n","COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C","O=C(OC)C(N(C(=O)COC)c1c(cccc1C)C)C","",2,"METALAXYL(1), Metalaxyl-M(1)","57837-19-1(1), 70630-17-0(1)","4950, 5146","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1356,"CC(C)(SC(=O)N1CCCCC1)c2ccccc2\n\n\n","O=C(N1CCCCC1)SC(c1ccccc1)(C)C","O=C(N1CCCCC1)SC(c2ccccc2)(C)C","",1,"Dimepiperate(1)","61432-55-1(1)","5006","High Reliability","-"]
[1357,"CC(C)(C)C(Br)C(O)=NC(C)(C)c1ccccc1\nCC(C)(C)C(Br)C(=O)NC(C)(C)c1ccccc1\n\n","BrC(C(C)(C)C)C(=NC(c1ccccc1)(C)C)O","OC(=NC(c1ccccc1)(C)C)C(C(C)(C)C)Br","",1,"BROMOBUTIDE(1)","74712-19-9(1)","5212","High Reliability","-"]
[1358,"CCc1c(N(C(C)COC)C(=O)CCl)c(C)ccc1\nCCc1cccc(C)c1N(C(C)COC)C(=O)CCl\n\n","COCC(N(c1c(C)cccc1CC)C(=O)CCl)C","O=C(N(c1c(cccc1CC)C)C(C)COC)CCl","",1,"METOLACHLOR(1)","51218-45-2(1)","4804","High Reliability","-"]
[1359,"CCc1cccc(C)c1N(COC(C)C)C(=O)CCl\n\n\n","ClCC(=O)N(c1c(C)cccc1CC)COC(C)C","O=C(N(c1c(cccc1CC)C)COC(C)C)CCl","",1,"Propisochlor(1)","86763-47-5(1)","5313","High Reliability","-"]
[1360,"CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C\n\n\n","CCCn1cnc2c1c(=O)n(CCCCC(=O)C)c(=O)n2C","O=C2c1c(ncn1CCC)N(C(=O)N2CCCCC(=O)C)C","",1,"Propentofylline(1)","55242-55-2(1)","4903","High Reliability","-"]
[1361,"CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1\n\n\n","CCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O","O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1","",1,"OCTYL GALLATE(1)","1034-01-1(1)","2805","High Reliability","-"]
[1362,"OCC1OC(OC2OC=CC3C(O)C=C(CO)C23)C(O)C(O)C1O\n\n\n","OCC1=CC(C2C1C(OC=C2)OC1OC(CO)C(C(C1O)O)O)O","OCC2=CC(O)C3C=COC(OC1OC(CO)C(O)C(O)C1(O))C23","",1,"Aucubin(1)","479-98-1(1)","1846","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1363,"CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)C(C)C)[N+]([O-])=O\n\n\n","CCCN(c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-])CCC","O=[N+]([O-])c1cc(cc(c1N(CCC)CCC)[N+](=O)[O-])C(C)C","",1,"ISOPROPALIN(1)","33820-53-0(1)","4572","High Reliability","-"]
[1364,"CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C\n\n\n","CC(N(C(=O)C(C)(C)C)Cc1ccccc1)C","O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C","",1,"Tebutam(1)","35256-85-0(1)","4609","High Reliability","-"]
[1365,"CCCCCCCCOC(=O)c1ccc(N)cc1\n\n\n","CCCCCCCCOC(=O)c1ccc(cc1)N","O=C(OCCCCCCCC)c1ccc(N)cc1","",1,"BENZOIC ACID, 4-AMINO-, OCTYL ESTER(1)","14309-41-2(1)","4028","High Reliability","-"]
[1366,"CCCCCCCCCOC(=O)c1cnccc1\n\n\n","CCCCCCCCCOC(=O)c1cccnc1","O=C(OCCCCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxylic acid, nonyl ester(1)","98841-58-8(1)","5429","Medium Reliability","-"]
[1367,"CCOc1ccc(cc1)C(=O)OCCN(CC)CC\n\n\n","CCOc1ccc(cc1)C(=O)OCCN(CC)CC","O=C(OCCN(CC)CC)c1ccc(OCC)cc1","",1,"Parethoxycaine(1)","94-23-5(1)","723","High Reliability","-"]
[1368,"CC1CC(C)C(=O)C(C1)C(O)CC2CC(=O)NC(=O)C2\n\n\n","CC1CC(C)C(=O)C(C1)C(CC1CC(=O)NC(=O)C1)O","O=C1NC(=O)CC(C1)CC(O)C2C(=O)C(C)CC(C)C2","",1,"CYCLOHEXIMIDE(1)","66-81-9(1)","246","High Reliability","Stereochemistry removed"]
[1369,"CCN(C(C)C(C)C)C(=O)SCc1ccccc1\n\n\n","CCN(C(C(C)C)C)C(=O)SCc1ccccc1","O=C(N(CC)C(C)C(C)C)SCc1ccccc1","",1,"ESPROCARB(1)","85785-20-2(1)","5309","High Reliability","-"]
[1370,"CCCCCCCCCN=C(O)c1cnccc1\nCCCCCCCCCNC(=O)c1cccnc1\n\n","CCCCCCCCCN=C(c1cccnc1)O","OC(=NCCCCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxamide, N-nonyl-(1)","81475-35-6(1)","5267","Medium Reliability","-"]
[1371,"CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C\n\n\n","CCOP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C","O=C(OC(C)C)c1ccccc1(OP(OCC)(NC(C)C)=S)","",1,"ISOFENPHOS(1)","25311-71-1(1)","4387","High Reliability","-"]
[1372,"Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C\n\n\n","Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C","Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C","",1,"2,6-DI-T-BUTYL-4-METHYLPHENOL (BHT)(1)","128-37-0(1)","1486","Medium Reliability","-"]
[1373,"CCCCCCCCCc1ccc(O)cc1\n\n\n","CCCCCCCCCc1ccc(cc1)O","Oc1ccc(cc1)CCCCCCCCC","",1,"P-NONYLPHENOL(1)","104-40-5(1)","952","Medium Reliability","-"]
[1374,"COCCc1ccc(OCC(O)CNC(C)C)cc1\n\n\n","COCCc1ccc(cc1)OCC(CNC(C)C)O","OC(COc1ccc(cc1)CCOC)CNC(C)C","",1,"METOPROLOL(1)","37350-58-6(1)","4643","High Reliability","-"]
[1375,"OS(O)(=O)=O.C1CCN2CC3CC(CN4CCCCC34)C2C1\n\n\n","C1CCC2N(C1)CC1CC2CN2C1CCCC2","N13(CCCCC1C4CN2CCCCC2C(C3)C4)","",1,"SPARTEINE SULFATE(1)","299-39-8(1)","1696","High Reliability","Checked on PubChem, Checked on ChemID"]
[1376,"OC1=NCCCCCCCCCCCCCC1\nO=C1CCCCCCCCCCCCCCN1\n\n","OC1=NCCCCCCCCCCCCCC1","OC1=NCCCCCCCCCCCCCC1","",1,"Azacyclohexadecan-2-one(1)","50768-64-4(1)","4788","Medium Reliability","-"]
[1377,"CCCCCCCCCCCCCCC\n\n\n","CCCCCCCCCCCCCCC","CCCCCCCCCCCCCCC","",1,"N-PENTADECANE(1)","629-62-9(1)","2568","High Reliability","-"]
[1378,"CCCCCCCCCCCCCCCO\n\n\n","CCCCCCCCCCCCCCCO","OCCCCCCCCCCCCCCC","",1,"1-PENTADECANOL(1)","629-76-5(1)","2569","High Reliability","-"]
[1379,"CCCCCN(CCCCC)CCCCC\n\n\n","CCCCCN(CCCCC)CCCCC","N(CCCCC)(CCCCC)CCCCC","",1,"1-Pentanamine, N,N-dipentyl-(1)","621-77-2(1)","2482","High Reliability","-"]
[1380,"FC(F)(F)c1nc2c(cc(Cl)c(Cl)c2)n1C(=O)Oc3ccccc3\nFC(F)(F)c1nc2cc(Cl)c(Cl)cc2n1C(=O)Oc3ccccc3\n\n","Clc1cc2nc(n(c2cc1Cl)C(=O)Oc1ccccc1)C(F)(F)F","O=C(Oc1ccccc1)n3c(nc2cc(c(cc23)Cl)Cl)C(F)(F)F","",1,"Fenazaflor(1)","14255-88-0(1)","4022","High Reliability","-"]
[1381,"Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1\n\n\n","Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl","Fc3ccc(Oc2ccnc1cc(cc(c12)Cl)Cl)cc3","",1,"Quinoline, 5,7-dichloro-4-(4-fluorophenoxy)-(1)","124495-18-7(1)","5653","High Reliability","-"]
[1382,"c1cc-2c(cc1)-c3c4c2cccc4ccc3\nc1ccc-2c(c1)-c3cccc4cccc2c34\n\n","c1ccc2c(c1)c1cccc3c1c2ccc3","c1ccc2c(c1)c4cccc3cccc2c34","",1,"FLUORANTHENE(1)","206-44-0(1)","1652","High Reliability","-"]
[1383,"c1cc2c3c(ccc4cccc(cc2)c34)c1\nc1cc2ccc3cccc4ccc(c1)c2c34\n\n","c1cc2ccc3c4c2c(c1)ccc4ccc3","c1cc2ccc3cccc4ccc(c1)c2c34","",1,"PYRENE(1)","129-00-0(1)","1489","High Reliability","-"]
[1384,"OC(=O)c1c2ccccc2nc(c1)-c3ccccc3\nOC(=O)c1cc(nc2ccccc12)-c3ccccc3\n\n","OC(=O)c1cc(nc2c1cccc2)c1ccccc1","O=C(O)c2cc(nc1ccccc12)c3ccccc3","",1,"2-PHENYLCINCHONINIC ACID(1)","132-60-5(1)","1504","Medium Reliability","-"]
[1385,"N1c2ccccc2Sc3c1ccc4ccccc34\n\n\n","c1ccc2c(c1)Nc1c(S2)c2ccccc2cc1","c1ccc4c(c1)ccc3Nc2ccccc2Sc34","",1,"7H-Benzo[c]phenothiazine(1)","226-06-2(1)","1663","High Reliability","-"]
[1386,"CCN(Cc1c(Cl)cccc1F)c2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O\n\n\n","CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])Cc1c(F)cccc1Cl","O=[N+]([O-])c1cc(cc(c1N(Cc2c(F)cccc2Cl)CC)[N+](=O)[O-])C(F)(F)F","",1,"FLUMETRALIN(1)","62924-70-3(1)","5020","High Reliability","-"]
[1387,"CC(Oc1ccc(Oc2nc3c(o2)cc(Cl)cc3)cc1)C(O)=O\nCC(Oc1ccc(Oc2oc3cc(Cl)ccc3n2)cc1)C(O)=O\n\n","OC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C","O=C(O)C(Oc3ccc(Oc1nc2ccc(cc2(o1))Cl)cc3)C","",1,"FENOXAPROP-P(1)","113158-40-0(1)","5574","High Reliability","Stereochemistry removed"]
[1388,"Oc1c(N=Nc2ccc(cc2)S(O)(=O)=O)c3ccccc3cc1\nOS(=O)(=O)c1ccc(NN=C2C(=O)C=Cc3ccccc23)cc1\n\n","O=C1C=Cc2c(C1=NNc1ccc(cc1)S(=O)(=O)O)cccc2","O=C3C=Cc1ccccc1C3(=NNc2ccc(cc2)S(=O)(=O)O)","",1,"C.I. ACID ORANGE 7 (FREE ACID) (7CI)(1)","573-89-7(1)","2207","Medium Reliability","Stereochemistry removed"]
[1389,"OC(=O)c1ccccc1CC(=O)c2ccccc2C(O)=O\n\n\n","OC(=O)c1ccccc1CC(=O)c1ccccc1C(=O)O","O=C(O)c2ccccc2(C(=O)Cc1ccccc1(C(=O)O))","",1,"Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis-(1)","4281-16-7(1)","3477","High Reliability","-"]
[1390,"OC1=CC2=C3c4c(OCC3(O)CC2=CC1=O)c(O)c(O)cc4\nOc1ccc2c(OCC3(O)CC4=CC(=O)C(=CC4=C23)O)c1O\n\n","O=C1C=C2CC3(C(=C2C=C1O)c1ccc(c(c1OC3)O)O)O","O=C1C=C3C(C=C1(O))=C2c4ccc(O)c(O)c4(OCC2(O)C3)","",1,"Hematein(1)","475-25-2(1)","1837","High Reliability","-"]
[1391,"OC(=O)C(c1ccccc1C(O)=O)c2ccccc2C(O)=O\n\n\n","OC(=O)C(c1ccccc1C(=O)O)c1ccccc1C(=O)O","O=C(O)c1ccccc1C(C(=O)O)c2ccccc2(C(=O)O)","",1,"Acetic acid, bis(2-carboxyphenyl)-(1)","22589-07-7(1)","4321","Medium Reliability","-"]
[1392,"COC(=O)C(C)Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1\n\n\n","COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C","O=C(OC)C(Oc2ccc(Oc1ncc(cc1Cl)C(F)(F)F)cc2)C","",1,"HALOXYFOP-METHYL(1)","69806-40-2(1)","5130","High Reliability","-"]
[1393,"CC(N(C(=O)c1ccccc1)c2cc(Cl)c(F)cc2)C(O)=O\nCC(N(c1ccc(F)c(Cl)c1)C(=O)c2ccccc2)C(O)=O\n\n","OC(=O)C(N(C(=O)c1ccccc1)c1ccc(c(c1)Cl)F)C","O=C(O)C(N(C(=O)c1ccccc1)c2ccc(F)c(c2)Cl)C","",1,"FLAMPROP(1)","58667-63-3(1)","4961","High Reliability","-"]
[1394,"CN1c2c(cc(Cl)cc2)C(=NCC1=O)c3ccccc3\nCN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13\n\n","Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1","O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))Cl)C","",1,"DIAZEPAM(1)","439-14-5(1)","1785","High Reliability","-"]
[1395,"OC(Cn1cncn1)(c2ccc(F)cc2)c3c(F)cccc3\nOC(Cn1cncn1)(c2ccc(F)cc2)c3ccccc3F\n\n","Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O","Fc1ccc(cc1)C(O)(c2ccccc2(F))Cn3ncnc3","",1,"FLUTRIAFOL (PP450)(1)","76674-21-0(1)","5231","Medium Reliability","-"]
[1396,"N(c1ccccc1)c2c3ccccc3ccc2\nN(c1ccccc1)c2cccc3ccccc23\n\n","c1ccc(cc1)Nc1cccc2c1cccc2","c1ccc(cc1)Nc3cccc2ccccc23","",1,"1-NAPHTHALENAMINE, N-PHENYL-(1)","90-30-2(1)","654","High Reliability","-"]
[1397,"Nc1ccc2ccccc2c1N=Nc3ccccc3\n\n\n","Nc1ccc2c(c1N=Nc1ccccc1)cccc2","N(=Nc1c(N)ccc2ccccc12)c3ccccc3","",1,"2-Naphthalenamine, 1-(phenylazo)-(1)","85-84-7(1)","566","Medium Reliability","-"]
[1398,"COc1cc(N=C(O)c2cnccc2)c3ncccc3c1\nCOc1cc(NC(=O)c2cccnc2)c3ncccc3c1\n\n","COc1cc2cccnc2c(c1)N=C(c1cccnc1)O","OC(=Nc1cc(OC)cc2cccnc12)c3cnccc3","",1,"Nicotinamide, N-(6-methoxy-8-quinolyl)-(1)","19275-71-9(1)","4221","Medium Reliability","-"]
[1399,"COC(=O)Nc1nc2c([nH]1)ccc(c2)C(=O)c3ccccc3\nCOC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3\n\n","COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1","O=C(OC)Nc1nc2cc(ccc2([nH]1))C(=O)c3ccccc3","",1,"MEBENDAZOLE(1)","31431-39-7(1)","4525","High Reliability","-"]
[1400,"Cc1c2ccccc2c(C)c3ccccc13\n\n\n","Cc1c2ccccc2c(c2c1cccc2)C","c1ccc3c(c1)c(c2ccccc2c3C)C","",1,"9,10-DIMETHYLANTHRACENE(1)","781-43-1(1)","2688","High Reliability","-"]
[1401,"CCc1cc2cc3ccccc3cc2cc1\nCCc1ccc2cc3ccccc3cc2c1\n\n","CCc1ccc2c(c1)cc1c(c2)cccc1","c1ccc2cc3cc(ccc3(cc2(c1)))CC","",1,"2-ETHYLANTHRACENE(1)","52251-71-5(1)","4830","High Reliability","-"]
[1402,"CCOC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2\n\n\n","CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O","O=C(OCC)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl","",1,"CHLOROBENZILATE(1)","510-15-6(1)","1948","High Reliability","-"]
[1403,"COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1\n\n\n","COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C","O=C(OC)C(Oc2ccc(Oc1ccc(cc1Cl)Cl)cc2)C","",1,"DICLOFOP-METHYL(1)","51338-27-3(1)","4810","High Reliability","-"]
[1404,"Cl.CNC1=Nc2ccc(Cl)cc2C(c3ccccc3)=N(=O)C1\nCNC1=Nc2c(cc(Cl)cc2)C(c3ccccc3)=N(=O)C1\n[H+].[Cl-].CN=C1CN(O)C(=c2cc(Cl)ccc2=N1)c3ccccc3\nCN=C1CN(O)C(=c2cc(Cl)ccc2=N1)c3ccccc3","CNC1=Nc2ccc(cc2C(=[N+](C1)[O-])c1ccccc1)Cl","[O-][N+]2=C(c1ccccc1)c3cc(ccc3(N=C(NC)C2))Cl","",1,"LIBRIUM(1)","58-25-3(1)","148","High Reliability","Differences in counterions"]
[1405,"CN(C(=O)COc1nc2ccccc2s1)c3ccccc3\n\n\n","O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2","O=C(N(c1ccccc1)C)COc3nc2ccccc2s3","",1,"MEFENACET(1)","73250-68-7(1)","5181","High Reliability","-"]
[1406,"CC(C(O)=O)c1cc(ccc1)C(=O)c2ccccc2\nCC(C(O)=O)c1cccc(c1)C(=O)c2ccccc2\n\n","OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C","O=C(O)C(c1cccc(c1)C(=O)c2ccccc2)C","",1,"KETOPROFEN(1)","22071-15-4(1)","4308","High Reliability","-"]
[1407,"CCOC(=O)c1ccccc1C(=O)c2ccccc2\n\n\n","CCOC(=O)c1ccccc1C(=O)c1ccccc1","O=C(OCC)c2ccccc2(C(=O)c1ccccc1)","",1,"Benzoic acid, 2-benzoyl-, ethyl ester(1)","604-61-5(1)","2377","High Reliability","-"]
[1408,"OC(=O)CCC(=O)c1ccc(cc1)-c2ccccc2\n\n\n","O=C(c1ccc(cc1)c1ccccc1)CCC(=O)O","O=C(O)CCC(=O)c1ccc(cc1)c2ccccc2","",1,"FENBUFEN(1)","36330-85-5(1)","4626","High Reliability","-"]
[1409,"OC(=O)CC(C(O)=O)(c1ccccc1)c2ccccc2\n\n\n","OC(=O)C(c1ccccc1)(c1ccccc1)CC(=O)O","O=C(O)CC(C(=O)O)(c1ccccc1)c2ccccc2","",1,"Butanedioic acid, 2,2-diphenyl-(1)","10186-26-2(1)","3905","Medium Reliability","-"]
[1410,"CC(Oc1c(Cl)c(C)c(Cl)cc1)C(O)=Nc2ccccc2\nCC(Oc1ccc(Cl)c(C)c1Cl)C(=O)Nc2ccccc2\n\n","OC(=Nc1ccccc1)C(Oc1ccc(c(c1Cl)C)Cl)C","OC(=Nc1ccccc1)C(Oc2ccc(c(c2Cl)C)Cl)C","",1,"CLOMEPROP(1)","84496-56-0(1)","5300","High Reliability","-"]
[1411,"CCOCOc1ccc(cc1)C(=O)Nc2cccc(Cl)c2Cl\n\n\n","CCOCOc1ccc(cc1)C(=O)Nc1cccc(c1Cl)Cl","O=C(Nc1cccc(c1Cl)Cl)c2ccc(OCOCC)cc2","",1,"Etobenzanid(1)","79540-50-4(1)","5255","High Reliability","Checked on PubChem, Checked on ChemID"]
[1412,"COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl\n\n\n","COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC","O(c1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)C","",1,"METHOXYCHLOR(1)","72-43-5(1)","294","Medium Reliability","-"]
[1413,"C1Cc2ccc3CCCc4c3c2c(C1)cc4\nC1Cc2ccc3CCCc4ccc(C1)c2c34\n\n","C1Cc2ccc3c4c2c(C1)ccc4CCC3","c1cc3c2c4c1CCCc4(ccc2CCC3)","",1,"1,2,3,6,7,8-Hexahydropyrene(1)","1732-13-4(1)","2975","High Reliability","-"]
[1414,"CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)S(N)(=O)=O\n\n\n","CC1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(=O)(=O)N","O=C1c3cc(c(cc3(NC(N1c2ccccc2C)C))Cl)S(=O)(=O)N","",1,"Metolazone(1)","17560-51-9(1)","4158","High Reliability","-"]
[1415,"Cc1cnc2c(ccc3c(C)c(C)cnc23)c1C\n\n\n","Cc1c(C)cnc2c1ccc1c2ncc(c1C)C","n2cc(c(c3ccc1c(ncc(c1C)C)c23)C)C","",1,"1,10-Phenanthroline, 3,4,7,8-tetramethyl-(1)","1660-93-1(1)","2955","High Reliability","-"]
[1416,"COC(=O)Nc1cc(OC(=O)Nc2cccc(C)c2)ccc1\nCOC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1\n\n","COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C","O=C(Oc1cccc(c1)NC(=O)OC)Nc2cccc(c2)C","",1,"PHENMEDIPHAM(1)","13684-63-4(1)","3997","High Reliability","-"]
[1417,"CCOC(=O)Nc1cc(OC(=O)Nc2ccccc2)ccc1\nCCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1\n\n","CCOC(=O)Nc1cccc(c1)OC(=O)Nc1ccccc1","O=C(Oc1cccc(c1)NC(=O)OCC)Nc2ccccc2","",1,"DESMEDIPHAM(1)","13684-56-5(1)","3996","High Reliability","-"]
[1418,"COc1c(C)cc(cc1)C(=O)c2cccc(C)c2\n\n\n","COc1ccc(cc1C)C(=O)c1cccc(c1)C","O=C(c1cccc(c1)C)c2ccc(OC)c(c2)C","",1,"4-Methoxy-3,3'-dimethylbenzophenone(1)","41295-28-7(1)","4741","High Reliability","-"]
[1419,"COC(=O)c1c(CC(C)C)c(C2=NCCS2)c(nc1C(F)F)C(F)(F)F\n\n\n","COC(=O)c1c(nc(c(c1CC(C)C)C1=NCCS1)C(F)(F)F)C(F)F","O=C(OC)c2c(nc(c(C1=NCCS1)c2CC(C)C)C(F)(F)F)C(F)F","",1,"Thiazopyr(1)","117718-60-2(1)","5616","High Reliability","-"]
[1420,"CN(C)C(=O)C(c1ccccc1)c2ccccc2\n\n\n","CN(C(=O)C(c1ccccc1)c1ccccc1)C","O=C(N(C)C)C(c1ccccc1)c2ccccc2","",1,"DIPHENAMID(1)","957-51-7(1)","2775","High Reliability","-"]
[1421,"CCOC(=O)C1=NN(c2c(Cl)cc(Cl)cc2)C(C)(C1)C(=O)OCC\nCCOC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(C)(C1)C(=O)OCC\n\n","CCOC(=O)C1(C)CC(=NN1c1ccc(cc1Cl)Cl)C(=O)OCC","O=C(OCC)C2=NN(c1ccc(cc1Cl)Cl)C(C(=O)OCC)(C)C2","",1,"Mefenpyr-diethyl(1)","135590-91-9(1)","5685","Medium Reliability","-"]
[1422,"COc1c(CN(C(=O)CCl)c2c(C)cccc2C)scc1\n\n\n","ClCC(=O)N(c1c(C)cccc1C)Cc1sccc1OC","O=C(N(c1c(cccc1C)C)Cc2c(OC)ccs2)CCl","",1,"Thenylchlor(1)","96491-05-3(1)","5404","High Reliability","-"]
[1423,"COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1\n\n\n","COc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C","O=C(Nc2ccc(Oc1ccc(OC)cc1)cc2)N(C)C","",1,"DIFENOXURON(1)","14214-32-5(1)","4020","High Reliability","-"]
[1424,"[Cl-].CN(C)c1cc2[s+]c3c(ccc(c3)N(C)C)nc2cc1\n[Cl-].CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C\n\n","CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C","n2c1ccc(cc1[s+]c3cc(ccc23)N(C)C)N(C)C","",1,"METHYLENE BLUE(1)","61-73-4(1)","201","High Reliability","-"]
[1425,"CCS(=O)(=O)c1c(n2ccccc2n1)S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3\n\n\n","COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC","O=C(Nc1nc(OC)cc(n1)OC)NS(=O)(=O)c3c(nc2ccccn23)S(=O)(=O)CC","",1,"SULFOSULFURON(1)","141776-32-1(1)","5711","High Reliability","-"]
[1426,"O=P(Oc1ccccc1)(Oc2ccccc2)N3CCOCC3\n\n\n","O=P(N1CCOCC1)(Oc1ccccc1)Oc1ccccc1","O=P(Oc1ccccc1)(Oc2ccccc2)N3CCOCC3","",1,"Phosphonic acid, 4-morpholinyl-, diphenyl ester(1)","7412-25-1(1)","3839","Medium Reliability","-"]
[1427,"OC1CC(O)(CC(OC(=O)C=Cc2cc(O)c(O)cc2)C1O)C(O)=O\nOC1CC(O)(CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O)C(O)=O\n\n","O=C(OC1CC(O)(CC(C1O)O)C(=O)O)C=Cc1ccc(c(c1)O)O","O=C(OC1CC(O)(C(=O)O)CC(O)C1(O))C=Cc2ccc(O)c(O)c2","",1,"Chlorogenic Acid(1)","327-97-9(1)","1734","High Reliability","Stereochemistry removed"]
[1428,"CN(C)CCC(c1ccc(Cl)cc1)c2ncccc2\nCN(C)CCC(c1ccc(Cl)cc1)c2ccccn2.OC(=O)C=CC(O)=O\n\n","CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C","n1ccccc1C(c2ccc(cc2)Cl)CCN(C)C","",1,"CHLORPHENIRAMINE(1)","132-22-9(1)","1502","High Reliability","Differences in counterions, Stereochemistry removed"]
[1429,"CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(O)=O\n\n\n","NC(c1ccccc1)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C","O=C(O)C3N2C(=O)C(NC(=O)C(N)c1ccccc1)C2SC3(C)(C)","",1,"AMPICILLIN(1)","69-53-4(1)","267","High Reliability","Stereochemistry removed"]
[1430,"CC1=C(N2C(SC1)C(NC(=O)C(N)C3=CCC=CC3)C2=O)C(O)=O\nO.O.CC1=C(N2C(SC1)C(NC(=O)C(N)C3=CCC=CC3)C2=O)C(O)=O\n\n","O=C(C(C1=CCC=CC1)N)NC1C(=O)N2C1SCC(=C2C(=O)O)C","O=C(O)C3=C(C)CSC2N3(C(=O)C2(NC(=O)C(N)C1=CCC=CC1))","",1,"Cephradine(1)","38821-53-3(1)","4698","High Reliability","Differences in counterions, Stereochemistry removed"]
[1431,"CCN(C1CCCCC1)C(=O)n2nnn(c2=O)-c3ccccc3Cl\n\n\n","CCN(C(=O)n1nnn(c1=O)c1ccccc1Cl)C1CCCCC1","O=C1N(N=NN1c2ccccc2Cl)C(=O)N(CC)C3CCCCC3","",1,"FENTRAZAMIDE(1)","158237-07-1(1)","5733","High Reliability","-"]
[1432,"C(CNCc1ccccc1)NCc2ccccc2\n\n\n","N(Cc1ccccc1)CCNCc1ccccc1","c1ccc(cc1)CNCCNCc2ccccc2","",1,"1,2-Ethanediamine, N,N'-bis(phenylmethyl)-(1)","140-28-3(1)","1554","High Reliability","-"]
[1433,"CCCC1C(=O)N2N(C1=O)c3cc(C)ccc3N=C2N(C)C\n\n\n","CCCC1C(=O)n2n(C1=O)c1cc(C)ccc1nc2N(C)C","O=C2N3C(=Nc1ccc(cc1N3(C(=O)C2CCC))C)N(C)C","",1,"Apazone(1)","13539-59-8(1)","3985","High Reliability","-"]
[1434,"CC(C)(O)CC(C)(O)c1cccc2ccccc12\n\n\n","CC(CC(c1cccc2c1cccc2)(O)C)(O)C","OC(c2cccc1ccccc12)(C)CC(O)(C)C","",1,"2,4-Pentanediol, 2-methyl-4-(1-naphthalenyl)-(1)","38836-20-3(1)","4699","Medium Reliability","-"]
[1435,"COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1\n\n\n","COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC","O(c1ccc(cc1)Sc2ccc(OP(OC)(OC)=S)cc2)P(OC)(OC)=S","",1,"TEMEPHOS(1)","3383-96-8(1)","3374","Medium Reliability","-"]
[1436,"CC1CCCCN1CCCOC(=O)c2cc(Cl)c(Cl)cc2\nCC1CCCCN1CCCOC(=O)c2ccc(Cl)c(Cl)c2\n\n","CC1CCCCN1CCCOC(=O)c1ccc(c(c1)Cl)Cl","O=C(OCCCN1CCCCC1C)c2ccc(c(c2)Cl)Cl","",1,"PIPERALIN(1)","3478-94-2(1)","3387","High Reliability","-"]
[1437,"CN(C)CCN(Cc1ccccc1)c2ncccc2\n[H+].[Cl-].CN(C)CCN(Cc1ccccc1)c2ccccn2\n\n","CN(CCN(c1ccccn1)Cc1ccccc1)C","n1ccccc1N(Cc2ccccc2)CCN(C)C","",1,"Tripelennamine(1)","91-81-6(1)","679","High Reliability","Differences in counterions"]
[1438,"CC(C)NCC(O)COc1c2ccccc2ccc1\nCC(C)NCC(O)COc1cccc2ccccc12\n\n","OC(COc1cccc2c1cccc2)CNC(C)C","OC(COc1cccc2ccccc12)CNC(C)C","",1,"PROPRANOLOL(1)","525-66-6(1)","1988","High Reliability","-"]
[1439,"CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3\n\n\n","OC(c1ccccc1)C(=O)OC1CC2CCC(C1)N2C","O=C(OC2CC1N(C)C(CC1)C2)C(O)c3ccccc3","",1,"HOMATROPIN(1)","87-00-3(1)","581","High Reliability","Stereochemistry removed"]
[1440,"CCCCCCCCOC(=O)COc1c(Cl)cc(Cl)cc1\nCCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl\n\n","CCCCCCCCOC(=O)COc1ccc(cc1Cl)Cl","O=C(OCCCCCCCC)COc1ccc(cc1Cl)Cl","",1,"2,4-D, OCTYL ESTER(1)","1928-44-5(1)","3034","Medium Reliability","-"]
[1441,"CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn2cncn2\n\n\n","Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O","OC(Cn1ncnc1)(CCc2ccc(cc2)Cl)C(C)(C)C","",1,"TEBUCONAZOLE(1)","107534-96-3(1)","5532","High Reliability","-"]
[1442,"CCOC(=O)CN(C(=O)CCl)c1c(CC)cccc1CC\n\n\n","CCOC(=O)CN(c1c(CC)cccc1CC)C(=O)CCl","O=C(OCC)CN(C(=O)CCl)c1c(cccc1CC)CC","",1,"ANTOR(1)","38727-55-8(1)","4693","High Reliability","-"]
[1443,"CNC(=O)Oc1cc(C)c(N(CC=C)CC=C)c(C)c1\n\n\n","C=CCN(c1c(C)cc(cc1C)OC(=O)NC)CC=C","O=C(Oc1cc(c(c(c1)C)N(CC=C)CC=C)C)NC","",1,"Allyxycarb [BSI:ISO](1)","6392-46-7(1)","3751","Medium Reliability","-"]
[1444,"CCN(CC)C(=O)n1cnc(n1)S(=O)(=O)c2c(C)cc(C)cc2C\n\n\n","CCN(C(=O)n1cnc(n1)S(=O)(=O)c1c(C)cc(cc1C)C)CC","O=C(n1nc(nc1)S(=O)(=O)c2c(cc(cc2C)C)C)N(CC)CC","",1,"Cafenstrole(1)","125306-83-4(1)","5656","High Reliability","-"]
[1445,"CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O\n\n\n","CC(=O)OCC1OC(OC(=O)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C","O=C(OCC1OC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1(OC(=O)C))C","",1,"beta-D-glucopyranose, pentaacetate(1)","604-69-3(1)","2378","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1446,"CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C=O\n\n\n","O=CC(C(C(C(OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","O=CC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)COC(=O)C","",1,"D-GLUCOSE, 2,3,4,5,6-PENTAACETATE(1)","3891-59-6(1)","3443","High Reliability","Stereochemistry removed"]
[1447,"CC(C)COC(=O)c1c(cccc1)C(=O)OCC(C)C\nCC(C)COC(=O)c1ccccc1C(=O)OCC(C)C\n\n","CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C","O=C(OCC(C)C)c1ccccc1(C(=O)OCC(C)C)","",1,"DI-ISOBUTYLPHTHALATE(1)","84-69-5(1)","545","High Reliability","-"]
[1448,"CCCCOC(=O)c1ccccc1C(=O)OCCCC\n\n\n","CCCCOC(=O)c1ccccc1C(=O)OCCCC","O=C(OCCCC)c1ccccc1(C(=O)OCCCC)","",1,"DIBUTYL PHTHALATE(1)","84-74-2(1)","546","High Reliability","-"]
[1449,"CC(C)N1C(SCN(C1=O)c2ccccc2)=NC(C)(C)C\n\n\n","CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C","O=C2N(c1ccccc1)CSC(=NC(C)(C)C)N2C(C)C","",1,"Buprofezin(1)","69327-76-0(1)","5117","High Reliability","-"]
[1450,"CCCCCCCCCOC(=O)c1ccc(N)cc1\n\n\n","CCCCCCCCCOC(=O)c1ccc(cc1)N","O=C(OCCCCCCCCC)c1ccc(N)cc1","",1,"BENZOIC ACID, 4-AMINO-, NONYL ESTER(1)","37139-21-2(1)","4641","Medium Reliability","-"]
[1451,"CCCCCCCCCCOC(=O)c1cnccc1\n\n\n","CCCCCCCCCCOC(=O)c1cccnc1","O=C(OCCCCCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxylic acid, decyl ester(1)","5338-17-0(1)","3588","High Reliability","-"]
[1452,"CCC(C)N(C(C)CC)C(=O)SCc1ccccc1\n\n\n","CCC(N(C(=O)SCc1ccccc1)C(CC)C)C","O=C(N(C(C)CC)C(C)CC)SCc1ccccc1","",1,"TIOCARBAZIL(1)","36756-79-3(1)","4637","High Reliability","-"]
[1453,"CCCCCCCCCCc1ccccc1\n\n\n","CCCCCCCCCCc1ccccc1","c1ccc(cc1)CCCCCCCCCC","",1,"1-PHENYLDECANE(1)","104-72-3(1)","956","High Reliability","-"]
[1454,"CCCCCCCCCCNC(=O)c1cnccc1\n\n\n","CCCCCCCCCCNC(=O)c1cccnc1","O=C(NCCCCCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxamide, N-decyl-(1)","81475-36-7(1)","5268","Medium Reliability","-"]
[1455,"CCCCCCCCCCCCN1CCCC1=O\n\n\n","CCCCCCCCCCCCN1CCCC1=O","O=C1N(CCC1)CCCCCCCCCCCC","",1,"1-LAURYL-2-PYRROLIDONE(1)","2687-96-9(1)","3274","Medium Reliability","-"]
[1456,"CCCCCCCCCCCCCCCC(O)=O\n\n\n","CCCCCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCCCC","",1,"PALMITIC ACID(1)","57-10-3(1)","117","High Reliability","-"]
[1457,"CCCCCCCCCCCCCCCC\n\n\n","CCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCC","",1,"N-HEXADECANE(1)","544-76-3(1)","2111","High Reliability","-"]
[1458,"CCCCCCCCCCCCCCCCO\n\n\n","CCCCCCCCCCCCCCCCO","OCCCCCCCCCCCCCCCC","",1,"1-HEXADECANOL(1)","36653-82-4(1)","4635","High Reliability","-"]
[1459,"FC(F)C(F)(F)Oc1c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl\n\n\n","O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)OC(C(F)F)(F)F","O=C(NC(=O)c1c(F)cccc1(F))Nc2cc(c(OC(F)(F)C(F)F)c(c2)Cl)Cl","",1,"HEXAFLUMURON(1)","86479-06-3(1)","5311","High Reliability","-"]
[1460,"Fc1cc2c(cc1)nc(-n3cncn3)n(c2=O)-c4c(Cl)cc(Cl)cc4\nFc1ccc2nc(-n3cncn3)n(c(=O)c2c1)-c4ccc(Cl)cc4Cl\n\n","Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1","O=C2c4cc(F)ccc4(N=C(n1ncnc1)N2c3ccc(cc3Cl)Cl)","",1,"Fluquinconazole(1)","136426-54-5(1)","5698","High Reliability","-"]
[1461,"[O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34\n\n\n","[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1","O=[N+]([O-])c4ccc1ccc2cccc3ccc4(c1c23)","",1,"Pyrene, 1-nitro-(1)","5522-43-0(1)","3630","High Reliability","-"]
[1462,"[O-][N+](=O)c1ccc2-c3ccccc3-c4cccc1c24\n\n\n","[O-][N+](=O)c1ccc2c3c1cccc3c1c2cccc1","O=[N+]([O-])c4ccc3c1ccccc1c2cccc4(c23)","",1,"3-Nitrofluoranthene(1)","892-21-7(1)","2734","High Reliability","-"]
[1463,"C1c2ccccc2-c3c1cc4ccccc4c3\nC1c2ccccc2-c3cc4ccccc4cc13\n\n","c1ccc2c(c1)c1cc3ccccc3cc1C2","c1ccc2cc4c(cc2(c1))c3ccccc3C4","",2,"11H-BENZO(B)FLUORENE(1), BENZO(B)FLUORENE(1)","243-17-4(1), 30777-19-6(1)","1669, 4514","High Reliability","-"]
[1464,"C1c2ccccc2-c3ccc4ccccc4c13\n\n\n","c1ccc2c(c1)c1ccc3c(c1C2)cccc3","c1ccc3c(c1)ccc4c2ccccc2Cc34","",2,"11H-BENZO(A)FLUORENE(1), BENZO(A)FLUORENE(1)","238-84-6(1), 30777-18-5(1)","1667, 4513","High Reliability","-"]
[1465,"OC(c1ccc(Cl)cc1)(c2cncnc2)c3ccccc3Cl\n\n\n","Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O","OC(c1cncnc1)(c2ccc(cc2)Cl)c3ccccc3Cl","",1,"FENARIMOL(1)","60168-88-9(1)","4984","High Reliability","-"]
[1466,"OC(=O)Cc1c(nc(s1)-c2ccccc2)-c3ccc(Cl)cc3\n\n\n","OC(=O)Cc1sc(nc1c1ccc(cc1)Cl)c1ccccc1","O=C(O)Cc2c(nc(c1ccccc1)s2)c3ccc(cc3)Cl","",1,"FENTIAZAC(1)","18046-21-4(1)","4176","High Reliability","-"]
[1467,"Clc1ccc(CSC(Cn2cncn2)=Nc3c(Cl)cc(Cl)cc3)cc1\nClc1ccc(CSC(Cn2cncn2)=Nc3ccc(Cl)cc3Cl)cc1\n\n","Clc1ccc(cc1)CSC(=Nc1ccc(cc1Cl)Cl)Cn1cncn1","n1cnn(c1)CC(=Nc2ccc(cc2Cl)Cl)SCc3ccc(cc3)Cl","",1,"Imibenconazole(1)","86598-92-7(1)","5312","High Reliability","-"]
[1468,"Fc1ccc(cc1)C2(Cn3cncn3)OC2c4c(Cl)cccc4\n\n\n","Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl","Fc1ccc(cc1)C3(OC3(c2ccccc2Cl))(Cn4ncnc4)","",1,"BAS 480F(1)","106325-08-0(1)","5525","High Reliability","Checked on PubChem, Checked on ChemID"]
[1469,"CC(Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C(=O)OCC#C\n\n\n","C#CCOC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C","O=C(OCC#C)C(Oc2ccc(Oc1ncc(cc1(F))Cl)cc2)C","",1,"CLODINAFOP-PROPARGYL(1)","105512-06-9(1)","5492","High Reliability","Stereochemistry removed"]
[1470,"CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(O)=O\n\n\n","OC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C","O=C(O)C(Oc3ccc(Oc1nc2ccc(cc2(nc1))Cl)cc3)C","",1,"Quizalofop(1)","76578-12-6(1)","5229","High Reliability","-"]
[1471,"OC(=O)c1c(cccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccs3\nOC(=O)c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3sccn3\n\n","O=C(c1ccccc1C(=O)O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1","O=C(O)c3ccccc3(C(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2)","",1,"Phthalylsulfathiazole(1)","85-73-4(1)","562","High Reliability","-"]
[1472,"ON(C(=O)c1ccccc1)c2cccc3ccccc23\n\n\n","O=C(N(c1cccc2c1cccc2)O)c1ccccc1","O=C(c1ccccc1)N(O)c3cccc2ccccc23","",1,"Benzamide, N-hydroxy-N-1-naphthalenyl-(1)","29556-18-1(1)","4486","Medium Reliability","-"]
[1473,"Cc1c(F)c(F)c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)c(F)c1F\n\n\n","O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1c(F)c(F)c(c(c1F)F)C","O=C(OCc1c(F)c(F)c(c(F)c1(F))C)C2C(C=C(C(F)(F)F)Cl)C2(C)(C)","",1,"TETRAFLUTHRIN(1)","79538-32-2(1)","5254","Medium Reliability","Stereochemistry removed"]
[1474,"COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(Cl)c(F)cc2\nCOC(=O)C(C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2\n\n","COC(=O)C(N(C(=O)c1ccccc1)c1ccc(c(c1)Cl)F)C","O=C(OC)C(N(C(=O)c1ccccc1)c2ccc(F)c(c2)Cl)C","",2,"FLAMPROP-METHYL(1), Flamprop-M-methyl(1)","52756-25-9(1), 63729-98-6(1)","4863, 5026","High Reliability","Stereochemistry removed"]
[1475,"CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c2ccc(Br)cc2\n\n\n","CC(OC(=O)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)O)C","O=C(OC(C)C)C(O)(c1ccc(cc1)Br)c2ccc(cc2)Br","",1,"ISOPROPYL 4,4'DIBROMOBENZILATE(1)","18181-80-1(1)","4185","High Reliability","-"]
[1476,"CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N3CCCO3\n\n\n","Clc1cnc(c(c1)Cl)Oc1ccc(cc1)OC(C(=O)N1CCCO1)C","O=C(N1OCCC1)C(Oc3ccc(Oc2ncc(cc2Cl)Cl)cc3)C","",1,"ISOXAPYRIFOP(1)","87757-18-4(1)","5321","High Reliability","-"]
[1477,"CN(C)CCOC(C)(c1ccccc1)c2ccc(Cl)cc2\nOCCN(Cc1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1)C(=O)C(Cl)Cl\n\n","OCCN(C(=O)C(Cl)Cl)Cc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]","O=C(N(Cc2ccc(Oc1ccc(cc1)[N+](=O)[O-])cc2)CCO)C(Cl)Cl","",1,"chlorphenoxamide(1)","3576-64-5(1)","3400","High Reliability","Name verified in PubChem"]
[1478,"CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2\n\n\n","CC(OC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O)C","O=C(OC(C)C)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl","",1,"ISOPROPYL-4,4'-DICHLOROBENZILATE(1)","5836-10-2(1)","3671","High Reliability","-"]
[1479,"CC(C)Oc1cc(NC(=O)c2c(cccc2)C(F)(F)F)ccc1\nCC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1\n\n","CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C","O=C(Nc1cccc(OC(C)C)c1)c2ccccc2C(F)(F)F","",1,"Flutolanil(1)","66332-96-5(1)","5063","High Reliability","-"]
[1480,"CC(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(C)=O)cc1\n\n\n","O=C(Nc1ccc(cc1)C(=O)C)Nc1ccc(cc1)C(=O)C","O=C(Nc1ccc(cc1)C(=O)C)Nc2ccc(cc2)C(=O)C","",1,"Urea, N,N'-bis(4-acetylphenyl)-(1)","20782-48-3(1)","4275","High Reliability","-"]
[1481,"CC(C)=C1OC(=O)N(C1=O)c2c(F)cc(Cl)c(OC3CCCC3)c2\n\n\n","CC(=C1OC(=O)N(C1=O)c1cc(OC2CCCC2)c(cc1F)Cl)C","O=C1OC(C(=O)N1c3cc(OC2CCCC2)c(cc3(F))Cl)=C(C)C","",1,"PENTOXAZONE(1)","110956-75-7(1)","5559","High Reliability","Checked on PubChem, Checked on ChemID"]
[1482,"CC(C)C1(C)N=C(NC1=O)c2nc3c(cccc3)cc2C(O)=O\nCC(C)C1(C)N=C(NC1=O)c2nc3ccccc3cc2C(O)=O\n\n","CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C","O=C(O)c2cc3ccccc3(nc2(C1=NC(C(=O)N1)(C)C(C)C))","",1,"Imazaquin(1)","81335-37-7(1)","5262","High Reliability","-"]
[1483,"CN1CCc2cccc-3c2C1Cc4c3c(O)c(O)cc4\nCN1CCc2cccc-3c2C1Cc4ccc(O)c(O)c34\n\n","CN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O","Oc1ccc4c(c1(O))c2cccc3c2C(N(C)CC3)C4","",1,"6A-BETA-APORPHINE-10,11-DIOL(1)","58-00-4(1)","143","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1484,"Cc1cc(ccc1N=Nc2c(Cl)cc(cc2Cl)[N+]([O-])=O)N(CCO)CCO\n\n\n","OCCN(c1ccc(c(c1)C)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO","O=[N+]([O-])c2cc(c(N=Nc1ccc(cc1C)N(CCO)CCO)c(c2)Cl)Cl","",1,"DIS. A. 10(1)","58528-60-2(1)","4959","High Reliability","Checked on PubChem, Checked on ChemID"]
[1485,"OC(=O)c1cn(C2CC2)c3cc(N4CCNCC4)c(F)cc3c1=O\n\n\n","Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1","O=C(O)C1=CN(c2cc(c(F)cc2(C1(=O)))N3CCNCC3)C4CC4","",1,"CIPROFLOXACIN(1)","85721-33-1(1)","5307","High Reliability","-"]
[1486,"Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC3COC3)n1\nCc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC3COC3)n1\n\n","O=C(NS(=O)(=O)c1ccccc1C(=O)OC1COC1)Nc1nc(C)cc(n1)C","O=C(OC1COC1)c2ccccc2S(=O)(=O)NC(=O)Nc3nc(cc(n3)C)C","",1,"Oxasulfuron(1)","144651-06-9(1)","5714","High Reliability","-"]
[1487,"CN(C)CCCN1c2c(Sc3c1cc(Cl)cc3)cccc2\nCN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13\n\n","CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C","c1ccc3c(c1)N(c2cc(ccc2S3)Cl)CCCN(C)C","",1,"CHLORPROMAZINE(1)","50-53-3(1)","26","High Reliability","-"]
[1488,"C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3\n[H+].[Cl-].C1CN=C(CN(Cc2ccccc2)c3ccccc3)N1\n\n","c1ccc(cc1)CN(c1ccccc1)CC1=NCCN1","N1=C(NCC1)CN(c2ccccc2)Cc3ccccc3","",1,"Antazoline(1)","91-75-8(1)","675","High Reliability","Differences in counterions"]
[1489,"CON=C(C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OC\n\n\n","CON=C(c1cccc(c1C(=O)OC)Oc1nc(OC)cc(n1)OC)C","O=C(OC)c2c(Oc1nc(OC)cc(n1)OC)cccc2(C(=NOC)C)","",1,"Pyriminobac-methyl(1)","136191-64-5(1)","5697","High Reliability","Stereochemistry removed"]
[1490,"COc1cc(OC)nc(N=C(O)NS(=O)(=O)Nc2ccccc2C(=O)C3CC3)n1\nCOc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccccc2C(=O)C3CC3)n1\n\n","COc1cc(OC)nc(n1)N=C(NS(=O)(=O)Nc1ccccc1C(=O)C1CC1)O","O=C(c2ccccc2(NS(=O)(=O)NC(O)=Nc1nc(OC)cc(n1)OC))C3CC3","",1,"Cyclosulfamuron(1)","136849-15-5(1)","5699","High Reliability","-"]
[1491,"CC(C)Oc1cccc(NC(=O)c2c(C)cccc2)c1\nCC(C)Oc1cccc(NC(=O)c2ccccc2C)c1\n\n","CC(Oc1cccc(c1)NC(=O)c1ccccc1C)C","O=C(Nc1cccc(OC(C)C)c1)c2ccccc2C","",1,"MEPRONIL(1)","55814-41-0(1)","4923","High Reliability","-"]
[1492,"CN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35\nO.O.O.O.O.CN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35.OS(O)(=O)=O\nOS(O)(=O)=O.CN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35.CN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35\nCN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35.OS(O)(=O)=O, C[NH+]1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35.C[NH+]1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35.[O-]S([O-])(=O)=O","OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O","Oc5ccc4c1c5(OC2C(O)C=CC3C(N(C)CCC123)C4)","",2,"MORPHINE(1), MORPHINE SULFATE(1)","57-27-2(1), 64-31-3(1)","123, 228","High Reliability","Differences in counterions, Organic counterion, Stereochemistry removed"]
[1493,"O=C(C=CC=Cc1ccc2OCOc2c1)N3CCCCC3\n\n\n","O=C(N1CCCCC1)C=CC=Cc1ccc2c(c1)OCO2","O=C(C=CC=Cc1ccc2OCOc2(c1))N3CCCCC3","",1,"1-PIPEROYL-(E,E)-PIPERIDINE(1)","94-62-2(1)","727","Medium Reliability","Stereochemistry removed"]
[1494,"COC(=O)C(C)N(C(=O)c1ccco1)c2c(C)cccc2C\n\n\n","COC(=O)C(N(c1c(C)cccc1C)C(=O)c1ccco1)C","O=C(OC)C(N(C(=O)c1occc1)c2c(cccc2C)C)C","",1,"FURALAXYL(1)","57646-30-7(1)","4949","High Reliability","-"]
[1495,"COc1ccc(cc1)C(C(C)N(=O)=O)c2ccc(OC)cc2\nCOc1ccc(cc1)C(C(C)[N+]([O-])=O)c2ccc(OC)cc2\n\n","COc1ccc(cc1)C(C([N+](=O)[O-])C)c1ccc(cc1)OC","O=[N+]([O-])C(C)C(c1ccc(OC)cc1)c2ccc(OC)cc2","",1,"1,1-BIS(P-MEO-PH)-2-NITROPROPANE(1)","34197-26-7(1)","4582","Medium Reliability","-"]
[1496,"CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1\n\n\n","CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1","O=C(OCC)NCCOc2ccc(Oc1ccccc1)cc2","",2,"FENOXYCARB(2)","72490-01-8(1), 79127-80-3(1)","5175, 5251","High Reliability","-"]
[1497,"CC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn3cncn3\n\n\n","OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C","OC2(C(=Cc1ccc(cc1)Cl)CCC2(C)(C))(Cn3ncnc3)","",1,"Triticonazole(1)","131983-72-7(1)","5680","High Reliability","Stereochemistry removed"]
[1498,"Cc1ccc(NC(O)=NC(C)(C)c2ccccc2)cc1\nCc1ccc(NC(=O)NC(C)(C)c2ccccc2)cc1\n\n","Cc1ccc(cc1)NC(=NC(c1ccccc1)(C)C)O","OC(=NC(c1ccccc1)(C)C)Nc2ccc(cc2)C","",1,"Daimuron(1)","42609-52-9(1)","4763","High Reliability","-"]
[1499,"CN(C(O)=NC(C)(C)c1ccccc1)c2ccccc2\nCN(C(=O)NC(C)(C)c1ccccc1)c2ccc(C)cc2\nCN(C(=O)NC(C)(C)c1ccccc1)c2ccccc2\n","CN(C(=NC(c1ccccc1)(C)C)O)c1ccccc1","OC(=NC(c1ccccc1)(C)C)N(c2ccccc2)C","",1,"methyldymron(1)","42609-73-4(1)","4764","High Reliability","Name verified in PubChem"]
[1500,"CC(CN1c2c(Sc3c1cccc3)cccc2)N(C)C\nCC(CN1c2ccccc2Sc3ccccc13)N(C)C\n\n","CN(C(CN1c2ccccc2Sc2c1cccc2)C)C","c1ccc3c(c1)N(c2ccccc2S3)CC(N(C)C)C","",1,"PROMETHAZINE(1)","60-87-7(1)","195","High Reliability","-"]
[1501,"CN(C)CCCN1c2ccccc2Sc3c1cccc3\nCN(C)CCCN1c2ccccc2Sc3ccccc13\n\n","CN(CCCN1c2ccccc2Sc2c1cccc2)C","c1ccc3c(c1)N(c2ccccc2S3)CCCN(C)C","",1,"PROMAZINE(1)","58-40-2(1)","152","High Reliability","-"]
[1502,"Cc1cc2c(cc1C)n(CC(O)C(O)C(O)CO)c-3nc(=O)[nH]c(=O)c3n2\nCc1cc2nc-3c(=O)[nH]c(=O)nc3n(CC(O)C(O)C(O)CO)c2cc1C\n\n","OCC(C(C(Cn1c2cc(C)c(cc2nc2c1nc(=O)[nH]c2=O)C)O)O)O","O=C3N=C2C(=Nc1cc(c(cc1N2CC(O)C(O)C(O)CO)C)C)C(=O)N3","",1,"RIBOFLAVIN(1)","83-88-5(1)","532","High Reliability","Stereochemistry removed"]
[1503,"CC(C)CC(c1ccc(O)cc1)c2ccc(O)cc2\n\n\n","CC(CC(c1ccc(cc1)O)c1ccc(cc1)O)C","Oc1ccc(cc1)C(c2ccc(O)cc2)CC(C)C","",1,"Phenol, 4,4'-(3-methylbutylidene)bis-(1)","2081-32-5(1)","3091","Medium Reliability","-"]
[1504,"CC1C(SC(=O)N1C(=O)NC2CCCCC2)c3ccc(Cl)cc3\n\n\n","CC1N(C(=O)NC2CCCCC2)C(=O)SC1c1ccc(cc1)Cl","O=C(NC1CCCCC1)N3C(=O)SC(c2ccc(cc2)Cl)C3C","",1,"Hexythiazox(1)","78587-05-0(1)","5249","High Reliability","Stereochemistry removed"]
[1505,"Cc1cc(ccc1N=Nc2ccccc2)N(CCO)CCO\n\n\n","OCCN(c1ccc(c(c1)C)N=Nc1ccccc1)CCO","OCCN(c2ccc(N=Nc1ccccc1)c(c2)C)CCO","",1,"DIS. A. 2(1)","3771-38-8(1)","3432","Medium Reliability","Checked on ChemID"]
[1506,"CN(C)CCOC(c1ccccc1)c2ccccc2\n\n\n","CN(CCOC(c1ccccc1)c1ccccc1)C","O(CCN(C)C)C(c1ccccc1)c2ccccc2","",1,"DIPHENHYDRAMINE(1)","58-73-1(1)","156","High Reliability","-"]
[1507,"CCN(CC)C(=O)C(C)Oc1c2ccccc2ccc1\nCCN(CC)C(=O)C(C)Oc1cccc2ccccc12\n\n","CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC","O=C(N(CC)CC)C(Oc1cccc2ccccc12)C","",1,"N,N-DIETHYL-2-(1-NAPHTHALENYLOXY)PROPANAMIDE(1)","15299-99-7(1)","4063","High Reliability","-"]
[1508,"COC(=O)C1C2CCC(CC1OC(=O)c3ccccc3)N2C\n\n\n","COC(=O)C1C(CC2N(C1CC2)C)OC(=O)c1ccccc1","O=C(OC2CC1N(C)C(CC1)C2(C(=O)OC))c3ccccc3","",1,"COCAINE(1)","50-36-2(1)","21","Medium Reliability","Stereochemistry removed"]
[1509,"CN1C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4\n\n\n","OCC(c1ccccc1)C(=O)OC1CC2N(C(C1)C1C2O1)C","O=C(OC1CC3N(C)C(C1)C2OC23)C(c4ccccc4)CO","",1,"SCOPOLAMINE(1)","51-34-3(1)","43","High Reliability","Stereochemistry removed"]
[1510,"CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c2ccccc2\n\n\n","CN(C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1)C","O=S(=O)(c1ccccc1)SCC(N(C)C)CSS(=O)(=O)c2ccccc2","",1,"BENSULTAP(1)","17606-31-4(1)","4161","High Reliability","-"]
[1511,"CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)Cn3cncn3\n\n\n","OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl","OC3(Cn1ncnc1)(C(Cc2ccc(cc2)Cl)CCC3(C)(C))","",1,"METCONAZOLE(1)","125116-23-6(1)","5654","High Reliability","-"]
[1512,"CC(O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I\n\n\n","OCC(NC(=O)c1c(I)c(C(=O)NC(CO)CO)c(c(c1I)NC(=O)C(O)C)I)CO","O=C(NC(CO)CO)c1c(c(NC(=O)C(O)C)c(c(C(=O)NC(CO)CO)c1I)I)I","",1,"Iopamidol(1)","60166-93-0(1)","4983","High Reliability","Stereochemistry removed"]
[1513,"CC(C)=CC1C(C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C\n\n\n","C#CCN1CC(=O)N(C1=O)COC(=O)C1C(C1(C)C)C=C(C)C","O=C(OCN1C(=O)N(CC#C)CC1(=O))C2C(C=C(C)C)C2(C)(C)","",1,"Imiprothrin(1)","72963-72-5(1)","5180","High Reliability","-"]
[1514,"CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3\n\n\n","OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)N2C","O=C(OC2CC1N(C)C(CC1)C2)C(c3ccccc3)CO","",2,"ATROPINE(1), Hyoscyamine(1)","51-55-8(1), 101-31-5(1)","50, 908","High Reliability","Stereochemistry removed"]
[1515,"CCc1cccc(CC)c1N(COCC=CC)C(=O)CCl\n\n\n","CC=CCOCN(c1c(CC)cccc1CC)C(=O)CCl","O=C(N(c1c(cccc1CC)CC)COCC=CC)CCl","",1,"Butenachlor(1)","87310-56-3(1)","5318","High Reliability","Stereochemistry removed"]
[1516,"CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC\n\n\n","CCOC(=O)CCN(SN(C(=O)ON=C(SC)C)C)Cc1ccccc1","O=C(ON=C(C)SC)N(C)SN(Cc1ccccc1)CCC(=O)OCC","",1,"ALANYCARB(1)","83130-01-2(1)","5287","Medium Reliability","Stereochemistry removed"]
[1517,"NC(C(O)C(O)COC(N)=O)C(=O)NC(C1OC(C(O)C1O)n2cc(CO)c(=O)[nH]c2=O)C(O)=O\n\n\n","OCc1cn(c(=O)[nH]c1=O)C1OC(C(C1O)O)C(C(=O)O)NC(=O)C(C(C(COC(=O)N)O)O)N","O=C(OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C2OC(N1C=C(C(=O)NC1(=O))CO)C(O)C2(O))N","",1,"Polyoxin B(1)","19396-06-6(1)","4224","High Reliability","Stereochemistry removed"]
[1518,"CCCCN(CCCC)C(=O)COC(=O)c1ccccc1\n\n\n","CCCCN(C(=O)COC(=O)c1ccccc1)CCCC","O=C(OCC(=O)N(CCCC)CCCC)c1ccccc1","",1,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-DIBUTYL-(1)","106231-57-6(1)","5509","Medium Reliability","-"]
[1519,"CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC\n\n\n","CCCOCCN(c1c(CC)cccc1CC)C(=O)CCl","O=C(N(c1c(cccc1CC)CC)CCOCCC)CCl","",1,"PRETILCHLOR(1)","51218-49-6(1)","4805","Medium Reliability","-"]
[1520,"CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC\n\n\n","CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl","O=C(N(c1c(cccc1CC)CC)COCCCC)CCl","",1,"BUTACHLOR(1)","23184-66-9(1)","4339","High Reliability","-"]
[1521,"CNC(=O)Oc1c(cc(C)cc1C(C)(C)C)C(C)(C)C\n\n\n","CNC(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C","O=C(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)NC","",1,"2,6-DI-T-BUTYL-P-TOLYL METHYLCARBAMATE(1)","1918-11-2(1)","3027","High Reliability","-"]
[1522,"Cl.CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC\nCCCCOc1ccc(cc1)C(=O)OCCN(CC)CC\n[H+].[Cl-].CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC\n","CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC","O=C(OCCN(CC)CC)c1ccc(OCCCC)cc1","",1,"4-Butoxybenzoic acid 2-(diethylamino)ethyl ester(1)","2350-32-5(1)","3173","Medium Reliability","Differences in counterions"]
[1523,"CCCC(=NOCC)C1=C(O)CC(CC1=O)C2CCCSC2\n\n\n","CCON=C(C1=C(O)CC(CC1=O)C1CCCSC1)CCC","O=C1C(=C(O)CC(C1)C2CCCSC2)C(=NOCC)CCC","",1,"Cycloxydim(1)","101205-02-1(1)","5459","High Reliability","Checked on PubChem, Checked on ChemID"]
[1524,"CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2\n\n\n","OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C","OC(COc1cccc2c1CC(O)C(O)C2)CNC(C)(C)C","",1,"NADOLOL(1)","42200-33-9(1)","4757","High Reliability","Stereochemistry removed"]
[1525,"CCCCCCCCCCCc1ccccc1\n\n\n","CCCCCCCCCCCc1ccccc1","c1ccc(cc1)CCCCCCCCCCC","",1,"BENZENE, C10-13-ALKYL DERIVS.(1)","67774-74-7(1)","5088","High Reliability","Checked on PubChem, Checked on ChemID"]
[1526,"CCCCCCCCCCCN=C(O)c1cnccc1\nCCCCCCCCCCCNC(=O)c1cccnc1\n\n","CCCCCCCCCCCN=C(c1cccnc1)O","OC(=NCCCCCCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxamide, N-undecyl-(1)","81475-37-8(1)","5269","Medium Reliability","-"]
[1527,"CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C\n\n\n","CCOC(=O)C=C(C=CCC(CCCC(C)C)C)C","O=C(OCC)C=C(C=CCC(C)CCCC(C)C)C","",2,"Hydroprene(1), HYDROPRENE(1)","41096-46-2(1), 41205-09-8(1)","4737, 4739","High Reliability","Stereochemistry removed"]
[1528,"CCCCCCCCCCCCN1CC(CC1=O)C(O)=O\n\n\n","CCCCCCCCCCCCN1CC(CC1=O)C(=O)O","O=C(O)C1CC(=O)N(CCCCCCCCCCCC)C1","",1,"1-LAURYL-4-CARBOXY-2-PYRROLIDONE(1)","10054-21-4(1)","3897","High Reliability","Checked on PubChem, Checked on ChemID"]
[1529,"CC1CC(C)(C)CC(C1)(OOC(C)(C)C)OOC(C)(C)C\n\n\n","CC1CC(C)(C)CC(C1)(OOC(C)(C)C)OOC(C)(C)C","O(OC1(OOC(C)(C)C)(CC(C)CC(C)(C)C1))C(C)(C)C","",1,"Di-tert-butylperoxy-3,3,5-trimethylcyclohexane p(1)","6731-36-8(1)","3774","Medium Reliability","-"]
[1530,"CCCCCCCCCCCCCCN=C(O)C(C)O\nCCCCCCCCCCCCCCNC(=O)C(C)O\n\n","CCCCCCCCCCCCCCN=C(C(O)C)O","OC(=NCCCCCCCCCCCCCC)C(O)C","",1,"Propanamide, 2-hydroxy-N-tetradecyl-(1)","96945-44-7(1)","5406","Medium Reliability","-"]
[1531,"NCCCCCCNCCCCCCCCCCC(O)=O\n\n\n","NCCCCCCNCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCNCCCCCCN","",1,"Undecanoic acid, 11-[(6-aminohexyl)amino]-(1)","101791-68-8(1)","5467","Medium Reliability","-"]
[1532,"CCCCCCCCCCCCCCCCCO\n\n\n","CCCCCCCCCCCCCCCCCO","OCCCCCCCCCCCCCCCCC","",1,"HEPTADECYL ALCOHOL(1)","1454-85-9(1)","2905","High Reliability","-"]
[1533,"FC(OC(F)(F)F)C(F)(F)Oc1c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)cc1\n\n\n","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Cl)OC(C(OC(F)(F)F)F)(F)F","O=C(NC(=O)c1c(F)cccc1(F))Nc2ccc(OC(F)(F)C(F)OC(F)(F)F)c(c2)Cl","",1,"Novaluron(1)","116714-46-6(1)","5609","High Reliability","-"]
[1534,"c1cc2cc3cc4ccccc4cc3cc2cc1\n\n\n","c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2","c1ccc2cc3cc4ccccc4(cc3(cc2(c1)))","",1,"TETRACENE(1)","92-24-0(1)","683","High Reliability","-"]
[1535,"c1cc2c(cc1)cc3c(ccc4c3cccc4)c2\nc1ccc2cc3c(ccc4ccccc34)cc2c1\n\n","c1ccc2c(c1)cc1c(c2)ccc2c1cccc2","c3ccc4cc2c(ccc1ccccc12)cc4(c3)","",1,"BENZ(A)ANTHRACENE(1)","56-55-3(1)","102","High Reliability","-"]
[1536,"c1ccc2c(c1)c3ccccc3c4ccccc24\n\n\n","c1ccc2c(c1)c1ccccc1c1c2cccc1","c1ccc3c(c1)c2ccccc2c4ccccc34","",1,"TRIPHENYLENE(1)","217-59-4(1)","1657","High Reliability","-"]
[1537,"c1cc2c(cc1)c3c(cc2)c4c(cccc4)cc3\nc1ccc2c(c1)ccc3c4ccccc4ccc23\n\n","c1ccc2c(c1)c1ccc3c(c1cc2)cccc3","c1ccc2c(c1)ccc3c4ccccc4(ccc23)","",1,"CHRYSENE(1)","218-01-9(1)","1658","High Reliability","-"]
[1538,"c1ccc2c(ccc3c2c4ccccc4cc3)c1\nc1ccc2c(c1)ccc3ccc4ccccc4c23\n\n","c1ccc2c(c1)ccc1c2c2ccccc2cc1","c1ccc4c(c1)ccc3ccc2ccccc2c34","",1,"BENZO(C)PHENANTHRENE(1)","195-19-7(1)","1646","High Reliability","-"]
[1539,"ClC1=C(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C2(Cl)Cl)C5(Cl)C(Cl)=C(Cl)C4(Cl)C5(Cl)Cl\nClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl\n\n","ClC1=C(Cl)C2(C(C1(Cl)C1C2CCC2C(CC1)C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl","C2(=C(C3(C1CCC4C(CCC1C2(C3(Cl)Cl)Cl)C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","",1,"dechloraneplus(1)","13560-89-9(1)","3990","High Reliability","Name verified in PubChem"]
[1540,"c1cc2ccc(nc2cc1)-c3ccc4ccccc4n3\nc1ccc2nc(ccc2c1)-c3ccc4ccccc4n3\n\n","c1ccc2c(c1)nc(cc2)c1ccc2c(n1)cccc2","n1c(ccc2ccccc12)c3nc4ccccc4(cc3)","",1,"2,2'-BIQUINOLINE(1)","119-91-5(1)","1348","High Reliability","-"]
[1541,"Oc1ncnc2c1nc(-c3ccccc3)c(n2)-c4ccccc4\nO=c1nc[nH]c2nc(-c3ccccc3)c(nc12)-c4ccccc4\n\n","Oc1ncnc2c1nc(c1ccccc1)c(n2)c1ccccc1","Oc1ncnc2nc(c(nc12)c3ccccc3)c4ccccc4","",1,"4(1H)-Pteridinone, 6,7-diphenyl-(1)","24863-39-6(1)","4368","Medium Reliability","-"]
[1542,"Nc1cc2c(ccc3ccccc23)c4ccccc14\nNc1cc2c3ccccc3ccc2c4ccccc14\n\n","Nc1cc2c(c3c1cccc3)ccc1c2cccc1","Nc1cc3c4ccccc4(ccc3(c2ccccc12))","",1,"6-AMINOCHRYSENE(1)","2642-98-0(1)","3269","Medium Reliability","-"]
[1543,"c1ccc(cc1)-c2ccc(cc2)-c3ccccc3\n\n\n","c1ccc(cc1)c1ccc(cc1)c1ccccc1","c1ccc(cc1)c2ccc(cc2)c3ccccc3","",1,"1,1':4',1''-TERPHENYL(1)","92-94-4(1)","695","High Reliability","-"]
[1544,"c1ccc(cc1)-c2cc(ccc2)-c3ccccc3\n\n\n","c1cc(cc(c1)c1ccccc1)c1ccccc1","c1ccc(cc1)c2cccc(c2)c3ccccc3","",1,"m-TERPHENYL(1)","92-06-8(1)","682","High Reliability","-"]
[1545,"c1ccc(cc1)-c2ccccc2-c3ccccc3\n\n\n","c1ccc(cc1)c1ccccc1c1ccccc1","c1ccc(cc1)c3ccccc3(c2ccccc2)","",1,"O-TERPHENYL(1)","84-15-1(1)","535","High Reliability","-"]
[1546,"CNC1=C(C(=O)C(O1)c2ccccc2)c3cc(ccc3)C(F)(F)F\n\n\n","CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1","O=C2C(c1cccc(c1)C(F)(F)F)=C(OC2c3ccccc3)NC","",1,"FLURTAMONE(1)","96525-23-4(1)","5405","High Reliability","-"]
[1547,"[O-][N+](=O)c1ccc(cc1)N=Nc2ccc(Nc3ccccc3)cc2\n\n\n","[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(cc1)Nc1ccccc1","O=[N+]([O-])c3ccc(N=Nc1ccc(cc1)Nc2ccccc2)cc3","",1,"C.I. DISPERSE ORANGE 1(1)","2581-69-3(1)","3242","Medium Reliability","-"]
[1548,"O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3\n\n\n","O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3","",1,"TRIPHENYLPHOSPHATE(1)","115-86-6(1)","1289","High Reliability","-"]
[1549,"CCOC(=O)C(C)Oc1ccc(Oc2nc3c(o2)cc(Cl)cc3)cc1\nCCOC(=O)C(C)Oc1ccc(Oc2oc3cc(Cl)ccc3n2)cc1\n\n","CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C","O=C(OCC)C(Oc3ccc(Oc1nc2ccc(cc2(o1))Cl)cc3)C","",3,"Fenoxaprop ethyl(1), Fenoxaprop-ethyl(1), FENOXAPROP-ETHYL(1)","66441-23-4(1), 71283-80-2(1), 82110-72-3(1)","5066, 5161, 5274","High Reliability","Stereochemistry removed"]
[1550,"CCOC(=O)C(C)N(C(=O)c1ccccc1)c2cc(Cl)c(Cl)cc2\nCCOC(=O)C(C)N(C(=O)c1ccccc1)c2ccc(Cl)c(Cl)c2\n\n","CCOC(=O)C(N(C(=O)c1ccccc1)c1ccc(c(c1)Cl)Cl)C","O=C(OCC)C(N(C(=O)c1ccccc1)c2ccc(c(c2)Cl)Cl)C","",1,"BENZOYLPROP ETHYL(1)","22212-55-1(1)","4313","High Reliability","-"]
[1551,"OCCOCCOC(=O)c1c(Nc2cccc(c2)C(F)(F)F)cccc1\nOCCOCCOC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F\n\n","OCCOCCOC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F","O=C(OCCOCCO)c2ccccc2(Nc1cccc(c1)C(F)(F)F)","",1,"Etofenamate(1)","30544-47-9(1)","4508","High Reliability","-"]
[1552,"CC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O\n\n\n","Oc1ccc2c(c1)ccc1c2CCC2(C1CCC2=O)C","O=C3CCC4c2ccc1cc(O)ccc1c2CCC34(C)","",1,"Equilenin(1)","517-09-9(1)","1974","High Reliability","Stereochemistry removed"]
[1553,"CC=C(C(=CC)c1ccc(O)cc1)c2ccc(O)cc2\n\n\n","CC=C(C(=CC)c1ccc(cc1)O)c1ccc(cc1)O","Oc1ccc(cc1)C(=CC)C(=CC)c2ccc(O)cc2","",1,"Dienestrol(1)","84-17-3(1)","537","High Reliability","Stereochemistry removed"]
[1554,"CCCCOC(=O)C1(O)c2c(cccc2)-c3c1cccc3\nCCCCOC(=O)C1(O)c2ccccc2-c3ccccc13\n\n","CCCCOC(=O)C1(O)c2ccccc2c2c1cccc2","O=C(OCCCC)C2(O)(c3ccccc3(c1ccccc12))","",1,"Flurenol-butyl(1)","2314-09-2(1)","3168","High Reliability","-"]
[1555,"OC(=O)CCCC(C(O)=O)(c1ccccc1)c2ccccc2\n\n\n","OC(=O)C(c1ccccc1)(c1ccccc1)CCCC(=O)O","O=C(O)CCCC(C(=O)O)(c1ccccc1)c2ccccc2","",1,"Hexanedioic acid, 2,2-diphenyl-(1)","103387-44-6(1)","5481","Medium Reliability","-"]
[1556,"CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c2ccccc2\n\n\n","Clc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1ccccc1","O=C(NN(C(=O)c1ccccc1)C(C)(C)C)c2ccc(cc2)Cl","",1,"HALOFENOZIDE(1)","112226-61-6(1)","5571","High Reliability","-"]
[1557,"CON=C(C(=O)OC)c1c(COc2c(C)cccc2)cccc1\nCON=C(C(=O)OC)c1ccccc1COc2ccccc2C\n\n","CON=C(c1ccccc1COc1ccccc1C)C(=O)OC","O=C(OC)C(=NOC)c1ccccc1COc2ccccc2C","",1,"BAS 490F(1)","143390-89-0(1)","5713","Medium Reliability","Stereochemistry removed"]
[1558,"CC12CCC3C(=CCc4c3ccc(O)c4)C1CCC2=O\nCC12CCC3C(=CCc4cc(O)ccc34)C1CCC2=O\n\n","Oc1ccc2c(c1)CC=C1C2CCC2(C1CCC2=O)C","O=C3CCC4C2=CCc1cc(O)ccc1C2CCC34(C)","",1,"Equilin(1)","474-86-2(1)","1836","High Reliability","Stereochemistry removed"]
[1559,"CCC(=C(CC)c1ccc(O)cc1)c2ccc(O)cc2\n\n\n","CCC(=C(c1ccc(cc1)O)CC)c1ccc(cc1)O","Oc1ccc(cc1)C(=C(c2ccc(O)cc2)CC)CC","",1,"DES(1)","56-53-1(1)","100","High Reliability","Stereochemistry removed"]
[1560,"CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1\n\n\n","CCC1OCC(O1)COc1ccc(cc1)Oc1ccccc1","O(c1ccccc1)c3ccc(OCC2OC(OC2)CC)cc3","",1,"DIOFENOLAN(1)","63837-33-2(1)","5028","High Reliability","Stereochemistry removed"]
[1561,"COc1c(O)c2c(CC3C4C=CC(=O)CC24CCN3C)cc1\n\n\n","COc1ccc2c(c1O)C13CCN(C(C2)C3C=CC(=O)C1)C","O=C3C=CC4C2N(C)CCC4(c1c(O)c(OC)ccc1C2)(C3)","",1,"Thebainone(1)","467-98-1(1)","1821","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1562,"COc1c2OC3C(O)C=CC4C5Cc(cc1)c2C34CCN5C\nCOc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C\n\n","COc1ccc2c3c1OC1C43CCN(C(C2)C4C=CC1O)C","OC1C=CC5C4N(C)CCC25(c3c(OC12)c(OC)ccc3C4)","",1,"CODEINE(1)","76-57-3(1)","400","High Reliability","Stereochemistry removed"]
[1563,"CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12\n\n\n","CCCCCC(OC(=O)COc1ccc(c2c1nccc2)Cl)C","O=C(OC(C)CCCCC)COc1ccc(c2cccnc12)Cl","",1,"Cloquintocet-mexyl(1)","99607-70-2(1)","5442","High Reliability","-"]
[1564,"CN(C(C)=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)NC2C(O)OC(CO)C(O)C2O)c1I\n\n\n","OCC1OC(O)C(C(C1O)O)NC(=O)c1c(I)c(NC(=O)C)c(c(c1I)N(C(=O)C)C)I","O=C(NC1C(O)OC(CO)C(O)C1(O))c2c(c(NC(=O)C)c(c(c2I)N(C(=O)C)C)I)I","",1,"METRIZAMIDE(1)","31112-62-6(1)","4520","High Reliability","Stereochemistry removed"]
[1565,"CN1CCN(CC1)C(c2ccccc2)c3ccccc3\n\n\n","CN1CCN(CC1)C(c1ccccc1)c1ccccc1","c1ccc(cc1)C(c2ccccc2)N3CCN(C)CC3","",1,"CYCLIZINE(1)","82-92-8(1)","518","High Reliability","-"]
[1566,"CNCCCN1c2c(CCc3c1cccc3)cccc2\nCNCCCN1c2ccccc2CCc3ccccc13\n\n","CNCCCN1c2ccccc2CCc2c1cccc2","c1ccc3c(c1)N(c2ccccc2CC3)CCCNC","",1,"DESIPRAMINE(1)","50-47-5(1)","23","High Reliability","-"]
[1567,"COc1cccc(n1)N(C)C(=S)Oc2cccc(c2)C(C)(C)C\n\n\n","COc1cccc(n1)N(C(=S)Oc1cccc(c1)C(C)(C)C)C","n1c(OC)cccc1N(C(Oc2cccc(c2)C(C)(C)C)=S)C","",1,"Pyributicarb(1)","88678-67-5(1)","5330","High Reliability","-"]
[1568,"CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2\n\n\n","CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C","O(OC(c1ccccc1)(C)C)C(c2ccccc2)(C)C","",1,"PEROXIDE, BIS(1-METHYL-1-PHENYLETHYL)(1)","80-43-3(1)","492","High Reliability","-"]
[1569,"CC12CCC3C(CCc4c3ccc(O)c4)C1CCC2=O\nCC12CCC3C(CCc4cc(O)ccc34)C1CCC2=O\n\n","Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2=O)C","O=C2CCC3C4CCc1cc(O)ccc1C4(CCC23(C))","",1,"ESTRONE(1)","53-16-7(1)","69","High Reliability","Stereochemistry removed"]
[1570,"CCC(C(CC)c1ccc(O)cc1)c2ccc(O)cc2\n\n\n","CCC(C(c1ccc(cc1)O)CC)c1ccc(cc1)O","Oc1ccc(cc1)C(CC)C(c2ccc(O)cc2)CC","",1,"Hexestrol(1)","84-16-2(1)","536","High Reliability","Stereochemistry removed"]
[1571,"CCC(N(Cc1ccco1)C(=O)n2ccnc2)C(=O)OCCCC=C\n\n\n","C=CCCCOC(=O)C(N(C(=O)n1cncc1)Cc1ccco1)CC","O=C(OCCCC=C)C(N(C(=O)n1cncc1)Cc2occc2)CC","",1,"Pefurazoate(1)","101903-30-4(1)","5469","High Reliability","-"]
[1572,"CC(C)C1CCC(Cc2ccc(Cl)cc2)C1(O)Cn3cncn3\n\n\n","CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C","OC3(Cn1ncnc1)(C(Cc2ccc(cc2)Cl)CCC3(C(C)C))","",1,"IPCONAZOLE(1)","125225-28-7(1)","5655","Medium Reliability","-"]
[1573,"CCc1nn(C)c(C(=O)NCc2ccc(cc2)C(C)(C)C)c1Cl\n\n\n","CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C","O=C(NCc1ccc(cc1)C(C)(C)C)c2c(c(nn2C)CC)Cl","",1,"Tebufenpyrad(1)","119168-77-3(1)","5632","High Reliability","-"]
[1574,"CCC(C)(CC)c1noc(NC(=O)c2c(OC)cccc2OC)c1\n\n\n","CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C","O=C(Nc1onc(c1)C(C)(CC)CC)c2c(OC)cccc2(OC)","",1,"Isoxaben(1)","82558-50-7(1)","5279","High Reliability","-"]
[1575,"[H]C12CCC(O)C1(C)CCC3([H])c4ccc(O)cc4CCC23[H]\nCC12CCC3C(CCc4cc(O)ccc34)C1CCC2O\nCC12CCC3C(CCc4c3ccc(O)c4)C1CCC2O\nCC12CCC3C(CCc4cc(O)ccc34)C1CCC2O","Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2O)C","Oc1ccc2c(c1)CCC3C2CCC4(C)(C(O)CCC34)","",2,"ESTRADIOL(1), a-Estradiol(1)","50-28-2(1), 57-91-0(1)","14, 141","High Reliability","Stereochemistry removed"]
[1576,"CCCCOC(=O)N(C)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2\n\n\n","CCCCOC(=O)N(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)C","O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)OCCCC)C","",1,"FURATHIOCARB(1)","65907-30-4(1)","5055","High Reliability","-"]
[1577,"CC1CC(C)(C)c2c(cc(C)c(c2)C(C)=O)C1(C)C\nCC1CC(C)(C)c2cc(C(C)=O)c(C)cc2C1(C)C\n\n","CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C","O=C(c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C)C","",1,"Tonalid(1)","21145-77-7(1)","4289","High Reliability","-"]
[1578,"CC1C(C)(C)c2cc3c(cc2C1(C)C)C(C)COC3\nCC1COCc2cc3c(cc12)C(C)(C)C(C)C3(C)C\n\n","CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C","O2Cc1cc3c(cc1C(C)C2)C(C)(C)C(C)C3(C)C","",1,"Galaxolide(1)","1222-05-5(1)","2878","High Reliability","-"]
[1579,"CC(C)C12CCC(C)(O1)C(C2)OCc3c(C)cccc3\nCC(C)C12CCC(C)(O1)C(C2)OCc3ccccc3C\n\n","CC(C12CCC(O2)(C(C1)OCc1ccccc1C)C)C","O(Cc1ccccc1C)C3CC2(OC3(C)(CC2))C(C)C","",1,"CINMETHYLIN(1)","87818-31-3(1)","5322","High Reliability","Stereochemistry removed"]
[1580,"CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O\n\n\n","O=C1CCC2C(=C1)CCC1C2CCC2(C1CCC2O)C","O=C4C=C3CCC1C(CCC2(C)(C(O)CCC12))C3CC4","",1,"NANDROLONE(1)","434-22-0(1)","1781","High Reliability","Stereochemistry removed"]
[1581,"CCC=C(C)C(OC(=O)C1C(C=C(C)C)C1(C)C)C#C\n\n\n","CCC=C(C(OC(=O)C1C(C1(C)C)C=C(C)C)C#C)C","O=C(OC(C#C)C(=CCC)C)C1C(C=C(C)C)C1(C)(C)","",1,"EMPENTHRIN(1)","54406-48-3(1)","4890","High Reliability","Stereochemistry removed"]
[1582,"CCC(COC(=O)C(C)=C)(COC(=O)C(C)=C)COC(=O)C(C)=C\nCCC(CO)(CO)CO.CC(=C)C(O)=O.CC(=C)C(O)=O.CC(=C)C(O)=O\n\n","CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C","O=C(OCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)CC)C(=C)C","",1,"trimethylolpropanetrimethacrylate(1)","3290-92-4(1)","3363","High Reliability","Name verified in PubChem"]
[1583,"CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C\n\n\n","CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C","O=C(Nc1c(cccc1C)C)C2N(CCCC)CCCC2","",1,"BUPIVACAINE(1)","2180-92-9(1)","3119","High Reliability","-"]
[1584,"CC(C)CCCC(C)CC=CC(C)=CC(=O)OCC#C\n\n\n","C#CCOC(=O)C=C(C=CCC(CCCC(C)C)C)C","O=C(OCC#C)C=C(C=CCC(C)CCCC(C)C)C","",1,"Kinoprene(1)","42588-37-4(1)","4762","High Reliability","Stereochemistry removed"]
[1585,"CC(C)(C)NCC(O)COc1ccccc1C2CCCC2\n\n\n","OC(COc1ccccc1C1CCCC1)CNC(C)(C)C","OC(COc1ccccc1C2CCCC2)CNC(C)(C)C","",1,"PENBUTOLOL(1)","38363-40-5(1)","4666","High Reliability","Stereochemistry removed"]
[1586,"CCCCCCCCCCCCNC(=O)c1cnccc1\n\n\n","CCCCCCCCCCCCNC(=O)c1cccnc1","O=C(NCCCCCCCCCCCC)c1cnccc1","",1,"3-Pyridinecarboxamide, N-dodecyl-(1)","81475-38-9(1)","5270","High Reliability","-"]
[1587,"CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C\n\n\n","Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C","Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C","",1,"2,4,6-TRI(TERT-BUTYL)PHENOL(1)","732-26-3(1)","2663","High Reliability","-"]
[1588,"OCC1OC(CO)(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O\n\n\n","OCC1OC(C(C1O)O)(CO)OC1OC(COC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)O","OCC3OC(OCC2OC(OC1(OC(CO)C(O)C1(O))(CO))C(O)C(O)C2(O))C(O)C(O)C3(O)","",1,"RAFFINOSE(1)","512-69-6(1)","1954","High Reliability","Stereochemistry removed"]
[1589,"CCCCCCCCCCCCN1CC(CC1=O)C(=O)OC\n\n\n","CCCCCCCCCCCCN1CC(CC1=O)C(=O)OC","O=C(OC)C1CC(=O)N(CCCCCCCCCCCC)C1","",1,"1-LAURYL-4-METHOXYCARBONYL-2-PYRROLIDONE(1)","101881-19-0(1)","5468","Medium Reliability","-"]
[1590,"CCCCOC(=O)CCCCCCCCC(=O)OCCCC\n\n\n","CCCCOC(=O)CCCCCCCCC(=O)OCCCC","O=C(OCCCC)CCCCCCCCC(=O)OCCCC","",1,"DIBUTYL SEBACATE(1)","109-43-3(1)","1126","High Reliability","-"]
[1591,"CCOCCOC(=O)CCCCCCCCC(=O)OCCOCC\n\n\n","CCOCCOC(=O)CCCCCCCCC(=O)OCCOCC","O=C(OCCOCC)CCCCCCCCC(=O)OCCOCC","",1,"Decanedioic acid, bis(2-ethoxyethyl) ester(1)","624-10-2(1)","2501","High Reliability","-"]
[1592,"CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC\nCCC(CC)C(O)=O.CCC(CC)C(O)=O.OCCOCCOCCO\n\n","CCC(C(=O)OCCOCCOCCOC(=O)C(CC)CC)CC","O=C(OCCOCCOCCOC(=O)C(CC)CC)C(CC)CC","",1,"triethyleneglycolbis(2-ethylbutyrate)(1)","95-08-9(1)","738","High Reliability","Name verified in PubChem"]
[1593,"CCCCCCC(CC=CCCCCCCCC(O)=O)OS(O)(=O)=O\n\n\n","CCCCCCC(OS(=O)(=O)O)CC=CCCCCCCCC(=O)O","O=C(O)CCCCCCCC=CCC(OS(=O)(=O)O)CCCCCC","",2,"9-Octadecenoic acid, 12-(sulfooxy)-, (Z)-(1), 9-OCTADECENOIC ACID, 12-(SULFOOXY)-(1)","32430-00-5(1), 36634-48-7(1)","4532, 4634","Medium Reliability, High Reliability","Stereochemistry removed, Manual Check passed"]
[1594,"OC1=NCCCCCCCCCCCCCCCCC1\nO=C1CCCCCCCCCCCCCCCCCN1\n\n","OC1=NCCCCCCCCCCCCCCCCC1","OC1=NCCCCCCCCCCCCCCCCC1","",1,"Azacyclononadecan-2-one(1)","109643-95-0(1)","5555","Medium Reliability","-"]
[1595,"CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1\n\n\n","CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC","O1CC(OC12(CCC(CC2)C(C)(C)C))CN(CC)CCC","",1,"kwg4168(1)","118134-30-8(1)","5617","Medium Reliability","Name verified in PubChem"]
[1596,"CCCCCCCCCCCCCCCCCC(O)=O\n\n\n","CCCCCCCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCCCCCC","",1,"STEARIC ACID(1)","57-11-4(1)","118","High Reliability","-"]
[1597,"CCCCCCCCCCCCCCCCCC\n\n\n","CCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCC","",1,"OCTADECANE(1)","593-45-3(1)","2318","High Reliability","-"]
[1598,"CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC\n\n\n","CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC","O=P(OCCCC)(OCCCC)C1(NCCCC)(CCCCC1)","",1,"Buminafos(1)","51249-05-9(1)","4807","High Reliability","-"]
[1599,"CCCCCCCCCCCCCCCCCCO\n\n\n","CCCCCCCCCCCCCCCCCCO","OCCCCCCCCCCCCCCCCCC","",1,"1-OCTADECANOL(1)","112-92-5(1)","1266","High Reliability","-"]
[1600,"CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC\n\n\n","CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC","O=P(OCCOCCCC)(OCCOCCCC)OCCOCCCC","",1,"TRI-2-BUTOXYETHYL PHOSPHATE(1)","78-51-3(1)","438","Medium Reliability","-"]
[1601,"Fc1ccc(NC(=O)c2c(Oc3cc(ccc3)C(F)(F)F)nccc2)c(F)c1\n\n\n","Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F","O=C(Nc1ccc(F)cc1(F))c3cccnc3(Oc2cccc(c2)C(F)(F)F)","",1,"DIFLUFENICAN(1)","83164-33-4(1)","5288","High Reliability","-"]
[1602,"Cc1c2cc(F)c3ccccc3c2cc4ccccc14\nCc1c2ccccc2cc3c1cc(F)c4ccccc34\n\n","Cc1c2cc(F)c3c(c2cc2c1cccc2)cccc3","Fc3cc2c(cc1ccccc1c2C)c4ccccc34","",1,"BENZ[a]ANTHRACENE, 5-FLUORO-7-METHYL-(1)","2498-63-7(1)","3224","High Reliability","-"]
[1603,"Cc1c2c(F)cc3ccccc3c2cc4ccccc14\nCc1c2ccccc2cc3c4ccccc4cc(F)c13\n\n","Fc1cc2ccccc2c2c1c(C)c1ccccc1c2","Fc3cc1ccccc1c4cc2ccccc2c(c34)C","",1,"BENZ[a]ANTHRACENE, 6-FLUORO-7-METHYL-(1)","2541-68-6(1)","3234","High Reliability","-"]
[1604,"Cc1cc2ccccc2c3c1c4ccccc4cc3\nCc1cc2ccccc2c3ccc4ccccc4c13\n\n","Cc1cc2ccccc2c2c1c1ccccc1cc2","c1ccc2c(c1)ccc3c4ccccc4(cc(c23)C)","",1,"5-METHYLCHRYSENE(1)","3697-24-3(1)","3415","High Reliability","-"]
[1605,"Cc1cc2c(ccc3ccccc23)c4ccccc14\nCc1cc2c3ccccc3ccc2c4ccccc14\n\n","Cc1cc2c(c3c1cccc3)ccc1c2cccc1","c1ccc3c(c1)ccc4c2ccccc2c(cc34)C","",1,"6-METHYLCHRYSENE(1)","1705-85-7(1)","2968","High Reliability","-"]
[1606,"Cc1c2c(ccc3ccccc23)cc4ccccc14\nCc1c2ccccc2cc3ccc4ccccc4c13\n\n","Cc1c2ccccc2cc2c1c1ccccc1cc2","c1ccc4c(c1)ccc3cc2ccccc2c(c34)C","",1,"12-METHYLBENZ(A)ANTHRACENE(1)","2422-79-9(1)","3198","High Reliability","-"]
[1607,"Cc1c2c(ccc3cc4ccccc4cc23)ccc1\nCc1cccc2ccc3cc4ccccc4cc3c12\n\n","Cc1cccc2c1c1cc3ccccc3cc1cc2","c3ccc4cc2c(ccc1cccc(c12)C)cc4(c3)","",1,"1-METHYLBENZ(A)ANTHRACENE(1)","2498-77-3(1)","3225","High Reliability","-"]
[1608,"Cc1ccc2cc3ccc4ccccc4c3cc2c1\n\n\n","Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2","c1ccc3c(c1)ccc2cc4ccc(cc4(cc23))C","",1,"10-METHYL-BENZ(A)ANTHRACENE(1)","2381-15-9(1)","3182","Medium Reliability","-"]
[1609,"Cc1cc2c(cc1)cc3c(ccc4ccccc34)c2\n\n\n","Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1","c1ccc3c(c1)ccc2cc4cc(ccc4(cc23))C","",1,"9-METHYLBENZ(A)ANTHRACENE(1)","2381-16-0(1)","3183","High Reliability","-"]
[1610,"NC(=O)c1nn(c(n1)-c2ccccc2)-c3cc(COCC(F)(F)C(F)(F)F)c(Cl)cc3\nNC(=O)c1nn(-c2ccc(Cl)c(COCC(F)(F)C(F)(F)F)c2)c(n1)-c3ccccc3\n\n","Clc1ccc(cc1COCC(C(F)(F)F)(F)F)n1nc(nc1c1ccccc1)C(=O)N","O=C(N)c2nc(c1ccccc1)n(n2)c3ccc(c(c3)COCC(F)(F)C(F)(F)F)Cl","",1,"Flupoxam(1)","119126-15-7(1)","5631","High Reliability","-"]
[1611,"Cn1cc(c(=O)c(c1)-c2cc(ccc2)C(F)(F)F)-c3ccccc3\n\n\n","Cn1cc(c2cccc(c2)C(F)(F)F)c(=O)c(c1)c1ccccc1","O=C1C(=CN(C=C1c2cccc(c2)C(F)(F)F)C)c3ccccc3","",1,"FLURIDONE(1)","59756-60-4(1)","4975","High Reliability","-"]
[1612,"Oc1ccc(cc1)C(c2ccc(O)cc2)=C3C=CC(=O)C=C3\n\n\n","O=C1C=CC(=C(c2ccc(cc2)O)c2ccc(cc2)O)C=C1","O=C1C=CC(C=C1)=C(c2ccc(O)cc2)c3ccc(O)cc3","",1,"ROSOLIC ACID(1)","603-45-2(1)","2375","Medium Reliability","-"]
[1613,"CCOC(=O)C(C)OC(=O)c1c(ccc(Oc2c(Cl)cc(cc2)C(F)(F)F)c1)[N+]([O-])=O\nCCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O\n\n","CCOC(=O)C(OC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F)C","O=C(OC(C(=O)OCC)C)c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-]","",1,"LACTOFEN(1)","77501-63-4(1)","5240","High Reliability","-"]
[1614,"OC(c1ccccc1)c2c(NC(=O)c3ccncc3)ccc(Cl)c2\nOC(c1ccccc1)c2cc(Cl)ccc2NC(=O)c3ccncc3\n\n","Clc1ccc(c(c1)C(c1ccccc1)O)NC(=O)c1ccncc1","O=C(Nc1ccc(cc1C(O)c2ccccc2)Cl)c3ccncc3","",1,"Inabenfide(1)","82211-24-3(1)","5277","High Reliability","-"]
[1615,"CC(=O)CC(c1ccc(Cl)cc1)c2c(O)c3c(oc2=O)cccc3\nCC(=O)CC(c1ccc(Cl)cc1)c2c(O)oc3ccccc3c2=O\n\n","CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccc(cc1)Cl","O=C1Oc3ccccc3(C(O)=C1C(c2ccc(cc2)Cl)CC(=O)C)","",1,"COUMACHLOR(1)","81-82-3(1)","510","High Reliability","-"]
[1616,"Fc1cc2c(cc1N3C(=O)C4=C(CCCC4)C3=O)N(CC#C)C(=O)CO2\n\n\n","C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2","O=C1C4=C(C(=O)N1c3cc2c(OCC(=O)N2CC#C)cc3(F))CCCC4","",1,"Flumioxazin(1)","103361-09-7(1)","5480","High Reliability","-"]
[1617,"OC(=O)CN(CC(O)=O)Cc1cc2c(c(O)c1O)C(=O)c3ccccc3C2=O\n\n\n","OC(=O)CN(Cc1cc2c(c(c1O)O)C(=O)c1c(C2=O)cccc1)CC(=O)O","O=C(O)CN(CC(=O)O)Cc1cc2C(=O)c3ccccc3(C(=O)c2(c(O)c1(O)))","",1,"Alizarin complexone(1)","3952-78-1(1)","3448","High Reliability","-"]
[1618,"Cn1nc(C)c(C(=O)c2c(Cl)cc(Cl)cc2)c1OS(=O)(=O)c3ccc(C)cc3\n[O-]C(=O)c1cc[nH]n1\nCn1nc(C)c(C(=O)c2ccc(Cl)cc2Cl)c1OS(=O)(=O)c3ccc(C)cc3\n","Cc1ccc(cc1)S(=O)(=O)Oc1n(C)nc(c1C(=O)c1ccc(cc1Cl)Cl)C","O=C(c1ccc(cc1Cl)Cl)c3c(nn(c3(OS(=O)(=O)c2ccc(cc2)C))C)C","",1,"pyrazolate(1)","58011-68-0(1)","4954","High Reliability","Name verified in PubChem"]
[1619,"COCC(=NOCC(=O)OC)c1c(ccc(Oc2c(Cl)cc(cc2)C(F)(F)F)c1)[N+]([O-])=O\n\n\n","COCC(=NOCC(=O)OC)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F","O=C(OC)CON=C(c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-])COC","",1,"akh-7088(1)","104459-82-7(1)","5490","Medium Reliability","Stereochemistry removed, Name verified in PubChem"]
[1620,"COc1cc2c(cc1)n(C(=O)c3ccc(Cl)cc3)c(C)c2CC(O)=O\nCOc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3\n\n","COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C","O=C(O)Cc3c1cc(OC)ccc1n(C(=O)c2ccc(cc2)Cl)c3C","",1,"INDOMETHACIN(1)","53-86-1(1)","74","High Reliability","-"]
[1621,"OC(c1ccccc1)(c2ccccc2)c3ccccc3\n\n\n","OC(c1ccccc1)(c1ccccc1)c1ccccc1","OC(c1ccccc1)(c2ccccc2)c3ccccc3","",1,"TRIPHENYLCARBINOL(1)","76-84-6(1)","405","High Reliability","-"]
[1622,"CC(=O)CC(c1ccccc1)c2c(O)c3ccccc3oc2=O\nCC(=O)CC(c1ccccc1)c2c(O)oc3ccccc3c2=O\n\n","CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1","O=C1Oc3ccccc3(C(O)=C1C(c2ccccc2)CC(=O)C)","",1,"WARFARIN(1)","81-81-2(1)","509","High Reliability","-"]
[1623,"CC1COC(Cn2cncn2)(O1)c3c(Cl)cc(Oc4ccc(Cl)cc4)cc3\nCC1COC(Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl\n\n","CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl","n1cnn(c1)CC2(OCC(O2)C)c4ccc(Oc3ccc(cc3)Cl)cc4Cl","",1,"Difenoconazole(1)","119446-68-3(1)","5633","High Reliability","-"]
[1624,"CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1\n\n\n","CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C","O=C(OCC)C(Oc3ccc(Oc1nc2ccc(cc2(nc1))Cl)cc3)C","",2,"QUIZALOFOP-ETHYL(1), QUIZALOFOP-P-ETHYL(1)","76578-14-8(1), 100646-51-3(1)","5230, 5450","High Reliability","Stereochemistry removed"]
[1625,"OCC(O)COC(=O)c1c(Nc2c3ccc(Cl)cc3ncc2)cccc1\nOCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23\n\n","OCC(COC(=O)c1ccccc1Nc1ccnc2c1ccc(c2)Cl)O","O=C(OCC(O)CO)c3ccccc3(Nc2ccnc1cc(ccc12)Cl)","",1,"Glafenine(1)","3820-67-5(1)","3438","High Reliability","-"]
[1626,"Clc1ccc(CCC(Cn2cncn2)(C#N)c3ccccc3)cc1\n\n\n","N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl","N#CC(c1ccccc1)(Cn2ncnc2)CCc3ccc(cc3)Cl","",1,"Fenbuconazole(1)","114369-43-6(1)","5580","High Reliability","-"]
[1627,"CC(Oc1cc2ccccc2cc1)C(O)=Nc3ccccc3\nCC(Oc1ccc2ccccc2c1)C(=O)Nc3ccccc3\n\n","CC(C(=Nc1ccccc1)O)Oc1ccc2c(c1)cccc2","OC(=Nc1ccccc1)C(Oc2ccc3ccccc3(c2))C","",1,"Naproanilide(1)","52570-16-8(1)","4836","High Reliability","-"]
[1628,"CC(=O)CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3\n\n\n","CC(=O)CCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1","O=C3N(c1ccccc1)N(c2ccccc2)C(=O)C3CCC(=O)C","",1,"Kebuzone(1)","853-34-9(1)","2717","High Reliability","-"]
[1629,"CCOCCOC(=O)C(C)Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1\n\n\n","CCOCCOC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C","O=C(OCCOCC)C(Oc2ccc(Oc1ncc(cc1Cl)C(F)(F)F)cc2)C","",1,"HALOXYFOP-ETOTYL(1)","87237-48-7(1)","5317","High Reliability","-"]
[1630,"CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(Cl)c(F)cc2\nCC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2\n\n","CC(OC(=O)C(N(C(=O)c1ccccc1)c1ccc(c(c1)Cl)F)C)C","O=C(OC(C)C)C(N(C(=O)c1ccccc1)c2ccc(F)c(c2)Cl)C","",3,"FLAMPROP-ISOPROPYL(1), Flamprop-M-isopropyl(2)","52756-22-6(1), 57973-67-8(1), 63782-90-1(1)","4862, 4952, 5027","High Reliability","Stereochemistry removed"]
[1631,"CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1\n\n\n","CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C","O=C(OCCCC)C(Oc2ccc(Oc1ncc(cc1)C(F)(F)F)cc2)C","",2,"Fluazifop-P-butyl(1), fluazifop-butyl(1)","79241-46-6(1), 69806-50-4(1)","5252, 5131","Medium Reliability","Stereochemistry removed, Name verified in PubChem"]
[1632,"CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3\n\n\n","CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1","O=C3N(c1ccccc1)N(c2ccccc2)C(=O)C3CCCC","",1,"PHENYLBUTAZONE(1)","50-33-9(1)","19","High Reliability","-"]
[1633,"CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3\n\n\n","CCCCC1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1","O=C3N(c1ccccc1)N(c2ccc(O)cc2)C(=O)C3CCCC","",1,"OXYPHENBUTAZONE(1)","129-20-4(1)","1490","High Reliability","-"]
[1634,"CCCCOC(=O)c1c(cccc1)C(=O)OCc2ccccc2\nCCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2\n\n","CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1","O=C(OCc1ccccc1)c2ccccc2(C(=O)OCCCC)","",1,"BUTYL BENZYL PHTHALATE(1)","85-68-7(1)","560","High Reliability","-"]
[1635,"Clc1ccc(CN(C2CCCC2)C(=O)Nc3ccccc3)cc1\n\n\n","Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1","O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3","",1,"PENCYCURON(1)","66063-05-6(1)","5058","High Reliability","-"]
[1636,"CN(C)CCC=C1c2c(COc3c1cccc3)cccc2\n[H+].[Cl-].CN(C)CCC=C1c2ccccc2COc3ccccc13\nCN(C)CCC=C1c2ccccc2COc3ccccc13\n","CN(CCC=C1c2ccccc2OCc2c1cccc2)C","O3c1ccccc1C(=CCCN(C)C)c2ccccc2C3","",1,"DOXEPIN(1)","1668-19-5(1)","2956","High Reliability","Differences in counterions, Stereochemistry removed"]
[1637,"COC1=CC=C2C3Cc4c5c(OC1C25CCN3C)c(OC)cc4\nCOC1=CC=C2C3Cc4ccc(OC)c5OC1C2(CCN3C)c45\n\n","COC1=CC=C2C34C1Oc1c4c(CC2N(CC3)C)ccc1OC","O(c5ccc4c1c5(OC3C(OC)=CC=C2C(N(C)CCC123)C4))C","",1,"PARAMORPHINE(1)","115-37-7(1)","1282","High Reliability","Stereochemistry removed"]
[1638,"OC(C1CC2CCN1CC2C=C)c3ccnc4c3cccc4\nOC(C1CC2CCN1CC2C=C)c3ccnc4ccccc34\n[H]C1(CC2CCN1CC2C=C)C(O)c3c4ccccc4ncc3\nOC(C1CC2CCN1CC2C=C)c3ccnc4ccccc34","C=CC1CN2CCC1CC2C(c1ccnc2c1cccc2)O","OC(c2ccnc1ccccc12)C3N4CCC(C3)C(C=C)C4","",2,"CINCHONINE(1), CINCHONIDINE(1)","118-10-5(1), 485-71-2(1)","1317, 1862","High Reliability","Stereochemistry removed"]
[1639,"CCN(C(=O)Oc1cccc(NC(=O)OC(C)C)c1)c2ccccc2\n\n\n","CCN(c1ccccc1)C(=O)Oc1cccc(c1)NC(=O)OC(C)C","O=C(OC(C)C)Nc2cccc(OC(=O)N(c1ccccc1)CC)c2","",1,"Phenisopham(1)","57375-63-0(1)","4946","High Reliability","-"]
[1640,"CN1CCCC(CN2c3c(Sc4c2cccc4)cccc3)C1\nCN1CCCC(C1)CN2c3ccccc3Sc4ccccc24\n[H+].[Cl-].CN1CCCC(C1)CN2c3ccccc3Sc4ccccc24\n","CN1CCCC(C1)CN1c2ccccc2Sc2c1cccc2","c1ccc3c(c1)N(c2ccccc2S3)CC4CN(C)CCC4","",1,"Mepazine(1)","60-89-9(1)","196","Medium Reliability","-"]
[1641,"CC12C3C(C(O)=O)C45CC(=C)C(O)(C4)CCC5C3(OC1=O)C=CC2O\n\n\n","OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O","O=C(O)C4C2C1(OC(=O)C2(C)(C(O)C=C1))C5CCC3(O)(C(=C)CC45(C3))","",1,"GIBBERELLIC ACID(1)","77-06-5(1)","410","High Reliability","Stereochemistry removed"]
[1642,"CCCCCCCCSC(=O)Oc1cc(Cl)nnc1-c2ccccc2\n\n\n","CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1","O=C(Oc1cc(nnc1c2ccccc2)Cl)SCCCCCCCC","",1,"Pyridate(1)","55512-33-9(1)","4913","High Reliability","-"]
[1643,"CN(C=Nc1c(C)cc(C)cc1)C=Nc2c(C)cc(C)cc2\nCN(C=Nc1ccc(C)cc1C)C=Nc2ccc(C)cc2C\n\n","CN(C=Nc1ccc(cc1C)C)C=Nc1ccc(cc1C)C","N(=CN(C=Nc1ccc(cc1C)C)C)c2ccc(cc2C)C","",1,"AMITRAZ(1)","33089-61-1(1)","4554","High Reliability","Stereochemistry removed"]
[1644,"CCOc1c2OC3C(O)C=CC4C5Cc(cc1)c2C34CCN5C\nCCOc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C\n\n","CCOc1ccc2c3c1OC1C43CCN(C(C2)C4C=CC1O)C","OC1C=CC5C4N(C)CCC25(c3c(OC12)c(OCC)ccc3C4)","",1,"DIONINE(1)","76-58-4(1)","401","High Reliability","Stereochemistry removed"]
[1645,"CN(C)CCCN1c2ccccc2CCc3ccccc13\n\n\n","CN(CCCN1c2ccccc2CCc2c1cccc2)C","c1ccc3c(c1)N(c2ccccc2CC3)CCCN(C)C","",1,"IMIPRAMINE(1)","50-49-7(1)","25","High Reliability","-"]
[1646,"CCC1CN2CCC1CC2C(O)c3ccnc4ccccc34\n\n\n","CCC1CN2CCC1CC2C(c1ccnc2c1cccc2)O","OC(c2ccnc1ccccc12)C3N4CCC(C3)C(C4)CC","",1,"Hydrocinchonine(1)","485-65-4(1)","1861","High Reliability","Stereochemistry removed"]
[1647,"OC12CCOC1(Nc3ccccc23)C4CC5CCN4CC5C=C\n\n\n","C=CC1CN2CCC1CC2C12OCCC2(O)c2c(N1)cccc2","OC14(c5ccccc5(NC4(OCC1)(C2N3CCC(C2)C(C=C)C3)))","",1,"QUINAMINE(1)","464-85-7(1)","1816","High Reliability","Stereochemistry removed"]
[1648,"O=C(C1CCCCC1)N2CC3N(CCc4c3cccc4)C(=O)C2\nO=C1CN(CC2N1CCc3ccccc23)C(=O)C4CCCCC4\n\n","O=C(N1CC(=O)N2C(C1)c1ccccc1CC2)C1CCCCC1","O=C4N2CCc1ccccc1C2CN(C(=O)C3CCCCC3)C4","",1,"Praziquantel(1)","55268-74-1(1)","4904","High Reliability","-"]
[1649,"CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(N)=O\n\n\n","CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=O)N)O)O","O=C(N)c1cc(ccc1(O))C(O)CNC(C)CCc2ccccc2","",1,"LABETALOL(1)","36894-69-6(1)","4640","High Reliability","-"]
[1650,"COc1cc2c(Sc3c(cccc3)N2CC(C)CN(C)C)cc1\nCOc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1\n\n","COc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1","O(c1ccc3c(c1)N(c2ccccc2S3)CC(C)CN(C)C)C","",1,"METHOTRIMEPRAZINE(1)","60-99-1(1)","197","High Reliability","Stereochemistry removed"]
[1651,"CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2=O\n\n\n","O=C1CCC2(C(=C1)CCC1C2C(=O)CC2(C1CCC2=O)C)C","O=C4C=C3CCC1C(C(=O)CC2(C(=O)CCC12)(C))C3(C)CC4","",1,"Andrenosterone(1)","382-45-6(1)","1770","Medium Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1652,"CC(C)=CC1C(C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C\n\n\n","C#CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C","O=C(OC1C(=C(C(=O)C1)CC#C)C)C2C(C=C(C)C)C2(C)(C)","",1,"PRALLETHRIN(1)","23031-36-9(1)","4334","High Reliability","Stereochemistry removed"]
[1653,"CC=CC(=O)OC1CC2OC3C=C(C)C(=O)CC3(C)C1(C)C24CO4\n\n\n","CC=CC(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3","O=C(OC2CC4OC1C=C(C(=O)CC1(C)C2(C)C34(OC3))C)C=CC","",1,"TRICHOTHECIN(1)","6379-69-7(1)","3748","High Reliability","Stereochemistry removed"]
[1654,"CC(C)(C)n1ncc(SCc2ccc(cc2)C(C)(C)C)c(Cl)c1=O\n\n\n","O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C","O=C1C(=C(C=NN1C(C)(C)C)SCc2ccc(cc2)C(C)(C)C)Cl","",1,"PYRIDABEN(1)","96489-71-3(1)","5403","High Reliability","-"]
[1655,"CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C\n\n\n","O=C(C1C(C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2","O=C(OCN1C(=O)C2=C(C1(=O))CCCC2)C3C(C=C(C)C)C3(C)(C)","",1,"PHTHALTHRIN(1)","7696-12-0(1)","3871","High Reliability","Stereochemistry removed"]
[1656,"C1CCC(CC1)N(Sc2nc3c(s2)cccc3)C4CCCCC4\nC1CCC(CC1)N(Sc2sc3ccccc3n2)C4CCCCC4\n\n","C1CCC(CC1)N(C1CCCCC1)Sc1nc2c(s1)cccc2","n2c1ccccc1sc2SN(C3CCCCC3)C4CCCCC4","",1,"2-Benzothiazolesulfenamide, N,N-dicyclohexyl-(1)","4979-32-2(1)","3555","High Reliability","-"]
[1657,"COC(=O)c1ccccc1OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O\n\n\n","COC(=O)c1ccccc1OC1OC(COC2OCC(C(C2O)O)O)C(C(C1O)O)O","O=C(OC)c3ccccc3(OC2OC(COC1OCC(O)C(O)C1(O))C(O)C(O)C2(O))","",1,"MONOTROPITOSIDE(1)","490-67-5(1)","1875","High Reliability","Stereochemistry removed"]
[1658,"[H]C12CCC(=O)C1(C)CCC3([H])C2([H])CCC4=CC(=O)CCC34C\nCC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2=O\n\n","O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C","O=C3C=C2CCC1C4CCC(=O)C4(C)(CCC1C2(C)CC3)","",1,"ANDROSTENEDIONE(1)","63-05-8(1)","216","High Reliability","Stereochemistry removed"]
[1659,"CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C\n\n\n","C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C","O=C(OC1C(=C(C(=O)C1)CC=C)C)C2C(C=C(C)C)C2(C)(C)","",1,"ALLETHRIN(1)","584-79-2(1)","2245","High Reliability","-"]
[1660,"CC(C)(C)c1ccc(OC2CCCCC2OS(=O)OCC#C)cc1\n\n\n","C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C","O=S(OCC#C)OC2CCCCC2(Oc1ccc(cc1)C(C)(C)C)","",1,"PROPARGITE(1)","2312-35-8(1)","3167","High Reliability","-"]
[1661,"CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O\nCC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2O\n\n","OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C","O=C2CCC3C4CC=C1CC(O)CCC1(C)C4(CCC23(C))","",2,"PRASTERONE(1), TESTOSTERONE(1)","53-43-0(1), 58-22-0(1)","72, 147","High Reliability","Stereochemistry removed"]
[1662,"CC12CCC3C(CCC4CC(O)CCC34C)C1CCC2=O\n[H]C12CCC(=O)C1(C)CCC3([H])C2([H])CCC4([H])CC(O)CCC34C\nCC12CCC(O)CC1CCC3C2CCC4(C)C3CCC4=O\n[H]C12CCC(O)C1(C)CCC3([H])C2([H])CCC4([H])CC(=O)CCC34C, CC12CCC3C(CCC4CC(=O)CCC34C)C1CCC2O","OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2=O)C)C","O=C2CCC3C4CCC1CC(O)CCC1(C)C4(CCC23(C))","",3,"ANDROSTERONE(1), Epiandrosterone(1), ANDROSTAN-3-ONE, 17-HYDROXY-, (5ALPHA,17BETA)-(1)","53-41-8(1), 481-29-8(1), 521-18-6(1)","71, 1852, 1982","High Reliability","Stereochemistry removed"]
[1663,"CC12CCC(O)CC1CCC3C4CCC(=O)C4(C)CC(O)C23\n\n\n","OC1CCC2(C(C1)CCC1C2C(O)CC2(C1CCC2=O)C)C","O=C2CCC3C4CCC1CC(O)CCC1(C)C4(C(O)CC23(C))","",1,"3,11-Dihydroxy-androstan-17-one(1)","514-17-0(1)","1966","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1664,"CCCCOCCOCCOCc1cc2c(OCO2)cc1CCC\n[O-]CCCCCc1ccc2OCOc2c1\n\n","CCCCOCCOCCOCc1cc2OCOc2cc1CCC","O1c2cc(c(cc2(OC1))CCC)COCCOCCOCCCC","",1,"piperonylbutoxide(1)","51-03-6(1)","38","High Reliability","Name verified in PubChem"]
[1665,"CC12CCC3C(CCC4CC5SC5CC34C)C1CCC2O\n\n\n","OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2","OC2CCC3C4CCC1CC5C(CC1(C)C4(CCC23(C)))S5","",1,"Epitiostanol(1)","2363-58-8(1)","3176","High Reliability","Stereochemistry removed"]
[1666,"CCCCCCCCCCCCOC(=O)c1ccc(N)cc1\n\n\n","CCCCCCCCCCCCOC(=O)c1ccc(cc1)N","O=C(OCCCCCCCCCCCC)c1ccc(N)cc1","",1,"BENZOIC ACID, 4-AMINO-, DODECYL ESTER(1)","20043-94-1(1)","4247","High Reliability","Checked on PubChem, Checked on ChemID"]
[1667,"COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C\n\n\n","COC(CCCC(CC=CC(=CC(=O)OC(C)C)C)C)(C)C","O=C(OC(C)C)C=C(C=CCC(C)CCCC(OC)(C)C)C","",1,"METHOPRENE(1)","40596-69-8(1)","4733","High Reliability","Stereochemistry removed"]
[1668,"CCCCCCCCCCCCCCCCN=C(O)C(C)O\nCCCCCCCCCCCCCCCCNC(=O)C(C)O\n\n","CCCCCCCCCCCCCCCCN=C(C(O)C)O","OC(=NCCCCCCCCCCCCCCCC)C(O)C","",1,"Propanamide, N-hexadecyl-2-hydroxy-(1)","5323-53-5(1)","3581","High Reliability","-"]
[1669,"Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(Oc3ncc(cc3Cl)C(F)(F)F)c(Cl)cc2\n\n\n","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Oc1ncc(cc1Cl)C(F)(F)F)Cl","O=C(NC(=O)c1c(F)cccc1(F))Nc3ccc(c(Oc2ncc(cc2Cl)C(F)(F)F)c3)Cl","",1,"FLUAZURON(1)","86811-58-7(1)","5314","High Reliability","-"]
[1670,"c1cc2cc-3c(cc2cc1)-c4c5c3cccc5ccc4\nc1ccc2cc3-c4cccc5cccc(-c3cc2c1)c45\n\n","c1ccc2c(c1)cc1c(c2)c2c3c1cccc3ccc2","c1ccc2cc3c5cccc4cccc(c3(cc2(c1)))c45","",1,"BENZO(K)FLUORANTHENE(1)","207-08-9(1)","1653","High Reliability","-"]
[1671,"c1ccc-2c(c1)-c3cccc4c5ccccc5cc2c34\nc1ccc2c(c1)cc3-c4ccccc4-c5cccc2c35\n\n","c1ccc2c(c1)c1cc3ccccc3c3c1c2ccc3","c1ccc3c(c1)cc5c2ccccc2c4cccc3c45","",1,"BENZO(B)FLUORANTHENE(1)","205-99-2(1)","1651","High Reliability","-"]
[1672,"c1cc2cc3ccc4cccc5ccc(c2cc1)c3c45\nc1ccc2c(c1)cc3ccc4cccc5ccc2c3c45\n\n","c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3","c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45","",1,"BENZO(A)PYRENE(1)","50-32-8(1)","18","High Reliability","-"]
[1673,"c1cc2c(cc1)c-3c(cc2)-c4cccc5cccc3c45\nc1ccc2c(c1)ccc3-c4cccc5cccc(c45)-c23\n\n","c1ccc2c(c1)ccc1c2c2cccc3c2c1ccc3","c1ccc4c(c1)ccc5c3cccc2cccc(c23)c45","",1,"BENZO(J)FLUORANTHENE(1)","205-82-3(1)","1650","High Reliability","-"]
[1674,"c1cc2c3cccc4ccc5cccc(c2cc1)c5c34\nc1ccc2c(c1)c3cccc4ccc5cccc2c5c34\n\n","c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3","c1ccc2c(c1)c5cccc4ccc3cccc2c3c45","",1,"BENZO(E)PYRENE(1)","192-97-2(1)","1643","High Reliability","-"]
[1675,"c1cc2c3c(c1)c4cccc5c4c(ccc5)c3ccc2\nc1cc2cccc3c4cccc5cccc(c(c1)c23)c45\n\n","c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2","c1cc2cccc3c5cccc4cccc(c(c1)c23)c45","",1,"PERYLENE(1)","198-55-0(1)","1647","High Reliability","-"]
[1676,"Oc1cc2c(cc1)C3(OC(=O)c4c3cccc4)c5c(O2)cc(O)cc5\nOc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1\n\n","Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O","O=C4OC2(c3ccc(O)cc3(Oc1cc(O)ccc12))c5ccccc45","",1,"FLUORESCEIN(1)","518-45-6(1)","1978","Medium Reliability","-"]
[1677,"[nH]1c2c(ccc3ccccc23)c4c1c5ccccc5cc4\n[nH]1c2c3ccccc3ccc2c4ccc5ccccc5c14\n\n","c1ccc2c(c1)c1[nH]c3c(c1cc2)ccc1c3cccc1","c1ccc3c(c1)ccc4c5ccc2ccccc2c5([nH]c34)","",1,"13H-DIBENZO(A,I)CARBAZOLE(1)","239-64-5(1)","1668","Medium Reliability","-"]
[1678,"[nH]1c2c(c3c1ccc4ccccc34)c5ccccc5cc2\n[nH]1c2ccc3ccccc3c2c4c1ccc5ccccc45\n\n","c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1","c1ccc5c(c1)ccc4[nH]c3ccc2ccccc2c3c45","",1,"7H-DIBENZO(C,G)CARBAZOLE(1)","194-59-2(1)","1645","High Reliability","-"]
[1679,"N1c2c(Sc3c1c4ccccc4cc3)ccc5ccccc25\nN1c2c(Sc3ccc4ccccc4c13)ccc5ccccc25\n\n","c1ccc2c(c1)c1Nc3c(Sc1cc2)ccc1c3cccc1","c1ccc5c(c1)ccc3c5(Nc2c4ccccc4(ccc2S3))","",1,"14H-Dibenzo[a,j]phenothiazine(1)","224-62-4(1)","1660","High Reliability","-"]
[1680,"N1c2c(Sc3c1ccc4ccccc34)c5ccccc5cc2\nN1c2ccc3ccccc3c2Sc4c1ccc5ccccc45\n\n","c1ccc2c(c1)c1Sc3c(Nc1cc2)ccc1c3cccc1","c1ccc5c(c1)ccc4Nc3ccc2ccccc2c3Sc45","",1,"7H-Dibenzo[c,h]phenothiazine(1)","224-72-6(1)","1661","High Reliability","-"]
[1681,"C1Cc2c3ccc4ccccc4c3cc5cccc1c25\n\n\n","c1ccc2c(c1)ccc1c2cc2cccc3c2c1CC3","c1ccc5c(c1)ccc3c5(cc2cccc4c2c3CC4)","",1,"CHOLANTHRENE(1)","479-23-2(1)","1842","Medium Reliability","-"]
[1682,"[Na+].[Na+].[Na+].Oc1c(N=Nc2c3ccccc3c(cc2)S([O-])(=O)=O)c4c(cc(cc4cc1)S([O-])(=O)=O)S([O-])(=O)=O\n[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc2C=CC(=O)C(=NNc3ccc(c4ccccc34)S([O-])(=O)=O)c2c(c1)S([O-])(=O)=O\n\n","Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)c4cc3ccc(O)c(N=Nc1ccc(c2ccccc12)S(=O)(=O)O)c3c(c4)S(=O)(=O)O","",1,"ACID RED 18(1)","2611-82-7(1)","3254","High Reliability","Stereochemistry removed"]
[1683,"Oc1ccc(cc1)C2(OC(=O)c3c2cccc3)c4ccc(O)cc4\nOc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4\n\n","Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O","O=C3OC(c1ccc(O)cc1)(c2ccc(O)cc2)c4ccccc34","",1,"PHENOLPHTHALEIN(1)","77-09-8(1)","411","High Reliability","-"]
[1684,"O=C(Oc1ccccc1)c2ccccc2C(=O)Oc3ccccc3\n\n\n","O=C(c1ccccc1C(=O)Oc1ccccc1)Oc1ccccc1","O=C(Oc1ccccc1)c3ccccc3(C(=O)Oc2ccccc2)","",1,"DIPHENYL PHTHALATE(1)","84-62-8(1)","542","High Reliability","-"]
[1685,"NC1C2CN(CC12)c3c(F)cc4c(=O)c(cn(-c5ccc(F)cc5F)c4n3)C(O)=O\nNC1C2CN(CC12)c3nc4n(cc(C(O)=O)c(=O)c4cc3F)-c5ccc(F)cc5F\n\n","NC1C2C1CN(C2)c1nc2c(cc1F)c(=O)c(cn2c1ccc(cc1F)F)C(=O)O","O=C(O)C1=CN(c2nc(c(F)cc2(C1(=O)))N3CC4C(N)C4(C3))c5ccc(F)cc5(F)","",1,"Trovafloxacin(1)","147059-72-1(1)","5724","High Reliability","Stereochemistry removed"]
[1686,"Cc1c(C)c2c(ccc3ccccc23)c4ccccc14\nCc1c(C)c2c3ccccc3ccc2c4ccccc14\n\n","Cc1c2ccccc2c2c(c1C)c1ccccc1cc2","c1ccc3c(c1)ccc4c2ccccc2c(c(c34)C)C","",1,"5,6-DIMETHYLCHRYSENE(1)","3697-27-6(1)","3416","High Reliability","-"]
[1687,"Cc1cc2cc3ccccc3cc2c4cccc(C)c14\nCc1cccc2c3cc4ccccc4cc3cc(C)c12\n\n","Cc1cccc2c1c(C)cc1c2cc2c(c1)cccc2","c1ccc2cc4c(cc2(c1))cc(c3c4(cccc3C))C","",1,"BENZ(A)ANTHRACENE-4,5-DIMETHYLENE(1)","18429-70-4(1)","4195","Medium Reliability","-"]
[1688,"CCc1c2ccc3ccccc3c2cc4ccccc14\nCCc1c2ccccc2cc3c1ccc4ccccc34\n\n","CCc1c2ccc3c(c2cc2c1cccc2)cccc3","c1ccc4c(c1)ccc3c4(cc2ccccc2c3CC)","",1,"7-ETHYLBENZ(A)ANTHRACENE(1)","3697-30-1(1)","3417","High Reliability","-"]
[1689,"Cn1nc(C)c(C(=O)c2c(Cl)cc(Cl)cc2)c1OCC(=O)c3ccccc3\nCn1nc(C)c(C(=O)c2ccc(Cl)cc2Cl)c1OCC(=O)c3ccccc3\n\n","Clc1ccc(c(c1)Cl)C(=O)c1c(C)nn(c1OCC(=O)c1ccccc1)C","O=C(c1ccc(cc1Cl)Cl)c3c(nn(c3(OCC(=O)c2ccccc2))C)C","",1,"Pyrazoxyfen(1)","71561-11-0(1)","5163","High Reliability","-"]
[1690,"OC(=O)c1c(cccc1)C(c2ccc(O)cc2)c3ccc(O)cc3\nOc1ccc(cc1)C(c2ccc(O)cc2)c3ccccc3C(O)=O\n\n","Oc1ccc(cc1)C(c1ccccc1C(=O)O)c1ccc(cc1)O","O=C(O)c1ccccc1C(c2ccc(O)cc2)c3ccc(O)cc3","",1,"Benzoic acid, 2- bis(4-hydroxyphenyl)methyl -(1)","81-90-3(1)","511","Medium Reliability","-"]
[1691,"CCC1(CC2(CO2)c3cc(Cl)ccc3)C(=O)c4ccccc4C1=O\n\n\n","CCC1(CC2(CO2)c2cccc(c2)Cl)C(=O)c2c(C1=O)cccc2","O=C1c4ccccc4(C(=O)C1(CC)CC2(OC2)(c3cccc(c3)Cl))","",1,"INDANOFAN(1)","133220-30-1(1)","5681","High Reliability","Checked on PubChem, Checked on ChemID"]
[1692,"CN1c2ccccc2C(O)(c3ccccc3)c4ccccc14\n\n\n","CN1c2ccccc2C(c2c1cccc2)(O)c1ccccc1","OC4(c1ccccc1)(c2ccccc2N(c3ccccc34)C)","",1,"9-Acridinol, 9,10-dihydro-10-methyl-9-phenyl-(1)","6321-72-8(1)","3741","High Reliability","-"]
[1693,"CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2nc3ccc(cc3s2)[N+]([O-])=O\n\n\n","N#CCCN(c1ccc(cc1)N=Nc1sc2c(n1)ccc(c2)[N+](=O)[O-])CCOC(=O)C","N#CCCN(c3ccc(N=Nc2nc1ccc(cc1s2)[N+](=O)[O-])cc3)CCOC(=O)C","",1,"AZO DYE RA(1)","68133-69-7(1)","5097","Medium Reliability","-"]
[1694,"CC1=C(C(=O)N(CO1)C(C)(C)c2cc(Cl)cc(Cl)c2)c3ccccc3\n\n\n","Clc1cc(Cl)cc(c1)C(N1COC(=C(C1=O)c1ccccc1)C)(C)C","O=C2C(c1ccccc1)=C(OCN2C(c3cc(cc(c3)Cl)Cl)(C)C)C","",1,"OXAZICLOMEFONE(1)","153197-14-9(1)","5727","High Reliability","Checked on PubChem, Checked on ChemID"]
[1695,"COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC\n\n\n","COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC","n2ccc1cc(OC)c(OC)cc1c2Cc3ccc(OC)c(OC)c3","",1,"PAPAVERINE(1)","58-74-2(1)","157","High Reliability","-"]
[1696,"CC(C)(C)c1ccc(CCOc2ncnc3c2cccc3)cc1\nCC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1\n\n","CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C","n1cnc3ccccc3(c1OCCc2ccc(cc2)C(C)(C)C)","",1,"FENAZAQUIN(1)","120928-09-8(1)","5639","High Reliability","-"]
[1697,"[H]C12CCN(CC1C=C)C(C2)C(=O)c3c4cc(OC)ccc4ncc3\nCOc1ccc2nccc(C(=O)C3CC4CCN3CC4C=C)c2c1\n\n","C=CC1CN2CCC1CC2C(=O)c1ccnc2c1cc(OC)cc2","O=C(c2ccnc1ccc(OC)cc12)C3N4CCC(C3)C(C=C)C4","",1,"Quininone(1)","84-31-1(1)","539","Medium Reliability","-"]
[1698,"OCc1ccccc1OC2OC(COC(=O)c3ccccc3)C(O)C(O)C2O\n\n\n","OCc1ccccc1OC1OC(COC(=O)c2ccccc2)C(C(C1O)O)O","O=C(OCC2OC(Oc1ccccc1CO)C(O)C(O)C2(O))c3ccccc3","",1,"POPULIN(1)","99-17-2(1)","841","High Reliability","Stereochemistry removed"]
[1699,"CN(C)CCC=C1c2ccccc2CCc3c1cccc3\nCN(C)CCC=C1c2ccccc2CCc3ccccc13\n\n","CN(CCC=C1c2ccccc2CCc2c1cccc2)C","c1ccc3c(c1)C(=CCCN(C)C)c2ccccc2CC3","",1,"amitryptyline(1)","50-48-6(1)","24","Medium Reliability","Name verified in PubChem"]
[1700,"CC(C)(C)C(O)C(Oc1ccc(cc1)-c2ccccc2)n3cncn3\n\n\n","OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1","OC(C(Oc1ccc(cc1)c2ccccc2)n3ncnc3)C(C)(C)C","",1,"BITERTANOL(1)","55179-31-2(1)","4899","High Reliability","-"]
[1701,"COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(C)cccc2C\n\n\n","COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C","O=C(OC)C(N(C(=O)Cc1ccccc1)c2c(cccc2C)C)C","",1,"BENALAXYL(1)","71626-11-4(1)","5164","High Reliability","-"]
[1702,"CN1CCN(CCCN2c3ccccc3Sc4c2cc(Cl)cc4)CC1\nCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1\n\n","CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2","c1ccc3c(c1)N(c2cc(ccc2S3)Cl)CCCN4CCN(C)CC4","",1,"prochloroperazine(1)","58-38-8(1)","150","Medium Reliability","Name verified in PubChem"]
[1703,"CC(C1=C(CCN(C)C)Cc2ccccc12)c3ncccc3\n\n\n","CN(CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C","n1ccccc1C(C=3c2ccccc2CC=3CCN(C)C)C","",1,"Dimethindene(1)","5636-83-9(1)","3645","High Reliability","-"]
[1704,"[H]C1(CC2CCN1CC2C=C)C(O)c3ccnc4ccc(OC)cc34\nCOc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1\nOS(O)(=O)=O.[H]C1(CC2CCN1CC2C=C)C(O)c3ccnc4ccc(OC)cc34.[H]C1(CC2CCN1CC2C=C)C(O)c3ccnc4ccc(OC)cc34\nO.O.O.O.O.O.O.OS(O)(=O)=O.OS(O)(=O)=O.[H]C1(CC2CCN1CC2C=C)C(O)c3ccnc4ccc(OC)cc34, COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1.OS(O)(=O)=O, COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1.OP=O","C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O","OC(c2ccnc1ccc(OC)cc12)C3N4CCC(C3)C(C=C)C4","",4,"QUINIDINE(1), QUININE(1), QUININE BISULFATE(1), QUININE HYPOPHOSPHITE(1)","56-54-2(1), 130-95-0(1), 549-56-4(1), 6119-53-5(1)","101, 1495, 2120, 3703","High Reliability","Differences in counterions, Organic counterion, Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1705,"[H]C12CCC(O)(C#C)C1(C)CCC3([H])c4c(CCC23[H])cc(O)cc4\nCC12CCC3C(CCc4cc(O)ccc34)C1CCC2(O)C#C\n\n","C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O","C#CC3(O)(CCC2C4CCc1cc(O)ccc1C4(CCC23(C)))","",1,"ETHINYL ESTRADIOL(1)","57-63-6(1)","134","High Reliability","Stereochemistry removed"]
[1706,"C1COc2ccccc2OCCOCCOc3c(OCCO1)cccc3\n\n\n","O1CCOc2ccccc2OCCOCCOc2c(OCC1)cccc2","O1c3ccccc3(OCCOCCOc2ccccc2(OCCOCC1))","",1,"[3,3]DB18C6-DIBENZO CROWN ETHER(1)","14187-32-7(1)","4018","Medium Reliability","-"]
[1707,"CCC1C2CC3C4N(C)c5c(cccc5)C46CC(C2C6O)N3C1O\nCCC1C(O)N2C3CC1C4C(O)C5(CC24)C3N(C)c6ccccc56\n\n","CCC1C2CC3N(C1O)C1C2C(O)C2(C3N(C)c3c2cccc3)C1","OC1N5C3CC(C1(CC))C6C(O)C4(c2ccccc2N(C)C34)(CC56)","",1,"AJMALINE(1)","4360-12-7(1)","3483","High Reliability","Stereochemistry removed"]
[1708,"CCC1CN2CCC1CC2C(O)c3c4cc(OC)ccc4ncc3\nCCC1CN2CCC1CC2C(O)c3ccnc4ccc(OC)cc34\n\n","CCC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O","OC(c2ccnc1ccc(OC)cc12)C3N4CCC(C3)C(C4)CC","",1,"HYDROQUININE(1)","522-66-7(1)","1984","High Reliability","Stereochemistry removed"]
[1709,"CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C\n\n\n","C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12","O=C4C=C3CCC2C(CCC1(C)(C2(CCC1(O)(C#C))))C3CC4","",1,"Norethindrone(1)","68-22-4(1)","261","High Reliability","Stereochemistry removed"]
[1710,"O=C(OC1CCCCC1)c2c(cccc2)C(=O)OC3CCCCC3\nO=C(OC1CCCCC1)c2ccccc2C(=O)OC3CCCCC3\n\n","O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1","O=C(OC1CCCCC1)c3ccccc3(C(=O)OC2CCCCC2)","",1,"DICYCLOHEXYL PHTHALATE(1)","84-61-7(1)","541","High Reliability","-"]
[1711,"CCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2\n\n\n","CCCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1","O=P(Oc1ccccc1)(Oc2ccccc2)OCCCCCCCC","",1,"octyldiphenylphosphate(1)","115-88-8(1)","1290","Medium Reliability","Name verified in PubChem"]
[1712,"CCCCC(CC)COP(=O)(Oc1ccccc1)Oc2ccccc2\n\n\n","CCCCC(COP(=O)(Oc1ccccc1)Oc1ccccc1)CC","O=P(Oc1ccccc1)(Oc2ccccc2)OCC(CC)CCCC","",1,"2-ETHYLHEXYL DIPHENYL PHOSPHATE(1)","1241-94-7(1)","2880","High Reliability","-"]
[1713,"CCOCCc1c(C)c(C)c(OCCN=c2[nH]cnc(CC)c2Cl)cc1\nCCOCCc1ccc(OCCNc2ncnc(CC)c2Cl)c(C)c1C\n\n","CCOCCc1ccc(c(c1C)C)OCCN=c1[nH]cnc(c1Cl)CC","N2=CNC(=NCCOc1ccc(c(c1C)C)CCOCC)C(=C2CC)Cl","",1,"PYRIMIDIFEN(1)","105779-78-0(1)","5493","High Reliability","-"]
[1714,"CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2CCCC2C(O)=O\n\n\n","CCOC(=O)C(NC(C(=O)N1CCCC1C(=O)O)C)CCc1ccccc1","O=C(O)C2N(C(=O)C(NC(C(=O)OCC)CCc1ccccc1)C)CCC2","",1,"Enalapril(1)","75847-73-3(1)","5217","High Reliability","Stereochemistry removed"]
[1715,"CC(C)c1cc2c(cc1)C3(C)CCCC(C)(C3CC2)C(O)=O\nCC(C)c1ccc2c(CCC3C(C)(CCCC23C)C(O)=O)c1\n\n","OC(=O)C1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C","O=C(O)C2(C)(CCCC3(c1ccc(cc1CCC23)C(C)C)(C))","",1,"Dehydroabietic acid(1)","1740-19-8(1)","2976","High Reliability","Stereochemistry removed"]
[1716,"CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1\n\n\n","CCCCOc1nc2ccccc2c(c1)C(=O)NCCN(CC)CC","O=C(NCCN(CC)CC)c2cc(nc1ccccc12)OCCCC","",1,"DIBUCAINE(1)","85-79-0(1)","565","High Reliability","-"]
[1717,"CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(C)C\n\n\n","CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C","O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(CCC(=O)OCC)C(C)C","",1,"BENFURACARB(1)","82560-54-1(1)","5280","High Reliability","-"]
[1718,"CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(O)=O)C2CC1\n\n\n","CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C","O=C(O)C2(C)(CCCC3(C)(C1C(C=C(CC1)C(C)C)=CCC23))","",1,"Abietic acid(1)","514-10-3(1)","1965","High Reliability","Stereochemistry removed"]
[1719,"CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC\nCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC\n\n","CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC","O=C(OCCCCCC)c1ccccc1(C(=O)OCCCCCC)","",1,"DIHEXYL PHTHALATE(1)","84-75-3(1)","547","High Reliability","-"]
[1720,"CC(CN1CC(C)OC(C)C1)Cc2ccc(cc2)C(C)(C)C\n\n\n","CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C","O1C(C)CN(CC1C)CC(C)Cc2ccc(cc2)C(C)(C)C","",2,"Fenpropimorph(2)","67306-03-0(1), 67564-91-4(1)","5079, 5085","High Reliability","Stereochemistry removed"]
[1721,"CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC\n\n\n","CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC","O=C(OC(C(=O)OCCCC)(CC(=O)OCCCC)CC(=O)OCCCC)C","",1,"ACETYL TRIBUTYL CITRATE(1)","77-90-7(1)","426","High Reliability","-"]
[1722,"OCC1CC(NC2C=C(CO)C(O)C(O)C2O)C(O)C(O)C1OC3OC(CO)C(O)C(O)C3O\n\n\n","OCC1CC(NC2C=C(CO)C(C(C2O)O)O)C(C(C1OC1OC(CO)C(C(C1O)O)O)O)O","OCC3=CC(NC2CC(CO)C(OC1OC(CO)C(O)C(O)C1(O))C(O)C2(O))C(O)C(O)C3(O)","",1,"Validamycin(1)","37248-47-8(1)","4642","High Reliability","Stereochemistry removed"]
[1723,"CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC\nCCCCC(CC)COC(=O)C=CC([O-])=O\n\n","CCCCC(COC(=O)C=CC(=O)OCC(CCCC)CC)CC","O=C(OCC(CC)CCCC)C=CC(=O)OCC(CC)CCCC","",1,"2-ethylhexylfumarate(1)","141-02-6(1)","1560","High Reliability","Stereochemistry removed, Name verified in PubChem"]
[1724,"CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2\n\n\n","CCCCN(C(=O)N1CCOCC1)CCN(C(=O)N1CCOCC1)CCCC","O=C(N1CCOCC1)N(CCN(C(=O)N2CCOCC2)CCCC)CCCC","",1,"Dimorpholamine(1)","119-48-2(1)","1339","High Reliability","-"]
[1725,"CCCCCCCCCCCCCCCCCCCC\n\n\n","CCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCC","",1,"EICOSANE(1)","112-95-8(1)","1267","High Reliability","-"]
[1726,"Fc1cccc(F)c1C(=O)NC(=O)Nc2c(F)cc(Oc3c(Cl)cc(cc3)C(F)(F)F)cc2\n\n\n","O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F","O=C(NC(=O)c1c(F)cccc1(F))Nc3ccc(Oc2ccc(cc2Cl)C(F)(F)F)cc3(F)","",1,"Flufenoxuron(1)","101463-69-8(1)","5463","High Reliability","-"]
[1727,"c1ccc2c(ccc3nc4c(cc23)c5ccccc5cc4)c1\nc1ccc2c(ccc3c2cc4ccc5ccccc5c4n3)c1\nc1ccc2c(c1)ccc3nc4c(ccc5ccccc45)cc23\n","c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4","n3c5ccc1ccccc1c5(cc4ccc2ccccc2c34)","",1,"dibenz(a,h)acridine(1)","226-36-8(1)","1664","High Reliability","Name verified in PubChem"]
[1728,"Cc1cc2cccc3c2c4c(cc3)c5ccccc5cc14\nCc1cc2cccc3ccc4c5ccccc5cc1c4c23\n\n","Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3","c1ccc5c(c1)cc2c4c5(ccc3cccc(cc2C)c34)","",1,"BENZO[a]PYRENE, 5-METHYL-(1)","31647-36-6(1)","4527","High Reliability","-"]
[1729,"Cc1c2ccc3c4c(ccc(c5ccccc15)c24)ccc3\nCc1c2ccccc2c3ccc4cccc5ccc1c3c45\n\n","Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1","c1ccc5c(c1)c2ccc3cccc4ccc(c2c34)c5C","",1,"6-METHYLBENZO(A)PYRENE(1)","2381-39-7(1)","3184","High Reliability","-"]
[1730,"Cc1c2CCc3c4ccc5ccccc5c4cc(cc1)c23\nCc1ccc2cc3c(ccc4ccccc34)c5CCc1c25\n\n","Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1","c1ccc5c(c1)ccc3c5(cc2ccc(c4c2c3CC4)C)","",1,"3-METHYLCHOLANTHRENE(1)","56-49-5(1)","99","High Reliability","-"]
[1731,"[Br-].CC[n+]1c(-c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14\n[Br-].CC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1-c4ccccc4\n\n","CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2","Nc3ccc4c1ccc(N)cc1[n+](c(c2ccccc2)c4(c3))CC","",1,"Homidium bromide(1)","1239-45-8(1)","2879","High Reliability","-"]
[1732,"COc1cc2c(cc1)n(C(=O)C=Cc3ccccc3)c(C)c2CC(O)=O\nCOc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)C=Cc3ccccc3\n\n","COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)C=Cc1ccccc1)C","O=C(O)Cc3c1cc(OC)ccc1n(C(=O)C=Cc2ccccc2)c3C","",1,"Cinmetacin(1)","20168-99-4(1)","4250","High Reliability","Stereochemistry removed"]
[1733,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2cc(Oc3ccccc3)ccc2\n\n\n","ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl","O=C(OCc2cccc(Oc1ccccc1)c2)C3C(C=C(Cl)Cl)C3(C)(C)","",1,"PERMETHRIN(1)","52645-53-1(1)","4837","Medium Reliability","Stereochemistry removed"]
[1734,"COc1cc(cc(OC)c1O)C2C3C(COC3=O)Cc4c(O)c5c(OCO5)cc24\n\n\n","COc1cc(cc(c1O)OC)C1C2C(=O)OCC2Cc2c1cc1OCOc1c2O","O=C3OCC4Cc1c(O)c5OCOc5(cc1C(c2cc(OC)c(O)c(OC)c2)C34)","",1,"alpha-Peltatin(1)","568-53-6(1)","2199","High Reliability","Stereochemistry removed"]
[1735,"CN(C)C1C2CC3C(O)c4c(c(O)ccc4Cl)C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O\nCN(C)C1C2CC3C(O)c4c(Cl)ccc(O)c4C(=C3C(=O)C2(O)C(=O)C(=C(N)O)C1=O)O\n[Cl-].CN(C)C1C2CC3C(O)c4c(Cl)ccc(O)c4C(=C3C(=O)C2(O)C(=O)C(=C(N)O)C1=O)O.[H+]\n","CN(C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1O)c(Cl)ccc2O)O)O)C","O=C(N)C=3C(=O)C4(O)(C(O)=C2C(=O)c1c(O)ccc(c1C(O)C2CC4(C(C=3(O))N(C)C))Cl)","",1,"Demeclocycline(1)","127-33-3(1)","1473","High Reliability","Differences in counterions, Stereochemistry removed"]
[1736,"COc1c(OC)c2c(cc1)C(OC2=O)C3N(C)CCc4c3cc5OCOc5c4\nCOc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5cc34\n\n","COc1c(OC)ccc2c1C(=O)OC2C1N(C)CCc2c1cc1OCOc1c2","O=C1OC(c2ccc(OC)c(OC)c12)C4c3cc5OCOc5(cc3CCN4(C))","",1,"HYDRASTINE(1)","118-08-1(1)","1316","High Reliability","Stereochemistry removed"]
[1737,"Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3)cc1\n\n\n","Cc1ccc(cc1)OP(=O)(Oc1ccc(cc1)C)Oc1ccc(cc1)C","O=P(Oc1ccc(cc1)C)(Oc2ccc(cc2)C)Oc3ccc(cc3)C","",1,"TRI-P-CRESYL PHOSPHATE(1)","78-32-0(1)","433","Medium Reliability","-"]
[1738,"[H]C12CC3([H])C4=CCOC5([H])CC(=O)N6c7c(cccc7)C1(CCN2C4)C6([H])C35[H]\nO=C1CC2OCC=C3CN4CCC56C4CC3C2C5N1c7ccccc67\n\n","O=C1CC2OCC=C3C4C2C2N1c1ccccc1C12CCN(C1C4)C3","O=C2N6c1ccccc1C57(CCN4CC3=CCOC(C2)C(C3CC45)C67)","",1,"STRYCHNINE(1)","57-24-9(1)","122","High Reliability","Stereochemistry removed"]
[1739,"OCC1OC(C(O)C(O)C1O)C2c3cccc(O)c3C(=O)c4c2cc(CO)cc4O\nOCC1OC(C(O)C(O)C1O)C2c3cccc(O)c3C(=O)c4c(O)cc(CO)cc24\n\n","OCc1cc(O)c2c(c1)C(C1OC(CO)C(C(C1O)O)O)c1c(C2=O)c(O)ccc1","O=C2c1c(O)cccc1C(c3cc(cc(O)c23)CO)C4OC(CO)C(O)C(O)C4(O)","",1,"ALOIN(1)","1415-73-2(1)","2898","Medium Reliability","Stereochemistry removed"]
[1740,"OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3\n\n\n","Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Br","O=C(c1ccc(F)cc1)CCCN3CCC(O)(c2ccc(cc2)Br)CC3","",1,"Bromperidol(1)","10457-90-6(1)","3922","High Reliability","-"]
[1741,"OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3\n\n\n","Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl","O=C(c1ccc(F)cc1)CCCN3CCC(O)(c2ccc(cc2)Cl)CC3","",1,"HALOPERIDOL(1)","52-86-8(1)","66","High Reliability","-"]
[1742,"CCCCCOC(=O)COc1c(Cl)cc(F)c(c1)N2C(=O)C3=C(CCCC3)C2=O\n\n\n","CCCCCOC(=O)COc1cc(c(cc1Cl)F)N1C(=O)C2=C(C1=O)CCCC2","O=C(OCCCCC)COc1cc(c(F)cc1Cl)N2C(=O)C3=C(C2(=O))CCCC3","",1,"FLUMICLORAC-PENTYL(1)","87546-18-7(1)","5319","High Reliability","-"]
[1743,"CCOc1c(ccc(c1)C(C)(C)C)C2COC(=N2)c3c(F)cccc3F\nCCOc1cc(ccc1C2COC(=N2)c3c(F)cccc3F)C(C)(C)C\n\n","CCOc1cc(ccc1C1COC(=N1)c1c(F)cccc1F)C(C)(C)C","Fc1cccc(F)c1C3=NC(c2ccc(cc2(OCC))C(C)(C)C)CO3","",1,"ETOXAZOLE(1)","153233-91-1(1)","5728","High Reliability","-"]
[1744,"OC1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C#N)CC1\n\n\n","N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1","N#Cc1ccc3c(c1)N(c2ccccc2S3)CCCN4CCC(O)CC4","",1,"PERICYAZINE(1)","2622-26-6(1)","3256","High Reliability","-"]
[1745,"CN1CCC23C4Oc5c(OC(C)=O)ccc(CC1C2C=CC4OC(C)=O)c35\n\n\n","CC(=O)OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1OC(=O)C","O=C(Oc5ccc4c1c5(OC2C(OC(=O)C)C=CC3C(N(C)CCC123)C4))C","",1,"HEROIN(1)","561-27-3(1)","2174","High Reliability","Stereochemistry removed"]
[1746,"OCCN1CCN(CCCN2c3ccccc3Sc4c2cc(Cl)cc4)CC1\nOCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1\n\n","OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2","OCCN1CCN(CC1)CCCN4c2ccccc2Sc3ccc(cc34)Cl","",1,"PERPHENAZINE(1)","58-39-9(1)","151","High Reliability","-"]
[1747,"CC12CC(O)C3(F)C(CCC4=CC(=O)C=CC34C)C1CC(O)C2(O)C(=O)CO\n\n\n","OCC(=O)C1(O)C(O)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F","O=C1C=CC3(C(=C1)CCC2C4CC(O)C(O)(C(=O)CO)C4(C)(CC(O)C23(F)))(C)","",1,"TRIAMCINOLONE(1)","124-94-7(1)","1455","High Reliability","Stereochemistry removed"]
[1748,"CCCCSC(SCc1ccc(cc1)C(C)(C)C)=Nc2cnccc2\n\n\n","CCCCSC(=Nc1cccnc1)SCc1ccc(cc1)C(C)(C)C","n2cccc(N=C(SCc1ccc(cc1)C(C)(C)C)SCCCC)c2","",1,"BUTHIOBATE(1)","51308-54-4(1)","4809","High Reliability","-"]
[1749,"[H]C12CCC(O)(C#C)C1(CC)CCC3([H])C4([H])CCC(=O)C=C4CCC23[H]\nCCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C\n\n","C#CC1(O)CCC2C1(CC)CCC1C2CCC2=CC(=O)CCC12","O=C4C=C3CCC2C(CCC1(CC)(C2(CCC1(O)(C#C))))C3CC4","",1,"Norgestrel(1)","6533-00-2(1)","3764","Medium Reliability","Stereochemistry removed"]
[1750,"[H]C12CCC(O)(C#C)C1(C)CCC3([H])C2([H])CCC4=CC(=O)CCC34C\nCC12CCC(=O)C=C1CCC3C2CCC4(C)C3CCC4(O)C#C\n\n","C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C","O=C4C=C3CCC2C(CCC1(C)(C2(CCC1(O)(C#C))))C3(C)CC4","",1,"Ethisterone(1)","434-03-7(1)","1779","High Reliability","Stereochemistry removed"]
[1751,"CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=CC=C)=C2C)C1(C)C\n\n\n","C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C","O=C(OC1C(=C(C(=O)C1)CC=CC=C)C)C2C(C=C(C)C)C2(C)(C)","",1,"PYRETHRIN I(1)","121-21-1(1)","1369","High Reliability","Stereochemistry removed"]
[1752,"CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO\nCC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO\n\n","OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C","O=C1C=CC3(C(=C1)CCC2C4CCC(O)(C(=O)CO)C4(C)(CC(O)C23))(C)","",2,"PREDNISOLONE(1), CORTISONE(1)","50-24-8(1), 53-06-5(1)","13, 68","High Reliability","Stereochemistry removed"]
[1753,"CC12CCC(=O)C=C1CCC3C4CCC(C(=O)CO)C4(CC(O)C23)C=O\n\n\n","OCC(=O)C1CCC2C1(C=O)CC(O)C1C2CCC2=CC(=O)CCC12C","O=CC34(CC(O)C2C(CCC1=CC(=O)CCC12(C))C4(CCC3(C(=O)CO)))","",1,"ALDOSTERONE(1)","52-39-1(1)","60","High Reliability","Stereochemistry removed"]
[1754,"[H]C12CCC(C(C)=O)C1(C)CCC3([H])C2([H])CCC4=CC(=O)CCC34C\nCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C\n\n","O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2C(=O)C)C)C","O=C4C=C3CCC1C(CCC2(C)(C(C(=O)C)CCC12))C3(C)CC4","",1,"PROGESTERONE(1)","57-83-0(1)","138","High Reliability","Stereochemistry removed"]
[1755,"CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C\n\n\n","O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2(O)C(=O)C)C)C","O=C4C=C3CCC2C(CCC1(C)(C2(CCC1(O)(C(=O)C))))C3(C)CC4","",1,"17-ALPHA-HYDROXYPROGESTERONE(1)","68-96-2(1)","264","High Reliability","Stereochemistry removed"]
[1756,"CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO\n\n\n","OCC(=O)C1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C","O=C4C=C3CCC1C(CCC2(C)(C(C(=O)CO)CCC12))C3(C)CC4","",1,"DEOXYCORTICOSTERONE(1)","64-85-7(1)","232","High Reliability","Stereochemistry removed"]
[1757,"CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO\n\n\n","OCC(=O)C1CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C","O=C3C=C2CCC1C4CCC(C(=O)CO)C4(C)(CC(O)C1C2(C)CC3)","",1,"CORTICOSTERONE(1)","50-22-6(1)","11","High Reliability","Stereochemistry removed"]
[1758,"CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO\n\n\n","OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C","O=C3C=C2CCC1C4CCC(O)(C(=O)CO)C4(C)(CC(O)C1C2(C)CC3)","",1,"HYDROCORTISONE(1)","50-23-7(1)","12","High Reliability","Stereochemistry removed"]
[1759,"NCCCCC(NC(CCc1ccccc1)C(O)=O)C(=O)N2CCCC2C(O)=O\nO.O.NCCCCC(NC(CCc1ccccc1)C(O)=O)C(=O)N2CCCC2C(O)=O\n\n","NCCCCC(C(=O)N1CCCC1C(=O)O)NC(C(=O)O)CCc1ccccc1","O=C(O)C(NC(C(=O)N1CCCC1(C(=O)O))CCCCN)CCc2ccccc2","",1,"LISINOPRIL(1)","83915-83-7(1)","5297","High Reliability","Differences in counterions, Stereochemistry removed"]
[1760,"CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C\n\n\n","OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(=O)C)C)C1)C","O=C(C)C2CCC3C4CC=C1CC(O)CCC1(C)C4(CCC23(C))","",1,"PREGNENOLONE(1)","145-13-1(1)","1607","High Reliability","Stereochemistry removed"]
[1761,"CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC\n\n\n","CCCCCC(=O)OC(COC(=O)CCCCC)COC(=O)CCCCC","O=C(OCC(OC(=O)CCCCC)COC(=O)CCCCC)CCCCC","",1,"TRICAPROIN(1)","621-70-5(1)","2481","High Reliability","-"]
[1762,"c1cc-2c(cc1)-c3c4c2cc5c6c(ccc(cc3)c46)ccc5\nc1ccc-2c(c1)-c3ccc4ccc5cccc6cc2c3c4c56\n\n","c1ccc2c(c1)c1cc3cccc4c3c3c1c2ccc3cc4","c1ccc2c(c1)c3ccc4ccc5cccc6cc2c3c4c56","",1,"INDENO(1,2,3-CD)PYRENE(1)","193-39-5(1)","1644","High Reliability","-"]
[1763,"c1cc2c3c(c1)c4c5c(ccc6c5c3c(cc2)cc6)ccc4\nc1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56\n\n","c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2","c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56","",1,"BENZO(GHI)PERYLENE(1)","191-24-2(1)","1642","High Reliability","-"]
[1764,"c1ccc2cc3c4ccccc4c5ccccc5c3cc2c1\n\n\n","c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2","c2ccc3cc4c5ccccc5(c1ccccc1c4(cc3(c2)))","",1,"1,2,3,4-DIBENZANTHRACENE(1)","215-58-7(1)","1656","High Reliability","-"]
[1765,"c1ccc2c(ccc3c4ccc5ccccc5c4ccc23)c1\nc1ccc2c(c1)ccc3c2ccc4c5ccccc5ccc34\n\n","c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1","c1ccc5c(c1)ccc3c5(ccc2c4ccccc4(ccc23))","",1,"PICENE(1)","213-46-7(1)","1655","High Reliability","-"]
[1766,"c1ccc2c(ccc3cc4c(cc23)c5ccccc5cc4)c1\nc1ccc2c(c1)ccc3cc4ccc5ccccc5c4cc23\n\n","c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1","c1ccc4c(c1)ccc3cc5ccc2ccccc2c5(cc34)","",1,"DIBENZ(A,J)ANTHRACENE(1)","224-41-9(1)","1659","High Reliability","-"]
[1767,"c1cc2ccc3cc4c(ccc5ccccc45)cc3c2cc1\n\n\n","c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4","c1ccc5c(c1)ccc4cc3c(ccc2ccccc23)cc45","",1,"DIBENZ(A,H)ANTHRACENE(1)","53-70-3(1)","73","High Reliability","-"]
[1768,"Oc1ccc(cc1)N=Nc2c3ccccc3c(cc2)N=Nc4ccccc4\nO=C1C=CC(C=C1)=NNc2ccc(N=Nc3ccccc3)c4ccccc24\n\n","Oc1ccc(cc1)N=Nc1ccc(c2c1cccc2)N=Nc1ccccc1","Oc4ccc(N=Nc2ccc(N=Nc1ccccc1)c3ccccc23)cc4","",1,"C.I. DISPERSE ORANGE 13(1)","6253-10-7(1)","3721","High Reliability","Organic counterion"]
[1769,"CCOC(=O)C(c1c(O)c2c(oc1=O)cccc2)c3c(O)c4c(oc3=O)cccc4\nCCOC(=O)C(c1c(O)oc2ccccc2c1=O)c3c(O)oc4ccccc4c3=O\n\n","CCOC(=O)C(c1c(=O)oc2c(c1O)cccc2)c1c(=O)oc2c(c1O)cccc2","O=C1Oc4ccccc4(C(O)=C1C(C(=O)OCC)C=2C(=O)Oc3ccccc3(C=2(O)))","",1,"Ethyl biscoumacetate(1)","548-00-5(1)","2117","High Reliability","-"]
[1770,"COC=C(C(=O)OC)c1ccccc1Oc2cc(Oc3ccccc3C#N)ncn2\n\n\n","COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC","N#Cc3ccccc3(Oc2ncnc(Oc1ccccc1C(=COC)C(=O)OC)c2)","",1,"Azoxystrobin(1)","131860-33-8(1)","5679","High Reliability","Stereochemistry removed"]
[1771,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2ccc(F)c(Oc3ccccc3)c2\n\n\n","N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl","N#CC(OC(=O)C1C(C=C(Cl)Cl)C1(C)(C))c3ccc(F)c(Oc2ccccc2)c3","",1,"CYFLUTHRIN(1)","68359-37-5(1)","5110","High Reliability","-"]
[1772,"CC1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)cc3\n\n\n","O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1","O=C4OC(c2ccc(Oc1ccccc1)cc2)(C(=O)N4(Nc3ccccc3))C","",1,"Famoxadone(1)","131807-57-3(1)","5678","High Reliability","-"]
[1773,"CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2\n\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br","N#CC(OC(=O)C1C(C=C(Br)Br)C1(C)(C))c3cccc(Oc2ccccc2)c3","",1,"DELTAMETHRIN(1)","52918-63-5(1)","4865","Medium Reliability","Stereochemistry removed"]
[1774,"CC1(C)C(C(Br)C(Br)(Br)Br)C1C(=O)OC(C#N)c2cc(Oc3ccccc3)ccc2\nCC1(C)C(C(Br)C(Br)(Br)Br)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C(C(Br)(Br)Br)Br","N#CC(OC(=O)C1C(C(C(Br)(Br)Br)Br)C1(C)(C))c3cccc(Oc2ccccc2)c3","",1,"TRALOMETHRIN(1)","66841-25-6(1)","5068","High Reliability","Stereochemistry removed"]
[1775,"CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2\n\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl","N#CC(OC(=O)C1C(C=C(Cl)Cl)C1(C)(C))c3cccc(Oc2ccccc2)c3","",2,"CYPERMETHRIN(1), alpha-Cypermethrin(1)","52315-07-8(1), 67375-30-8(1)","4831, 5082","Medium Reliability","Stereochemistry removed"]
[1776,"CCCCc1c2c(ccc3ccccc23)cc4ccccc14\nCCCCc1c2ccccc2cc3ccc4ccccc4c13\n\n","CCCCc1c2ccccc2cc2c1c1ccccc1cc2","c1ccc4c(c1)ccc3cc2ccccc2c(c34)CCCC","",1,"12-BUTYL-BENZ[A]ANTHRACENE(1)","93037-15-1(1)","5382","Medium Reliability","-"]
[1777,"Cn1nc(C)c(C(=O)c2c(Cl)c(C)c(Cl)cc2)c1OCC(=O)c3ccc(C)cc3\nCn1nc(C)c(C(=O)c2ccc(Cl)c(C)c2Cl)c1OCC(=O)c3ccc(C)cc3\n\n","Cc1ccc(cc1)C(=O)COc1n(C)nc(c1C(=O)c1ccc(c(c1Cl)C)Cl)C","O=C(c1ccc(c(c1Cl)C)Cl)c3c(nn(c3(OCC(=O)c2ccc(cc2)C))C)C","",1,"Benzofenap(1)","82692-44-2(1)","5283","High Reliability","-"]
[1778,"Cc1c2C(=O)c3c(c(O)c(O)c(C4OC(CO)C(O)C(O)C4O)c3O)C(=O)c2cc(O)c1C(O)=O\nCc1c(C(O)=O)c(O)cc2C(=O)c3c(O)c(O)c(C4OC(CO)C(O)C(O)C4O)c(O)c3C(=O)c12\nCc1c(C(O)=O)c(O)cc2C(=O)c3c(O)c(O)c(C4OC(CO)C(O)C(O)C4O)c(O)c3C(=O)c12\n","OCC1OC(C(C(C1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O","O=C(O)c2c(O)cc1C(=O)c3c(O)c(O)c(c(O)c3(C(=O)c1c2C))C4OC(CO)C(O)C(O)C4(O)","",2,"CARMINIC ACID(1), CARMINE(1)","1260-17-9(1), 1390-65-4(1)","2882, 2896","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1779,"CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCC4CCCO4\n\n\n","Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C","O=C(OCC1OCCC1)C(Oc4ccc(Oc2nc3ccc(cc3(nc2))Cl)cc4)C","",1,"QUIZALOFOP-P-TEFURYL(1)","119738-06-6(1)","5635","High Reliability","-"]
[1780,"CC(Oc1ccc(Oc2nc3c(cc(Cl)cc3)nc2)cc1)C(=O)OCCON=C(C)C\nCC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCCON=C(C)C\n\n","O=C(C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCON=C(C)C","O=C(OCCON=C(C)C)C(Oc3ccc(Oc1nc2ccc(cc2(nc1))Cl)cc3)C","",1,"PROPAQUIZAFOP(1)","111479-05-1(1)","5561","High Reliability","Stereochemistry removed"]
[1781,"Fc1ccc(cc1)C(=O)C2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2\n\n\n","Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2","O=C1Nc4ccccc4(C(=O)N1CCN3CCC(C(=O)c2ccc(F)cc2)CC3)","",1,"Ketanserin(1)","74050-98-9(1)","5188","High Reliability","-"]
[1782,"CN(C)C1C2C(O)C3C(=C)c4c(c(O)ccc4)C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O\nCN(C)C1C2C(O)C3C(=C)c4cccc(O)c4C(=C3C(=O)C2(O)C(=O)C(=C(N)O)C1=O)O\n\n","CN(C1C(=C(C(=O)N)C(=O)C2(C1C(O)C1C(=C)c3cccc(c3C(=O)C1=C2O)O)O)O)C","O=C(N)C=2C(=O)C3(O)(C(O)=C1C(=O)c4c(O)cccc4(C(=C)C1C(O)C3(C(C=2(O))N(C)C)))","",1,"Methacycline(1)","914-00-1(1)","2737","High Reliability","Stereochemistry removed"]
[1783,"COc1cc(cc(OC)c1OC)C2C3C(COC3=O)Cc4c(O)c5c(OCO5)cc24\n\n\n","COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2Cc2c1cc1OCOc1c2O","O=C3OCC4Cc1c(O)c5OCOc5(cc1C(c2cc(OC)c(OC)c(OC)c2)C34)","",1,"beta-Peltatin(1)","518-29-6(1)","1977","High Reliability","Stereochemistry removed"]
[1784,"COc1cc(cc(OC)c1OC)C2C3C(COC3=O)C(O)c4cc5c(OCO5)cc24\n\n\n","COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O","O=C3OCC4C(O)c1cc5OCOc5(cc1C(c2cc(OC)c(OC)c(OC)c2)C34)","",1,"Picropodophyllin(1)","477-47-4(1)","1839","High Reliability","Stereochemistry removed"]
[1785,"CN(C)C1C2CC3C(=C(O)C2(O)C(=O)C(C(N)=O)=C1O)C(=O)c4c(c(Cl)ccc4O)C3(C)O\n[Cl-].CN(C)C1C2CC3C(=C(O)c4c(O)ccc(Cl)c4C3(C)O)C(=O)C2(O)C(=O)C(=C(N)O)C1=O.[H+]\n\n","CN(C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)c(Cl)ccc2O)O)O)C","O=C(N)C=3C(=O)C4(O)(C(O)=C2C(=O)c1c(O)ccc(c1C(O)(C)C2CC4(C(C=3(O))N(C)C))Cl)","",1,"AUREOMYCIN(1)","57-62-5(1)","133","High Reliability","Differences in counterions, Stereochemistry removed"]
[1786,"CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C\n\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C","N#CC(OC(=O)C1C(C)(C)C1(C)(C))c3cccc(Oc2ccccc2)c3","",2,"FENPROPATHRIN(1), Fenpropathrin(1)","39515-41-8(1), 64257-84-7(1)","4714, 5036","High Reliability","-"]
[1787,"COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4c3c(OC)c5OCOc5c4\nCOc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5c(OC)c34\n\n","COc1ccc2c(c1OC)C(=O)OC2C1N(C)CCc2c1c(OC)c1c(c2)OCO1","O=C1OC(c2ccc(OC)c(OC)c12)C4c3c(OC)c5OCOc5(cc3CCN4(C))","",2,"Noscapine(1), NARCOTINE(1)","128-62-1(1), 6035-40-1(1)","1488, 3692","High Reliability","Stereochemistry removed"]
[1788,"OC(=O)C(CSSCC(NC(=O)Cc1ccccc1)C(O)=O)NC(=O)Cc2ccccc2\n\n\n","OC(=O)C(NC(=O)Cc1ccccc1)CSSCC(C(=O)O)NC(=O)Cc1ccccc1","O=C(O)C(NC(=O)Cc1ccccc1)CSSCC(NC(=O)Cc2ccccc2)C(=O)O","",1,"N,N'-bis-Phenylacetyl-cystine(1)","2752-39-8(1)","3281","Medium Reliability","Stereochemistry removed"]
[1789,"[H]C12CC3([H])C(=C(O)C1(O)C(=O)C(C(N)=O)=C(O)C2N(C)C)C(=O)c4c(cccc4O)C3(C)O\nCN(C)C1C2CC3C(=C(O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=O)C(=C(N)O)C1=O\n\n","CN(C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)cccc2O)O)O)C","O=C(N)C=3C(=O)C4(O)(C(O)=C2C(=O)c1c(O)cccc1C(O)(C)C2CC4(C(C=3(O))N(C)C))","",1,"TETRACYCLINE(1)","60-54-8(1)","191","High Reliability","Stereochemistry removed"]
[1790,"CC1C2C(O)C3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C2C(=O)c4c1cccc4O\nCC1C2C(O)C3C(N(C)C)C(=O)C(=C(N)O)C(=O)C3(O)C(=O)C2=C(O)c4c(O)cccc14\nO.O.[Cl-].CC1C2C(O)C3C(N(C)C)C(=O)C(=C(N)O)C(=O)C3(O)C(=O)C2=C(O)c4c(O)cccc14.[H+]\n","CN(C1C(=C(C(=O)N)C(=O)C2(C1C(O)C1C(C)c3cccc(c3C(=O)C1=C2O)O)O)O)C","O=C(N)C=3C(=O)C4(O)(C(O)=C2C(=O)c1c(O)cccc1C(C)C2C(O)C4(C(C=3(O))N(C)C))","",1,"VIBRAMYCIN(1)","564-25-0(1)","2185","High Reliability","Differences in counterions, Stereochemistry removed"]
[1791,"COc1cc2c(c(OC)c1OC)-c3ccc(OC)c(=O)cc3C(CC2)NC(C)=O\nCOc1ccc-2c(cc1=O)C(CCc3cc(OC)c(OC)c(OC)c23)NC(C)=O\n\n","COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1C(CC2)NC(=O)C)OC","O=C1C=C3C(=CC=C1(OC))c2c(OC)c(OC)c(OC)cc2CCC3(NC(=O)C)","",1,"COLCHICINE(1)","64-86-8(1)","233","High Reliability","Stereochemistry removed"]
[1792,"OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1\n\n\n","OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F","FC(F)(F)c1ccc3c(c1)N(c2ccccc2S3)CCCN4CCN(CCO)CC4","",1,"FLUPHENAZINE(1)","69-23-8(1)","265","High Reliability","-"]
[1793,"COc1ccc(cc1)C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O\n\n\n","COc1ccc(cc1)C1Sc2ccccc2N(C(=O)C1OC(=O)C)CCN(C)C","O=C(OC3C(=O)N(c1ccccc1SC3(c2ccc(OC)cc2))CCN(C)C)C","",1,"Diltiazem(1)","42399-41-7(1)","4759","High Reliability","Stereochemistry removed"]
[1794,"CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C\n\n\n","CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C","O=C(OCc1coc(c1)Cc2ccccc2)C3C(C=C(C)C)C3(C)(C)","",2,"RESMETHRIN(1), BIORESMETHRIN(1)","10453-86-8(1), 28434-01-7(1)","3921, 4463","High Reliability","Stereochemistry removed"]
[1795,"CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO\n\n\n","OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F","O=C1C=CC3(C(=C1)C(F)CC2C4CC(C)C(O)(C(=O)CO)C4(C)(CC(O)C23(F)))(C)","",1,"FLUMETHASONE(1)","2135-17-3(1)","3103","High Reliability","Stereochemistry removed"]
[1796,"CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c3ccccc3\n\n\n","CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1","O=C(N(c1ccccc1)C3CCN(CCc2ccccc2)CC3)CC","",1,"FENTANYL(1)","437-38-7(1)","1783","High Reliability","-"]
[1797,"CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C\n\n\n","CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C","O=C(NN(C(=O)c1cc(cc(c1)C)C)C(C)(C)C)c2ccc(cc2)CC","",1,"TEBUFENOZIDE(1)","112410-23-8(1)","5572","High Reliability","-"]
[1798,"COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C\n\n\n","COc1cccc(c1C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C","O=C(NN(C(=O)c1cc(cc(c1)C)C)C(C)(C)C)c2cccc(OC)c2C","",1,"rh-2485(1)","161050-58-4(1)","5748","Medium Reliability","Name verified in PubChem"]
[1799,"CON(C)C(=O)Nc1ccc(Oc2ccc3c(OC(C)(CC3(C)C)OC)c2)cc1\n\n\n","CON(C(=O)Nc1ccc(cc1)Oc1ccc2c(c1)OC(CC2(C)C)(C)OC)C","O=C(Nc3ccc(Oc2ccc1c(OC(OC)(C)CC1(C)C)c2)cc3)N(OC)C","",1,"Metobenzuron(1)","111578-32-6(1)","5562","High Reliability","Checked on PubChem, Checked on ChemID"]
[1800,"OCCNCCNc1ccc(NCCNCCO)c2c1C(=O)c3c(c(O)ccc3O)C2=O\nCl.Cl.OCCNCCNc1ccc(NCCNCCO)c2c1C(=O)c3c(c(O)ccc3O)C2=O\n[H+].[H+].[Cl-].[Cl-].OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12\n","OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO","O=C1c3c(O)ccc(O)c3(C(=O)c2c(ccc(NCCNCCO)c12)NCCNCCO)","",1,"Novantrone(1)","70476-82-3(1)","5143","High Reliability","Differences in counterions"]
[1801,"CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4C3CCC12C)C#C\n\n\n","C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)OC(=O)C","O=C(OC3(C#C)(CCC2C4CCC1=CC(=O)CCC1C4(CCC23(C))))C","",1,"Norethindrone acetate(1)","51-98-9(1)","55","High Reliability","Stereochemistry removed"]
[1802,"COC(=O)C(C)=CC1C(C(=O)OC2CC(=O)C(CC=CC=C)=C2C)C1(C)C\n\n\n","C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C","O=C(OC)C(=CC2C(C(=O)OC1C(=C(C(=O)C1)CC=CC=C)C)C2(C)(C))C","",1,"PYRETHRIN II(1)","121-29-9(1)","1370","High Reliability","Stereochemistry removed"]
[1803,"[H]C12CC(C)C(C(=O)CO)C1(C)CC(O)C3([H])C2([H])CC(F)C4=CC(=O)C=CC34C\nCC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)CO\n\n","OCC(=O)C1C(C)CC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)F","O=C1C=CC3(C(=C1)C(F)CC2C4CC(C)C(C(=O)CO)C4(C)(CC(O)C23))(C)","",1,"Fluocortolone(1)","152-97-6(1)","1635","High Reliability","Stereochemistry removed"]
[1804,"CC1CC2C3CCC(O)(C(C)=O)C3(C)CC(O)C2(F)C4(C)C=CC(=O)C=C14\n\n\n","O=C1C=CC2(C(=C1)C(C)CC1C2(F)C(O)CC2(C1CCC2(O)C(=O)C)C)C","O=C1C=CC3(C(=C1)C(C)CC2C4CCC(O)(C(=O)C)C4(C)(CC(O)C23(F)))(C)","",1,"FLUOROMETHALONE(1)","426-13-1(1)","1776","High Reliability","Stereochemistry removed"]
[1805,"[H]C12CC(C)C(O)(C(=O)CO)C1(C)CC(O)C3(F)C2([H])CCC4=CC(=O)C=CC34C\nCC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO\n\n","OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F","O=C1C=CC3(C(=C1)CCC2C4CC(C)C(O)(C(=O)CO)C4(C)(CC(O)C23(F)))(C)","",2,"DEXAMETHASONE(1), BETAMETHASONE(1)","50-02-2(1), 378-44-9(1)","2, 1766","High Reliability","Stereochemistry removed"]
[1806,"CCC(=O)OC(Cc1ccccc1)(C(C)CN(C)C)c2ccccc2\n\n\n","CCC(=O)OC(c1ccccc1)(C(CN(C)C)C)Cc1ccccc1","O=C(OC(c1ccccc1)(Cc2ccccc2)C(C)CN(C)C)CC","",1,"PROPOXYPHENE(1)","469-62-5(1)","1822","High Reliability","Stereochemistry removed"]
[1807,"Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1\nNC(Nc1ccc(Cl)cc1)=NC(N)=NCCCCCCN=C(N)N=C(N)Nc2ccc(Cl)cc2\n\n","N=C(NC(=N)Nc1ccc(cc1)Cl)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl","N=C(Nc1ccc(cc1)Cl)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(cc2)Cl","",1,"CHLORHEXIDINE(1)","55-56-1(1)","84","High Reliability","-"]
[1808,"CCC12CCCN3CCC4(C(CC1)N(C(C)=O)c5c4cccc5OC)C23\nCCC12CCCN3CCC4(C(CC1)N(C(C)=O)c5c(OC)cccc45)C23\n\n","CCC12CCCN3C2C2(C(CC1)N(c1c2cccc1OC)C(=O)C)CC3","O=C(N2c1c(OC)cccc1C35(CCN4CCCC(CC)(CCC23)C45))C","",1,"Aspidospermine(1)","466-49-9(1)","1819","High Reliability","Stereochemistry removed"]
[1809,"CCC(=O)N(c1ccccc1)C2(COC)CCN(CCc3cccs3)CC2\n\n\n","COCC1(CCN(CC1)CCc1cccs1)N(c1ccccc1)C(=O)CC","O=C(N(c1ccccc1)C3(COC)(CCN(CCc2cccs2)CC3))CC","",1,"SUFENTANIL(1)","56030-54-7(1)","4925","High Reliability","-"]
[1810,"CC1CC2C3CCC(O)(C(=O)CO)C3(C)CC(O)C2C4(C)C=CC(=O)C=C14\n\n\n","OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)C","O=C1C=CC3(C(=C1)C(C)CC2C4CCC(O)(C(=O)CO)C4(C)(CC(O)C23))(C)","",1,"Methylprednisolone(1)","83-43-2(1)","524","High Reliability","Stereochemistry removed"]
[1811,"CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C\n\n\n","CCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C","O=C(OC2CCC3C4CCC1=CC(=O)CCC1(C)C4(CCC23(C)))CC","",1,"TESTOSTERONE PROPIONATE(1)","57-85-2(1)","139","High Reliability","Stereochemistry removed"]
[1812,"CC(=O)OC1C2CCC3C(C)(O)C4CC(O)C(C)(C)C4(O)C(O)CC13CC2(C)O\n\n\n","CC(=O)OC1C2CCC3C1(CC(O)C1(C(C3(C)O)CC(C1(C)C)O)O)CC2(C)O","O=C(OC2C1CCC3C(O)(C)C4CC(O)C(C)(C)C4(O)(C(O)CC23(CC1(O)(C))))C","",1,"ANDROMEDOTOXIN(1)","4720-09-6(1)","3525","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1813,"CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC\n\n\n","CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC","O=C(OCCCCCCCC)CCCCC(=O)OCCCCCCCC","",1,"DIOCTYL ADIPATE(1)","123-79-5(1)","1426","High Reliability","-"]
[1814,"CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC\n\n\n","CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC","O=C(OCC(CC)CCCC)CCCCC(=O)OCC(CC)CCCC","",1,"DI-2-ETHYLHEXYL ADIPATE(1)","103-23-1(1)","927","High Reliability","-"]
[1815,"NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC3OC(CO)C(O)C(N)C3O\n\n\n","NCCC(C(=O)NC1CC(N)C(C(C1OC1OC(CO)C(C(C1O)N)O)O)OC1OC(CN)C(C(C1O)O)O)O","O=C(NC3CC(N)C(OC1OC(CN)C(O)C(O)C1(O))C(O)C3(OC2OC(CO)C(O)C(N)C2(O)))C(O)CCN","",1,"AMIKACIN(1)","37517-28-5(1)","4645","High Reliability","Stereochemistry removed"]
[1816,"CCCCCCCCCCCCCCCCCCCCCC(O)=O\n\n\n","CCCCCCCCCCCCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCCCCCCCCCCC","",1,"DOCOSANOIC ACID(1)","112-85-6(1)","1265","High Reliability","-"]
[1817,"Nc1c(cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)c(cc2)S(O)(=O)=O)c4c1C(=O)c5ccccc5C4=O)S(O)(=O)=O\n\n\n","Clc1nc(Cl)nc(n1)Nc1cc(ccc1S(=O)(=O)O)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O","O=C1c5ccccc5(C(=O)c2c(cc(c(N)c12)S(=O)(=O)O)Nc3ccc(c(c3)Nc4nc(nc(n4)Cl)Cl)S(=O)(=O)O)","",1,"Procion blue MX-R(1)","13324-20-4(1)","3968","High Reliability","-"]
[1818,"Clc1ccc(cc1)C(C(=O)C2C(=O)c3c(cccc3)C2=O)c4ccccc4\nClc1ccc(cc1)C(C(=O)C2C(=O)c3ccccc3C2=O)c4ccccc4\n\n","Clc1ccc(cc1)C(C(=O)C1C(=O)c2c(C1=O)cccc2)c1ccccc1","O=C1c4ccccc4(C(=O)C1C(=O)C(c2ccccc2)c3ccc(cc3)Cl)","",1,"CHLOROPHACINONE(1)","3691-35-8(1)","3414","High Reliability","-"]
[1819,"O=C(C(c1ccccc1)c2ccccc2)C3C(=O)c4c(cccc4)C3=O\nO=C(C(c1ccccc1)c2ccccc2)C3C(=O)c4ccccc4C3=O\n[Na+].O=C(C(c1ccccc1)c2ccccc2)C3C(=O)c4ccccc4C3=O\n","O=C(C1C(=O)c2c(C1=O)cccc2)C(c1ccccc1)c1ccccc1","O=C1c4ccccc4(C(=O)C1C(=O)C(c2ccccc2)c3ccccc3)","",1,"DIPHACINONE(1)","82-66-6(1)","515","High Reliability","Differences in counterions"]
[1820,"CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2\n\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(C(F)(F)F)Cl","N#CC(OC(=O)C1C(C=C(C(F)(F)F)Cl)C1(C)(C))c3cccc(Oc2ccccc2)c3","",1,"CYHALOTHRIN(1)","68085-85-8(1)","5096","Medium Reliability","Stereochemistry removed"]
[1821,"Cc1c(cccc1COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)-c3ccccc3\nCc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c3ccccc3\n\n","O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1cccc(c1C)c1ccccc1","O=C(OCc2cccc(c1ccccc1)c2C)C3C(C=C(C(F)(F)F)Cl)C3(C)(C)","",1,"Bifenthrin(1)","82657-04-3(1)","5282","High Reliability","Stereochemistry removed"]
[1822,"COc1cc2c(cc1OC)C3C(CO2)Oc4c(ccc5c4CC(O5)C(C)=C)C3=O\nCOc1cc2OCC3Oc4c5CC(Oc5ccc4C(=O)C3c2cc1OC)C(C)=C\n\n","COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C","O=C3c5ccc1OC(C(=C)C)Cc1c5(OC4COc2cc(OC)c(OC)cc2C34)","",1,"ROTENONE(1)","83-79-4(1)","530","High Reliability","Stereochemistry removed"]
[1823,"C1CN(CCO1)C(c2ccccc2)(c3ccccc3)c4ccccc4\n\n\n","O1CCN(CC1)C(c1ccccc1)(c1ccccc1)c1ccccc1","O1CCN(CC1)C(c2ccccc2)(c3ccccc3)c4ccccc4","",1,"TRIFENMORPH(1)","1420-06-0(1)","2900","High Reliability","-"]
[1824,"COc1cc2c(cc1OC)C34CCN5CC6=CCOC7CC(=O)N2C3C7C6CC45\n\n\n","COc1cc2c(cc1OC)N1C3C42CCN2C4CC4C3C(CC1=O)OCC=C4C2","O=C2N6c1cc(OC)c(OC)cc1C57(CCN4CC3=CCOC(C2)C(C3CC45)C67)","",1,"BRUCINE(1)","357-57-3(1)","1752","High Reliability","Stereochemistry removed"]
[1825,"CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C\n\n\n","CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C","O=C(OCc2cccc(Oc1ccccc1)c2)C3C(C=C(C)C)C3(C)(C)","",1,"PHENOTHRIN(1)","26002-80-2(1)","4412","High Reliability","-"]
[1826,"CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)C=CC4(C)C3CCC12C)C(C)=O\n\n\n","O=C1C=CC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C","O=C1C=CC4(C(=C1)C(=CC3C4(CCC2(C)(C3(CCC2(OC(=O)C)(C(=O)C)))))Cl)(C)","",1,"Delmadinone acetate(1)","13698-49-2(1)","3998","High Reliability","Stereochemistry removed"]
[1827,"CN(C)C1C2CC3Cc4c(c(O)ccc4N(C)C)C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O\n\n\n","CN(C1C(=C(C(=O)N)C(=O)C2(C1CC1Cc3c(C(=O)C1=C2O)c(O)ccc3N(C)C)O)O)C","O=C(N)C=3C(=O)C4(O)(C(O)=C2C(=O)c1c(O)ccc(c1CC2CC4(C(C=3(O))N(C)C))N(C)C)","",1,"MINOCYCLINE(1)","10118-90-8(1)","3902","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1828,"COc1c(OC)c(C(O)=O)c(cc1)C(=O)Cc2c(OC)c3c(OCO3)cc2CCN(C)C\nCOc1ccc(C(=O)Cc2c(CCN(C)C)cc3OCOc3c2OC)c(C(O)=O)c1OC\n\n","COc1c(CC(=O)c2ccc(c(c2C(=O)O)OC)OC)c(CCN(C)C)cc2c1OCO2","O=C(O)c3c(OC)c(OC)ccc3(C(=O)Cc1c(OC)c2OCOc2(cc1CCN(C)C))","",1,"NARCEINE(1)","131-28-2(1)","1499","High Reliability","-"]
[1829,"CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4c2cc(Cl)cc4)CC1\nCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1\n[H+].[H+].[Cl-].[Cl-].CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1\n","CC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2","O=C(OCCN1CCN(CC1)CCCN4c2ccccc2Sc3ccc(cc34)Cl)C","",1,"Thiopropazate(1)","84-06-0(1)","533","High Reliability","Differences in counterions"]
[1830,"COc1c(cc(Cl)cc1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3\nCOc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3\n\n","COc1ccc(cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)Cl","O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3cc(ccc3(OC))Cl","",1,"Glyburide(1)","10238-21-8(1)","3907","High Reliability","-"]
[1831,"CN1CCC23C4Oc5c(OCCN6CCOCC6)ccc(CC1C2C=CC4O)c35\n\n\n","CN1CCC23C4C1Cc1c3c(OC2C(C=C4)O)c(cc1)OCCN1CCOCC1","OC1C=CC6C5N(C)CCC26(c4c(OC12)c(OCCN3CCOCC3)ccc4C5)","",1,"PHOLCODINE(1)","509-67-1(1)","1945","High Reliability","Stereochemistry removed"]
[1832,"CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC12C\n[H]C12CCC(O)(C(=O)COC(C)=O)C1(C)CC(O)C3([H])C2([H])CCC4=CC(=O)C=CC34C\nCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C\n","CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)CCC12C","O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(=O)CC23(C))))C","",2,"CORTISONE ACETATE(1), PREDNISOLONE ACETATE(1)","50-04-4(1), 52-21-1(1)","4, 57","Medium Reliability, High Reliability","Stereochemistry removed"]
[1833,"CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C\n\n\n","S=C(NC(C)(C)C)Nc1c(cc(cc1C(C)C)Oc1ccccc1)C(C)C","O(c1ccccc1)c2cc(c(NC(NC(C)(C)C)=S)c(c2)C(C)C)C(C)C","",1,"Diafenthiuron(1)","80060-09-9(1)","5259","High Reliability","-"]
[1834,"CC(=O)C1(C)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C\n\n\n","O=C1CCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(C)C(=O)C)C)C)C","O=C4C=C3C(=CC2C(CCC1(C)(C2(CCC1(C(=O)C)(C))))C3(C)CC4)C","",1,"Medrogestone(1)","977-79-7(1)","2783","High Reliability","Stereochemistry removed"]
[1835,"Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(O)c(c1)C(C)(C)C\n\n\n","Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O","Oc1c(cc(cc1C(C)(C)C)C)Cc2cc(cc(c2(O))C(C)(C)C)C","",1,"BIS (2-HYDROXY-3TERT-BUTYL-5-METHYLPHENYL) METHA(1)","119-47-1(1)","1338","Medium Reliability","-"]
[1836,"CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C\n\n\n","CC(=O)OCC(=O)C1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C","O=C(OCC(=O)C2CCC3C4CCC1=CC(=O)CCC1(C)C4(CCC23(C)))C","",1,"DEOXYCORTICOSTERONE ACETATE(1)","56-47-3(1)","98","High Reliability","Stereochemistry removed"]
[1837,"CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C\n\n\n","CC(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C","O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))C","",1,"HYDROCORTISONE ACETATE(1)","50-03-3(1)","3","High Reliability","Stereochemistry removed"]
[1838,"c1cc2c3c4c1ccc5c4c6c(cc5)ccc7c6c3c(cc2)cc7\nc1cc2ccc3ccc4ccc5ccc6ccc1c7c2c3c4c5c67\n\n","c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1","c1cc2ccc3ccc4ccc5ccc6ccc1c7c2c3c4c5c67","",1,"CORONENE(1)","191-07-1(1)","1641","High Reliability","-"]
[1839,"CC(C)(COCc1cc(Oc2ccccc2)ccc1)c3ccc(OC(F)(F)Br)cc3\n\n\n","FC(Oc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C)(Br)F","FC(F)(Oc1ccc(cc1)C(C)(C)COCc3cccc(Oc2ccccc2)c3)Br","",1,"Halfenprox(1)","111872-58-3(1)","5569","High Reliability","-"]
[1840,"CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C\n\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(C)C","N#CC(OC(=O)C1C(C=C(C)C)C1(C)(C))c3cccc(Oc2ccccc2)c3","",1,"CYPHENOTHRIN(1)","39515-40-7(1)","4713","High Reliability","-"]
[1841,"Cc1c(oc2c(cccc2c1=O)C(=O)OCCN3CCCCC3)-c4ccccc4\n\n\n","O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1","O=C(OCCN1CCCCC1)c2cccc3C(=O)C(=C(Oc23)c4ccccc4)C","",1,"Flavoxate(1)","15301-69-6(1)","4064","High Reliability","-"]
[1842,"Cn1nc(C)c(C=NOCc2ccc(cc2)C(=O)OC(C)(C)C)c1Oc3ccccc3\n\n\n","Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C","O=C(OC(C)(C)C)c1ccc(cc1)CON=Cc3c(nn(c3(Oc2ccccc2))C)C","",1,"Fenpyroximate(1)","111812-58-9(1)","5568","High Reliability","Stereochemistry removed"]
[1843,"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(C)=O\n\n\n","CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F","O=C(OCC(=O)C3(O)(C(C)CC2C4CCC1=CC(=O)C=CC1(C)C4(F)(C(O)CC23(C))))C","",1,"DEXAMETHASONE-21-ACETATE(1)","1177-87-3(1)","2856","High Reliability","Stereochemistry removed"]
[1844,"CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(O1)C(=O)CO\n\n\n","OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C","O=C1C=CC4(C(=C1)CCC3C5CC2OC(OC2(C(=O)CO)C5(C)(CC(O)C34(F)))(C)C)(C)","",1,"TRIAMCINOLONE ACETONIDE(1)","76-25-5(1)","395","High Reliability","Stereochemistry removed"]
[1845,"CC(=O)OC1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C)C(C)=O\n\n\n","O=C1CCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C)C","O=C(OC3(C(=O)C)(CCC2C4C=C(C1=CC(=O)CCC1(C)C4(CCC23(C)))C))C","",1,"MEGESTROL ACETATE(1)","595-33-5(1)","2329","High Reliability","Stereochemistry removed"]
[1846,"CC(=O)SC1CC2=CC(=O)CCC2(C)C3CCC4(C)C(CCC45CCC(=O)O5)C13\n\n\n","CC(=O)SC1CC2=CC(=O)CCC2(C2C1C1CCC3(C1(CC2)C)CCC(=O)O3)C","O=C1OC3(CC1)(CCC2C5C(CCC23(C))C4(C(=CC(=O)CC4)CC5SC(=O)C)(C))","",1,"SPIRONOLACTONE(1)","52-01-7(1)","56","High Reliability","Stereochemistry removed"]
[1847,"CC(N(Cc1c(N)nc(C)nc1)C=O)=C(CCO)SSC(CCO)=C(C)N(Cc2c(N)nc(C)nc2)C=O\nCc1ncc(CN(C=O)C(C)=C(CCO)SSC(CCO)=C(C)N(Cc2cnc(C)nc2N)C=O)c(N)n1\n\n","OCCC(=C(N(Cc1cnc(nc1N)C)C=O)C)SSC(=C(N(Cc1cnc(nc1N)C)C=O)C)CCO","O=CN(C(=C(CCO)SSC(=C(N(C=O)Cc1cnc(nc1(N))C)C)CCO)C)Cc2cnc(nc2(N))C","",1,"Thiamine Disulfide(1)","67-16-3(1)","247","High Reliability","Stereochemistry removed"]
[1848,"CC(CCC(O)=O)C1CCC2C3C(CC(=O)C12C)C4(C)CCC(=O)CC4CC3=O\n\n\n","OC(=O)CCC(C1CCC2C1(C)C(=O)CC1C2C(=O)CC2C1(C)CCC(=O)C2)C","O=C(O)CCC(C)C3CCC2C4C(=O)CC1CC(=O)CCC1(C)C4(CC(=O)C23(C))","",1,"DEHYDROCHOLIC ACID(1)","81-23-2(1)","506","High Reliability","Stereochemistry removed"]
[1849,"CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C\n\n\n","CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C","O=C(OCCCCCC(C)C)c1ccccc1(C(=O)OCCCCCC(C)C)","",1,"DIISOOCTYL PHTHALATE(1)","27554-26-3(1)","4449","High Reliability","Checked on PubChem, Checked on ChemID"]
[1850,"CCCCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC\nCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC\nCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC\n","CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC","O=C(OCCCCCCCC)c1ccccc1(C(=O)OCCCCCCCC)","",1,"dioctylphthalate(1)","117-84-0(1)","1313","High Reliability","Name verified in PubChem"]
[1851,"CCCCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC\nCCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC\n\n","CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC","O=C(OCC(CC)CCCC)c1ccccc1(C(=O)OCC(CC)CCCC)","",1,"BIS(2-ETHYLHEXYL)PHTHALATE(1)","117-81-7(1)","1311","Medium Reliability","-"]
[1852,"CC(CCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C\n\n\n","OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C","O=C(O)CCC(C)C2CCC3C4CCC1CC(O)CCC1(C)C4(CCC23(C))","",1,"LITHOCHOLIC ACID(1)","434-13-9(1)","1780","High Reliability","Stereochemistry removed"]
[1853,"CC(CCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C\n\n\n","OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)O)C","O=C(O)CCC(C)C2CCC3C4C(O)CC1CC(O)CCC1(C)C4(CCC23(C))","",2,"URSODEOXYCHOLIC ACID(1), CHENODEOXYCHOLIC ACID(1)","128-13-2(1), 474-25-9(1)","1485, 1835","High Reliability","Stereochemistry removed"]
[1854,"CC(CCC(O)=O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C\n[Na+].CC(CCC([O-])=O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C\n\n","OC1CCC2(C(C1)C(O)CC1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C","O=C(O)CCC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)(C3(CCC12(C)))","",1,"HYODEOXYCHOLIC ACID(1)","83-49-8(1)","526","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1855,"CC(CCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C\n\n\n","OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C","O=C(O)CCC(C)C2CCC3C4CCC1CC(O)CCC1(C)C4(CC(O)C23(C))","",1,"DEOXYCHOLIC ACID(1)","83-44-3(1)","525","High Reliability","Stereochemistry removed"]
[1856,"CC(CCC(O)=O)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C\n\n\n","OC1CCC2(C(C1)C(O)C(C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)O)C","O=C(O)CCC(C)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)(C3(CCC12(C)))","",1,"HYOCHOLIC ACID(1)","547-75-1(1)","2116","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1857,"CC(CCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C\n\n\n","OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C","O=C(O)CCC(C)C2CCC3C4C(O)CC1CC(O)CCC1(C)C4(CC(O)C23(C))","",1,"CHOLIC ACID(1)","81-25-4(1)","507","High Reliability","Stereochemistry removed"]
[1858,"CCCCCCCCN(CCCCCCCC)CCCCCCCC\n\n\n","CCCCCCCCN(CCCCCCCC)CCCCCCCC","N(CCCCCCCC)(CCCCCCCC)CCCCCCCC","",1,"TRI(N-OCTYL)AMINE(1)","1116-76-3(1)","2831","Medium Reliability","-"]
[1859,"Oc1c2c(ccc3ccccc23)nc4c5C(=O)c6ccccc6C(=O)c5ccc14\nO=C1c2ccccc2C(=O)c3c4[nH]c5ccc6ccccc6c5c(=O)c4ccc13\n\n","O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(c1O)c1ccccc1cc2","O=C2c6ccccc6(C(=O)c3c4nc5ccc1ccccc1c5(c(O)c4(ccc23)))","",1,"Benzo[a]naphth[2,3-h]acridine-5,8,13(14H)-trione(1)","3737-76-6(1)","3425","High Reliability","-"]
[1860,"CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3\n\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C","N#CC(OC(=O)C(c1ccc(cc1)Cl)C(C)C)c3cccc(Oc2ccccc2)c3","",2,"FENVALERATE(1), ESFENVALERATE(1)","51630-58-1(1), 66230-04-4(1)","4818, 5059","Medium Reliability, High Reliability","Stereochemistry removed"]
[1861,"CC1(C)CNC(NC1)=NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F\nCC1(C)CNC(=NC1)NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F\n\n","FC(c1ccc(cc1)C=CC(=NN=C1NCC(CN1)(C)C)C=Cc1ccc(cc1)C(F)(F)F)(F)F","FC(F)(F)c3ccc(C=CC(=NN=C1NCC(C)(C)CN1)C=Cc2ccc(cc2)C(F)(F)F)cc3","",1,"HYDRAMETHYLNON(1)","67485-29-4(1)","5083","High Reliability","Stereochemistry removed"]
[1862,"[I-].CCN1C=CC(=CC=Cc2c3ccccc3[n+](CC)cc2)c4c1cccc4\n[I-].CCN1C=CC(=CC=Cc2cc[n+](CC)c3ccccc23)c4ccccc14\n\n","CCn1ccc(=CC=Cc2cc[n+](c3c2cccc3)CC)c2c1cccc2","c1ccc4c(c1)C(=CC=Cc2cc[n+](c3ccccc23)CC)C=CN4CC","",1,"Kryptocyanine(1)","4727-50-8(1)","3529","Medium Reliability","-"]
[1863,"CCOc1ccc(cc1)C(C)(C)COCc2cc(Oc3ccccc3)ccc2\n\n\n","CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C","O(c1ccccc1)c2cccc(c2)COCC(c3ccc(OCC)cc3)(C)C","",1,"ETOFENPROX(1)","80844-07-1(1)","5260","Medium Reliability","-"]
[1864,"CC(=O)OCC(=O)C1(O)C(CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)OC(C)=O\n\n\n","CC(=O)OC1CC2C(C1(O)C(=O)COC(=O)C)(C)CC(C1(C2CCC2=CC(=O)C=CC12C)F)O","O=C(OCC(=O)C3(O)(C(OC(=O)C)CC2C4CCC1=CC(=O)C=CC1(C)C4(F)(C(O)CC23(C))))C","",1,"TRIAMCINOLONE DIACETATE(1)","67-78-7(1)","256","High Reliability","Stereochemistry removed"]
[1865,"CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12\n\n\n","CCC(C(=O)OC1CC(C)C=C2C1C(CCC1CC(O)CC(=O)O1)C(C=C2)C)(C)C","O=C3OC(CCC2C(C=CC1=CC(C)CC(OC(=O)C(C)(C)CC)C12)C)CC(O)C3","",1,"SIMVASTATIN(1)","79902-63-9(1)","5257","High Reliability","Stereochemistry removed"]
[1866,"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN\n\n\n","NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O)O","O=C(NCCCCCN(O)C(=O)C)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","",1,"Deferoxamine(1)","70-51-9(1)","277","High Reliability","-"]
[1867,"CCOc1ccc(cc1)C2(CC2(Cl)Cl)C(=O)OC(C#N)c3cc(Oc4ccccc4)ccc3\nCCOc1ccc(cc1)C2(CC2(Cl)Cl)C(=O)OC(C#N)c3cccc(Oc4ccccc4)c3\n\n","CCOc1ccc(cc1)C1(CC1(Cl)Cl)C(=O)OC(c1cccc(c1)Oc1ccccc1)C#N","N#CC(OC(=O)C2(c1ccc(OCC)cc1)(CC2(Cl)Cl))c4cccc(Oc3ccccc3)c4","",1,"CYCLOPROTHRIN(1)","63935-38-6(1)","5031","High Reliability","-"]
[1868,"CC1(C)C(C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C1C(=O)OC(C#N)c2cc(Oc3ccccc3)ccc2\nCC1(C)C(C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=CC(=O)OC(C(F)(F)F)C(F)(F)F","N#CC(OC(=O)C1C(C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C1(C)(C))c3cccc(Oc2ccccc2)c3","",1,"ACRINATHRIN(1)","101007-06-1(1)","5456","Medium Reliability","Stereochemistry removed"]
[1869,"CC(C)C(C(=O)OC(C#N)c1cc(Oc2ccc(Br)cc2)ccc1)c3ccc(OC(F)F)cc3\nCC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccc(Br)cc2)c1)c3ccc(OC(F)F)cc3\n\n","N#CC(c1cccc(c1)Oc1ccc(cc1)Br)OC(=O)C(c1ccc(cc1)OC(F)F)C(C)C","N#CC(OC(=O)C(c1ccc(OC(F)F)cc1)C(C)C)c3cccc(Oc2ccc(cc2)Br)c3","",1,"ZXI 8901(1)","160791-64-0(1)","5747","Medium Reliability","Checked on PubChem"]
[1870,"CC(C)C(Nc1c(Cl)cc(cc1)C(F)(F)F)C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2\nCC(C)C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F","N#CC(OC(=O)C(Nc1ccc(cc1Cl)C(F)(F)F)C(C)C)c3cccc(Oc2ccccc2)c3","",1,"FLUVALINATE(1)","69409-94-5(1)","5120","High Reliability","-"]
[1871,"CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(OC(F)F)cc3\n\n\n","N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)OC(F)F)C(C)C","N#CC(OC(=O)C(c1ccc(OC(F)F)cc1)C(C)C)c3cccc(Oc2ccccc2)c3","",1,"FLUCYTHRINATE(1)","70124-77-5(1)","5134","High Reliability","Stereochemistry removed"]
[1872,"C(C=Cc1ccccc1)N2CCN(CC2)C(c3ccccc3)c4ccccc4\n\n\n","c1ccc(cc1)C=CCN1CCN(CC1)C(c1ccccc1)c1ccccc1","c1ccc(cc1)C=CCN2CCN(CC2)C(c3ccccc3)c4ccccc4","",1,"Cinnarizine(1)","298-57-7(1)","1694","High Reliability","Stereochemistry removed"]
[1873,"CC(C)(C)C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C\n\n\n","O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)COC(=O)C(C)(C)C)C)C","O=C1C=CC3(C(=C1)CCC2C4CCC(O)(C(=O)COC(=O)C(C)(C)C)C4(C)(CC(O)C23))(C)","",1,"Prednisolone 21-trimethylacetate(1)","1107-99-9(1)","2823","High Reliability","Stereochemistry removed"]
[1874,"CC(CCC(=O)NCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C\n\n\n","OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)NCC(=O)O)C)C)O)C","O=C(O)CNC(=O)CCC(C)C2CCC3C4C(O)CC1CC(O)CCC1(C)C4(CCC23(C))","",2,"GLYCOCHENODEOXYCHOLIC ACID(1), GLYCOURSODEOXYCHOLIC ACID(1)","640-79-9(1), 64480-66-6(1)","2607, 5037","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1875,"CC(CCC(=O)NCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C\n\n\n","OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)NCC(=O)O)C)C)O)C","O=C(O)CNC(=O)CCC(C)C2CCC3C4C(O)CC1CC(O)CCC1(C)C4(CC(O)C23(C))","",1,"GLYCOCHOLIC ACID(1)","475-31-0(1)","1838","High Reliability","Stereochemistry removed"]
[1876,"CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C\n\n\n","CC(CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C)C","O=C(OCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCC(C)C","",1,"Diisodecyl adipate(1)","27178-16-1(1)","4442","High Reliability","Checked on PubChem, Checked on ChemID"]
[1877,"CCCCCCCCCCCCCCCCCCCCCCCCCC\n\n\n","CCCCCCCCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCCCCCCCC","",1,"HEXACOSANE(1)","630-01-3(1)","2570","High Reliability","-"]
[1878,"CN(C)C1C2CC3C(=C(O)C2(O)C(=O)C(C(=O)NCN4CCCC4)=C1O)C(=O)c5c(cccc5O)C3(C)O\nCN(C)C1C2CC3C(=C(O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=O)C(=C(O)NCN5CCCC5)C1=O\nCN(C)C1C2CC3C(=C(O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=O)C(=C(O)NCN5CCCC5)C1=O.O[N+]([O-])=O\n","CN(C1C(=C(C(=O)NCN2CCCC2)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)cccc2O)O)O)C","O=C(NCN1CCCC1)C=4C(=O)C5(O)(C(O)=C3C(=O)c2c(O)cccc2C(O)(C)C3CC5(C(C=4(O))N(C)C))","",1,"Rolitetracycline(1)","751-97-3(1)","2666","High Reliability","Differences in counterions, Stereochemistry removed"]
[1879,"COc1c(OC)cc(cc1)C2OCC3C2COC3c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)cc4\n\n\n","OCC1OC(Oc2ccc(cc2OC)C2OCC3C2COC3c2ccc(c(c2)OC)OC)C(C(C1O)O)O","OCC5OC(Oc1ccc(cc1(OC))C2OCC3C(OCC23)c4ccc(OC)c(OC)c4)C(O)C(O)C5(O)","",1,"Phillyrin(1)","487-41-2(1)","1866","High Reliability","Stereochemistry removed"]
[1880,"CCCCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)C(=O)CO\n\n\n","CCCCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F)C(=O)CO","O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CCCC)(C(=O)CO)C4(C)(CC(O)C23(F)))(C)","",1,"betamethasone-17-valerate(1)","2152-44-5(1)","3106","Medium Reliability","Stereochemistry removed, Name verified in PubChem"]
[1881,"[H]C12CCC(O)(C(=O)COC(=O)CC(C)(C)C)C1(C)CC(O)C3([H])C2([H])CCC4=CC(=O)CCC34C\nCC(C)(C)CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C\n\n","O=C(CC(C)(C)C)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C","O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CC(C)(C)C","",1,"Hydrocortisone tebutate(1)","508-96-3(1)","1943","High Reliability","Stereochemistry removed"]
[1882,"[H]C12CC3([H])C4([H])CC=C5CC(O)CCC5(C)C4([H])CCC3(C)C1([H])C(C)C6(CCC(C)CO6)O2\nCC1CCC2(OC1)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C\n\n","CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C","OC6CC5=CCC4C(CCC3(C)(C4(CC2OC1(OCC(C)CC1)C(C)C23)))C5(C)CC6","",1,"Diosgenin(1)","512-04-9(1)","1951","High Reliability","Stereochemistry removed"]
[1883,"[H]C1(CCC2([H])C3([H])CC=C4CC(O)CCC4(C)C3([H])CCC12C)C(C)CCCC(C)C\nCC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C\n\n","CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)O)C)C","OC4CC3=CCC1C(CCC2(C)(C(CCC12)C(C)CCCC(C)C))C3(C)CC4","",1,"CHOLESTEROL(1)","57-88-5(1)","140","Medium Reliability","Stereochemistry removed"]
[1884,"CC(=O)OCC1OC(COC(C)=O)(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O\n\n\n","CC(=O)OCC1(OC2OC(COC(=O)C)C(C(C2OC(=O)C)OC(=O)C)OC(=O)C)OC(C(C1OC(=O)C)OC(=O)C)COC(=O)C","O=C(OCC2OC(OC1(OC(COC(=O)C)C(OC(=O)C)C1(OC(=O)C))(COC(=O)C))C(OC(=O)C)C(OC(=O)C)C2(OC(=O)C))C","",1,"Sucrose octaacetate(1)","126-14-7(1)","1459","High Reliability","Stereochemistry removed"]
[1885,"CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC\n\n\n","CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC","O=C(OCCCCCCCCCC)c1ccccc1(C(=O)OCCCCCCCCCC)","",1,"DIDECYL PHTHALATE(1)","84-77-5(1)","548","High Reliability","-"]
[1886,"Fc1ccc(cc1)C(CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)c5ccc(F)cc5\n\n\n","Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1","O=C2NCN(c1ccccc1)C25(CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC5)","",1,"Fluspirilene(1)","1841-19-6(1)","2999","High Reliability","-"]
[1887,"Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)cnc2[nH]1\n\n\n","O=C(NC(C(=O)O)CCC(=O)NC(C(=O)O)CCC(=O)O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N","O=C(O)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)c1ccc(cc1)NCc2nc3C(=O)N=C(N)Nc3(nc2))C(=O)O)C(=O)O)C(=O)O","",1,"PTEROPTERIN(1)","89-38-3(1)","629","Medium Reliability","-"]
[1888,"CC1OC(CCC1OC2OC(C)C(C(O)C2O)N(C)C)n3ccc(nc3=O)NC(=O)c4ccc(NC(=O)C(C)(N)CO)cc4\n\n\n","OCC(C(=O)Nc1ccc(cc1)C(=O)Nc1ccn(c(=O)n1)C1CCC(C(O1)C)OC1OC(C)C(C(C1O)O)N(C)C)(N)C","O=C1N=C(C=CN1C3OC(C)C(OC2OC(C)C(N(C)C)C(O)C2(O))CC3)NC(=O)c4ccc(cc4)NC(=O)C(N)(C)CO","",1,"Amicetin(1)","17650-86-1(1)","4164","High Reliability","Checked on PubChem, Checked on ChemID"]
[1889,"FC(F)(Br)C(F)(F)Br\n\n\n","FC(C(Br)(F)F)(Br)F","FC(F)(C(F)(F)Br)Br","",1,"1,2-DIBROMOTETRAFLUOROETHANE(1)","124-73-2(1)","1452","High Reliability","-"]
[1890,"FC(F)(F)C(F)(Cl)Cl\n\n\n","FC(C(F)(F)F)(Cl)Cl","FC(F)(F)C(F)(Cl)Cl","",1,"1,1-DICHLORO-1,2,2,2-TETRAFLUOROETHANE(1)","374-07-2(1)","1765","High Reliability","-"]
[1891,"FC(F)(Cl)C(F)(F)Cl\n\n\n","FC(C(Cl)(F)F)(Cl)F","FC(F)(C(F)(F)Cl)Cl","",1,"1,2-DICHLOROTETRAFLUOROETHANE(1)","76-14-2(1)","388","High Reliability","-"]
[1892,"FC(F)(Cl)C(F)(Cl)Cl\n\n\n","FC(C(Cl)(F)F)(Cl)Cl","FC(F)(C(F)(Cl)Cl)Cl","",1,"1,1,2-TRICHLOROTRIFLUOROETHANE(1)","76-13-1(1)","387","High Reliability","-"]
[1893,"ClC(Cl)=C(Cl)Cl\n\n\n","ClC(=C(Cl)Cl)Cl","C(=C(Cl)Cl)(Cl)Cl","",1,"TETRACHLOROETHENE(1)","127-18-4(1)","1470","High Reliability","-"]
[1894,"FC(F)(Cl)C(Cl)(Cl)Cl\n\n\n","ClC(C(Cl)(F)F)(Cl)Cl","FC(F)(C(Cl)(Cl)Cl)Cl","",1,"1,1,1,2-TETRACHLORO-2,2-DIFLUOROETHANE(1)","76-11-9(1)","385","High Reliability","-"]
[1895,"FC(Cl)(Cl)C(F)(Cl)Cl\n\n\n","FC(C(Cl)(Cl)F)(Cl)Cl","FC(C(F)(Cl)Cl)(Cl)Cl","",1,"1,1,2,2,-TETRACHLORODIFLUOROETHANE(1)","76-12-0(1)","386","Medium Reliability","-"]
[1896,"ClC(Cl)(Cl)C(Cl)(Cl)Cl\n\n\n","ClC(C(Cl)(Cl)Cl)(Cl)Cl","C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl","",1,"HEXACHLOROETHANE(1)","67-72-1(1)","255","High Reliability","-"]
[1897,"FC(F)(F)C(F)(F)Cl\n\n\n","FC(C(F)(F)F)(Cl)F","FC(F)(F)C(F)(F)Cl","",1,"CHLOROPENTAFLUOROETHANE(1)","76-15-3(1)","389","High Reliability","-"]
[1898,"FC(F)=C(F)F\n\n\n","FC(=C(F)F)F","FC(F)=C(F)F","",1,"TETRAFLUOROETHYLENE(1)","116-14-3(1)","1298","High Reliability","-"]
[1899,"FC(F)(F)C(F)(F)F\n\n\n","FC(C(F)(F)F)(F)F","FC(F)(F)C(F)(F)F","",1,"HEXAFLUOROETHANE(1)","76-16-4(1)","390","High Reliability","-"]
[1900,"C#C\n\n\n","C#C","C#C","",1,"ACETYLENE(1)","74-86-2(1)","311","High Reliability","-"]
[1901,"BrC=CBr\n\n\n","BrC=CBr","C(=CBr)Br","",2,"1,2-Dibromoethene(1), ETHENE, 1,2-DIBROMO-, (Z)-(1)","25429-23-6(1), 590-11-4(1)","4399, 2283","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1902,"ClC(Br)C(Cl)Br\n\n\n","ClC(C(Br)Cl)Br","C(C(Cl)Br)(Cl)Br","",1,"ETHANE, 1,2-DIBROMO-1,2-DICHLORO-(1)","683-68-1(1)","2629","High Reliability","Checked on PubChem, Checked on ChemID"]
[1903,"OC(=O)C(Br)Br\n\n\n","BrC(C(=O)O)Br","O=C(O)C(Br)Br","",1,"Acetic acid, dibromo-(1)","631-64-1(1)","2577","High Reliability","-"]
[1904,"NC(=O)C(Br)(Br)Br\n\n\n","NC(=O)C(Br)(Br)Br","O=C(N)C(Br)(Br)Br","",1,"Acetamide, 2,2,2-tribromo-(1)","594-47-8(1)","2324","Medium Reliability","-"]
[1905,"BrC(Br)C(Br)Br\n\n\n","BrC(C(Br)Br)Br","C(C(Br)Br)(Br)Br","",1,"1,1,2,2-TETRABROMOETHANE(1)","79-27-6(1)","473","High Reliability","-"]
[1906,"ClC(Cl)=C\n\n\n","ClC(=C)Cl","C=C(Cl)Cl","",1,"1,1-DICHLOROETHENE(1)","75-35-4(1)","345","High Reliability","-"]
[1907,"ClC=CCl\n\n\n","ClC=CCl","C(=CCl)Cl","",3,"1,2-DICHLOROETHENE (CIS)(1), 1,2-DICHLOROETHENE (TRANS)(1), 1,2-DICHLOROETHYLENE(1)","156-59-2(1), 156-60-5(1), 540-59-0(1)","1638, 1639, 2070","Medium Reliability, High Reliability","Stereochemistry removed"]
[1908,"FC(F)(Cl)CCl\n\n\n","ClCC(Cl)(F)F","FC(F)(CCl)Cl","",1,"1,2-DICHLORO-1,1-DIFLUOROETHANE(1)","1649-08-7(1)","2952","High Reliability","-"]
[1909,"OC(=O)C(Cl)Cl\n\n\n","ClC(C(=O)O)Cl","O=C(O)C(Cl)Cl","",1,"DICHLOROACETIC ACID(1)","79-43-6(1)","478","High Reliability","-"]
[1910,"NC(=O)C(Cl)(Cl)Cl\n\n\n","NC(=O)C(Cl)(Cl)Cl","O=C(N)C(Cl)(Cl)Cl","",1,"TRICHLOROACETAMIDE(1)","594-65-0(1)","2326","High Reliability","-"]
[1911,"ClC(Cl)C(Cl)Cl\n\n\n","ClC(C(Cl)Cl)Cl","C(C(Cl)Cl)(Cl)Cl","",1,"1,1,2,2-TETRACHLOROETHANE(1)","79-34-5(1)","476","High Reliability","-"]
[1912,"ClCC(Cl)(Cl)Cl\n\n\n","ClCC(Cl)(Cl)Cl","C(C(Cl)(Cl)Cl)Cl","",1,"1,1,1,2-TETRACHLOROETHANE(1)","630-20-6(1)","2572","High Reliability","-"]
[1913,"FC(F)(F)CCl\n\n\n","ClCC(F)(F)F","FC(F)(F)CCl","",1,"1,1,1-TRIFLUORO-2-CHLOROETHANE(1)","75-88-7(1)","373","High Reliability","-"]
[1914,"ClCC#N\n\n\n","ClCC#N","N#CCCl","",1,"CHLOROACETONITRILE(1)","107-14-2(1)","1034","High Reliability","-"]
[1915,"ClCC(N(=O)=O)(N(=O)=O)N(=O)=O\n[O-][N+](=O)C(CCl)([N+]([O-])=O)[N+]([O-])=O\n\n","ClCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])CCl","",1,"Ethane, 2-chloro-1,1,1-trinitro-(1)","4100-02-1(1)","3460","Medium Reliability","-"]
[1916,"FC(F)=C\n\n\n","FC(=C)F","FC(F)=C","",1,"1,1-DIFLUOROETHENE(1)","75-38-7(1)","347","High Reliability","-"]
[1917,"OC(=O)C(F)F\n\n\n","FC(C(=O)O)F","O=C(O)C(F)F","",1,"Acetic acid, difluoro-(1)","381-73-7(1)","1769","High Reliability","-"]
[1918,"IC=CI\n\n\n","IC=CI","C(=CI)I","",2,"1,2-DIIODOETHENE (CIS)(1), 1,2-DIIODOETHENE (TRANS)(1)","590-26-1(1), 590-27-2(1)","2285, 2286","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[1919,"s1ccnn1\n\n\n","c1cnns1","n1nscc1","",1,"1,2,3-THIADIAZOLE(1)","288-48-2(1)","1680","High Reliability","-"]
[1920,"S=c1[nH]sc(=S)[nH]1\n\n\n","S=c1[nH]sc(=S)[nH]1","N1C(NSC1=S)=S","",1,"1,2,4-Thiadiazolidine-3,5-dithione(1)","20939-17-7(1)","4286","High Reliability","-"]
[1921,"Sc1nnc(S)s1\nS=c1[nH][nH]c(=S)s1\n\n","Sc1nnc(s1)S","n1nc(S)sc1S","",1,"1,3,4-THIADIAZOLIDINE-2,5-DITHIONE(1)","1072-71-5(1)","2812","High Reliability","-"]
[1922,"O=CC=O\n\n\n","O=CC=O","O=CC=O","",1,"GLYOXAL(1)","107-22-2(1)","1039","Medium Reliability","-"]
[1923,"OC(=O)C(O)=O\n[K+].[K+].[O-]C(=O)C([O-])=O\n\n","OC(=O)C(=O)O","O=C(O)C(=O)O","",2,"OXALIC ACID(1), Potassium Oxalate(1)","144-62-7(1), 583-52-8(1)","1602, 2237","High Reliability","-"]
[1924,"ClC(Br)CBr\n\n\n","BrCC(Br)Cl","C(C(Cl)Br)Br","",1,"1,2-DIBROMO-1-CHLOROETHANE(1)","598-20-9(1)","2346","High Reliability","-"]
[1925,"NC(=O)C(Br)Br\n\n\n","BrC(C(=O)N)Br","O=C(N)C(Br)Br","",1,"Acetamide, 2,2-dibromo-(1)","598-70-9(1)","2350","High Reliability","-"]
[1926,"BrCC(Br)Br\n\n\n","BrCC(Br)Br","C(C(Br)Br)Br","",1,"Ethane, 1,1,2-tribromo-(1)","78-74-0(1)","443","High Reliability","-"]
[1927,"OCC(Br)(Br)Br\n\n\n","OCC(Br)(Br)Br","OCC(Br)(Br)Br","",1,"ETHANOL, 2,2,2-TRIBROMO-(1)","75-80-9(1)","367","High Reliability","-"]
[1928,"OCC(Cl)(Cl)Br\n\n\n","OCC(Br)(Cl)Cl","OCC(Cl)(Cl)Br","",1,"Ethanol, 2-bromo-2,2-dichloro-(1)","69497-24-1(1)","5121","Medium Reliability","-"]
[1929,"OC(=O)CBr\n\n\n","OC(=O)CBr","O=C(O)CBr","",1,"BROMOACETIC ACID(1)","79-08-3(1)","464","High Reliability","-"]
[1930,"ClC=C\n\n\n","ClC=C","C=CCl","",1,"VINYLCHLORIDE(1)","75-01-4(1)","323","High Reliability","-"]
[1931,"CC(F)(Cl)Cl\n\n\n","CC(Cl)(Cl)F","FC(C)(Cl)Cl","",1,"1,1-DICHLOROFLUOROETHANE(1)","1717-00-6(1)","2971","High Reliability","-"]
[1932,"NC(=O)C(Cl)Cl\n\n\n","ClC(C(=O)N)Cl","O=C(N)C(Cl)Cl","",1,"ACETAMIDE, 2,2-DICHLORO-(1)","683-72-7(1)","2630","High Reliability","-"]
[1933,"CC(Cl)(Cl)[N+]([O-])=O\n\n\n","CC([N+](=O)[O-])(Cl)Cl","O=[N+]([O-])C(C)(Cl)Cl","",1,"1,1-DICHLORO-1-NITROETHANE(1)","594-72-9(1)","2327","High Reliability","-"]
[1934,"CC(Cl)(Cl)Cl\n\n\n","CC(Cl)(Cl)Cl","CC(Cl)(Cl)Cl","",2,"1,1,1-TRICHLOROETHANE(1), TRICHLOROETHANE(1)","71-55-6(1), 25323-89-1(1)","287, 4395","High Reliability","Manual Check passed"]
[1935,"ClCC(Cl)Cl\n\n\n","ClCC(Cl)Cl","C(C(Cl)Cl)Cl","",1,"1,1,2-TRICHLOROETHANE(1)","79-00-5(1)","460","High Reliability","-"]
[1936,"OCC(Cl)(Cl)Cl\n\n\n","OCC(Cl)(Cl)Cl","OCC(Cl)(Cl)Cl","",1,"2,2,2-TRICHLOROETHANOL(1)","115-20-8(1)","1275","High Reliability","-"]
[1937,"OC(O)C(Cl)(Cl)Cl\n\n\n","OC(C(Cl)(Cl)Cl)O","OC(O)C(Cl)(Cl)Cl","",1,"CHORAL HYDRATE(1)","302-17-0(1)","1707","Medium Reliability","-"]
[1938,"CC(F)(F)Cl\n\n\n","CC(Cl)(F)F","FC(F)(C)Cl","",1,"1-CHLORO-1,1-DIFLUOROETHANE(1)","75-68-3(1)","360","High Reliability","-"]
[1939,"OC(=O)CCl\n\n\n","OC(=O)CCl","O=C(O)CCl","",1,"CHLOROACETIC ACID(1)","79-11-8(1)","467","High Reliability","-"]
[1940,"OCC(F)(F)F\n\n\n","OCC(F)(F)F","FC(F)(F)CO","",1,"2,2,2-TRIFLUOROETHANOL(1)","75-89-8(1)","374","High Reliability","-"]
[1941,"[Na+].[O-]C(=O)CF\nOC(=O)CF\n\n","OC(=O)CF","O=C(O)CF","",2,"FLUOROACETIC ACID, SODIUM SALT(1), FLUOROACETIC ACID(1)","62-74-8(1), 144-49-0(1)","214, 1601","High Reliability","-"]
[1942,"CC#N\n\n\n","CC#N","N#CC","",1,"ACETONITRILE(1)","75-05-8(1)","326","High Reliability","-"]
[1943,"SC(=N)NC#N\n\n\n","SC(=N)NC#N","N#CNC(=N)S","",1,"Thiourea, cyano-(1)","61296-28-4(1)","5003","Medium Reliability","-"]
[1944,"CN=C=S\n\n\n","CN=C=S","C(=NC)=S","",1,"METHYL ISOTHIOCYANATE(1)","556-61-6(1)","2159","High Reliability","-"]
[1945,"C=C\n\n\n","C=C","C=C","",1,"ETHYLENE(1)","74-85-1(1)","310","High Reliability","-"]
[1946,"CC(Br)Br\n\n\n","CC(Br)Br","CC(Br)Br","",1,"DIBROMOETHANE(1)","25620-62-6(1)","4406","Medium Reliability","Checked on ChemID"]
[1947,"BrCCBr\n\n\n","BrCCBr","C(CBr)Br","",1,"1,2-DIBROMOETHANE(1)","106-93-4(1)","1015","High Reliability","-"]
[1948,"ClCCBr\n\n\n","ClCCBr","C(CBr)Cl","",1,"1-BROMO-2-CHLOROETHANE(1)","107-04-0(1)","1025","High Reliability","-"]
[1949,"NC(=O)CBr\n\n\n","NC(=O)CBr","O=C(N)CBr","",1,"BROMOACETAMIDE(1)","683-57-8(1)","2628","High Reliability","-"]
[1950,"CC(Cl)Cl\n\n\n","CC(Cl)Cl","CC(Cl)Cl","",1,"1,1-DICHLOROETHANE(1)","75-34-3(1)","344","High Reliability","-"]
[1951,"ClCCCl\n\n\n","ClCCCl","C(CCl)Cl","",1,"1,2-DICHLOROETHANE(1)","107-06-2(1)","1027","High Reliability","-"]
[1952,"ClCOCCl\n\n\n","ClCOCCl","O(CCl)CCl","",1,"BIS(CHLOROMETHYL) ETHER(1)","542-88-1(1)","2094","High Reliability","-"]
[1953,"CC(Cl)S(Cl)(=O)=O\n\n\n","CC(S(=O)(=O)Cl)Cl","O=S(=O)(C(C)Cl)Cl","",1,"Ethanesulfonyl chloride, 1-chloro-(1)","3518-66-9(1)","3390","Medium Reliability","-"]
[1954,"FCCCl\n\n\n","FCCCl","FCCCl","",1,"1-Chloro-2-fluoroethane(1)","762-50-5(1)","2676","High Reliability","-"]
[1955,"NC(=O)CCl\n\n\n","NC(=O)CCl","O=C(N)CCl","",1,"CHLOROACETAMIDE(1)","79-07-2(1)","463","High Reliability","-"]
[1956,"CC(Cl)[N+]([O-])=O\n\n\n","[O-][N+](=O)C(Cl)C","O=[N+]([O-])C(C)Cl","",1,"ETHANE, 1-CHLORO-1-NITRO-(1)","598-92-5(1)","2355","High Reliability","-"]
[1957,"CC(F)F\n\n\n","CC(F)F","FC(F)C","",1,"1,1-DIFLUOROETHANE(1)","75-37-6(1)","346","High Reliability","-"]
[1958,"NC(=O)CF\n\n\n","NC(=O)CF","O=C(N)CF","",1,"FLUOROACETAMIDE(1)","640-19-7(1)","2606","High Reliability","-"]
[1959,"ICCI\n\n\n","ICCI","C(CI)I","",1,"ETHANE, 1,2-DIIODO-(1)","624-73-7(1)","2509","High Reliability","-"]
[1960,"NC(=O)C(N)=O\n\n\n","NC(=O)C(=O)N","O=C(N)C(=O)N","",1,"OXAMIDE(1)","471-46-5(1)","1828","High Reliability","-"]
[1961,"NC(=N)NC#N\nNC(N)=NC#N\n\n","NC(=N)NC#N","N#CNC(=N)N","",1,"2-CYANOGUANIDINE(1)","461-58-5(1)","1803","High Reliability","-"]
[1962,"Nc1n[nH]cn1\nNc1[nH]ncn1\n\n","Nc1ncn[nH]1","n1cnc(N)[nH]1","",1,"AMITROLE(1)","61-82-5(1)","202","Medium Reliability","-"]
[1963,"CC=O\n\n\n","CC=O","O=CC","",1,"ACETALDEHYDE(1)","75-07-0(1)","327","High Reliability","-"]
[1964,"C1CO1\n\n\n","O1CC1","O1CC1","",1,"ETHYLENE OXIDE(1)","75-21-8(1)","336","High Reliability","-"]
[1965,"CC(O)=O\n\n\n","CC(=O)O","O=C(O)C","",1,"ACETIC ACID(1)","64-19-7(1)","227","High Reliability","-"]
[1966,"COC=O\n\n\n","COC=O","O=COC","",1,"METHYLFORMATE(1)","107-31-3(1)","1041","High Reliability","-"]
[1967,"OC(=O)CS\n\n\n","OC(=O)CS","O=C(O)CS","",1,"MERCAPTOACETIC ACID(1)","68-11-1(1)","258","High Reliability","-"]
[1968,"CC(=O)OO\n\n\n","CC(=O)OO","O=C(OO)C","",1,"PEROXYACETIC ACID(1)","79-21-0(1)","471","High Reliability","-"]
[1969,"O=S1OCCO1\n\n\n","O=S1OCCO1","O=S1OCCO1","",1,"1,3,2-Dioxathiolane, 2-oxide(1)","3741-38-6(1)","3428","High Reliability","-"]
[1970,"CCBr\n\n\n","CCBr","CCBr","",1,"BROMOETHANE(1)","74-96-4(1)","318","High Reliability","-"]
[1971,"OCCBr\n\n\n","OCCBr","OCCBr","",1,"2-BROMOETHANOL(1)","540-51-2(1)","2068","High Reliability","-"]
[1972,"CCCl\n\n\n","CCCl","CCCl","",1,"CHLOROETHANE(1)","75-00-3(1)","322","High Reliability","-"]
[1973,"OCCCl\n\n\n","OCCCl","OCCCl","",1,"2-CHLOROETHANOL(1)","107-07-3(1)","1028","High Reliability","-"]
[1974,"CCF\n\n\n","CCF","FCC","",1,"FLUOROETHANE(1)","353-36-6(1)","1751","High Reliability","-"]
[1975,"OCCF\n\n\n","OCCF","FCCO","",1,"2-FLUOROETHANOL(1)","371-62-0(1)","1760","High Reliability","-"]
[1976,"CCI\n\n\n","CCI","CCI","",1,"IODOETHANE(1)","75-03-6(1)","324","High Reliability","-"]
[1977,"C1CN1\n\n\n","N1CC1","N1CC1","",1,"AZIRIDINE(1)","151-56-4(1)","1631","High Reliability","-"]
[1978,"CN(N=O)C(N)=O\n\n\n","O=NN(C(=O)N)C","O=NN(C(=O)N)C","",1,"1-NITROSO-1-METHYLUREA(1)","684-93-5(1)","2631","High Reliability","-"]
[1979,"NC(=O)NC(N)=O\n\n\n","NC(=O)NC(=O)N","O=C(N)NC(=O)N","",1,"Imidodicarbonic diamide(1)","108-19-0(1)","1072","High Reliability","-"]
[1980,"NC(=S)NC(N)=S\n\n\n","NC(=S)NC(=S)N","NC(NC(N)=S)=S","",1,"thioimidodicarbonicdiamide(1)","541-53-7(1)","2084","High Reliability","Name verified in PubChem"]
[1981,"CN(C(N)=N[N+]([O-])=O)[N+]([O-])=O\nCN(C(=N)N[N+]([O-])=O)[N+]([O-])=O\n\n","[O-][N+](=O)N=C(N([N+](=O)[O-])C)N","O=[N+]([O-])N=C(N)N([N+](=O)[O-])C","",1,"Guanidine, N-methyl-N,N'-dinitro-(1)","6810-09-9(1)","3783","Medium Reliability","Stereochemistry removed"]
[1982,"CC(N)=O\n\n\n","CC(=O)N","O=C(N)C","",1,"ACETAMIDE(1)","60-35-5(1)","189","High Reliability","-"]
[1983,"CNC=O\n\n\n","CNC=O","O=CNC","",1,"METHYLFORMAMIDE(1)","123-39-7(1)","1416","High Reliability","-"]
[1984,"CC[N+]([O-])=O\n\n\n","[O-][N+](=O)CC","O=[N+]([O-])CC","",1,"NITROETHANE(1)","79-24-3(1)","472","High Reliability","-"]
[1985,"COC(N)=O\n\n\n","COC(=O)N","O=C(OC)N","",1,"O-METHYL CARBAMATE(1)","598-55-0(1)","2349","High Reliability","-"]
[1986,"NCC(O)=O\n\n\n","NCC(=O)O","O=C(O)CN","",1,"GLYCINE(1)","56-40-6(1)","95","High Reliability","-"]
[1987,"OCC[N+]([O-])=O\n\n\n","[O-][N+](=O)CCO","O=[N+]([O-])CCO","",1,"2-NITROETHANOL(1)","625-48-9(1)","2519","High Reliability","-"]
[1988,"CC(N)=S\n\n\n","CC(=S)N","NC(C)=S","",1,"THIOACETAMIDE(1)","62-55-5(1)","209","High Reliability","-"]
[1989,"OC(=O)CP(O)(O)=O\n\n\n","OC(=O)CP(=O)(O)O","O=C(O)CP(=O)(O)O","",1,"PHOSPHONOACETIC ACID(1)","4408-78-0(1)","3491","High Reliability","-"]
[1990,"CC\n\n\n","CC","CC","",1,"ETHANE(1)","74-84-0(1)","309","High Reliability","-"]
[1991,"OP(O)(=O)CCCl\n\n\n","ClCCP(=O)(O)O","O=P(O)(O)CCCl","",2,"ETHEPHON(2)","16672-87-0(1), 11672-87-0(1)","4109, 3937","High Reliability","Manual Check passed"]
[1992,"CN(C)N=O\n\n\n","O=NN(C)C","O=NN(C)C","",1,"N-NITROSODIMETHYLAMINE(1)","62-75-9(1)","215","High Reliability","-"]
[1993,"CNC(N)=O\n\n\n","CNC(=O)N","O=C(N)NC","",1,"UREA, METHYL-(1)","598-50-5(1)","2347","High Reliability","-"]
[1994,"NC(=O)NCO\n\n\n","NC(=O)NCO","O=C(N)NCO","",1,"HYDROXYMETHYL UREA(1)","1000-82-4(1)","2790","High Reliability","-"]
[1995,"OS(O)(=O)=O.NC(=N)NC(N)=O.NC(=N)NC(N)=O\nNC(N)=NC(N)=O.NC(N)=NC(N)=O.OS(O)(=O)=O\n\n","NC(=NC(=O)N)N","O=C(N=C(N)N)N","",1,"Dicyanodiamidine Sulfate(1)","591-01-5(1)","2294","Medium Reliability","Differences in counterions"]
[1996,"NC(=S)NNC(N)=S\n\n\n","NC(=S)NNC(=S)N","NC(NNC(N)=S)=S","",1,"1,2-hydrazinecarbothioamide(1)","142-46-1(1)","1581","Medium Reliability","Name verified in PubChem"]
[1997,"CCO\n\n\n","CCO","OCC","",1,"ETHANOL(1)","64-17-5(1)","225","Medium Reliability","-"]
[1998,"COC\n\n\n","COC","O(C)C","",1,"DIMETHYL ETHER(1)","115-10-6(1)","1271","High Reliability","-"]
[1999,"OCCO\n\n\n","OCCO","OCCO","",1,"ETHYLENE GLYCOL(1)","107-21-1(1)","1038","High Reliability","-"]
[2000,"COS(=O)(=O)OC\n\n\n","COS(=O)(=O)OC","O=S(=O)(OC)OC","",1,"DIMETHYLSULFATE(1)","77-78-1(1)","423","High Reliability","-"]
[2001,"OCCS(O)(=O)=O\n\n\n","OCCS(=O)(=O)O","O=S(=O)(O)CCO","",1,"Isethionic Acid(1)","107-36-8(1)","1043","High Reliability","-"]
[2002,"CS(C)=O\n\n\n","CS(=O)C","O=S(C)C","",1,"DIMETHYL SULFOXIDE(1)","67-68-5(1)","254","High Reliability","-"]
[2003,"OCCS\n\n\n","OCCS","OCCS","",1,"Ethanol, 2-mercapto-(1)","60-24-2(1)","184","High Reliability","-"]
[2004,"CCS\n\n\n","CCS","CCS","",1,"ETHYL MERCAPTAN(1)","75-08-1(1)","328","High Reliability","-"]
[2005,"CSC\n\n\n","CSC","CSC","",1,"DIMETHYLSULFIDE(1)","75-18-3(1)","334","High Reliability","-"]
[2006,"CSSC\n\n\n","CSSC","CSSC","",1,"DIMETHYLDISULFIDE(1)","624-92-0(1)","2510","High Reliability","-"]
[2007,"CCN\n\n\n","CCN","NCC","",1,"ETHYLAMINE(1)","75-04-7(1)","325","High Reliability","-"]
[2008,"CNC\n\n\n","CNC","N(C)C","",1,"DIMETHYLAMINE(1)","124-40-3(1)","1446","High Reliability","-"]
[2009,"CNC(N)=N\nCN=C(N)N\n\n","CNC(=N)N","N=C(N)NC","",1,"METHYLGUANIDINE(1)","471-29-4(1)","1827","High Reliability","-"]
[2010,"NCCO\n\n\n","NCCO","OCCN","",1,"ETHANOLAMINE(1)","141-43-5(1)","1565","High Reliability","-"]
[2011,"NCCS(O)(=O)=O\n\n\n","NCCS(=O)(=O)O","O=S(=O)(O)CCN","",1,"TAURINE(1)","107-35-7(1)","1042","High Reliability","-"]
[2012,"CS(=O)(=O)NS(C)(=O)=O\n\n\n","CS(=O)(=O)NS(=O)(=O)C","O=S(=O)(NS(=O)(=O)C)C","",1,"Methanesulfonamide, N-(methylsulfonyl)-(1)","5347-82-0(1)","3591","High Reliability","-"]
[2013,"CNNC\n\n\n","CNNC","N(NC)C","",1,"1,2-DIMETHYLHYDRAZINE(1)","540-73-8(1)","2072","High Reliability","-"]
[2014,"CN(C)N\n\n\n","CN(N)C","NN(C)C","",1,"1,1-DIMETHYLHYDRAZINE(1)","57-14-7(1)","120","High Reliability","-"]
[2015,"NCCN\n\n\n","NCCN","NCCN","",1,"1,2-DIAMINOETHANE(1)","107-15-3(1)","1035","High Reliability","-"]
[2016,"NNCCO\n\n\n","NNCCO","OCCNN","",1,"Ethanol, 2-hydrazino-(1)","109-84-2(1)","1149","High Reliability","-"]
[2017,"COP(N)(=O)SC\n\n\n","COP(=O)(SC)N","O=P(OC)(N)SC","",1,"METHAMIDOPHOS(1)","10265-92-6(1)","3908","High Reliability","-"]
[2018,"CC(O)(P(O)(O)=O)P(O)(O)=O\n\n\n","CC(P(=O)(O)O)(P(=O)(O)O)O","O=P(O)(O)C(O)(C)P(=O)(O)O","",1,"Phosphonic acid, (1-hydroxyethylidene)bis-(1)","2809-21-4(1)","3287","High Reliability","-"]
[2019,"OC(=O)C(Br)(Br)Br\n[O-]C(=O)C(Br)(Br)Br\n\n","OC(=O)C(Br)(Br)Br","O=C(O)C(Br)(Br)Br","",1,"Acetic acid, tribromo-(1)","75-96-7(1)","375","High Reliability","-"]
[2020,"FC(F)(F)C(Cl)Br\n\n\n","ClC(C(F)(F)F)Br","FC(F)(F)C(Cl)Br","",1,"HALOTHANE(1)","151-67-7(1)","1632","High Reliability","-"]
[2021,"FC(Br)C(F)(F)F\n\n\n","FC(C(F)(F)F)Br","FC(C(F)(F)F)Br","",1,"2-Bromo-1,1,1,2-tetrafluoroethane(1)","124-72-1(1)","1451","High Reliability","-"]
[2022,"FC(F)(F)C(Cl)Cl\n\n\n","ClC(C(F)(F)F)Cl","FC(F)(F)C(Cl)Cl","",1,"1,1,1-TRIFLUORO-2,2-DICHLOROETHANE(1)","306-83-2(1)","1715","High Reliability","-"]
[2023,"ClC=C(Cl)Cl\n\n\n","ClC=C(Cl)Cl","C(=C(Cl)Cl)Cl","",1,"TRICHLOROETHENE(1)","79-01-6(1)","461","High Reliability","-"]
[2024,"ClC(Cl)(Cl)C=O\n\n\n","O=CC(Cl)(Cl)Cl","O=CC(Cl)(Cl)Cl","",1,"TRICHLOROACETALDEHYDE(1)","75-87-6(1)","372","High Reliability","-"]
[2025,"OC(=O)C(Cl)(Cl)Cl\n\n\n","OC(=O)C(Cl)(Cl)Cl","O=C(O)C(Cl)(Cl)Cl","",1,"TRICHLOROACETIC ACID(1)","76-03-9(1)","381","High Reliability","-"]
[2026,"ClC(Cl)C(Cl)(Cl)Cl\n\n\n","ClC(C(Cl)(Cl)Cl)Cl","C(C(Cl)(Cl)Cl)(Cl)Cl","",1,"PENTACHLOROETHANE(1)","76-01-7(1)","380","High Reliability","-"]
[2027,"OC(=O)C(F)(F)Cl\n\n\n","OC(=O)C(Cl)(F)F","O=C(O)C(F)(F)Cl","",1,"Acetic acid, chlorodifluoro-(1)","76-04-0(1)","382","High Reliability","-"]
[2028,"FC(Cl)C(F)(F)F\n\n\n","FC(C(F)(F)F)Cl","FC(C(F)(F)F)Cl","",1,"1-Chloro-1,2,2,2-Tetrafluoroethane(1)","2837-89-0(1)","3294","High Reliability","-"]
[2029,"OC(=O)C(F)(F)F\n\n\n","OC(=O)C(F)(F)F","O=C(O)C(F)(F)F","",1,"TRIFLUOROACETIC ACID(1)","76-05-1(1)","383","High Reliability","-"]
[2030,"Cc1cccc(C)c1NC(=O)CN2CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC2\n\n\n","O=C(Nc1c(C)cccc1C)CN1CCN(CC1)CCCC(c1ccc(cc1)F)c1ccc(cc1)F","O=C(Nc1c(cccc1C)C)CN2CCN(CC2)CCCC(c3ccc(F)cc3)c4ccc(F)cc4","",1,"LIDOFLAZINE(1)","3416-26-0(1)","3380","High Reliability","-"]
[2031,"CC(C)(C)CC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC23C\n\n\n","O=C(CC(C)(C)C)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C","O=C1C=CC4(C(=C1)CCC3C5CC2OC(OC2(C(=O)COC(=O)CC(C)(C)C)C5(C)(CC(O)C34(F)))(C)C)(C)","",1,"TRIAMCINOLONE HEXACETONIDE(1)","5611-51-8(1)","3636","High Reliability","Stereochemistry removed"]
[2032,"[H]C12CCC3([H])C([H])(CCC4(C)C(CCC34O)C5=CC(=O)OC5)C1(CCC(C2)OC6([H])OC(C)C(O)C(OC)C6O)C=O\nCOC1C(O)C(C)OC(OC2CCC3(C=O)C(CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C2)C1O\n\n","COC1C(O)C(OC2CCC3(C(C2)CCC2C3CCC3(C2(O)CCC3C2=CC(=O)OC2)C)C=O)OC(C1O)C","O=CC56(CCC(OC1OC(C)C(O)C(OC)C1(O))CC6(CCC3C5(CCC4(C)(C(C2=CC(=O)OC2)CCC34(O)))))","",1,"PERUVOSIDE(1)","1182-87-2(1)","2857","High Reliability","Stereochemistry removed"]
[2033,"CC1CCC2(CC3CC(CC=C(C)CC(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)OC1C\n\n\n","CC1C=CC=C2COC3C2(O)C(C=C(C3O)C)C(=O)OC2CC(CC=C(C1)C)OC1(C2)CCC(C(O1)C)C","O=C3OC2CC(OC1(OC(C)C(C)CC1)C2)CC=C(C)CC(C=CC=C4COC5C(O)C(=CC3C45(O))C)C","",1,"milbemectina3(1)","51596-10-2(1)","4816","Medium Reliability","Stereochemistry removed, Name verified in PubChem"]
[2034,"CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4\n\n\n","OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O","OC(c1ccc(cc1)C(C)(C)C)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4","",1,"Terfenadine(1)","50679-08-8(1)","4787","High Reliability","-"]
[2035,"CCC1OC2(CCC1C)CC3CC(CC=C(C)CC(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2\n\n\n","CCC1OC2(CCC1C)CC1CC(O2)CC=C(C)CC(C)C=CC=C2C3(C(C(=O)O1)C=C(C)C(C3OC2)O)O","O=C3OC2CC(OC1(OC(CC)C(C)CC1)C2)CC=C(C)CC(C=CC=C4COC5C(O)C(=CC3C45(O))C)C","",1,"Milbemectin A4(1)","51596-11-3(1)","4817","Medium Reliability","Stereochemistry removed"]
[2036,"CC=C(C)C(=O)OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(C)O)C5(O)CC24OC13O\n\n\n","CC=C(C(=O)OC1CCC2(C3C1(O)OC12CC2(C(C1CC3)(O)CC(C1(C2CN2CC(C)CCC2C1(C)O)O)O)O)C)C","O=C(OC3CCC6(C)(C4CCC5C7(O)(CC(O)C2(O)(C(CN1CC(C)CCC1C2(O)(C))C7(O)(CC56(OC34(O)))))))C(=CC)C","",1,"CEVADINE(1)","62-59-9(1)","212","High Reliability","Stereochemistry removed"]
[2037,"OC(C1=CC2C3C(C1C2=C(c4ccccc4)c5ccccn5)C(=O)NC3=O)(c6ccccc6)c7ncccc7\n[H+].[Cl-].OC(c1ccccc1)(c2ccccn2)C3=CC4C5C(C3C4=C(c6ccccc6)c7ccccn7)C(=O)NC5=O\n\n","O=C1NC(=O)C2C1C1C(=C(c3ccccn3)c3ccccc3)C2C=C1C(c1ccccn1)(c1ccccc1)O","O=C4NC(=O)C5C3C(=CC(C3(=C(c1ncccc1)c2ccccc2))C45)C(O)(c6ncccc6)c7ccccc7","",1,"NORBORMIDE(1)","991-42-4(1)","2784","High Reliability","Differences in counterions, Stereochemistry removed"]
[2038,"CC1=C(C=C)C(NC1=O)=Cc2c(C)c(CCC(O)=O)c(Cc3c(CCC(O)=O)c(C)c([nH]3)C=C4NC(=O)C(C=C)=C4C)[nH]2\nCC1=C(C=C)C(NC1=O)=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C\n\n","C=CC1=C(C)C(=Cc2[nH]c(c(c2C)CCC(=O)O)Cc2[nH]c(c(c2CCC(=O)O)C)C=C2NC(=O)C(=C2C=C)C)NC1=O","O=C(O)CCc2c([nH]c(C=C1NC(=O)C(=C1(C=C))C)c2C)Cc4[nH]c(C=C3NC(=O)C(C=C)=C3C)c(c4CCC(=O)O)C","",1,"Bilirubin(1)","635-65-4(1)","2589","High Reliability","Stereochemistry removed"]
[2039,"[H]C12CC(OC(=O)c3cc(OC)c(OC)c(OC)c3)C(OC)C(C(=O)OC)C1([H])CC4([H])N(CCc5c4[nH]c6c5ccc(OC)c6)C2\nCOC1C(CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6\n\n","COc1ccc2c(c1)[nH]c1c2CCN2C1CC1C(C2)CC(C(C1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC","O=C(OC3CC4CN2CCc1c5ccc(OC)cc5([nH]c1C2CC4(C(C(=O)OC)C3(OC))))c6cc(OC)c(OC)c(OC)c6","",1,"RESERPINE(1)","50-55-5(1)","27","High Reliability","Stereochemistry removed"]
[2040,"CCN1CC2(COC)C3C(OC)C4C1C3(C5CC6(O)C(OC(=O)c7ccccc7)C5C4(OC(C)=O)C(O)C6OC)C(CC2O)OC\n\n\n","COCC12CN(CC)C3C4(C2C(OC)C3C2(C3C4CC(C3OC(=O)c3ccccc3)(C(C2O)OC)O)OC(=O)C)C(CC1O)OC","O=C(OC1C6C4CC1(O)C(OC)C(O)C6(OC(=O)C)(C2C(OC)C5C3(COC)(CN(CC)C2C45(C(OC)CC3(O)))))c7ccccc7","",1,"ACONITINE(1)","302-27-2(1)","1708","High Reliability","Stereochemistry removed"]
[2041,"COC(=O)C1(O)OCC23C4C(OCC4(C(CC2OC(=O)C(C)=CC)OC(C)=O)C(=O)OC)C(O)C(C)(C13)C56OC5(C)C7CC6OC8OC=CC78O\n\n\n","CC=C(C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)C(=O)OC)C","O=C(OC1CC(OC(=O)C)C3(C(=O)OC)(COC2C(O)C(C)(C4C(O)(OCC14(C23))C(=O)OC)C78(OC8(C)(C6CC7(OC5OC=CC56(O))))))C(=CC)C","",1,"Azadirachtin(1)","11141-17-6(1)","3936","Medium Reliability","Stereochemistry removed"]
[2042,"CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\n\n\n","CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC","",1,"HEXATRIACONTANE(1)","630-06-8(1)","2571","High Reliability","-"]
[2043,"Cln1c(=O)n(Cl)c(=O)n(Cl)c1=O\n\n\n","O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl","O=C1N(C(=O)N(C(=O)N1Cl)Cl)Cl","",1,"1,3,5-TRICHLOROISOCYANURIC ACID(1)","87-90-1(1)","604","High Reliability","-"]
[2044,"ClC(Cl)=C(Cl)C(Cl)(Cl)Cl\n\n\n","ClC(=C(C(Cl)(Cl)Cl)Cl)Cl","C(=C(Cl)Cl)(C(Cl)(Cl)Cl)Cl","",1,"PERCHLOROPROPYLENE(1)","1888-71-7(1)","3013","High Reliability","-"]
[2045,"FC(F)(F)C(F)(F)C(F)(F)F\n\n\n","FC(C(F)(F)F)(C(F)(F)F)F","FC(F)(F)C(F)(F)C(F)(F)F","",1,"OCTAFLUOROPROPANE(1)","76-19-7(1)","391","High Reliability","-"]
[2046,"OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O\n[K+].[K+].[K+].[K+].[K+].[K+].[O-]P([O-])(=O)CN(CP([O-])([O-])=O)CP([O-])([O-])=O\n\n","OP(=O)(CN(CP(=O)(O)O)CP(=O)(O)O)O","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O","",1,"(Nitrilotris(methylene))triphosphonic acid(1)","6419-19-8(1)","3753","High Reliability","Differences in counterions"]
[2047,"NC(=O)C(Br)(Br)C#N\n\n\n","N#CC(C(=O)N)(Br)Br","N#CC(C(=O)N)(Br)Br","",1,"2,2-DIBROMO-2-CYANOACETAMIDE(1)","10222-01-2(1)","3906","High Reliability","-"]
[2048,"OC(=O)C=C(Br)Br\n\n\n","BrC(=CC(=O)O)Br","O=C(O)C=C(Br)Br","",1,"2-Propenoic acid, 3,3-dibromo-(1)","1578-21-8(1)","2932","Medium Reliability","-"]
[2049,"OC(=O)C(I)=CBr\n\n\n","OC(=O)C(=CBr)I","O=C(O)C(=CBr)I","",1,"3-Bromo-2-iodo-acrylic acid(1)","39121-35-2(1)","4703","Medium Reliability","-"]
[2050,"FC(F)OC(Cl)C(F)(F)F\n\n\n","FC(OC(C(F)(F)F)Cl)F","FC(F)OC(C(F)(F)F)Cl","",1,"ISOFLURANE(1)","26675-46-7(1)","4426","High Reliability","-"]
[2051,"FC(F)OC(F)(F)C(F)Cl\n\n\n","FC(OC(C(Cl)F)(F)F)F","FC(F)OC(F)(F)C(F)Cl","",1,"ETHRANE [HALOETHER](1)","13838-16-9(1)","4000","Medium Reliability","-"]
[2052,"N#CCC#N\n\n\n","N#CCC#N","N#CCC#N","",1,"MALONONITRILE(1)","109-77-3(1)","1145","High Reliability","-"]
[2053,"O=C1NC(=O)C(=O)N1\n\n\n","O=C1NC(=O)C(=O)N1","O=C1NC(=O)C(=O)N1","",1,"Imidazolidinetrione(1)","120-89-8(1)","1366","High Reliability","-"]
[2054,"BrCC#C\n\n\n","BrCC#C","C#CCBr","",1,"1-Propyne, 3-bromo-(1)","106-96-7(1)","1018","High Reliability","-"]
[2055,"ClC(Cl)C(Cl)C(Cl)Cl\n\n\n","ClC(C(Cl)Cl)C(Cl)Cl","C(C(Cl)Cl)(C(Cl)Cl)Cl","",1,"1,1,2,3,3-PENTACHLOROPROPANE(1)","15104-61-7(1)","4053","High Reliability","-"]
[2056,"C=CC#N\n\n\n","C=CC#N","N#CC=C","",1,"ACRYLONITRILE(1)","107-13-1(1)","1033","High Reliability","-"]
[2057,"Oc1nc(O)nc(O)n1\nO=c1[nH]c(=O)[nH]c(=O)[nH]1\n\n","Oc1nc(O)nc(n1)O","Oc1nc(O)nc(O)n1","",1,"CYANURIC ACID(1)","108-80-5(1)","1101","High Reliability","-"]
[2058,"o1cccn1\n\n\n","c1ccno1","n1occc1","",1,"ISO-OXAZOLE(1)","288-14-2(1)","1679","Medium Reliability","-"]
[2059,"O=C1CSC(=S)N1\n\n\n","O=C1CSC(=S)N1","O=C1NC(=S)SC1","",1,"4-Thiazolidinone, 2-thioxo-(1)","141-84-4(1)","1573","High Reliability","-"]
[2060,"CC#C\n\n\n","CC#C","C#CC","",1,"PROPYNE(1)","74-99-7(1)","321","High Reliability","-"]
[2061,"ClCC(Cl)=C\nCC(Cl)=CCl\n\n","ClCC(=C)Cl","C=C(CCl)Cl","",2,"2,3-DICHLOROPROPENE(1), 1,2-DICHLOROPROPENE(1)","78-88-6(1), 563-54-2(1)","454, 2180","High Reliability","Stereochemistry removed"]
[2062,"ClCC=CCl\n\n\n","ClCC=CCl","C(=CCl)CCl","",2,"1,3-DICHLOROPROPENE, (Z)(1), 1,3-DICHLOROPROPENE (TRANS)(1)","10061-01-5(1), 10061-02-6(1)","3898, 3899","Medium Reliability","Stereochemistry removed"]
[2063,"COC(F)(F)C(Cl)Cl\n\n\n","COC(C(Cl)Cl)(F)F","FC(F)(OC)C(Cl)Cl","",1,"METHOXYFLURANE(1)","76-38-0(1)","396","High Reliability","-"]
[2064,"CC(Cl)(Cl)C(O)=O\n\n\n","OC(=O)C(Cl)(Cl)C","O=C(O)C(C)(Cl)Cl","",1,"DALAPON(1)","75-99-0(1)","378","High Reliability","-"]
[2065,"NC(=O)OCC(Cl)(Cl)Cl\nCC(Cl)OC(=O)N(Cl)Cl\n\n","NC(=O)OCC(Cl)(Cl)Cl","O=C(OCC(Cl)(Cl)Cl)N","",1,"trichlorourethan(1)","107-69-7(1)","1051","High Reliability","Name verified in PubChem"]
[2066,"ClCC(Cl)(Cl)CCl\n\n\n","ClCC(CCl)(Cl)Cl","C(C(CCl)(Cl)Cl)Cl","",1,"PROPANE, 1,2,2,3-TETRACHLORO-(1)","13116-53-5(1)","3954","High Reliability","-"]
[2067,"Nc1nc(Cl)nc(N)n1\n\n\n","Nc1nc(N)nc(n1)Cl","n1c(nc(nc1N)Cl)N","",1,"2-CHLORO-4,6-DIAMINO-S-TRIAZINE(1)","3397-62-4(1)","3377","High Reliability","-"]
[2068,"NC(=O)C(Cl)=C\n\n\n","ClC(=C)C(=O)N","O=C(N)C(=C)Cl","",1,"2-Propenamide, 2-chloro-(1)","16490-68-9(1)","4104","High Reliability","-"]
[2069,"[nH]1cccn1\n\n\n","c1ccn[nH]1","n1ccc[nH]1","",1,"PYRAZOLE(1)","288-13-1(1)","1678","High Reliability","-"]
[2070,"NC(=O)CC#N\n\n\n","NC(=O)CC#N","N#CCC(=O)N","",1,"Acetamide, 2-cyano-(1)","107-91-5(1)","1058","High Reliability","-"]
[2071,"O=C1CNC(=O)N1\n\n\n","O=C1NCC(=O)N1","O=C1NC(=O)CN1","",1,"HYDANTOIN(1)","461-72-3(1)","1804","High Reliability","-"]
[2072,"OS(=O)(=O)c1cnc[nH]1\nOS(=O)(=O)c1c[nH]cn1\n\n","OS(=O)(=O)c1[nH]cnc1","O=S(=O)(O)c1cnc[nH]1","",1,"1H-Imidazole-4-sulfonic acid(1)","60634-74-4(1)","4997","Medium Reliability","Checked on PubChem"]
[2073,"OS(=O)(=O)c1ncc[nH]1\n\n\n","OS(=O)(=O)c1ncc[nH]1","O=S(=O)(O)c1ncc[nH]1","",1,"1H-Imidazole-2-sulfonic acid(1)","53744-47-1(1)","4876","Medium Reliability","-"]
[2074,"Cc1cnns1\n\n\n","Cc1cnns1","n1nsc(c1)C","",1,"1,2,3-THIADIAZOLE, 5-METHYL-(1)","50406-54-7(1)","4781","High Reliability","-"]
[2075,"Nc1nc(=O)[nH]c(=O)[nH]1\n\n\n","Nc1nc(=O)[nH]c(=O)[nH]1","O=C1N=C(N)NC(=O)N1","",1,"1,3,5-Triazin-2,4-dione, 6-amino-(1)","645-93-2(1)","2616","Medium Reliability","-"]
[2076,"C=CC=O\nOCC#C\n\n","C=CC=O","O=CC=C","",2,"ACROLEIN(1), PROPARGYL ALCOHOL(1)","107-02-8(1), 107-19-7(1)","1023, 1037","High Reliability","-"]
[2077,"OC(=O)C=C\n\n\n","OC(=O)C=C","O=C(O)C=C","",1,"ACRYLIC ACID(1)","79-10-7(1)","466","High Reliability","-"]
[2078,"O=CC1CO1\n\n\n","C1OC1C=O","O=CC1OC1","",1,"GLYCIDYLALDEHYDE(1)","765-34-4(1)","2681","High Reliability","-"]
[2079,"O=C1CCO1\n\n\n","C1COC1=O","O=C1OCC1","",1,"BETA-PROPIOLACTONE(1)","57-57-8(1)","132","High Reliability","-"]
[2080,"CC(=O)C(O)=O\n\n\n","OC(=O)C(=O)C","O=C(O)C(=O)C","",1,"PYRUVIC ACID(1)","127-17-3(1)","1469","High Reliability","-"]
[2081,"O=C1OCCO1\n\n\n","O=C1OCCO1","O=C1OCCO1","",1,"1,3-DIOXOLAN-2-ONE(1)","96-49-1(1)","780","High Reliability","-"]
[2082,"OC(=O)CC(O)=O\n\n\n","OC(=O)CC(=O)O","O=C(O)CC(=O)O","",1,"MALONIC ACID(1)","141-82-2(1)","1572","High Reliability","-"]
[2083,"BrCC=C\n\n\n","BrCC=C","C=CCBr","",1,"3-BROMO-1-PROPENE(1)","106-95-6(1)","1017","High Reliability","-"]
[2084,"ClCC(Br)CBr\n\n\n","ClCC(CBr)Br","C(C(CBr)Br)Cl","",1,"1,2-DIBROMO-3-CHLOROPROPANE(1)","96-12-8(1)","765","High Reliability","-"]
[2085,"ClCC=C\n\n\n","ClCC=C","C=CCCl","",1,"3-CHLOROPROPYLENE(1)","107-05-1(1)","1026","Medium Reliability","-"]
[2086,"NC(=O)C(Cl)CCl\n\n\n","NC(=O)C(CCl)Cl","O=C(N)C(CCl)Cl","",1,"Propanamide, 2,3-dichloro-(1)","19433-84-2(1)","4226","High Reliability","Checked on PubChem, Checked on ChemID"]
[2087,"CCC(Cl)(Cl)[N+]([O-])=O\n\n\n","CCC([N+](=O)[O-])(Cl)Cl","O=[N+]([O-])C(CC)(Cl)Cl","",1,"1,1-Dichloro-1-nitropropane(1)","595-44-8(1)","2332","High Reliability","-"]
[2088,"CC(Cl)C(Cl)Cl\n\n\n","ClC(C(Cl)C)Cl","CC(C(Cl)Cl)Cl","",1,"1,1,2-TRICHLOROPROPANE(1)","598-77-6(1)","2352","High Reliability","-"]
[2089,"CCC(Cl)(Cl)Cl\n\n\n","CCC(Cl)(Cl)Cl","CCC(Cl)(Cl)Cl","",1,"1,1,1-TRICHLOROPROPANE(1)","7789-89-1(1)","3886","High Reliability","-"]
[2090,"ClCC(Cl)CCl\n\n\n","ClCC(CCl)Cl","C(C(CCl)Cl)Cl","",1,"1,2,3-TRICHLOROPROPANE(1)","96-18-4(1)","768","High Reliability","-"]
[2091,"NC(=O)NC(O)C(Cl)(Cl)Cl\n\n\n","OC(C(Cl)(Cl)Cl)NC(=O)N","O=C(N)NC(O)C(Cl)(Cl)Cl","",1,"Urea, (2,2,2-trichloro-1-hydroxyethyl)-(1)","2000-40-0(1)","3061","High Reliability","Checked on PubChem, Checked on ChemID"]
[2092,"CC(O)C(Cl)(Cl)Cl\n\n\n","CC(C(Cl)(Cl)Cl)O","OC(C)C(Cl)(Cl)Cl","",1,"1,1,1-Trichloro-2-propanol(1)","76-00-6(1)","379","High Reliability","Checked on PubChem, Checked on ChemID"]
[2093,"CC(=O)CCl\n\n\n","CC(=O)CCl","O=C(C)CCl","",1,"CHLOROACETONE(1)","78-95-5(1)","457","High Reliability","-"]
[2094,"ClCC1CO1\n\n\n","ClCC1CO1","O1CC1CCl","",1,"1-CHLORO-2,3-EPOXYPROPANE(1)","106-89-8(1)","1014","High Reliability","-"]
[2095,"CC(Cl)C(O)=O\n\n\n","CC(C(=O)O)Cl","O=C(O)C(C)Cl","",1,"2-CHLOROPROPIONIC ACID(1)","598-78-7(1)","2353","High Reliability","-"]
[2096,"COC(=O)CCl\n\n\n","COC(=O)CCl","O=C(OC)CCl","",1,"METHYL CHLOROACETATE(1)","96-34-4(1)","775","High Reliability","-"]
[2097,"CC(O)C(F)(F)F\n\n\n","CC(C(F)(F)F)O","FC(F)(F)C(O)C","",1,"1,1,1-TRIFLUORO-2-PROPANOL(1)","374-01-6(1)","1764","High Reliability","-"]
[2098,"OC(=O)CCI\n\n\n","OC(=O)CCI","O=C(O)CCI","",1,"3-IODOPROPIONIC ACID(1)","141-76-4(1)","1569","Medium Reliability","-"]
[2099,"CCC#N\n\n\n","CCC#N","N#CCC","",1,"PROPIONITRILE(1)","107-12-0(1)","1032","High Reliability","-"]
[2100,"NC(=O)C(=NO)C(N)=O\n\n\n","ON=C(C(=O)N)C(=O)N","O=C(N)C(=NO)C(=O)N","",1,"Propanediamide, 2-(hydroxyimino)-(1)","71721-66-9(1)","5168","High Reliability","-"]
[2101,"[O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O\nOCC(O)CO.O[N+]([O-])=O.O[N+]([O-])=O.O[N+]([O-])=O\n\n","[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(O[N+](=O)[O-])CO[N+](=O)[O-]","",1,"1,2,3-propanetrioltrinitrate(1)","55-63-0(1)","85","High Reliability","Name verified in PubChem"]
[2102,"COc1nsc(N)n1\n\n\n","COc1nsc(n1)N","n1c(nsc1N)OC","",1,"1,2,4-Thiadiazol-5-amine, 3-methoxy-(1)","98022-43-6(1)","5412","Medium Reliability","-"]
[2103,"Nc1nc(N)nc(=O)[nH]1\nNc1nc(=O)nc(N)[nH]1\n\n","Nc1nc(N)[nH]c(=O)n1","O=C1N=C(N=C(N)N1)N","",1,"1,3,5-Triazin-2(1H)-one, 4,6-diamino-(1)","645-92-1(1)","2615","High Reliability","-"]
[2104,"NC(=O)C=C\n\n\n","NC(=O)C=C","O=C(N)C=C","",1,"ACRYLAMIDE(1)","79-06-1(1)","462","High Reliability","-"]
[2105,"OCCC#N\n\n\n","OCCC#N","N#CCCO","",1,"ETHYLENE CYANOHYDRIN(1)","109-78-4(1)","1146","High Reliability","-"]
[2106,"NC(=S)SCC(O)=O\n\n\n","OC(=O)CSC(=S)N","O=C(O)CSC(N)=S","",1,"Acetic acid, [(aminothioxomethyl)thio]-(1)","29596-83-6(1)","4489","Medium Reliability","-"]
[2107,"OC(=O)CNC=O\n\n\n","O=CNCC(=O)O","O=CNCC(=O)O","",1,"Glycine, N-formyl-(1)","2491-15-8(1)","3220","High Reliability","-"]
[2108,"C1CC1\n\n\n","C1CC1","C1CC1","",1,"CYCLOPROPANE(1)","75-19-4(1)","335","High Reliability","-"]
[2109,"CC=C\n\n\n","CC=C","C=CC","",1,"PROPENE(1)","115-07-1(1)","1270","High Reliability","-"]
[2110,"CC(Br)CBr\n\n\n","BrCC(Br)C","CC(CBr)Br","",1,"1,2-DIBROMOPROPANE(1)","78-75-1(1)","444","High Reliability","-"]
[2111,"BrCCCBr\n\n\n","BrCCCBr","C(CBr)CBr","",1,"1,3-DIBROMOPROPANE(1)","109-64-8(1)","1136","High Reliability","-"]
[2112,"OCC(Br)CBr\n\n\n","OCC(CBr)Br","OCC(CBr)Br","",1,"2,3-DIBROMO-1-PROPANOL(1)","96-13-9(1)","766","High Reliability","-"]
[2113,"CC(Br)CCl\n\n\n","CC(CCl)Br","CC(CCl)Br","",1,"2-BROMO-1-CHLOROPROPANE(1)","3017-95-6(1)","3314","High Reliability","-"]
[2114,"ClCCCBr\n\n\n","ClCCCBr","C(CCl)CBr","",1,"1-CHLORO-3-BROMOPROPANE(1)","109-70-6(1)","1142","High Reliability","-"]
[2115,"OCC(Br)(CO)[N+]([O-])=O\n\n\n","OCC([N+](=O)[O-])(CO)Br","O=[N+]([O-])C(CO)(CO)Br","",1,"1,3-Propanediol, 2-bromo-2-nitro-(1)","52-51-7(1)","62","High Reliability","-"]
[2116,"CCC(Cl)Cl\n\n\n","CCC(Cl)Cl","CCC(Cl)Cl","",2,"1,1-Dichloropropane(1), DICHLOROPROPANE(1)","78-99-9(1), 26638-19-7(1)","459, 4425","High Reliability","Manual Check passed"]
[2117,"CC(Cl)CCl\n\n\n","ClCC(Cl)C","CC(CCl)Cl","",1,"1,2-DICHLOROPROPANE(1)","78-87-5(1)","453","High Reliability","-"]
[2118,"ClCCCCl\n\n\n","ClCCCCl","C(CCl)CCl","",1,"1,3-DICHLOROPROPANE(1)","142-28-9(1)","1579","High Reliability","-"]
[2119,"OC(CCl)CCl\n\n\n","ClCC(CCl)O","OC(CCl)CCl","",1,"1,3-DICHLORO-2-PROPANOL(1)","96-23-1(1)","771","High Reliability","-"]
[2120,"CCC(Cl)[N+]([O-])=O\n\n\n","[O-][N+](=O)C(CC)Cl","O=[N+]([O-])C(CC)Cl","",1,"1-Chloro-1-nitropropane(1)","600-25-9(1)","2363","High Reliability","-"]
[2121,"CC(CCl)[N+]([O-])=O\n\n\n","[O-][N+](=O)C(CCl)C","O=[N+]([O-])C(C)CCl","",1,"1-Chloro-2-nitropropane(1)","37809-02-2(1)","4653","High Reliability","Stereochemistry removed"]
[2122,"COCC(F)F\n\n\n","COCC(F)F","FC(F)COC","",1,"Ethane, 1,1-difluoro-2-methoxy-(1)","461-57-4(1)","1802","Medium Reliability","-"]
[2123,"OC(CI)CI\n\n\n","ICC(CI)O","OC(CI)CI","",1,"2-PROPANOL, 1,3-DIIODO-(1)","534-08-7(1)","2028","High Reliability","-"]
[2124,"CC(=O)NC(N)=O\n\n\n","CC(=O)NC(=O)N","O=C(N)NC(=O)C","",1,"Acetamide, N-(aminocarbonyl)-(1)","591-07-1(1)","2295","High Reliability","-"]
[2125,"CC(C=NO)=NO\nCC(NO)=CN=O\n\n","ON=CC(=NO)C","ON=CC(=NO)C","",1,"Propanal, 2-(hydroxyimino)-, oxime(1)","1804-15-5(1)","2988","High Reliability","Stereochemistry removed"]
[2126,"CN(N=O)C(C)=O\n\n\n","O=NN(C(=O)C)C","O=NN(C(=O)C)C","",1,"N-Methyl-N-nitrosoacetamide(1)","7417-67-6(1)","3840","High Reliability","-"]
[2127,"NC(=O)CC(N)=O\n\n\n","NC(=O)CC(=O)N","O=C(N)CC(=O)N","",1,"Propanediamide(1)","108-13-4(1)","1070","High Reliability","-"]
[2128,"CN(CC(O)=O)N=O\n\n\n","O=NN(CC(=O)O)C","O=NN(C)CC(=O)O","",1,"N-NITROSOSARCOSINE(1)","13256-22-9(1)","3964","High Reliability","-"]
[2129,"NC(=O)NCC(O)=O\n\n\n","NC(=O)NCC(=O)O","O=C(N)NCC(=O)O","",1,"N-(AMINOCARBONYL)GLYCINE(1)","462-60-2(1)","1809","Medium Reliability","-"]
[2130,"CC(O)C(N(=O)=O)N(=O)=O\nCC(O)C([N+]([O-])=O)[N+]([O-])=O\n\n","CC(C([N+](=O)[O-])[N+](=O)[O-])O","O=[N+]([O-])C([N+](=O)[O-])C(O)C","",1,"2-Propanol, 1,1-dinitro-(1)","89167-84-0(1)","5334","Medium Reliability","-"]
[2131,"OC(CO[N+]([O-])=O)CO[N+]([O-])=O\n\n\n","OC(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(O)CO[N+](=O)[O-]","",1,"1,2,3-PROPANETRIOL, 1,3-DINITRATE(1)","623-87-0(1)","2499","High Reliability","Checked on PubChem, Checked on ChemID"]
[2132,"CC(=O)NC(N)=S\n\n\n","CC(=O)NC(=S)N","O=C(NC(N)=S)C","",1,"1-ACETYL-2-THIOUREA(1)","591-08-2(1)","2296","High Reliability","-"]
[2133,"S=C1NCCN1\n\n\n","S=C1NCCN1","N1C(NCC1)=S","",1,"ETHYLENETHIOUREA(1)","96-45-7(1)","777","High Reliability","-"]
[2134,"Nc1nc(N)nc(N)n1\n\n\n","Nc1nc(N)nc(n1)N","n1c(nc(nc1N)N)N","",1,"MELAMINE(1)","108-78-1(1)","1100","High Reliability","-"]
[2135,"[O-][N+](=O)N1CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)N1CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])C1","",1,"1,3,5,-TRINITROHEXAHYDRO-1,3,5-TRIAZINE(1)","121-82-4(1)","1381","Medium Reliability","-"]
[2136,"OCC=C\nCCC=O\n\n","OCC=C","OCC=C","",2,"ALLYL ALCOHOL(1), PROPIONALDEHYDE(1)","107-18-6(1), 123-38-6(1)","1036, 1415","High Reliability","-"]
[2137,"C1COC1\n\n\n","C1CCO1","O1CCC1","",1,"TRIMETHYLENEOXIDE(1)","503-30-0(1)","1923","High Reliability","-"]
[2138,"CC(C)=O\n\n\n","CC(=O)C","O=C(C)C","",1,"ACETONE(1)","67-64-1(1)","252","High Reliability","-"]
[2139,"CC1CO1\n\n\n","CC1CO1","O1CC1C","",1,"PROPYLENE OXIDE(1)","75-56-9(1)","355","High Reliability","-"]
[2140,"COC=C\n\n\n","COC=C","O(C=C)C","",1,"METHYLVINYLETHER(1)","107-25-5(1)","1040","High Reliability","-"]
[2141,"CCC(O)=O\n[Na+].CCC([O-])=O\n[Zn+2].CCC([O-])=O.CCC([O-])=O\n","CCC(=O)O","O=C(O)CC","",3,"PROPIONIC ACID(1), Sodium Propionate(1), Zinc Propionate(1)","79-09-4(1), 137-40-6(1), 557-28-8(1)","465, 1533, 2165","High Reliability","Organic counterion"]
[2142,"CCOC=O\n\n\n","CCOC=O","O=COCC","",1,"ETHYL FORMATE(1)","109-94-4(1)","1155","High Reliability","-"]
[2143,"C1COCO1\n\n\n","C1OCCO1","O1COCC1","",1,"1,3-DIOXALANE(1)","646-06-0(1)","2618","Medium Reliability","-"]
[2144,"COC(C)=O\n\n\n","COC(=O)C","O=C(OC)C","",1,"METHYL ACETATE(1)","79-20-9(1)","470","High Reliability","-"]
[2145,"CC(=O)CO\n\n\n","CC(=O)CO","O=C(C)CO","",1,"HYDROXYACETONE(1)","116-09-6(1)","1296","High Reliability","-"]
[2146,"OCC1CO1\n\n\n","OCC1CO1","OCC1OC1","",1,"OXIRANEMETHANOL(1)","556-52-5(1)","2158","High Reliability","-"]
[2147,"OC(=O)C(S)CS\n\n\n","OC(=O)C(CS)S","O=C(O)C(CS)S","",1,"Propanoic acid, 2,3-dimercapto-(1)","6220-25-3(1)","3716","High Reliability","-"]
[2148,"CC(O)C(O)=O\n[Na+].CC(O)C([O-])=O\n\n","OC(=O)C(O)C","O=C(O)C(O)C","",3,"LACTIC ACID(1), Sodium Lactate(1), A-HYDROXYPROPIONIC ACID(1)","50-21-5(1), 72-17-3(1), 598-82-3(1)","10, 290, 2354","High Reliability","Stereochemistry removed"]
[2149,"C1OCOCO1\n\n\n","O1COCOC1","O1COCOC1","",1,"1,3,5-TRIOXANE(1)","110-88-3(1)","1196","High Reliability","-"]
[2150,"COCC(O)=O\n\n\n","COCC(=O)O","O=C(O)COC","",1,"METHOXYACETIC ACID(1)","625-45-6(1)","2518","High Reliability","-"]
[2151,"OCC(O)C(O)=O\n[K+].OCC(O)C([O-])=O\n\n","OCC(C(=O)O)O","O=C(O)C(O)CO","",1,"Glyceric Acid(1)","473-81-4(1)","1834","High Reliability","Checked on PubChem, Checked on ChemID"]
[2152,"CCCBr\n\n\n","CCCBr","CCCBr","",1,"1-BROMOPROPANE(1)","106-94-5(1)","1016","High Reliability","-"]
[2153,"CC(C)Br\n\n\n","CC(Br)C","CC(C)Br","",1,"2-BROMOPROPANE(1)","75-26-3(1)","338","High Reliability","-"]
[2154,"OCCCBr\n\n\n","OCCCBr","OCCCBr","",1,"3-BROMOPROPANOL(1)","627-18-9(1)","2541","High Reliability","-"]
[2155,"CCCCl\n\n\n","CCCCl","CCCCl","",1,"1-CHLOROPROPANE(1)","540-54-5(1)","2069","High Reliability","-"]
[2156,"CC(C)Cl\n\n\n","CC(Cl)C","CC(C)Cl","",1,"2-CHLOROPROPANE(1)","75-29-6(1)","341","High Reliability","-"]
[2157,"COCCCl\n\n\n","COCCCl","O(C)CCCl","",1,"Ethane, 1-chloro-2-methoxy-(1)","627-42-9(1)","2545","High Reliability","-"]
[2158,"OCCCCl\n\n\n","OCCCCl","OCCCCl","",1,"3-CHLORO-1-PROPANOL(1)","627-30-5(1)","2544","High Reliability","-"]
[2159,"OCC(O)CCl\n\n\n","OCC(CCl)O","OCC(O)CCl","",1,"3-CHLORO-1,2-PROPANEDIOL(1)","96-24-2(1)","772","High Reliability","-"]
[2160,"CC(C)I\n\n\n","CC(I)C","CC(C)I","",1,"2-IODOPROPANE(1)","75-30-9(1)","342","High Reliability","-"]
[2161,"NCC=C\n\n\n","NCC=C","C=CCN","",1,"ALLYLAMINE(1)","107-11-9(1)","1031","High Reliability","-"]
[2162,"CC1CN1\n\n\n","CC1CN1","N1CC1C","",1,"2-METHYLAZIRIDINE(1)","75-55-8(1)","354","High Reliability","-"]
[2163,"CC=NNC(N)=O\n\n\n","CC=NNC(=O)N","O=C(N)NN=CC","",1,"Hydrazinecarboxamide, 2-ethylidene-(1)","591-86-6(1)","2308","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[2164,"CCN(N=O)C(N)=O\n\n\n","CCN(C(=O)N)N=O","O=NN(C(=O)N)CC","",1,"N-ETHYL-N-NITROSOUREA(1)","759-73-9(1)","2670","High Reliability","-"]
[2165,"CNC(C)=O\n\n\n","CNC(=O)C","O=C(NC)C","",1,"N-METHYLACETAMIDE(1)","79-16-3(1)","468","High Reliability","-"]
[2166,"CN(C)C=O\n\n\n","O=CN(C)C","O=CN(C)C","",1,"N,N'-DIMETHYLFORMAMIDE(1)","68-12-2(1)","259","Medium Reliability","-"]
[2167,"CC(N)C(O)=O\n\n\n","CC(C(=O)O)N","O=C(O)C(N)C","",3,"ALANINE(2), D-Alanine(1)","56-41-7(1), 302-72-7(1), 338-69-2(1)","96, 1710, 1743","High Reliability","Stereochemistry removed"]
[2168,"CC(O)C(N)=O\n\n\n","CC(C(=O)N)O","O=C(N)C(O)C","",1,"Propanamide, 2-hydroxy-(1)","2043-43-8(1)","3073","High Reliability","Checked on PubChem, Checked on ChemID"]
[2169,"CCC[N+]([O-])=O\n\n\n","[O-][N+](=O)CCC","O=[N+]([O-])CCC","",1,"1-NITROPROPANE(1)","108-03-2(1)","1065","High Reliability","-"]
[2170,"CCOC(N)=O\nCCOC(N)=O.CCOC(N)=O\n\n","CCOC(=O)N","O=C(OCC)N","",1,"O-ETHYL CARBAMATE (URETHANE)(1)","51-79-6(1)","54","Medium Reliability","-"]
[2171,"CC(C)[N+]([O-])=O\n\n\n","CC([N+](=O)[O-])C","O=[N+]([O-])C(C)C","",1,"2-NITROPROPANE(1)","79-46-9(1)","479","High Reliability","-"]
[2172,"CNCC(O)=O\n\n\n","CNCC(=O)O","O=C(O)CNC","",1,"N-METHYL GLYCINE(1)","107-97-1(1)","1062","Medium Reliability","-"]
[2173,"NCCC(O)=O\n\n\n","NCCC(=O)O","O=C(O)CCN","",1,"BETA-ALANINE(1)","107-95-9(1)","1061","High Reliability","-"]
[2174,"NC(CS)C(O)=O\n\n\n","NC(C(=O)O)CS","O=C(O)C(N)CS","",1,"CYSTEINE(1)","52-90-4(1)","67","High Reliability","Stereochemistry removed"]
[2175,"CCCO[N+]([O-])=O\n\n\n","[O-][N+](=O)OCCC","O=[N+]([O-])OCCC","",1,"1-PROPYLNITRATE(1)","627-13-4(1)","2540","High Reliability","-"]
[2176,"CC(C)O[N+]([O-])=O\n\n\n","CC(O[N+](=O)[O-])C","O=[N+]([O-])OC(C)C","",1,"ISOPROPYL NITRATE(1)","1712-64-7(1)","2970","High Reliability","-"]
[2177,"NCC(O)C(O)=O\n\n\n","NCC(C(=O)O)O","O=C(O)C(O)CN","",2,"Propanoic acid, 3-amino-2-hydroxy-(1), Isoserine(1)","565-71-9(1), 632-12-2(1)","2194, 2579","High Reliability","Checked on PubChem, Checked on ChemID, Manual Check passed"]
[2178,"NC(CO)C(O)=O\n\n\n","OCC(C(=O)O)N","O=C(O)C(N)CO","",4,"SERINE(1), DL-Serine(1), D-Serine(1), Serine(1)","56-45-1(1), 302-84-1(1), 312-84-5(1), 6898-95-9(1)","97, 1711, 1719, 3791","High Reliability","Stereochemistry removed"]
[2179,"OC(=O)CCP(O)(O)=O\n\n\n","OC(=O)CCP(=O)(O)O","O=C(O)CCP(=O)(O)O","",1,"Propanoic acid, 3-phosphono-(1)","5962-42-5(1)","3685","High Reliability","-"]
[2180,"CCC\n\n\n","CCC","CCC","",1,"PROPANE(1)","74-98-6(1)","320","High Reliability","-"]
[2181,"CCN(C)N=O\n\n\n","CN(N=O)CC","O=NN(C)CC","",1,"N-METHYL-N-NITROSOETHAMINE(1)","10595-95-6(1)","3929","Medium Reliability","-"]
[2182,"CNS#CNCO\n\n\n","CNS#CNCO","OCNC#SNC","",1,"Noxythiolin(1)","15599-39-0(1)","4074","Medium Reliability","-"]
[2183,"NC(=O)NCNC(N)=O\n\n\n","NC(=O)NCNC(=O)N","O=C(N)NCNC(=O)N","",1,"Urea, N,N''-methylenebis-(1)","13547-17-6(1)","3988","High Reliability","-"]
[2184,"NNC(=O)CC(=O)NN\n\n\n","NNC(=O)CC(=O)NN","O=C(NN)CC(=O)NN","",1,"Propanedioic acid, dihydrazide(1)","3815-86-9(1)","3437","High Reliability","-"]
[2185,"[NH4+].CCOP([O-])(=O)C(N)=O\n\n\n","CCOP(=O)(C(=O)N)O","O=C(N)P(=O)(O)OCC","",1,"FOSAMINE AMMONIUM SALT(1)","25954-13-6(1)","4411","High Reliability","-"]
[2186,"CC(C)N.OC(=O)CNCP(O)(O)=O\nOC(=O)CNCP(O)(O)=O\n\n","OC(=O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O","",3,"Glyphosate isopropylamine salt(1), GLYPHOSPHATE(1), GLYPHOSATE-AMMONIUM(1)","38641-94-0(1), 1071-83-6(1), 40465-66-5(1)","4692, 2811, 4731","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID, Manual Check passed"]
[2187,"CCCO\n\n\n","CCCO","OCCC","",1,"1-PROPANOL(1)","71-23-8(1)","282","High Reliability","-"]
[2188,"CC(C)O\n\n\n","CC(O)C","OC(C)C","",1,"ISOPROPANOL(1)","67-63-0(1)","251","High Reliability","-"]
[2189,"CCOC\n\n\n","COCC","O(C)CC","",1,"ETHYL METHYL ETHER(1)","540-67-0(1)","2071","High Reliability","-"]
[2190,"CC(O)CO\n\n\n","OCC(O)C","OCC(O)C","",1,"1,2-PROPANEDIOL(1)","57-55-6(1)","131","High Reliability","-"]
[2191,"COCOC\n\n\n","COCOC","O(C)COC","",1,"DIMETHOXYMETHANE(1)","109-87-5(1)","1151","High Reliability","-"]
[2192,"COCCO\n\n\n","COCCO","OCCOC","",1,"2-METHOXYETHANOL(1)","109-86-4(1)","1150","High Reliability","-"]
[2193,"OCC(O)CO\n\n\n","OCC(CO)O","OCC(O)CO","",1,"GLYCEROL(1)","56-81-5(1)","107","High Reliability","-"]
[2194,"OCC(S)CS\n\n\n","OCC(CS)S","OCC(CS)S","",1,"1-Propanol, 2,3-dimercapto-(1)","59-52-9(1)","172","High Reliability","-"]
[2195,"CCCS\n\n\n","CCCS","CCCS","",1,"1-PROPANETHIOL(1)","107-03-9(1)","1024","High Reliability","-"]
[2196,"CCCN\n\n\n","CCCN","NCCC","",1,"PROPYLAMINE(1)","107-10-8(1)","1030","High Reliability","-"]
[2197,"CC(C)N\n\n\n","CC(N)C","NC(C)C","",1,"ISOPROPYLAMINE(1)","75-31-0(1)","343","High Reliability","-"]
[2198,"CN(C)C\n\n\n","CN(C)C","N(C)(C)C","",1,"TRIMETHYLAMINE(1)","75-50-3(1)","352","High Reliability","-"]
[2199,"CN(C)C(N)=N\n\n\n","CN(C(=N)N)C","N=C(N)N(C)C","",1,"DIMETHYLGUANIDINE(1)","3324-71-8(1)","3368","High Reliability","-"]
[2200,"CC(O)CN\n\n\n","CC(CN)O","OC(C)CN","",1,"1-AMINO-2-PROPANOL(1)","78-96-6(1)","458","High Reliability","-"]
[2201,"CNCCO\n\n\n","CNCCO","OCCNC","",1,"2-(METHYLAMINO)ETHANOL(1)","109-83-1(1)","1148","High Reliability","-"]
[2202,"COP(C)(=O)OC\n\n\n","COP(=O)(OC)C","O=P(OC)(OC)C","",1,"Phosphonic acid, methyl-, dimethyl ester(1)","756-79-6(1)","2668","High Reliability","-"]
[2203,"COP(=O)(OC)OC\n\n\n","COP(=O)(OC)OC","O=P(OC)(OC)OC","",1,"TRIMETHYL PHOSPHATE(1)","512-56-1(1)","1952","High Reliability","-"]
[2204,"OCC(O)COP(O)(O)=O\n\n\n","OCC(COP(=O)(O)O)O","O=P(O)(O)OCC(O)CO","",1,"Glycerophosphoric Acid(1)","57-03-4(1)","115","High Reliability","Stereochemistry removed"]
[2205,"OC(=O)C(Br)=C(Cl)Br\n\n\n","ClC(=C(C(=O)O)Br)Br","O=C(O)C(=C(Cl)Br)Br","",1,"Acrylic acid, 2,3-dibromo-3-chloro-(1)","88917-04-8(1)","5331","Medium Reliability","-"]
[2206,"OC(=O)C(Cl)=C(Br)Br\n\n\n","BrC(=C(C(=O)O)Cl)Br","O=C(O)C(=C(Br)Br)Cl","",1,"Acrylic acid, 3,3-dibromo-2-chloro-(1)","88917-05-9(1)","5332","Medium Reliability","-"]
[2207,"OC(=O)C(Br)=C(Br)I\n\n\n","BrC(=C(C(=O)O)Br)I","O=C(O)C(=C(Br)I)Br","",1,"2-Propenoic acid, 2,3-dibromo-3-iodo-(1)","71815-47-9(1)","5170","Medium Reliability","-"]
[2208,"OC(=O)C(Br)=C(Br)Br\n\n\n","BrC(=C(C(=O)O)Br)Br","O=C(O)C(=C(Br)Br)Br","",1,"2-Propenoic acid, 2,3,3-tribromo-(1)","71815-46-8(1)","5169","Medium Reliability","-"]
[2209,"OC(=O)C(I)=C(Br)I\n\n\n","BrC(=C(C(=O)O)I)I","O=C(O)C(=C(Br)I)I","",1,"2-Propenoic acid, 3-bromo-2,3-diiodo-(1)","83442-56-2(1)","5289","Medium Reliability","-"]
[2210,"OC(=O)C(Cl)=C(Cl)Cl\n[O-]C(=O)C(Cl)=C(Cl)Cl\n\n","ClC(=C(C(=O)O)Cl)Cl","O=C(O)C(=C(Cl)Cl)Cl","",1,"2,3,3-TRICHLORO-2-PROPENOIC ACID(1)","2257-35-4(1)","3148","High Reliability","-"]
[2211,"CC1OC(CC(O)C1O)OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC7(C)C(CCC67O)C8=CC(=O)OC8)C4)OC3C)OC2C\n\n\n","O=C1OCC(=C1)C1CCC2(C1(C)CCC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O","O=C1OCC(=C1)C6CCC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(O)C(O)C2)C(O)C3)C(O)C4)CCC5(C)C8(CCC67(C)))","",1,"DIGITOXIN(1)","71-63-6(1)","288","High Reliability","Stereochemistry removed"]
[2212,"CC1OC(CC(O)C1O)OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C7(C)C(CCC67O)C8=CC(=O)OC8)C4)OC3C)OC2C\n\n\n","O=C1OCC(=C1)C1CCC2(C1(C)C(O)CC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O","O=C1OCC(=C1)C6CCC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(O)C(O)C2)C(O)C3)C(O)C4)CCC5(C)C8(CC(O)C67(C)))","",1,"DIGOXIN(1)","20830-75-5(1)","4280","High Reliability","Stereochemistry removed"]
[2213,"COC1C=COC2(C)Oc3c(C2=O)c4c(c(O)c3C)c(O)c(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(C=NN5CCN(C)CC5)c4O\n\n\n","COC1C=COC2(C)Oc3c(C2=O)c2c(O)c(C=NN4CCN(CC4)C)c(c(c2c(c3C)O)O)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C","O=C(OC3C(C)C(OC)C=COC1(Oc4c(C1(=O))c5c(O)c(C=NN2CCN(C)CC2)c(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C3(C))C)c(O)c5(c(O)c4C))C)C","",1,"Rifampin(1)","13292-46-1(1)","3967","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2214,"ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl\n\n\n","ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl","C(C(=C(Cl)Cl)Cl)(=C(Cl)Cl)Cl","",1,"HEXACHLOROBUTADIENE(1)","87-68-3(1)","596","High Reliability","-"]
[2215,"FC1(F)C(F)(F)C(F)(F)C1(F)F\n\n\n","FC1(F)C(F)(F)C(C1(F)F)(F)F","FC1(F)(C(F)(F)C(F)(F)C1(F)(F))","",1,"PERFLUOROCYCLOBUTANE(1)","115-25-3(1)","1277","High Reliability","-"]
[2216,"CCCC\n\n\n","CCCC","CCCC","",1,"N-BUTANE(1)","106-97-8(1)","1019","High Reliability","-"]
[2217,"CC(C)C\n\n\n","CC(C)C","CC(C)C","",1,"2-METHYLPROPANE(1)","75-28-5(1)","340","High Reliability","-"]
[2218,"CC(C)OP(C)(F)=O\n\n\n","CC(OP(=O)(F)C)C","O=P(F)(OC(C)C)C","",1,"SARIN(1)","107-44-8(1)","1046","High Reliability","-"]
[2219,"C1CNCCN1\nCl.Cl.C1CNCCN1\nCl.C1CNCCN1\n[H+].[H+].[Cl-].[Cl-].C1CNCCN1","N1CCNCC1","N1CCNCC1","",2,"PIPERAZINE(1), Piperazine hydrochloride(1)","110-85-0(1), 142-64-3(1)","1194, 1585","High Reliability","Differences in counterions"]
[2220,"CCN(CC)N=O\n\n\n","CCN(N=O)CC","O=NN(CC)CC","",1,"N-NITROSODIETHYLAMINE(1)","55-18-5(1)","80","Medium Reliability","-"]
[2221,"OCCN(CCO)N=O\n\n\n","OCCN(N=O)CCO","O=NN(CCO)CCO","",1,"N-NITROSODIETHANOLAMINE(1)","1116-54-7(1)","2830","High Reliability","-"]
[2222,"CC(NC(O)=N)NC(O)=N\n\n\n","CC(NC(=N)O)NC(=N)O","N=C(O)NC(NC(=N)O)C","",1,"Urea, N,N''-ethylidenebis-(1)","1589-36-2(1)","2936","Medium Reliability","-"]
[2223,"COP(=O)(NC(C)=O)SC\n\n\n","COP(=O)(NC(=O)C)SC","O=C(NP(=O)(OC)SC)C","",1,"ACEPHATE(1)","30560-19-1(1)","4509","High Reliability","-"]
[2224,"CCCCO\n\n\n","CCCCO","OCCCC","",1,"1-BUTANOL(1)","71-36-3(1)","284","High Reliability","-"]
[2225,"CCC(C)O\n\n\n","CCC(O)C","OC(C)CC","",2,"2-BUTANOL(1), 2-Butanol, (.+-.)-(1)","78-92-2(1), 15892-23-6(1)","455, 4082","High Reliability","-"]
[2226,"CCCOC\n\n\n","CCCOC","O(C)CCC","",1,"METHYL PROPYL ETHER(1)","557-17-5(1)","2163","High Reliability","-"]
[2227,"CCOCC\n\n\n","CCOCC","O(CC)CC","",1,"DIETHYL ETHER(1)","60-29-7(1)","186","High Reliability","-"]
[2228,"CC(C)CO\n\n\n","OCC(C)C","OCC(C)C","",1,"ISOBUTYL ALCOHOL(1)","78-83-1(1)","449","High Reliability","-"]
[2229,"COC(C)C\n\n\n","COC(C)C","O(C)C(C)C","",1,"METHYL ISOPROPYL ETHER(1)","598-53-8(1)","2348","High Reliability","-"]
[2230,"CC(C)(C)O\n\n\n","CC(O)(C)C","OC(C)(C)C","",1,"T-BUTANOL(1)","75-65-0(1)","359","High Reliability","-"]
[2231,"CCC(O)CO\n\n\n","CCC(CO)O","OCC(O)CC","",1,"1,2-BUTANEDIOL(1)","584-03-2(1)","2244","High Reliability","-"]
[2232,"CCOCCO\n\n\n","OCCOCC","OCCOCC","",1,"2-Ethoxyethanol(1)","110-80-5(1)","1190","High Reliability","-"]
[2233,"CC(O)C(C)O\n\n\n","CC(C(O)C)O","OC(C)C(O)C","",2,"2,3-BUTANEDIOL(1), 2,3-BUTANEDIOL (MESO)(1)","513-85-9(1), 5341-95-7(1)","1963, 3590","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2234,"COCC(C)O\n\n\n","COCC(O)C","OC(C)COC","",1,"1-METHOXY-2-PROPANOL(1)","107-98-2(1)","1063","High Reliability","-"]
[2235,"COC(C)OC\n\n\n","COC(OC)C","O(C)C(OC)C","",1,"1,1-DIMETHOXYETHANE(1)","534-15-6(1)","2030","High Reliability","-"]
[2236,"CC(O)CCO\n\n\n","OCCC(O)C","OCCC(O)C","",1,"1,3-BUTANEDIOL(1)","107-88-0(1)","1056","High Reliability","-"]
[2237,"COCCOC\n\n\n","COCCOC","O(C)CCOC","",1,"ETHYLENE GLYCOL DIMETHYL ETHER(1)","110-71-4(1)","1187","High Reliability","-"]
[2238,"OCCCCO\n\n\n","OCCCCO","OCCCCO","",1,"1,4-BUTANEDIOL(1)","110-63-4(1)","1183","High Reliability","-"]
[2239,"CCS(=O)(=O)CC\n\n\n","CCS(=O)(=O)CC","O=S(=O)(CC)CC","",1,"DIETHYL SULFONE(1)","597-35-3(1)","2337","High Reliability","Checked on PubChem, Checked on ChemID"]
[2240,"OCCSCCO\n\n\n","OCCSCCO","OCCSCCO","",1,"2,2'-THIOBISETHANOL(1)","111-48-8(1)","1221","High Reliability","-"]
[2241,"CCSS(=O)(=O)CC\n\n\n","CCSS(=O)(=O)CC","O=S(=O)(CC)SCC","",1,"Ethanesulfonothioic acid, S-ethyl ester(1)","682-91-7(1)","2626","High Reliability","-"]
[2242,"OCCOCCO\n\n\n","OCCOCCO","OCCOCCO","",1,"DIETHYLENE GLYCOL(1)","111-46-6(1)","1220","High Reliability","-"]
[2243,"OCC(O)C(O)CO\n\n\n","OCC(C(CO)O)O","OCC(O)C(O)CO","",1,"ERYTHRITOL(1)","149-32-6(1)","1620","High Reliability","Stereochemistry removed"]
[2244,"CCOS(=O)(=O)OCC\n\n\n","CCOS(=O)(=O)OCC","O=S(=O)(OCC)OCC","",1,"DIETHYL SULFATE(1)","64-67-5(1)","230","High Reliability","-"]
[2245,"CC(S(C)(=O)=O)S(C)(=O)=O\n\n\n","CC(S(=O)(=O)C)S(=O)(=O)C","O=S(=O)(C)C(C)S(=O)(=O)C","",1,"Ethane, 1,1-bis(methylsulfonyl)-(1)","38564-69-1(1)","4687","High Reliability","-"]
[2246,"CCSS(=O)CC\n\n\n","CCSS(=O)CC","O=S(CC)SCC","",1,"Ethanesulfinothioic acid, S-ethyl ester(1)","18542-39-7(1)","4200","High Reliability","-"]
[2247,"CCCCS\n\n\n","CCCCS","CCCCS","",1,"BUTANETHIOL(1)","109-79-5(1)","1147","High Reliability","-"]
[2248,"CCC(C)S\n\n\n","CCC(S)C","CCC(C)S","",1,"2-BUTANETHIOL(1)","513-53-1(1)","1961","High Reliability","-"]
[2249,"CCSCC\n\n\n","CCSCC","CCSCC","",1,"DIETHYLSULFIDE(1)","352-93-2(1)","1749","High Reliability","-"]
[2250,"CCSSCC\n\n\n","CCSSCC","CCSSCC","",1,"DIETHYL DISULFIDE(1)","110-81-6(1)","1191","High Reliability","-"]
[2251,"CCCCN\n\n\n","CCCCN","NCCCC","",1,"N-BUTYLAMINE(1)","109-73-9(1)","1143","High Reliability","-"]
[2252,"CCC(C)N\n\n\n","CCC(N)C","NC(C)CC","",1,"SEC-BUTYLAMINE(1)","13952-84-6(1)","4001","High Reliability","-"]
[2253,"CCNCC\n\n\n","CCNCC","N(CC)CC","",1,"DIETHYLAMINE(1)","109-89-7(1)","1152","High Reliability","-"]
[2254,"CC(C)CN\n\n\n","NCC(C)C","NCC(C)C","",1,"ISOBUTYLAMINE(1)","78-81-9(1)","448","High Reliability","-"]
[2255,"CC(C)(C)N\n\n\n","CC(N)(C)C","NC(C)(C)C","",1,"T-BUTYLAMINE(1)","75-64-9(1)","358","High Reliability","-"]
[2256,"CCC(N)CO\n\n\n","CCC(CO)N","OCC(N)CC","",1,"2-Amino-1-butanol(1)","96-20-8(1)","769","High Reliability","-"]
[2257,"CCC(O)CN\n\n\n","CCC(CN)O","OC(CN)CC","",1,"1-Amino-2-butanol(1)","13552-21-1(1)","3989","High Reliability","-"]
[2258,"CC(C)(N)CO\n\n\n","OCC(N)(C)C","OCC(N)(C)C","",1,"2-AMINO-2-METHYL-1-PROPANOL(1)","124-68-5(1)","1450","High Reliability","-"]
[2259,"CN(C)CCO\n\n\n","OCCN(C)C","OCCN(C)C","",1,"2-DIMETHYLAMINOETHANOL(1)","108-01-0(1)","1064","High Reliability","-"]
[2260,"CC(N)(CO)CO\nCC(C)(N)C(O)O\n\n","OCC(CO)(N)C","OCC(N)(C)CO","",1,"2-amino-2-methylpropanediol(1)","115-69-5(1)","1285","High Reliability","Name verified in PubChem"]
[2261,"OCCNCCO\n\n\n","OCCNCCO","OCCNCCO","",1,"DIETHANOLAMINE(1)","111-42-2(1)","1217","High Reliability","-"]
[2262,"NC(CO)(CO)CO\n\n\n","OCC(CO)(CO)N","OCC(N)(CO)CO","",1,"AMINOTRIS(HYDROXYMETHYL)METHANE(1)","77-86-1(1)","425","High Reliability","-"]
[2263,"CCS(=O)(=O)NS(=O)(=O)CC\n\n\n","CCS(=O)(=O)NS(=O)(=O)CC","O=S(=O)(NS(=O)(=O)CC)CC","",1,"Ethanesulfonamide, N-(ethylsulfonyl)-(1)","71954-28-4(1)","5171","Medium Reliability","-"]
[2264,"OC(=O)CN(CP(O)(O)=O)CP(O)(O)=O\n\n\n","OC(=O)CN(CP(=O)(O)O)CP(=O)(O)O","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O","",1,"GLYPHOSINE(1)","2439-99-8(1)","3211","High Reliability","-"]
[2265,"CCOP(=O)(OC)OC\n\n\n","CCOP(=O)(OC)OC","O=P(OC)(OC)OCC","",1,"Phosphoric acid, ethyl dimethyl ester(1)","10463-05-5(1)","3924","High Reliability","-"]
[2266,"CN(C)P(F)(=O)N(C)C\n\n\n","CN(P(=O)(N(C)C)F)C","O=P(F)(N(C)C)N(C)C","",1,"DIMEFOX(1)","115-26-4(1)","1278","High Reliability","-"]
[2267,"NCCNCCO\n\n\n","NCCNCCO","OCCNCCN","",1,"2-(2-AMINOETHYLAMINO)ETHANOL(1)","111-41-1(1)","1216","High Reliability","-"]
[2268,"[Cl-].OC[P+](CO)(CO)CO\n\n\n","OC[P+](CO)(CO)CO","OC[P+](CO)(CO)CO","",1,"TETRAKIS(HYDROXYMETHYL)PHOSPHONIUM CHLORIDE(1)","124-64-1(1)","1449","High Reliability","-"]
[2269,"COP(=S)(OC)SSP(=S)(OC)OC\n\n\n","COP(=S)(SSP(=S)(OC)OC)OC","O(C)P(OC)(=S)SSP(OC)(OC)=S","",1,"thioperoxydiphosphoricacid,tetramethylester(1)","5930-71-2(1)","3678","High Reliability","Name verified in PubChem"]
[2270,"NCCNCCN\n\n\n","NCCNCCN","NCCNCCN","",1,"DIETHYLENETRIAMINE(1)","111-40-0(1)","1215","High Reliability","-"]
[2271,"C#CC#C\n\n\n","C#CC#C","C#CC#C","",1,"DIACETYLENE(1)","460-12-8(1)","1801","High Reliability","-"]
[2272,"Oc1c(Br)cncn1\nBrc1c[nH]cnc1=O\nBrc1cnc[nH]c1=O\n","Brc1cncnc1O","Oc1ncncc1Br","",1,"4(1H)-Pyrimidinone, 5-bromo-(1)","19808-30-1(1)","4240","High Reliability","-"]
[2273,"Brc1c[nH]c(=O)[nH]c1=O\n\n\n","Brc1c[nH]c(=O)[nH]c1=O","O=C1NC=C(C(=O)N1)Br","",1,"5-BROMOURACIL(1)","51-20-7(1)","40","High Reliability","-"]
[2274,"Fc1c[nH]c(=O)[nH]c1=O\n\n\n","Fc1c[nH]c(=O)[nH]c1=O","O=C1NC=C(F)C(=O)N1","",1,"5-FLUOROURACIL(1)","51-21-8(1)","41","High Reliability","-"]
[2275,"[O-][N+](=O)C1C(=O)NC(=O)NC1=O\n\n\n","O=C1NC(=O)C(C(=O)N1)[N+](=O)[O-]","O=C1NC(=O)C(C(=O)N1)[N+](=O)[O-]","",1,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro-(1)","480-68-2(1)","1850","High Reliability","-"]
[2276,"[nH]1nc2cncnc2n1\n[nH]1nnc2ncncc12\n\n","n1cnc2c(c1)n[nH]n2","n1cnc2n[nH]nc2(c1)","",1,"1H-1,2,3-Triazolo[4,5-d]pyrimidine(1)","273-40-5(1)","1674","Medium Reliability","-"]
[2277,"OC(=O)c1nocc1\n\n\n","OC(=O)c1ccon1","O=C(O)c1nocc1","",1,"3-Isoxazolecarboxylic acid(1)","3209-71-0(1)","3351","Medium Reliability","-"]
[2278,"C=CC#C\n\n\n","C=CC#C","C#CC=C","",1,"1-BUTEN-3-YNE(1)","689-97-4(1)","2633","High Reliability","-"]
[2279,"OC(=O)C(Br)C(Br)C(O)=O\n[O-]C(=O)C(Br)C(Br)C([O-])=O\n\n","BrC(C(C(=O)O)Br)C(=O)O","O=C(O)C(C(C(=O)O)Br)Br","",1,"Butanedioic acid, 2,3-dibromo-, (R*,S*)-(1)","608-36-6(1)","2392","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2280,"Cc1c([nH]c(Br)n1)N(=O)=O\nCc1nc(Br)[nH]c1[N+]([O-])=O\n\n","[O-][N+](=O)c1[nH]c(nc1C)Br","O=[N+]([O-])c1[nH]c(nc1C)Br","",1,"2-BROMO-4-METHYL-5-NITRO-1H-IMIDAZOLE(1)","105983-46-8(1)","5499","Medium Reliability","-"]
[2281,"BrN1C(=O)CCC1=O\n\n\n","BrN1C(=O)CCC1=O","O=C1N(C(=O)CC1)Br","",1,"2,5-Pyrrolidinedione, 1-bromo-(1)","128-08-5(1)","1483","High Reliability","-"]
[2282,"ClN1C(=O)CCC1=O\n\n\n","ClN1C(=O)CCC1=O","O=C1N(C(=O)CC1)Cl","",1,"1-CHLORO-2,5-PYRROLIDINEDIONE(1)","128-09-6(1)","1484","High Reliability","-"]
[2283,"Nc1nc(=O)[nH]cc1F\nNc1c(F)cnc(=O)[nH]1\n\n","Nc1nc(=O)[nH]cc1F","O=C1N=C(N)C(F)=CN1","",1,"FLUCYTOSINE(1)","2022-85-7(1)","3069","High Reliability","-"]
[2284,"c1ccnnc1\n\n\n","c1ccnnc1","n1ncccc1","",1,"PYRIDAZINE(1)","289-80-5(1)","1681","High Reliability","-"]
[2285,"c1cncnc1\n\n\n","c1ccncn1","n1cnccc1","",1,"PYRIMIDINE(1)","289-95-2(1)","1682","High Reliability","-"]
[2286,"N#CCCC#N\n\n\n","N#CCCC#N","N#CCCC#N","",1,"SUCCINONITRILE(1)","110-61-2(1)","1181","High Reliability","-"]
[2287,"O=c1cc[nH]cn1\nO=c1[nH]cncc1\nO=c1[nH]cncc1\n","O=c1cc[nH]cn1","O=C1N=CNC=C1","",2,"4-PYRIMIDONE(1), 4(3H)-Pyrimidone(1)","4562-27-0(1), 51953-17-4(1)","3509, 4826","High Reliability","Checked on PubChem, Checked on ChemID"]
[2288,"O=c1[nH]cccn1\n\n\n","O=c1nccc[nH]1","O=C1N=CC=CN1","",1,"2-PYRIMIDONE(1)","557-01-7(1)","2162","Medium Reliability","-"]
[2289,"O=c1[nH][nH]c(=O)cc1\nNNC(=O)C=CC(O)=O\n\n","O=c1ccc(=O)[nH][nH]1","O=C1C=CC(=O)NN1","",1,"maleichydrazide(1)","123-33-1(1)","1413","High Reliability","Stereochemistry removed, Name verified in PubChem"]
[2290,"O=c1[nH]ccc(=O)[nH]1\n\n\n","O=c1cc[nH]c(=O)[nH]1","O=C1C=CNC(=O)N1","",1,"URACIL(1)","66-22-8(1)","242","High Reliability","-"]
[2291,"Oc1cc(O)ncn1\nOc1cc(=O)[nH]cn1\n\n","Oc1ncnc(c1)O","Oc1ncnc(O)c1","",1,"4,6-Dihydroxypryimidine(1)","1193-24-4(1)","2866","Medium Reliability","-"]
[2292,"Cc1c(nns1)C(O)=O\n\n\n","Cc1snnc1C(=O)O","O=C(O)c1nnsc1C","",1,"1,2,3-Thiadiazole-4-carboxylic acid, 5-methyl-(1)","22097-10-5(1)","4309","Medium Reliability","-"]
[2293,"O=c1[nH]c(=S)[nH]cc1\n\n\n","O=c1cc[nH]c(=S)[nH]1","O=C1C=CNC(N1)=S","",1,"2-THIOURACIL(1)","141-90-2(1)","1574","High Reliability","-"]
[2294,"o1cccc1\n\n\n","c1ccco1","o1cccc1","",1,"FURAN(1)","110-00-9(1)","1158","High Reliability","-"]
[2295,"OC(=O)C=CC(O)=O\n\n\n","OC(=O)C=CC(=O)O","O=C(O)C=CC(=O)O","",2,"MALEIC ACID(1), FUMARIC ACID(1)","110-16-7(1), 110-17-8(1)","1164, 1165","High Reliability","Stereochemistry removed"]
[2296,"OC(=O)C(O)=C(O)C(O)=O\nOC(O)=C(O)C(=O)C(O)=O\n\n","OC(=C(C(=O)O)O)C(=O)O","O=C(O)C(O)=C(O)C(=O)O","",1,"2-Butenedioic acid, 2,3-dihydroxy-, (E)-(1)","133-38-0(1)","1514","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2297,"s1cccc1\n\n\n","c1cccs1","c1ccsc1","",1,"THIOPHENE(1)","110-02-1(1)","1159","High Reliability","-"]
[2298,"OC(=O)C=CCBr\n\n\n","BrCC=CC(=O)O","O=C(O)C=CCBr","",1,"4-bromo-trans-crotonic acid(1)","13991-36-1(1)","4003","High Reliability","Stereochemistry removed"]
[2299,"OC(=O)CC(Br)C(O)=O\n\n\n","OC(=O)CC(C(=O)O)Br","O=C(O)CC(C(=O)O)Br","",1,"Bromosuccinic acid(1)","923-06-8(1)","2742","High Reliability","Checked on PubChem, Checked on ChemID"]
[2300,"OC(CCl)=NC(=O)CCl\nClCC(=O)NC(=O)CCl\n\n","ClCC(=NC(=O)CCl)O","O=C(N=C(O)CCl)CCl","",1,"Acetamide, 2-chloro-N-(chloroacetyl)-(1)","4960-82-1(1)","3554","High Reliability","-"]
[2301,"OC(=O)C(Cl)(Cl)CCCl\n\n\n","ClCCC(C(=O)O)(Cl)Cl","O=C(O)C(CCCl)(Cl)Cl","",1,"Butanoic acid, 2,2,4-trichloro-(1)","101256-97-7(1)","5460","Medium Reliability","-"]
[2302,"CC=C(Cl)C(O)=O\n\n\n","CC=C(C(=O)O)Cl","O=C(O)C(=CC)Cl","",3,"2-Butenoic acid, 2-chloro-, (E)-(1), 2-Chloro-2-butenoic acdi(1), 2-Butenoic acid, 2-chloro-, (Z)-(1)","22038-56-8(1), 600-13-5(1), 53993-41-2(1)","4306, 2361, 4884","Medium Reliability","Checked on PubChem, Stereochemistry removed, Manual Check passed"]
[2303,"CC(Cl)=CC(O)=O\n\n\n","CC(=CC(=O)O)Cl","O=C(O)C=C(C)Cl","",2,"2-Butenoic acid, 3-chloro-, (Z)-(1), 3-Chlorocrotonic acid(1)","6213-90-7(1), 6214-28-4(1)","3714, 3715","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2304,"OC(=O)CC(Cl)C(O)=O\n\n\n","OC(=O)CC(C(=O)O)Cl","O=C(O)CC(C(=O)O)Cl","",3,"CHLOROSUCCINIC ACID(1), Butanedioic acid, chloro-, (R)-(1), Butanedioic acid, chloro-, (S)-(1)","16045-92-4(1), 3972-40-5(1), 4198-33-8(1)","4092, 3451, 3470","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2305,"FC(F)(F)COC=C\n\n\n","C=COCC(F)(F)F","FC(F)(F)COC=C","",1,"FLUROXENE(1)","406-90-6(1)","1774","High Reliability","-"]
[2306,"CC=CC#N\n\n\n","CC=CC#N","N#CC=CC","",1,"CROTONONITRILE(1)","4786-20-3(1)","3537","High Reliability","Stereochemistry removed"]
[2307,"[nH]1cccc1\n\n\n","c1ccc[nH]1","c1cc[nH]c1","",1,"PYRROLE(1)","109-97-7(1)","1156","High Reliability","-"]
[2308,"CC(=C)C#N\n\n\n","CC(=C)C#N","N#CC(=C)C","",1,"METHACRYLONITRILE(1)","126-98-7(1)","1467","High Reliability","-"]
[2309,"Nc1nc(=O)[nH]cc1\nNc1ccnc(=O)[nH]1\n\n","Nc1cc[nH]c(=O)n1","O=C1N=C(N)C=CN1","",1,"CYTOSINE(1)","71-30-7(1)","283","High Reliability","-"]
[2310,"NNC(=O)c1nccs1\n\n\n","NNC(=O)c1nccs1","O=C(NN)c1nccs1","",1,"2-Thiazolecarboxylic acid, hydrazide(1)","16733-90-7(1)","4113","Medium Reliability","-"]
[2311,"Cc1cc(=O)[nH]o1\nCc1onc(O)c1\n\n","Cc1cc(=O)[nH]o1","O=C1C=C(ON1)C","",1,"3-HYDROXY-5-METHYLISOXAZOLE(1)","10004-44-1(1)","3892","High Reliability","-"]
[2312,"O=C1CCC(=O)N1\n\n\n","O=C1CCC(=O)N1","O=C1NC(=O)CC1","",1,"SUCCINIMIDE(1)","123-56-8(1)","1420","High Reliability","-"]
[2313,"O=C1COCC(=O)N1\n\n\n","O=C1COCC(=O)N1","O=C1NC(=O)COC1","",1,"3,5-Morpholinedione(1)","4430-05-1(1)","3495","Medium Reliability","-"]
[2314,"Cc1csc(=O)[nH]1\n\n\n","Cc1csc(=O)[nH]1","O=C1NC(=CS1)C","",1,"2(3H)-Thiazolone, 4-methyl-(1)","32497-10-2(1)","4536","High Reliability","-"]
[2315,"CC(=O)CSC#N\n\n\n","CC(=O)CSC#N","N#CSCC(=O)C","",1,"Thiocyanic acid, 2-oxopropyl ester(1)","3029-48-9(1)","3315","Medium Reliability","-"]
[2316,"C=CCN=C=S\n\n\n","C=CCN=C=S","C(=NCC=C)=S","",1,"3-ISOTHIOCYANATO-1-PROPENE(1)","57-06-7(1)","116","High Reliability","-"]
[2317,"C=CC=C\nCCC#C\n\n","C=CC=C","C=CC=C","",2,"1,3-BUTADIENE(1), 1-BUTYNE(1)","106-99-0(1), 107-00-6(1)","1021, 1022","High Reliability","-"]
[2318,"CCC(Br)(Br)C(O)=O\n\n\n","CCC(C(=O)O)(Br)Br","O=C(O)C(CC)(Br)Br","",1,"Butanoic acid, 2,2-dibromo-(1)","93146-89-5(1)","5383","Medium Reliability","-"]
[2319,"ClCC(Cl)C=C\n\n\n","ClC(C=C)CCl","C=CC(CCl)Cl","",1,"3,4-DICHLORO-1-BUTENE(1)","760-23-6(1)","2672","High Reliability","-"]
[2320,"ClCC=CCCl\n\n\n","ClCC=CCCl","C(=CCCl)CCl","",3,"1,4-DICHLORO-2-BUTENE(TRANS)(1), 1,4-DICHLORO-2-BUTENE(1), 1,4-DICHLORO-2-BUTENE(CIS)(1)","110-57-6(1), 764-41-0(1), 1476-11-5(1)","1179, 2680, 2913","Medium Reliability, High Reliability","Stereochemistry removed"]
[2321,"CC(=O)NC(=O)CCl\n\n\n","CC(=O)NC(=O)CCl","O=C(NC(=O)CCl)C","",1,"Acetamide, N-acetyl-2-chloro-(1)","17368-73-9(1)","4154","High Reliability","-"]
[2322,"Cn1ccnc1\n\n\n","Cn1cncc1","n1ccn(c1)C","",1,"1H-IMIDAZOLE, 1-METHYL-(1)","616-47-7(1)","2447","High Reliability","-"]
[2323,"Cc1no[n+]([O-])c1C\n\n\n","[O-][n+]1onc(c1C)C","[O-][n+]1onc(c1C)C","",1,"FURAZAN, DIMETHYL-, 2-OXIDE(1)","2518-42-5(1)","3228","Medium Reliability","-"]
[2324,"O=C1CNC(=O)CN1\n\n\n","O=C1NCC(=O)NC1","O=C1NCC(=O)NC1","",1,"2,5-Piperazinedione(1)","106-57-0(1)","1006","High Reliability","-"]
[2325,"O=NN1CCCC1=O\n\n\n","O=NN1CCCC1=O","O=NN1C(=O)CCC1","",1,"2-Pyrrolidinone, 1-nitroso-(1)","54634-49-0(1)","4894","High Reliability","-"]
[2326,"Cc1c(nc[nH]1)S(O)(=O)=O\n\n\n","Cc1[nH]cnc1S(=O)(=O)O","O=S(=O)(O)c1nc[nH]c1C","",1,"1H-Imidazole-4-sulfonic acid, 5-methyl-(1)","6307-14-8(1)","3738","High Reliability","-"]
[2327,"Nc1c(O)c(O)nc(=N)[nH]1\nNC1N=C(N)NC(=O)C1=O\n\n","Oc1c(O)nc(=N)[nH]c1N","N=C1N=C(O)C(O)=C(N)N1","",1,"DIVICINE(1)","32267-39-3(1)","4530","High Reliability","-"]
[2328,"NC(=O)NC1NC(=O)NC1=O\n\n\n","NC(=O)NC1NC(=O)NC1=O","O=C(N)NC1NC(=O)NC1(=O)","",1,"ALLANTOIN(1)","97-59-6(1)","797","High Reliability","-"]
[2329,"CC(=O)Nc1nnc(s1)S(N)(=O)=O\n\n\n","CC(=O)Nc1nnc(s1)S(=O)(=O)N","O=C(Nc1nnc(s1)S(=O)(=O)N)C","",1,"ACETAZOLEAMIDE(1)","59-66-5(1)","174","Medium Reliability","-"]
[2330,"CC=CC=O\n\n\n","CC=CC=O","O=CC=CC","",2,"TRANS-CROTONALDEHYDE(1), CROTONALDEHYDE(1)","123-73-9(1), 4170-30-3(1)","1424, 3466","High Reliability","Stereochemistry removed"]
[2331,"C=COC=C\n\n\n","C=COC=C","O(C=C)C=C","",1,"DIVINYL ETHER(1)","109-93-3(1)","1154","High Reliability","-"]
[2332,"CC(=C)C=O\n\n\n","CC(=C)C=O","O=CC(=C)C","",1,"METHACROLEIN(1)","78-85-3(1)","451","High Reliability","-"]
[2333,"CC=CC(O)=O\nCC=CC(O)=O\nCC=CC(O)=O.CC=CC(O)=O\n","CC=CC(=O)O","O=C(O)C=CC","",3,"CROTONIC ACID(2), (Z)-2-BUTENOIC ACID (ISOCROTONIC ACID)(1)","107-93-7(1), 503-64-0(1), 3724-65-0(1)","1060, 1925, 3420","High Reliability","Differences in counterions, Stereochemistry removed"]
[2334,"CC(=C)C(O)=O\n\n\n","CC(=C)C(=O)O","O=C(O)C(=C)C","",1,"METHACRYLIC ACID(1)","79-41-4(1)","477","High Reliability","-"]
[2335,"CC(=O)C(C)=O\n\n\n","CC(=O)C(=O)C","O=C(C(=O)C)C","",1,"2,3-BUTANEDIONE(1)","431-03-8(1)","1777","High Reliability","-"]
[2336,"C1OC1C2CO2\nC1OC1C2CO2\nCCC12OC1O2\n","O1CC1C1OC1","O1CC1C2OC2","",5,"1,2:3,4-DIEPOXYBUTANE DL(1), 1,2:3,4-DIEPOXYBUTANE(1), diepoxybutane(1), 1,2:3,4-DIEPOXYBUTANE (2S,3S)(1), 1,2:3,4-DIEPOXYBUTANE (2R,3R)(1)","298-18-0(1), 564-00-1(1), 1464-53-5(1), 30031-64-2(1), 30419-67-1(1)","1692, 2183, 2911, 4497, 4505","High Reliability","Stereochemistry removed, Name verified in PubChem, Manual Check passed"]
[2337,"CC1CC(=O)O1\n\n\n","CC1CC(=O)O1","O=C1OC(C)C1","",1,"4-METHYL-2-OXETANONE(1)","3068-88-0(1)","3323","High Reliability","-"]
[2338,"COC(=O)C=C\n\n\n","COC(=O)C=C","O=C(OC)C=C","",1,"METHYL ACRYLATE(1)","96-33-3(1)","774","Medium Reliability","-"]
[2339,"CC(=O)OC=C\n\n\n","CC(=O)OC=C","O=C(OC=C)C","",1,"VINYL ACETATE(1)","108-05-4(1)","1066","High Reliability","-"]
[2340,"OCC#CCO\n\n\n","OCC#CCO","OCC#CCO","",1,"2-BUTYNE-1,4-DIOL(1)","110-65-6(1)","1184","High Reliability","-"]
[2341,"O=C1CCCO1\n\n\n","O=C1CCCO1","O=C1OCCC1","",1,"GAMMA-BUTYROLACTONE(1)","96-48-0(1)","779","High Reliability","-"]
[2342,"CC(=O)CC(O)=O\n\n\n","CC(=O)CC(=O)O","O=C(O)CC(=O)C","",1,"ACETOACETIC ACID(1)","541-50-4(1)","2083","High Reliability","-"]
[2343,"CC(=O)OC(C)=O\n\n\n","CC(=O)OC(=O)C","O=C(OC(=O)C)C","",1,"ACETIC ANHYDRIDE(1)","108-24-7(1)","1075","High Reliability","-"]
[2344,"CC1COC(=O)O1\n\n\n","CC1COC(=O)O1","O=C1OCC(O1)C","",1,"PROPYLENE CARBONATE(1)","108-32-7(1)","1077","High Reliability","-"]
[2345,"CC(C(O)=O)C(O)=O\n\n\n","CC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)C","",1,"METHYL MALONIC ACID(1)","516-05-2(1)","1972","Medium Reliability","-"]
[2346,"COC(=O)C(=O)OC\nCOC(=O)C([O-])=O\n\n","COC(=O)C(=O)OC","O=C(OC)C(=O)OC","",1,"methyloxalate(1)","553-90-2(1)","2138","High Reliability","Name verified in PubChem"]
[2347,"OC(=O)CCC(O)=O\n[Na+].[Na+].[O-]C(=O)CCC([O-])=O\n\n","OC(=O)CCC(=O)O","O=C(O)CCC(=O)O","",2,"BUTANEDIOC ACID(1), Sodium Succinate(1)","110-15-6(1), 150-90-3(1)","1163, 1629","Medium Reliability, High Reliability","-"]
[2348,"OC(=O)CC(S)C(O)=O\n\n\n","OC(=O)CC(C(=O)O)S","O=C(O)CC(C(=O)O)S","",1,"Butanedioic acid, mercapto-(1)","70-49-5(1)","276","High Reliability","-"]
[2349,"OC(=O)CSCC(O)=O\n\n\n","OC(=O)CSCC(=O)O","O=C(O)CSCC(=O)O","",1,"Acetic acid, 2,2'-thiobis-(1)","123-93-3(1)","1432","High Reliability","-"]
[2350,"OC(=O)CSSSSCC(O)=O\n\n\n","OC(=O)CSSSSCC(=O)O","O=C(O)CSSSSCC(=O)O","",1,"Acetic acid, 2,2'-tetrathiobis-(1)","16002-32-7(1)","4087","Medium Reliability","-"]
[2351,"OC(CC(O)=O)C(O)=O\n\n\n","OC(=O)CC(C(=O)O)O","O=C(O)CC(O)C(=O)O","",3,"Butanedioic acid, hydroxy-, (.+-.)-(1), L-malic acid(1), MALIC ACID(1)","617-48-1(1), 636-61-3(1), 6915-15-7(1)","2455, 2595, 3796","Medium Reliability, High Reliability","Stereochemistry removed"]
[2352,"OC(=O)COCC(O)=O\n\n\n","OC(=O)COCC(=O)O","O=C(O)COCC(=O)O","",1,"Acetic acid, 2,2'-oxybis-(1)","110-99-6(1)","1202","High Reliability","-"]
[2353,"OC(C(O)C(O)=O)C(O)=O\n[Na+].[K+].OC(C(O)C([O-])=O)C([O-])=O\n\n","OC(C(C(=O)O)O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","",6,"TARTARIC ACID(1), DL-TARTARIC ACID(1), D-TARTARIC ACID(1), meso-TARTARIC ACID(1), Potassium Sodium Tartrate(1), Butanedioic acid, 2,3-dihydroxy-(1)","87-69-4(1), 133-37-9(1), 147-71-7(1), 147-73-9(1), 304-59-6(1), 526-83-0(1)","597, 1513, 1609, 1610, 1713, 1993","High Reliability","Stereochemistry removed"]
[2354,"BrCCC=C\n\n\n","BrCCC=C","C=CCCBr","",1,"4-BROMO-1-BUTENE(1)","5162-44-7(1)","3573","High Reliability","-"]
[2355,"COP(=O)(OC)OC(Br)C(Cl)(Cl)Br\n\n\n","COP(=O)(OC(C(Br)(Cl)Cl)Br)OC","O=P(OC)(OC)OC(C(Cl)(Cl)Br)Br","",1,"NALED(1)","300-76-5(1)","1704","High Reliability","-"]
[2356,"CCC(Br)C(O)=O\n\n\n","CCC(C(=O)O)Br","O=C(O)C(CC)Br","",1,"a-bromobutyricacid(1)","80-58-0(1)","496","Medium Reliability","Name verified in PubChem"]
[2357,"CC(=O)OCCBr\nCC(O)=O.OCCBr\n\n","CC(=O)OCCBr","O=C(OCCBr)C","",1,"ethanol,2-bromo-,acetate(1)","927-68-4(1)","2750","High Reliability","Name verified in PubChem"]
[2358,"CC=CCCl\n\n\n","CC=CCCl","C(=CCCl)C","",1,"1-CHLORO-2-BUTENE(1)","591-97-9(1)","2311","High Reliability","Stereochemistry removed"]
[2359,"CC(C)=CCl\nCC(=C)CCl\n\n","ClC=C(C)C","C(=C(C)C)Cl","",2,"1-CHLORO-2-METHYLPROPENE(1), 3-CHLORO-2-METHYLPROPENE(1)","513-37-1(1), 563-47-3(1)","1958, 2179","High Reliability","-"]
[2360,"COP(=O)(OC)OC=C(Cl)Cl\n\n\n","COP(=O)(OC=C(Cl)Cl)OC","O=P(OC=C(Cl)Cl)(OC)OC","",1,"DICHLORVOS(1)","62-73-7(1)","213","Medium Reliability","-"]
[2361,"CC(C)(O)C(Cl)(Cl)Cl\n\n\n","CC(C(Cl)(Cl)Cl)(O)C","OC(C)(C)C(Cl)(Cl)Cl","",1,"B,B,B-TRICHLORO-T-BUTANOL(1)","57-15-8(1)","121","Medium Reliability","-"]
[2362,"CC(Cl)C(Cl)(Cl)C(O)O\n\n\n","OC(C(C(Cl)C)(Cl)Cl)O","OC(O)C(C(C)Cl)(Cl)Cl","",1,"2,2,3-TRICHLORO-1,1-BUTANEDIOL(1)","76-40-4(1)","398","High Reliability","-"]
[2363,"ClCCOC=C\n\n\n","ClCCOC=C","O(C=C)CCCl","",1,"2-CHLOROETHYL VINYL ETHER(1)","110-75-8(1)","1189","High Reliability","-"]
[2364,"CC1(CCl)CO1\n\n\n","CC1(CCl)CO1","O1CC1(C)CCl","",1,"OXIRANE, 2-(CHLOROMETHYL)-2-METHYL-(1)","598-09-4(1)","2345","High Reliability","Checked on PubChem, Checked on ChemID"]
[2365,"CCOC(=O)CCl\n\n\n","CCOC(=O)CCl","O=C(OCC)CCl","",1,"ETHYL CHLOROACETATE(1)","105-39-5(1)","969","High Reliability","-"]
[2366,"CCCC#N\n\n\n","CCCC#N","N#CCCC","",1,"BUTYRONITRILE(1)","109-74-0(1)","1144","High Reliability","-"]
[2367,"CN1CC(=O)NC1=N\nCN1CC(=O)N=C1N\n\n","O=C1NC(=N)N(C1)C","O=C1NC(=N)N(C)C1","",1,"CREATININE(1)","60-27-5(1)","185","High Reliability","-"]
[2368,"CCOc1nc(=N)s[nH]1\nCCOc1nsc(N)n1\n\n","CCOc1nc(=N)s[nH]1","N=C1N=C(OCC)NS1","",1,"1,2,4-Thiadiazole, 5-amino-3-ethoxy-(1)","98022-62-9(1)","5413","Medium Reliability","-"]
[2369,"CC(C)(O)C#N\n\n\n","N#CC(O)(C)C","N#CC(O)(C)C","",1,"ACETONE CYANOHYDRIN(1)","75-86-5(1)","371","High Reliability","-"]
[2370,"O=C1CCCN1\n\n\n","O=C1CCCN1","O=C1NCCC1","",1,"PYRROLIDONE(1)","616-45-5(1)","2446","High Reliability","-"]
[2371,"OCNC(=O)C=C\n\n\n","OCNC(=O)C=C","O=C(C=C)NCO","",1,"N-(Hydroxymethyl)acrylamide(1)","924-42-5(1)","2745","High Reliability","-"]
[2372,"CC(=O)NCC(O)=O\n\n\n","CC(=O)NCC(=O)O","O=C(O)CNC(=O)C","",1,"Glycine, N-acetyl-(1)","543-24-8(1)","2097","High Reliability","-"]
[2373,"NC(CC(O)=O)C(O)=O\n\n\n","OC(=O)CC(C(=O)O)N","O=C(O)CC(N)C(=O)O","",2,"ASPARTIC ACID(1), DL-Aspartic acid(1)","56-84-8(1), 617-45-8(1)","109, 2454","High Reliability","Stereochemistry removed"]
[2374,"NC(=O)CC(O)C(O)=O\n\n\n","NC(=O)CC(C(=O)O)O","O=C(O)C(O)CC(=O)N","",3,"Butanoic acid, 4-amino-2-hydroxy-4-oxo-, (S)-(1), Butanoic acid, 4-amino-2-hydroxy-4-oxo-(1), Butanoic acid, 4-amino-2-hydroxy-4-oxo-, (R)-(1)","57229-74-0(1), 66398-52-5(1), 82310-91-6(1)","4943, 5065, 5278","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed, Manual Check passed"]
[2375,"OC(=O)CNCC(O)=O\n\n\n","OC(=O)CNCC(=O)O","O=C(O)CNCC(=O)O","",1,"Glycine, N-(carboxymethyl)-(1)","142-73-4(1)","1587","High Reliability","-"]
[2376,"CCOC(=O)CO[N+]([O-])=O\n\n\n","CCOC(=O)CO[N+](=O)[O-]","O=C(OCC)CO[N+](=O)[O-]","",1,"Acetic acid, (nitrooxy)-, ethyl ester(1)","999-17-7(1)","2787","Medium Reliability","-"]
[2377,"NC(C(O)C(O)=O)C(O)=O\n\n\n","OC(=O)C(C(C(=O)O)N)O","O=C(O)C(O)C(N)C(=O)O","",1,"3-hydroxy-aspartic acid(1)","1186-90-9(1)","2861","High Reliability","Stereochemistry removed"]
[2378,"NC(=O)C(O)C(O)C(O)=O\n\n\n","NC(=O)C(C(C(=O)O)O)O","O=C(O)C(O)C(O)C(=O)N","",1,"Butanoic acid, 4-amino-2,3-dihydroxy-4-oxo-(1)","634-64-0(1)","2585","Medium Reliability","-"]
[2379,"CCC=C\nCC=CC\n\n","CC=CC","C(=CC)C","",3,"1-BUTENE(1), CIS-2-BUTENE(1), TRANS-2-BUTENE(1)","106-98-9(1), 590-18-1(1), 624-64-6(1)","1020, 2284, 2508","High Reliability","Stereochemistry removed"]
[2380,"CC(C)=C\n\n\n","CC(=C)C","C=C(C)C","",1,"ISOBUTENE(1)","115-11-7(1)","1272","High Reliability","-"]
[2381,"BrCCCCBr\n\n\n","BrCCCCBr","C(CCBr)CBr","",1,"1,4-DIBROMOBUTANE(1)","110-52-1(1)","1175","High Reliability","-"]
[2382,"CCCC(Cl)Cl\n\n\n","CCCC(Cl)Cl","CCCC(Cl)Cl","",1,"1,1-DICHLOROBUTANE(1)","541-33-3(1)","2079","High Reliability","-"]
[2383,"CC(Cl)C(C)Cl\n\n\n","CC(C(Cl)C)Cl","CC(C(C)Cl)Cl","",2,"2,3-DICHLOROBUTANE(1), BUTANE, 2,3-DICHLORO-, (R*,R*)-(.+-.)-(1)","7581-97-7(1), 2211-67-8(1)","3861, 3127","High Reliability","Manual Check passed"]
[2384,"ClCCCCCl\n\n\n","ClCCCCCl","C(CCCl)CCl","",1,"1,4-DICHLOROBUTANE(1)","110-56-5(1)","1178","High Reliability","-"]
[2385,"CC(O)(CCl)CCl\n\n\n","ClCC(CCl)(O)C","OC(C)(CCl)CCl","",1,"2-Propanol, 1,3-dichloro-2-methyl-(1)","597-32-0(1)","2336","Medium Reliability","-"]
[2386,"ClCCOCCCl\n\n\n","ClCCOCCCl","O(CCCl)CCCl","",1,"BIS(2-CHLOROETHYL) ETHER(1)","111-44-4(1)","1219","High Reliability","-"]
[2387,"ClCCS(=O)(=O)CCCl\n\n\n","ClCCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCCl","",1,"1,1'-SULFONYLBIS(2-CHLOROETHANE)(1)","471-03-4(1)","1826","Medium Reliability","-"]
[2388,"ClCCS(=O)CCCl\n\n\n","ClCCS(=O)CCCl","O=S(CCCl)CCCl","",1,"1,1'-SULFINYLBIS(2-CHLOROETHANE)(1)","5819-08-9(1)","3666","High Reliability","-"]
[2389,"ClCCSCCCl\n\n\n","ClCCSCCCl","C(CSCCCl)Cl","",1,"DI-2-CHLOROETHYL SULFIDE(1)","505-60-2(1)","1933","High Reliability","-"]
[2390,"ClCCN(Cl)CCCl\n\n\n","ClCCN(CCCl)Cl","N(CCCl)(CCCl)Cl","",1,"Ethanamine, N,2-dichloro-N-(2-chloroethyl)-(1)","63915-60-6(1)","5030","High Reliability","-"]
[2391,"COP(=O)(OC)C(O)C(Cl)(Cl)Cl\n\n\n","COP(=O)(C(C(Cl)(Cl)Cl)O)OC","O=P(OC)(OC)C(O)C(Cl)(Cl)Cl","",1,"TRICHLORFON(1)","52-68-6(1)","65","Medium Reliability","-"]
[2392,"O=NN1CCCC1\n\n\n","O=NN1CCCC1","O=NN1CCCC1","",1,"N-NITROSOPYRROLIDINE(1)","930-55-2(1)","2753","High Reliability","-"]
[2393,"CC(=NO)C(C)=NO\nCON=C(C)C=NO\nCC(NO)=C(C)N=O\n","ON=C(C(=NO)C)C","ON=C(C(=NO)C)C","",1,"dimethylglyoxime(1)","95-45-4(1)","742","Medium Reliability","Stereochemistry removed, Name verified in PubChem"]
[2394,"CNC(=O)C(=O)NC\n\n\n","CNC(=O)C(=O)NC","O=C(NC)C(=O)NC","",1,"N,N'-dimethyloxalamide(1)","615-35-0(1)","2433","High Reliability","-"]
[2395,"NC(=O)CCC(N)=O\n\n\n","NC(=O)CCC(=O)N","O=C(N)CCC(=O)N","",1,"SUCCINAMIDE(1)","110-14-5(1)","1162","High Reliability","-"]
[2396,"O=NN1CCOCC1\n\n\n","O=NN1CCOCC1","O=NN1CCOCC1","",1,"N-NITROSOMORPHOLINE(1)","59-89-2(1)","176","High Reliability","-"]
[2397,"CC(NC(N)=O)C(O)=O\nCC(NC(N)=O)C([O-])=O\nCC(NC(N)=O)C(O)=O\n","NC(=O)NC(C(=O)O)C","O=C(N)NC(C(=O)O)C","",2,"L-Alanine, N-(aminocarbonyl)-(1), Alanine, N-(aminocarbonyl)-(1)","18409-49-9(1), 585-04-6(1)","4194, 2247","Medium Reliability","Checked on PubChem, Stereochemistry removed, Manual Check passed"]
[2398,"CCOC(=O)N(C)N=O\n\n\n","CN(C(=O)OCC)N=O","O=NN(C(=O)OCC)C","",1,"ETHYL N-METHYLNITROSOCARBAMATE(1)","615-53-2(1)","2436","High Reliability","-"]
[2399,"NC(CC(N)=O)C(O)=O\n\n\n","NC(=O)CC(C(=O)O)N","O=C(O)C(N)CC(=O)N","",2,"ASPARAGINE(1), Asparagine(1)","70-47-3(1), 7006-34-0(1)","275, 3809","High Reliability","Stereochemistry removed"]
[2400,"NC(=O)NCCC(O)=O\n\n\n","OC(=O)CCNC(=O)N","O=C(N)NCCC(=O)O","",1,".beta.-Alanine, N-(aminocarbonyl)-(1)","462-88-4(1)","1810","Medium Reliability","-"]
[2401,"[O-][N+](=O)N1CCOCC1\n\n\n","[O-][N+](=O)N1CCOCC1","O=[N+]([O-])N1CCOCC1","",1,"N-NITROMORPHOLINE(1)","4164-32-3(1)","3465","High Reliability","-"]
[2402,"NC(C(O)C(O)=O)C(O)=N\n\n\n","OC(=N)C(C(C(=O)O)O)N","O=C(O)C(O)C(N)C(=N)O","",1,"Succinamic acid, 3-amino-2-hydroxy-(1)","32503-98-3(1)","4537","Medium Reliability","-"]
[2403,"NC(=S)NCC=C\n\n\n","NC(=S)NCC=C","C=CCNC(N)=S","",1,"ALLYLTHIOUREA(1)","109-57-9(1)","1133","High Reliability","-"]
[2404,"[Na+].[Na+].[S-]C(=S)NCCNC([S-])=S\n\n\n","SC(=S)NCCNC(=S)S","N(C(=S)S)CCNC(=S)S","",1,"NABAM(1)","142-59-6(1)","1583","High Reliability","-"]
[2405,"CCCC=O\nCC=CCO\n\n","CC=CCO","OCC=CC","",3,"BUTYRALDEHYDE(1), 2-BUTEN-1-OL (CIS)(1), 2-Buten-1-ol(1)","123-72-8(1), 4088-60-2(1), 6117-91-5(1)","1423, 3459, 3702","High Reliability","Stereochemistry removed"]
[2406,"CCC1CO1\n\n\n","CCC1CO1","O1CC1CC","",1,"1,2-BUTYLENEOXIDE(1)","106-88-7(1)","1013","High Reliability","-"]
[2407,"C1CCOC1\n\n\n","C1CCCO1","O1CCCC1","",1,"TETRAHYDROFURAN(1)","109-99-9(1)","1157","High Reliability","-"]
[2408,"CCC(C)=O\n\n\n","CCC(=O)C","O=C(C)CC","",1,"2-BUTANONE(1)","78-93-3(1)","456","High Reliability","-"]
[2409,"CCOC=C\n\n\n","CCOC=C","O(C=C)CC","",1,"ETHYL VINYL ETHER(1)","109-92-2(1)","1153","High Reliability","-"]
[2410,"CC(C)C=O\nCC(=C)CO\n\n","O=CC(C)C","O=CC(C)C","",2,"ISOBUTYRALDEHYDE(1), Methallyl alcohol(1)","78-84-2(1), 513-42-8(1)","450, 1959","High Reliability","-"]
[2411,"CC1(C)CO1\n\n\n","CC1(C)OC1","O1CC1(C)C","",1,"2,2-DIMETHYLOXIRANE(1)","558-30-5(1)","2171","High Reliability","-"]
[2412,"COC(C)=C\n\n\n","COC(=C)C","O(C(=C)C)C","",1,"ISOPROPENYL METHYL ETHER(1)","116-11-0(1)","1297","High Reliability","-"]
[2413,"COC1CC1\n\n\n","COC1CC1","O(C)C1CC1","",1,"Cyclopropane, methoxy-(1)","540-47-6(1)","2066","High Reliability","-"]
[2414,"CCCC(O)=O\n\n\n","CCCC(=O)O","O=C(O)CCC","",1,"BUTYRIC ACID(1)","107-92-6(1)","1059","High Reliability","-"]
[2415,"CCCOC=O\n\n\n","CCCOC=O","O=COCCC","",1,"PROPYL FORMATE(1)","110-74-7(1)","1188","High Reliability","-"]
[2416,"C1COCCO1\n\n\n","O1CCOCC1","O1CCOCC1","",1,"1,4-DIOXANE(1)","123-91-1(1)","1430","High Reliability","-"]
[2417,"CC(C)C(O)=O\n\n\n","CC(C(=O)O)C","O=C(O)C(C)C","",1,"ISOBUTYRIC ACID(1)","79-31-2(1)","475","High Reliability","-"]
[2418,"CC(O)C(C)=O\n\n\n","CC(=O)C(O)C","O=C(C)C(O)C","",1,"ACETOIN(1)","513-86-0(1)","1964","High Reliability","-"]
[2419,"CCC(=O)OC\n\n\n","CCC(=O)OC","O=C(OC)CC","",1,"METHYL PROPIONATE(1)","554-12-1(1)","2141","High Reliability","-"]
[2420,"CCOC(C)=O\n\n\n","CCOC(=O)C","O=C(OCC)C","",1,"ETHYL ACETATE(1)","141-78-6(1)","1570","High Reliability","-"]
[2421,"CC(C)OC=O\n\n\n","O=COC(C)C","O=COC(C)C","",1,"ISOPROPYL FORMATE(1)","625-55-8(1)","2521","High Reliability","-"]
[2422,"CC(O)CC=O\n\n\n","CC(CC=O)O","O=CCC(O)C","",1,"Aldol(1)","107-89-1(1)","1057","Medium Reliability","-"]
[2423,"CC1OCCO1\n\n\n","CC1OCCO1","O1CCOC1C","",1,"1,3-Dioxolane, 2-methyl-(1)","497-26-7(1)","1895","High Reliability","-"]
[2424,"OC1CCOC1\n\n\n","OC1COCC1","OC1COCC1","",1,"3-Furanol, tetrahydro-(1)","453-20-3(1)","1795","High Reliability","-"]
[2425,"CC(=O)OCCS\n\n\n","CC(=O)OCCS","O=C(OCCS)C","",1,"Ethanol, 2-mercapto-, 1-acetate(1)","5862-40-8(1)","3674","High Reliability","-"]
[2426,"COC(=O)C(C)O\n\n\n","COC(=O)C(O)C","O=C(OC)C(O)C","",1,"2-HYDROXYPROPANOIC ACID, METHYL ESTER(1)","547-64-8(1)","2114","High Reliability","-"]
[2427,"C1CSCCS1\n\n\n","S1CCSCC1","C1CSCCS1","",1,"1,4-DITHIANE(1)","505-29-3(1)","1929","High Reliability","-"]
[2428,"CCCCBr\n\n\n","CCCCBr","CCCCBr","",1,"1-BROMOBUTANE(1)","109-65-9(1)","1137","High Reliability","-"]
[2429,"CC(C)CBr\n\n\n","BrCC(C)C","CC(C)CBr","",1,"ISOBUTYL BROMIDE(1)","78-77-3(1)","445","High Reliability","-"]
[2430,"CC(C)(C)Br\n\n\n","CC(Br)(C)C","CC(C)(C)Br","",1,"2-BROMO-2-METHYLPROPANE(1)","507-19-7(1)","1939","High Reliability","-"]
[2431,"CCCCCl\n\n\n","CCCCCl","CCCCCl","",1,"1-CHLOROBUTANE(1)","109-69-3(1)","1141","High Reliability","-"]
[2432,"CCC(C)Cl\n\n\n","CCC(Cl)C","CCC(C)Cl","",1,"2-CHLOROBUTANE(1)","78-86-4(1)","452","High Reliability","-"]
[2433,"CC(C)CCl\n\n\n","ClCC(C)C","CC(C)CCl","",1,"ISOBUTYL CHLORIDE(1)","513-36-0(1)","1957","High Reliability","-"]
[2434,"CC(C)(C)Cl\n\n\n","CC(Cl)(C)C","CC(C)(C)Cl","",1,"T-BUTYL CHLORIDE(1)","507-20-0(1)","1940","High Reliability","-"]
[2435,"CC(O)C(C)Cl\n\n\n","CC(C(O)C)Cl","OC(C)C(C)Cl","",1,"2-BUTANOL, 3-CHLORO-(1)","563-84-8(1)","2182","High Reliability","-"]
[2436,"CC(C)(O)CCl\n\n\n","ClCC(O)(C)C","OC(C)(C)CCl","",1,"2-Propanol, 1-chloro-2-methyl-(1)","558-42-9(1)","2172","High Reliability","-"]
[2437,"CCCCI\n\n\n","CCCCI","CCCCI","",2,"N-BUTYL IODIDE(1), IODOBUTANE(1)","542-69-8(1), 25267-27-0(1)","2092, 4386","High Reliability","Checked on PubChem, Checked on ChemID"]
[2438,"CCC(C)I\n\n\n","CCC(I)C","CCC(C)I","",1,"2-IODOBUTANE(1)","513-48-4(1)","1960","High Reliability","-"]
[2439,"C1CCNC1\n[H+].[Cl-].C1CCNC1\n\n","C1CCCN1","N1CCCC1","",1,"PYRROLIDINE(1)","123-75-1(1)","1425","High Reliability","Differences in counterions"]
[2440,"CC(C)=NNC(N)=O\n\n\n","NC(=O)NN=C(C)C","O=C(N)NN=C(C)C","",1,"ACETONE, SEMICARBAZONE(1)","110-20-3(1)","1167","Medium Reliability","-"]
[2441,"CC(NC(N)=N)C(O)=O\nCC(NC=NN)C(O)=O\nCC(N=C(N)N)C(O)=O\n","NC(=N)NC(C(=O)O)C","O=C(O)C(NC(=N)N)C","",1,"l-alanine,n-(aminoiminomethyl)-(1)","1758-74-3(1)","2982","High Reliability","Stereochemistry removed, Name verified in PubChem"]
[2442,"CN(CC(O)=O)C(N)=N\n\n\n","OC(=O)CN(C(=N)N)C","O=C(O)CN(C(=N)N)C","",1,"CREATINE(1)","57-00-1(1)","114","High Reliability","-"]
[2443,"CCCC(N)=O\n\n\n","CCCC(=O)N","O=C(N)CCC","",1,"BUTYRAMIDE(1)","541-35-5(1)","2080","High Reliability","-"]
[2444,"CCC(C)=NO\n\n\n","CC(=NO)CC","ON=C(C)CC","",1,"2-BUTANONE OXIME(1)","96-29-7(1)","773","High Reliability","Stereochemistry removed"]
[2445,"C1COCCN1\n\n\n","C1CNCCO1","O1CCNCC1","",1,"MORPHOLINE(1)","110-91-8(1)","1198","High Reliability","-"]
[2446,"CN(C)C(C)=O\n\n\n","CC(=O)N(C)C","O=C(N(C)C)C","",1,"N,N'-DIMETHYLACETAMIDE(1)","127-19-5(1)","1471","Medium Reliability","-"]
[2447,"CCC(N)C(O)=O\n\n\n","CCC(C(=O)O)N","O=C(O)C(N)CC","",2,"ALPHA-AMINOBUTYRIC ACID(1), Butanoic acid, 2-amino-, (.+-.)-(1)","80-60-4(1), 2835-81-6(1)","497, 3293","Medium Reliability","-"]
[2448,"CCCC[N+]([O-])=O\n\n\n","CCCC[N+](=O)[O-]","O=[N+]([O-])CCCC","",1,"1-NITROBUTANE(1)","627-05-4(1)","2537","High Reliability","-"]
[2449,"CCCOC(N)=O\n\n\n","CCCOC(=O)N","O=C(OCCC)N","",1,"O-PROPYLCARBAMATE(1)","627-12-3(1)","2539","Medium Reliability","-"]
[2450,"CC(N)CC(O)=O\n\n\n","CC(CC(=O)O)N","O=C(O)CC(N)C","",1,"Butanoic acid, 3-amino-(1)","541-48-0(1)","2082","High Reliability","-"]
[2451,"CCOC(=O)NC\n\n\n","CCOC(=O)NC","O=C(OCC)NC","",1,"N-METHYLCARBAMIC ACID, ET ESTER(1)","105-40-8(1)","970","Medium Reliability","-"]
[2452,"CC(C)(N)C(O)=O\n\n\n","OC(=O)C(N)(C)C","O=C(O)C(N)(C)C","",1,"Alanine, 2-methyl-(1)","62-57-7(1)","211","High Reliability","-"]
[2453,"CC(=O)NCCO\n\n\n","CC(=O)NCCO","O=C(NCCO)C","",1,"Acetamide, N-(2-hydroxyethyl)-(1)","142-26-7(1)","1578","High Reliability","-"]
[2454,"CNCCC(O)=O\n\n\n","CNCCC(=O)O","O=C(O)CCNC","",1,".beta.-Alanine, N-methyl-(1)","2679-14-3(1)","3273","Medium Reliability","-"]
[2455,"NCCCC(O)=O\n\n\n","NCCCC(=O)O","O=C(O)CCCN","",1,"4-AMINOBUTYRIC ACID(1)","56-12-2(1)","89","High Reliability","-"]
[2456,"CC(N)C(O)C(O)=O\n\n\n","CC(C(C(=O)O)O)N","O=C(O)C(O)C(N)C","",1,"Butanoic acid, 3-amino-2-hydroxy-(1)","565-81-1(1)","2198","Medium Reliability","-"]
[2457,"CC(O)C(N)C(O)=O\n\n\n","CC(C(C(=O)O)N)O","O=C(O)C(N)C(O)C","",3,"DL-Threonine(1), DL-Allothreonine(1), threonine(l)(1)","80-68-2(1), 144-98-9(1), 72-19-5(1)","499, 1606, 292","High Reliability","Checked on PubChem, Stereochemistry removed, Name verified in PubChem"]
[2458,"CCCCO[N+]([O-])=O\n\n\n","[O-][N+](=O)OCCCC","O=[N+]([O-])OCCCC","",1,"BUTYL NITRATE(1)","928-45-0(1)","2751","High Reliability","-"]
[2459,"CCC(CO)[N+]([O-])=O\n\n\n","CCC([N+](=O)[O-])CO","O=[N+]([O-])C(CO)CC","",1,"2-NITRO-1-BUTANOL(1)","609-31-4(1)","2401","High Reliability","-"]
[2460,"CC(C)CO[N+]([O-])=O\n\n\n","CC(CO[N+](=O)[O-])C","O=[N+]([O-])OCC(C)C","",1,"ISOBUTYL NITRATE(1)","543-29-3(1)","2099","High Reliability","-"]
[2461,"CC(C)(CO)[N+]([O-])=O\n\n\n","OCC([N+](=O)[O-])(C)C","O=[N+]([O-])C(C)(C)CO","",1,"2-METHYL-2-NITRO-1-PROPANOL(1)","76-39-1(1)","397","High Reliability","-"]
[2462,"COCC(N)C(O)=O\n\n\n","COCC(C(=O)O)N","O=C(O)C(N)COC","",1,"DL-Serine, O-methyl-(1)","19794-53-7(1)","4239","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2463,"NC(CCO)C(O)=O\n\n\n","OCCC(C(=O)O)N","O=C(O)C(N)CCO","",2,"L-Homoserine(1), DL-Homoserine(1)","672-15-1(1), 1927-25-9(1)","2622, 3030","Medium Reliability, High Reliability","Stereochemistry removed"]
[2464,"CC(CO)(CO)[N+]([O-])=O\n\n\n","OCC([N+](=O)[O-])(CO)C","O=[N+]([O-])C(C)(CO)CO","",1,"2-METHYL-2-NITROPROPANE-1,3-DIOL(1)","77-49-6(1)","418","High Reliability","-"]
[2465,"OCC(CO)(CO)[N+]([O-])=O\n\n\n","OCC([N+](=O)[O-])(CO)CO","O=[N+]([O-])C(CO)(CO)CO","",1,"2-HYDROXYMETHYL-2-NITRO-1,3-PROPANEDIOL(1)","126-11-4(1)","1458","High Reliability","-"]
[2466,"OC(=O)CCCP(O)(O)=O\n[O-]C(=O)CCCP([O-])([O-])=O\n\n","OC(=O)CCCP(=O)(O)O","O=C(O)CCCP(=O)(O)O","",1,"Butanoic acid, 4-phosphono-(1)","4378-43-2(1)","3485","High Reliability","-"]
[2467,"ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl\n\n\n","ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl","C=1(C(=C(C(C=1Cl)(Cl)Cl)Cl)Cl)Cl","",1,"HEXACHLOROCYCLOPENTADIENE(1)","77-47-4(1)","417","High Reliability","-"]
[2468,"ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl\n\n\n","ClC1=C(Cl)C(C(C1(Cl)Cl)(Cl)Cl)(Cl)Cl","C1(=C(C(C(C1(Cl)Cl)(Cl)Cl)(Cl)Cl)Cl)Cl","",1,"OCTACHLOROCYCLOPENTENE(1)","706-78-5(1)","2650","High Reliability","-"]
[2469,"C1CCCC1\n\n\n","C1CCCC1","C1CCCC1","",1,"CYCLOPENTANE(1)","287-92-3(1)","1677","High Reliability","-"]
[2470,"CCCC=C\nCCC=CC\n\n","CCC=CC","C(=CCC)C","",4,"1-PENTENE(1), 2-PENTENE(1), CIS-2-PENTENE(1), TRANS-2-PENTENE(1)","109-67-1(1), 109-68-2(1), 627-20-3(1), 646-04-8(1)","1139, 1140, 2543, 2617","High Reliability","Stereochemistry removed"]
[2471,"CC=C(C)C\nCC(C)C=C\nCCC(C)=C\n","CC=C(C)C","C(=C(C)C)C","",3,"2-METHYL-2-BUTENE(1), 3-METHYL-1-BUTENE(1), 2-METHYL-1-BUTENE(1)","513-35-9(1), 563-45-1(1), 563-46-2(1)","1956, 2177, 2178","High Reliability","-"]
[2472,"OCC(CO)(CBr)CBr\n\n\n","OCC(CBr)(CBr)CO","OCC(CO)(CBr)CBr","",1,"1,3-PROPANEDIOL, 2,2-BIS(BRME)-(1)","3296-90-0(1)","3364","Medium Reliability","-"]
[2473,"ClCCOCOCCCl\n\n\n","ClCCOCOCCCl","O(COCCCl)CCCl","",1,"BIS(2-CHLOROETHOXY)METHANE(1)","111-91-1(1)","1238","High Reliability","-"]
[2474,"O=NN1CCCCC1\n\n\n","O=NN1CCCCC1","O=NN1CCCCC1","",1,"N-NITROSOPIPERIDINE(1)","100-75-4(1)","898","High Reliability","-"]
[2475,"CCCC(=O)N(C)N=O\n\n\n","CN(C(=O)CCC)N=O","O=NN(C(=O)CCC)C","",1,"Butanamide, N-methyl-N-nitroso-(1)","16395-81-6(1)","4102","Medium Reliability","-"]
[2476,"NC(=O)CCCC(N)=O\n\n\n","NC(=O)CCCC(=O)N","O=C(N)CCCC(=O)N","",1,"Pentanediamide(1)","3424-60-0(1)","3381","High Reliability","-"]
[2477,"CNC(=O)ON=C(C)SC\n\n\n","CNC(=O)ON=C(SC)C","O=C(ON=C(C)SC)NC","",1,"METHOMYL(1)","16752-77-5(1)","4114","Medium Reliability","Stereochemistry removed"]
[2478,"CC(C)(NC(N)=O)C(O)=O\n\n\n","NC(=O)NC(C(=O)O)(C)C","O=C(N)NC(C(=O)O)(C)C","",1,"Alanine, N-(aminocarbonyl)-2-methyl-(1)","38605-63-9(1)","4689","Medium Reliability","-"]
[2479,"NC(CCC(N)=O)C(O)=O\n\n\n","NC(=O)CCC(C(=O)O)N","O=C(O)C(N)CCC(=O)N","",1,"GLUTAMINE(1)","56-85-9(1)","110","Medium Reliability","Stereochemistry removed"]
[2480,"CN1CSC(=S)N(C)C1\n\n\n","CN1CN(C)CSC1=S","C1(N(C)CN(C)CS1)(=S)","",1,"DMTT (DAZOMET)(1)","533-74-4(1)","2027","Medium Reliability","-"]
[2481,"CCCCC=O\nOCCCC=C\n\n","CCCCC=O","O=CCCCC","",2,"1-PENTANAL(1), 4-PENTEN-1-OL(1)","110-62-3(1), 821-09-0(1)","1182, 2698","High Reliability","-"]
[2482,"C1CCOCC1\n\n\n","C1CCCOC1","O1CCCCC1","",1,"TETRAHYDROPYRAN(1)","142-68-7(1)","1586","High Reliability","-"]
[2483,"CCOC1CC1\n\n\n","CCOC1CC1","O(CC)C1CC1","",1,"CYCLOPROPANE, ETHOXY-(1)","5614-38-0(1)","3637","High Reliability","-"]
[2484,"CCCC(C)=O\nCC=CC(C)O\n\n","CCCC(=O)C","O=C(C)CCC","",2,"2-PENTANONE(1), 3-PENTEN-2-OL(1)","107-87-9(1), 1569-50-2(1)","1055, 2927","High Reliability","Stereochemistry removed"]
[2485,"CCC(=O)CC\nCCC(O)C=C\n\n","CCC(=O)CC","O=C(CC)CC","",2,"3-PENTANONE(1), 1-PENTEN-3-OL(1)","96-22-0(1), 616-25-1(1)","770, 2443","High Reliability","-"]
[2486,"CC(C)C(C)=O\n\n\n","CC(=O)C(C)C","O=C(C)C(C)C","",1,"3-METHYL-2-BUTANONE(1)","563-80-4(1)","2181","High Reliability","-"]
[2487,"CC(C)(O)C=C\n\n\n","C=CC(O)(C)C","OC(C=C)(C)C","",1,"3-Buten-2-ol, 2-methyl-(1)","115-18-4(1)","1273","High Reliability","-"]
[2488,"CC(C)CC=O\n\n\n","O=CCC(C)C","O=CCC(C)C","",1,"3-METHYL-1-BUTANAL(1)","590-86-3(1)","2293","High Reliability","-"]
[2489,"CC1CCOC1\n\n\n","CC1COCC1","O1CCC(C)C1","",1,"Furan, tetrahydro-3-methyl-(1)","13423-15-9(1)","3974","High Reliability","-"]
[2490,"CC1CCCO1\n\n\n","CC1CCCO1","O1CCCC1C","",1,"2-METHYLTETRAHYDROFURAN(1)","96-47-9(1)","778","High Reliability","-"]
[2491,"CCCCC(O)=O\n[Zn+2].CCCCC([O-])=O.CCCCC([O-])=O\n\n","CCCCC(=O)O","O=C(O)CCCC","",2,"PENTANOIC ACID(1), Zinc Valerate(1)","109-52-4(1), 556-38-7(1)","1129, 2156","High Reliability","-"]
[2492,"CCCCOC=O\n\n\n","CCCCOC=O","O=COCCCC","",1,"N-BUTYLFORMATE(1)","592-84-7(1)","2317","Medium Reliability","-"]
[2493,"CCC1OCCO1\n\n\n","CCC1OCCO1","O1CCOC1CC","",1,"1,3-DIOXOLANE, 2-ETHYL-(1)","2568-96-9(1)","3238","High Reliability","-"]
[2494,"CCC(C)C(O)=O\n\n\n","CC(C(=O)O)CC","O=C(O)C(C)CC","",1,"BUTANOIC ACID, 2-METHYL-(1)","116-53-0(1)","1303","High Reliability","-"]
[2495,"CCCC(=O)OC\n\n\n","CCCC(=O)OC","O=C(OC)CCC","",1,"METHYLBUTYRATE(1)","623-42-7(1)","2496","High Reliability","-"]
[2496,"CCCOC(C)=O\n\n\n","CCCOC(=O)C","O=C(OCCC)C","",1,"N-PROPYL ACETATE(1)","109-60-4(1)","1135","High Reliability","-"]
[2497,"CCOC(=O)CC\n\n\n","CCOC(=O)CC","O=C(OCC)CC","",1,"ETHYL PROPIONATE(1)","105-37-3(1)","968","High Reliability","-"]
[2498,"CC(C)CC(O)=O\n\n\n","CC(CC(=O)O)C","O=C(O)CC(C)C","",1,"ISOVALERIC ACID(1)","503-74-2(1)","1926","High Reliability","-"]
[2499,"CC(C)OC(C)=O\n\n\n","CC(OC(=O)C)C","O=C(OC(C)C)C","",1,"ISOPROPYL ACETATE(1)","108-21-4(1)","1074","High Reliability","-"]
[2500,"CC(O)C(C)C=O\n\n\n","CC(C(O)C)C=O","O=CC(C)C(O)C","",1,"Butanal, 3-hydroxy-2-methyl-(1)","99506-67-9(1)","5439","Medium Reliability","-"]
[2501,"CC(C)COC=O\n\n\n","O=COCC(C)C","O=COCC(C)C","",1,"ISOBUTYL FORMATE(1)","542-55-2(1)","2091","High Reliability","-"]
[2502,"CC1(C)OCCO1\n\n\n","CC1(C)OCCO1","O1CCOC1(C)C","",1,"1,3-DIOXOLANE, 2,2-DIMETHYL-(1)","2916-31-6(1)","3297","High Reliability","-"]
[2503,"CC(C)(C)C(O)=O\n\n\n","OC(=O)C(C)(C)C","O=C(O)C(C)(C)C","",1,"2,2-Dimethyl propanoic acid(1)","75-98-9(1)","377","High Reliability","-"]
[2504,"CC(C)(CO)C=O\n\n\n","OCC(C=O)(C)C","O=CC(C)(C)CO","",1,"3-HYDROXY-2,2-DIMETHYLPROPANAL(1)","597-31-9(1)","2335","High Reliability","-"]
[2505,"OCC1CCCO1\n\n\n","OCC1CCCO1","OCC1OCCC1","",1,"TETRAHYDROFURFURYL ALCOHOL(1)","97-99-4(1)","806","High Reliability","-"]
[2506,"CC(=O)OCC(S)CS\n\n\n","CC(=O)OCC(CS)S","O=C(OCC(CS)S)C","",1,"1-Propanol, 2,3-dimercapto-, 1-acetate(1)","98070-12-3(1)","5415","Medium Reliability","-"]
[2507,"CCOC(=O)OCC\n\n\n","CCOC(=O)OCC","O=C(OCC)OCC","",1,"DIETHYL CARBONATE(1)","105-58-8(1)","978","High Reliability","-"]
[2508,"CCOC(=O)C(C)O\n\n\n","CCOC(=O)C(O)C","O=C(OCC)C(O)C","",1,"ETHYL LACTATE(1)","97-64-3(1)","800","High Reliability","-"]
[2509,"COCCOC(C)=O\n\n\n","COCCOC(=O)C","O=C(OCCOC)C","",1,"2-METHOXYETHYL ACETATE(1)","110-49-6(1)","1174","High Reliability","-"]
[2510,"COCCC(=O)OC\n\n\n","COCCC(=O)OC","O=C(OC)CCOC","",1,"Propanoic acid, 3-methoxy-, methyl ester(1)","3852-09-3(1)","3440","High Reliability","-"]
[2511,"CCCCCBr\n\n\n","CCCCCBr","CCCCCBr","",1,"1-BROMOPENTANE(1)","110-53-2(1)","1176","High Reliability","-"]
[2512,"CC(C)CCBr\n\n\n","BrCCC(C)C","CC(C)CCBr","",1,"1-BROMO-3-METHYLBUTANE(1)","107-82-4(1)","1053","High Reliability","-"]
[2513,"CCCCCCl\n\n\n","CCCCCCl","CCCCCCl","",1,"1-CHLOROPENTANE(1)","543-59-9(1)","2101","High Reliability","-"]
[2514,"CCCC(C)Cl\n\n\n","CCCC(Cl)C","CCCC(C)Cl","",1,"2-CHLOROPENTANE(1)","625-29-6(1)","2516","High Reliability","-"]
[2515,"CCC(Cl)CC\n\n\n","CCC(CC)Cl","CCC(CC)Cl","",1,"3-CHLOROPENTANE(1)","616-20-6(1)","2442","High Reliability","-"]
[2516,"CCC(C)(C)Cl\n\n\n","CCC(Cl)(C)C","CCC(C)(C)Cl","",1,"BUTANE, 2-CHLORO-2-METHYL-(1)","594-36-5(1)","2323","High Reliability","-"]
[2517,"CN(CCCl)CCCl\n\n\n","ClCCN(CCCl)C","N(C)(CCCl)CCCl","",1,"Mechlorethamine(1)","51-75-2(1)","53","High Reliability","-"]
[2518,"COC(C)C(C)Cl\n\n\n","COC(C(Cl)C)C","O(C)C(C)C(C)Cl","",1,"Butane, 2-chloro-3-methoxy-(1)","102671-05-6(1)","5476","Medium Reliability","-"]
[2519,"CC(Cl)C(C)(C)O\n\n\n","CC(C(O)(C)C)Cl","OC(C)(C)C(C)Cl","",1,"2-Butanol, 3-chloro-2-methyl-(1)","21326-62-5(1)","4292","Medium Reliability","-"]
[2520,"C1CCNCC1\n\n\n","C1CCCNC1","N1CCCCC1","",1,"PIPERIDINE(1)","110-89-4(1)","1197","High Reliability","-"]
[2521,"CCOP(=O)(C#N)N(C)C\n\n\n","CCOP(=O)(N(C)C)C#N","N#CP(=O)(OCC)N(C)C","",1,"TABUN(1)","77-81-6(1)","424","High Reliability","-"]
[2522,"CCN(CC)C=O\n\n\n","CCN(C=O)CC","O=CN(CC)CC","",1,"N,N-DIETHYLFORMAMIDE(1)","617-84-5(1)","2459","High Reliability","-"]
[2523,"CN1CCOCC1\n\n\n","CN1CCOCC1","O1CCN(C)CC1","",1,"N-METHYLMORPHOLINE(1)","109-02-4(1)","1118","High Reliability","-"]
[2524,"CCCC(N)C(O)=O\n\n\n","CCCC(C(=O)O)N","O=C(O)C(N)CCC","",3,"Norvaline(1), DL-Norvaline(1), NORVALINE(1)","498-18-0(1), 760-78-1(1), 6600-40-4(1)","1900, 2675, 3767","Medium Reliability, High Reliability","Stereochemistry removed"]
[2525,"CCCCC[N+]([O-])=O\n\n\n","CCCCC[N+](=O)[O-]","O=[N+]([O-])CCCCC","",1,"1-NITROPENTANE(1)","628-05-7(1)","2551","High Reliability","-"]
[2526,"CCCCOC(N)=O\n\n\n","CCCCOC(=O)N","O=C(OCCCC)N","",1,"O-BUTYL CARBAMATE(1)","592-35-8(1)","2312","Medium Reliability","-"]
[2527,"CC(C)C(N)C(O)=O\n\n\n","NC(C(=O)O)C(C)C","O=C(O)C(N)C(C)C","",2,"VALINE(1), DL-Valine(1)","72-18-4(1), 516-06-3(1)","291, 1973","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2528,"CCC(C)(N)C(O)=O\n[H+].[Cl-].CCC(C)(N)C(O)=O\n\n","CC(C(=O)O)(CC)N","O=C(O)C(N)(C)CC","",1,"DL-Isovaline(1)","595-39-1(1)","2330","High Reliability","Checked on PubChem, Checked on ChemID"]
[2529,"CCNC(=O)OCC\n\n\n","CCNC(=O)OCC","O=C(OCC)NCC","",1,"ETHYL ETHYLCARBAMATE(1)","623-78-9(1)","2497","High Reliability","-"]
[2530,"CC(C)COC(N)=O\n\n\n","CC(COC(=O)N)C","O=C(OCC(C)C)N","",1,"Carbamic acid, 2-methylpropyl ester(1)","543-28-2(1)","2098","High Reliability","-"]
[2531,"CC(C)(C)OC(N)=O\n\n\n","NC(=O)OC(C)(C)C","O=C(OC(C)(C)C)N","",1,"O-T-BUTYL CARBAMATE(1)","4248-19-5(1)","3474","Medium Reliability","-"]
[2532,"C[N+](C)(C)CC([O-])=O\n\n\n","OC(=O)C[N+](C)(C)C","O=C(O)C[N+](C)(C)C","",1,"BETAINE(1)","107-43-7(1)","1045","High Reliability","-"]
[2533,"NCCCCC(O)=O\n\n\n","NCCCCC(=O)O","O=C(O)CCCCN","",1,"5-AMINOPENTANOIC ACID(1)","660-88-8(1)","2620","High Reliability","-"]
[2534,"CSCCC(N)C(O)=O\n\n\n","CSCCC(C(=O)O)N","O=C(O)C(N)CCSC","",2,"DL-Methionine(1), METHIONINE(1)","59-51-8(1), 63-68-3(1)","171, 219","High Reliability","Stereochemistry removed"]
[2535,"CCCCCO[N+]([O-])=O\n\n\n","CCCCCO[N+](=O)[O-]","O=[N+]([O-])OCCCCC","",1,"1-PENTYL NITRATE(1)","1002-16-0(1)","2791","High Reliability","-"]
[2536,"CCOCC(N)C(O)=O\n\n\n","CCOCC(C(=O)O)N","O=C(O)C(N)COCC","",1,"Serine, O-ethyl-(1)","4775-82-0(1)","3534","Medium Reliability","Stereochemistry removed"]
[2537,"CC(C)CCO[N+]([O-])=O\nCC(C)CCO.O[N+]([O-])=O\n\n","CC(CCO[N+](=O)[O-])C","O=[N+]([O-])OCCC(C)C","",1,"1-butanol,3-methyl-,nitrate(1)","543-87-3(1)","2104","High Reliability","Name verified in PubChem"]
[2538,"CCC(CO)(CO)[N+]([O-])=O\n\n\n","CCC([N+](=O)[O-])(CO)CO","O=[N+]([O-])C(CO)(CO)CC","",1,"2-ETHYL-2-NITRO-1,3-PROPANEDIOL(1)","597-09-1(1)","2334","High Reliability","-"]
[2539,"CN(C)C1CSSC1\n\n\n","CN(C1CSSC1)C","N(C)(C)C1CSSC1","",1,"Nereistoxin(1)","1631-58-9(1)","2946","High Reliability","-"]
[2540,"CCCCC\n\n\n","CCCCC","CCCCC","",1,"N-PENTANE(1)","109-66-0(1)","1138","High Reliability","-"]
[2541,"CCC(C)C\n\n\n","CCC(C)C","CCC(C)C","",1,"ISOPENTANE(1)","78-78-4(1)","446","High Reliability","-"]
[2542,"CC(C)(C)C\n\n\n","CC(C)(C)C","CC(C)(C)C","",1,"2,2-DIMETHYLPROPANE(1)","463-82-1(1)","1812","High Reliability","-"]
[2543,"CN(C)CCCCl\n[H+].[Cl-].CN(C)CCCCl\n\n","ClCCCN(C)C","N(C)(C)CCCCl","",1,"1-Propanamine, 3-chloro-N,N-dimethyl-(1)","109-54-6(1)","1131","High Reliability","Differences in counterions"]
[2544,"CCOP(=S)(OCC)SCCl\n\n\n","CCOP(=S)(SCCl)OCC","O(CC)P(OCC)(=S)SCCl","",1,"CHLORMEPHOS(1)","24934-91-6(1)","4373","High Reliability","-"]
[2545,"CC1CNCCN1\n\n\n","CC1CNCCN1","N1CCNC(C)C1","",1,"Piperazine, 2-methyl-(1)","109-07-9(1)","1121","High Reliability","-"]
[2546,"CC(C)(C)NC(N)=O\n\n\n","NC(=O)NC(C)(C)C","O=C(N)NC(C)(C)C","",1,"Urea, (1,1-dimethylethyl)-(1)","1118-12-3(1)","2832","High Reliability","-"]
[2547,"CN(C)C(=O)N(C)C\n\n\n","CN(C(=O)N(C)C)C","O=C(N(C)C)N(C)C","",1,"TETRAMETHYLUREA(1)","632-22-4(1)","2580","High Reliability","-"]
[2548,"CCC(C)NC(N)=S\n\n\n","CC(NC(=S)N)CC","NC(NC(C)CC)=S","",1,"Thiourea, (1-methylpropyl)-(1)","6814-99-9(1)","3784","Medium Reliability","Stereochemistry removed"]
[2549,"CSC(=NC)N(C)C\n\n\n","CSC(=NC)N(C)C","N(=C(N(C)C)SC)C","",1,"Carbamimidothioic acid, trimethyl-, methyl ester(1)","61713-37-9(1)","5009","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[2550,"CNC(=O)CSP(=S)(OC)OC\n\n\n","CNC(=O)CSP(=S)(OC)OC","O=C(NC)CSP(OC)(OC)=S","",1,"DIMETHOATE(1)","60-51-5(1)","190","High Reliability","-"]
[2551,"[NH4+].CP(O)(=O)CCC(N)C([O-])=O\n\n\n","OC(=O)C(CCP(=O)(O)C)N","O=C(O)C(N)CCP(=O)(O)C","",1,"GLUFOSINATE-AMMONIUM(1)","77182-82-2(1)","5235","High Reliability","-"]
[2552,"CNC(=O)CSP(=O)(OC)OC\n\n\n","CNC(=O)CSP(=O)(OC)OC","O=C(NC)CSP(=O)(OC)OC","",1,"DIMETHOXON(1)","1113-02-6(1)","2824","High Reliability","-"]
[2553,"CCCCCO\n\n\n","CCCCCO","OCCCCC","",1,"1-PENTANOL(1)","71-41-0(1)","285","High Reliability","-"]
[2554,"CCCC(C)O\n\n\n","CCCC(O)C","OC(C)CCC","",1,"2-PENTANOL(1)","6032-29-7(1)","3691","High Reliability","-"]
[2555,"CCCCOC\n\n\n","CCCCOC","O(C)CCCC","",1,"METHYL N-BUTYL ETHER(1)","628-28-4(1)","2552","High Reliability","-"]
[2556,"CCC(C)CO\n\n\n","CCC(CO)C","OCC(C)CC","",1,"2-METHYL-1-BUTANOL(1)","137-32-6(1)","1532","High Reliability","-"]
[2557,"CCC(O)CC\n\n\n","CCC(CC)O","OC(CC)CC","",1,"3-PENTANOL(1)","584-02-1(1)","2243","High Reliability","-"]
[2558,"CCCOCC\n\n\n","CCOCCC","O(CC)CCC","",1,"ETHYL PROPYL ETHER(1)","628-32-0(1)","2553","High Reliability","-"]
[2559,"CC(C)C(C)O\n\n\n","CC(C(C)C)O","OC(C)C(C)C","",1,"3-METHYL-2-BUTANOL(1)","598-75-4(1)","2351","High Reliability","-"]
[2560,"CCC(C)OC\n\n\n","CCC(OC)C","O(C)C(C)CC","",1,"SEC-BUTYL METHYL ETHER(1)","6795-87-5(1)","3781","High Reliability","Checked on PubChem, Checked on ChemID"]
[2561,"CCC(C)(C)O\n\n\n","CCC(O)(C)C","OC(C)(C)CC","",1,"2-METHYL-2-BUTANOL(1)","75-85-4(1)","370","High Reliability","-"]
[2562,"CCOC(C)C\n\n\n","CCOC(C)C","O(CC)C(C)C","",1,"ETHYL ISOPROPYL ETHER(1)","625-54-7(1)","2520","High Reliability","-"]
[2563,"CC(C)CCO\n\n\n","OCCC(C)C","OCCC(C)C","",1,"ISOPENTANOL(1)","123-51-3(1)","1418","High Reliability","-"]
[2564,"COCC(C)C\n\n\n","COCC(C)C","O(C)CC(C)C","",1,"METHYL ISOBUTYL ETHER(1)","625-44-5(1)","2517","High Reliability","-"]
[2565,"CC(C)(C)CO\n\n\n","OCC(C)(C)C","OCC(C)(C)C","",1,"2,2-DIMETHYL-1-PROPANOL(1)","75-84-3(1)","369","High Reliability","-"]
[2566,"COC(C)(C)C\n\n\n","COC(C)(C)C","O(C)C(C)(C)C","",1,"METHYL T-BUTYL ETHER(1)","1634-04-4(1)","2947","High Reliability","-"]
[2567,"CCOCOCC\n\n\n","CCOCOCC","O(COCC)CC","",1,"DIETHOXYMETHANE(1)","462-95-3(1)","1811","High Reliability","-"]
[2568,"CC(C)OCCO\n\n\n","OCCOC(C)C","OCCOC(C)C","",1,"2-Isopropoxyethanol(1)","109-59-1(1)","1134","High Reliability","-"]
[2569,"COCCOCCO\n\n\n","COCCOCCO","OCCOCCOC","",1,"DIETHYLENE GLYCOL MONOMETHYL ETHER(1)","111-77-3(1)","1231","High Reliability","-"]
[2570,"OCC(CO)(CO)CO\n\n\n","OCC(CO)(CO)CO","OCC(CO)(CO)CO","",1,"PENTAERYTHRITOL(1)","115-77-5(1)","1288","High Reliability","-"]
[2571,"CC(C)(S(C)(=O)=O)S(C)(=O)=O\n\n\n","CC(S(=O)(=O)C)(S(=O)(=O)C)C","O=S(=O)(C)C(C)(C)S(=O)(=O)C","",1,"Propane, 2,2-bis(methylsulfonyl)-(1)","60154-00-9(1)","4981","High Reliability","-"]
[2572,"OCC(O)C(O)C(O)CO\n\n\n","OCC(C(C(CO)O)O)O","OCC(O)C(O)C(O)CO","",1,"Xylitol(1)","87-99-0(1)","605","High Reliability","Stereochemistry removed"]
[2573,"CCCCCS\n\n\n","CCCCCS","CCCCCS","",1,"1-PENTANETHIOL(1)","110-66-7(1)","1185","High Reliability","-"]
[2574,"CCCCCN\n\n\n","CCCCCN","NCCCCC","",1,"N-PENTYLAMINE(1)","110-58-7(1)","1180","High Reliability","-"]
[2575,"CCCCNC\nCCCC[NH2+]C\n\n","CCCCNC","N(C)CCCC","",1,"METHYLBUTYLAMINE(1)","110-68-9(1)","1186","High Reliability","-"]
[2576,"CCN(C)CC\nCC[NH+](C)CC\n\n","CCN(CC)C","N(C)(CC)CC","",1,"Ethanamine, N-ethyl-N-methyl-(1)","616-39-7(1)","2444","High Reliability","-"]
[2577,"CCNC(C)C\n\n\n","CCNC(C)C","N(CC)C(C)C","",1,"ETHYL ISOPROPYLAMINE(1)","19961-27-4(1)","4244","High Reliability","-"]
[2578,"CC(C)N(C)C\n\n\n","CN(C(C)C)C","N(C)(C)C(C)C","",1,"N,N-Dimethylisopropylamine(1)","996-35-0(1)","2786","High Reliability","-"]
[2579,"CCC(N)(CO)CO\n\n\n","CCC(CO)(CO)N","OCC(N)(CO)CC","",1,"1,3-Propanediol, 2-amino-2-ethyl-(1)","115-70-8(1)","1286","High Reliability","-"]
[2580,"CN(CCO)CCO\n\n\n","OCCN(CCO)C","OCCN(C)CCO","",1,"N-METHYLDIETHANOLAMINE(1)","105-59-9(1)","979","High Reliability","-"]
[2581,"CCCOP(=O)(OC)OC\n\n\n","CCCOP(=O)(OC)OC","O=P(OC)(OC)OCCC","",1,"Phosphoric acid, dimethyl propyl ester(1)","59259-32-4(1)","4970","Medium Reliability","-"]
[2582,"CN(C)CCCN\n\n\n","NCCCN(C)C","NCCCN(C)C","",1,"1,3-Propanediamine, N,N-dimethyl-(1)","109-55-7(1)","1132","High Reliability","-"]
[2583,"CC(O)CNCCN\n\n\n","NCCNCC(O)C","OC(C)CNCCN","",1,"1-[(2-Aminoethyl)amino]-2-propanol(1)","123-84-2(1)","1427","Medium Reliability","-"]
[2584,"OC(=O)c1c(Br)c(Br)co1\n\n\n","OC(=O)c1occ(c1Br)Br","O=C(O)c1occ(c1Br)Br","",1,"2-Furancarboxylic acid, 3,4-dibromo-(1)","32460-04-1(1)","4535","Medium Reliability","-"]
[2585,"OC(=O)c1c(Cl)c(Cl)co1\n\n\n","OC(=O)c1occ(c1Cl)Cl","O=C(O)c1occ(c1Cl)Cl","",1,"2-Furancarboxylic acid, 3,4-dichloro-(1)","69727-40-8(1)","5126","High Reliability","-"]
[2586,"Brc1ccc(o1)C=O\n\n\n","Brc1ccc(o1)C=O","O=Cc1oc(cc1)Br","",1,"2-Furancarboxaldehyde, 5-bromo-(1)","1899-24-7(1)","3015","High Reliability","-"]
[2587,"OC(=O)c1cc(Br)co1\n\n\n","OC(=O)c1cc(co1)Br","O=C(O)c1occ(c1)Br","",1,"2-Furancarboxylic acid, 4-bromo-(1)","3439-02-9(1)","3384","Medium Reliability","-"]
[2588,"OC(=O)c1ccc(Br)o1\n\n\n","OC(=O)c1ccc(o1)Br","O=C(O)c1oc(cc1)Br","",1,"2-Furancarboxylic acid, 5-bromo-(1)","585-70-6(1)","2250","High Reliability","-"]
[2589,"Clc1ncnc2nc[nH]c12\n\n\n","Clc1ncnc2c1[nH]cn2","n1cnc(c2[nH]cnc12)Cl","",1,"6-Chloropurine(1)","87-42-3(1)","588","High Reliability","Checked on PubChem, Checked on ChemID"]
[2590,"OC(=O)c1ccc(Cl)o1\n[O-]C(=O)c1oc(Cl)cc1\n\n","OC(=O)c1ccc(o1)Cl","O=C(O)c1oc(cc1)Cl","",1,"2-Furancarboxylic acid, 5-chloro-(1)","618-30-4(1)","2463","High Reliability","-"]
[2591,"Brc1ccccn1\n\n\n","Brc1ccccn1","n1ccccc1Br","",1,"2-BROMOPYRIDINE(1)","109-04-6(1)","1119","High Reliability","-"]
[2592,"Clc1ncccc1\n\n\n","Clc1ccccn1","n1ccccc1Cl","",1,"2-CHLOROPYRIDINE(1)","109-09-1(1)","1123","High Reliability","-"]
[2593,"Ic1c[nH]c(=O)cc1\n\n\n","Ic1ccc(=O)[nH]c1","O=C1C=CC(=CN1)I","",1,"2(1H)-Pyridinone, 5-iodo-(1)","13472-79-2(1)","3980","High Reliability","-"]
[2594,"OC(=O)c1cc(O)nc(O)n1\nOC(=O)c1cc(=O)[nH]c(=O)[nH]1\n\n","Oc1nc(O)nc(c1)C(=O)O","O=C(O)c1nc(O)nc(O)c1","",1,"OROTIC ACID(1)","65-86-1(1)","240","High Reliability","-"]
[2595,"OC(=O)c1c(nc[nH]1)C(O)=O\n\n\n","OC(=O)c1[nH]cnc1C(=O)O","O=C(O)c1nc[nH]c1(C(=O)O)","",1,"1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID(1)","570-22-9(1)","2202","High Reliability","-"]
[2596,"ON=Cc1ccc(o1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(o1)C=NO","O=[N+]([O-])c1oc(C=NO)cc1","",1,"NIFUROXIME(1)","6236-05-1(1)","3718","High Reliability","Stereochemistry removed"]
[2597,"[nH]1cnc2cncnc12\n[nH]1cnc-2ncnc2c1\n\n","c1ncc2c(n1)[nH]cn2","n1cnc2[nH]cnc2(c1)","",1,"1H-PURINE(1)","120-73-0(1)","1361","High Reliability","-"]
[2598,"Oc1ncnc2c1cn[nH]2\nO=c1ncnc-2[nH][nH]cc12\n\n","Oc1ncnc2c1cn[nH]2","Oc1ncnc2[nH]ncc12","",1,"ALLOPURINOL(1)","315-30-0(1)","1723","High Reliability","-"]
[2599,"O=c1[nH]cnc2c1[nH]cn2\nO=c1nc[nH]c2nc[nH]c12\n\n","O=c1[nH]cnc2c1[nH]cn2","O=C2NC=Nc1nc[nH]c12","",1,"HYPOXANTHINE(1)","68-94-0(1)","263","High Reliability","-"]
[2600,"O=c1[nH]c2c([nH]cn2)cn1\nO=c1[nH]cc-2ncnc2[nH]1\n\n","O=c1ncc2c([nH]1)nc[nH]2","O=C1N=Cc2[nH]cnc2(N1)","",1,"2H-Purin-2-one, 1,3-dihydro-(1)","2308-57-8(1)","3164","High Reliability","-"]
[2601,"O=c1[nH]c-2c[nH]cnc2n1\nO=c1[nH]c2cncnc2[nH]1\n\n","O=c1nc2c([nH]1)c[nH]cn2","O=C1N=C2N=CNC=C2(N1)","",1,"8H-Purin-8-one, 1,7-dihydro-(1)","13230-97-2(1)","3963","Medium Reliability","Checked on PubChem"]
[2602,"O=c1[nH]c2c([nH]cn2)c(=O)[nH]1\n\n\n","O=c1[nH]c(=O)c2c([nH]1)nc[nH]2","O=C1NC(=O)c2[nH]cnc2(N1)","",1,"XANTHINE(1)","69-89-6(1)","271","High Reliability","-"]
[2603,"O=c1[nH]c2c([nH]1)c(=O)[nH]c(=O)[nH]2\n\n\n","O=c1[nH]c2c([nH]1)[nH]c(=O)[nH]c2=O","O=C1NC(=O)C=2NC(=O)NC=2(N1)","",1,"URIC ACID(1)","69-93-2(1)","272","High Reliability","-"]
[2604,"S=c1[nH]cnc2c1nc[nH]2\nO.Sc1ncnc2nc[nH]c12\nS=c1nc[nH]c2nc[nH]c12\n","S=c1[nH]cnc2c1nc[nH]2","N1=CNC(c2nc[nH]c12)=S","",1,"6-PURINETHIOL HYDRATE(1)","50-44-2(1)","22","Medium Reliability","-"]
[2605,"Sc1ncc-2ncnc2[nH]1\nS=c1[nH]cc-2ncnc2[nH]1\nS=c1[nH]c2nc[nH]c2cn1\n","Sc1ncc2c([nH]1)ncn2","N1=CN=C2NC(=NC=C12)S","",1,"2H-Purine-2-thione, 1,3-dihydro-(1)","28128-19-0(1)","4457","High Reliability","-"]
[2606,"S=c1[nH]c2cncnc2[nH]1\nS=c1[nH]c-2c[nH]cnc2n1\n\n","S=c1[nH]c2c([nH]1)cncn2","n1cnc2NC(Nc2(c1))=S","",1,"8H-Purine-8-thione, 1,7-dihydro-(1)","583-40-4(1)","2236","Medium Reliability","-"]
[2607,"C=C1OC(=O)C=C1\n\n\n","C=C1C=CC(=O)O1","O=C1OC(=C)C=C1","",1,"2(5H)-FURANONE, 5-METHYLENE-(1)","108-28-1(1)","1076","High Reliability","-"]
[2608,"O=Cc1ccco1\n\n\n","O=Cc1ccco1","O=Cc1occc1","",1,"FUFURAL(1)","98-01-1(1)","808","Medium Reliability","-"]
[2609,"OC(=O)c1cscc1\n\n\n","OC(=O)c1cscc1","O=C(O)c1ccsc1","",1,"THIOPHENE-3-CARBOXYLIC ACID(1)","88-13-1(1)","609","High Reliability","-"]
[2610,"OC(=O)c1cccs1\n\n\n","OC(=O)c1cccs1","O=C(O)c1cccs1","",1,"THIOPHENE-2-CARBOXYLIC ACID(1)","527-72-0(1)","2001","High Reliability","-"]
[2611,"OC(=O)c1ccco1\n\n\n","OC(=O)c1ccco1","O=C(O)c1occc1","",1,"2-FURANCARBOXYLIC ACID(1)","88-14-2(1)","610","High Reliability","-"]
[2612,"CCOc1nc(ns1)C(Cl)(Cl)Cl\n\n\n","CCOc1snc(n1)C(Cl)(Cl)Cl","n1c(nsc1OCC)C(Cl)(Cl)Cl","",1,"etridazole(1)","2593-15-9(1)","3248","Medium Reliability","Name verified in PubChem"]
[2613,"C=CC=CC#N\n\n\n","C=CC=CC#N","N#CC=CC=C","",1,"2,4-Pentadienenitrile(1)","1615-70-9(1)","2944","High Reliability","Stereochemistry removed"]
[2614,"c1ccncc1\n\n\n","c1cccnc1","n1ccccc1","",1,"PYRIDINE(1)","110-86-1(1)","1195","High Reliability","-"]
[2615,"NC(=O)c1nccnc1\n\n\n","NC(=O)c1cnccn1","O=C(N)c1nccnc1","",1,"2-PYRAZINECARBOXAMIDE(1)","98-96-4(1)","833","High Reliability","-"]
[2616,"Cn1cc(c(=O)[nH]c1=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cn(C)c(=O)[nH]c1=O","O=C1NC(=O)N(C=C1[N+](=O)[O-])C","",1,"2,4(1H,3H)-Pyrimidinedione, 1-methyl-5-nitro-(1)","28495-88-7(1)","4465","Medium Reliability","-"]
[2617,"Nc1ncnc2c1nc[nH]2\nNc1ncnc2nc[nH]c12\n\n","Nc1ncnc2c1nc[nH]2","n1cnc2[nH]cnc2(c1N)","",1,"ADENINE(1)","73-24-5(1)","300","High Reliability","-"]
[2618,"Nc1ncc2[nH]cnc2n1\nNc1[nH]cc-2ncnc2n1\n\n","Nc1ncc2c(n1)nc[nH]2","n1c[nH]c2cnc(nc12)N","",1,"1H-Purin-2-amine(1)","452-06-2(1)","1793","High Reliability","-"]
[2619,"Nc1nc2c(nc[nH]2)c(=O)[nH]1\nNc1nc2nc[nH]c2c(=O)[nH]1\nNc1nc(=O)c2[nH]cnc2[nH]1\n","Nc1[nH]c(=O)c2c(n1)[nH]cn2","O=C1NC(=Nc2[nH]cnc12)N","",1,"GUANINE(1)","73-40-5(1)","302","High Reliability","-"]
[2620,"Oc1ccncc1\nO=c1cc[nH]cc1\n\n","Oc1ccncc1","Oc1ccncc1","",1,"4-HYDROXYPYRIDINE(1)","626-64-2(1)","2530","High Reliability","-"]
[2621,"Oc1cnccc1\n\n\n","Oc1cccnc1","Oc1cnccc1","",1,"3-HYDROXYPYRIDINE(1)","109-00-2(1)","1117","High Reliability","-"]
[2622,"O=c1[nH]cccc1\nOc1ccccn1\n\n","O=c1cccc[nH]1","O=C1C=CC=CN1","",1,"2-HYDROXYPYRIDINE(1)","142-08-5(1)","1577","High Reliability","-"]
[2623,"[O-][n+]1ccccc1\n\n\n","[O-][n+]1ccccc1","[O-][n+]1ccccc1","",1,"PYRIDINE, 1-OXIDE(1)","694-59-7(1)","2639","High Reliability","-"]
[2624,"Oc1cc(O)ncc1\nOc1cc(=O)cc[nH]1\n\n","Oc1ccnc(c1)O","Oc1nccc(O)c1","",1,"2,4-Dihydroxypyridine(1)","626-03-9(1)","2525","High Reliability","-"]
[2625,"C1C=CC=C1\n\n\n","C1C=CC=C1","C=1C=CCC=1","",1,"CYCLOPENTADIENE(1)","542-92-7(1)","2095","High Reliability","-"]
[2626,"CC1(C)N(Cl)C(=O)N(Cl)C1=O\n\n\n","ClN1C(=O)N(C(C1=O)(C)C)Cl","O=C1N(C(=O)C(N1Cl)(C)C)Cl","",1,"1,3-DICHLORO-5,5-DIMETHYLHYDANTOIN(1)","118-52-5(1)","1320","High Reliability","-"]
[2627,"Cc1nccnc1\n\n\n","Cc1cnccn1","n1ccnc(c1)C","",1,"2-METHYLPYRAZINE(1)","109-08-0(1)","1122","High Reliability","-"]
[2628,"N#CCCCC#N\n\n\n","N#CCCCC#N","N#CCCCC#N","",1,"PENTANEDINITRILE(1)","544-13-8(1)","2108","High Reliability","-"]
[2629,"Nc1ccncc1\n\n\n","Nc1ccncc1","n1ccc(N)cc1","",1,"4-AMINOPYRIDINE(1)","504-24-5(1)","1927","High Reliability","-"]
[2630,"Nc1cnccc1\n\n\n","Nc1cccnc1","n1cccc(N)c1","",1,"3-AMINOPYRIDINE(1)","462-08-8(1)","1808","High Reliability","-"]
[2631,"Nc1ccccn1\n\n\n","Nc1ccccn1","n1ccccc1N","",1,"2-AMINOPYRIDINE(1)","504-29-0(1)","1928","High Reliability","-"]
[2632,"Cc1cc(=O)[nH]c(=O)[nH]1\n\n\n","Cc1cc(=O)[nH]c(=O)[nH]1","O=C1C=C(NC(=O)N1)C","",1,"24pyrimidinedione6methyl(1)","626-48-2(1)","2529","Medium Reliability","Name verified in PubChem"]
[2633,"Cc1c[nH]c(=O)[nH]c1=O\n\n\n","Cc1c[nH]c(=O)[nH]c1=O","O=C1NC=C(C(=O)N1)C","",1,"5-METHYLURACIL(1)","65-71-4(1)","237","High Reliability","-"]
[2634,"Cn1ccc(=O)[nH]c1=O\n\n\n","Cn1ccc(=O)[nH]c1=O","O=C1C=CN(C(=O)N1)C","",1,"1-METHYLURACIL(1)","615-77-0(1)","2440","High Reliability","-"]
[2635,"OC(=O)C=CC(O)=NC(O)=N\nNC(=O)NC(=O)C=CC(O)=O\n\n","OC(=O)C=CC(=NC(=N)O)O","O=C(O)C=CC(O)=NC(=N)O","",1,"2-Butenoic acid, 4-[(aminocarbonyl)amino]-4-oxo-(1)","502-45-4(1)","1919","Medium Reliability","-"]
[2636,"OC(=O)CC1N=C(O)N=C1O\nOC(=O)CC1NC(=O)NC1=O\n\n","OC(=O)CC1N=C(N=C1O)O","O=C(O)CC1N=C(O)N=C1(O)","",1,"(2,5-dioxoimidazolidin-4-yl)acetic acid(1)","5427-26-9(1)","3608","High Reliability","-"]
[2637,"Cc1cc(=O)[nH]c(=S)[nH]1\n\n\n","Cc1cc(=O)[nH]c(=S)[nH]1","O=C1C=C(NC(N1)=S)C","",1,"METACIL(1)","56-04-2(1)","88","High Reliability","-"]
[2638,"NNC(=O)c1cccs1\n\n\n","NNC(=O)c1cccs1","O=C(NN)c1cccs1","",1,"2-Thiophenecarboxylic acid, hydrazide(1)","2361-27-5(1)","3174","High Reliability","-"]
[2639,"CSc1ncccn1\n\n\n","CSc1ncccn1","n1cccnc1SC","",1,"PYRIMIDINE, 2-(METHYLTHIO)-(1)","823-09-6(1)","2703","Medium Reliability","-"]
[2640,"Cc1ccco1\n\n\n","Cc1ccco1","o1cccc1C","",1,"2-METHYLFURAN(1)","534-22-5(1)","2031","High Reliability","-"]
[2641,"CC1=CCC(=O)O1\nCC1OC(=O)C=C1\n\n","O=C1CC=C(O1)C","O=C1OC(=CC1)C","",2,"2(3H)-Furanone, 5-methyl-(1), Angelica Lactone(1)","591-12-8(1), 1333-38-6(1)","2297, 2893","High Reliability","Checked on PubChem, Checked on ChemID"]
[2642,"C=C1CCOC1=O\n\n\n","C=C1CCOC1=O","O=C1OCCC1(=C)","",1,"alpha-METHYLENE BUTYROLACTONE(1)","547-65-9(1)","2115","High Reliability","-"]
[2643,"OCc1ccco1\n\n\n","OCc1ccco1","OCc1occc1","",1,"2-HYDROXYMETHYLFURAN(1)","98-00-0(1)","807","High Reliability","-"]
[2644,"CC(=O)C=CC(O)=O\n\n\n","CC(=O)C=CC(=O)O","O=C(O)C=CC(=O)C","",1,"4-Oxo-pent-2-enoic acid(1)","2833-21-8(1)","3290","Medium Reliability","-"]
[2645,"OC(=O)CC(=C)C(O)=O\nCC(=CC(O)=O)C(O)=O\n\n","OC(=O)C=C(C(=O)O)C","O=C(O)C=C(C(=O)O)C","",3,"Butanedioic acid, methylene-(1), 2-Butenedioic acid, 2-methyl-, (E)-(1), Citraconic acid(1)","97-65-4(1), 498-24-8(1), 498-23-7(1)","801, 1903, 1902","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2646,"CC(=O)CC(=O)C(O)=O\n\n\n","CC(=O)CC(=O)C(=O)O","O=C(O)C(=O)CC(=O)C","",1,"Acetylpyruvic acid(1)","5699-58-1(1)","3656","High Reliability","-"]
[2647,"Cc1cscc1\n\n\n","Cc1cscc1","c1cscc1C","",1,"3-METHYLTHIOPHENE(1)","616-44-4(1)","2445","High Reliability","-"]
[2648,"Cc1c(N)[nH]c(=O)nc1\nCc1c[nH]c(=O)nc1N\n\n","Cc1cnc(=O)[nH]c1N","O=C1N=CC(=C(N)N1)C","",1,"5-Methylcytosine(1)","554-01-8(1)","2140","High Reliability","-"]
[2649,"Nc1ncc(cc1)S(N)(=O)=O\n\n\n","Nc1ccc(cn1)S(=O)(=O)N","O=S(=O)(N)c1cnc(N)cc1","",1,"3-Pyridinesulfonamide, 6-amino-(1)","57187-73-2(1)","4942","Medium Reliability","-"]
[2650,"NCc1ccco1\n\n\n","NCc1ccco1","o1cccc1CN","",1,"2-AMINOMETHYLFURAN(1)","617-89-0(1)","2460","High Reliability","-"]
[2651,"CCOC(=O)CC#N\n\n\n","CCOC(=O)CC#N","N#CCC(=O)OCC","",1,"ETHYL CYANOACETATE(1)","105-56-6(1)","976","High Reliability","-"]
[2652,"CC(OC(C)=O)C#N\n\n\n","CC(C#N)OC(=O)C","N#CC(OC(=O)C)C","",1,"Propanenitrile, 2-(acetyloxy)-(1)","15657-96-2(1)","4075","High Reliability","-"]
[2653,"OC(=O)C1CCC(=O)N1\n\n\n","O=C1CCC(N1)C(=O)O","O=C(O)C1NC(=O)CC1","",1,"L-Proline, 5-oxo-(1)","98-79-3(1)","823","High Reliability","Stereochemistry removed"]
[2654,"C=CCCN=C=S\n\n\n","C=CCCN=C=S","C(=NCCC=C)=S","",1,"1-Butene, 4-isothiocyanato-(1)","3386-97-8(1)","3375","High Reliability","-"]
[2655,"C1CC=CC1\n\n\n","C1CC=CC1","C1=CCCC1","",1,"CYCLOPENTENE(1)","142-29-0(1)","1580","High Reliability","-"]
[2656,"C=CCC=C\nCCCC#C\n\n","C=CCC=C","C=CCC=C","",2,"1,4-PENTADIENE(1), 1-PENTYNE(1)","591-93-5(1), 627-19-0(1)","2310, 2542","Medium Reliability, High Reliability","-"]
[2657,"CC(=C)C=C\n\n\n","C=CC(=C)C","C=CC(=C)C","",1,"2-METHYL-1,3-BUTADIENE(1)","78-79-5(1)","447","High Reliability","-"]
[2658,"BrCC(CBr)(CBr)CBr\n\n\n","BrCC(CBr)(CBr)CBr","C(C(CBr)(CBr)CBr)Br","",1,"PROPANE, 1,3-DIBROMO-2,2-BIS(BROMOMETHYL)-(1)","3229-00-3(1)","3354","High Reliability","-"]
[2659,"CCNc1nc(N)nc(Cl)n1\n\n\n","CCNc1nc(N)nc(n1)Cl","n1c(nc(nc1NCC)Cl)N","",1,"DESISOPROPYLATRAZINE(1)","1007-28-9(1)","2795","Medium Reliability","-"]
[2660,"CC1N=C(O)CN=C1O\nCC1NC(=O)CNC1=O\n\n","OC1=NC(C(=NC1)O)C","OC1=NC(C(O)=NC1)C","",1,"Piperazine-2,5-dione, 3-methyl-(1)","4526-77-6(1)","3506","High Reliability","-"]
[2661,"CC1(C)NC(=O)NC1=O\n\n\n","O=C1NC(=O)C(N1)(C)C","O=C1NC(=O)C(N1)(C)C","",1,"2,4-IMIDAZOLIDINEDIONE, 5,5-DIMETHYL-(1)","77-71-4(1)","420","High Reliability","-"]
[2662,"OC(=O)CNCCC#N\n\n\n","N#CCCNCC(=O)O","N#CCCNCC(=O)O","",1,"Glycine, N-(2-cyanoethyl)-(1)","3088-42-4(1)","3327","High Reliability","-"]
[2663,"ON=C1CCCC1=NO\nONC1=C(CCC1)N=O\n\n","ON=C1CCCC1=NO","ON=C1C(=NO)CCC1","",1,"1,2-Cyclopentanedione, dioxime(1)","6635-29-6(1)","3771","Medium Reliability","Checked on PubChem"]
[2664,"CC(=O)NC(=O)NC(C)=O\n\n\n","O=C(NC(=O)C)NC(=O)C","O=C(NC(=O)C)NC(=O)C","",1,"1,3-DIACETYLUREA(1)","638-20-0(1)","2602","Medium Reliability","-"]
[2665,"Cc1nnc(N)nc1C\n\n\n","Nc1nnc(c(n1)C)C","n1nc(c(nc1N)C)C","",1,"1,2,4-Triazin-3-amine, 5,6-dimethyl-(1)","17584-12-2(1)","4159","High Reliability","-"]
[2666,"[O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O\nOCC(CO)(CO)CO.O[N+]([O-])=O.O[N+]([O-])=O.O[N+]([O-])=O.O[N+]([O-])=O\n\n","[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","",1,"pentaerythritoltetranitrate(1)","78-11-5(1)","431","High Reliability","Name verified in PubChem"]
[2667,"Cn1nc(sc1=NC(C)=O)S(N)(=O)=O\n\n\n","CC(=O)N=c1sc(nn1C)S(=O)(=O)N","O=C(N=C1N(N=C(S1)S(=O)(=O)N)C)C","",1,"METHAZOLAMIDE(1)","554-57-4(1)","2142","High Reliability","-"]
[2668,"C=COC1CC1\n\n\n","C=COC1CC1","O(C=C)C1CC1","",1,"CYCLOPROPYL VINYL ETHER(1)","16545-67-8(1)","4105","High Reliability","-"]
[2669,"CC=C(C)C=O\n\n\n","CC=C(C=O)C","O=CC(=CC)C","",1,"2-Butenal, 2-methyl-, (E)-(1)","497-03-0(1)","1894","High Reliability","Stereochemistry removed"]
[2670,"CC(C)(O)C#C\n\n\n","C#CC(O)(C)C","C#CC(O)(C)C","",1,"2-METHYL-3-BUTYN-2-OL(1)","115-19-5(1)","1274","High Reliability","-"]
[2671,"CCC=CC(O)=O\n\n\n","CCC=CC(=O)O","O=C(O)C=CCC","",1,"2-Pentenoic acid(1)","626-98-2(1)","2536","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2672,"CC(=O)OCC=C\n\n\n","CC(=O)OCC=C","O=C(OCC=C)C","",1,"ALLYL ACETATE(1)","591-87-7(1)","2309","High Reliability","-"]
[2673,"CCOC(=O)C=C\n\n\n","CCOC(=O)C=C","O=C(OCC)C=C","",1,"ETHYL ACRYLATE(1)","140-88-5(1)","1559","High Reliability","-"]
[2674,"CCC(=O)C(C)=O\n\n\n","CCC(=O)C(=O)C","O=C(C(=O)CC)C","",1,"2,3-Pentanedione(1)","600-14-6(1)","2362","High Reliability","-"]
[2675,"COC(=O)C(C)=C\n\n\n","COC(=O)C(=C)C","O=C(OC)C(=C)C","",1,"METHYL METHACRYLATE(1)","80-62-6(1)","498","High Reliability","-"]
[2676,"CC(=O)CC(C)=O\n\n\n","CC(=O)CC(=O)C","O=C(C)CC(=O)C","",1,"2,4-PENTANEDIONE(1)","123-54-6(1)","1419","High Reliability","-"]
[2677,"CC(=O)C1(C)CO1\n\n\n","CC(=O)C1(C)CO1","O=C(C)C1(OC1)(C)","",1,"ETHANONE, 1-(2-METHYLOXIRANYL)-(1)","4587-00-2(1)","3513","High Reliability","-"]
[2678,"OCCOC(=O)C=C\n\n\n","OCCOC(=O)C=C","O=C(OCCO)C=C","",1,"2-HYDROXYETHYL ACRYLATE(1)","818-61-1(1)","2696","High Reliability","-"]
[2679,"COC(=O)CC(C)=O\n\n\n","COC(=O)CC(=O)C","O=C(OC)CC(=O)C","",1,"METHYL ACETOACETATE(1)","105-45-3(1)","971","High Reliability","-"]
[2680,"CCC(C(O)=O)C(O)=O\n\n\n","CCC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)CC","",1,"ETHYLMALONIC ACID(1)","601-75-2(1)","2365","High Reliability","-"]
[2681,"CC(CC(O)=O)C(O)=O\n\n\n","OC(=O)CC(C(=O)O)C","O=C(O)CC(C(=O)O)C","",3,"METHYLSUCCINIC ACID(1), Butanedioic acid, methyl-, (R)-(1), butanedioicacid,methyl-,(.+-.)-(1)","498-21-5(1), 3641-51-8(1), 636-60-2(1)","1901, 3406, 2594","High Reliability","Stereochemistry removed, Manual Check passed"]
[2682,"CC(C)(C(O)=O)C(O)=O\n\n\n","OC(=O)C(C(=O)O)(C)C","O=C(O)C(C(=O)O)(C)C","",1,"DIMETHYLMALONIC ACID(1)","595-46-0(1)","2333","High Reliability","-"]
[2683,"OC(=O)CCCC(O)=O\n\n\n","OC(=O)CCCC(=O)O","O=C(O)CCCC(=O)O","",1,"PENTANEDIOC ACID(1)","110-94-1(1)","1199","Medium Reliability","-"]
[2684,"CC(C)C(Br)C(O)=O\n\n\n","BrC(C(=O)O)C(C)C","O=C(O)C(C(C)C)Br","",1,"2-BROMO-3-METHYL-BUTANOIC ACID(1)","565-74-2(1)","2195","High Reliability","-"]
[2685,"CCN1CC(=O)N=C1N\n\n\n","CCN1CC(=O)N=C1N","O=C1N=C(N)N(C1)CC","",1,"4H-Imidazol-4-one, 2-amino-1-ethyl-1,5-dihydro-(1)","76146-27-5(1)","5219","High Reliability","-"]
[2686,"OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O\n\n\n","OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]","",1,"Pentrinitrol(1)","1607-17-6(1)","2941","High Reliability","-"]
[2687,"OC(=N)CC(NC(O)=N)C(O)=O\n\n\n","OC(=N)CC(C(=O)O)NC(=N)O","O=C(O)C(NC(=N)O)CC(=N)O","",1,"L-Asparagine, N2-(aminocarbonyl)-(1)","3130-86-7(1)","3332","Medium Reliability","Stereochemistry removed"]
[2688,"NC(=O)NCC(=O)NCC(O)=O\n\n\n","O=C(CNC(=O)N)NCC(=O)O","O=C(N)NCC(=O)NCC(=O)O","",1,"Glycine, N-[N-(aminocarbonyl)glycyl]-(1)","17303-54-7(1)","4149","Medium Reliability","Checked on PubChem"]
[2689,"CC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O\nCC(CO)(CO)CO.O[N+]([O-])=O.O[N+]([O-])=O.O[N+]([O-])=O\n\n","CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(C)(CO[N+](=O)[O-])CO[N+](=O)[O-]","",1,"trimethylolethanetrinitrate(1)","3032-55-1(1)","3316","High Reliability","Name verified in PubChem"]
[2690,"CCNc1ncnc(N)n1\n\n\n","CCNc1ncnc(n1)N","n1cnc(nc1N)NCC","",1,"1,3,5-Triazine-2,4-diamine, N-ethyl-(1)","30368-49-1(1)","4502","Medium Reliability","Checked on PubChem"]
[2691,"CNc1ncnc(NC)n1\n\n\n","CNc1ncnc(n1)NC","n1cnc(nc1NC)NC","",1,"1,3,5-Triazine-2,4-diamine, N,N'-dimethyl-(1)","30368-50-4(1)","4503","Medium Reliability","Checked on PubChem"]
[2692,"CC(C)C(O)C#N\n\n\n","OC(C(C)C)C#N","N#CC(O)C(C)C","",1,"Butanenitrile, 2-hydroxy-3-methyl-, (R)-(1)","10021-64-4(1)","3894","Medium Reliability","Stereochemistry removed"]
[2693,"CN1CCCC1=O\n\n\n","O=C1CCCN1C","O=C1N(C)CCC1","",1,"N-METHYLPYRROLIDONE(1)","872-50-4(1)","2724","High Reliability","-"]
[2694,"CCC(=O)NC(C)=O\n\n\n","CCC(=O)NC(=O)C","O=C(NC(=O)CC)C","",1,"Propanamide, N-acetyl-(1)","19264-34-7(1)","4220","Medium Reliability","-"]
[2695,"OC(=O)C1CCCN1\n\n\n","OC(=O)C1CCCN1","O=C(O)C1NCCC1","",1,"PROLINE(1)","147-85-3(1)","1612","High Reliability","Stereochemistry removed"]
[2696,"CS(=O)(=O)CCCN=C=S\n\n\n","S=C=NCCCS(=O)(=O)C","O=S(=O)(C)CCCN=C=S","",1,"Propane, 1-isothiocyanato-3-(methylsulfonyl)-(1)","505-34-0(1)","1930","High Reliability","-"]
[2697,"CCSC(=S)NCC(O)=O\n\n\n","CCSC(=S)NCC(=O)O","O=C(O)CNC(=S)SCC","",1,"Glycine, N-[(ethylthio)thioxomethyl]-(1)","4596-56-9(1)","3514","Medium Reliability","-"]
[2698,"CCC(N=CO)C(O)=O\nCCC(NC=O)C(O)=O\n\n","CCC(C(=O)O)N=CO","O=C(O)C(N=CO)CC","",1,"Butanoic acid, 2-(formylamino)-(1)","106873-99-8(1)","5530","Medium Reliability","-"]
[2699,"OC1CNC(C1)C(O)=O\n\n\n","OC1CNC(C1)C(=O)O","O=C(O)C1NCC(O)C1","",1,"HYDROXYPROLINE(1)","51-35-4(1)","44","Medium Reliability","Stereochemistry removed"]
[2700,"CNC(CC(O)=O)C(O)=O\n\n\n","CNC(C(=O)O)CC(=O)O","O=C(O)CC(NC)C(=O)O","",1,"L-Aspartic acid, N-methyl-(1)","4226-18-0(1)","3473","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2701,"NC(CCC(O)=O)C(O)=O\nCl.NC(CCC(O)=O)C(O)=O\n[H+].[Cl-].NC(CCC(O)=O)C(O)=O\n[Na+].NC(CCC(O)=O)C([O-])=O","OC(=O)CCC(C(=O)O)N","O=C(O)CCC(N)C(=O)O","",6,"GLUTAMIC ACID(1), GLUTAMIC ACID HYDROCHLORIDE(1), MONOSODIUM L-GLUTAMATE(1), GLUTAMIC ACID (DL)(1), D-Glutamic acid(1), Glutamic acid(1)","56-86-0(1), 138-15-8(1), 142-47-2(1), 617-65-2(1), 6893-26-1(1), 6899-05-4(1)","111, 1536, 1582, 2458, 3790, 3792","Medium Reliability, High Reliability","Differences in counterions, Stereochemistry removed"]
[2702,"OC(=O)CCNCC(O)=O\n\n\n","OC(=O)CNCCC(=O)O","O=C(O)CNCCC(=O)O","",1,".beta.-Alanine, N-(carboxymethyl)-(1)","505-72-6(1)","1935","Medium Reliability","Checked on PubChem"]
[2703,"OC(=O)c1c(Cl)c(Cl)c(Cl)o1\n\n\n","OC(=O)c1oc(c(c1Cl)Cl)Cl","O=C(O)c1oc(c(c1Cl)Cl)Cl","",1,"2-Furoic acid, 3,4,5-trichloro-(1)","32417-81-5(1)","4531","Medium Reliability","-"]
[2704,"Brc1c(Br)c(Br)c(Br)c(Br)c1Br\n\n\n","Brc1c(Br)c(Br)c(c(c1Br)Br)Br","c1(c(c(c(c(c1Br)Br)Br)Br)Br)Br","",1,"HEXABROMOBENZENE(1)","87-82-1(1)","599","High Reliability","-"]
[2705,"ClC1=C(Cl)C(=O)C(Cl)=C(Cl)C1=O\n\n\n","ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl","O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl","",1,"CHLORANIL(1)","118-75-2(1)","1324","High Reliability","-"]
[2706,"[O-][N+](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl\n\n\n","Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","",1,"PENTACHLORONITROBENZENE(1)","82-68-8(1)","516","High Reliability","-"]
[2707,"Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl\n\n\n","Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl","c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl","",1,"HEXACHLOROBENZENE(1)","118-74-1(1)","1323","High Reliability","-"]
[2708,"C1CCC=CC1\n\n\n","C1CCC=CC1","C1=CCCCC1","",1,"CYCLOHEXENE(1)","110-83-8(1)","1193","High Reliability","-"]
[2709,"C=CCCC=C\nCCCCC#C\nCCC#CCC\n","CCCCC#C","C#CCCCC","",4,"1,5-HEXADIENE(1), 1-HEXYNE(1), 3-Hexyne(1), HEXYNE(1)","592-42-7(1), 693-02-7(1), 928-49-4(1), 26856-30-4(1)","2314, 2635, 2752, 4432","High Reliability","Checked on PubChem, Checked on ChemID"]
[2710,"CC(=C)C(C)=C\n\n\n","CC(=C)C(=C)C","C=C(C(=C)C)C","",1,"2,3-DIMETHYL-1,3-BUTADIENE(1)","513-81-5(1)","1962","High Reliability","-"]
[2711,"CC(C)Nc1nc(Cl)nc(N)n1\n\n\n","CC(Nc1nc(N)nc(n1)Cl)C","n1c(nc(nc1NC(C)C)Cl)N","",1,"DESETHYLATRAZINE(1)","6190-65-4(1)","3712","High Reliability","-"]
[2712,"CC1NC(=O)C(C)NC1=O\n\n\n","CC1NC(=O)C(NC1=O)C","O=C1NC(C(=O)NC1C)C","",1,"3,6-dimethylpiperazine-2,5-dione(1)","5625-46-7(1)","3641","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2713,"CC1(C)N(CO)C(=O)NC1=O\n\n\n","OCN1C(=O)NC(=O)C1(C)C","O=C1NC(=O)C(N1CO)(C)C","",1,"1-(Hydroxymethyl)-5,5-dimethylhydantoin(1)","116-25-6(1)","1299","High Reliability","-"]
[2714,"OCN1CC(=O)N(CO)CC1=O\n\n\n","OCN1CC(=O)N(CC1=O)CO","O=C1N(CO)CC(=O)N(CO)C1","",1,"2,5-Piperazinedione, 1,4-bis(hydroxymethyl)-(1)","7383-56-4(1)","3835","High Reliability","-"]
[2715,"CCC#CC(C)O\n\n\n","CCC#CC(O)C","OC(C#CCC)C","",1,"3-HEXYN-2-OL(1)","109-50-2(1)","1128","High Reliability","-"]
[2716,"CCCC(O)C#C\n\n\n","CCCC(C#C)O","C#CC(O)CCC","",1,"1-HEXYN-3-OL(1)","105-31-7(1)","967","High Reliability","-"]
[2717,"C=CCOCC=C\n\n\n","C=CCOCC=C","O(CC=C)CC=C","",1,"ALLYL ETHER(1)","557-40-4(1)","2167","High Reliability","-"]
[2718,"CCC(C)(O)C#C\nCCC(C)C#CO\n\n","CC(C#C)(CC)O","C#CC(O)(C)CC","",1,"methylpentynol(1)","77-75-8(1)","422","High Reliability","Name verified in PubChem"]
[2719,"CC(C)=CC(C)=O\n\n\n","CC(=CC(=O)C)C","O=C(C=C(C)C)C","",1,"MESITYL OXIDE(1)","141-79-7(1)","1571","High Reliability","-"]
[2720,"O=C1CCCCC1\n\n\n","O=C1CCCCC1","O=C1CCCCC1","",1,"CYCLOHEXANONE(1)","108-94-1(1)","1113","High Reliability","-"]
[2721,"CCC1C(C)OC1=O\n\n\n","CCC1C(C)OC1=O","O=C1OC(C)C1CC","",1,"2-Oxetanone, 3-ethyl-4-methyl-, (3S-trans)-(1)","114592-79-9(1)","5581","Medium Reliability","Stereochemistry removed"]
[2722,"CC(C)=C(C)C(O)=O\n\n\n","CC(=C(C(=O)O)C)C","O=C(O)C(=C(C)C)C","",1,"2-Butenoic acid, 2,3-dimethyl-(1)","4411-97-6(1)","3492","Medium Reliability","-"]
[2723,"CCOC(=O)C(C)=C\n\n\n","CCOC(=O)C(=C)C","O=C(OCC)C(=C)C","",1,"ETHYL METHACRYLATE(1)","97-63-2(1)","799","High Reliability","-"]
[2724,"SC(=O)CCCCC(S)=O\n\n\n","SC(=O)CCCCC(=O)S","O=C(CCCCC(=O)S)S","",1,"Hexanebis(thioic) acid(1)","10604-70-3(1)","3930","High Reliability","-"]
[2725,"CCOC(=S)SSC(=S)OCC\n\n\n","CCOC(=S)SSC(=S)OCC","O(C(=S)SSC(OCC)=S)CC","",1,"BIS(ETHYLXANTHOGEN)(1)","502-55-6(1)","1921","High Reliability","-"]
[2726,"CCOC(=O)C(O)C=C\n\n\n","CCOC(=O)C(C=C)O","O=C(OCC)C(O)C=C","",1,"2-Hydroxy-but-3-enoic acid ethyl ester(1)","91890-87-8(1)","5370","Medium Reliability","-"]
[2727,"CC(O)COC(=O)C=C\n\n\n","CC(COC(=O)C=C)O","O=C(OCC(O)C)C=C","",1,"2-HYDROXYPROPYL ACRYLATE(1)","999-61-1(1)","2789","High Reliability","-"]
[2728,"CCOC(C)C(=O)C=O\n\n\n","CC(C(=O)C=O)OCC","O=CC(=O)C(OCC)C","",1,"Butanal, 3-ethoxy-2-oxo-(1)","3688-37-7(1)","3412","High Reliability","Checked on PubChem, Checked on ChemID"]
[2729,"CCOC(=O)CC(C)=O\n\n\n","CCOC(=O)CC(=O)C","O=C(OCC)CC(=O)C","",1,"ACETOACETIC ESTER(1)","141-97-9(1)","1576","High Reliability","-"]
[2730,"CC(=C)C(=O)OCCO\n\n\n","CC(=C)C(=O)OCCO","O=C(OCCO)C(=C)C","",1,"2-HYDROXYETHYL METHACRYLATE(1)","868-77-9(1)","2720","High Reliability","-"]
[2731,"CCCC(C(O)=O)C(O)=O\n\n\n","CCCC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)CCC","",1,"PROPYLPROPANEDIOIC ACID(1)","616-62-6(1)","2448","High Reliability","-"]
[2732,"CC(C(C)C(O)=O)C(O)=O\nCC(C(C)C([O-])=O)C([O-])=O\n\n","CC(C(C(=O)O)C)C(=O)O","O=C(O)C(C)C(C(=O)O)C","",2,"BUTANEDIOIC ACID, 2,3-DIMETHYL-, (R*,S*)-(1), DL-2,3-Dimethylsuccinic acid(1)","608-40-2(1), 13545-04-5(1)","2394, 3987","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed, Manual Check passed"]
[2733,"CCC(=O)OOC(=O)CC\n\n\n","CCC(=O)OOC(=O)CC","O=C(OOC(=O)CC)CC","",1,"Peroxide, bis(1-oxopropyl)(1)","3248-28-0(1)","3358","High Reliability","-"]
[2734,"CCOC(=O)C(=O)OCC\nCCOC(=O)C([O-])=O\n\n","CCOC(=O)C(=O)OCC","O=C(OCC)C(=O)OCC","",1,"ethyloxalate(1)","95-92-1(1)","760","High Reliability","Name verified in PubChem"]
[2735,"COC(=O)C(C)OC(C)=O\n\n\n","COC(=O)C(OC(=O)C)C","O=C(OC(C(=O)OC)C)C","",1,"Propanoic acid, 2-(acetyloxy)-, methyl ester(1)","6284-75-9(1)","3730","High Reliability","-"]
[2736,"CC(=O)OCCOC(C)=O\nCC(O)=O.CC(O)=O.OCCO\n\n","CC(=O)OCCOC(=O)C","O=C(OCCOC(=O)C)C","",1,"ethyleneglycoldiacetate(1)","111-55-7(1)","1223","High Reliability","Name verified in PubChem"]
[2737,"CC(C)(CC(O)=O)C(O)=O\n\n\n","OC(=O)CC(C(=O)O)(C)C","O=C(O)CC(C(=O)O)(C)C","",1,"Butanedioic acid, 2,2-dimethyl-(1)","597-43-3(1)","2338","High Reliability","-"]
[2738,"COC(=O)CCC(=O)OC\n\n\n","COC(=O)CCC(=O)OC","O=C(OC)CCC(=O)OC","",1,"DIMETHYL SUCCINATE(1)","106-65-0(1)","1009","High Reliability","-"]
[2739,"OC(=O)CCCCC(O)=O\n\n\n","OC(=O)CCCCC(=O)O","O=C(O)CCCCC(=O)O","",1,"HEXANEDIOIC ACID(1)","124-04-9(1)","1436","High Reliability","-"]
[2740,"OC(=O)CCSCCC(O)=O\n\n\n","OC(=O)CCSCCC(=O)O","O=C(O)CCSCCC(=O)O","",1,"Propanoic acid, 3,3'-thiobis-(1)","111-17-1(1)","1208","High Reliability","-"]
[2741,"CC1=C(C)S(=O)(=O)CCS1(=O)=O\n\n\n","CC1=C(C)S(=O)(=O)CCS1(=O)=O","O=S1(=O)(C(=C(C)S(=O)(=O)CC1)C)","",1,"DIMETHIPIN(1)","55290-64-7(1)","4907","High Reliability","-"]
[2742,"OC(=O)CCSSCCC(O)=O\n\n\n","OC(=O)CCSSCCC(=O)O","O=C(O)CCSSCCC(=O)O","",1,"4,5-Dithia-octandioic acid(1)","1119-62-6(1)","2835","Medium Reliability","-"]
[2743,"OC(=O)C(S)CCC(S)C(O)=O\n\n\n","SC(C(=O)O)CCC(C(=O)O)S","O=C(O)C(CCC(C(=O)O)S)S","",1,"Hexanedioic acid, 2,5-dimercapto-(1)","5139-01-5(1)","3566","High Reliability","-"]
[2744,"OCC1OC(=O)C(O)C(O)C1O\n\n\n","OCC1OC(=O)C(C(C1O)O)O","O=C1OC(CO)C(O)C(O)C1(O)","",1,"D-Gluconic acid, .delta.-lactone(1)","90-80-2(1)","659","High Reliability","Stereochemistry removed"]
[2745,"OC(C(O)C(O)C(O)=O)C(O)C(O)=O\n\n\n","OC(C(C(=O)O)O)C(C(C(=O)O)O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","",2,"Galactaric acid(1), L-Altraric acid(1)","526-99-8(1), 117468-79-8(1)","1995, 5614","High Reliability","Stereochemistry removed, Manual Check passed"]
[2746,"C=CCSS(=O)CC=C\n\n\n","C=CCSS(=O)CC=C","O=S(CC=C)SCC=C","",1,"Allicin(1)","539-86-6(1)","2061","High Reliability","-"]
[2747,"BrC1CCCCC1\n\n\n","BrC1CCCCC1","C1CCC(CC1)Br","",1,"BROMOCYCLOHEXANE(1)","108-85-0(1)","1105","High Reliability","-"]
[2748,"CCCC(Br)C(O)=NC(O)=N\nCCCC(Br)C(=O)NC(N)=O\n\n","CCCC(C(=NC(=N)O)O)Br","N=C(O)N=C(O)C(CCC)Br","",1,"Pentanamide, N-(aminocarbonyl)-2-bromo-(1)","66947-87-3(1)","5069","Medium Reliability","-"]
[2749,"ClC1CCCCC1\n\n\n","ClC1CCCCC1","C1CCC(CC1)Cl","",1,"CHLOROCYCLOHEXANE(1)","542-18-7(1)","2089","High Reliability","-"]
[2750,"CCOC(OCC)C(Cl)(Cl)Cl\n\n\n","CCOC(C(Cl)(Cl)Cl)OCC","O(CC)C(OCC)C(Cl)(Cl)Cl","",1,"ETHANE, 1,1,1-TRICHLORO-2,2-DIETHOXY-(1)","599-97-3(1)","2360","High Reliability","-"]
[2751,"CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl\n\n\n","CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC","O(CC)P(OCC)(OC(C(Cl)(Cl)Cl)Cl)=S","",1,"CHLORETHOXYFOS(1)","54593-83-8(1)","4893","High Reliability","-"]
[2752,"C=CCNCC=C\n\n\n","C=CCNCC=C","C=CCNCC=C","",1,"DIALLYLAMINE(1)","124-02-7(1)","1435","High Reliability","-"]
[2753,"CN1CCC=C1C\n\n\n","CC1=CCCN1C","C1=C(N(C)CC1)C","",1,"1H-PYRROLE, 2,3-DIHYDRO-1,5-DIMETHYL-(1)","5370-57-0(1)","3595","Medium Reliability","-"]
[2754,"COc1nn(CSP(=S)(OC)OC)c(=O)s1\n\n\n","COc1sc(=O)n(n1)CSP(=S)(OC)OC","O=C1N(N=C(OC)S1)CSP(OC)(OC)=S","",1,"METHIDATHION(1)","950-37-8(1)","2771","High Reliability","-"]
[2755,"NCC(=O)NCC(=O)NCC(O)=O\n\n\n","NCC(=O)NCC(=O)NCC(=O)O","O=C(O)CNC(=O)CNC(=O)CN","",1,"TRIGLYCINE(1)","556-33-2(1)","2155","Medium Reliability","-"]
[2756,"NC(=O)CC(O)(CC(N)=O)C(N)=O\n\n\n","NC(=O)C(CC(=O)N)(CC(=O)N)O","O=C(N)CC(O)(C(=O)N)CC(=O)N","",1,"1,2,3-Propanetricarboxamide, 2-hydroxy-(1)","597-59-1(1)","2340","High Reliability","-"]
[2757,"NNP(=S)(NN)c1ccccc1\n\n\n","NNP(=S)(c1ccccc1)NN","NNP(NN)(c1ccccc1)=S","",1,"phosphonothioicdihydrazide,p-phenyl-(1)","5395-21-1(1)","3598","Medium Reliability","Name verified in PubChem"]
[2758,"CCCc1nc(N)nc(N)n1\n\n\n","CCCc1nc(N)nc(n1)N","n1c(nc(nc1N)CCC)N","",1,"2,4-DIAMINO-6-PROPYL-S-TRIAZINE(1)","5962-23-2(1)","3683","Medium Reliability","-"]
[2759,"CC(C)c1nc(N)nc(N)n1\n\n\n","CC(c1nc(N)nc(n1)N)C","n1c(nc(nc1N)C(C)C)N","",1,"2,4-DIAMINO-6-ISOPRPYL-S-TRIAZINE(1)","5397-04-6(1)","3599","Medium Reliability","-"]
[2760,"O=C1CCCCCN1\n\n\n","O=C1CCCCCN1","O=C1NCCCCC1","",1,"CAPROLACTAM(1)","105-60-2(1)","980","High Reliability","-"]
[2761,"ON=C1CCCCC1\n\n\n","ON=C1CCCCC1","ON=C1CCCCC1","",1,"CYCLOHEXANONE OXIME(1)","100-64-1(1)","890","High Reliability","-"]
[2762,"CCC(=O)NC(=O)CC\n\n\n","CCC(=O)NC(=O)CC","O=C(NC(=O)CC)CC","",1,"Propanamide, N-(1-oxopropyl)-(1)","6050-26-6(1)","3694","High Reliability","-"]
[2763,"NC1(CCCC1)C(O)=O\n\n\n","OC(=O)C1(N)CCCC1","O=C(O)C1(N)(CCCC1)","",1,"CYCLOLEUCINE(1)","52-52-8(1)","63","High Reliability","-"]
[2764,"CCSC(=S)NC(C)C(O)=O\n\n\n","CC(C(=O)O)NC(=S)SCC","O=C(O)C(NC(=S)SCC)C","",2,"L-Alanine, N-[(ethylthio)thioxomethyl]-(1), DL-Alanine, N-[(ethylthio)thioxomethyl]-(1)","34101-08-1(1), 70561-60-3(1)","4578, 5144","Medium Reliability","Stereochemistry removed, Manual Check passed"]
[2765,"NC(CCCC(O)=O)C(O)=O\n\n\n","OC(=O)CCCC(C(=O)O)N","O=C(O)CCCC(N)C(=O)O","",1,"Hexanedioic acid, 2-amino-(1)","542-32-5(1)","2090","High Reliability","-"]
[2766,"C1CCCCC1\n\n\n","C1CCCCC1","C1CCCCC1","",1,"CYCLOHEXANE(1)","110-82-7(1)","1192","High Reliability","-"]
[2767,"CCCCC=C\n\n\n","CCCCC=C","C=CCCCC","",1,"1-HEXENE(1)","592-41-6(1)","2313","High Reliability","-"]
[2768,"CC(C)CC=C\n\n\n","C=CCC(C)C","C=CCC(C)C","",1,"4-METHYL-1-PENTENE(1)","691-37-2(1)","2634","High Reliability","-"]
[2769,"CC1CCCC1\n\n\n","CC1CCCC1","CC1CCCC1","",1,"METHYLCYCLOPENTANE(1)","96-37-7(1)","776","High Reliability","-"]
[2770,"CCC(Br)(CC)C(N)=O\n\n\n","CCC(C(=O)N)(CC)Br","O=C(N)C(CC)(CC)Br","",1,"Butanamide, 2-bromo-2-ethyl-(1)","511-70-6(1)","1950","High Reliability","-"]
[2771,"ClCCOCCOCCCl\n\n\n","ClCCOCCOCCCl","O(CCOCCCl)CCCl","",1,"1,2-BIS(2-CHLOROETHOXY)ETHANE(1)","112-26-5(1)","1246","High Reliability","-"]
[2772,"OC(CCl)C(O)C(O)C(O)CCl\n\n\n","ClCC(C(C(C(CCl)O)O)O)O","OC(CCl)C(O)C(O)C(O)CCl","",1,"D-Mannitol, 1,6-dichloro-1,6-dideoxy-(1)","7251-85-6(1)","3823","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2773,"ClCCS(=O)(=O)CCS(=O)(=O)CCCl\n\n\n","ClCCS(=O)(=O)CCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCS(=O)(=O)CCCl","",1,"1,2-BIS(2-CHLOROETHYLSULFONYL)ETHANE(1)","3944-87-4(1)","3447","High Reliability","-"]
[2774,"ClCCN(CCCl)CCCl\n[H+].[Cl-].ClCCN(CCCl)CCCl\n\n","ClCCN(CCCl)CCCl","N(CCCl)(CCCl)CCCl","",1,"TRIS(BETA-CHLOROETHYL)AMINE(1)","555-77-1(1)","2150","High Reliability","Differences in counterions"]
[2775,"ClCCOP(=O)(OCCCl)OCCCl\n\n\n","ClCCOP(=O)(OCCCl)OCCCl","O=P(OCCCl)(OCCCl)OCCCl","",1,"TRI-2-CHLOROETHYL PHOSPHATE(1)","115-96-8(1)","1293","Medium Reliability","-"]
[2776,"CCN(CC)C(=O)CCl\n\n\n","CCN(C(=O)CCl)CC","O=C(N(CC)CC)CCl","",1,"CDEA(1)","2315-36-8(1)","3169","Medium Reliability","-"]
[2777,"CCOP(=O)(OCC)OC=CCl\n\n\n","CCOP(=O)(OC=CCl)OCC","O=P(OC=CCl)(OCC)OCC","",1,"2-CHLOROVINYL DIETHYL PHOSPHATE(1)","311-47-7(1)","1718","High Reliability","Stereochemistry removed"]
[2778,"C1CN2CCN1CC2\n\n\n","C1CN2CCN1CC2","N12(CCN(CC1)CC2)","",1,"1,4-DIAZABICYCLO(2,2,2)OCTANE  (DABCO)(1)","280-57-9(1)","1676","Medium Reliability","-"]
[2779,"O=NN1CCCCCC1\n\n\n","O=NN1CCCCCC1","O=NN1CCCCCC1","",1,"N-NITROSOHEXAMETHYLENEIMINE(1)","932-83-2(1)","2754","High Reliability","-"]
[2780,"CCC(=NO)C(CC)=NO\nCCC(NO)=C(CC)N=O\n\n","CCC(=NO)C(=NO)CC","ON=C(C(=NO)CC)CC","",1,"3,4-Hexanedione, dioxime(1)","4437-52-9(1)","3498","High Reliability","Stereochemistry removed"]
[2781,"CC(=O)NCCNC(C)=O\n\n\n","CC(=O)NCCNC(=O)C","O=C(NCCNC(=O)C)C","",1,"Acetamide, N,N'-1,2-ethanediylbis-(1)","871-78-3(1)","2722","High Reliability","-"]
[2782,"CC1CN(CC(C)O1)N=O\n\n\n","CC1OC(C)CN(C1)N=O","O=NN1CC(OC(C)C1)C","",1,"2,6-DIMETHYL-N-NITROSOMORPHOLINE(1)","1456-28-6(1)","2906","High Reliability","-"]
[2783,"NC(=O)CCCCC(N)=O\n\n\n","NC(=O)CCCCC(=O)N","O=C(N)CCCCC(=O)N","",1,"HEXANEDIAMIDE(1)","628-94-4(1)","2559","High Reliability","-"]
[2784,"CC(SC(C)C(N)=O)C(N)=O\n\n\n","CC(C(=O)N)SC(C(=O)N)C","O=C(N)C(C)SC(C(=O)N)C","",1,"Propanamide, 2,2'-thiobis-(1)","6944-30-5(1)","3801","High Reliability","-"]
[2785,"CC(OC(C)C(N)=O)C(N)=O\n\n\n","CC(C(=O)N)OC(C(=O)N)C","O=C(N)C(OC(C(=O)N)C)C","",1,"Propanamide, 2,2'-oxybis-(1)","5460-66-2(1)","3618","High Reliability","-"]
[2786,"CN(C)NC(=O)CCC(O)=O\n\n\n","CN(NC(=O)CCC(=O)O)C","O=C(O)CCC(=O)NN(C)C","",1,"DAMINOZIDE(1)","1596-84-5(1)","2939","High Reliability","-"]
[2787,"OCCNC(=O)C(=O)NCCO\n\n\n","OCCNC(=O)C(=O)NCCO","O=C(NCCO)C(=O)NCCO","",1,"Ethanediamide, N,N'-bis(2-hydroxyethyl)-(1)","1871-89-2(1)","3007","Medium Reliability","-"]
[2788,"NC(CSSCC(N)C(O)=O)C(O)=O\n\n\n","NC(C(=O)O)CSSCC(C(=O)O)N","O=C(O)C(N)CSSCC(N)C(=O)O","",1,"CYSTINE(1)","56-89-3(1)","113","Medium Reliability","Stereochemistry removed"]
[2789,"NC(CO)C(=O)NC(CO)C(O)=O\n\n\n","OCC(C(=O)NC(C(=O)O)CO)N","O=C(O)C(NC(=O)C(N)CO)CO","",1,"L-Serine, N-L-seryl-(1)","6620-95-7(1)","3769","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2790,"[O-][N+](=O)OCCOCCOCCO[N+]([O-])=O\nOCCOCCOCCO.O[N+]([O-])=O.O[N+]([O-])=O\n\n","[O-][N+](=O)OCCOCCOCCO[N+](=O)[O-]","O=[N+]([O-])OCCOCCOCCO[N+](=O)[O-]","",1,"triethyleneglycol,dinitrate(1)","111-22-8(1)","1210","Medium Reliability","Name verified in PubChem"]
[2791,"S=P(N1CC1)(N2CC2)N3CC3\n\n\n","S=P(N1CC1)(N1CC1)N1CC1","N1(CC1)P(N2CC2)(N3CC3)=S","",1,"THIOTEPA(1)","52-24-4(1)","58","High Reliability","-"]
[2792,"C1N2CN3CN1CN(C2)C3\n\n\n","C1N2CN3CN1CN(C2)C3","N12(CN3CN(C1)CN(C2)C3)","",1,"HEXAMETHYLENETETRAMINE(1)","100-97-0(1)","902","High Reliability","-"]
[2793,"COP(=S)(OC)SCc1nc(N)nc(N)n1\n\n\n","COP(=S)(SCc1nc(N)nc(n1)N)OC","n1c(nc(nc1N)CSP(OC)(OC)=S)N","",1,"MENAZON(1)","78-57-9(1)","439","High Reliability","-"]
[2794,"CCOP(=O)(OCC)N=C1SCS1\n\n\n","CCOP(=O)(N=C1SCS1)OCC","O=P(N=C1SCS1)(OCC)OCC","",1,"FOSTHIETAN(1)","21548-32-3(1)","4295","High Reliability","-"]
[2795,"COP(=S)(OC)SCC(=O)N(C)C=O\n\n\n","COP(=S)(SCC(=O)N(C=O)C)OC","O=CN(C(=O)CSP(OC)(OC)=S)C","",1,"FORMOTHION(1)","2540-82-1(1)","3233","High Reliability","-"]
[2796,"CCCCCC=O\n\n\n","CCCCCC=O","O=CCCCCC","",1,"HEXANAL(1)","66-25-1(1)","243","High Reliability","-"]
[2797,"CCCCC(C)=O\n\n\n","CCCCC(=O)C","O=C(C)CCCC","",1,"2-HEXANONE(1)","591-78-6(1)","2307","High Reliability","-"]
[2798,"CCCC(C)C=O\n\n\n","CC(C=O)CCC","O=CC(C)CCC","",1,"2-METHYLPENTALDEHYDE(1)","123-15-9(1)","1406","High Reliability","-"]
[2799,"CCCC(=O)CC\nCCCC(O)C=C\nCCC(O)C=CC\n","CCCC(C=C)O","OC(C=C)CCC","",4,"3-HEXANONE(1), 1-HEXEN-3-OL(1), 2-HEXENE-4-OL(1), 1-hexen-3-ol,(.+-.)-(1)","589-38-8(1), 4798-44-1(1), 4798-58-7(1), 67928-93-2(1)","2273, 3539, 3541, 5093","High Reliability","Stereochemistry removed, Manual Check passed"]
[2800,"CCCCOC=C\n\n\n","CCCCOC=C","O(C=C)CCCC","",1,"BUTYL VINYL ETHER(1)","111-34-2(1)","1214","High Reliability","-"]
[2801,"CCC(C)C(C)=O\n\n\n","CCC(C(=O)C)C","O=C(C)C(C)CC","",1,"3-METHYLPENTAN-2-ONE(1)","565-61-7(1)","2191","High Reliability","-"]
[2802,"CCC(=O)C(C)C\nCC(C)C(O)C=C\n\n","CCC(=O)C(C)C","O=C(CC)C(C)C","",2,"2-METHYL-3-PENTANONE(1), 4-METHYL-1-PENTEN-3-OL(1)","565-69-5(1), 4798-45-2(1)","2193, 3540","High Reliability","-"]
[2803,"CC(C)COC=C\n\n\n","C=COCC(C)C","O(C=C)CC(C)C","",1,"ISOBUTYL VINYL ETHER(1)","109-53-5(1)","1130","High Reliability","-"]
[2804,"CC(C)CC(C)=O\n\n\n","CC(CC(=O)C)C","O=C(C)CC(C)C","",1,"4-METHYL-2-PENTANONE(1)","108-10-1(1)","1068","High Reliability","-"]
[2805,"CC(=C)C(C)(C)O\n\n\n","CC(=C)C(O)(C)C","OC(C(=C)C)(C)C","",1,"3-Buten-2-ol, 2,3-dimethyl-(1)","10473-13-9(1)","3925","High Reliability","-"]
[2806,"CC(=O)C(C)(C)C\n\n\n","CC(=O)C(C)(C)C","O=C(C)C(C)(C)C","",1,"3,3-DIMETHYL-2-BUTANONE(1)","75-97-8(1)","376","High Reliability","-"]
[2807,"CC1CCC(C)O1\n\n\n","CC1CCC(O1)C","O1C(C)CCC1C","",1,"2,5-Dimethyltetrahydrofuran(1)","1003-38-9(1)","2792","High Reliability","-"]
[2808,"OC1CCCCC1\n\n\n","OC1CCCCC1","OC1CCCCC1","",1,"CYCLOHEXANOL(1)","108-93-0(1)","1112","High Reliability","-"]
[2809,"CCCCCC(O)=O\n\n\n","CCCCCC(=O)O","O=C(O)CCCCC","",1,"HEXANOIC ACID(1)","142-62-1(1)","1584","High Reliability","-"]
[2810,"CCC1CCC(O)O1\n\n\n","CCC1CCC(O1)O","OC1OC(CC)CC1","",1,"2-FURANOL, 5-ETHYLTETRAHYDRO-(1)","30414-44-9(1)","4504","Medium Reliability","-"]
[2811,"CCCC(C)C(O)=O\n\n\n","CC(C(=O)O)CCC","O=C(O)C(C)CCC","",1,"PENTANOIC ACID, 2-METHYL-(1)","97-61-0(1)","798","High Reliability","-"]
[2812,"CCCCC(=O)OC\n\n\n","CCCCC(=O)OC","O=C(OC)CCCC","",1,"METHYL VALERATE(1)","624-24-8(1)","2503","High Reliability","-"]
[2813,"CCCCOC(C)=O\n\n\n","CCCCOC(=O)C","O=C(OCCCC)C","",1,"N-BUTYL ACETATE(1)","123-86-4(1)","1428","High Reliability","-"]
[2814,"CCC(CC)C(O)=O\n\n\n","CCC(C(=O)O)CC","O=C(O)C(CC)CC","",1,"2-ETHYLBUTYRIC ACID(1)","88-09-5(1)","608","High Reliability","-"]
[2815,"CCCC(=O)OCC\n\n\n","CCCC(=O)OCC","O=C(OCC)CCC","",1,"ETHYLBUTYRATE(1)","105-54-4(1)","974","High Reliability","-"]
[2816,"CCCOC(=O)CC\n\n\n","CCCOC(=O)CC","O=C(OCCC)CC","",1,"N-PROPYLPROPIONATE(1)","106-36-5(1)","992","Medium Reliability","-"]
[2817,"CCC(C)OC(C)=O\n\n\n","CCC(OC(=O)C)C","O=C(OC(C)CC)C","",1,"S-BUTYLACETATE(1)","105-46-4(1)","972","Medium Reliability","-"]
[2818,"CCC(=O)OC(C)C\n\n\n","CCC(=O)OC(C)C","O=C(OC(C)C)CC","",1,"ISOPROPYL PROPIONATE(1)","637-78-5(1)","2598","High Reliability","-"]
[2819,"CC(C)C1OCCO1\n\n\n","CC(C1OCCO1)C","O1CCOC1C(C)C","",1,"1,3-DIOXOLANE, 2-(1-METHYLETHYL)-(1)","822-83-3(1)","2702","High Reliability","-"]
[2820,"CC(=O)CC(C)(C)O\n\n\n","CC(=O)CC(O)(C)C","O=C(C)CC(O)(C)C","",1,"4-HYDROXY-4-METHYL-2-PENTANONE(1)","123-42-2(1)","1417","High Reliability","-"]
[2821,"CC(=O)OC(C)(C)C\n\n\n","CC(=O)OC(C)(C)C","O=C(OC(C)(C)C)C","",1,"T-BUTYL ACETATE(1)","540-88-5(1)","2074","High Reliability","-"]
[2822,"CC1COC(C)(C)O1\n\n\n","CC1COC(O1)(C)C","O1CC(OC1(C)C)C","",1,"1,3-DIOXOLANE, 2,2,4-TRIMETHYL-(1)","1193-11-9(1)","2865","High Reliability","Checked on PubChem, Checked on ChemID"]
[2823,"CC(C)CCOC=O\n\n\n","O=COCCC(C)C","O=COCCC(C)C","",1,"ISOAMYL FORMATE(1)","110-45-2(1)","1173","High Reliability","-"]
[2824,"CC(O)CCCC=O\n\n\n","O=CCCCC(O)C","O=CCCCC(O)C","",1,"Hexanal, 5-hydroxy-, (R)-(1)","123411-56-3(1)","5650","Medium Reliability","Stereochemistry removed"]
[2825,"COCCCCC=O\n\n\n","COCCCCC=O","O=CCCCCOC","",1,"Pentanal, 5-methoxy-(1)","84629-00-5(1)","5302","Medium Reliability","-"]
[2826,"OCC1CCCCO1\n\n\n","OCC1CCCCO1","OCC1OCCCC1","",1,"TETRAHYDROPYRAN-2-METHANOL(1)","100-72-1(1)","896","High Reliability","Checked on PubChem, Checked on ChemID"]
[2827,"OCC(CO)OCC=C\n\n\n","OCC(OCC=C)CO","OCC(OCC=C)CO","",1,"1,3-Propanediol, 2-(2-propenyloxy)-(1)","6806-76-4(1)","3782","Medium Reliability","Checked on PubChem, Checked on ChemID"]
[2828,"CCC(O)(CC)C(O)=O\nCCC(O)(CC)C([O-])=O\n\n","CCC(C(=O)O)(CC)O","O=C(O)C(O)(CC)CC","",1,"Butanoic acid, 2-ethyl-2-hydroxy-(1)","3639-21-2(1)","3405","High Reliability","-"]
[2829,"CCOCCOC(C)=O\nCCOC(C)CC([O-])=O\n\n","CCOCCOC(=O)C","O=C(OCCOCC)C","",1,"ethoxyethylacetate(1)","111-15-9(1)","1206","High Reliability","Name verified in PubChem"]
[2830,"CCOCCC(=O)OC\n\n\n","CCOCCC(=O)OC","O=C(OC)CCOCC","",1,"Propanoic acid, 3-ethoxy-, methyl ester(1)","14144-33-3(1)","4010","Medium Reliability","-"]
[2831,"CC1OC(C)OC(C)O1\n\n\n","CC1OC(C)OC(O1)C","O1C(OC(OC1C)C)C","",1,"PARALDEHYDE(1)","123-63-7(1)","1421","High Reliability","-"]
[2832,"COCC(C)OC(C)=O\n\n\n","COCC(OC(=O)C)C","O=C(OC(C)COC)C","",1,"PROPYLENE GLYCOL ME ETHER ACETATE(1)","108-65-6(1)","1094","Medium Reliability","-"]
[2833,"OCC1CCC(CO)O1\n\n\n","OCC1CCC(O1)CO","OCC1OC(CO)CC1","",1,"2,5-Tetrahydrofurandimethanol(1)","104-80-3(1)","959","High Reliability","Checked on PubChem, Checked on ChemID"]
[2834,"OC1CC(O)C(O)C(O)C1O\n\n\n","OC1CC(O)C(C(C1O)O)O","OC1CC(O)C(O)C(O)C1(O)","",1,"d-Quercitol(1)","488-73-3(1)","1870","High Reliability","Stereochemistry removed"]
[2835,"OC1C(O)C(O)C(O)C(O)C1O\n\n\n","OC1C(O)C(O)C(C(C1O)O)O","OC1C(O)C(O)C(O)C(O)C1(O)","",2,"INOSITOL(1), Scyllitol(1)","87-89-8(1), 488-59-5(1)","603, 1869","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2836,"OCC1OC(O)C(O)C(O)C1O\nOCC1OC(O)C(O)C(O)C1O\nOCC(O)C(O)C(O)C(O)C=O\n","OCC1OC(O)C(C(C1O)O)O","OCC1OC(O)C(O)C(O)C1(O)","",3,"alpha-D-Glucose(1), GALACTOSE(1), D-MANNOSE(1)","492-62-6(1), 59-23-4(1), 3458-28-4(1)","1883, 163, 3386","High Reliability","Stereochemistry removed, Manual Check passed"]
[2837,"OCC(O)C(O)C(O)C(=O)CO\n\n\n","OCC(C(C(C(=O)CO)O)O)O","O=C(CO)C(O)C(O)C(O)CO","",1,"L-Sorbose(1)","87-79-6(1)","598","High Reliability","Stereochemistry removed"]
[2838,"OCC(O)C(O)C(O)C(O)C(O)=O\n[K+].OCC(O)C(O)C(O)C(O)C([O-])=O\n[Na+].OCC(O)C(O)C(O)C(O)C([O-])=O\n[Cu+2].OCC(O)C(O)C(O)C(O)C([O-])=O.OCC(O)C(O)C(O)C(O)C([O-])=O","OCC(C(C(C(C(=O)O)O)O)O)O","O=C(O)C(O)C(O)C(O)C(O)CO","",3,"D-GLUCONIC ACID(1), Sodium Gluconate(1), Cupric Gluconate(1)","526-95-4(1), 527-07-1(1), 527-09-3(1)","1994, 1998, 1999","High Reliability","Differences in counterions, Organometallic, Organic counterion, Stereochemistry removed"]
[2839,"CCCCCCBr\n\n\n","CCCCCCBr","CCCCCCBr","",1,"1-BROMOHEXANE(1)","111-25-1(1)","1211","High Reliability","-"]
[2840,"CCCCCCCl\n\n\n","CCCCCCCl","CCCCCCCl","",1,"1-CHLOROHEXANE(1)","544-10-5(1)","2107","High Reliability","-"]
[2841,"CCN(CCCl)CCCl\n\n\n","ClCCN(CCCl)CC","N(CC)(CCCl)CCCl","",1,"BIS(2-CHLOROETHYL)ETHYLAMINE(1)","538-07-8(1)","2050","High Reliability","-"]
[2842,"C1CCCNCC1\n\n\n","C1CCCCNC1","N1CCCCCC1","",1,"HEXAMETHYLENEIMINE(1)","111-49-9(1)","1222","High Reliability","-"]
[2843,"CN1CCCCC1\n[H+].[Cl-].CN1CCCCC1\n\n","CN1CCCCC1","N1(C)CCCCC1","",1,"N-METHYLPIPERIDINE(1)","626-67-5(1)","2531","High Reliability","Differences in counterions"]
[2844,"NC1CCCCC1\n\n\n","NC1CCCCC1","NC1CCCCC1","",1,"CYCLOHEXANAMINE(1)","108-91-8(1)","1111","High Reliability","-"]
[2845,"OCC(O)C(O)C(O)C=NNC(O)=N\n\n\n","OCC(C(C(C=NNC(=N)O)O)O)O","N=C(O)NN=CC(O)C(O)C(O)CO","",1,"D-Xylose, (aminocarbonyl)hydrazone(1)","5934-39-4(1)","3680","Medium Reliability","Stereochemistry removed"]
[2846,"CCN1CCOCC1\n\n\n","CCN1CCOCC1","O1CCN(CC)CC1","",1,"4-ETHYLMORPHOLINE(1)","100-74-3(1)","897","High Reliability","-"]
[2847,"CCCCC(N)C(O)=O\n\n\n","CCCCC(C(=O)O)N","O=C(O)C(N)CCCC","",3,"DL-Norleucine(1), Norleucine(1), a-aminocaproicacid(1)","616-06-8(1), 5157-09-5(1), 327-57-1(1)","2441, 3572, 1733","Medium Reliability","Stereochemistry removed, Manual Check passed"]
[2848,"CCC(C)C(N)C(O)=O\n\n\n","CCC(C(C(=O)O)N)C","O=C(O)C(N)C(C)CC","",5,"ISO-LEUCINE(1), ISOLEUCINE(1), DL-Isoleucine(1), Isoleucine(1), DL-Alloisoleucine(1)","73-32-5(1), 319-78-8(1), 443-79-8(1), 7004-09-3(1), 3107-04-8(1)","301, 1724, 1789, 3806, 3328","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[2849,"CCNC(CC)C(O)=O\n\n\n","CCNC(C(=O)O)CC","O=C(O)C(NCC)CC","",1,"Butanoic acid, 2-(ethylamino)-(1)","17199-14-3(1)","4146","Medium Reliability","-"]
[2850,"CC(C)CC(N)C(O)=O\n\n\n","NC(C(=O)O)CC(C)C","O=C(O)C(N)CC(C)C","",2,"LEUCINE(2)","61-90-5(1), 328-39-2(1)","203, 1736","High Reliability","Stereochemistry removed"]
[2851,"CCOC(=O)N(C)CC\n\n\n","CCOC(=O)N(CC)C","O=C(OCC)N(C)CC","",1,"Carbamic acid, ethylmethyl-, ethyl ester(1)","77333-18-7(1)","5238","Medium Reliability","-"]
[2852,"CCN(CC)C(=O)OC\n\n\n","CCN(C(=O)OC)CC","O=C(OC)N(CC)CC","",1,"Carbamic acid, diethyl-, methyl ester(1)","4652-44-2(1)","3519","High Reliability","-"]
[2853,"NCCCCCC(O)=O\n\n\n","NCCCCCC(=O)O","O=C(O)CCCCCN","",1,"6-AMINOHEXANOIC ACID(1)","60-32-2(1)","187","High Reliability","-"]
[2854,"CCCCCCO[N+]([O-])=O\n\n\n","CCCCCCO[N+](=O)[O-]","O=[N+]([O-])OCCCCCC","",1,"1-HEXYL NITRATE(1)","20633-11-8(1)","4264","High Reliability","-"]
[2855,"NC(C(O)C(O)C(O)CO)C(O)=O\n\n\n","OCC(C(C(C(C(=O)O)N)O)O)O","O=C(O)C(N)C(O)C(O)C(O)CO","",1,"D-Gluconic acid, 2-amino-2-deoxy-(1)","3646-68-2(1)","3407","High Reliability","Stereochemistry removed"]
[2856,"OC1C(O)C(O)C(OP([O-])([O-])=O)C(O)C1O\nOC1C(O)C(O)C(OP(O)(O)=O)C(O)C1O\n\n","OC1C(OP(=O)(O)O)C(O)C(C(C1O)O)O","O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1(O)","",1,"INOSITOL MONOPHOSPHATE(1)","573-35-3(1)","2205","High Reliability","Stereochemistry removed"]
[2857,"CCCCCC\n\n\n","CCCCCC","CCCCCC","",1,"N-HEXANE(1)","110-54-3(1)","1177","High Reliability","-"]
[2858,"CCCC(C)C\n\n\n","CCCC(C)C","CCCC(C)C","",1,"2-METHYLPENTANE(1)","107-83-5(1)","1054","High Reliability","-"]
[2859,"CCC(C)CC\n\n\n","CCC(CC)C","CCC(C)CC","",1,"3-METHYLPENTANE(1)","96-14-0(1)","767","High Reliability","-"]
[2860,"CC(C)C(C)C\n\n\n","CC(C(C)C)C","CC(C)C(C)C","",1,"2,3-DIMETHYLBUTANE(1)","79-29-8(1)","474","High Reliability","-"]
[2861,"CCC(C)(C)C\n\n\n","CCC(C)(C)C","CCC(C)(C)C","",1,"2,2-DIMETHYLBUTANE(1)","75-83-2(1)","368","High Reliability","-"]
[2862,"CC(C)OP(F)(=O)OC(C)C\n\n\n","CC(OP(=O)(OC(C)C)F)C","O=P(F)(OC(C)C)OC(C)C","",1,"ISOFLUROPHATE(1)","55-91-4(1)","87","High Reliability","-"]
[2863,"CC1CNC(C)CN1\nCC1C[NH2+]C(C)C[NH2+]1\n\n","CC1NCC(NC1)C","N1CC(NCC1C)C","",1,"trans-2,5-Dimethylpiperazine(1)","2815-34-1(1)","3289","High Reliability","Stereochemistry removed"]
[2864,"CCCCN(CC)N=O\nCCCCNCCN=O\n\n","CCCCN(N=O)CC","O=NN(CC)CCCC","",1,"n-nitrosoethyl-n-butylamine(1)","4549-44-4(1)","3508","High Reliability","Name verified in PubChem"]
[2865,"CCCN(CCC)N=O\n\n\n","CCCN(N=O)CCC","O=NN(CCC)CCC","",1,"N-NITROSODIPROPYLAMINE(1)","621-64-7(1)","2480","High Reliability","-"]
[2866,"CCC(C)(C)NC(N)=O\n\n\n","CCC(NC(=O)N)(C)C","O=C(N)NC(C)(C)CC","",1,"Urea, (1,1-dimethylpropyl)-(1)","625-15-0(1)","2513","High Reliability","-"]
[2867,"CC(C)N(N=O)C(C)C\n\n\n","CC(N(C(C)C)N=O)C","O=NN(C(C)C)C(C)C","",1,"DI-I-PROPYLNITROSOAMINE(1)","601-77-4(1)","2366","Medium Reliability","-"]
[2868,"NCCCCC(N)C(O)=O\n\n\n","NCCCCC(C(=O)O)N","O=C(O)C(N)CCCCN","",1,"LYSINE(1)","56-87-1(1)","112","High Reliability","Stereochemistry removed"]
[2869,"NNC(=O)C(O)C(O)C(O)C(O)CO\n\n\n","OCC(C(C(C(C(=O)NN)O)O)O)O","O=C(NN)C(O)C(O)C(O)C(O)CO","",1,"D-Gluconic acid, hydrazide(1)","3868-12-0(1)","3441","Medium Reliability","Stereochemistry removed"]
[2870,"NC(CCCNC(N)=N)C(O)=O\nNC(CCCN=C(N)N)C(O)=O\n\n","NC(=N)NCCCC(C(=O)O)N","O=C(O)C(N)CCCNC(=N)N","",1,"ARGININE(1)","74-79-3(1)","306","High Reliability","Stereochemistry removed"]
[2871,"CCNC(=O)CSP(=S)(OC)OC\n\n\n","CCNC(=O)CSP(=S)(OC)OC","O=C(NCC)CSP(OC)(OC)=S","",1,"ETHOATE METHYL(1)","116-01-8(1)","1294","High Reliability","-"]
[2872,"CCCCCCO\n\n\n","CCCCCCO","OCCCCCC","",2,"1-HEXANOL(1), HEXANOL(1)","111-27-3(1), 25917-35-5(1)","1213, 4410","High Reliability","Checked on PubChem, Checked on ChemID"]
[2873,"CCCCC(C)O\n\n\n","CCCCC(O)C","OC(C)CCCC","",1,"2-HEXANOL(1)","626-93-7(1)","2535","High Reliability","-"]
[2874,"CCCC(C)CO\n\n\n","CCCC(CO)C","OCC(C)CCC","",1,"2-METHYL-1-PENTANOL(1)","105-30-6(1)","966","High Reliability","-"]
[2875,"CCCC(O)CC\n\n\n","CCCC(CC)O","OC(CC)CCC","",1,"3-HEXANOL(1)","623-37-0(1)","2495","High Reliability","-"]
[2876,"CCCOCCC\n\n\n","CCCOCCC","O(CCC)CCC","",1,"DI(N-PROPYL) ETHER(1)","111-43-3(1)","1218","Medium Reliability","-"]
[2877,"CCC(C)CCO\n\n\n","OCCC(CC)C","OCCC(C)CC","",1,"3-Methyl-1-pentanol(1)","589-35-5(1)","2272","High Reliability","-"]
[2878,"CCC(CC)CO\n\n\n","CCC(CO)CC","OCC(CC)CC","",1,"2-ETHYL-1-BUTANOL(1)","97-95-0(1)","805","High Reliability","-"]
[2879,"CCC(C)C(C)O\n\n\n","CCC(C(O)C)C","OC(C)C(C)CC","",1,"3-METHYL-2-PENTANOL(1)","565-60-6(1)","2190","High Reliability","Checked on PubChem, Checked on ChemID"]
[2880,"CCCC(C)(C)O\n\n\n","CCCC(O)(C)C","OC(C)(C)CCC","",1,"2-METHYL-2-PENTANOL(1)","590-36-3(1)","2290","High Reliability","-"]
[2881,"CCCOC(C)C\n\n\n","CCCOC(C)C","O(CCC)C(C)C","",1,"PROPYL ISOPROPYL ETHER(1)","627-08-7(1)","2538","High Reliability","-"]
[2882,"CCC(C)(C)CO\n\n\n","CCC(CO)(C)C","OCC(C)(C)CC","",1,"2,2-DIMETHYL-1-BUTANOL(1)","1185-33-7(1)","2858","High Reliability","-"]
[2883,"CCC(C)(O)CC\n\n\n","CCC(CC)(O)C","OC(C)(CC)CC","",1,"3-METHYL-3-PENTANOL(1)","77-74-7(1)","421","High Reliability","-"]
[2884,"CCC(O)C(C)C\n\n\n","CCC(C(C)C)O","OC(CC)C(C)C","",1,"2-METHYL-3-PENTANOL(1)","565-67-3(1)","2192","High Reliability","Checked on PubChem, Checked on ChemID"]
[2885,"CC(C)CC(C)O\n\n\n","CC(CC(O)C)C","OC(C)CC(C)C","",1,"4-METHYL-2-PENTANOL(1)","108-11-2(1)","1069","High Reliability","-"]
[2886,"CC(C)C(C)CO\n\n\n","OCC(C(C)C)C","OCC(C)C(C)C","",1,"1-BUTANOL, 2,3-DIMETHYL-(1)","19550-30-2(1)","4230","High Reliability","Checked on PubChem, Checked on ChemID"]
[2887,"CC(C)C(C)(C)O\n\n\n","CC(C(O)(C)C)C","OC(C)(C)C(C)C","",1,"2,3-DIMETHYL-2-BUTANOL(1)","594-60-5(1)","2325","High Reliability","-"]
[2888,"CC(C)OC(C)C\n\n\n","CC(OC(C)C)C","O(C(C)C)C(C)C","",1,"DI-ISOPROPYL ETHER(1)","108-20-3(1)","1073","High Reliability","-"]
[2889,"CC(O)C(C)(C)C\n\n\n","CC(C(C)(C)C)O","OC(C)C(C)(C)C","",1,"3,3-DIMETHYL-2-BUTANOL(1)","464-07-3(1)","1813","High Reliability","-"]
[2890,"CCOC(C)(C)C\n\n\n","CCOC(C)(C)C","O(CC)C(C)(C)C","",1,"ETHYL T-BUTYL ETHER(1)","637-92-3(1)","2600","High Reliability","-"]
[2891,"CC(C)CCCO\n\n\n","OCCCC(C)C","OCCCC(C)C","",1,"4-METHYL-1-PENTANOL(1)","626-89-1(1)","2534","High Reliability","-"]
[2892,"CC(C)(C)CCO\n\n\n","OCCC(C)(C)C","OCCC(C)(C)C","",1,"3,3-DIMETHYL-1-BUTANOL(1)","624-95-3(1)","2511","High Reliability","-"]
[2893,"CCCCOCCO\n\n\n","CCCCOCCO","OCCOCCCC","",1,"2-BUTOXYETHANOL(1)","111-76-2(1)","1230","High Reliability","-"]
[2894,"CCCOCC(C)O\n\n\n","CCCOCC(O)C","OC(C)COCCC","",1,"1-PROPOXY-2-PROPANOL(1)","1569-01-3(1)","2926","High Reliability","-"]
[2895,"CCOCCOCC\n\n\n","CCOCCOCC","O(CC)CCOCC","",1,"1,2-DIETHOXYETHANE(1)","629-14-1(1)","2565","High Reliability","-"]
[2896,"CCOC(C)CCO\n\n\n","OCCC(OCC)C","OCCC(OCC)C","",1,"1-Butanol, 3-ethoxy-(1)","82655-81-0(1)","5281","Medium Reliability","-"]
[2897,"CCOC(C)OCC\n\n\n","CCOC(OCC)C","O(CC)C(OCC)C","",1,"1,1-DIETHOXYETHANE(1)","105-57-7(1)","977","High Reliability","-"]
[2898,"CC(O)CC(C)(C)O\n\n\n","CC(CC(O)(C)C)O","OC(C)CC(O)(C)C","",1,"2-METHYL-2,4-PENTANEDIOL(1)","107-41-5(1)","1044","High Reliability","-"]
[2899,"CCC(CO)(CO)CO\n\n\n","CCC(CO)(CO)CO","OCC(CO)(CO)CC","",1,"1,1,1-TRIS(HYDROXYMETHYL)PROPANE(1)","77-99-6(1)","430","High Reliability","-"]
[2900,"CCOCCOCCO\n\n\n","OCCOCCOCC","OCCOCCOCC","",1,"DIETHYLENE GLYCOL MONOETHYL ETHER(1)","111-90-0(1)","1237","High Reliability","-"]
[2901,"CC(O)COC(C)CO\n\n\n","OCC(OCC(O)C)C","OCC(OCC(O)C)C","",1,"1-PROPANOL, 2-(2-HYDROXYPROPOXY)-(1)","106-62-7(1)","1007","High Reliability","-"]
[2902,"COCCOCCOC\n\n\n","COCCOCCOC","O(C)CCOCCOC","",1,"2-METHOXYETHYLETHER(1)","111-96-6(1)","1240","High Reliability","-"]
[2903,"OCCOCCOCCO\n\n\n","OCCOCCOCCO","OCCOCCOCCO","",1,"TRIETHYLENE GLYCOL(1)","112-27-6(1)","1247","High Reliability","-"]
[2904,"OCC(O)C(O)C(O)C(O)CO\n\n\n","OCC(C(C(C(CO)O)O)O)O","OCC(O)C(O)C(O)C(O)CO","",3,"SORBITOL(1), MANNITOL(1), GALACTITOL(1)","50-70-4(1), 69-65-8(1), 608-66-2(1)","30, 268, 2396","High Reliability","Stereochemistry removed"]
[2905,"CCCSS(=O)CCC\n\n\n","CCCSS(=O)CCC","O=S(CCC)SCCC","",1,"propane-1-thiosulfinic acid S-propyl ester(1)","1948-52-3(1)","3044","High Reliability","-"]
[2906,"CC(C)SS(=O)C(C)C\n\n\n","CC(SS(=O)C(C)C)C","O=S(C(C)C)SC(C)C","",1,"Propane-2-thiosulfinic acid S-isopropyl ester(1)","38739-06-9(1)","4694","Medium Reliability","-"]
[2907,"CCCCCCN\n\n\n","CCCCCCN","NCCCCCC","",1,"N-HEXYLAMINE(1)","111-26-2(1)","1212","High Reliability","-"]
[2908,"CCCCNCC\n\n\n","CCCCNCC","N(CC)CCCC","",1,"1-Butanamine, N-ethyl-(1)","13360-63-9(1)","3971","High Reliability","-"]
[2909,"CCCNCCC\n\n\n","CCCNCCC","N(CCC)CCC","",1,"DIPROPYLAMINE(1)","142-84-7(1)","1589","High Reliability","-"]
[2910,"CCNC(C)CC\n\n\n","CCNC(CC)C","N(CC)C(C)CC","",1,"sec-Butyl Ethylamine(1)","116724-10-8(1)","5610","High Reliability","Checked on PubChem, Checked on ChemID"]
[2911,"CCN(CC)CC\n\n\n","CCN(CC)CC","N(CC)(CC)CC","",1,"TRIETHYLAMINE(1)","121-44-8(1)","1374","High Reliability","-"]
[2912,"CC(C)NC(C)C\n\n\n","CC(NC(C)C)C","N(C(C)C)C(C)C","",1,"DIISOPROPYLAMINE(1)","108-18-9(1)","1071","High Reliability","-"]
[2913,"CC(N)C(C)(C)C\nCC([NH3+])C(C)(C)C\n\n","CC(C(C)(C)C)N","NC(C)C(C)(C)C","",1,"2-Butanamine, 3,3-dimethyl-(1)","3850-30-4(1)","3439","High Reliability","Stereochemistry removed"]
[2914,"CCCCNCCO\n\n\n","CCCCNCCO","OCCNCCCC","",1,"Ethanol, 2-(butylamino)-(1)","111-75-1(1)","1229","High Reliability","-"]
[2915,"CCN(CC)CCO\n\n\n","OCCN(CC)CC","OCCN(CC)CC","",1,"2-(DIETHYLAMINO)-ETHANOL(1)","100-37-8(1)","874","High Reliability","-"]
[2916,"CN(C)C(C)(C)CO\n[H+].[Cl-].CN(C)C(C)(C)CO\n\n","OCC(N(C)C)(C)C","OCC(N(C)C)(C)C","",1,"DMAMP(1)","7005-47-2(1)","3807","High Reliability","Differences in counterions"]
[2917,"CCN(CCO)CCO\nCC[NH+](CCO)CCO\n\n","OCCN(CCO)CC","OCCN(CC)CCO","",1,"Ethanol, 2,2'-(ethylimino)bis-(1)","139-87-7(1)","1549","High Reliability","-"]
[2918,"CC(O)CNCC(C)O\n\n\n","CC(CNCC(O)C)O","OC(C)CNCC(O)C","",1,"DIISOPROPANOLAMINE(1)","110-97-4(1)","1201","High Reliability","-"]
[2919,"OCCN(CCO)CCO\n\n\n","OCCN(CCO)CCO","OCCN(CCO)CCO","",1,"TRIETHANOLAMINE(1)","102-71-6(1)","922","High Reliability","-"]
[2920,"CCSCCSP(=S)(OC)OC\n\n\n","CCSCCSP(=S)(OC)OC","O(C)P(OC)(=S)SCCSCC","",1,"THIOMETON(1)","640-15-3(1)","2605","High Reliability","-"]
[2921,"CCSCCSP(=O)(OC)OC\n\n\n","CCSCCSP(=O)(OC)OC","O=P(OC)(OC)SCCSCC","",1,"DEMETON-S-METHYL(1)","919-86-8(1)","2739","High Reliability","-"]
[2922,"CCOP(=O)(OCC)OCC\n\n\n","CCOP(=O)(OCC)OCC","O=P(OCC)(OCC)OCC","",1,"TRIETHYL PHOSPHATE(1)","78-40-0(1)","434","High Reliability","-"]
[2923,"CCS(=O)CCSP(=O)(OC)OC\n\n\n","CCS(=O)CCSP(=O)(OC)OC","O=S(CC)CCSP(=O)(OC)OC","",1,"OXYDEMETON METHYL(1)","301-12-2(1)","1705","High Reliability","-"]
[2924,"CC(C)NP(F)(=O)NC(C)C\n\n\n","CC(NP(=O)(NC(C)C)F)C","O=P(F)(NC(C)C)NC(C)C","",1,"ISOPESTOX(1)","371-86-8(1)","1761","High Reliability","-"]
[2925,"NCCCCCCN\n\n\n","NCCCCCCN","NCCCCCCN","",1,"HEXAMETHYLENE DIAMINE(1)","124-09-4(1)","1438","High Reliability","-"]
[2926,"CN(C)P(=O)(N(C)C)N(C)C\n\n\n","CN(P(=O)(N(C)C)N(C)C)C","O=P(N(C)C)(N(C)C)N(C)C","",1,"HEXAMETHYLPHOSPHORAMIDE(1)","680-31-9(1)","2625","High Reliability","-"]
[2927,"NCCNCCNCCN\n\n\n","NCCNCCNCCN","NCCNCCNCCN","",1,"TRIETHYLENETETRAAMINE(1)","112-24-3(1)","1244","High Reliability","-"]
[2928,"OP(O)(=O)OC1C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1OP(O)(O)=O\n\n\n","OP(=O)(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O","O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1(OP(=O)(O)O)","",1,"Phytic Acid(1)","83-86-3(1)","531","High Reliability","Stereochemistry removed"]
[2929,"ClN=C1C=C(Br)C(=O)C(Br)=C1\n\n\n","ClN=C1C=C(Br)C(=O)C(=C1)Br","O=C1C(=CC(=NCl)C=C1Br)Br","",1,"2,6-DIBROMOQUINONECHLOROIMIDE(1)","537-45-1(1)","2046","Medium Reliability","-"]
[2930,"Brc1cc(Br)c(Br)cc1Br\n\n\n","Brc1cc(Br)c(cc1Br)Br","c1c(c(cc(c1Br)Br)Br)Br","",1,"1,2,4,5-TETRABROMOBENZENE(1)","636-28-2(1)","2592","High Reliability","-"]
[2931,"OC1=C(Cl)C(=O)C(O)=C(Cl)C1=O\n\n\n","OC1=C(Cl)C(=O)C(=C(C1=O)Cl)O","O=C1C(O)=C(C(=O)C(O)=C1Cl)Cl","",1,"Chloranilic acid(1)","87-88-7(1)","602","High Reliability","-"]
[2932,"[O-][N+](=O)c1ccc(Cl)c(Cl)c1Cl\n\n\n","[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl","O=[N+]([O-])c1ccc(c(c1Cl)Cl)Cl","",1,"2,3,4-TRICHLORONITROBENZENE(1)","17700-09-3(1)","4167","High Reliability","-"]
[2933,"[O-][N+](=O)c1c(Cl)cc(Cl)cc1Cl\n\n\n","Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl","O=[N+]([O-])c1c(cc(cc1Cl)Cl)Cl","",1,"BENZENE, 1,3,5-TRICHLORO-2-NITRO-(1)","18708-70-8(1)","4205","High Reliability","-"]
[2934,"[O-][N+](=O)c1cc(Cl)c(Cl)cc1Cl\n\n\n","Clc1cc([N+](=O)[O-])c(cc1Cl)Cl","O=[N+]([O-])c1cc(c(cc1Cl)Cl)Cl","",1,"2,4,5-TRICHLORONITROBENZENE(1)","89-69-0(1)","639","High Reliability","-"]
[2935,"Clc1c(Cl)c(Cl)c(Cl)cc1\nClc1ccc(Cl)c(Cl)c1Cl\n\n","Clc1c(Cl)ccc(c1Cl)Cl","c1cc(c(c(c1Cl)Cl)Cl)Cl","",1,"1,2,3,4-TETRACHLOROBENZENE(1)","634-66-2(1)","2586","High Reliability","-"]
[2936,"Clc1cc(Cl)c(Cl)cc1Cl\n\n\n","Clc1cc(Cl)c(cc1Cl)Cl","c1c(c(cc(c1Cl)Cl)Cl)Cl","",1,"1,2,4,5-TETRACHLOROBENZENE(1)","95-94-3(1)","762","High Reliability","-"]
[2937,"Clc1cc(Cl)c(Cl)c(Cl)c1\n\n\n","Clc1cc(Cl)c(c(c1)Cl)Cl","c1c(cc(c(c1Cl)Cl)Cl)Cl","",1,"1,2,3,5-TETRACHLOROBENZENE(1)","634-90-2(1)","2587","High Reliability","-"]
[2938,"Oc1c(Cl)c(Cl)c(Cl)cc1Cl\n\n\n","Oc1c(Cl)cc(c(c1Cl)Cl)Cl","Oc1c(cc(c(c1Cl)Cl)Cl)Cl","",1,"2,3,4,6-TETRACHLOROPHENOL(1)","58-90-2(1)","160","High Reliability","-"]
[2939,"Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl\n\n\n","Oc1c(O)c(Cl)c(c(c1Cl)Cl)Cl","Oc1c(O)c(c(c(c1Cl)Cl)Cl)Cl","",1,"TETRACHLORO-1,2-BENZENEDIOL(1)","1198-55-6(1)","2871","High Reliability","-"]
[2940,"[O-][N+](=O)c1ccc(Cl)c(c1[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1[N+](=O)[O-])[N+](=O)[O-])Cl","O=[N+]([O-])c1ccc(c(c1[N+](=O)[O-])[N+](=O)[O-])Cl","",1,"CHLOROTRINITROBENZENE(1)","28260-61-9(1)","4461","High Reliability","Checked on PubChem, Checked on ChemID"]
[2941,"[O-][N+](=O)c1cc(c(Cl)c(c1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]","",1,"2,4,6-TRINITROCHLOROBENZENE(1)","88-88-0(1)","623","High Reliability","-"]
[2942,"Fc1cc(F)c(F)cc1F\n\n\n","Fc1cc(F)c(cc1F)F","Fc1cc(F)c(F)cc1(F)","",1,"1,2,4,5-TETRAFLUOROBENZENE(1)","327-54-8(1)","1732","High Reliability","-"]
[2943,"Fc1cc(F)c(F)c(F)c1\n\n\n","Fc1cc(F)c(c(c1)F)F","Fc1cc(F)c(F)c(F)c1","",1,"1,2,3,5-TETRAFLUOROBENZENE(1)","2367-82-0(1)","3177","High Reliability","-"]
[2944,"Brc1cc(Br)c(Br)cc1\n\n\n","Brc1ccc(c(c1)Br)Br","c1cc(c(cc1Br)Br)Br","",1,"1,2,4-TRIBROMOBENZENE(1)","615-54-3(1)","2437","High Reliability","-"]
[2945,"Brc1cc(Br)cc(Br)c1\n\n\n","Brc1cc(Br)cc(c1)Br","c1c(cc(cc1Br)Br)Br","",1,"1,3,5-TRIBROMOBENZENE(1)","626-39-1(1)","2527","High Reliability","-"]
[2946,"Brc1cccc(Br)c1Br\n\n\n","Brc1c(Br)cccc1Br","c1cc(c(c(c1)Br)Br)Br","",2,"1,2,3-TRIBROMOBENZENE(1), TRIBROMOBENZENE(1)","608-21-9(1), 28779-08-0(1)","2390, 4469","High Reliability","Checked on PubChem, Checked on ChemID"]
[2947,"Oc1c(Br)cc(Br)cc1Br\n\n\n","Brc1cc(Br)c(c(c1)Br)O","Oc1c(cc(cc1Br)Br)Br","",1,"2,4,6-TRIBROMOPHENOL(1)","118-79-6(1)","1325","High Reliability","-"]
[2948,"OC(=O)c1c(Cl)ccc(Cl)n1\nOC(=O)c1nc(Cl)ccc1Cl\n\n","Clc1ccc(c(n1)C(=O)O)Cl","O=C(O)c1nc(ccc1Cl)Cl","",1,"3,6-DICHLOROPICOLINIC ACID(1)","1702-17-6(1)","2966","High Reliability","-"]
[2949,"[O-][N+](=O)c1c(Cl)ccc(Cl)c1\n[O-][N+](=O)c1cc(Cl)ccc1Cl\n\n","Clc1ccc(c(c1)[N+](=O)[O-])Cl","O=[N+]([O-])c1cc(ccc1Cl)Cl","",1,"2,5-DICHLORONITROBENZENE(1)","89-61-2(1)","633","High Reliability","-"]
[2950,"[O-][N+](=O)c1cccc(Cl)c1Cl\n\n\n","[O-][N+](=O)c1cccc(c1Cl)Cl","O=[N+]([O-])c1cccc(c1Cl)Cl","",1,"2,3-DICHLORONITROBENZENE(1)","3209-22-1(1)","3350","High Reliability","-"]
[2951,"[O-][N+](=O)c1ccc(Cl)c(Cl)c1\n\n\n","[O-][N+](=O)c1ccc(c(c1)Cl)Cl","O=[N+]([O-])c1ccc(c(c1)Cl)Cl","",1,"3,4-DICHLORONITROBENZENE(1)","99-54-7(1)","849","High Reliability","-"]
[2952,"Oc1c(Cl)cc(Cl)cc1[N+]([O-])=O\n\n\n","Clc1cc(Cl)c(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(cc(c1(O))Cl)Cl","",1,"2,4-DICHLORO-6-NITROPHENOL(1)","609-89-2(1)","2402","High Reliability","-"]
[2953,"Clc1cc(Cl)c(Cl)cc1\n\n\n","Clc1ccc(c(c1)Cl)Cl","c1cc(c(cc1Cl)Cl)Cl","",1,"1,2,4-TRICHLOROBENZENE(1)","120-82-1(1)","1364","High Reliability","-"]
[2954,"Clc1cc(Cl)cc(Cl)c1\n\n\n","Clc1cc(Cl)cc(c1)Cl","c1c(cc(cc1Cl)Cl)Cl","",1,"1,3,5-TRICHLOROBENZENE(1)","108-70-3(1)","1097","High Reliability","-"]
[2955,"Clc1cccc(Cl)c1Cl\n\n\n","Clc1c(Cl)cccc1Cl","c1cc(c(c(c1)Cl)Cl)Cl","",2,"1,2,3-TRICHLOROBENZENE(1), TRICHLOROBENZENES(1)","87-61-6(1), 12002-48-1(1)","591, 3938","High Reliability","Checked on PubChem"]
[2956,"Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl\n\n\n","OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl","O=C(O)c1nc(c(c(N)c1Cl)Cl)Cl","",1,"PICLORAM(1)","1918-02-1(1)","3025","High Reliability","-"]
[2957,"Oc1c(Cl)ccc(Cl)c1Cl\n\n\n","Clc1ccc(c(c1Cl)O)Cl","Oc1c(ccc(c1Cl)Cl)Cl","",1,"2,3,6-TRICHLOROPHENOL(1)","933-75-5(1)","2755","High Reliability","-"]
[2958,"Oc1c(Cl)cc(Cl)cc1Cl\n\n\n","Clc1cc(Cl)c(c(c1)Cl)O","Oc1c(cc(cc1Cl)Cl)Cl","",1,"2,4,6-TRICHLOROPHENOL(1)","88-06-2(1)","607","High Reliability","-"]
[2959,"Oc1c(Cl)cc(Cl)c(Cl)c1\n\n\n","Clc1cc(Cl)c(cc1O)Cl","Oc1cc(c(cc1Cl)Cl)Cl","",1,"2,4,5-TRICHLOROPHENOL(1)","95-95-4(1)","763","High Reliability","-"]
[2960,"Oc1cc(Cl)c(O)c(Cl)c1Cl\nOc1ccc(OCl)c(Cl)c1Cl\n\n","Clc1cc(O)c(c(c1O)Cl)Cl","Oc1cc(c(O)c(c1Cl)Cl)Cl","",1,"trichlorohydroquinone(1)","608-94-6(1)","2399","High Reliability","Name verified in PubChem"]
[2961,"Clc1cccc(n1)C(Cl)(Cl)Cl\n\n\n","Clc1cccc(n1)C(Cl)(Cl)Cl","n1c(cccc1Cl)C(Cl)(Cl)Cl","",1,"NITRAPYRIN(1)","1929-82-4(1)","3039","High Reliability","-"]
[2962,"[O-][N+](=O)c1cc(c(Cl)cc1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl","O=[N+]([O-])c1ccc(c(c1)[N+](=O)[O-])Cl","",1,"2,4-DINITROCHLOROBENZENE(1)","97-00-7(1)","790","High Reliability","-"]
[2963,"Clc1nc2ncncc2nc1\nClc1cnc2cncnc2n1\n\n","Clc1cnc2c(n1)ncnc2","n1cnc2nc(cnc2(c1))Cl","",1,"Pteridine, 7-chloro-(1)","1125-84-4(1)","2845","Medium Reliability","-"]
[2964,"Clc1nc2cncnc2nc1\nClc1cnc2ncncc2n1\n\n","Clc1cnc2c(n1)cncn2","n1cnc2ncc(nc2(c1))Cl","",1,"Pteridine, 6-chloro-(1)","1125-82-2(1)","2844","Medium Reliability","-"]
[2965,"Clc1ncc2nccnc2n1\n\n\n","Clc1ncc2c(n1)nccn2","n1ccnc2cnc(nc12)Cl","",1,"Pteridine, 2-chloro-(1)","14159-38-7(1)","4017","Medium Reliability","-"]
[2966,"FC(F)(F)c1nc2ncncc2[nH]1\nFC(F)(F)c1nc-2c[nH]cnc2n1\n\n","FC(c1nc2c([nH]1)cncn2)(F)F","FC(F)(F)c1nc2ncncc2([nH]1)","",1,"1H-Purine, 8-(trifluoromethyl)-(1)","2268-12-4(1)","3149","Medium Reliability","-"]
[2967,"[O-][N+](=O)c1ccc(F)c(c1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F","O=[N+]([O-])c1ccc(F)c(c1)[N+](=O)[O-]","",1,"1-FLUORO-2,4-DINITROBENZENE(1)","70-34-8(1)","274","High Reliability","-"]
[2968,"[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","",1,"1,3,5-TRINITROBENZENE(1)","99-35-4(1)","846","High Reliability","-"]
[2969,"Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-]","",1,"2,4,6-TRINITROPHENOL(1)","88-89-1(1)","624","High Reliability","-"]
[2970,"Oc1c(c(O)c(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O","O=[N+]([O-])c1cc(c(O)c(c1(O))[N+](=O)[O-])[N+](=O)[O-]","",1,"2,4,6-TRINITRORESORCINOL(1)","82-71-3(1)","517","High Reliability","-"]
[2971,"Brc1ccc(Br)cc1\n\n\n","Brc1ccc(cc1)Br","c1cc(ccc1Br)Br","",1,"1,4-DIBROMOBENZENE(1)","106-37-6(1)","993","High Reliability","-"]
[2972,"Brc1cc(Br)ccc1\n\n\n","Brc1cccc(c1)Br","c1cc(cc(c1)Br)Br","",1,"M-DIBROMOBENZENE(1)","108-36-1(1)","1079","High Reliability","-"]
[2973,"Brc1c(Br)cccc1\nBrc1ccccc1Br\n\n","Brc1ccccc1Br","c1ccc(c(c1)Br)Br","",1,"O-DIBROMOBENZENE(1)","583-53-9(1)","2238","High Reliability","-"]
[2974,"Oc1c(Br)cc(Br)cc1\n\n\n","Brc1ccc(c(c1)Br)O","Oc1ccc(cc1Br)Br","",1,"2,4-DIBROMOPHENOL(1)","615-58-7(1)","2438","High Reliability","-"]
[2975,"Nc1c(Br)c(c(Br)cc1Br)S(O)(=O)=O\nNc1c(Br)cc(Br)c(c1Br)S(O)(=O)=O\n\n","Brc1cc(Br)c(c(c1S(=O)(=O)O)Br)N","O=S(=O)(O)c1c(cc(c(N)c1Br)Br)Br","",1,"Benzenesulfonic acid, 3-amino-2,4,6-tribromo-(1)","58585-89-0(1)","4960","Medium Reliability","-"]
[2976,"Clc1ccc(Br)cc1\n\n\n","Clc1ccc(cc1)Br","c1cc(ccc1Cl)Br","",1,"P-BROMOCHLOROBENZENE(1)","106-39-8(1)","995","High Reliability","-"]
[2977,"Clc1cc(Br)ccc1\n\n\n","Clc1cccc(c1)Br","c1cc(cc(c1)Br)Cl","",1,"M-BROMOCHLOROBENZENE(1)","108-37-2(1)","1080","High Reliability","-"]
[2978,"Clc1ccccc1Br\n\n\n","Clc1ccccc1Br","c1ccc(c(c1)Cl)Br","",1,"2-BROMOCHLOROBENZENE(1)","694-80-4(1)","2640","High Reliability","-"]
[2979,"Fc1cc(Br)ccc1\n\n\n","Fc1cccc(c1)Br","Fc1cccc(c1)Br","",1,"M-BROMOFLUOROBENZENE(1)","1073-06-9(1)","2814","High Reliability","-"]
[2980,"Fc1c(Br)cccc1\nFc1ccccc1Br\n\n","Fc1ccccc1Br","Fc1ccccc1Br","",1,"1-bromo-2-fluorobenzene(1)","1072-85-1(1)","2813","High Reliability","-"]
[2981,"Brc1ccc(I)cc1\n\n\n","Brc1ccc(cc1)I","c1cc(ccc1Br)I","",1,"4-BROMOIODOBENZENE(1)","589-87-7(1)","2277","High Reliability","-"]
[2982,"[O-][N+](=O)c1cc(Br)ccc1\n[O-][N+](=O)c1cccc(Br)c1\n\n","Brc1cccc(c1)[N+](=O)[O-]","O=[N+]([O-])c1cccc(c1)Br","",1,"3-BROMO-1-NITROBENZENE(1)","585-79-5(1)","2252","High Reliability","-"]
[2983,"Oc1c(Br)cc(cc1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)Br)O","O=[N+]([O-])c1ccc(O)c(c1)Br","",1,"2-BROMO-4-NITROPHENOL(1)","5847-59-6(1)","3673","High Reliability","-"]
[2984,"Clc1ccc(Cl)cc1\n\n\n","Clc1ccc(cc1)Cl","c1cc(ccc1Cl)Cl","",1,"1,4-DICHLOROBENZENE(1)","106-46-7(1)","1000","High Reliability","-"]
[2985,"Clc1cc(Cl)ccc1\n\n\n","Clc1cccc(c1)Cl","c1cc(cc(c1)Cl)Cl","",1,"3-DICHLOROBENZENE(1)","541-73-1(1)","2085","Medium Reliability","-"]
[2986,"Clc1c(Cl)cccc1\nClc1ccccc1Cl\n\n","Clc1ccccc1Cl","c1ccc(c(c1)Cl)Cl","",1,"1,2-DICHLOROBENZENE(1)","95-50-1(1)","746","High Reliability","-"]
[2987,"Nc1c(Cl)cc(cc1Cl)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N","O=[N+]([O-])c1cc(c(N)c(c1)Cl)Cl","",1,"2,6-DICHLORO-4-NITROANILINE(1)","99-30-9(1)","843","High Reliability","-"]
[2988,"Cn1cnc2c1c(Cl)nc(Cl)n2\nCn1cnc2nc(Cl)nc(Cl)c12\n\n","Clc1nc(Cl)c2c(n1)ncn2C","n1cn(c2c1nc(nc2Cl)Cl)C","",1,"7H-Purine, 2,6-dichloro-7-methyl-(1)","2273-93-0(1)","3151","High Reliability","-"]
[2989,"Oc1cc(Cl)ccc1Cl\n\n\n","Clc1ccc(c(c1)O)Cl","Oc1cc(ccc1Cl)Cl","",1,"2,5-DICHLOROPHENOL(1)","583-78-8(1)","2242","High Reliability","-"]
[2990,"Oc1c(Cl)cc(Cl)cc1\n\n\n","Clc1ccc(c(c1)Cl)O","Oc1ccc(cc1Cl)Cl","",1,"2,4-DICHLOROPHENOL(1)","120-83-2(1)","1365","High Reliability","-"]
[2991,"Oc1cc(Cl)cc(Cl)c1\n\n\n","Oc1cc(Cl)cc(c1)Cl","Oc1cc(cc(c1)Cl)Cl","",1,"3,5-DICHLOROPHENOL(1)","591-35-5(1)","2303","High Reliability","-"]
[2992,"Oc1c(Cl)cccc1Cl\n\n\n","Clc1cccc(c1O)Cl","Oc1c(cccc1Cl)Cl","",1,"2,6-DICHLOROPHENOL(1)","87-65-0(1)","594","High Reliability","-"]
[2993,"Oc1cccc(Cl)c1Cl\n\n\n","Clc1c(O)cccc1Cl","Oc1cccc(c1Cl)Cl","",1,"2,3-DICHLOROPHENOL(1)","576-24-9(1)","2211","High Reliability","-"]
[2994,"Oc1ccc(Cl)c(Cl)c1\n\n\n","Oc1ccc(c(c1)Cl)Cl","Oc1ccc(c(c1)Cl)Cl","",1,"3,4-DICHLOROPHENOL(1)","95-77-2(1)","757","High Reliability","-"]
[2995,"Nc1c(Cl)cc(Cl)cc1Cl\n\n\n","Clc1cc(Cl)c(c(c1)Cl)N","Nc1c(cc(cc1Cl)Cl)Cl","",1,"2,4,6-TRICHLOROANILINE(1)","634-93-5(1)","2588","High Reliability","-"]
[2996,"Fc1cc(Cl)ccc1\n\n\n","Fc1cccc(c1)Cl","Fc1cccc(c1)Cl","",1,"M-CHLOROFLUOROBENZENE(1)","625-98-9(1)","2522","High Reliability","-"]
[2997,"Fc1c(Cl)cccc1\nFc1ccccc1Cl\n\n","Fc1ccccc1Cl","Fc1ccccc1Cl","",1,"1-CHLORO-2-FLUOROBENZENE(1)","348-51-6(1)","1746","High Reliability","-"]
[2998,"Clc1ccc(I)cc1\n\n\n","Clc1ccc(cc1)I","c1cc(ccc1Cl)I","",1,"4-CHLOROIODOBENZENE(1)","637-87-6(1)","2599","High Reliability","-"]
[2999,"Clc1cc(I)ccc1\n\n\n","Clc1cccc(c1)I","c1cc(cc(c1)I)Cl","",1,"3-CHLOROIODOBENZENE(1)","625-99-0(1)","2523","High Reliability","-"]
[3000,"Clc1c(I)cccc1\nClc1ccccc1I\n\n","Clc1ccccc1I","c1ccc(c(c1)Cl)I","",1,"2-CHLOROIODOBENZENE(1)","615-41-8(1)","2434","High Reliability","-"]
[3001,"ClS(=O)(=O)c1ccc(I)cc1\n\n\n","Ic1ccc(cc1)S(=O)(=O)Cl","O=S(=O)(c1ccc(cc1)I)Cl","",1,"Benzenesulfonyl chloride, 4-iodo-(1)","98-61-3(1)","821","High Reliability","-"]
[3002,"[O-][N+](=O)c1ccc(Cl)cc1\n\n\n","Clc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1)Cl","",1,"P-CHLORONITROBENZENE(1)","100-00-5(1)","866","High Reliability","-"]
[3003,"[O-][N+](=O)c1cccc(Cl)c1\n\n\n","Clc1cccc(c1)[N+](=O)[O-]","O=[N+]([O-])c1cccc(c1)Cl","",1,"3-CHLORO-NITROBENZENE(1)","121-73-3(1)","1378","High Reliability","-"]
[3004,"[O-][N+](=O)c1c(Cl)cccc1\n[O-][N+](=O)c1ccccc1Cl\n\n","[O-][N+](=O)c1ccccc1Cl","O=[N+]([O-])c1ccccc1Cl","",1,"2-CHLORO-1-NITROBENZENE(1)","88-73-3(1)","619","High Reliability","-"]
[3005,"Oc1c(cc(Cl)cc1)[N+]([O-])=O\nOc1ccc(Cl)cc1[N+]([O-])=O\n\n","Clc1ccc(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(ccc1(O))Cl","",1,"4-CHLORO-2-NITROPHENOL(1)","89-64-5(1)","635","High Reliability","-"]
[3006,"Fc1ccc(F)cc1\n\n\n","Fc1ccc(cc1)F","Fc1ccc(F)cc1","",1,"P-DIFLUOROBENZENE(1)","540-36-3(1)","2064","High Reliability","-"]
[3007,"Fc1cc(F)ccc1\n\n\n","Fc1cccc(c1)F","Fc1cccc(F)c1","",1,"M-DIFLUOROBENZENE(1)","372-18-9(1)","1762","High Reliability","-"]
[3008,"Fc1c(F)cccc1\nFc1ccccc1F\n\n","Fc1ccccc1F","Fc1ccccc1(F)","",1,"1,2-DIFLUOROBENZENE(1)","367-11-3(1)","1757","High Reliability","-"]
[3009,"NC1=NC2=NC=NC2C(=N1)C(F)(F)F\nNc1[nH]c(c-2ncnc2n1)C(F)(F)F\nNc1nc2nc[nH]c2c(n1)C(F)(F)F\n","NC1=NC2=NC=NC2C(=N1)C(F)(F)F","FC(F)(F)C2=NC(=NC1=NC=NC12)N","",1,"1H-Purin-2-amine, 6-(trifluoromethyl)-(1)","2993-20-6(1)","3310","Medium Reliability","-"]
[3010,"Fc1ccc(I)cc1\n\n\n","Fc1ccc(cc1)I","Fc1ccc(cc1)I","",1,"Benzene, 1-fluoro-4-iodo-(1)","352-34-1(1)","1748","High Reliability","-"]
[3011,"Oc1c(ccc(F)c1)[N+]([O-])=O\nOc1cc(F)ccc1[N+]([O-])=O\n\n","Fc1ccc(c(c1)O)[N+](=O)[O-]","O=[N+]([O-])c1ccc(F)cc1(O)","",1,"5-FLUORO-2-NITROPHENOL(1)","446-36-6(1)","1791","High Reliability","-"]
[3012,"Ic1ccc(I)cc1\n\n\n","Ic1ccc(cc1)I","c1cc(ccc1I)I","",1,"1,4-DIIODOBENZENE(1)","624-38-4(1)","2504","High Reliability","-"]
[3013,"Ic1cc(I)ccc1\n\n\n","Ic1cccc(c1)I","c1cc(cc(c1)I)I","",1,"1,3-DIIODOBENZENE(1)","626-00-6(1)","2524","High Reliability","-"]
[3014,"Ic1c(I)cccc1\nIc1ccccc1I\n\n","Ic1ccccc1I","c1ccc(c(c1)I)I","",1,"1,2-DIIODOBENZENE(1)","615-42-9(1)","2435","High Reliability","-"]
[3015,"N#Cc1cnccc1\n\n\n","N#Cc1cccnc1","N#Cc1cnccc1","",1,"3-CYANOPYRIDINE(1)","100-54-9(1)","885","High Reliability","-"]
[3016,"N#Cc1ccncc1\n\n\n","N#Cc1ccncc1","N#Cc1ccncc1","",1,"4-CYANOPYRIDINE(1)","100-48-1(1)","882","High Reliability","-"]
[3017,"[O-][N+](=O)c1ccc(cc1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1)[N+](=O)[O-]","",1,"P-DINITROBENZENE(1)","100-25-4(1)","872","High Reliability","-"]
[3018,"[O-][N+](=O)c1cc(ccc1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cccc(c1)[N+](=O)[O-]","O=[N+]([O-])c1cccc(c1)[N+](=O)[O-]","",1,"1,3-DINITROBENZENE(1)","99-65-0(1)","853","High Reliability","-"]
[3019,"[O-][N+](=O)c1c(cccc1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccccc1[N+](=O)[O-]","O=[N+]([O-])c1ccccc1[N+](=O)[O-]","",1,"O-DINITROBENZENE(1)","528-29-0(1)","2005","High Reliability","-"]
[3020,"Oc1cc(c(cc1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]","",1,"3,4-DINITROPHENOL(1)","577-71-9(1)","2215","High Reliability","-"]
[3021,"Oc1c(cc(cc1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1ccc(O)c(c1)[N+](=O)[O-]","",1,"2,4-DINITROPHENOL(1)","51-28-5(1)","42","High Reliability","-"]
[3022,"Oc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","Oc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(O)cc(c1)[N+](=O)[O-]","",1,"3,5-DINITROPHENOL(1)","586-11-8(1)","2256","High Reliability","-"]
[3023,"Oc1c(ccc(c1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-]","O=[N+]([O-])c1ccc(c(O)c1)[N+](=O)[O-]","",1,"2,5-DINITROPHENOL(1)","329-71-5(1)","1737","High Reliability","-"]
[3024,"Oc1c(cccc1[N+]([O-])=O)[N+]([O-])=O\n\n\n","Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cccc(c1(O))[N+](=O)[O-]","",1,"2,6-DINITROPHENOL(1)","573-56-8(1)","2206","High Reliability","-"]
[3025,"Oc1cc(O)c(cc1[N+]([O-])=O)[N+]([O-])=O\n\n\n","Oc1cc(O)c(cc1[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(c(O)cc1(O))[N+](=O)[O-]","",1,"1,3-Benzenediol, 4,6-dinitro-(1)","616-74-0(1)","2449","High Reliability","-"]
[3026,"c1cnc2ncncc2n1\n\n\n","c1ncc2c(n1)nccn2","n1cnc2nccnc2(c1)","",1,"PTERIDINE(1)","91-18-9(1)","665","High Reliability","-"]
[3027,"O=c1nc[nH]c2nccnc12\nOc1ncnc2nccnc12\n\n","O=c1nc[nH]c2c1nccn2","O=C1N=CNc2nccnc12","",1,"4-Hydroxypteridine(1)","700-47-0(1)","2648","Medium Reliability","-"]
[3028,"Oc1nc2nccnc2c(O)n1\nO=c1[nH]c(=O)c2nccnc2[nH]1\n\n","Oc1nc2nccnc2c(n1)O","Oc1nc(O)c2nccnc2(n1)","",1,"Lumazine(1)","487-21-8(1)","1865","High Reliability","-"]
[3029,"S=c1nc[nH]c2nccnc12\n\n\n","S=c1nc[nH]c2c1nccn2","n1ccnc2c1NC=NC2=S","",1,"4(1H)-Pteridinethione(1)","65882-61-3(1)","5054","Medium Reliability","-"]
[3030,"O=C1C=CC(=O)C=C1\n\n\n","O=C1C=CC(=O)C=C1","O=C1C=CC(=O)C=C1","",1,"2,5-CYCLOHEXADIENE-1,4-DIONE(1)","106-51-4(1)","1005","High Reliability","-"]
[3031,"OC(=O)c1ccc(o1)C(O)=O\n\n\n","OC(=O)c1ccc(o1)C(=O)O","O=C(O)c1oc(cc1)C(=O)O","",1,"2,5-Furandicarboxylic acid(1)","3238-40-2(1)","3355","High Reliability","-"]
[3032,"Brc1ccccc1\n\n\n","Brc1ccccc1","c1ccc(cc1)Br","",1,"BROMOBENZENE(1)","108-86-1(1)","1106","High Reliability","-"]
[3033,"Nc1c(Br)ccc(c1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)N)Br","O=[N+]([O-])c1ccc(c(N)c1)Br","",1,"Benzenamine, 2-bromo-5-nitro-(1)","10403-47-1(1)","3917","High Reliability","-"]
[3034,"Oc1ccc(Br)cc1\n\n\n","Oc1ccc(cc1)Br","Oc1ccc(cc1)Br","",1,"P-BROMOPHENOL(1)","106-41-2(1)","996","High Reliability","-"]
[3035,"Oc1cc(Br)ccc1\n\n\n","Oc1cccc(c1)Br","Oc1cccc(c1)Br","",1,"M-BROMOPHENOL(1)","591-20-8(1)","2299","High Reliability","-"]
[3036,"Clc1ccccc1\n\n\n","Clc1ccccc1","c1ccc(cc1)Cl","",1,"CHLOROBENZENE(1)","108-90-7(1)","1110","High Reliability","-"]
[3037,"Nc1ccc(Cl)cc1Cl\n\n\n","Clc1ccc(c(c1)Cl)N","Nc1ccc(cc1Cl)Cl","",1,"2,4-DICHLOROANILINE(1)","554-00-7(1)","2139","High Reliability","-"]
[3038,"Nc1cc(Cl)cc(Cl)c1\n\n\n","Nc1cc(Cl)cc(c1)Cl","Nc1cc(cc(c1)Cl)Cl","",1,"3,5-DICHLOROANILINE(1)","626-43-7(1)","2528","High Reliability","-"]
[3039,"Nc1cc(Cl)c(Cl)cc1\n\n\n","Nc1ccc(c(c1)Cl)Cl","Nc1ccc(c(c1)Cl)Cl","",1,"3,4-DICHLOROANILINE(1)","95-76-1(1)","756","High Reliability","-"]
[3040,"Nc1c(cc(Cl)cc1)[N+]([O-])=O\nNc1ccc(Cl)cc1[N+]([O-])=O\n\n","Clc1ccc(c(c1)[N+](=O)[O-])N","O=[N+]([O-])c1cc(ccc1(N))Cl","",1,"4-CHLORO-2-NITROANILINE(1)","89-63-4(1)","634","High Reliability","-"]
[3041,"Oc1ccc(Cl)cc1\n\n\n","Oc1ccc(cc1)Cl","Oc1ccc(cc1)Cl","",1,"4-CHLOROPHENOL(1)","106-48-9(1)","1002","High Reliability","-"]
[3042,"Oc1cc(Cl)ccc1\n\n\n","Oc1cccc(c1)Cl","Oc1cccc(c1)Cl","",1,"3-CHLOROPHENOL(1)","108-43-0(1)","1085","High Reliability","-"]
[3043,"Oc1ccccc1Cl\n\n\n","Oc1ccccc1Cl","Oc1ccccc1Cl","",2,"2-CHLOROPHENOL(1), CHLOROPHENOL(1)","95-57-8(1), 25167-80-0(1)","751, 4381","High Reliability","Checked on PubChem"]
[3044,"Oc1cc(Cl)c(O)cc1\n\n\n","Oc1ccc(c(c1)Cl)O","Oc1ccc(O)c(c1)Cl","",1,"CHLOROHYDROQUINONE(1)","615-67-8(1)","2439","High Reliability","-"]
[3045,"Fc1ccccc1\n\n\n","Fc1ccccc1","Fc1ccccc1","",1,"FLUOROBENZENE(1)","462-06-6(1)","1807","High Reliability","-"]
[3046,"Ic1ccccc1\n\n\n","Ic1ccccc1","c1ccc(cc1)I","",1,"IODOBENZENE(1)","591-50-4(1)","2305","High Reliability","-"]
[3047,"Nc1c(I)ccc(c1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)N)I","O=[N+]([O-])c1ccc(c(N)c1)I","",1,"Benzenamine, 2-iodo-5-nitro-(1)","5459-50-7(1)","3617","High Reliability","-"]
[3048,"O=Ic1ccccc1\n\n\n","O=[I]c1ccccc1","O=Ic1ccccc1","",1,"Benzene, iodosyl-(1)","536-80-1(1)","2044","High Reliability","-"]
[3049,"O=I(=O)c1ccccc1\n\n\n","O=[I](=O)c1ccccc1","[ERROR]","Conversion from SMILES: unable to generate SMILES string (Unable to run canonical labeler for the SMILES (For input string: \"-135300-4\"))",1,"Benzene, iodyl-(1)","696-33-3(1)","2642","Medium Reliability","-"]
[3050,"[nH]1nnc2c1cccc2\n[nH]1nnc2ccccc12\n[nH]1nc2ccccc2n1\n","c1ccc2c(c1)[nH]nn2","n1nc2ccccc2([nH]1)","",1,"1H-BENZOTRIAZOLE(1)","95-14-7(1)","739","High Reliability","-"]
[3051,"[O-][N+](=O)Nc1ccc(cc1)[N+]([O-])=O\n\n\n","[O-][N+](=O)Nc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])Nc1ccc(cc1)[N+](=O)[O-]","",1,"Benzenamine, N,4-dinitro-(1)","20020-13-7(1)","4246","Medium Reliability","-"]
[3052,"Nc1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(N)cc(c1(O))[N+](=O)[O-]","",1,"Phenol, 4-amino-2,6-dinitro-(1)","17973-92-1(1)","4175","High Reliability","-"]
[3053,"Nc1c(O)c(cc(c1)[N+]([O-])=O)[N+]([O-])=O\nNc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O\n\n","[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(N)c(O)c(c1)[N+](=O)[O-]","",1,"2-AMINO-4,6-DINITROPHENOL(1)","96-91-3(1)","787","High Reliability","-"]
[3054,"Nc1cc2c(snn2)cc1\nNc1ccc2snnc2c1\n\n","Nc1ccc2c(c1)nns2","n1nsc2ccc(N)cc12","",1,"1,2,3-Benzothiadiazol-5-amine(1)","1753-29-3(1)","2981","Medium Reliability","-"]
[3055,"Nc1nc2nccnc2cn1\nNc1ncc2nccnc2n1\n\n","Nc1ncc2c(n1)nccn2","n1ccnc2cnc(nc12)N","",1,"2-Pteridinamine(1)","700-81-2(1)","2649","Medium Reliability","-"]
[3056,"Nc1nc(=O)c2c([nH]1)[nH]c(=O)c(=O)[nH]2\n\n\n","Nc1nc(=O)c2c([nH]1)[nH]c(=O)c(=O)[nH]2","O=C1N=C(N)NC=2NC(=O)C(=O)NC1=2","",1,"Leucopterin(1)","492-11-5(1)","1879","High Reliability","-"]
[3057,"OC(=O)c1ccccn1\n\n\n","OC(=O)c1ccccn1","O=C(O)c1ncccc1","",1,"PICOLINIC ACID(1)","98-98-6(1)","834","High Reliability","-"]
[3058,"[O-][N+](=O)c1ccccc1\n\n\n","[O-][N+](=O)c1ccccc1","O=[N+]([O-])c1ccccc1","",1,"NITROBENZENE(1)","98-95-3(1)","832","Medium Reliability","-"]
[3059,"OC(=O)c1c[n+]([O-])ccc1\nOC(=O)C1=C[NH+2]([O-])[CH-]C=C1\n\n","[O-][NH+2]1[CH-]C=CC(=C1)C(=O)O","O=C(O)C=1C=C[CH-][NH+2]([O-])C=1","",1,"N-OXIDENICOTINIC ACID(1)","2398-81-4(1)","3192","Medium Reliability","-"]
[3060,"Oc1cccc(c1)[N+]([O-])=O\n\n\n","Oc1cccc(c1)[N+](=O)[O-]","O=[N+]([O-])c1cccc(O)c1","",1,"3-NITROPHENOL(1)","554-84-7(1)","2143","High Reliability","-"]
[3061,"Oc1ccc(cc1)[N+]([O-])=O\n\n\n","Oc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(O)cc1","",1,"4-NITROPHENOL(1)","100-02-7(1)","868","High Reliability","-"]
[3062,"Oc1c(cccc1)[N+]([O-])=O\nOc1ccccc1[N+]([O-])=O\n\n","[O-][N+](=O)c1ccccc1O","O=[N+]([O-])c1ccccc1(O)","",1,"2-NITROPHENOL(1)","88-75-5(1)","621","High Reliability","-"]
[3063,"Oc1cccc(O)c1[N+]([O-])=O\n\n\n","[O-][N+](=O)c1c(O)cccc1O","O=[N+]([O-])c1c(O)cccc1(O)","",1,"2-NITRORESORCINOL(1)","601-89-8(1)","2367","High Reliability","-"]
[3064,"SC(=O)c1cnccc1\n\n\n","SC(=O)c1cccnc1","O=C(c1cnccc1)S","",1,"3-Pyridinecarbothioic acid(1)","51087-03-7(1)","4800","Medium Reliability","-"]
[3065,"c1ccccc1\n\n\n","c1ccccc1","c1ccccc1","",1,"BENZENE(1)","71-43-2(1)","286","High Reliability","-"]
[3066,"ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl\n\n\n","ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl","C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl","",4,"GAMMA-HEXACHLOROCYCLOHEXANE(1), ALPHA-HEXACHLOROCYCLOHEXANE(1), BETA-HEXACHLOROCYCLOHEXANE(1), DELTA-HEXACHLOROCYCLOHEXANE(1)","58-89-9(1), 319-84-6(1), 319-85-7(1), 319-86-8(1)","159, 1725, 1726, 1727","High Reliability","Stereochemistry removed"]
[3067,"Nc1ccc(Cl)cc1\n\n\n","Nc1ccc(cc1)Cl","Nc1ccc(cc1)Cl","",1,"4-CHLOROANILINE(1)","106-47-8(1)","1001","High Reliability","-"]
[3068,"Nc1cc(Cl)ccc1\n\n\n","Nc1cccc(c1)Cl","Nc1cccc(c1)Cl","",1,"3-CHLOROANILINE(1)","108-42-9(1)","1084","High Reliability","-"]
[3069,"Nc1c(Cl)cccc1\nNc1ccccc1Cl\n\n","Nc1ccccc1Cl","Nc1ccccc1Cl","",1,"2-CHLOROANILINE(1)","95-51-2(1)","747","High Reliability","-"]
[3070,"Cn1cc(I)ccc1=O\n\n\n","Ic1ccc(=O)n(c1)C","O=C1C=CC(=CN1C)I","",1,"2(1H)-Pyridinone, 5-iodo-1-methyl-(1)","60154-05-4(1)","4982","Medium Reliability","-"]
[3071,"NC(=O)c1cccnc1\n\n\n","NC(=O)c1cccnc1","O=C(N)c1cnccc1","",1,"NICOTINAMIDE(1)","98-92-0(1)","831","High Reliability","-"]
[3072,"NC(=O)c1ccccn1\n\n\n","NC(=O)c1ccccn1","O=C(N)c1ncccc1","",1,"2-PYRIDINECARBOXAMIDE(1)","1452-77-3(1)","2904","High Reliability","-"]
[3073,"Nc1ccc(cc1)[N+]([O-])=O\n\n\n","Nc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(N)cc1","",1,"4-NITROANILINE(1)","100-01-6(1)","867","High Reliability","-"]
[3074,"Nc1cc(ccc1)[N+]([O-])=O\nNc1cccc(c1)[N+]([O-])=O\n\n","Nc1cccc(c1)[N+](=O)[O-]","O=[N+]([O-])c1cccc(N)c1","",1,"3-NITROANILINE(1)","99-09-2(1)","839","High Reliability","-"]
[3075,"Nc1ccccc1[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccccc1N","O=[N+]([O-])c1ccccc1(N)","",1,"2-NITROANILINE(1)","88-74-4(1)","620","High Reliability","-"]
[3076,"OC(=O)C=Cc1c[nH]cn1\nOC(=O)C=Cc1[nH]cnc1\n\n","OC(=O)C=Cc1c[nH]cn1","O=C(O)C=Cc1nc[nH]c1","",1,"2-Propenoic acid, 3-(1H-imidazol-4-yl)-(1)","104-98-3(1)","963","Medium Reliability","Stereochemistry removed"]
[3077,"[O-][N+](=O)Nc1ccccc1\n\n\n","[O-][N+](=O)Nc1ccccc1","O=[N+]([O-])Nc1ccccc1","",1,"Benzenamine, N-nitro-(1)","645-55-6(1)","2612","High Reliability","-"]
[3078,"Nc1c(O)ccc(c1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)N)O","O=[N+]([O-])c1ccc(O)c(N)c1","",1,"2-AMINO-4-NITROPHENOL(1)","99-57-0(1)","850","High Reliability","-"]
[3079,"CC(=O)OC1C(=O)NC(=O)NC1=O\n\n\n","O=C1NC(=O)C(C(=O)N1)OC(=O)C","O=C1NC(=O)C(OC(=O)C)C(=O)N1","",1,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)-(1)","53039-86-4(1)","4868","High Reliability","-"]
[3080,"Cc1c2[nH]cnc2ncn1\nCc1[nH]cnc-2ncnc12\n\n","Cc1ncnc2c1[nH]cn2","n1cnc(c2[nH]cnc12)C","",1,"1H-Purine, 6-methyl-(1)","2004-03-7(1)","3063","High Reliability","-"]
[3081,"Cc1nc2ncncc2[nH]1\nCc1nc-2c[nH]cnc2n1\n\n","Cc1nc2c([nH]1)cncn2","n1cnc2nc([nH]c2(c1))C","",1,"1H-Purine, 8-methyl-(1)","934-33-8(1)","2756","High Reliability","-"]
[3082,"Cn1c2c(cnc1=O)nc(O)[nH]2\nCn1c(=O)ncc2c1[nH]c(=O)[nH]2\n\n","Oc1nc2c([nH]1)n(C)c(=O)nc2","O=C2N=Cc1nc(O)[nH]c1N2C","",1,"Purine-2,8(3H,9H)-dione, 3-methyl-(1)","89418-24-6(1)","5338","Medium Reliability","-"]
[3083,"Cn1c(=O)[nH]c2c([nH]c(=O)[nH]2)c1=O\n\n\n","O=c1[nH]c2c([nH]1)c(=O)n(c(=O)[nH]2)C","O=C1NC=2NC(=O)N(C(=O)C=2(N1))C","",1,"1-METHYL URIC ACID(1)","708-79-2(1)","2651","Medium Reliability","-"]
[3084,"[O-][N+](=O)c1cnc(s1)N2CCNC2=O\n\n\n","O=C1NCCN1c1ncc(s1)[N+](=O)[O-]","O=C1NCCN1c2ncc([N+](=O)[O-])s2","",1,"NIRIDAZOLE(1)","61-57-4(1)","199","High Reliability","-"]
[3085,"NNc1ncnc2c1nccn2\nNN=c1nc[nH]c2nccnc12\n\n","NNc1ncnc2c1nccn2","n1cnc(NN)c2nccnc12","",1,"4(1H)-Pteridinone, hydrazone(1)","77632-11-2(1)","5243","Medium Reliability","-"]
[3086,"Oc1ccccc1\n\n\n","Oc1ccccc1","Oc1ccccc1","",1,"PHENOL(1)","108-95-2(1)","1114","High Reliability","-"]
[3087,"Oc1ccc(O)cc1.O=C1C=CC(=O)C=C1\nOc1ccc(O)cc1\n\n","Oc1ccc(cc1)O","Oc1ccc(O)cc1","",2,"QUINHYDRONE(1), HYDROQUINONE(1)","106-34-3(1), 123-31-9(1)","990, 1412","High Reliability","Organic counterion"]
[3088,"Oc1cc(O)ccc1\n\n\n","Oc1cccc(c1)O","Oc1cccc(O)c1","",1,"RESORCINOL(1)","108-46-3(1)","1088","High Reliability","-"]
[3089,"Oc1c(O)cccc1\nOc1ccccc1O\n\n","Oc1ccccc1O","Oc1ccccc1(O)","",1,"CATECHOL(1)","120-80-9(1)","1363","High Reliability","-"]
[3090,"Cc1ccc(o1)C(O)=O\n\n\n","Cc1ccc(o1)C(=O)O","O=C(O)c1oc(cc1)C","",1,"2-Furancarboxylic acid, 5-methyl-(1)","1917-15-3(1)","3022","High Reliability","-"]
[3091,"CC1=CC(=O)CC(=O)O1\n\n\n","O=C1CC(=O)C=C(O1)C","O=C1OC(=CC(=O)C1)C","",1,"2H-Pyran-2,4(3H)-dione, 6-methyl-(1)","541-98-0(1)","2088","High Reliability","-"]
[3092,"Cc1c(O)c(=O)cco1\n\n\n","O=c1ccoc(c1O)C","O=C1C=COC(=C1(O))C","",1,"4H-PYRAN-4-ONE, 3-HYDROXY-2-METHYL-(1)","118-71-8(1)","1322","High Reliability","-"]
[3093,"Oc1cc(O)cc(O)c1\n\n\n","Oc1cc(O)cc(c1)O","Oc1cc(O)cc(O)c1","",1,"1,3,5-TRIHYDROXYBENZENE(1)","108-73-6(1)","1098","High Reliability","-"]
[3094,"Oc1cccc(O)c1O\n\n\n","Oc1c(O)cccc1O","Oc1cccc(O)c1(O)","",1,"1,2,3-TRIHYDROXYBENZENE(1)","87-66-1(1)","595","High Reliability","-"]
[3095,"OC(=O)C=CC=CC(O)=O\n\n\n","OC(=O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O","",2,"2,4-Hexadienedioic acid,(1), 2,4-HEXADIENEDIOIC ACID, (E,E)-(1)","505-70-4(1), 3588-17-8(1)","1934, 3402","Medium Reliability, High Reliability","Stereochemistry removed"]
[3096,"OC(=O)CC(=CC(O)=O)C(O)=O\n\n\n","OC(=O)CC(=CC(=O)O)C(=O)O","O=C(O)C=C(C(=O)O)CC(=O)O","",2,"1-Propene-1,2,3-tricarboxylic acid(1), 1-Propene-1,2,3-tricarboxylic acid, (Z)-(1)","499-12-7(1), 585-84-2(1)","1905, 2253","High Reliability","Stereochemistry removed"]
[3097,"CC(=O)c1cccs1\n\n\n","CC(=O)c1cccs1","O=C(c1cccs1)C","",1,"2-ACETYLTHIOPHENE(1)","88-15-3(1)","611","High Reliability","-"]
[3098,"Sc1ccccc1\n\n\n","Sc1ccccc1","c1ccc(cc1)S","",1,"THIOPHENOL(1)","108-98-5(1)","1115","High Reliability","-"]
[3099,"CNC(=O)N(C)c1nnc(s1)C(F)(F)F\n\n\n","CNC(=O)N(c1nnc(s1)C(F)(F)F)C","O=C(NC)N(c1nnc(C(F)(F)F)s1)C","",1,"THIAZAFLURON(1)","25366-23-8(1)","4398","High Reliability","-"]
[3100,"CCOC(=O)CC(=O)C(F)(F)F\n\n\n","CCOC(=O)CC(=O)C(F)(F)F","O=C(OCC)CC(=O)C(F)(F)F","",1,"Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl est(1)","372-31-6(1)","1763","Medium Reliability","-"]
[3101,"Cc1ccncc1\n\n\n","Cc1ccncc1","n1ccc(cc1)C","",1,"4-METHYLPYRIDINE(1)","108-89-4(1)","1109","High Reliability","-"]
[3102,"Cc1cccnc1\n\n\n","Cc1cccnc1","n1cccc(c1)C","",1,"3-METHYLPYRIDINE(1)","108-99-6(1)","1116","High Reliability","-"]
[3103,"Cc1ncccc1\n\n\n","Cc1ccccn1","n1ccccc1C","",1,"2-METHYLPYRIDINE(1)","109-06-8(1)","1120","High Reliability","-"]
[3104,"Nc1ccccc1\n\n\n","Nc1ccccc1","Nc1ccccc1","",1,"ANILINE(1)","62-53-3(1)","208","High Reliability","-"]
[3105,"NNC(=O)c1ccncc1\n\n\n","NNC(=O)c1ccncc1","O=C(NN)c1ccncc1","",1,"ISONIAZID(1)","54-85-3(1)","79","High Reliability","-"]
[3106,"NNC(=O)c1cccnc1\n\n\n","NNC(=O)c1cccnc1","O=C(NN)c1cnccc1","",1,"3-Pyridinecarboxylic acid, hydrazide(1)","553-53-7(1)","2136","High Reliability","-"]
[3107,"Cc1cc[n+]([O-])cc1\n\n\n","[O-][n+]1ccc(cc1)C","[O-][n+]1ccc(cc1)C","",1,"4-METHYL-N-OXIDEPYRIDINE(1)","1003-67-4(1)","2793","Medium Reliability","-"]
[3108,"Cc1ccc[n+]([O-])c1\nCC1=CC=C[NH+2]([O-])[CH-]1\n\n","[O-][NH+2]1C=CC=C([CH-]1)C","[O-][NH+2]1C=CC=C([CH-]1)C","",1,"3-METHYL-N-OXIDEPYRIDINE(1)","1003-73-2(1)","2794","Medium Reliability","-"]
[3109,"Cn1ccccc1=O\n\n\n","O=c1ccccn1C","O=C1C=CC=CN1C","",1,"2(1H)-PYRIDINONE, 1-METHYL-(1)","694-85-9(1)","2641","High Reliability","-"]
[3110,"O=C1CCCC1C#N\n\n\n","N#CC1CCCC1=O","N#CC1C(=O)CCC1","",1,"Cyclopentanecarbonitrile, 2-oxo-(1)","2941-29-9(1)","3299","High Reliability","-"]
[3111,"Nc1ccc(O)cc1\n\n\n","Nc1ccc(cc1)O","Oc1ccc(N)cc1","",1,"PHENOL, 4-AMINO-(1)","123-30-8(1)","1411","High Reliability","-"]
[3112,"Nc1cc(O)ccc1\n\n\n","Nc1cccc(c1)O","Oc1cccc(N)c1","",1,"PHENOL, 3-AMINO-(1)","591-27-5(1)","2302","High Reliability","-"]
[3113,"Nc1c(O)cccc1\nNOc1ccccc1\nNc1ccccc1O\n","Nc1ccccc1O","Oc1ccccc1(N)","",1,"o-aminophenol(1)","95-55-6(1)","750","High Reliability","Name verified in PubChem"]
[3114,"OCc1ccncc1\n\n\n","OCc1ccncc1","OCc1ccncc1","",1,"4-PYRIDINEMETHANOL(1)","586-95-8(1)","2261","High Reliability","-"]
[3115,"OCc1cccnc1\n\n\n","OCc1cccnc1","OCc1cnccc1","",1,"3-PYRIDINEMETHANOL(1)","100-55-0(1)","886","High Reliability","-"]
[3116,"ONc1ccccc1\n\n\n","ONc1ccccc1","ONc1ccccc1","",1,"PHENYLHYDROXYLAMINE(1)","100-65-2(1)","891","High Reliability","-"]
[3117,"COC(=O)c1c(N)ccs1\n\n\n","COC(=O)c1sccc1N","O=C(OC)c1c(N)ccs1","",1,"METHYL 3-AMINOTHIOPHENE-2-CARBOXYLATE(1)","22288-78-4(1)","4317","High Reliability","-"]
[3118,"NS(=O)(=O)c1ccccc1\n\n\n","NS(=O)(=O)c1ccccc1","O=S(=O)(N)c1ccccc1","",1,"BENZENESULFONAMIDE(1)","98-10-2(1)","812","High Reliability","-"]
[3119,"Cc1csc(=S)n1CC(O)=O\n\n\n","Cc1csc(=S)n1CC(=O)O","O=C(O)CN1C(=CSC1=S)C","",1,"3(2H)-Thiazoleacetic acid, 4-methyl-2-thioxo-(1)","31090-12-7(1)","4519","Medium Reliability","-"]
[3120,"Nc1ccc(cc1)S(O)(=O)=O\n\n\n","Nc1ccc(cc1)S(=O)(=O)O","O=S(=O)(O)c1ccc(N)cc1","",1,"BENZENESULFONIC ACID, 4-AMINO-(1)","121-57-3(1)","1375","High Reliability","-"]
[3121,"Nc1cc(ccc1O)S(O)(=O)=O\n\n\n","Oc1ccc(cc1N)S(=O)(=O)O","O=S(=O)(O)c1ccc(O)c(N)c1","",1,"2-Aminophenol-4-sulfonic acid(1)","98-37-3(1)","815","High Reliability","-"]
[3122,"OP(O)(=O)c1ccccc1\n\n\n","OP(=O)(c1ccccc1)O","O=P(O)(O)c1ccccc1","",1,"PHENYLPHOSPHONIC ACID(1)","1571-33-1(1)","2930","High Reliability","-"]
[3123,"C1C=CCC=C1\n\n\n","C1=CCC=CC1","C1=CCC=CC1","",1,"1,4-CYCLOHEXADIENE(1)","628-41-1(1)","2554","High Reliability","-"]
[3124,"CCC(CC#N)C#N\n\n\n","N#CCC(C#N)CC","N#CCC(C#N)CC","",1,"Butanedinitrile, ethyl-(1)","17611-82-4(1)","4162","High Reliability","-"]
[3125,"Nc1ccc(N)cc1\n\n\n","Nc1ccc(cc1)N","Nc1ccc(N)cc1","",1,"1,4-BENZENEDIAMINE(1)","106-50-3(1)","1004","High Reliability","-"]
[3126,"Nc1cc(N)ccc1\n\n\n","Nc1cccc(c1)N","Nc1cccc(N)c1","",1,"1,3-BENZENEDIAMINE(1)","108-45-2(1)","1087","High Reliability","-"]
[3127,"Nc1c(N)cccc1\nNc1ccccc1N\n\n","Nc1ccccc1N","Nc1ccccc1(N)","",1,"1,2-BENZENEDIAMINE(1)","95-54-5(1)","749","High Reliability","-"]
[3128,"N#CCCCCC#N\n\n\n","N#CCCCCC#N","N#CCCCCC#N","",1,"ADIPONITRILE(1)","111-69-3(1)","1226","High Reliability","-"]
[3129,"NCc1ccncc1\n\n\n","NCc1ccncc1","n1ccc(cc1)CN","",1,"4-PYRIDINEMETHANEAMINE(1)","3731-53-1(1)","3422","High Reliability","-"]
[3130,"NCc1ccccn1\n\n\n","NCc1ccccn1","n1ccccc1CN","",1,"2-PYRIDINEMETHANEAMINE(1)","3731-51-9(1)","3421","High Reliability","-"]
[3131,"NNc1ccccc1\n[H+].[Cl-].NNc1ccccc1\n\n","NNc1ccccc1","NNc1ccccc1","",1,"PHENYL HYDRAZINE(1)","100-63-0(1)","889","High Reliability","Differences in counterions"]
[3132,"CCc1c[nH]c(=O)[nH]c1=O\n\n\n","CCc1c[nH]c(=O)[nH]c1=O","O=C1NC=C(C(=O)N1)CC","",1,"2,4(1H,3H)-Pyrimidinedione, 5-ethyl-(1)","4212-49-1(1)","3472","High Reliability","-"]
[3133,"Nc1ccc(cc1)S(N)(=O)=O\n\n\n","Nc1ccc(cc1)S(=O)(=O)N","O=S(=O)(N)c1ccc(N)cc1","",1,"SULFANILAMIDE(1)","63-74-1(1)","220","High Reliability","-"]
[3134,"NNc1cc(ccc1)S(O)(=O)=O\n\n\n","NNc1cccc(c1)S(=O)(=O)O","O=S(=O)(O)c1cccc(c1)NN","",1,"Benzenesulfonic acid, 3-hydrazino-(1)","138-30-7(1)","1538","High Reliability","-"]
[3135,"NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O\n\n\n","NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N","O=S(=O)(N)c1ccc(cc1)S(=O)(=O)N","",1,"1,4-BENZENEDISULFONAMIDE(1)","16993-45-6(1)","4127","Medium Reliability","-"]
[3136,"NS(=O)(=O)c1cc(ccc1)S(N)(=O)=O\n\n\n","NS(=O)(=O)c1cccc(c1)S(=O)(=O)N","O=S(=O)(N)c1cccc(c1)S(=O)(=O)N","",1,"1,3-BENZENEDISULFONAMIDE(1)","3701-01-7(1)","3418","High Reliability","-"]
[3137,"[H]C12OCC(O[N+]([O-])=O)C1([H])OCC2O[N+]([O-])=O\n[O-][N+](=O)OC1COC2C(COC12)O[N+]([O-])=O\n\n","[O-][N+](=O)OC1COC2C1OCC2O[N+](=O)[O-]","O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12","",1,"D-GLUCITOL, 1,4:3,6-DIANHYDRO-, DINITRATE(1)","87-33-2(1)","586","High Reliability","Stereochemistry removed"]
[3138,"CCNC(=O)Nc1ncc(s1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cnc(s1)NC(=O)NCC","O=C(Nc1ncc([N+](=O)[O-])s1)NCC","",1,"NITHIAZIDE(1)","139-94-6(1)","1551","High Reliability","-"]
[3139,"Cn1c(COC(N)=O)ncc1[N+]([O-])=O\n\n\n","NC(=O)OCc1ncc(n1C)[N+](=O)[O-]","O=C(OCc1ncc(n1C)[N+](=O)[O-])N","",1,"RONIDAZOLE(1)","7681-76-7(1)","3868","High Reliability","-"]
[3140,"CC=CC=CC(O)=O\n\n\n","CC=CC=CC(=O)O","O=C(O)C=CC=CC","",1,"SORBIC ACID(1)","110-44-1(1)","1172","High Reliability","Stereochemistry removed"]
[3141,"CC(=O)C1CCOC1=O\n\n\n","CC(=O)C1CCOC1=O","O=C1OCCC1C(=O)C","",1,"3-acetyl-4,5-dihydro-2(3H)-furanone(1)","517-23-7(1)","1975","High Reliability","-"]
[3142,"CCC(=O)CC(=O)C(O)=O\n\n\n","CCC(=O)CC(=O)C(=O)O","O=C(O)C(=O)CC(=O)CC","",1,"Hexanoic acid, 2,4-dioxo-(1)","4383-93-1(1)","3487","Medium Reliability","-"]
[3143,"CC1CC1(C(O)=O)C(O)=O\n\n\n","CC1CC1(C(=O)O)C(=O)O","O=C(O)C1(C(=O)O)(CC1(C))","",1,"1,1-Cyclopropanedicarboxylic acid, 2-methyl-(1)","10180-00-4(1)","3904","Medium Reliability","-"]
[3144,"COC(=O)C=CC(=O)OC\nCOC(=O)C=CC([O-])=O\n\n","COC(=O)C=CC(=O)OC","O=C(OC)C=CC(=O)OC","",1,"methylmaleate(1)","624-48-6(1)","2505","High Reliability","Stereochemistry removed, Name verified in PubChem"]
[3145,"OC(=O)CCC=CC(O)=O\nOC(=O)CC=CCC(O)=O\n\n","OC(=O)CCC=CC(=O)O","O=C(O)C=CCCC(=O)O","",2,"2-Hexenedioic acid(1), Hex-3-ene-dioic acid(1)","2583-24-6(1), 4436-74-2(1)","3244, 3497","Medium Reliability","Stereochemistry removed"]
[3146,"OC(=O)C1CCC(SS1)C(O)=O\n\n\n","OC(=O)C1CCC(SS1)C(=O)O","O=C(O)C1CCC(C(=O)O)SS1","",2,"1,2-Dithiane-3,6-dicarboxylic acid, cis-(1), 1,2-Dithiane-3,6-dicarboxylic acid, trans-(1)","28463-60-7(1), 32737-66-9(1)","4464, 4547","Medium Reliability","Stereochemistry removed"]
[3147,"[H]C1(OC(=O)C(O)=C1O)C(O)CO\nOCC(O)C1OC(=C(O)C1=O)O\nOCC(O)C1OC(=O)C(O)=C1O\nOCC(O)C1OC(=C(O)C1=O)O, [Na+].OCC(O)C1OC(=O)[C-](O)C1=O","OCC(C1OC(=O)C(=C1O)O)O","O=C1OC(C(O)=C1(O))C(O)CO","",2,"ASCORBIC ACID(1), ISOASCORBIC ACID(1)","50-81-7(1), 89-65-6(1)","33, 636","High Reliability","Differences in counterions, Stereochemistry removed"]
[3148,"OC(=O)CC(CC(O)=O)C(O)=O\n\n\n","OC(=O)C(CC(=O)O)CC(=O)O","O=C(O)CC(C(=O)O)CC(=O)O","",1,"1,2,3-Propanetricarboxylic acid(1)","99-14-9(1)","840","High Reliability","-"]
[3149,"OC(=O)CC(O)(CC(O)=O)C(O)=O\n[K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O\nO.OC(=O)CC(O)(CC(O)=O)C(O)=O\n","OC(=O)C(CC(=O)O)(CC(=O)O)O","O=C(O)CC(O)(C(=O)O)CC(=O)O","",3,"CITRIC ACID(1), Potassium Citrate(1), 1,2,3-propanetricarboxylicacid,2-hydroxy-,mon(1)","77-92-9(1), 866-84-2(1), 5949-29-1(1)","427, 2719, 3682","High Reliability","Manual Check passed"]
[3150,"CCc1sccc1\n\n\n","CCc1cccs1","c1cc(CC)sc1","",1,"2-ETHYLTHIOPHENE(1)","872-55-9(1)","2725","High Reliability","Checked on PubChem, Checked on ChemID"]
[3151,"NC(=O)CC(NC(=O)CCl)C(O)=O\n\n\n","ClCC(=O)NC(C(=O)O)CC(=O)N","O=C(O)C(NC(=O)CCl)CC(=O)N","",1,"L-Asparagine, N2-(chloroacetyl)-(1)","122723-93-7(1)","5646","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[3152,"NP(N)(=O)c1ccccc1\n\n\n","NP(=O)(c1ccccc1)N","O=P(N)(N)c1ccccc1","",1,"Phosphonic diamide, P-phenyl-(1)","4707-88-4(1)","3524","High Reliability","-"]
[3153,"Cc1cc(C)nc(N)n1\n\n\n","Cc1cc(C)nc(n1)N","n1c(nc(cc1C)C)N","",1,"2-AMINO-4,6-DIMETHYLPYRIMIDINE(1)","767-15-7(1)","2683","High Reliability","-"]
[3154,"Cc1cc(N)nc(C)n1\n\n\n","Cc1cc(N)nc(n1)C","n1c(N)cc(nc1C)C","",1,"2,6-DIMETHYL-4-PYRIMIDINAMINE(1)","461-98-3(1)","1805","Medium Reliability","-"]
[3155,"CCc1cnc(O)[nH]c1=N\nCCc1c[nH]c(=O)nc1N\n\n","CCc1cnc([nH]c1=N)O","N=C1NC(O)=NC=C1CC","",1,"2(1H)-Pyrimidinone, 4-amino-5-ethyl-(1)","32550-24-6(1)","4538","Medium Reliability","-"]
[3156,"NC(Cc1cnc[nH]1)C(O)=O\nNC(Cc1c[nH]cn1)C(O)=O\n\n","NC(C(=O)O)Cc1cnc[nH]1","O=C(O)C(N)Cc1cnc[nH]1","",1,"HISTIDINE(1)","71-00-1(1)","281","High Reliability","Stereochemistry removed"]
[3157,"Cc1ncc(n1CCO)[N+]([O-])=O\n\n\n","OCCn1c(C)ncc1[N+](=O)[O-]","O=[N+]([O-])c1cnc(n1CCO)C","",1,"METRONIDAZOLE(1)","443-48-1(1)","1788","High Reliability","-"]
[3158,"ON=C1CCCC=C1\n\n\n","ON=C1CCCC=C1","ON=C1C=CCCC1","",2,"2-Cyclohexen-1-one, oxime, (Z)-(1), 2-Cyclohexen-1-one, oxime, (E)-(1)","2229-00-7(1), 3349-62-0(1)","3139, 3372","Medium Reliability","Stereochemistry removed"]
[3159,"CCC1(C)OC(=O)NC1=O\n\n\n","CC1(CC)OC(=O)NC1=O","O=C1OC(C(=O)N1)(C)CC","",1,"5-ETHYL-5-METHYL-2,4-OXAZOLIDINEDIONE(1)","52387-52-7(1)","4834","Medium Reliability","-"]
[3160,"CN1C(=O)OC(C)(C)C1=O\n\n\n","O=C1OC(C(=O)N1C)(C)C","O=C1OC(C(=O)N1C)(C)C","",1,"Trimethadione(1)","127-48-0(1)","1475","High Reliability","-"]
[3161,"CN1CC(CC1=O)C(O)=O\n\n\n","OC(=O)C1CC(=O)N(C1)C","O=C(O)C1CC(=O)N(C)C1","",1,"1-METHYL-4-CARBOXY-2-PYRROLIDONE(1)","42346-68-9(1)","4758","High Reliability","Checked on PubChem, Checked on ChemID"]
[3162,"OC(=O)CN(CC(O)=O)CC(O)=O\n\n\n","OC(=O)CN(CC(=O)O)CC(=O)O","O=C(O)CN(CC(=O)O)CC(=O)O","",1,"NITRILOTRIACETIC ACID(1)","139-13-9(1)","1544","High Reliability","-"]
[3163,"CC(=O)CC1=NCCS1\n\n\n","CC(=O)CC1=NCCS1","O=C(C)CC1=NCCS1","",1,"2-Propanone, 1-(4,5-dihydro-2-thiazolyl)-(1)","97855-56-6(1)","5410","Medium Reliability","-"]
[3164,"C=CCCCN=C=S\n\n\n","C=CCCCN=C=S","C(=NCCCC=C)=S","",1,"1-Pentene, 5-isothiocyanato-(1)","18060-79-2(1)","4177","High Reliability","-"]
[3165,"[O-][N+](=O)c1cc(Cl)c(Cl)c(Cl)c1Cl\n\n\n","Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl","O=[N+]([O-])c1cc(c(c(c1Cl)Cl)Cl)Cl","",1,"2,3,4,5-TETRACHLORONITROBENZENE(1)","879-39-0(1)","2729","High Reliability","-"]
[3166,"[O-][N+](=O)c1c(Cl)c(Cl)cc(Cl)c1Cl\n\n\n","Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl","O=[N+]([O-])c1c(c(cc(c1Cl)Cl)Cl)Cl","",1,"2,3,5,6-TETRACHLORONITROBENZENE(1)","117-18-0(1)","1306","High Reliability","-"]
[3167,"Clc1cc(Cl)c(Cl)c(Cl)c1Cl\n\n\n","Clc1cc(Cl)c(c(c1Cl)Cl)Cl","c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","",1,"PENTACHLOROBENZENE(1)","608-93-5(1)","2398","Medium Reliability","-"]
[3168,"Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl\n\n\n","Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl","Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","",1,"PENTACHLOROPHENOL(1)","87-86-5(1)","601","Medium Reliability","-"]
[3169,"CN(C)c1cc(C)nc(Cl)n1\n\n\n","Cc1cc(nc(n1)Cl)N(C)C","n1c(cc(nc1Cl)C)N(C)C","",1,"2-CHLORO-4-METHYL-6-(DIMETHYLAMINO)PYRIMIDINE(1)","535-89-7(1)","2038","Medium Reliability","-"]
[3170,"CN(C)c1ccncc1\nCN(C)c1cc[nH+]cc1\n\n","CN(c1ccncc1)C","n1ccc(cc1)N(C)C","",1,"4-DIMETHYLAMINOPYRIDINE(1)","1122-58-3(1)","2839","Medium Reliability","-"]
[3171,"NNCc1ccccc1\n[H+].[Cl-].NNCc1ccccc1\n\n","NNCc1ccccc1","NNCc1ccccc1","",1,"Benzylhydrazine(1)","555-96-4(1)","2152","High Reliability","Differences in counterions"]
[3172,"Cc1c(N)cc(cc1)S(N)(=O)=O\n\n\n","Cc1ccc(cc1N)S(=O)(=O)N","O=S(=O)(N)c1ccc(c(N)c1)C","",1,"Benzenesulfonamide, 3-amino-4-methyl-(1)","6274-28-8(1)","3725","High Reliability","-"]
[3173,"NCc1ccc(cc1)S(N)(=O)=O\n\n\n","NCc1ccc(cc1)S(=O)(=O)N","O=S(=O)(N)c1ccc(cc1)CN","",1,"Benzenesulfonamide, 4-(aminomethyl)-(1)","138-39-6(1)","1539","High Reliability","-"]
[3174,"CC(C)C1C(O)=NC(=O)N=C1O\nCC(C)C1C(=O)NC(=O)NC1=O\n\n","CC(C1C(=NC(=O)N=C1O)O)C","O=C1N=C(O)C(C(O)=N1)C(C)C","",1,"BARBITURIC ACID, 5-IPR(1)","7391-69-7(1)","3836","Medium Reliability","-"]
[3175,"CCCc1cc(=O)[nH]c(=S)[nH]1\nCCCn1c(=O)cc[nH]c1=S\n\n","CCCc1cc(=O)[nH]c(=S)[nH]1","O=C1C=C(NC(N1)=S)CCC","",1,"propylthiouracil(1)","51-52-5(1)","49","High Reliability","Name verified in PubChem"]
[3176,"NC(=N)NS(=O)(=O)c1ccc(N)cc1\nNC(N)=NS(=O)(=O)c1ccc(N)cc1\n\n","NC(=N)NS(=O)(=O)c1ccc(cc1)N","O=S(=O)(NC(=N)N)c1ccc(N)cc1","",1,"sulfanilylguanadine(1)","57-67-0(1)","135","Medium Reliability","Name verified in PubChem"]
[3177,"CCNC(=O)NC(=O)C(=NOC)C#N\n\n\n","CCNC(=O)NC(=O)C(=NOC)C#N","N#CC(=NOC)C(=O)NC(=O)NCC","",1,"Cymoxanil(1)","57966-95-7(1)","4951","High Reliability","Stereochemistry removed"]
[3178,"O=CC1CCCC=C1\nO=CC1CCC=CC1\n\n","C1CCC=CC1C=O","O=CC1C=CCCC1","",1,"TETRAHYDROBENZALDEHYDE(1)","1321-16-0(1)","2886","High Reliability","Checked on PubChem, Checked on ChemID"]
[3179,"O=C1CC2CCC1C2\n\n\n","O=C1CC2CC1CC2","O=C1CC2CCC1C2","",1,"NORCAMPHOR(1)","497-38-1(1)","1896","Medium Reliability","-"]
[3180,"OC(=O)C1=CCCCC1\n\n\n","OC(=O)C1=CCCCC1","O=C(O)C1=CCCCC1","",1,"1-CYCLOHEXENE-1-CARBOXYLIC ACID(1)","636-82-8(1)","2596","High Reliability","-"]
[3181,"CCCC(=CC(O)=O)C(O)=O\n\n\n","CCCC(=CC(=O)O)C(=O)O","O=C(O)C=C(C(=O)O)CCC","",1,"2-Butenedioic acid, 2-propyl-, (E)-(1)","5469-28-3(1)","3627","Medium Reliability","Stereochemistry removed"]
[3182,"CC(=O)OC(OC(C)=O)C=C\n[O-]C(=O)CC(CC([O-])=O)C=C\n\n","C=CC(OC(=O)C)OC(=O)C","O=C(OC(OC(=O)C)C=C)C","",1,"allylidenediacetate(1)","869-29-4(1)","2721","High Reliability","Name verified in PubChem"]
[3183,"COC(=O)C=C(C)C(=O)OC\n\n\n","COC(=O)C=C(C(=O)OC)C","O=C(OC)C=C(C(=O)OC)C","",2,"2-Butenedioic acid, 2-methyl-, dimethyl ester, ((2)","617-54-9(1), 617-53-8(1)","2457, 2456","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3184,"CCOC(=O)C(=O)C(=O)OCC\n\n\n","CCOC(=O)C(=O)C(=O)OCC","O=C(OCC)C(=O)C(=O)OCC","",1,"Propanedioic acid, oxo-, diethyl ester(1)","609-09-6(1)","2400","High Reliability","-"]
[3185,"OC1CC(=CC(O)C1O)C(O)=O\n\n\n","OC1CC(=CC(C1O)O)C(=O)O","O=C(O)C1=CC(O)C(O)C(O)C1","",1,"SHIKIMIC ACID(1)","138-59-0(1)","1541","High Reliability","Stereochemistry removed"]
[3186,"Cn1cncc1CC(N)C(O)=O\n\n\n","Cn1cncc1CC(C(=O)O)N","O=C(O)C(N)Cc1cncn1C","",1,"L-Histidine, 3-methyl-(1)","368-16-1(1)","1758","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3187,"CSc1nc(NC(C)C)nc(N=[N+]=[N-])n1\n\n\n","[N-]=[N+]=Nc1nc(NC(C)C)nc(n1)SC","[N-]=[N+]=Nc1nc(nc(n1)SC)NC(C)C","",1,"AZIPROTRYNE(1)","4658-28-0(1)","3521","High Reliability","-"]
[3188,"CCC(C)(OC(N)=O)C#C\n\n\n","CC(C#C)(OC(=O)N)CC","O=C(OC(C#C)(C)CC)N","",1,"MEPARFYNOL CARBAMATE(1)","302-66-9(1)","1709","High Reliability","Checked on PubChem, Checked on ChemID"]
[3189,"COC(=O)C1CN(C)C(=O)C1\n\n\n","COC(=O)C1CC(=O)N(C1)C","O=C(OC)C1CC(=O)N(C)C1","",1,"1-METHYL-4-METHOXYCARBONYL-2-PYRROLIDONE(1)","59857-86-2(1)","4976","High Reliability","Checked on PubChem, Checked on ChemID"]
[3190,"OC(=O)C1CCNCC1C(O)=O\n\n\n","OC(=O)C1CNCCC1C(=O)O","O=C(O)C1CNCCC1(C(=O)O)","",1,"3,4-Piperidinedicarboxylic acid(1)","577-58-2(1)","2213","Medium Reliability","-"]
[3191,"CCSC(S)=NC(CC(O)=O)C(O)=O\nCCSC(=S)NC(CC(O)=O)C(O)=O\n\n","CCSC(=NC(C(=O)O)CC(=O)O)S","O=C(O)CC(N=C(S)SCC)C(=O)O","",1,"L-Aspartic acid, N-[(ethylthio)thioxomethyl]-(1)","5139-67-3(1)","3567","Medium Reliability","Stereochemistry removed"]
[3192,"C1CCC=CCC1\n\n\n","C1CCC=CCC1","C1=CCCCCC1","",1,"CYCLOHEPTENE(1)","628-92-2(1)","2558","High Reliability","-"]
[3193,"CCCCCC#C\nCCCCC#CC\nC=CCCCC=C\n","CCCCCC#C","C#CCCCCC","",3,"1-HEPTYNE(1), 2-Heptyne(1), 1,6-Heptadiene(1)","628-71-7(1), 1119-65-9(1), 3070-53-9(1)","2557, 2836, 3324","High Reliability","-"]
[3194,"CC1=CCCCC1\n\n\n","CC1=CCCCC1","C1=C(C)CCCC1","",1,"1-METHYLCYCLOHEXENE(1)","591-49-1(1)","2304","High Reliability","-"]
[3195,"CCNc1nc(NCC)nc(Cl)n1\n\n\n","CCNc1nc(NCC)nc(n1)Cl","n1c(nc(nc1NCC)Cl)NCC","",1,"SIMAZINE(1)","122-34-9(1)","1390","Medium Reliability","-"]
[3196,"CNc1nc(Cl)nc(NC(C)C)n1\n\n\n","CNc1nc(NC(C)C)nc(n1)Cl","n1c(nc(nc1NC(C)C)Cl)NC","",1,"NORAZINE(1)","3004-71-5(1)","3312","High Reliability","-"]
[3197,"CCOC(=O)C(C)N=C(O)CCl\nCCOC(=O)C(C)NC(=O)CCl\n\n","CCOC(=O)C(N=C(CCl)O)C","O=C(OCC)C(N=C(O)CCl)C","",1,"L-Alanine, N-(chloroacetyl)-, ethyl ester(1)","76385-53-0(1)","5224","Medium Reliability","Stereochemistry removed"]
[3198,"CC(C)Cc1ncc[nH]1\n\n\n","CC(Cc1ncc[nH]1)C","n1cc[nH]c1CC(C)C","",1,"1H-Imidazole, 2-(2-methylpropyl)-(1)","61491-92-7(1)","5007","High Reliability","-"]
[3199,"CC(C)C1NC(=O)CNC1=O\n\n\n","O=C1CNC(=O)C(N1)C(C)C","O=C1NC(C(=O)NC1)C(C)C","",1,"2,5-Piperazinedione, 3-(1-methylethyl)-(1)","14771-77-8(1)","4043","High Reliability","Checked on PubChem, Checked on ChemID"]
[3200,"CC1CCC(=NO)C(C1)=NO\nCC1CCC(=C(C1)NO)N=O\n\n","ON=C1CC(C)CCC1=NO","ON=C1C(=NO)CC(C)CC1","",1,"1,2-Cyclohexanedione, 4-methyl-, dioxime(1)","18310-19-5(1)","4192","High Reliability","-"]
[3201,"CC1CCCC(=NO)C1=NO\n\n\n","ON=C1C(C)CCCC1=NO","ON=C1C(=NO)C(C)CCC1","",1,"1,2-Cyclohexanedione, 3-methyl-, dioxime(1)","18310-18-4(1)","4191","Medium Reliability","-"]
[3202,"ON=C1CCCCCC1=NO\nONC1=C(CCCCC1)N=O\n\n","ON=C1CCCCCC1=NO","ON=C1C(=NO)CCCCC1","",1,"1,2-Cycloheptanedione, dioxime(1)","530-97-2(1)","2017","High Reliability","-"]
[3203,"CCS(=O)(=O)c1nnc(s1)N(C)C(=O)NC\n\n\n","CNC(=O)N(c1nnc(s1)S(=O)(=O)CC)C","O=C(NC)N(c1nnc(s1)S(=O)(=O)CC)C","",1,"Ethidimuron(1)","30043-49-3(1)","4498","High Reliability","-"]
[3204,"OC(=O)CN=C(O)CN=C(O)CNC(O)=N\nNC(=O)NCC(=O)NCC(=O)NCC(O)=O\n\n","OC(=NCC(=NCC(=O)O)O)CNC(=N)O","O=C(O)CN=C(O)CN=C(O)CNC(=N)O","",1,"Glycine, N-[N-(N-carbamoylglycyl)glycyl]-(1)","17186-15-1(1)","4145","Medium Reliability","-"]
[3205,"CC1CCCC(=O)C1\n\n\n","CC1CCCC(=O)C1","O=C1CCCC(C)C1","",1,"3-METHYLCYCLOHEXANONE(1)","591-24-2(1)","2301","High Reliability","-"]
[3206,"CCCCOC(=O)C=C\n\n\n","CCCCOC(=O)C=C","O=C(OCCCC)C=C","",1,"BUTYL ACRYLATE(1)","141-32-2(1)","1564","High Reliability","-"]
[3207,"C1COC2(C1)CCCO2\n\n\n","C1COC2(C1)CCCO2","O1CCCC12(OCCC2)","",1,"1,6-Dioxaspiro[4,4]nonane(1)","176-25-0(1)","1640","Medium Reliability","-"]
[3208,"CC(C)COC(=O)C=C\n\n\n","C=CC(=O)OCC(C)C","O=C(OCC(C)C)C=C","",1,"ISOBUTYL ACRYLATE(1)","106-63-8(1)","1008","High Reliability","-"]
[3209,"CC(C)C=CCC(O)=O\n\n\n","CC(C=CCC(=O)O)C","O=C(O)CC=CC(C)C","",1,"5-Methyl-hex-3-enoic acid(1)","59320-76-2(1)","4973","Medium Reliability","-"]
[3210,"OC(=O)C1CCCCC1\n\n\n","OC(=O)C1CCCCC1","O=C(O)C1CCCCC1","",1,"CYCLOHEXANECARBOXYLIC ACID(1)","98-89-5(1)","830","High Reliability","-"]
[3211,"OC(=O)C1(O)CCCCC1\n\n\n","OC(=O)C1(O)CCCCC1","O=C(O)C1(O)(CCCCC1)","",1,"1-Hydroxy-cyclohexanecarboxylic acid(1)","1123-28-0(1)","2841","Medium Reliability","-"]
[3212,"OC(=O)COC1CCCC1\n\n\n","OC(=O)COC1CCCC1","O=C(O)COC1CCCC1","",1,"Acetic acid, (cyclopentyloxy)-(1)","95832-60-3(1)","5395","Medium Reliability","Checked on PubChem"]
[3213,"COC(=O)CCCC(=O)OC\n\n\n","COC(=O)CCCC(=O)OC","O=C(OC)CCCC(=O)OC","",1,"PENTANEDIOIC ACID, DIMETHYL ESTER(1)","1119-40-0(1)","2834","High Reliability","-"]
[3214,"CCCCC(C(O)=O)C(O)=O\n\n\n","CCCCC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)CCCC","",1,"BUTYL MALONIC ACID(1)","534-59-8(1)","2033","High Reliability","Checked on PubChem, Checked on ChemID"]
[3215,"CCOC(=O)CC(=O)OCC\n\n\n","CCOC(=O)CC(=O)OCC","O=C(OCC)CC(=O)OCC","",1,"DIETHYL MALONATE(1)","105-53-3(1)","973","High Reliability","-"]
[3216,"CCC(C(C)C(O)=O)C(O)=O\n\n\n","CCC(C(C(=O)O)C)C(=O)O","O=C(O)C(C)C(C(=O)O)CC","",1,"Butanedioic acid, 2-ethyl-3-methyl-(1)","1186-78-3(1)","2859","Medium Reliability","-"]
[3217,"CCC(C)(CC(O)=O)C(O)=O\n\n\n","CCC(C(=O)O)(CC(=O)O)C","O=C(O)CC(C(=O)O)(C)CC","",1,"2-Ethyl-2-methyl-succinic acid(1)","631-31-2(1)","2575","High Reliability","Checked on PubChem, Checked on ChemID"]
[3218,"CCC(CC)(C(O)=O)C(O)=O\n\n\n","CCC(C(=O)O)(C(=O)O)CC","O=C(O)C(C(=O)O)(CC)CC","",1,"Propanedioic acid, diethyl-(1)","510-20-3(1)","1949","High Reliability","-"]
[3219,"CC(C)C(CC(O)=O)C(O)=O\n\n\n","OC(=O)CC(C(=O)O)C(C)C","O=C(O)CC(C(=O)O)C(C)C","",1,"Butanedioic acid, (1-methylethyl)-(1)","2338-45-6(1)","3172","Medium Reliability","-"]
[3220,"CC(C(O)=O)C(C)(C)C(O)=O\n\n\n","OC(=O)C(C(C(=O)O)(C)C)C","O=C(O)C(C)C(C(=O)O)(C)C","",1,"Butanedioic acid, trimethyl-(1)","2103-16-4(1)","3094","High Reliability","Checked on PubChem, Checked on ChemID"]
[3221,"CC(CC(C)C(O)=O)C(O)=O\nCC(CC(C)C([O-])=O)C([O-])=O\n\n","CC(C(=O)O)CC(C(=O)O)C","O=C(O)C(C)CC(C(=O)O)C","",1,"Pentanedioic acid, 2,4-dimethyl-(1)","2121-67-7(1)","3099","High Reliability","Stereochemistry removed"]
[3222,"CCOC(=O)C(C)OC(C)=O\n\n\n","CCOC(=O)C(OC(=O)C)C","O=C(OC(C(=O)OCC)C)C","",1,"Propanoic acid, 2-(acetyloxy)-, ethyl ester(1)","2985-28-6(1)","3308","High Reliability","-"]
[3223,"CCC(=O)OC(C)C(=O)OC\n\n\n","CCC(=O)OC(C(=O)OC)C","O=C(OC(C(=O)OC)C)CC","",1,"Propanoic acid, 2-(1-oxopropoxy)-, methyl ester(1)","61402-72-0(1)","5005","Medium Reliability","-"]
[3224,"CC(COC(C)=O)OC(C)=O\nCC(O)CO.CC(O)=O.CC(O)=O\n\n","CC(=O)OCC(OC(=O)C)C","O=C(OCC(OC(=O)C)C)C","",1,"1,2-propyleneglycoldiacetate(1)","623-84-7(1)","2498","High Reliability","Name verified in PubChem"]
[3225,"CC(=O)OCCCOC(C)=O\nCC(O)=O.CC(O)=O.OCCCO\n\n","CC(=O)OCCCOC(=O)C","O=C(OCCCOC(=O)C)C","",1,"1,3-propanediol,diacetate(1)","628-66-0(1)","2556","High Reliability","Name verified in PubChem"]
[3226,"OC(=O)CCCCCC(O)=O\n\n\n","OC(=O)CCCCCC(=O)O","O=C(O)CCCCCC(=O)O","",1,"PIMELIC ACID(1)","111-16-0(1)","1207","High Reliability","-"]
[3227,"OC1CC(O)(CC(O)C1O)C(O)=O\n\n\n","OC1C(O)CC(CC1O)(O)C(=O)O","O=C(O)C1(O)(CC(O)C(O)C(O)C1)","",1,"Quinic acid(1)","77-95-2(1)","429","High Reliability","Checked on PubChem, Checked on ChemID"]
[3228,"OCC(O)C(O)C1OC(=O)C(O)C1O\n\n\n","OCC(C(C1OC(=O)C(C1O)O)O)O","O=C1OC(C(O)C1(O))C(O)C(O)CO","",1,"D-glycero-D-gulo-heptonic acid, .gamma.-lactone(1)","89-67-8(1)","637","High Reliability","Checked on PubChem, Checked on ChemID"]
[3229,"CCC(Br)(CC)C(=O)NC(N)=O\n\n\n","CCC(C(=O)NC(=O)N)(CC)Br","O=C(N)NC(=O)C(CC)(CC)Br","",1,"CARBROMAL(1)","77-65-6(1)","419","High Reliability","-"]
[3230,"NC(=O)NN=C1CCCCC1\n\n\n","NC(=O)NN=C1CCCCC1","O=C(N)NN=C1CCCCC1","",1,"Hydrazinecarboxamide, 2-cyclohexylidene-(1)","1589-61-3(1)","2937","High Reliability","-"]
[3231,"OC(=N)C1CCCC(N1)C(O)=N\n\n\n","OC(=N)C1CCCC(N1)C(=N)O","N=C(O)C1NC(C(=N)O)CCC1","",1,"2,6-Piperidinedicarboxamide(1)","99669-83-7(1)","5443","Medium Reliability","-"]
[3232,"CNC(=O)ON=C(SC)C(=O)N(C)C\n\n\n","CNC(=O)ON=C(C(=O)N(C)C)SC","O=C(ON=C(C(=O)N(C)C)SC)NC","",1,"OXAMYL(1)","23135-22-0(1)","4337","High Reliability","Stereochemistry removed"]
[3233,"CCNc1nc(NCC)nc(O)n1\nCCNc1nc(=O)nc(NCC)[nH]1\n\n","CCNc1nc(NCC)nc(n1)O","Oc1nc(nc(n1)NCC)NCC","",1,"Hydroxysimazine(1)","2599-11-3(1)","3252","High Reliability","-"]
[3234,"CC(C)C(NC(C)=O)C(O)=O\n\n\n","CC(=O)NC(C(=O)O)C(C)C","O=C(O)C(NC(=O)C)C(C)C","",3,"D-Valine, N-acetyl-(1), L-Valine, N-acetyl-(1), DL-Valine, N-acetyl-(1)","17916-88-0(1), 96-81-1(1), 3067-19-4(1)","4174, 784, 3322","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3235,"CC(C)CC(N=CO)C(O)=O\nCC(C)CC(NC=O)C(O)=O\n\n","OC=NC(C(=O)O)CC(C)C","O=C(O)C(N=CO)CC(C)C","",1,"DL-Leucine, N-formyl-(1)","5338-45-4(1)","3589","High Reliability","Stereochemistry removed"]
[3236,"CSCCC(NC(C)=O)C(O)=O\nCSCCC(NC(C)=O)C(O)=O\nCSCCC(NC(C)=O)C([O-])=O\n","CSCCC(C(=O)O)NC(=O)C","O=C(O)C(NC(=O)C)CCSC","",3,"L-Methionine, N-acetyl-(1), DL-Methionine, N-acetyl-(1), D-Methionine, N-acetyl-(1)","65-82-7(1), 1115-47-5(1), 1509-92-8(1)","238, 2826, 2918","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3237,"CCOC(=O)CNC(=O)OCC\n\n\n","CCOC(=O)NCC(=O)OCC","O=C(OCC)NCC(=O)OCC","",1,"Glycine, N-(ethoxycarbonyl)-, ethyl ester(1)","999-30-4(1)","2788","Medium Reliability","-"]
[3238,"COC(=O)C(C)=COP(=S)(OC)OC\n\n\n","COC(=O)C(=COP(=S)(OC)OC)C","O=C(OC)C(=COP(OC)(OC)=S)C","",2,"Methacrifos(1), Methacrifos [BSI:ISO](1)","62610-77-9(1), 30864-28-9(1)","5015, 4515","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3239,"COC(=O)C=C(C)OP(=O)(OC)OC\n\n\n","COC(=O)C=C(OP(=O)(OC)OC)C","O=C(OC)C=C(OP(=O)(OC)OC)C","",3,"MEVINPHOS (TRANS)(1), MEVINPHOS(1), Mevinphos(1)","298-01-1(1), 7786-34-7(1), 26718-65-0(1)","1688, 3885, 4428","Medium Reliability, High Reliability","Stereochemistry removed"]
[3240,"C1CCCCCC1\n\n\n","C1CCCCCC1","C1CCCCCC1","",1,"CYCLOHEPTANE(1)","291-64-5(1)","1683","High Reliability","-"]
[3241,"CCCCCC=C\nCCCCC=CC\n\n","CCCCC=CC","C(=CCCCC)C","",3,"1-HEPTENE(1), 2-Heptene(1), 2-HEPTENE (TRANS)(1)","592-76-7(1), 592-77-8(1), 14686-13-6(1)","2315, 2316, 4040","High Reliability","Stereochemistry removed"]
[3242,"CC1CCCCC1\n\n\n","CC1CCCCC1","CC1CCCCC1","",1,"1-METHYLCYCLOHEXANE(1)","108-87-2(1)","1107","High Reliability","-"]
[3243,"CP(F)(=O)OC1CCCCC1\n\n\n","CP(=O)(OC1CCCCC1)F","O=P(F)(OC1CCCCC1)C","",1,"Cyclohexyl methylphosphonofluoridate(1)","329-99-7(1)","1738","High Reliability","-"]
[3244,"CCC(CC)(C(N)=O)C(N)=O\n\n\n","CCC(C(=O)N)(C(=O)N)CC","O=C(N)C(C(=O)N)(CC)CC","",1,"Propanediamide, 2,2-diethyl-(1)","29141-71-7(1)","4476","High Reliability","-"]
[3245,"CNC(=O)ON=C(C)C(C)SC\n\n\n","CSC(C(=NOC(=O)NC)C)C","O=C(ON=C(C)C(C)SC)NC","",1,"Butocarboxim(1)","34681-10-2(1)","4594","High Reliability","Stereochemistry removed"]
[3246,"CNC(=O)ON=CC(C)(C)SC\n\n\n","CNC(=O)ON=CC(SC)(C)C","O=C(ON=CC(C)(C)SC)NC","",1,"ALDICARB(1)","116-06-3(1)","1295","High Reliability","Stereochemistry removed"]
[3247,"CC(C)C(N=C(O)CN)C(O)=O\nCC(C)C(NC(=O)CN)C(O)=O\n\n","NCC(=NC(C(=O)O)C(C)C)O","O=C(O)C(N=C(O)CN)C(C)C","",1,"L-Valine, N-glycyl-(1)","1963-21-9(1)","3049","High Reliability","Stereochemistry removed"]
[3248,"CC(C)C(N)C(O)=NCC(O)=O\nCC(C)C(N)C(=O)NCC(O)=O\n\n","NC(C(=NCC(=O)O)O)C(C)C","O=C(O)CN=C(O)C(N)C(C)C","",1,"Glycine, N-DL-valyl-(1)","14297-28-0(1)","4024","Medium Reliability","Stereochemistry removed"]
[3249,"CNC(=O)ON=CC(C)(C)S(C)=O\n\n\n","CNC(=O)ON=CC(S(=O)C)(C)C","O=C(ON=CC(C)(C)S(=O)C)NC","",1,"ALDICARB SULFOXIDE(1)","1646-87-3(1)","2950","High Reliability","Stereochemistry removed"]
[3250,"CNC(=O)ON=C(C)C(C)S(C)(=O)=O\n\n\n","CNC(=O)ON=C(C(S(=O)(=O)C)C)C","O=C(ON=C(C)C(C)S(=O)(=O)C)NC","",1,"Butoxycarboxim(1)","34681-23-7(1)","4595","High Reliability","Stereochemistry removed"]
[3251,"CNC(=O)ON=CC(C)(C)S(C)(=O)=O\n\n\n","CNC(=O)ON=CC(S(=O)(=O)C)(C)C","O=C(ON=CC(C)(C)S(=O)(=O)C)NC","",1,"ALDICARB SULFONE(1)","1646-88-4(1)","2951","High Reliability","Stereochemistry removed"]
[3252,"CCOP(=O)(OCC)N=C1SCCS1\n\n\n","CCOP(=O)(N=C1SCCS1)OCC","O=P(N=C1SCCS1)(OCC)OCC","",1,"CYOLANE(1)","947-02-4(1)","2768","High Reliability","-"]
[3253,"COC(=O)N(C)C(=O)CSP(C)(=S)OC\n\n\n","COC(=O)N(C(=O)CSP(=S)(OC)C)C","O=C(OC)N(C(=O)CSP(OC)(C)=S)C","",1,"Mercarphon [ISO](1)","29173-31-7(1)","4477","Medium Reliability","-"]
[3254,"CNC(=O)C=C(C)OP(=O)(OC)OC\n\n\n","CNC(=O)C=C(OP(=O)(OC)OC)C","O=C(C=C(OP(=O)(OC)OC)C)NC","",1,"AZODRIN(1)","6923-22-4(1)","3797","High Reliability","Stereochemistry removed"]
[3255,"CCCCCCC=O\n\n\n","CCCCCCC=O","O=CCCCCCC","",1,"HEPTANAL(1)","111-71-7(1)","1228","High Reliability","-"]
[3256,"CCCCCC(C)=O\n\n\n","CCCCCC(=O)C","O=C(C)CCCCC","",1,"2-HEPTANONE(1)","110-43-0(1)","1171","High Reliability","-"]
[3257,"CCCCC(=O)CC\n\n\n","CCCCC(=O)CC","O=C(CC)CCCC","",1,"3-HEPTANONE(1)","106-35-4(1)","991","High Reliability","-"]
[3258,"CCCC(=O)CCC\n\n\n","CCCC(=O)CCC","O=C(CCC)CCC","",1,"DI(N-PROPYL) KETONE(1)","123-19-3(1)","1407","High Reliability","-"]
[3259,"CC(C)C(=O)C(C)C\n\n\n","CC(C(=O)C(C)C)C","O=C(C(C)C)C(C)C","",1,"2,4-DIMETHYL-3-PENTANONE(1)","565-80-0(1)","2197","High Reliability","-"]
[3260,"CC(C)CCC(C)=O\n\n\n","CC(CCC(=O)C)C","O=C(C)CCC(C)C","",1,"5-METHYL-2-HEXANONE(1)","110-12-3(1)","1161","High Reliability","-"]
[3261,"CC1CCC(O)CC1\n\n\n","CC1CCC(CC1)O","OC1CCC(C)CC1","",1,"4-METHYLCYCLOHEXANOL(1)","589-91-3(1)","2279","High Reliability","-"]
[3262,"CCCCCCC(O)=O\n\n\n","CCCCCCC(=O)O","O=C(O)CCCCCC","",1,"HEPTANOIC ACID(1)","111-14-8(1)","1205","High Reliability","-"]
[3263,"CCCCOCC1CO1\n\n\n","CCCCOCC1CO1","O(CCCC)CC1OC1","",1,"GLYCIDYL N-BUTYL ETHER(1)","2426-08-6(1)","3201","Medium Reliability","-"]
[3264,"CCCCCC(=O)OC\n\n\n","CCCCCC(=O)OC","O=C(OC)CCCCC","",1,"METHYL HEXANOATE(1)","106-70-7(1)","1011","High Reliability","-"]
[3265,"CCCCCOC(C)=O\n\n\n","CCCCCOC(=O)C","O=C(OCCCCC)C","",1,"N-AMYL ACETATE(1)","628-63-7(1)","2555","High Reliability","-"]
[3266,"CCCCC(=O)OCC\n\n\n","CCCCC(=O)OCC","O=C(OCC)CCCC","",1,"ETHYL VALERATE(1)","539-82-2(1)","2060","High Reliability","-"]
[3267,"CCCCOC(=O)CC\n\n\n","CCCCOC(=O)CC","O=C(OCCCC)CC","",1,"N-BUTYL PROPIONATE(1)","590-01-2(1)","2282","High Reliability","-"]
[3268,"CCCOC(=O)CCC\n\n\n","CCCOC(=O)CCC","O=C(OCCC)CCC","",1,"N-PROPYLBUTYRATE(1)","105-66-8(1)","981","Medium Reliability","-"]
[3269,"CCC(=O)OCC(C)C\n\n\n","CCC(=O)OCC(C)C","O=C(OCC(C)C)CC","",1,"2-METHYLPROPYL PROPANOATE(1)","540-42-1(1)","2065","High Reliability","-"]
[3270,"CCOC(=O)CC(C)C\n\n\n","CCOC(=O)CC(C)C","O=C(OCC)CC(C)C","",1,"ETHYL ISOVALERATE(1)","108-64-5(1)","1093","High Reliability","-"]
[3271,"CC(C)CCOC(C)=O\n\n\n","CC(CCOC(=O)C)C","O=C(OCCC(C)C)C","",1,"ISOAMYL ACETATE(1)","123-92-2(1)","1431","High Reliability","-"]
[3272,"CC(C)CC1OCCO1\n\n\n","CC(CC1OCCO1)C","O1CCOC1CC(C)C","",1,"1,3-DIOXOLANE, 2-(2-METHYLPROPYL)-(1)","6135-52-0(1)","3704","Medium Reliability","-"]
[3273,"COC(C)(C)CC(C)=O\n\n\n","COC(CC(=O)C)(C)C","O=C(C)CC(OC)(C)C","",1,"4-METHOXY-4-METHYL-2-PENTANONE(1)","107-70-0(1)","1052","High Reliability","-"]
[3274,"COC1CCCC(C)O1\n\n\n","COC1CCCC(O1)C","O(C)C1OC(C)CCC1","",1,"2H-PYRAN, TETRAHYDRO-2-METHOXY-6-METHYL-(1)","18653-59-3(1)","4202","Medium Reliability","-"]
[3275,"CCCCOC(=O)CCO\n\n\n","CCCCOC(=O)CCO","O=C(OCCCC)CCO","",1,"Propanoic acid, 3-hydroxy-, butyl ester(1)","4890-38-4(1)","3550","Medium Reliability","-"]
[3276,"CCCCOC(=O)C(C)O\n\n\n","CCCCOC(=O)C(O)C","O=C(OCCCC)C(O)C","",1,"BUTYL LACTATE(1)","138-22-7(1)","1537","High Reliability","-"]
[3277,"CCCOCCC(=O)OC\n\n\n","CCCOCCC(=O)OC","O=C(OC)CCOCCC","",1,"Propionic acid, 3-propoxy-, methyl ester(1)","14144-39-9(1)","4014","Medium Reliability","-"]
[3278,"CCCOC(=O)CCOC\n\n\n","CCCOC(=O)CCOC","O=C(OCCC)CCOC","",1,"Propionic acid, 3-methoxy-, propyl ester(1)","5349-56-4(1)","3593","Medium Reliability","-"]
[3279,"CCOCCC(=O)OCC\n\n\n","CCOCCC(=O)OCC","O=C(OCC)CCOCC","",1,"ETHYL 3-ETHOXYPROPANOATE(1)","763-69-9(1)","2678","High Reliability","-"]
[3280,"CCOC(OCC)C(C)=O\n\n\n","CCOC(C(=O)C)OCC","O=C(C)C(OCC)OCC","",1,"2-Propanone, 1,1-diethoxy-(1)","5774-26-5(1)","3662","High Reliability","-"]
[3281,"COC(C)CCOC(C)=O\n\n\n","COC(CCOC(=O)C)C","O=C(OCCC(OC)C)C","",1,"3-METHOXYBUTYL ACETATE(1)","4435-53-4(1)","3496","High Reliability","-"]
[3282,"CCCC(=O)OCC(O)CO\n\n\n","CCCC(=O)OCC(CO)O","O=C(OCC(O)CO)CCC","",1,"1-MONOBUTYRIN(1)","557-25-5(1)","2164","High Reliability","-"]
[3283,"COC1OC(CO)C(O)C(O)C1O\n\n\n","COC1OC(CO)C(C(C1O)O)O","OCC1OC(OC)C(O)C(O)C1(O)","",1,".alpha.-D-Glucopyranoside, methyl(1)","97-30-3(1)","794","Medium Reliability","Stereochemistry removed"]
[3284,"OCC(O)C(O)C(O)C(O)C(O)C=O\n\n\n","OCC(C(C(C(C(C=O)O)O)O)O)O","O=CC(O)C(O)C(O)C(O)C(O)CO","",1,"D-glycero-D-gulo-Heptose(1)","3146-50-7(1)","3336","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3285,"CCCCCCCBr\n\n\n","CCCCCCCBr","CCCCCCCBr","",1,"1-BROMOHEPTANE(1)","629-04-9(1)","2562","High Reliability","-"]
[3286,"CCCCCCCCl\n\n\n","CCCCCCCCl","CCCCCCCCl","",1,"1-CHLOROHEPTANE(1)","629-06-1(1)","2564","High Reliability","-"]
[3287,"ClCCN(CCCl)P1(=O)NCCCO1\n\n\n","ClCCN(P1(=O)NCCCO1)CCCl","O=P1(OCCCN1)N(CCCl)CCCl","",1,"CYCLOPHOSPHAMIDE(1)","50-18-0(1)","8","High Reliability","-"]
[3288,"CCCCCCCI\n\n\n","CCCCCCCI","CCCCCCCI","",1,"1-IODOHEPTANE(1)","4282-40-0(1)","3478","High Reliability","-"]
[3289,"Cl.CN(C)C(CSC(N)=O)CSC(N)=O\n[Cl-].C[NH+](C)C(CSC(N)=O)CSC(N)=O\n\n","CN(C(CSC(=O)N)CSC(=O)N)C","O=C(N)SCC(N(C)C)CSC(=O)N","",1,"Cartap Hydrochloride(1)","22042-59-7(1)","4307","High Reliability","Differences in counterions"]
[3290,"OCC(O)C(O)C(O)C(O)C=NNC(O)=N\n\n\n","OCC(C(C(C(C=NNC(=N)O)O)O)O)O","N=C(O)NN=CC(O)C(O)C(O)C(O)CO","",3,"D-Galactose, (aminocarbonyl)hydrazone(1), D-Glucose, (aminocarbonyl)hydrazone(1), D-Mannose, (aminocarbonyl)hydrazone(1)","6936-69-2(1), 23789-57-3(1), 41356-13-2(1)","3799, 4350, 4742","High Reliability","Stereochemistry removed"]
[3291,"CCCCC(NC)C(O)=O\n\n\n","CCCCC(C(=O)O)NC","O=C(O)C(NC)CCCC","",1,"N-methyl-norleucine(1)","17343-27-0(1)","4150","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[3292,"CCOC(=O)NCC(C)C\n\n\n","CCOC(=O)NCC(C)C","O=C(OCC)NCC(C)C","",1,"Isobutyl urethane(1)","539-89-9(1)","2062","High Reliability","-"]
[3293,"CCC(C)(CC)OC(N)=O\nCCC(C)(O)CC.NC(O)=O\n\n","CCC(OC(=O)N)(CC)C","O=C(OC(C)(CC)CC)N","",1,"3-pentanol,3-methyl-,carbamate(1)","78-28-4(1)","432","High Reliability","Name verified in PubChem"]
[3294,"CCOC(=O)N(CC)CC\n\n\n","CCOC(=O)N(CC)CC","O=C(OCC)N(CC)CC","",1,"Carbamic acid, diethyl-, ethyl ester(1)","3553-80-8(1)","3393","High Reliability","-"]
[3295,"CCCCOCCOC(N)=O\nCCCCOCCO.NC(O)=O\n\n","CCCCOCCOC(=O)N","O=C(OCCOCCCC)N","",1,"ethanol,2-butoxy-,carbamate(1)","16006-08-9(1)","4088","High Reliability","Name verified in PubChem"]
[3296,"CCSC(=O)N(CC)CC\n\n\n","CCSC(=O)N(CC)CC","O=C(N(CC)CC)SCC","",1,"Carbamic acid, diethylthio-, S-ethyl ester(1)","2941-55-1(1)","3300","Medium Reliability","-"]
[3297,"CCCCCCC\n\n\n","CCCCCCC","CCCCCCC","",1,"N-HEPTANE(1)","142-82-5(1)","1588","High Reliability","-"]
[3298,"CCCCC(C)C\n\n\n","CCCCC(C)C","CCCCC(C)C","",1,"2-METHYLHEXANE(1)","591-76-4(1)","2306","Medium Reliability","-"]
[3299,"CCCC(C)CC\n\n\n","CCCC(CC)C","CCCC(C)CC","",1,"3-METHYLHEXANE(1)","589-34-4(1)","2271","High Reliability","-"]
[3300,"CCCC(C)(C)C\n\n\n","CCCC(C)(C)C","CCCC(C)(C)C","",1,"2,2-DIMETHYLPENTANE(1)","590-35-2(1)","2289","High Reliability","-"]
[3301,"CCC(C)(C)CC\n\n\n","CCC(CC)(C)C","CCC(C)(C)CC","",1,"3,3-DIMETHYLPENTANE(1)","562-49-2(1)","2175","High Reliability","-"]
[3302,"CCC(C)C(C)C\n\n\n","CCC(C(C)C)C","CCC(C)C(C)C","",1,"2,3-DIMETHYLPENTANE(1)","565-59-3(1)","2189","High Reliability","-"]
[3303,"CC(C)CC(C)C\n\n\n","CC(CC(C)C)C","CC(C)CC(C)C","",1,"2,4-DIMETHYLPENTANE(1)","108-08-7(1)","1067","High Reliability","-"]
[3304,"CC(OP(C)(F)=O)C(C)(C)C\n\n\n","CC(C(C)(C)C)OP(=O)(F)C","O=P(F)(OC(C)C(C)(C)C)C","",1,"SOMAN(1)","96-64-0(1)","781","High Reliability","-"]
[3305,"[Cl-].CC(C[N+](C)(C)C)OC(N)=O\n\n\n","CC(C[N+](C)(C)C)OC(=O)N","O=C(OC(C)C[N+](C)(C)C)N","",1,"Bethanechol Chloride(1)","590-63-6(1)","2291","High Reliability","-"]
[3306,"COCCNC(=O)CSP(=S)(OC)OC\n\n\n","COCCNC(=O)CSP(=S)(OC)OC","O=C(NCCOC)CSP(OC)(OC)=S","",1,"AMIDOTHION(1)","919-76-6(1)","2738","Medium Reliability","-"]
[3307,"CCCCCCCO\n\n\n","CCCCCCCO","OCCCCCCC","",2,"1-HEPTANOL(1), HEPTANOL(1)","111-70-6(1), 53535-33-4(1)","1227, 4871","High Reliability","Checked on PubChem, Checked on ChemID"]
[3308,"CCCCCC(C)O\n\n\n","CCCCCC(O)C","OC(C)CCCCC","",1,"2-HEPTANOL(1)","543-49-7(1)","2100","High Reliability","-"]
[3309,"CCCCC(O)CC\n\n\n","CCCCC(CC)O","OC(CC)CCCC","",1,"3-HEPTANOL(1)","589-82-2(1)","2276","High Reliability","-"]
[3310,"CCCC(O)CCC\n\n\n","CCCC(CCC)O","OC(CCC)CCC","",1,"4-HEPTANOL(1)","589-55-9(1)","2274","High Reliability","-"]
[3311,"CCCCC(C)(C)O\n\n\n","CCCCC(O)(C)C","OC(C)(C)CCCC","",1,"2-METHYL-2-HEXANOL(1)","625-23-0(1)","2514","High Reliability","Checked on PubChem, Checked on ChemID"]
[3312,"CCCC(C)(C)CO\n\n\n","CCCC(CO)(C)C","OCC(C)(C)CCC","",1,"2,2-DIMETHYL-1-PENTANOL(1)","2370-12-9(1)","3178","High Reliability","-"]
[3313,"CCCC(O)C(C)C\n\n\n","CCCC(C(C)C)O","OC(CCC)C(C)C","",1,"2-METHYL-3-HEXANOL(1)","617-29-8(1)","2453","High Reliability","Checked on PubChem, Checked on ChemID"]
[3314,"CCCC(C)(O)CC\n\n\n","CCCC(CC)(O)C","OC(C)(CC)CCC","",1,"3-METHYL-3-HEXANOL(1)","597-96-6(1)","2342","High Reliability","-"]
[3315,"CCC(O)(CC)CC\n\n\n","CCC(CC)(CC)O","OC(CC)(CC)CC","",1,"3-ETHYL-3-PENTANOL(1)","597-49-9(1)","2339","High Reliability","-"]
[3316,"CC(C)C(O)C(C)C\n\n\n","OC(C(C)C)C(C)C","OC(C(C)C)C(C)C","",1,"2,4-DIMETHYL-3-PENTANOL(1)","600-36-2(1)","2364","High Reliability","-"]
[3317,"CCC(C)C(C)(C)O\n\n\n","CCC(C(O)(C)C)C","OC(C)(C)C(C)CC","",1,"2,3-DIMETHYL-2-PENTANOL(1)","4911-70-0(1)","3551","High Reliability","-"]
[3318,"CCC(O)C(C)(C)C\n\n\n","CCC(C(C)(C)C)O","OC(CC)C(C)(C)C","",1,"2,2-DIMETHYL-3-PENTANOL(1)","3970-62-5(1)","3450","High Reliability","-"]
[3319,"CCOC(C)(C)CC\n\n\n","CCOC(CC)(C)C","O(CC)C(C)(C)CC","",1,"ETHYL(TERT-AMYL) ETHER(1)","919-94-8(1)","2740","High Reliability","-"]
[3320,"CCC(C)(O)C(C)C\n\n\n","CCC(C(C)C)(O)C","OC(C)(CC)C(C)C","",1,"2,3-DIMETHYL-3-PENTANOL(1)","595-41-5(1)","2331","High Reliability","Checked on PubChem, Checked on ChemID"]
[3321,"CC(C)CCC(C)O\n\n\n","CC(CCC(O)C)C","OC(C)CCC(C)C","",1,"5-METHYL-2-HEXANOL(1)","627-59-8(1)","2546","High Reliability","Checked on PubChem, Checked on ChemID"]
[3322,"CC(C)CC(C)CO\n\n\n","OCC(CC(C)C)C","OCC(C)CC(C)C","",1,"2,4-DIMETHYL-1-PENTANOL(1)","6305-71-1(1)","3735","High Reliability","-"]
[3323,"CC(C)CC(C)(C)O\n\n\n","CC(CC(O)(C)C)C","OC(C)(C)CC(C)C","",1,"2,4-DIMETHYL-2-PENTANOL(1)","625-06-9(1)","2512","High Reliability","-"]
[3324,"CC(C)OC(C)(C)C\n\n\n","CC(OC(C)(C)C)C","O(C(C)C)C(C)(C)C","",1,"ISOPROPYL T-BUTYL ETHER(1)","17348-59-3(1)","4151","High Reliability","-"]
[3325,"CC(C)(C)C(C)(C)O\n\n\n","CC(C(C)(C)C)(O)C","OC(C)(C)C(C)(C)C","",1,"2,3,3,-TRIMETHYL-2-BUTANOL(1)","594-83-2(1)","2328","High Reliability","-"]
[3326,"CC(C)(C)CCCO\n\n\n","OCCCC(C)(C)C","OCCCC(C)(C)C","",1,"4,4-DIMETHYL-1-PENTANOL(1)","3121-79-7(1)","3331","Medium Reliability","-"]
[3327,"CCC(CC)(CO)CO\n\n\n","CCC(CO)(CO)CC","OCC(CO)(CC)CC","",1,"2,2-DIETHYL-1,3-PROPANEDIOL(1)","115-76-4(1)","1287","High Reliability","-"]
[3328,"COCCOCCOCCO\nCOC(O)COCCOCCO\n\n","COCCOCCOCCO","OCCOCCOCCOC","",1,"methoxytriethyleneglycol(1)","112-35-6(1)","1250","Medium Reliability","Name verified in PubChem"]
[3329,"CCS(=O)(=O)C(C)(C)S(=O)(=O)CC\n\n\n","CCS(=O)(=O)C(S(=O)(=O)CC)(C)C","O=S(=O)(CC)C(C)(C)S(=O)(=O)CC","",1,"2,2-BIS(ETHYLSULFONYL)PROPANE(1)","115-24-2(1)","1276","High Reliability","-"]
[3330,"CCS(=O)(=O)C(C)(CO)S(=O)(=O)CC\n\n\n","OCC(S(=O)(=O)CC)(S(=O)(=O)CC)C","O=S(=O)(CC)C(C)(CO)S(=O)(=O)CC","",1,"1-Propanol, 2,2-bis(ethylsulfonyl)-(1)","89979-51-1(1)","5345","Medium Reliability","-"]
[3331,"OCC(O)C(O)C(O)C(O)C(O)CO\n\n\n","OCC(C(C(C(C(CO)O)O)O)O)O","OCC(O)C(O)C(O)C(O)C(O)CO","",4,"D-glycero-D-manno-Heptitol(1), D-glycero-D-gulo-Heptitol(1), D-glycero-L-gulo-Heptitol(1), (+)-Perseitol(1)","488-38-0(1), 1069-00-7(1), 3343-95-1(1), 527-06-0(1)","1868, 2810, 3371, 1997","High Reliability","Checked on PubChem, Stereochemistry removed, Manual Check passed"]
[3332,"CCCCCCCS\n\n\n","CCCCCCCS","CCCCCCCS","",1,"1-HEPTANETHIOL(1)","1639-09-4(1)","2949","High Reliability","-"]
[3333,"CNCC(O)C(O)C(O)C(O)CO\n\n\n","CNCC(C(C(C(CO)O)O)O)O","OCC(O)C(O)C(O)C(O)CNC","",1,"D-Glucitol, 1-deoxy-1-(methylamino)-(1)","6284-40-8(1)","3729","High Reliability","Stereochemistry removed"]
[3334,"CCOP(=S)(OCC)SCSCC\n\n\n","CCSCSP(=S)(OCC)OCC","O(CC)P(OCC)(=S)SCSCC","",1,"PHORATE(1)","298-02-2(1)","1689","High Reliability","-"]
[3335,"COP(=S)(OC)SCCSC(C)C\n\n\n","COP(=S)(SCCSC(C)C)OC","O(C)P(OC)(=S)SCCSC(C)C","",1,"ISOTHIOATE(1)","36614-38-7(1)","4633","High Reliability","-"]
[3336,"CCOP(=S)(OCC)SCS(=O)CC\n\n\n","CCOP(=S)(SCS(=O)CC)OCC","O=S(CC)CSP(OCC)(OCC)=S","",1,"PHORATE SULFOXIDE(1)","2588-03-6(1)","3245","High Reliability","-"]
[3337,"CCCOP(=O)(OC)OCCC\n\n\n","CCCOP(=O)(OCCC)OC","O=P(OC)(OCCC)OCCC","",1,"Phosphoric acid, methyl dipropyl ester(1)","92347-84-7(1)","5374","Medium Reliability","-"]
[3338,"CCCOP(=O)(OCC)OCC\n\n\n","CCCOP(=O)(OCC)OCC","O=P(OCC)(OCC)OCCC","",1,"Phosphoric acid, diethyl propyl ester(1)","814-22-2(1)","2693","High Reliability","-"]
[3339,"CCOP(=O)(OCC)SCS(=O)CC\n\n\n","CCOP(=O)(SCS(=O)CC)OCC","O=S(CC)CSP(=O)(OCC)OCC","",1,"PHORATE OXON SULFOXIDE(1)","2588-05-8(1)","3247","High Reliability","-"]
[3340,"CCOP(=S)(OCC)SCS(=O)(=O)CC\n\n\n","CCOP(=S)(SCS(=O)(=O)CC)OCC","O=S(=O)(CC)CSP(OCC)(OCC)=S","",1,"PHORATE SULFONE(1)","2588-04-7(1)","3246","High Reliability","-"]
[3341,"Oc1c(Br)cc(cc1Br)C#N\n\n\n","N#Cc1cc(Br)c(c(c1)Br)O","N#Cc1cc(c(O)c(c1)Br)Br","",1,"BROMOXYNIL(1)","1689-84-5(1)","2962","High Reliability","-"]
[3342,"OC(=O)c1c(Br)cc(Br)cc1Br\n\n\n","OC(=O)c1c(Br)cc(cc1Br)Br","O=C(O)c1c(cc(cc1Br)Br)Br","",1,"Benzoic acid, 2,4,6-tribromo-(1)","633-12-5(1)","2584","High Reliability","-"]
[3343,"Clc1cccc(Cl)c1C#N\n\n\n","N#Cc1c(Cl)cccc1Cl","N#Cc1c(cccc1Cl)Cl","",1,"2,6-DICHLOROBENZONITRILE(1)","1194-65-6(1)","2867","High Reliability","-"]
[3344,"OC(=O)c1c(Cl)c(Cl)ccc1Cl\nOC(=O)c1c(Cl)ccc(Cl)c1Cl\n\n","Clc1ccc(c(c1Cl)C(=O)O)Cl","O=C(O)c1c(ccc(c1Cl)Cl)Cl","",1,"2,3,6-TRICHLOROBENZOIC ACID(1)","50-31-7(1)","17","High Reliability","-"]
[3345,"OC(=O)c1cc(Cl)c(Cl)cc1Cl\n\n\n","Clc1cc(C(=O)O)c(cc1Cl)Cl","O=C(O)c1cc(c(cc1Cl)Cl)Cl","",1,"2,4,5-TRICHLOROBENZOIC ACID(1)","50-82-8(1)","34","High Reliability","-"]
[3346,"OCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl\nOC(Cl)(Cl)c1ccc(Cl)c(Cl)c1Cl\n\n","OCc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl","OCc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","",1,"pentachlorobenzylalcohol(1)","16022-69-8(1)","4089","Medium Reliability","Name verified in PubChem"]
[3347,"[O-][N+](=O)c1c(cc(Cl)cc1)C(F)(F)F\n[O-][N+](=O)c1ccc(Cl)cc1C(F)(F)F\n\n","Clc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1C(F)(F)F)Cl","",1,"4-CHLORO-1-NITRO-2(TRIFLUOROMETHYL)BENZENE(1)","118-83-2(1)","1326","High Reliability","-"]
[3348,"Oc1c(I)cc(cc1I)C#N\n\n\n","N#Cc1cc(I)c(c(c1)I)O","N#Cc1cc(c(O)c(c1)I)I","",1,"IOXYNIL(1)","1689-83-4(1)","2961","High Reliability","-"]
[3349,"OC(=O)c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc(cc(c1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","",1,"2,4,6-TRINITROBENZOIC ACID(1)","129-66-8(1)","1492","High Reliability","Checked on PubChem, Checked on ChemID"]
[3350,"Brc1cc(C=O)c(Br)cc1\nBrc1ccc(Br)c(C=O)c1\n\n","O=Cc1cc(Br)ccc1Br","O=Cc1cc(ccc1Br)Br","",1,"2,5-Dibromobenzaldehyde(1)","74553-29-0(1)","5209","Medium Reliability","-"]
[3351,"OC(=O)c1c(Br)c(O)c(O)c(O)c1Br\n\n\n","OC(=O)c1c(Br)c(O)c(c(c1Br)O)O","O=C(O)c1c(c(O)c(O)c(O)c1Br)Br","",1,"Benzoic acid, 2,6-dibromo-3,4,5-trihydroxy-(1)","602-92-6(1)","2371","Medium Reliability","Checked on PubChem, Checked on ChemID"]
[3352,"OC(=O)c1c(Cl)ccc(Br)c1\nOC(=O)c1cc(Br)ccc1Cl\n[O-]C(=O)c1cc(Br)ccc1Cl\n","Brc1ccc(c(c1)C(=O)O)Cl","O=C(O)c1cc(ccc1Cl)Br","",1,"Benzoic acid, 5-bromo-2-chloro-(1)","21739-92-4(1)","4301","High Reliability","-"]
[3353,"OC(=O)c1cc(c(Br)cc1)[N+]([O-])=O\nOC(=O)c1ccc(Br)c(c1)[N+]([O-])=O\n\n","[O-][N+](=O)c1cc(ccc1Br)C(=O)O","O=C(O)c1ccc(c(c1)[N+](=O)[O-])Br","",1,"Benzoic acid, 4-bromo-3-nitro-(1)","6319-40-0(1)","3740","High Reliability","-"]
[3354,"Brc1cccc(c1)N=C=S\n\n\n","S=C=Nc1cccc(c1)Br","C(=Nc1cccc(c1)Br)=S","",1,"BENZENE, 1-BROMO-3-ISOTHIOCYANATO-(1)","2131-59-1(1)","3102","High Reliability","-"]
[3355,"OC(=O)c1ccc(Cl)cc1Cl\n\n\n","Clc1ccc(c(c1)Cl)C(=O)O","O=C(O)c1ccc(cc1Cl)Cl","",1,"2,4-DICHLOROBENZOIC ACID(1)","50-84-0(1)","35","High Reliability","-"]
[3356,"OC(=O)c1cc(Cl)ccc1Cl\n\n\n","Clc1ccc(c(c1)C(=O)O)Cl","O=C(O)c1cc(ccc1Cl)Cl","",1,"2,5-DICHLOROBENZOIC ACID(1)","50-79-3(1)","32","High Reliability","-"]
[3357,"OC(=O)c1c(Cl)cccc1Cl\n\n\n","OC(=O)c1c(Cl)cccc1Cl","O=C(O)c1c(cccc1Cl)Cl","",1,"2,6-DICHLOROBENZOIC ACID(1)","50-30-6(1)","16","High Reliability","-"]
[3358,"OC(=O)c1cc(Cl)cc(Cl)c1\n\n\n","OC(=O)c1cc(Cl)cc(c1)Cl","O=C(O)c1cc(cc(c1)Cl)Cl","",1,"3,5-DICHLOROBENZOIC ACID(1)","51-36-5(1)","45","High Reliability","-"]
[3359,"OC(=O)c1ccc(Cl)c(Cl)c1\n\n\n","OC(=O)c1ccc(c(c1)Cl)Cl","O=C(O)c1ccc(c(c1)Cl)Cl","",1,"3,4-DICHLOROBENZOIC ACID(1)","51-44-5(1)","48","High Reliability","-"]
[3360,"OC(=O)COc1c(Cl)cc(Cl)c(Cl)n1\nOC(=O)COc1nc(Cl)c(Cl)cc1Cl\n\n","OC(=O)COc1nc(Cl)c(cc1Cl)Cl","O=C(O)COc1nc(c(cc1Cl)Cl)Cl","",1,"TRICLOPYR(1)","55335-06-3(1)","4911","High Reliability","-"]
[3361,"COc1cc(Cl)c(Cl)c(Cl)c1Cl\n\n\n","COc1cc(Cl)c(c(c1Cl)Cl)Cl","O(c1cc(c(c(c1Cl)Cl)Cl)Cl)C","",1,"2,3,4,5-TETRACHLOROANISOLE(1)","938-86-3(1)","2762","High Reliability","-"]
[3362,"COc1c(Cl)c(Cl)cc(Cl)c1Cl\n\n\n","COc1c(Cl)c(Cl)cc(c1Cl)Cl","O(c1c(c(cc(c1Cl)Cl)Cl)Cl)C","",1,"BENZENE, 1,2,4,5-TETRACHLORO-3-METHOXY-(1)","6936-40-9(1)","3798","High Reliability","Checked on PubChem, Checked on ChemID"]
[3363,"Cc1c(Cl)c(Cl)c(Cl)c(O)c1Cl\n\n\n","Cc1c(Cl)c(O)c(c(c1Cl)Cl)Cl","Oc1c(c(c(c(c1Cl)Cl)Cl)C)Cl","",1,"Phenol, 2,3,4,6-tetrachloro-5-methyl-(1)","10460-33-0(1)","3923","Medium Reliability","-"]
[3364,"COc1c(Cl)c(Cl)c(Cl)c(Cl)c1O\nCOc1cc(Cl)c(Cl)c(Cl)c1OCl\n\n","COc1c(O)c(Cl)c(c(c1Cl)Cl)Cl","Oc1c(OC)c(c(c(c1Cl)Cl)Cl)Cl","",1,"tetrachloroguaiacol(1)","2539-17-5(1)","3232","High Reliability","Name verified in PubChem"]
[3365,"OC(=O)c1c(ccc(Cl)c1)[N+]([O-])=O\nOC(=O)c1cc(Cl)ccc1[N+]([O-])=O\n\n","Clc1ccc(c(c1)C(=O)O)[N+](=O)[O-]","O=C(O)c1cc(ccc1[N+](=O)[O-])Cl","",1,"2-NITRO-5-CHLOROBENZOIC ACID(1)","2516-95-2(1)","3226","Medium Reliability","-"]
[3366,"OC(=O)c1c(c(Cl)ccc1)[N+]([O-])=O\nOC(=O)c1cccc(Cl)c1[N+]([O-])=O\n[O-]C(=O)c1cccc(Cl)c1[N+]([O-])=O\n","[O-][N+](=O)c1c(Cl)cccc1C(=O)O","O=C(O)c1cccc(c1[N+](=O)[O-])Cl","",1,"3-Chloro-2-nitrobenzoic acid(1)","4771-47-5(1)","3533","High Reliability","-"]
[3367,"OC(=O)c1cc(ccc1Cl)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)C(=O)O)Cl","O=C(O)c1cc(ccc1Cl)[N+](=O)[O-]","",1,"2-CHLORO-5-NITROBENZOIC ACID(1)","2516-96-3(1)","3227","High Reliability","-"]
[3368,"Clc1cccc(c1)N=C=S\n\n\n","S=C=Nc1cccc(c1)Cl","C(=Nc1cccc(c1)Cl)=S","",1,"1-CHLORO-3-ISOTHIOCYANATO-BENZENE(1)","2392-68-9(1)","3189","Medium Reliability","-"]
[3369,"Oc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F\nOc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O\n\n","Oc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]","O=[N+]([O-])c1ccc(O)cc1C(F)(F)F","",1,"3-TRIFLUOROMETHYL-4-NITROPHENOL(1)","88-30-2(1)","614","Medium Reliability","-"]
[3370,"OC(=O)c1cc(c(F)cc1)[N+]([O-])=O\nOC(=O)c1ccc(F)c(c1)[N+]([O-])=O\n\n","[O-][N+](=O)c1cc(ccc1F)C(=O)O","O=C(O)c1ccc(F)c(c1)[N+](=O)[O-]","",1,"Benzoic acid, 4-fluoro-3-nitro-(1)","453-71-4(1)","1796","High Reliability","-"]
[3371,"Oc1c(C=O)cc(I)cc1I\nOc1c(I)cc(I)cc1C=O\n\n","O=Cc1cc(I)cc(c1O)I","O=Cc1cc(cc(c1(O))I)I","",1,"Benzaldehyde, 2-hydroxy-3,5-diiodo-(1)","2631-77-8(1)","3262","High Reliability","-"]
[3372,"OC(=O)c1c(O)c(I)cc(I)c1\nOC(=O)c1cc(I)cc(I)c1O\n\n","Ic1cc(I)c(c(c1)C(=O)O)O","O=C(O)c1cc(cc(c1(O))I)I","",1,"3,5-DIIODOSALICYLIC ACID(1)","133-91-5(1)","1518","High Reliability","-"]
[3373,"OC(=O)c1cc(c(cc1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O","O=C(O)c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]","",1,"3,4-DINITROBENZOIC ACID(1)","528-45-0(1)","2007","High Reliability","-"]
[3374,"OC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","",1,"3,5-DINITROBENZOIC ACID(1)","99-34-3(1)","845","High Reliability","-"]
[3375,"OC(=O)c1c(cc(cc1)[N+]([O-])=O)[N+]([O-])=O\nOC(=O)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O\n\n","[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-]","O=C(O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]","",1,"2,4-DINITROBENZOIC ACID(1)","610-30-0(1)","2408","High Reliability","-"]
[3376,"OC(=O)c1cc(=O)cc(o1)C(O)=O\n\n\n","OC(=O)c1oc(cc(=O)c1)C(=O)O","O=C(O)C=1OC(=CC(=O)C=1)C(=O)O","",1,"4-OXO-4H-PYRAN-2,6-DICARBOXYLIC ACID(1)","99-32-1(1)","844","High Reliability","-"]
[3377,"OC(=O)c1cc(=O)c(O)c(o1)C(O)=O\nOC(O)=C1OC(=CC(=O)C1=O)C(O)=O\n\n","OC(=O)c1cc(=O)c(c(o1)C(=O)O)O","O=C(O)C=1OC(C(=O)O)=C(O)C(=O)C=1","",1,"3-HYDROXY-4-OXO-4H-PYRAN-2,6-DICARBOXYLIC ACID(1)","497-59-6(1)","1898","High Reliability","-"]
[3378,"Oc1ccc(Br)ccc1=O\n\n\n","Brc1ccc(=O)c(cc1)O","O=C1C=CC(=CC=C1(O))Br","",1,"2,4,6-Cycloheptatrien-1-one, 5-bromo-2-hydroxy-(1)","3172-00-7(1)","3342","Medium Reliability","-"]
[3379,"Oc1c(Br)ccccc1=O\n\n\n","Oc1c(Br)ccccc1=O","O=C1C=CC=CC(=C1(O))Br","",1,"2,4,6-Cycloheptatrien-1-one, 3-bromo-2-hydroxy-(1)","4584-68-3(1)","3512","High Reliability","-"]
[3380,"Oc1c(C=O)cc(Br)cc1\nOc1ccc(Br)cc1C=O\n\n","O=Cc1cc(Br)ccc1O","O=Cc1cc(ccc1(O))Br","",1,"Benzaldehyde, 5-bromo-2-hydroxy-(1)","1761-61-1(1)","2983","High Reliability","-"]
[3381,"OC(=O)c1cc(Br)ccc1\n\n\n","Brc1cccc(c1)C(=O)O","O=C(O)c1cccc(c1)Br","",1,"M-BROMOBENZOIC ACID(1)","585-76-2(1)","2251","High Reliability","-"]
[3382,"OC(=O)c1ccc(Br)cc1\n\n\n","OC(=O)c1ccc(cc1)Br","O=C(O)c1ccc(cc1)Br","",1,"P-BROMOBENZOIC ACID(1)","586-76-5(1)","2259","High Reliability","-"]
[3383,"Oc1c(Br)cc(C=O)cc1\nOc1ccc(C=O)cc1Br\n\n","O=Cc1ccc(c(c1)Br)O","O=Cc1ccc(O)c(c1)Br","",1,"BENZALDEHYDE, 3-BROMO-4-HYDROXY-(1)","2973-78-6(1)","3304","High Reliability","-"]
[3384,"OC(=O)c1c(Br)cccc1\nBrOC(=O)c1ccccc1\nOC(=O)c1ccccc1Br\n","OC(=O)c1ccccc1Br","O=C(O)c1ccccc1Br","",1,"o-bromobenzoicacid(1)","88-65-3(1)","616","High Reliability","Name verified in PubChem"]
[3385,"Nc1c(Cl)c(F)nc(OCC(O)=O)c1Cl\n\n\n","OC(=O)COc1nc(F)c(c(c1Cl)N)Cl","O=C(O)COc1nc(F)c(c(N)c1Cl)Cl","",1,"Fluroxypyr(1)","69377-81-7(1)","5119","High Reliability","-"]
[3386,"NC(=O)c1c(Cl)cccc1Cl\n\n\n","NC(=O)c1c(Cl)cccc1Cl","O=C(N)c1c(cccc1Cl)Cl","",1,"2,6-DICHLOROBENZAMIDE(1)","2008-58-4(1)","3065","High Reliability","-"]
[3387,"Nc1c(Cl)c(cc(Cl)c1)C(O)=O\nNc1cc(Cl)cc(C(O)=O)c1Cl\n\n","Clc1cc(N)c(c(c1)C(=O)O)Cl","O=C(O)c1cc(cc(N)c1Cl)Cl","",1,"3-AMINO-2,5-DICHLOROBENZOIC ACID(1)","133-90-4(1)","1517","High Reliability","-"]
[3388,"NC(=S)c1c(Cl)cccc1Cl\n\n\n","NC(=S)c1c(Cl)cccc1Cl","NC(c1c(cccc1Cl)Cl)=S","",1,"CHLORTHIAMID(1)","1918-13-4(1)","3028","High Reliability","-"]
[3389,"ClC(Cl)(Cl)c1ccccc1\n\n\n","ClC(c1ccccc1)(Cl)Cl","c1ccc(cc1)C(Cl)(Cl)Cl","",1,"BENZOTRICHLORIDE(1)","98-07-7(1)","810","High Reliability","-"]
[3390,"COc1c(Cl)c(Cl)c(Cl)cc1\n\n\n","COc1ccc(c(c1Cl)Cl)Cl","O(c1ccc(c(c1Cl)Cl)Cl)C","",1,"1,2,3-TRICHLORO-4-METHOXYBENZENE(1)","54135-80-7(1)","4887","High Reliability","-"]
[3391,"COc1c(Cl)cc(Cl)cc1Cl\n\n\n","COc1c(Cl)cc(cc1Cl)Cl","O(c1c(cc(cc1Cl)Cl)Cl)C","",1,"2,4,6-TRICHLOROANISOLE(1)","87-40-1(1)","587","High Reliability","-"]
[3392,"Cc1c(Cl)c(O)c(Cl)cc1Cl\n\n\n","Cc1c(Cl)cc(c(c1Cl)O)Cl","Oc1c(cc(c(c1Cl)C)Cl)Cl","",1,"2,4,6-TRICHLORO-3-METHYLPHENOL(1)","551-76-8(1)","2128","High Reliability","-"]
[3393,"OCc1cc(Cl)c(Cl)c(Cl)c1\n\n\n","OCc1cc(Cl)c(c(c1)Cl)Cl","OCc1cc(c(c(c1)Cl)Cl)Cl","",1,"Benzenemethanol, 3,4,5-trichloro-(1)","7520-67-4(1)","3854","Medium Reliability","-"]
[3394,"COc1c(Cl)c(Cl)c(Cl)cc1O\n\n\n","COc1c(O)cc(c(c1Cl)Cl)Cl","Oc1cc(c(c(c1(OC))Cl)Cl)Cl","",1,"3,4,5-TRICHLORO-2-METHOXYPHENOL(1)","57057-83-7(1)","4940","High Reliability","-"]
[3395,"OC(=O)c1cccc(Cl)c1\n\n\n","Clc1cccc(c1)C(=O)O","O=C(O)c1cccc(c1)Cl","",1,"M-CHLOROBENZOIC ACID(1)","535-80-8(1)","2036","High Reliability","-"]
[3396,"OC(=O)c1ccc(Cl)cc1\n\n\n","OC(=O)c1ccc(cc1)Cl","O=C(O)c1ccc(cc1)Cl","",1,"4-CHLOROBENZOIC ACID(1)","74-11-3(1)","305","High Reliability","-"]
[3397,"OC(=O)c1ccccc1Cl\n\n\n","OC(=O)c1ccccc1Cl","O=C(O)c1ccccc1Cl","",1,"2-CHLOROBENZOIC ACID(1)","118-91-2(1)","1328","High Reliability","-"]
[3398,"OC(=O)c1c(O)ccc(Cl)c1\nOC(=O)c1cc(Cl)ccc1O\n\n","Clc1ccc(c(c1)C(=O)O)O","O=C(O)c1cc(ccc1(O))Cl","",1,"5-CHLOROSALICYLIC ACID(1)","321-14-2(1)","1728","High Reliability","-"]
[3399,"OC(=O)c1c(O)c(Cl)ccc1\nOC(=O)c1cccc(Cl)c1O\n\n","OC(=O)c1cccc(c1O)Cl","O=C(O)c1cccc(c1(O))Cl","",1,"Benzoic acid, 3-chloro-2-hydroxy-(1)","1829-32-9(1)","2994","Medium Reliability","-"]
[3400,"FC(F)(F)c1ccccc1\n\n\n","FC(c1ccccc1)(F)F","FC(F)(F)c1ccccc1","",1,"BENZOTRIFLUORIDE(1)","98-08-8(1)","811","High Reliability","-"]
[3401,"OC(=O)c1cc(F)ccc1\n\n\n","Fc1cccc(c1)C(=O)O","O=C(O)c1cccc(F)c1","",1,"M-FLUOROBENZOIC ACID(1)","455-38-9(1)","1797","High Reliability","-"]
[3402,"OC(=O)c1ccc(F)cc1\n\n\n","OC(=O)c1ccc(cc1)F","O=C(O)c1ccc(F)cc1","",1,"P-FLUOROBENZOIC ACID(1)","456-22-4(1)","1798","High Reliability","-"]
[3403,"OC(=O)c1ccccc1F\n\n\n","OC(=O)c1ccccc1F","O=C(O)c1ccccc1(F)","",1,"2-FLUOROBENZOIC ACID(1)","445-29-4(1)","1790","High Reliability","-"]
[3404,"OCCNCCO.OC(=O)Cn1cc(I)c(=O)c(I)c1\nOCC[NH2+]CCO.[O-]C(=O)Cn1cc(I)c(=O)c(c1)I\n\n","OC(=O)Cn1cc(I)c(=O)c(c1)I","O=C(O)CN1C=C(C(=O)C(=C1)I)I","",1,"Iodopyracet(1)","300-37-8(1)","1701","High Reliability","Differences in counterions, Organic counterion"]
[3405,"OC(=O)c1cc(I)ccc1\n\n\n","Ic1cccc(c1)C(=O)O","O=C(O)c1cccc(c1)I","",1,"3-IODOBENZOIC ACID(1)","618-51-9(1)","2464","High Reliability","-"]
[3406,"OC(=O)c1ccc(I)cc1\n\n\n","OC(=O)c1ccc(cc1)I","O=C(O)c1ccc(cc1)I","",1,"4-IODOBENZOIC ACID(1)","619-58-9(1)","2472","High Reliability","-"]
[3407,"OC(=O)c1ccccc1I\n\n\n","OC(=O)c1ccccc1I","O=C(O)c1ccccc1I","",1,"2-IODOBENZOIC ACID(1)","88-67-5(1)","617","High Reliability","-"]
[3408,"N#Cc1ccccc1\n\n\n","N#Cc1ccccc1","N#Cc1ccccc1","",1,"BENZONITRILE(1)","100-47-0(1)","881","High Reliability","-"]
[3409,"O=c1nc[nH]c2c1nccc2\nO=c1nc[nH]c2cccnc12\n\n","O=c1nc[nH]c2c1nccc2","O=C1N=CNc2cccnc12","",1,"Pyrido[3,2-d]pyrimidin-4(1H)-one(1)","37538-67-3(1)","4647","Medium Reliability","-"]
[3410,"Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])C)[N+](=O)[O-]","",1,"2,4,6-TRINITROTOLUENE(1)","118-96-7(1)","1330","High Reliability","-"]
[3411,"COc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(c(OC)c(c1)[N+](=O)[O-])[N+](=O)[O-]","",1,"2,4,6-TRINITROANISOLE(1)","606-35-9(1)","2385","Medium Reliability","-"]
[3412,"Cc1c(c(O)c(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])O","O=[N+]([O-])c1cc(c(c(c1(O))[N+](=O)[O-])C)[N+](=O)[O-]","",1,"3-METHYL-2,4,6-TRINITROPHENOL(1)","602-99-3(1)","2372","High Reliability","-"]
[3413,"CN(c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])N([N+](=O)[O-])C)[N+](=O)[O-]","",1,"TETRYL(1)","479-45-8(1)","1844","High Reliability","-"]
[3414,"o1cnc2ccccc12\n\n\n","c1ccc2c(c1)ocn2","n1coc2ccccc12","",1,"BENZOXAZOLE(1)","273-53-0(1)","1675","High Reliability","-"]
[3415,"[O-][N+](=O)c1ccc(C=O)cc1\n\n\n","O=Cc1ccc(cc1)[N+](=O)[O-]","O=Cc1ccc(cc1)[N+](=O)[O-]","",1,"4-NITROBENZALDEHYDE(1)","555-16-8(1)","2146","High Reliability","-"]
[3416,"[O-][N+](=O)c1cccc(C=O)c1\n\n\n","O=Cc1cccc(c1)[N+](=O)[O-]","O=Cc1cccc(c1)[N+](=O)[O-]","",1,"M-NITROBENZALDEHYDE(1)","99-61-6(1)","852","High Reliability","-"]
[3417,"[O-][N+](=O)c1c(C=O)cccc1\n[O-][N+](=O)c1ccccc1C=O\n\n","O=Cc1ccccc1[N+](=O)[O-]","O=Cc1ccccc1[N+](=O)[O-]","",1,"O-NITROBENZALDEHYDE(1)","552-89-6(1)","2134","High Reliability","-"]
[3418,"O=C1NS(=O)(=O)c2c1cccc2\nO=C1NS(=O)(=O)c2ccccc12\n\n","O=C1NS(=O)(=O)c2c1cccc2","O=C1NS(=O)(=O)c2ccccc12","",1,"1,1-DIOX-1,2-BENZISOTHIAZOL-3-ONE(1)","81-07-2(1)","503","Medium Reliability","-"]
[3419,"Oc1c(cc(C=O)cc1)[N+]([O-])=O\nOc1ccc(C=O)cc1[N+]([O-])=O\n\n","O=Cc1ccc(c(c1)[N+](=O)[O-])O","O=Cc1ccc(O)c(c1)[N+](=O)[O-]","",1,"4-FORMYL-2-NITROPHENOL(1)","3011-34-5(1)","3313","High Reliability","-"]
[3420,"OC(=O)c1ccc(nc1)C(O)=O\n\n\n","OC(=O)c1ccc(cn1)C(=O)O","O=C(O)c1ncc(cc1)C(=O)O","",1,"PYRIDINE-2,5-DICARBOXYLIC ACID(1)","100-26-5(1)","873","High Reliability","-"]
[3421,"OC(=O)c1c(cncc1)C(O)=O\nOC(=O)c1ccncc1C(O)=O\n\n","OC(=O)c1cnccc1C(=O)O","O=C(O)c1cnccc1(C(=O)O)","",1,"CINCHOMERONIC ACID(1)","490-11-9(1)","1872","High Reliability","-"]
[3422,"OC(=O)c1cc(ncc1)C(O)=O\n\n\n","OC(=O)c1ccnc(c1)C(=O)O","O=C(O)c1nccc(c1)C(=O)O","",1,"2,4-PYRIDINEDICARBOXYLIC ACID(1)","499-80-9(1)","1908","High Reliability","-"]
[3423,"OC(=O)c1cccc(n1)C(O)=O\n\n\n","OC(=O)c1cccc(n1)C(=O)O","O=C(O)c1nc(ccc1)C(=O)O","",1,"PYRIDINE-2,6-DICARBOXYLIC ACID(1)","499-83-2(1)","1910","High Reliability","-"]
[3424,"OC(=O)c1c(nccc1)C(O)=O\nOC(=O)c1cccnc1C(O)=O\n\n","OC(=O)c1ncccc1C(=O)O","O=C(O)c1ncccc1(C(=O)O)","",1,"QUINOLINIC ACID(1)","89-00-9(1)","627","High Reliability","-"]
[3425,"OC(=O)c1ccc(cc1)[N+]([O-])=O\n\n\n","OC(=O)c1ccc(cc1)[N+](=O)[O-]","O=C(O)c1ccc(cc1)[N+](=O)[O-]","",1,"P-NITROBENZOIC ACID(1)","62-23-7(1)","204","High Reliability","-"]
[3426,"OC(=O)c1cccc(c1)[N+]([O-])=O\n\n\n","OC(=O)c1cccc(c1)[N+](=O)[O-]","O=C(O)c1cccc(c1)[N+](=O)[O-]","",1,"M-NITROBENZOIC ACID(1)","121-92-6(1)","1383","High Reliability","-"]
[3427,"OC(=O)c1ccccc1[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccccc1C(=O)O","O=C(O)c1ccccc1[N+](=O)[O-]","",1,"2-NITROBENZOIC ACID(1)","552-16-9(1)","2129","High Reliability","-"]
[3428,"OC(=O)c1c(O)ccc(c1)[N+]([O-])=O\nOC(=O)c1cc(ccc1O)[N+]([O-])=O\n\n","[O-][N+](=O)c1ccc(c(c1)C(=O)O)O","O=C(O)c1cc(ccc1(O))[N+](=O)[O-]","",1,"5-NITROSALICYLIC ACID(1)","96-97-9(1)","789","Medium Reliability","-"]
[3429,"Sc1nc2ccccc2o1\nS=c1[nH]c2ccccc2o1\n\n","Sc1nc2c(o1)cccc2","n1c(oc2ccccc12)S","",1,"2(3H)-Benzoxazolethione(1)","2382-96-9(1)","3186","High Reliability","-"]
[3430,"Oc1c2ncsc2ccc1\nOc1cccc2scnc12\n\n","Oc1cccc2c1ncs2","Oc2cccc1c2(ncs1)","",1,"4-Benzothiazolol(1)","7405-23-4(1)","3838","High Reliability","-"]
[3431,"s1cnc2ccccc12\n\n\n","c1ccc2c(c1)scn2","n1csc2ccccc12","",1,"BENZOTHIAZOLE(1)","95-16-9(1)","741","High Reliability","-"]
[3432,"S=C=Nc1ccccc1\n\n\n","S=C=Nc1ccccc1","C(=Nc1ccccc1)=S","",1,"PHENYLISOTHIOCYANATE(1)","103-72-0(1)","938","High Reliability","-"]
[3433,"Sc1nc2c(s1)cccc2\nSc1sc2ccccc2n1\nS=c1[nH]c2ccccc2s1\n","Sc1nc2c(s1)cccc2","n2c1ccccc1sc2S","",1,"2-MERCAPTOBENZOTHIAZOLE(1)","149-30-4(1)","1619","High Reliability","-"]
[3434,"Cc1cc(Cl)c(Cl)cc1\n\n\n","Cc1ccc(c(c1)Cl)Cl","c1cc(c(cc1C)Cl)Cl","",1,"3,4-DICHLOROTOLUENE(1)","95-75-0(1)","755","High Reliability","-"]
[3435,"ClC(Cl)c1ccccc1\n\n\n","ClC(c1ccccc1)Cl","c1ccc(cc1)C(Cl)Cl","",1,"(DICHLOROMETHYL)BENZENE(1)","98-87-3(1)","829","High Reliability","-"]
[3436,"NC(=O)c1cc(Cl)cc(Cl)c1N\n\n\n","Clc1cc(Cl)c(c(c1)C(=O)N)N","O=C(N)c1cc(cc(c1(N))Cl)Cl","",1,"BENZAMIDE, 2-AMINO-3,5-DICHLORO-(1)","36765-01-2(1)","4638","High Reliability","Checked on PubChem, Checked on ChemID"]
[3437,"COc1c(Cl)c(Cl)ccc1\nCOc1cccc(Cl)c1Cl\n\n","COc1cccc(c1Cl)Cl","O(c1cccc(c1Cl)Cl)C","",1,"Benzene, 1,2-dichloro-3-methoxy-(1)","1984-59-4(1)","3059","High Reliability","-"]
[3438,"COc1c(Cl)cccc1Cl\n\n\n","COc1c(Cl)cccc1Cl","O(c1c(cccc1Cl)Cl)C","",1,"Benzene, 1,3-dichloro-2-methoxy-(1)","1984-65-2(1)","3060","High Reliability","-"]
[3439,"Cc1c(O)c(Cl)cc(Cl)c1\n\n\n","Clc1cc(C)c(c(c1)Cl)O","Oc1c(cc(cc1Cl)Cl)C","",1,"4,6-DICHLORO-O-CRESOL(1)","1570-65-6(1)","2929","High Reliability","-"]
[3440,"Cc1cc(Cl)c(O)c(Cl)c1\n\n\n","Cc1cc(Cl)c(c(c1)Cl)O","Oc1c(cc(cc1Cl)C)Cl","",1,"4-METHYL-2,6-DICHLOROPHENOL(1)","2432-12-4(1)","3203","High Reliability","-"]
[3441,"OCc1c(Cl)cccc1Cl\n\n\n","OCc1c(Cl)cccc1Cl","OCc1c(cccc1Cl)Cl","",1,"BENZENEMETHANOL, 2,6-DICHLORO-(1)","15258-73-8(1)","4061","High Reliability","-"]
[3442,"OCc1cc(Cl)c(Cl)cc1\nOCc1ccc(Cl)c(Cl)c1\n\n","OCc1ccc(c(c1)Cl)Cl","OCc1ccc(c(c1)Cl)Cl","",1,"3,4-DICHLOROBENZYL ALCOHOL(1)","1805-32-9(1)","2989","High Reliability","-"]
[3443,"OCc1c(Cl)cc(Cl)cc1\nOCc1ccc(Cl)cc1Cl\n\n","OCc1ccc(cc1Cl)Cl","OCc1ccc(cc1Cl)Cl","",1,"BENZENEMETHANOL, 2,4-DICHLORO-(1)","1777-82-8(1)","2985","High Reliability","-"]
[3444,"Fc1ccc(CCl)cc1\n\n\n","ClCc1ccc(cc1)F","Fc1ccc(cc1)CCl","",1,"P-FLUOROBENZYL CHLORIDE(1)","352-11-4(1)","1747","Medium Reliability","-"]
[3445,"Fc1cccc(CCl)c1\n\n\n","ClCc1cccc(c1)F","Fc1cccc(c1)CCl","",1,"M-FLUOROBENZYL CHLORIDE(1)","456-42-8(1)","1799","High Reliability","-"]
[3446,"Fc1c(CCl)cccc1\n\n\n","ClCc1ccccc1F","Fc1ccccc1CCl","",1,"O-FLUOROBENZYL CHLORIDE(1)","345-35-7(1)","1745","High Reliability","-"]
[3447,"NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O\nNS(=O)(=O)c1cc2c(NC=NS2(=O)=O)cc1Cl\n\n","Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N","O=S(=O)(N)c2cc1c(N=CNS1(=O)(=O))cc2Cl","",1,"CHLOROTHIAZIDE(1)","58-94-6(1)","162","High Reliability","-"]
[3448,"Cc1cc(O)c(cc1Cl)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cc(Cl)c(cc1O)C","O=[N+]([O-])c1cc(c(cc1(O))C)Cl","",1,"4-CHLORO-5-METHYL-2-NITROPHENOL(1)","7147-89-9(1)","3817","High Reliability","-"]
[3449,"Nc1cc(ccc1)C(F)(F)F\n\n\n","Nc1cccc(c1)C(F)(F)F","FC(F)(F)c1cccc(N)c1","",1,"3-TRIFLUOROMETHYLANILINE(1)","98-16-8(1)","813","High Reliability","-"]
[3450,"[nH]1ncc2ccccc12\n\n\n","c1ccc2c(c1)[nH]nc2","n1cc2ccccc2([nH]1)","",1,"INDAZOLE(1)","271-44-3(1)","1673","High Reliability","-"]
[3451,"[nH]1cnc2c1cccc2\n[nH]1cnc2ccccc12\n\n","c1ccc2c(c1)[nH]cn2","n1c[nH]c2ccccc12","",1,"BENZIMIDAZOLE(1)","51-17-2(1)","39","High Reliability","-"]
[3452,"Nc1cccc(c1)C#N\n\n\n","N#Cc1cccc(c1)N","N#Cc1cccc(N)c1","",1,"M-AMINOBENZONITRILE(1)","2237-30-1(1)","3142","High Reliability","-"]
[3453,"NC1=NS(=O)(=O)c2ccccc12\n\n\n","NC1=NS(=O)(=O)c2c1cccc2","O=S2(=O)(N=C(N)c1ccccc12)","",1,"1,2-Benzisothiazol-3-amine, 1,1-dioxide(1)","7668-28-2(1)","3866","High Reliability","-"]
[3454,"Cc1c(cc(cc1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C","O=[N+]([O-])c1ccc(c(c1)[N+](=O)[O-])C","",1,"2,4-DINITROTOLUENE(1)","121-14-2(1)","1368","High Reliability","-"]
[3455,"Cc1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1[N+](=O)[O-])C","",1,"1,2-DINO2 4-METHYL BENZENE(1)","610-39-9(1)","2409","Medium Reliability","-"]
[3456,"Cc1c(cccc1[N+]([O-])=O)[N+]([O-])=O\n\n\n","Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cccc(c1C)[N+](=O)[O-]","",1,"2,6-DINITROTOLUENE(1)","606-20-2(1)","2382","High Reliability","-"]
[3457,"Nc1c(cc(cc1)[N+]([O-])=O)C(O)=O\nNc1ccc(cc1C(O)=O)[N+]([O-])=O\n\n","[O-][N+](=O)c1ccc(c(c1)C(=O)O)N","O=C(O)c1cc(ccc1(N))[N+](=O)[O-]","",1,"2-AMINO-5-NITROBENZOIC ACID(1)","616-79-5(1)","2451","High Reliability","-"]
[3458,"COc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O\n\n\n","COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1ccc(OC)c(c1)[N+](=O)[O-]","",1,"2,4-DINITROANISOLE(1)","119-27-7(1)","1334","High Reliability","-"]
[3459,"Cc1c(O)c(cc(c1)[N+]([O-])=O)[N+]([O-])=O\nCc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O\n\n","[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(c(O)c(c1)C)[N+](=O)[O-]","",1,"4,6-DINITRO-O-CRESOL(1)","534-52-1(1)","2032","High Reliability","-"]
[3460,"Nc1nc2c(O)cccc2s1\n\n\n","Nc1sc2c(n1)c(O)ccc2","Oc2cccc1c2(nc(N)s1)","",1,"4-Benzothiazolol, 2-amino-(1)","7471-03-6(1)","3845","High Reliability","-"]
[3461,"Nc1ccc(SC#N)cc1\n\n\n","N#CSc1ccc(cc1)N","N#CSc1ccc(N)cc1","",1,"Thiocyanic acid, 4-aminophenyl ester(1)","2987-46-4(1)","3309","High Reliability","-"]
[3462,"Cc1nc2nccnc2cn1\nCc1ncc2nccnc2n1\n\n","Cc1ncc2c(n1)nccn2","n1ccnc2cnc(nc12)C","",1,"Pteridine, 2-methyl-(1)","2432-20-4(1)","3204","Medium Reliability","-"]
[3463,"Cc1nc2ncncc2nc1\nCc1cnc2cncnc2n1\n\n","Cc1cnc2c(n1)ncnc2","n1cnc2nc(cnc2(c1))C","",1,"Pteridine, 7-methyl-(1)","936-40-3(1)","2759","Medium Reliability","-"]
[3464,"Cc1ncnc2nccnc12\n\n\n","Cc1ncnc2c1nccn2","n1cnc(c2nccnc12)C","",1,"Pteridine, 4-methyl-(1)","2432-21-5(1)","3205","Medium Reliability","-"]
[3465,"Cn1cnc2c(nccn2)c1=O\nCn1cnc2nccnc2c1=O\n\n","Cn1cnc2c(c1=O)nccn2","O=C1c2nccnc2(N=CN1C)","",1,"4(3H)-Pteridinone, 3-methyl-(1)","24851-65-8(1)","4366","Medium Reliability","-"]
[3466,"Cn1cc2nccnc2nc1=O\n\n\n","Cn1cc2nccnc2nc1=O","O=C1N=C2N=CC=NC2(=CN1C)","",1,"2(3H)-Pteridinone, 3-methyl-(1)","89795-86-8(1)","5341","Medium Reliability","-"]
[3467,"Cn1c(=O)cnc2cncnc12\n\n\n","Cn1c(=O)cnc2c1ncnc2","O=C2C=Nc1cncnc1N2C","",1,"7(8H)-Pteridinone, 8-methyl-(1)","102169-81-3(1)","5471","Medium Reliability","-"]
[3468,"Cn1c(=O)ncc2nccnc12\n\n\n","Cn1c(=O)ncc2c1nccn2","O=C2N=Cc1nccnc1N2C","",1,"2(1H)-Pteridinone, 1-methyl-(1)","102170-45-6(1)","5473","Medium Reliability","-"]
[3469,"COc1ncc2nccnc2n1\n\n\n","COc1ncc2c(n1)nccn2","n1ccnc2cnc(nc12)OC","",1,"Pteridine, 2-methoxy-(1)","102170-44-5(1)","5472","Medium Reliability","-"]
[3470,"COc1ncnc2c1nccn2\nCOc1ncnc2nccnc12\n\n","COc1ncnc2c1nccn2","n1cnc(OC)c2nccnc12","",1,"Pteridine, 4-methoxy-(1)","30564-38-6(1)","4510","Medium Reliability","-"]
[3471,"CSc1nc2nccnc2cn1\nCSc1ncc2nccnc2n1\n\n","CSc1ncc2c(n1)nccn2","n1ccnc2cnc(nc12)SC","",1,"Pteridine, 2-(methylthio)-(1)","16878-77-6(1)","4125","Medium Reliability","-"]
[3472,"CSc1ncnc2c1nccn2\nCSc1ncnc2nccnc12\n\n","CSc1ncnc2c1nccn2","n1cnc(c2nccnc12)SC","",1,"Pteridine, 4-(methylthio)-(1)","6966-78-5(1)","3804","High Reliability","-"]
[3473,"O=Cc1ccccc1\n\n\n","O=Cc1ccccc1","O=Cc1ccccc1","",1,"BENZALDEHYDE(1)","100-52-7(1)","884","High Reliability","-"]
[3474,"Oc1ccc(C=O)cc1\n\n\n","O=Cc1ccc(cc1)O","O=Cc1ccc(O)cc1","",1,"4-HYDROXYBENZALDEHYDE(1)","123-08-0(1)","1404","High Reliability","-"]
[3475,"Oc1cccc(C=O)c1\n\n\n","O=Cc1cccc(c1)O","O=Cc1cccc(O)c1","",1,"3-HYDROXYBENZALDEHYDE(1)","100-83-4(1)","900","High Reliability","-"]
[3476,"Oc1ccccc1C=O\n\n\n","O=Cc1ccccc1O","O=Cc1ccccc1(O)","",1,"O-HYDROXYBENZALDEHYDE(1)","90-02-8(1)","646","High Reliability","-"]
[3477,"OC(=O)c1ccccc1\n[Na+].[O-]C(=O)c1ccccc1\nOC(=O)c1c(c(c(c(c1[2H])[2H])[2H])[2H])[2H]\n","OC(=O)c1ccccc1","O=C(O)c1ccccc1","",3,"BENZOIC ACID(1), BENZOIC ACID, SODIUM SALT(1), Benzoic-d5 acid(1)","65-85-0(1), 532-32-1(1), 1079-02-3(1)","239, 2021, 2818","High Reliability","Checked on PubChem, Checked on ChemID"]
[3478,"Oc1c(O)cc(C=O)cc1\nOc1ccc(C=O)cc1O\n\n","O=Cc1ccc(c(c1)O)O","O=Cc1ccc(O)c(O)c1","",1,"3,4-Dihydroxybenzaldehyde(1)","139-85-5(1)","1547","High Reliability","-"]
[3479,"Oc1cc(C=O)c(O)cc1\nOc1ccc(O)c(C=O)c1\n\n","O=Cc1cc(O)ccc1O","O=Cc1cc(O)ccc1(O)","",1,"2,5-Dihydroxybenzaldehyde(1)","1194-98-5(1)","2868","High Reliability","-"]
[3480,"OC(=O)c1cc(O)ccc1\n\n\n","Oc1cccc(c1)C(=O)O","O=C(O)c1cccc(O)c1","",1,"M-HYDROXYBENZOIC ACID(1)","99-06-9(1)","837","High Reliability","-"]
[3481,"OC(=O)c1ccc(O)cc1\n\n\n","Oc1ccc(cc1)C(=O)O","O=C(O)c1ccc(O)cc1","",1,"P-HYDROXYBENZOIC ACID(1)","99-96-7(1)","863","High Reliability","-"]
[3482,"[Na+].Oc1c(cccc1)C([O-])=O\n[Na+].Oc1ccccc1C([O-])=O\nOC(=O)c1c(O)cccc1\nOC(=O)c1ccccc1O","OC(=O)c1ccccc1O","O=C(O)c1ccccc1(O)","",2,"SODIUM SALICYLATE(1), SALICYLIC ACID(1)","54-21-7(1), 69-72-7(1)","76, 269","High Reliability","-"]
[3483,"OC(=O)C=Cc1ccco1\n\n\n","OC(=O)C=Cc1ccco1","O=C(O)C=Cc1occc1","",1,"2-PROPENOIC ACID, 3-(2-FURANYL)-(1)","539-47-9(1)","2059","High Reliability","Stereochemistry removed"]
[3484,"OC(=O)c1ccc(O)cc1O\n\n\n","Oc1ccc(c(c1)O)C(=O)O","O=C(O)c1ccc(O)cc1(O)","",1,"2,4-DIHYDROXYBENZOIC ACID(1)","89-86-1(1)","643","High Reliability","-"]
[3485,"OC(=O)c1c(O)ccc(O)c1\nOC(=O)c1cc(O)ccc1O\n\n","Oc1ccc(c(c1)C(=O)O)O","O=C(O)c1cc(O)ccc1(O)","",1,"2,5-DIHYDROXYBENZOIC ACID(1)","490-79-9(1)","1876","High Reliability","-"]
[3486,"OC(=O)c1c(O)cccc1O\n\n\n","OC(=O)c1c(O)cccc1O","O=C(O)c1c(O)cccc1(O)","",1,"2,6-DIHYDROXYBENZOIC ACID(1)","303-07-1(1)","1712","High Reliability","-"]
[3487,"OC(=O)c1cc(O)c(O)cc1\n\n\n","OC(=O)c1ccc(c(c1)O)O","O=C(O)c1ccc(O)c(O)c1","",1,"3,4-DIHYDROXYBENZOIC ACID(1)","99-50-3(1)","848","High Reliability","-"]
[3488,"OC(=O)c1cc(O)c(O)c(O)c1\n\n\n","OC(=O)c1cc(O)c(c(c1)O)O","O=C(O)c1cc(O)c(O)c(O)c1","",1,"3,4,5-TRIHYDROXYBENZOIC ACID(1)","149-91-7(1)","1622","High Reliability","-"]
[3489,"OC(=O)c1c(O)c(O)c(O)cc1\nOC(=O)c1ccc(O)c(O)c1O\n\n","OC(=O)c1ccc(c(c1O)O)O","O=C(O)c1ccc(O)c(O)c1(O)","",1,"2,3,4-TRIHYDROXYBENZOIC ACID(1)","610-02-6(1)","2405","High Reliability","-"]
[3490,"OC(=O)c1c(cccc1)S(O)(=O)=O\nOC(=O)c1ccccc1S(O)(=O)=O\n[NH4+].[O-]C(=O)c1ccccc1S([O-])(=O)=O\n","OC(=O)c1ccccc1S(=O)(=O)O","O=C(O)c1ccccc1S(=O)(=O)O","",1,"BENZOIC ACID, 2-SULFO-(1)","632-25-7(1)","2581","High Reliability","Differences in counterions"]
[3491,"Cc1ccc(Br)cc1\n\n\n","Cc1ccc(cc1)Br","c1cc(ccc1C)Br","",1,"P-BROMOTOLUENE(1)","106-38-7(1)","994","High Reliability","-"]
[3492,"Cc1cccc(Br)c1\n\n\n","Cc1cccc(c1)Br","c1cc(cc(c1)Br)C","",1,"M-BROMOTOLUENE(1)","591-17-3(1)","2298","High Reliability","-"]
[3493,"NC(=O)Nc1ccc(Br)cc1\n\n\n","NC(=O)Nc1ccc(cc1)Br","O=C(N)Nc1ccc(cc1)Br","",1,"P-BROMOPHENYLUREA(1)","1967-25-5(1)","3053","Medium Reliability","-"]
[3494,"Cc1c(Br)ccc(O)c1\n\n\n","Oc1ccc(c(c1)C)Br","Oc1ccc(c(c1)C)Br","",1,"Phenol, 4-bromo-3-methyl-(1)","14472-14-1(1)","4035","High Reliability","-"]
[3495,"OCc1ccc(Br)cc1\n\n\n","OCc1ccc(cc1)Br","OCc1ccc(cc1)Br","",1,"Benzenemethanol, 4-bromo-(1)","873-75-6(1)","2726","High Reliability","-"]
[3496,"OCc1ccccc1Br\n\n\n","OCc1ccccc1Br","OCc1ccccc1Br","",1,"Benzenemethanol, 2-bromo-(1)","18982-54-2(1)","4214","High Reliability","-"]
[3497,"OCc1c(O)ccc(Br)c1\nOCc1cc(Br)ccc1O\n\n","OCc1cc(Br)ccc1O","Oc1ccc(cc1CO)Br","",1,"BENZENEMETHANOL, 5-BROMO-2-HYDROXY-(1)","2316-64-5(1)","3171","High Reliability","-"]
[3498,"Cc1ccc(Cl)cc1\n\n\n","Cc1ccc(cc1)Cl","c1cc(ccc1C)Cl","",1,"P-CHLOROTOLUENE(1)","106-43-4(1)","998","High Reliability","-"]
[3499,"Cc1cc(Cl)ccc1\n\n\n","Cc1cccc(c1)Cl","c1cc(cc(c1)Cl)C","",1,"M-CHLOROTOLUENE(1)","108-41-8(1)","1083","High Reliability","-"]
[3500,"Cc1c(Cl)cccc1\nCc1ccccc1Cl\n\n","Cc1ccccc1Cl","c1ccc(c(c1)C)Cl","",1,"2-CHLOROTOLUENE(1)","95-49-8(1)","745","High Reliability","-"]
[3501,"ClCc1ccccc1\n\n\n","ClCc1ccccc1","c1ccc(cc1)CCl","",1,"ALPHA-CHLOROTOLUENE(1)","100-44-7(1)","879","High Reliability","-"]
[3502,"Cc1nc(C)c(Cl)c(O)c1Cl\nCc1c(Cl)c(=O)c(c(C)[nH]1)Cl\n\n","Cc1nc(C)c(c(c1Cl)O)Cl","Oc1c(c(nc(c1Cl)C)C)Cl","",1,"3,5-DICHLORO-2,6-DIMETHYL-4-PYRIDINOL(1)","2971-90-6(1)","3303","High Reliability","-"]
[3503,"Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl\n\n\n","ClN(S(=O)(=O)c1ccc(cc1)C)Cl","O=S(=O)(c1ccc(cc1)C)N(Cl)Cl","",1,"Benzenesulfonamide, N,N-dichloro-4-methyl-(1)","473-34-7(1)","1831","High Reliability","-"]
[3504,"COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl\n\n\n","COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC","n1c(OP(OC)(OC)=S)c(cc(c1Cl)Cl)Cl","",1,"CHLORPYRIFOS METHYL(1)","5598-13-0(1)","3635","High Reliability","-"]
[3505,"Cn1c2c([nH]c(Cl)n2)c(=O)n(C)c1=O\n\n\n","Clc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C","O=C2c1[nH]c(nc1N(C(=O)N2C)C)Cl","",1,"8-CHLOROTHEOPHYLLINE(1)","85-18-7(1)","553","High Reliability","-"]
[3506,"Cc1c(O)c(Cl)ccc1\n\n\n","Oc1c(C)cccc1Cl","Oc1c(cccc1Cl)C","",1,"2-METHYL-6-CHLOROPHENOL(1)","87-64-9(1)","593","High Reliability","-"]
[3507,"Cc1c(O)ccc(Cl)c1\n\n\n","Clc1ccc(c(c1)C)O","Oc1ccc(cc1C)Cl","",1,"2-METHYL-4-CHLOROPHENOL(1)","1570-64-5(1)","2928","High Reliability","-"]
[3508,"Cc1c(Cl)ccc(O)c1\n\n\n","Oc1ccc(c(c1)C)Cl","Oc1ccc(c(c1)C)Cl","",1,"3-METHYL-4-CHLOROPHENOL(1)","59-50-7(1)","170","High Reliability","-"]
[3509,"COc1cc(Cl)ccc1\n\n\n","COc1cccc(c1)Cl","O(c1cccc(c1)Cl)C","",1,"M-CHLOROANISOLE(1)","2845-89-8(1)","3295","High Reliability","-"]
[3510,"COc1ccc(Cl)cc1\n\n\n","COc1ccc(cc1)Cl","O(c1ccc(cc1)Cl)C","",1,"4-CHLOROANISOLE(1)","623-12-1(1)","2493","High Reliability","-"]
[3511,"COc1c(Cl)cccc1\n\n\n","COc1ccccc1Cl","O(c1ccccc1Cl)C","",1,"O-CHLOROANISOLE(1)","766-51-8(1)","2682","High Reliability","-"]
[3512,"OCc1ccc(Cl)cc1\n\n\n","OCc1ccc(cc1)Cl","OCc1ccc(cc1)Cl","",1,"P-CHLOROBENZYL ALCOHOL(1)","873-76-7(1)","2727","High Reliability","-"]
[3513,"COc1c(O)ccc(Cl)c1\nCOc1ccc(Cl)cc1O\nCOc1cc(Cl)ccc1O\n","COc1cc(Cl)ccc1O","Oc1ccc(cc1(OC))Cl","",1,"4-chloroguaiacol(1)","16766-30-6(1)","4116","Medium Reliability","Name verified in PubChem"]
[3514,"Cc1cc(I)c(O)cc1\n\n\n","Cc1ccc(c(c1)I)O","Oc1ccc(cc1I)C","",1,"Phenol, 2-iodo-4-methyl-(1)","16188-57-1(1)","4096","Medium Reliability","-"]
[3515,"Cc1c(O)c(I)ccc1\n\n\n","Oc1c(C)cccc1I","Oc1c(cccc1I)C","",1,"Phenol, 2-iodo-6-methyl-(1)","24885-45-8(1)","4369","Medium Reliability","-"]
[3516,"OCc1ccc(I)cc1\n\n\n","OCc1ccc(cc1)I","OCc1ccc(cc1)I","",1,"Benzenemethanol, 4-iodo-(1)","18282-51-4(1)","4190","High Reliability","-"]
[3517,"C=Cc1ccncc1\n\n\n","C=Cc1ccncc1","n1ccc(C=C)cc1","",1,"4-VINYLPYRIDINE(1)","100-43-6(1)","878","High Reliability","-"]
[3518,"C=Cc1ccccn1\n\n\n","C=Cc1ccccn1","n1ccccc1C=C","",1,"2-VINYLPYRIDINE(1)","100-69-6(1)","894","High Reliability","-"]
[3519,"Nc1ccc(cc1)S(=O)(=O)NC#N\n\n\n","N#CNS(=O)(=O)c1ccc(cc1)N","N#CNS(=O)(=O)c1ccc(N)cc1","",1,"Benzenesulfonamide, 4-amino-N-cyano-(1)","116-47-2(1)","1302","High Reliability","-"]
[3520,"CC(=O)NN=Cc1ccc(o1)[N+]([O-])=O\n\n\n","CC(=O)NN=Cc1ccc(o1)[N+](=O)[O-]","O=C(NN=Cc1oc(cc1)[N+](=O)[O-])C","",1,"Nihydrazone(1)","67-28-7(1)","249","High Reliability","Stereochemistry removed"]
[3521,"CNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O\n\n\n","CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1ccc(NC)c(c1)[N+](=O)[O-]","",1,"BENZENAMINE, N-METHYL-2,4-DINITRO-(1)","2044-88-4(1)","3074","High Reliability","Checked on PubChem, Checked on ChemID"]
[3522,"CN=c1[nH]cc2nccnc2n1\nCNc1ncc2nccnc2n1\n\n","CN=c1[nH]cc2c(n1)nccn2","N1=CC=NC2=CNC(N=C12)=NC","",1,"Pteridine, 2-(methylamino)-(1)","19167-57-8(1)","4218","Medium Reliability","-"]
[3523,"Cn1c(=O)n(C)c2nncnc2c1=O\n\n\n","Cn1c2nncnc2c(=O)n(c1=O)C","O=C2c1ncnnc1N(C(=O)N2C)C","",1,"Fervenulin(1)","483-57-8(1)","1856","High Reliability","Checked on PubChem, Checked on ChemID"]
[3524,"NC(=O)c1ccccc1\n\n\n","NC(=O)c1ccccc1","O=C(N)c1ccccc1","",1,"BENZAMIDE(1)","55-21-0(1)","81","High Reliability","-"]
[3525,"O=CNc1ccccc1\n\n\n","O=CNc1ccccc1","O=CNc1ccccc1","",1,"FORMANILIDE(1)","103-70-8(1)","937","High Reliability","-"]
[3526,"Cc1ccc(cc1)[N+]([O-])=O\n\n\n","Cc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1)C","",1,"P-NITROTOLUENE(1)","99-99-0(1)","865","High Reliability","-"]
[3527,"Cc1cc(ccc1)[N+]([O-])=O\nCc1cccc(c1)[N+]([O-])=O\n\n","Cc1cccc(c1)[N+](=O)[O-]","O=[N+]([O-])c1cccc(c1)C","",1,"3-NITROTOLUENE(1)","99-08-1(1)","838","High Reliability","-"]
[3528,"Cc1ccccc1[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccccc1C","O=[N+]([O-])c1ccccc1C","",1,"2-NITROTOLUENE(1)","88-72-2(1)","618","High Reliability","-"]
[3529,"Nc1cccc(c1)C(O)=O\n\n\n","Nc1cccc(c1)C(=O)O","O=C(O)c1cccc(N)c1","",1,"3-AMINOBENZOIC ACID(1)","99-05-8(1)","836","High Reliability","-"]
[3530,"Nc1ccc(cc1)C(O)=O\n\n\n","OC(=O)c1ccc(cc1)N","O=C(O)c1ccc(N)cc1","",1,"4-AMINOBENZOIC ACID(1)","150-13-0(1)","1623","High Reliability","-"]
[3531,"Nc1c(cccc1)C(O)=O\nNc1ccccc1C(O)=O\n\n","OC(=O)c1ccccc1N","O=C(O)c1ccccc1(N)","",1,"2-AMINOBENZOIC ACID(1)","118-92-3(1)","1329","High Reliability","-"]
[3532,"NC(=O)c1ccccc1O\n\n\n","NC(=O)c1ccccc1O","O=C(N)c1ccccc1(O)","",1,"O-HYDROXYBENZAMIDE(1)","65-45-2(1)","235","High Reliability","-"]
[3533,"O=S1(=O)NCc2ccccc12\n\n\n","O=S1(=O)NCc2c1cccc2","O=S2(=O)(NCc1ccccc12)","",1,"2,3-DIHYDRO-1,2-BENZISOTHIAZOLE-1,1-DIOXIDE(1)","936-16-3(1)","2758","Medium Reliability","-"]
[3534,"COc1cccc(c1)[N+]([O-])=O\n\n\n","COc1cccc(c1)[N+](=O)[O-]","O=[N+]([O-])c1cccc(OC)c1","",1,"M-NITROANISOLE(1)","555-03-3(1)","2145","High Reliability","-"]
[3535,"COc1ccc(cc1)[N+]([O-])=O\n\n\n","COc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(OC)cc1","",1,"P-NITROANISOLE(1)","100-17-4(1)","870","High Reliability","-"]
[3536,"COc1c(cccc1)[N+]([O-])=O\nCOc1ccccc1[N+]([O-])=O\n\n","COc1ccccc1[N+](=O)[O-]","O=[N+]([O-])c1ccccc1(OC)","",1,"2-NITROANISOLE(1)","91-23-6(1)","669","High Reliability","-"]
[3537,"Cc1ccc(cc1O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)O)C","O=[N+]([O-])c1ccc(c(O)c1)C","",1,"PHENOL, 2-METHYL-5-NITRO-(1)","5428-54-6(1)","3609","High Reliability","-"]
[3538,"Cc1cc(O)c(cc1)[N+]([O-])=O\nCc1ccc(c(O)c1)[N+]([O-])=O\n\n","Cc1ccc(c(c1)O)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1(O))C","",1,"5-METHYL-2-NITROPHENOL(1)","700-38-9(1)","2647","High Reliability","-"]
[3539,"Cc1cc(c(O)cc1)[N+]([O-])=O\nCc1ccc(O)c(c1)[N+]([O-])=O\n\n","Cc1ccc(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(ccc1(O))C","",1,"4-METHYL-2-NITROPHENOL(1)","119-33-5(1)","1335","High Reliability","-"]
[3540,"Cc1c(c(O)ccc1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1c(C)cccc1O","O=[N+]([O-])c1c(O)cccc1C","",1,"3-METHYL-2-NITROPHENOL(1)","4920-77-8(1)","3553","High Reliability","-"]
[3541,"Cc1c(ccc(O)c1)[N+]([O-])=O\nCc1cc(O)ccc1[N+]([O-])=O\n\n","Oc1ccc(c(c1)C)[N+](=O)[O-]","O=[N+]([O-])c1ccc(O)cc1C","",1,"3-METHYL-4-NITROPHENOL(1)","2581-34-2(1)","3241","High Reliability","-"]
[3542,"Nc1ccc(C(O)=O)c(O)c1\n\n\n","Nc1ccc(c(c1)O)C(=O)O","O=C(O)c1ccc(N)cc1(O)","",1,"P-AMINOSALICYLIC ACID(1)","65-49-6(1)","236","High Reliability","-"]
[3543,"OCc1ccc(cc1)[N+]([O-])=O\n\n\n","OCc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1)CO","",1,"P-NITROBENZYL ALCOHOL(1)","619-73-8(1)","2474","High Reliability","-"]
[3544,"OCc1cc(ccc1)[N+]([O-])=O\n\n\n","OCc1cccc(c1)[N+](=O)[O-]","O=[N+]([O-])c1cccc(c1)CO","",1,"M-NITROBENZYL ALCOHOL(1)","619-25-0(1)","2470","High Reliability","-"]
[3545,"OCc1ccccc1[N+]([O-])=O\n\n\n","OCc1ccccc1[N+](=O)[O-]","O=[N+]([O-])c1ccccc1CO","",1,"2-NITROBENZYL ALCOHOL(1)","612-25-9(1)","2421","High Reliability","-"]
[3546,"COc1cc(c(O)cc1)[N+]([O-])=O\n\n\n","COc1ccc(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(OC)ccc1(O)","",1,"4-METHOXY-2-NITROPHENOL(1)","1568-70-3(1)","2925","High Reliability","-"]
[3547,"OC(=O)CNC(=O)c1ccco1\n\n\n","OC(=O)CNC(=O)c1ccco1","O=C(O)CNC(=O)c1occc1","",1,"Glycine, N-(2-furanylcarbonyl)-(1)","5657-19-2(1)","3649","High Reliability","-"]
[3548,"Cc1ccc(cc1S(O)(=O)=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C","O=[N+]([O-])c1ccc(c(c1)S(=O)(=O)O)C","",1,"BENZENESULFONIC ACID, 2-METHYL-5-NITRO-(1)","121-03-9(1)","1367","High Reliability","-"]
[3549,"Nc1c(ccc(c1)S(O)(=O)=O)C(O)=O\nNc1cc(ccc1C(O)=O)S(O)(=O)=O\n\n","OC(=O)c1ccc(cc1N)S(=O)(=O)O","O=C(O)c1ccc(cc1(N))S(=O)(=O)O","",1,"Benzoic acid, 2-amino-4-sulfo-(1)","98-43-1(1)","817","High Reliability","-"]
[3550,"C1C=CC=CC=C1\n\n\n","C1=CC=CC=CC1","C1=CC=CCC=C1","",1,"CYCLOHEPTATRIENE(1)","544-25-2(1)","2109","High Reliability","-"]
[3551,"Cc1ccccc1\n\n\n","Cc1ccccc1","c1ccc(cc1)C","",1,"TOLUENE(1)","108-88-3(1)","1108","Medium Reliability","-"]
[3552,"NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl\n\n\n","Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N","O=S(=O)(N)c1cc2c(cc1Cl)NCNS2(=O)(=O)","",1,"HYDROCHLOROTHIAZIDE(1)","58-93-5(1)","161","High Reliability","-"]
[3553,"[I-].CN1C=CC=CC1=C[NH+]=O\n\n\n","O=[NH+]C=c1ccccn1C","O=[NH+]C=C1C=CC=CN1C","",1,"Pralidoxime iodide [USAN:INN:JAN](1)","94-63-3(1)","728","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3554,"Nc1cc(cc(N)c1)C(O)=O\n[Cl-].[Cl-].[NH3+]c1cc([NH3+])cc(c1)C(O)=O\n\n","OC(=O)c1cc(N)cc(c1)N","O=C(O)c1cc(N)cc(N)c1","",1,"Benzoic acid, 3,5-diamino-(1)","535-87-5(1)","2037","High Reliability","Differences in counterions"]
[3555,"COc1ccc(N)c(c1)[N+]([O-])=O\n\n\n","COc1ccc(c(c1)[N+](=O)[O-])N","O=[N+]([O-])c1cc(OC)ccc1(N)","",1,"BENZENAMINE, 4-METHOXY-2-NITRO-(1)","96-96-8(1)","788","High Reliability","-"]
[3556,"COc1c(N)cc(cc1)[N+]([O-])=O\n\n\n","COc1ccc(cc1N)[N+](=O)[O-]","O=[N+]([O-])c1ccc(OC)c(N)c1","",1,"2-METHOXY-5-NITROANILINE(1)","99-59-2(1)","851","High Reliability","-"]
[3557,"NC(=O)c1ccc(cc1)S(N)(=O)=O\n\n\n","NC(=O)c1ccc(cc1)S(=O)(=O)N","O=C(N)c1ccc(cc1)S(=O)(=O)N","",1,"BENZAMIDE, 4-(AMINOSULFONYL)-(1)","6306-24-7(1)","3736","High Reliability","-"]
[3558,"NC(=O)c1cc(ccc1)S(N)(=O)=O\nNC(=O)c1cccc(c1)S(N)(=O)=O\n\n","NC(=O)c1cccc(c1)S(=O)(=O)N","O=C(N)c1cccc(c1)S(=O)(=O)N","",1,"BENZAMIDE, 3-(AMINOSULFONYL)-(1)","1576-42-7(1)","2931","Medium Reliability","-"]
[3559,"NC(=S)Nc1ccccc1\n\n\n","NC(=S)Nc1ccccc1","NC(Nc1ccccc1)=S","",1,"N-PHENYLTHIOUREA(1)","103-85-5(1)","943","High Reliability","-"]
[3560,"Cn1cnc2c1c(=O)[nH]c(=O)n2C\n\n\n","Cn1cnc2c1c(=O)[nH]c(=O)n2C","O=C1NC(=O)N(c2ncn(c12)C)C","",1,"THEOBROMINE(1)","83-67-0(1)","529","High Reliability","-"]
[3561,"Cn1c2c([nH]cn2)c(=O)n(C)c1=O\n\n\n","Cn1c(=O)n(C)c2c(c1=O)[nH]cn2","O=C2c1[nH]cnc1N(C(=O)N2C)C","",1,"THEOPHYLLINE(1)","58-55-9(1)","153","High Reliability","-"]
[3562,"Cc1ccc(O)cc1\n\n\n","Cc1ccc(cc1)O","Oc1ccc(cc1)C","",1,"P-CRESOL(1)","106-44-5(1)","999","High Reliability","-"]
[3563,"Cc1cc(O)ccc1\n\n\n","Cc1cccc(c1)O","Oc1cccc(c1)C","",1,"M-CRESOL(1)","108-39-4(1)","1082","High Reliability","-"]
[3564,"Cc1c(O)cccc1\nCc1ccccc1O\n\n","Cc1ccccc1O","Oc1ccccc1C","",1,"O-CRESOL(1)","95-48-7(1)","744","High Reliability","-"]
[3565,"COc1ccccc1\n\n\n","COc1ccccc1","O(c1ccccc1)C","",1,"ANISOLE(1)","100-66-3(1)","892","High Reliability","-"]
[3566,"OCc1ccccc1\n\n\n","OCc1ccccc1","OCc1ccccc1","",1,"BENZYL ALCOHOL(1)","100-51-6(1)","883","High Reliability","-"]
[3567,"Cc1c(O)cccc1O\n\n\n","Oc1cccc(c1C)O","Oc1cccc(O)c1C","",1,"1,3-Benzenediol, 2-methyl-(1)","608-25-3(1)","2391","High Reliability","-"]
[3568,"COc1cccc(O)c1\n\n\n","COc1cccc(c1)O","Oc1cccc(OC)c1","",1,"M-METHOXYPHENOL(1)","150-19-6(1)","1624","High Reliability","-"]
[3569,"COc1ccc(O)cc1\n\n\n","COc1ccc(cc1)O","Oc1ccc(OC)cc1","",1,"P-METHOXYPHENOL(1)","150-76-5(1)","1628","High Reliability","-"]
[3570,"COc1c(O)cccc1\n\n\n","COc1ccccc1O","Oc1ccccc1(OC)","",1,"2-METHOXYPHENOL(1)","90-05-1(1)","648","High Reliability","-"]
[3571,"OCc1ccc(O)cc1\n\n\n","OCc1ccc(cc1)O","Oc1ccc(cc1)CO","",1,"P-HYDROXYBENZYL ALCOHOL(1)","623-05-2(1)","2491","High Reliability","-"]
[3572,"OCc1cc(O)ccc1\n\n\n","OCc1cccc(c1)O","Oc1cccc(c1)CO","",1,"M-HYDROXYBENZYL ALCOHOL(1)","620-24-6(1)","2477","Medium Reliability","-"]
[3573,"OCc1ccccc1O\n\n\n","OCc1ccccc1O","Oc1ccccc1CO","",1,"O-HYDROXYBENZYL ALCOHOL(1)","90-01-7(1)","645","High Reliability","-"]
[3574,"CSc1cc(O)cc(O)c1\n\n\n","CSc1cc(O)cc(c1)O","Oc1cc(O)cc(c1)SC","",1,"1,3-Benzenediol, 5-(methylthio)-(1)","54839-91-7(1)","4896","Medium Reliability","-"]
[3575,"COCc1ccc(o1)C=O\n\n\n","COCc1ccc(o1)C=O","O=Cc1oc(cc1)COC","",1,"2-Furancarboxaldehyde, 5-(methoxymethyl)-(1)","1917-64-2(1)","3023","High Reliability","-"]
[3576,"OCc1c(O)ccc(O)c1\nOCc1cc(O)ccc1O\n\n","OCc1cc(O)ccc1O","Oc1ccc(O)c(c1)CO","",1,"Gentisyl Alcohol(1)","495-08-9(1)","1888","High Reliability","-"]
[3577,"COS(=O)(=O)c1ccccc1\n\n\n","COS(=O)(=O)c1ccccc1","O=S(=O)(OC)c1ccccc1","",1,"METHYL BENZENESULFONATE(1)","80-18-2(1)","488","High Reliability","-"]
[3578,"Cc1ccc(cc1)S(O)(=O)=O\n\n\n","Cc1ccc(cc1)S(=O)(=O)O","O=S(=O)(O)c1ccc(cc1)C","",1,"P-TOLUENESULFONIC ACID(1)","104-15-4(1)","948","High Reliability","-"]
[3579,"OC(=O)CC1(CC(O)=O)OCOC1=O\n\n\n","OC(=O)CC1(OCOC1=O)CC(=O)O","O=C(O)CC1(OCOC1(=O))CC(=O)O","",1,"1,3-Dioxolane-4,4-diacetic acid, 5-oxo-(1)","144-16-1(1)","1598","High Reliability","-"]
[3580,"CSc1ccccc1\n\n\n","CSc1ccccc1","c1ccc(cc1)SC","",1,"THIOANISOLE(1)","100-68-5(1)","893","High Reliability","-"]
[3581,"CC(C)C1(Br)C(=O)NC(=O)NC1=O\n\n\n","CC(C1(Br)C(=O)NC(=O)NC1=O)C","O=C1NC(=O)C(C(=O)N1)(C(C)C)Br","",1,"Barbituric acid, 5-bromo-5-isopropyl-(1)","16952-71-9(1)","4126","Medium Reliability","-"]
[3582,"CCc1ccncc1\n\n\n","CCc1ccncc1","n1ccc(cc1)CC","",1,"4-ETHYLPYRIDINE(1)","536-75-4(1)","2042","High Reliability","-"]
[3583,"CCc1cccnc1\n\n\n","CCc1cccnc1","n1cccc(c1)CC","",1,"3-ETHYLPYRIDINE(1)","536-78-7(1)","2043","High Reliability","-"]
[3584,"CCc1ncccc1\n\n\n","CCc1ccccn1","n1ccccc1CC","",1,"2-ETHYLPYRIDINE(1)","100-71-0(1)","895","High Reliability","-"]
[3585,"Cc1ccc(N)cc1\n\n\n","Cc1ccc(cc1)N","Nc1ccc(cc1)C","",1,"P-TOLUIDINE(1)","106-49-0(1)","1003","High Reliability","-"]
[3586,"Cc1cc(N)ccc1\n\n\n","Cc1cccc(c1)N","Nc1cccc(c1)C","",1,"M-TOLUIDINE(1)","108-44-1(1)","1086","High Reliability","-"]
[3587,"Cc1ccc(C)nc1\n\n\n","Cc1ccc(cn1)C","n1cc(ccc1C)C","",1,"2,5-DIMETHYLPYRIDINE(1)","589-93-5(1)","2280","High Reliability","-"]
[3588,"Cc1c(C)cncc1\nCc1ccncc1C\n\n","Cc1cnccc1C","n1ccc(c(c1)C)C","",1,"3,4-DIMETHYLPYRIDINE(1)","583-58-4(1)","2240","High Reliability","-"]
[3589,"Cc1ccnc(C)c1\n\n\n","Cc1ccnc(c1)C","n1ccc(cc1C)C","",1,"2,4-DIMETHYLPYRIDINE(1)","108-47-4(1)","1089","High Reliability","-"]
[3590,"Cc1cc(C)cnc1\n\n\n","Cc1cncc(c1)C","n1cc(cc(c1)C)C","",1,"3,5-DIMETHYLPYRIDINE(1)","591-22-0(1)","2300","High Reliability","-"]
[3591,"Cc1c(N)cccc1\nCc1ccccc1N\n\n","Cc1ccccc1N","Nc1ccccc1C","",1,"O-TOLUIDINE(1)","95-53-4(1)","748","High Reliability","-"]
[3592,"Cc1cccc(C)n1\n\n\n","Cc1cccc(n1)C","n1c(cccc1C)C","",1,"2,6-LUTIDINE(1)","108-48-5(1)","1090","High Reliability","-"]
[3593,"Cc1c(C)nccc1\nCc1cccnc1C\n\n","Cc1ncccc1C","n1cccc(c1C)C","",1,"2,3-DIMETHYLPYRIDINE(1)","583-61-9(1)","2241","High Reliability","-"]
[3594,"CNc1ccccc1\n\n\n","CNc1ccccc1","c1ccc(cc1)NC","",1,"N-METHYLANILINE(1)","100-61-8(1)","888","High Reliability","-"]
[3595,"NCc1ccccc1\n\n\n","NCc1ccccc1","NCc1ccccc1","",1,"BENZYLAMINE(1)","100-46-9(1)","880","High Reliability","-"]
[3596,"CN(O)N=Nc1ccccc1\n\n\n","CN(N=Nc1ccccc1)O","ON(N=Nc1ccccc1)C","",1,"1-Triazene, 3-hydroxy-3-methyl-1-phenyl-(1)","5756-69-4(1)","3659","High Reliability","Checked on PubChem, Checked on ChemID"]
[3597,"Cc1cc(C)nc(n1)C(N)=O\n\n\n","NC(=O)c1nc(C)cc(n1)C","O=C(N)c1nc(cc(n1)C)C","",1,"2-Pyrimidinecarboxamide, 4,6-dimethyl-(1)","73937-25-4(1)","5187","Medium Reliability","-"]
[3598,"NNC(=O)Nc1ccccc1\n\n\n","NNC(=O)Nc1ccccc1","O=C(NN)Nc1ccccc1","",1,"HYDRAZINECARBOXAMIDE, N-PHENYL-(1)","537-47-3(1)","2047","High Reliability","-"]
[3599,"NC(=S)NS(=O)(=O)c1ccc(N)cc1\nNCc1ccc(cc1)S(N)(=O)=O.NC(=S)NS(=O)(=O)c1ccc(N)cc1\n\n","NC(=S)NS(=O)(=O)c1ccc(cc1)N","O=S(=O)(NC(N)=S)c1ccc(N)cc1","",2,"Sulfathiourea(1), SULFATOLAMIDE(1)","515-49-1(1), 1161-88-2(1)","1969, 2855","High Reliability","Organic counterion"]
[3600,"NC(=O)NS(=O)(=O)c1ccc(N)cc1\n\n\n","NC(=O)NS(=O)(=O)c1ccc(cc1)N","O=C(N)NS(=O)(=O)c1ccc(N)cc1","",1,"Sulfanilylurea(1)","547-44-4(1)","2112","Medium Reliability","-"]
[3601,"CN(C)c1nc2cncnc2[nH]1\nCN(C)c1nc-2c[nH]cnc2n1\n\n","CN(c1nc2c([nH]1)ncnc2)C","n1cnc2[nH]c(nc2(c1))N(C)C","",1,"1H-Purin-8-amine, N,N-dimethyl-(1)","23687-23-2(1)","4348","High Reliability","-"]
[3602,"Cc1ccc(NO)cc1\n\n\n","ONc1ccc(cc1)C","ONc1ccc(cc1)C","",1,"Benzenamine, N-hydroxy-4-methyl-(1)","623-10-9(1)","2492","High Reliability","-"]
[3603,"Cc1c[n+]([O-])cc(C)c1\n\n\n","[O-][n+]1cc(C)cc(c1)C","[O-][n+]1cc(cc(c1)C)C","",1,"3,5-DIMETHYLPYRIDINE-N-OXIDE(1)","3718-65-8(1)","3419","High Reliability","-"]
[3604,"CC1(CCCC1=O)C#N\n\n\n","N#CC1(C)CCCC1=O","N#CC1(C(=O)CCC1)(C)","",1,"Cyclopentanecarbonitrile, 1-methyl-2-oxo-(1)","66984-18-7(1)","5072","Medium Reliability","-"]
[3605,"Oc1ccc(O)cc1.CNc1ccc(O)cc1.CNc1ccc(O)cc1\n\n\n","CNc1ccc(cc1)O","Oc1ccc(cc1)NC","",1,"Metoquinone(1)","622-91-3(1)","2488","High Reliability","Organic counterion"]
[3606,"COc1ccc(N)cc1\n\n\n","COc1ccc(cc1)N","O(c1ccc(N)cc1)C","",1,"4-METHOXYANILINE(1)","104-94-9(1)","962","High Reliability","-"]
[3607,"COc1ccccc1N\n\n\n","COc1ccccc1N","O(c1ccccc1(N))C","",1,"2-METHOXYANILINE(1)","90-04-0(1)","647","High Reliability","-"]
[3608,"Cc1ccc(cc1)S(N)(=O)=O\n\n\n","Cc1ccc(cc1)S(=O)(=O)N","O=S(=O)(N)c1ccc(cc1)C","",1,"4-METHYLBENZENESULFONAMIDE(1)","70-55-3(1)","278","High Reliability","-"]
[3609,"Cc1cc(ccc1)S(N)(=O)=O\n\n\n","Cc1cccc(c1)S(=O)(=O)N","O=S(=O)(N)c1cccc(c1)C","",1,"M-METHYLBENZENESULFONAMIDE(1)","1899-94-1(1)","3016","Medium Reliability","-"]
[3610,"Cc1c(cccc1)S(N)(=O)=O\n\n\n","Cc1ccccc1S(=O)(=O)N","O=S(=O)(N)c1ccccc1C","",1,"O-METHYLBENZENESULFONAMIDE(1)","88-19-7(1)","613","High Reliability","-"]
[3611,"NC(Cc1sccc1)C(O)=O\n\n\n","OC(=O)C(Cc1cccs1)N","O=C(O)C(N)Cc1cccs1","",1,"2-Thiophenepropanoic acid, .alpha.-amino-(1)","139-86-6(1)","1548","High Reliability","Checked on PubChem, Checked on ChemID"]
[3612,"Cc1ccc(cc1N)S(O)(=O)=O\n\n\n","Cc1ccc(cc1N)S(=O)(=O)O","O=S(=O)(O)c1ccc(c(N)c1)C","",1,"Benzenesulfonic acid, 3-amino-4-methyl-(1)","618-03-1(1)","2461","High Reliability","-"]
[3613,"Cc1ccc(N)c(c1)S(O)(=O)=O\n\n\n","Cc1ccc(c(c1)S(=O)(=O)O)N","O=S(=O)(O)c1cc(ccc1(N))C","",1,"2-Amino-5-methylbenzenesulfonic acid(1)","88-44-8(1)","615","High Reliability","-"]
[3614,"CNc1ccc(cc1)S(O)(=O)=O\n\n\n","CNc1ccc(cc1)S(=O)(=O)O","O=S(=O)(O)c1ccc(cc1)NC","",1,"Benzenesulfonic acid, 4-(methylamino)-(1)","24447-99-2(1)","4360","High Reliability","-"]
[3615,"COc1ccc(cc1N)S(O)(=O)=O\n\n\n","COc1ccc(cc1N)S(=O)(=O)O","O=S(=O)(O)c1ccc(OC)c(N)c1","",1,"Benzenesulfonic acid, 3-amino-4-methoxy-(1)","98-42-0(1)","816","High Reliability","-"]
[3616,"Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl\n\n\n","N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl","N#Cc1c(c(C#N)c(c(c1Cl)Cl)Cl)Cl","",1,"CHLOROTHALONIL(1)","1897-45-6(1)","3014","High Reliability","-"]
[3617,"CCc1ccccc1\n\n\n","CCc1ccccc1","c1ccc(cc1)CC","",1,"ETHYLBENZENE(1)","100-41-4(1)","876","High Reliability","-"]
[3618,"Cc1ccc(C)cc1\n\n\n","Cc1ccc(cc1)C","c1cc(ccc1C)C","",1,"P-XYLENE(1)","106-42-3(1)","997","High Reliability","-"]
[3619,"Cc1cc(C)ccc1\n\n\n","Cc1cccc(c1)C","c1cc(cc(c1)C)C","",1,"M-XYLENE(1)","108-38-3(1)","1081","High Reliability","-"]
[3620,"Cc1c(C)cccc1\nCc1ccccc1C\n\n","Cc1ccccc1C","c1ccc(c(c1)C)C","",1,"O-XYLENE(1)","95-47-6(1)","743","High Reliability","-"]
[3621,"CN(Cc1ccccc1)N=O\n\n\n","O=NN(Cc1ccccc1)C","O=NN(C)Cc1ccccc1","",1,"N-BENZYL-N-METHYLNITROSOAMINE(1)","937-40-6(1)","2760","Medium Reliability","-"]
[3622,"CC(=O)Nc1ccc(N)cc1\n\n\n","CC(=O)Nc1ccc(cc1)N","O=C(Nc1ccc(N)cc1)C","",1,"P-AMINOACETANILIDE(1)","122-80-5(1)","1396","High Reliability","-"]
[3623,"Cc1ccccc1NC(N)=O\n\n\n","NC(=O)Nc1ccccc1C","O=C(N)Nc1ccccc1C","",1,"Urea, (2-methylphenyl)-(1)","614-77-7(1)","2429","Medium Reliability","-"]
[3624,"NC(=O)NCc1ccccc1\n\n\n","NC(=O)NCc1ccccc1","O=C(N)NCc1ccccc1","",1,"BENZYLUREA(1)","538-32-9(1)","2051","High Reliability","-"]
[3625,"COc1ccc(NC(N)=O)cc1\n\n\n","COc1ccc(cc1)NC(=O)N","O=C(N)Nc1ccc(OC)cc1","",1,"Urea, (4-methoxyphenyl)-(1)","1566-42-3(1)","2924","High Reliability","-"]
[3626,"CCOc1ccc(cc1N)[N+]([O-])=O\n\n\n","CCOc1ccc(cc1N)[N+](=O)[O-]","O=[N+]([O-])c1ccc(OCC)c(N)c1","",1,"Benzenamine, 2-ethoxy-5-nitro-(1)","136-79-8(1)","1530","High Reliability","Checked on PubChem, Checked on ChemID"]
[3627,"OC(=O)C1CCC(=O)N1CCC#N\n\n\n","N#CCCN1C(=O)CCC1C(=O)O","N#CCCN1C(=O)CCC1(C(=O)O)","",1,"L-Proline, 1-(2-cyanoethyl)-5-oxo-(1)","41563-94-4(1)","4752","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3628,"NCCc1cc(c(O)cc1)[N+]([O-])=O\n\n\n","NCCc1ccc(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(ccc1(O))CCN","",1,"Phenol, 4-(2-aminoethyl)-2-nitro-(1)","49607-15-0(1)","4775","Medium Reliability","-"]
[3629,"CC(=O)NS(=O)(=O)c1ccc(N)cc1\n\n\n","CC(=O)NS(=O)(=O)c1ccc(cc1)N","O=C(NS(=O)(=O)c1ccc(N)cc1)C","",1,"SULFANILACETAMIDE(1)","144-80-9(1)","1603","High Reliability","-"]
[3630,"CC(=O)Nc1ccc(cc1)S(N)(=O)=O\n\n\n","CC(=O)Nc1ccc(cc1)S(=O)(=O)N","O=C(Nc1ccc(cc1)S(=O)(=O)N)C","",1,"ACETAMIDE, N-[4-(AMINOSULFONYL)PHENYL](1)","121-61-9(1)","1376","Medium Reliability","-"]
[3631,"CCCc1nc(C(O)=O)c([nH]1)C(O)=O\n\n\n","CCCc1nc(c([nH]1)C(=O)O)C(=O)O","O=C(O)c1nc([nH]c1(C(=O)O))CCC","",1,"1H-Imidazole-4,5-dicarboxylic acid, 2-propyl-(1)","58954-23-7(1)","4967","Medium Reliability","-"]
[3632,"COC(=O)NS(=O)(=O)c1ccc(N)cc1\n\n\n","COC(=O)NS(=O)(=O)c1ccc(cc1)N","O=C(OC)NS(=O)(=O)c1ccc(N)cc1","",1,"ASULAM(1)","3337-71-1(1)","3370","High Reliability","-"]
[3633,"Cn1cnc2c1c(=O)n(C)c(=O)n2C\n\n\n","Cn1cnc2c1c(=O)n(C)c(=O)n2C","O=C2c1c(ncn1C)N(C(=O)N2C)C","",1,"CAFFEINE(1)","58-08-2(1)","144","High Reliability","-"]
[3634,"Cn1c(=O)[nH]c2c1c(=O)n(C)c(=O)n2C\n\n\n","Cn1c(=O)[nH]c2c1c(=O)n(c(=O)n2C)C","O=C2NC1=C(C(=O)N(C(=O)N1C)C)N2C","",1,"1,3,7-TRIMETHYL URIC ACID(1)","5415-44-1(1)","3603","Medium Reliability","-"]
[3635,"NC(=O)N(CCO)N=Cc1oc(cc1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(o1)C=NN(C(=O)N)CCO","O=C(N)N(N=Cc1oc(cc1)[N+](=O)[O-])CCO","",1,"Nidroxyzone(1)","405-22-1(1)","1773","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3636,"COP(=S)(OC)Oc1ccc(cc1)[N+]([O-])=O\n\n\n","COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC","O=[N+]([O-])c1ccc(OP(OC)(OC)=S)cc1","",1,"PARATHION METHYL(1)","298-00-0(1)","1687","Medium Reliability","-"]
[3637,"CCc1ccc(O)cc1\n\n\n","CCc1ccc(cc1)O","Oc1ccc(cc1)CC","",1,"P-ETHYLPHENOL(1)","123-07-9(1)","1403","High Reliability","-"]
[3638,"CCc1c(O)cccc1\nCCOc1ccccc1\n\n","CCc1ccccc1O","Oc1ccccc1CC","",1,"o-ethylphenol(1)","90-00-6(1)","644","High Reliability","Name verified in PubChem"]
[3639,"CCOc1ccccc1\n\n\n","CCOc1ccccc1","O(c1ccccc1)CC","",1,"ETHOXYBENZENE(1)","103-73-1(1)","939","High Reliability","-"]
[3640,"Cc1cc(O)c(C)cc1\n\n\n","Cc1ccc(c(c1)O)C","Oc1cc(ccc1C)C","",1,"2,5-DIMETHYLPHENOL(1)","95-87-4(1)","759","High Reliability","-"]
[3641,"Cc1c(C)cc(O)cc1\n\n\n","Oc1ccc(c(c1)C)C","Oc1ccc(c(c1)C)C","",1,"3,4-DIMETHYLPHENOL(1)","95-65-8(1)","754","High Reliability","-"]
[3642,"Cc1cc(C)c(O)cc1\n\n\n","Cc1ccc(c(c1)C)O","Oc1ccc(cc1C)C","",1,"2,4-DIMETHYLPHENOL(1)","105-67-9(1)","982","High Reliability","-"]
[3643,"Cc1cc(O)cc(C)c1\n\n\n","Cc1cc(C)cc(c1)O","Oc1cc(cc(c1)C)C","",1,"3,5-DIMETHYLPHENOL(1)","108-68-9(1)","1096","High Reliability","-"]
[3644,"Cc1cccc(C)c1O\n\n\n","Cc1cccc(c1O)C","Oc1c(cccc1C)C","",1,"2,6-DIMETHYLPHENOL(1)","576-26-1(1)","2212","High Reliability","-"]
[3645,"Cc1c(C)c(O)ccc1\n\n\n","Cc1c(C)cccc1O","Oc1cccc(c1C)C","",1,"2,3-DIMETHYLPHENOL(1)","526-75-0(1)","1992","High Reliability","-"]
[3646,"CC(O)c1ccccc1\n\n\n","CC(c1ccccc1)O","OC(c1ccccc1)C","",2,"ALPHA-METHYLBENZYL ALCOHOL(1), 1-PHENYLETHANOL(1)","98-85-1(1), 1517-69-7(1)","827, 2919","High Reliability","Stereochemistry removed"]
[3647,"Cc1ccc(CO)cc1\n\n\n","OCc1ccc(cc1)C","OCc1ccc(cc1)C","",1,"P-METHYL BENZYL ALCOHOL(1)","589-18-4(1)","2269","High Reliability","-"]
[3648,"Cc1cccc(CO)c1\n\n\n","OCc1cccc(c1)C","OCc1cccc(c1)C","",1,"M-METHYLBENZYL ALCOHOL(1)","587-03-1(1)","2263","High Reliability","-"]
[3649,"COCc1ccccc1\n\n\n","COCc1ccccc1","O(C)Cc1ccccc1","",1,"BENZYL METHYL ETHER(1)","538-86-3(1)","2054","High Reliability","-"]
[3650,"OCCc1ccccc1\n\n\n","OCCc1ccccc1","OCCc1ccccc1","",1,"2-PHENYLETHANOL(1)","60-12-8(1)","182","High Reliability","-"]
[3651,"COc1ccc(CO)cc1\n\n\n","OCc1ccc(cc1)OC","OCc1ccc(OC)cc1","",1,"P-METHOXYBENZYL ALCOHOL(1)","105-13-5(1)","965","High Reliability","-"]
[3652,"Cc1cc(CO)c(O)cc1\nCc1ccc(O)c(CO)c1\n\n","OCc1cc(C)ccc1O","Oc1ccc(cc1CO)C","",1,"BENZENEMETHANOL, 2-HYDROXY-5-METHYL-(1)","4383-07-7(1)","3486","High Reliability","-"]
[3653,"OCc1ccc(CO)cc1\n\n\n","OCc1ccc(cc1)CO","OCc1ccc(cc1)CO","",1,"1,4-Benzenedimethanol(1)","589-29-7(1)","2270","High Reliability","-"]
[3654,"OCc1cc(CO)ccc1\n\n\n","OCc1cccc(c1)CO","OCc1cccc(c1)CO","",1,"1,3-Benzenedimethanol(1)","626-18-6(1)","2526","High Reliability","-"]
[3655,"OCc1c(CO)cccc1\n\n\n","OCc1ccccc1CO","OCc1ccccc1CO","",1,"1,2-Benzenedimethanol(1)","612-14-6(1)","2418","High Reliability","-"]
[3656,"OCCOc1ccccc1\n\n\n","OCCOc1ccccc1","OCCOc1ccccc1","",1,"2-PHENOXYETHANOL(1)","122-99-6(1)","1400","High Reliability","-"]
[3657,"Cc1ccc(cc1)S(C)(=O)=O\n\n\n","Cc1ccc(cc1)S(=O)(=O)C","O=S(=O)(c1ccc(cc1)C)C","",1,"P-METHYLSULFONYLTOLUENE(1)","3185-99-7(1)","3343","High Reliability","-"]
[3658,"COc1cccc(OC)c1O\n\n\n","COc1cccc(c1O)OC","Oc1c(OC)cccc1(OC)","",1,"2,6-Dimethoxyphenol(1)","91-10-1(1)","662","High Reliability","-"]
[3659,"CCOS(=O)(=O)c1ccccc1\n\n\n","CCOS(=O)(=O)c1ccccc1","O=S(=O)(OCC)c1ccccc1","",1,"ETHYL BENZENESULFONATE(1)","515-46-8(1)","1968","High Reliability","-"]
[3660,"COC(=CC(O)=O)C(=O)C(C)=C\n\n\n","COC(=CC(=O)O)C(=O)C(=C)C","O=C(O)C=C(OC)C(=O)C(=C)C","",1,"PENICILLIC ACID(1)","90-65-3(1)","658","Medium Reliability","-"]
[3661,"OC(=O)C1CCCC=C1C(O)=O\n\n\n","OC(=O)C1=CCCCC1C(=O)O","O=C(O)C1=CCCCC1(C(=O)O)","",1,"2-Cyclohexene-1,2-dicarboxylic acid(1)","38765-78-5(1)","4696","Medium Reliability","-"]
[3662,"OC(=O)C1C2CCC(O2)C1C(O)=O\n[Na+].[Na+].[O-]C(=O)C1C2CCC(O2)C1C([O-])=O\n\n","OC(=O)C1C2CCC(C1C(=O)O)O2","O=C(O)C2C1OC(CC1)C2(C(=O)O)","",1,"ENDOTHAL(1)","145-73-3(1)","1608","High Reliability","Differences in counterions"]
[3663,"OC(=O)CCC(=O)OOC(=O)CCC(O)=O\nO=C1CCC(=O)OO1\n\n","O=C(OOC(=O)CCC(=O)O)CCC(=O)O","O=C(O)CCC(=O)OOC(=O)CCC(=O)O","",1,"succinylperoxide(1)","123-23-9(1)","1408","High Reliability","Name verified in PubChem"]
[3664,"OC(=O)CC(SC(CC(O)=O)C(O)=O)C(O)=O\n\n\n","OC(=O)C(CC(=O)O)SC(C(=O)O)CC(=O)O","O=C(O)CC(C(=O)O)SC(C(=O)O)CC(=O)O","",1,"Butanedioic acid, 2,2'-thiobis-(1)","4917-76-4(1)","3552","High Reliability","-"]
[3665,"CC(C)n1c(=O)[nH]c(C)c(Br)c1=O\n\n\n","Cc1[nH]c(=O)n(c(=O)c1Br)C(C)C","O=C1NC(=C(C(=O)N1C(C)C)Br)C","",1,"ISOCIL(1)","314-42-1(1)","1721","High Reliability","-"]
[3666,"ClC(Cl)C(=O)N(CC=C)CC=C\n\n\n","C=CCN(C(=O)C(Cl)Cl)CC=C","O=C(N(CC=C)CC=C)C(Cl)Cl","",1,"ACETAMIDE, 2,2-DICHLORO-N,N-DI-2-PROPENYL-(1)","37764-25-3(1)","4652","High Reliability","-"]
[3667,"OCC(O)C1OC2OC(OC2C1O)C(Cl)(Cl)Cl\n\n\n","OCC(C1OC2C(C1O)OC(O2)C(Cl)(Cl)Cl)O","OCC(O)C2OC1OC(OC1C2(O))C(Cl)(Cl)Cl","",1,"CHLORALOSE(1)","15879-93-3(1)","4081","High Reliability","Stereochemistry removed"]
[3668,"CCNc1ccccc1\n\n\n","CCNc1ccccc1","c1ccc(cc1)NCC","",1,"N-ETHYLANILINE(1)","103-69-5(1)","936","High Reliability","-"]
[3669,"CCc1cnc(C)cc1\n\n\n","CCc1ccc(nc1)C","n1cc(ccc1C)CC","",1,"5-ETHYL-2-METHYLPYRIDINE(1)","104-90-5(1)","961","High Reliability","-"]
[3670,"CCc1cccc(C)n1\n\n\n","CCc1cccc(n1)C","n1c(cccc1CC)C","",1,"PYRIDINE, 2-ETHYL-6-METHYL-(1)","1122-69-6(1)","2840","High Reliability","-"]
[3671,"Cc1cc(N)c(C)cc1\n\n\n","Cc1ccc(c(c1)N)C","Nc1cc(ccc1C)C","",1,"2,5-DIMETHYLANILINE(1)","95-78-3(1)","758","High Reliability","-"]
[3672,"Cc1ccc(N)cc1C\n\n\n","Nc1ccc(c(c1)C)C","Nc1ccc(c(c1)C)C","",1,"3,4-XYLIDINE(1)","95-64-7(1)","753","High Reliability","-"]
[3673,"Cc1cccc(C)c1N\n\n\n","Cc1cccc(c1N)C","Nc1c(cccc1C)C","",1,"2,6-DIMETHYLANILINE(1)","87-62-7(1)","592","High Reliability","-"]
[3674,"Cc1nc(C)c(C)cc1\n\n\n","Cc1ccc(c(n1)C)C","n1c(ccc(c1C)C)C","",1,"Pyridine, 2,3,6-trimethyl-(1)","1462-84-6(1)","2909","High Reliability","-"]
[3675,"Cc1cc(C)nc(C)c1\n\n\n","Cc1cc(C)nc(c1)C","n1c(cc(cc1C)C)C","",1,"2,4,6-COLLIDINE(1)","108-75-8(1)","1099","High Reliability","-"]
[3676,"Cc1ncc(C)c(C)c1\n\n\n","Cc1ncc(c(c1)C)C","n1cc(c(cc1C)C)C","",1,"2,4,5-TRIMETHYLPYRIDINE(1)","1122-39-0(1)","2838","High Reliability","-"]
[3677,"CC(N)c1ccccc1\n\n\n","CC(c1ccccc1)N","NC(c1ccccc1)C","",1,"BENZENEMETHANAMINE, .alpha.-METHYL-(1)","98-84-0(1)","826","High Reliability","-"]
[3678,"CNc1cccc(C)c1\n\n\n","CNc1cccc(c1)C","c1cc(cc(c1)C)NC","",1,"BENZENAMINE, N,3-DIMETHYL-(1)","696-44-6(1)","2643","High Reliability","-"]
[3679,"CN(C)c1ccccc1\n\n\n","CN(c1ccccc1)C","c1ccc(cc1)N(C)C","",1,"N,N-DIMETHYLANILINE(1)","121-69-7(1)","1377","High Reliability","-"]
[3680,"CNCc1ccccc1\n\n\n","CNCc1ccccc1","c1ccc(cc1)CNC","",1,"N-METHYLBENZYLAMINE(1)","103-67-3(1)","935","High Reliability","-"]
[3681,"OC(=O)CN(CCC#N)CCC#N\n\n\n","N#CCCN(CC(=O)O)CCC#N","N#CCCN(CC(=O)O)CCC#N","",1,"Glycine, N,N-bis(2-cyanoethyl)-(1)","6295-23-4(1)","3732","High Reliability","-"]
[3682,"[Na+].CN(C)c1ccc(cc1)N=NS([O-])(=O)=O\n\n\n","CN(c1ccc(cc1)N=NS(=O)(=O)O)C","O=S(=O)(O)N=Nc1ccc(cc1)N(C)C","",1,"FENAMINOSULF(1)","140-56-7(1)","1556","High Reliability","-"]
[3683,"Nc1ncc2ncn(COCCO)c2n1\n\n\n","OCCOCn1cnc2c1nc(N)nc2","OCCOCn2cnc1cnc(nc12)N","",1,"ETHANOL, 2-[(2-AMINO-9H-PURIN-9-YL)METHOXY]-(1)","84408-37-7(1)","5299","High Reliability","Checked on PubChem, Checked on ChemID"]
[3684,"Nc1nc2c(ncn2COCCO)c(=O)[nH]1\nNc1nc(=O)c2ncn(COCCO)c2[nH]1\n\n","OCCOCn1cnc2c1nc(N)[nH]c2=O","O=C2NC(=Nc1c2(ncn1COCCO))N","",1,"ACYCLOVIR(1)","59277-89-3(1)","4971","High Reliability","-"]
[3685,"OCCNc1ccccc1\n\n\n","OCCNc1ccccc1","OCCNc1ccccc1","",1,"2-ANILINOETHANOL(1)","122-98-5(1)","1399","High Reliability","-"]
[3686,"NCCc1ccc(O)cc1\n\n\n","NCCc1ccc(cc1)O","Oc1ccc(cc1)CCN","",1,"4-(2-AMINOETHYL)PHENOL(1)","51-67-2(1)","52","High Reliability","-"]
[3687,"OCCNc1ccccc1\nNCC(O)c1ccccc1\n\n","NCC(c1ccccc1)O","OC(c1ccccc1)CN","",1,"phenylethanolamine(1)","7568-93-6(1)","3860","High Reliability","Name verified in PubChem"]
[3688,"Cl.Cc1ncc(CO)c(CO)c1O\n[H+].[Cl-].Cc1ncc(CO)c(CO)c1O\n\n","OCc1c(CO)cnc(c1O)C","Oc1c(ncc(c1CO)CO)C","",1,"PYRIDOXINE HYDROCHLORIDE(1)","58-56-0(1)","154","High Reliability","Differences in counterions"]
[3689,"CN(C)c1cc(ccc1)S(O)(=O)=O\nCN(C)c1cccc(c1)S(O)(=O)=O\n\n","CN(c1cccc(c1)S(=O)(=O)O)C","O=S(=O)(O)c1cccc(c1)N(C)C","",1,"Benzenesulfonic acid, 3-(dimethylamino)-(1)","618-09-7(1)","2462","Medium Reliability","-"]
[3690,"NS(=O)(=O)c1ccc(SCCO)cc1\n\n\n","OCCSc1ccc(cc1)S(=O)(=O)N","O=S(=O)(N)c1ccc(cc1)SCCO","",1,"BENZENESULFONAMIDE, 4-[(2-HYDROXYETHYL)THIO]-(1)","108966-48-9(1)","5534","Medium Reliability","-"]
[3691,"Cc1cc(C)c(cc1)P(O)(O)=O\n\n\n","Cc1ccc(c(c1)C)P(=O)(O)O","O=P(O)(O)c1ccc(cc1C)C","",1,"(2,4-dimethylphenyl)phosphonic acid(1)","111192-85-9(1)","5560","Medium Reliability","-"]
[3692,"C=CC1CCC=CC1\n\n\n","C=CC1CCC=CC1","C=CC1CC=CCC1","",1,"4-VINYLCYCLOHEXENE(1)","100-40-3(1)","875","High Reliability","-"]
[3693,"ClCC(=O)N(CC=C)CC=C\n\n\n","ClCC(=O)N(CC=C)CC=C","O=C(N(CC=C)CC=C)CCl","",1,"2-CHLORO-N,N-DIALLYLACETAMIDE(1)","93-71-0(1)","708","High Reliability","-"]
[3694,"O=C(CC#N)N1CCCCC1\n\n\n","N#CCC(=O)N1CCCCC1","N#CCC(=O)N1CCCCC1","",1,"Piperidine, 1-(cyanoacetyl)-(1)","15029-30-8(1)","4049","High Reliability","-"]
[3695,"Cc1c(O)c(CN)c(CO)cn1\nCl.Cl.Cc1c(O)c(CN)c(CO)cn1\n[H+].[H+].[Cl-].[Cl-].Cc1ncc(CO)c(CN)c1O\n","NCc1c(CO)cnc(c1O)C","Oc1c(ncc(c1CN)CO)C","",1,"PYRIDOXAMINE(1)","524-36-7(1)","1985","High Reliability","Differences in counterions"]
[3696,"CCC1(CC)C(=O)NC(=O)NC1=O\n\n\n","CCC1(CC)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC)CC","",1,"BARBITAL(1)","57-44-3(1)","127","High Reliability","-"]
[3697,"OC(=O)CCC(NCCC#N)C(O)=O\n\n\n","N#CCCNC(C(=O)O)CCC(=O)O","N#CCCNC(C(=O)O)CCC(=O)O","",1,"Glutamic acid, N-(2-cyanoethyl)-(1)","90243-80-4(1)","5350","Medium Reliability","Stereochemistry removed"]
[3698,"CC(C)(N=NC(C)(C)C#N)C#N\n\n\n","N#CC(N=NC(C#N)(C)C)(C)C","N#CC(N=NC(C#N)(C)C)(C)C","",1,"2,2'-Azobis(2-methylpropionitrile)(1)","78-67-1(1)","441","High Reliability","-"]
[3699,"NC(=O)c1nn(cn1)C2OC(CO)C(O)C2O\n\n\n","OCC1OC(C(C1O)O)n1cnc(n1)C(=O)N","O=C(N)c1ncn(n1)C2OC(CO)C(O)C2(O)","",1,"RIBAVIRIN(1)","36791-04-5(1)","4639","High Reliability","Stereochemistry removed"]
[3700,"CC1(C)CC(=O)CC(=O)C1\n\n\n","O=C1CC(=O)CC(C1)(C)C","O=C1CC(=O)CC(C)(C)C1","",1,"5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE(1)","126-81-8(1)","1465","High Reliability","-"]
[3701,"CCOC(=O)C=CC(=O)OCC\n\n\n","CCOC(=O)C=CC(=O)OCC","O=C(OCC)C=CC(=O)OCC","",1,"DIETHYL MALEATE(1)","141-05-9(1)","1562","High Reliability","Stereochemistry removed"]
[3702,"OC(=O)C1CCC(CC1)C(O)=O\n\n\n","OC(=O)C1CCC(CC1)C(=O)O","O=C(O)C1CCC(C(=O)O)CC1","",1,"trans-Cyclohexane-1,4-dicarboxylic acid(1)","619-82-9(1)","2475","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3703,"OC(=O)C1CCCCC1C(O)=O\n\n\n","OC(=O)C1CCCCC1C(=O)O","O=C(O)C1CCCCC1(C(=O)O)","",1,"trans-Cyclohexane-1,2-dicarboxylic acid(1)","2305-32-0(1)","3162","High Reliability","Stereochemistry removed"]
[3704,"CC(CC(C)(C(O)=O)C(O)=O)C(O)=O\n\n\n","CC(C(=O)O)CC(C(=O)O)(C(=O)O)C","O=C(O)C(C)CC(C(=O)O)(C(=O)O)C","",1,"2,2,4-Pentanetricarboxylic acid(1)","69646-36-2(1)","5123","Medium Reliability","-"]
[3705,"CCOP(=S)(OCC)Oc1cnccn1\n\n\n","CCOP(=S)(Oc1nccnc1)OCC","n1ccnc(OP(OCC)(OCC)=S)c1","",1,"THIONAZIN(1)","297-97-2(1)","1685","High Reliability","-"]
[3706,"CCC1(CC)C(N)=NC(=O)NC1=O\n\n\n","CCC1(CC)C(=O)NC(=O)N=C1N","O=C1N=C(N)C(C(=O)N1)(CC)CC","",1,"2,4(3H,5H)-Pyrimidinedione, 6-amino-5,5-diethyl-(1)","58042-95-8(1)","4955","High Reliability","-"]
[3707,"CCC(CC)(C#N)C(O)=NC(O)=N\nCCC(CC)(C#N)C(=O)NC(N)=O\n\n","CCC(C(=NC(=N)O)O)(C#N)CC","N#CC(C(O)=NC(=N)O)(CC)CC","",1,"Butanamide, N-(aminocarbonyl)-2-cyano-2-ethyl-(1)","126245-49-6(1)","5659","Medium Reliability","-"]
[3708,"COC(=O)C1=CCCN(C)C1\n\n\n","COC(=O)C1=CCCN(C1)C","O=C(OC)C1=CCCN(C)C1","",1,"ARECOLINE(1)","63-75-2(1)","221","High Reliability","-"]
[3709,"CCCCCCC#C\n\n\n","CCCCCCC#C","C#CCCCCCC","",1,"1-OCTYNE(1)","629-05-0(1)","2563","High Reliability","-"]
[3710,"CC(C)=CC=C(C)C\n\n\n","CC(=CC=C(C)C)C","C(C=C(C)C)=C(C)C","",1,"2,5-DIMETHYL-2,4-HEXADIENE(1)","764-13-6(1)","2679","High Reliability","-"]
[3711,"CC(C)C(Br)C(O)=NC(C)C(O)=O\nCC(C)C(Br)C(=O)NC(C)C(O)=O\n\n","CC(C(C(=NC(C(=O)O)C)O)Br)C","O=C(O)C(N=C(O)C(C(C)C)Br)C","",1,"Alanine, N-(2-bromo-3-methylbutyryl)-, DL-(1)","6491-36-7(1)","3761","Medium Reliability","Stereochemistry removed"]
[3712,"CCNc1nc(NC(C)C)nc(Cl)n1\n\n\n","CCNc1nc(NC(C)C)nc(n1)Cl","n1c(nc(nc1NC(C)C)Cl)NCC","",1,"ATRAZINE(1)","1912-24-9(1)","3019","Medium Reliability","-"]
[3713,"CCN(CC)C(=S)SCC(Cl)=C\n\n\n","CCN(C(=S)SCC(=C)Cl)CC","C=C(CSC(N(CC)CC)=S)Cl","",1,"SULFALLATE(1)","95-06-7(1)","737","High Reliability","-"]
[3714,"CSCCC(NCCC#N)C(O)=O\n\n\n","CSCCC(C(=O)O)NCCC#N","N#CCCNC(C(=O)O)CCSC","",1,"DL-Methionine, N-(2-cyanoethyl)-(1)","5464-31-3(1)","3619","Medium Reliability","Checked on PubChem"]
[3715,"CNC(=O)ON=CC1(C)SCC(C)S1\n\n\n","CNC(=O)ON=CC1(C)SCC(S1)C","O=C(ON=CC1(C)(SCC(C)S1))NC","",1,"Tirpate(1)","26419-73-8(1)","4419","High Reliability","Stereochemistry removed"]
[3716,"CSc1nnc(c(=O)n1N)C(C)(C)C\n\n\n","CSc1nnc(c(=O)n1N)C(C)(C)C","O=C1C(=NN=C(N1(N))SC)C(C)(C)C","",1,"METRIBUZIN(1)","21087-64-9(1)","4287","High Reliability","-"]
[3717,"CCCC=C(CC)C=O\n\n\n","CCCC=C(C=O)CC","O=CC(=CCCC)CC","",1,"2-ETHYL-2-HEXENAL(1)","645-62-5(1)","2614","High Reliability","Stereochemistry removed"]
[3718,"CCCCOC(=O)C(C)=C\n\n\n","CCCCOC(=O)C(=C)C","O=C(OCCCC)C(=C)C","",1,"METHACRYLIC ACID, N-BUTYL ESTER(1)","97-88-1(1)","804","Medium Reliability","-"]
[3719,"CC(C)COC(=O)C(C)=C\n\n\n","CC(COC(=O)C(=C)C)C","O=C(OCC(C)C)C(=C)C","",1,"METHACRYLIC ACID, I-BUTYL ESTER(1)","97-86-9(1)","803","Medium Reliability","-"]
[3720,"CC(=C)C(=O)OC(C)(C)C\n\n\n","CC(=C)C(=O)OC(C)(C)C","O=C(OC(C)(C)C)C(=C)C","",1,"T-BUTYL METHACRYLATE(1)","585-07-9(1)","2248","High Reliability","-"]
[3721,"OC(=O)CCC1CCCC1\n\n\n","OC(=O)CCC1CCCC1","O=C(O)CCC1CCCC1","",1,"CYCLOPENTYLPROPRIONIC ACID(1)","140-77-2(1)","1558","Medium Reliability","-"]
[3722,"OC(=O)CC1CCCCC1\n\n\n","OC(=O)CC1CCCCC1","O=C(O)CC1CCCCC1","",1,"CYCLOHEXYLACETIC ACID(1)","5292-21-7(1)","3580","High Reliability","-"]
[3723,"CCC(CCC(O)=O)C(C)=O\n\n\n","CCC(C(=O)C)CCC(=O)O","O=C(O)CCC(C(=O)C)CC","",1,"Hexanoic acid, 4-ethyl-5-oxo-(1)","39517-97-0(1)","4715","Medium Reliability","-"]
[3724,"OC(C1CCCCC1)C(O)=O\n\n\n","OC(C(=O)O)C1CCCCC1","O=C(O)C(O)C1CCCCC1","",1,"Cyclohexaneacetic acid, .alpha.-hydroxy-(1)","4442-94-8(1)","3501","Medium Reliability","-"]
[3725,"COC(=O)CCCCC(=O)OC\n\n\n","COC(=O)CCCCC(=O)OC","O=C(OC)CCCCC(=O)OC","",1,"HEXANEDIOIC ACID, DIMETHYL ESTER(1)","627-93-0(1)","2550","Medium Reliability","-"]
[3726,"CCOC(=O)CCCCC(O)=O\nCCOC(=O)CCCCC([O-])=O\n\n","CCOC(=O)CCCCC(=O)O","O=C(O)CCCCC(=O)OCC","",1,"HEXANEDIOIC ACID, MONOETHYL ESTER(1)","626-86-8(1)","2533","High Reliability","-"]
[3727,"CCCCCC(C(O)=O)C(O)=O\n\n\n","CCCCCC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)CCCCC","",1,"PENTYLMALONIC ACID(1)","616-88-6(1)","2452","Medium Reliability","-"]
[3728,"CCOC(=O)CCC(=O)OCC\n\n\n","CCOC(=O)CCC(=O)OCC","O=C(OCC)CCC(=O)OCC","",1,"DIETHYL SUCCINATE(1)","123-25-1(1)","1409","High Reliability","-"]
[3729,"CCC(C(CC)C(O)=O)C(O)=O\n\n\n","CCC(C(C(=O)O)CC)C(=O)O","O=C(O)C(CC)C(C(=O)O)CC","",2,"Butanedioic acid, 2,3-diethyl-, (R*,S*)-(1), Butanedioic acid, 2,3-diethyl-(1)","35392-80-4(1), 1186-79-4(1)","4612, 2860","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed, Manual Check passed"]
[3730,"CCC(CC)(CC(O)=O)C(O)=O\n\n\n","CCC(C(=O)O)(CC(=O)O)CC","O=C(O)CC(C(=O)O)(CC)CC","",1,"Butanedioic acid, 2,2-diethyl-(1)","5692-97-7(1)","3654","High Reliability","-"]
[3731,"CC(CCC(C)C(O)=O)C(O)=O\n\n\n","CC(C(=O)O)CCC(C(=O)O)C","O=C(O)C(C)CCC(C(=O)O)C","",1,"Hexanedioic acid, 2,5-dimethyl-(1)","4454-18-6(1)","3502","High Reliability","Checked on PubChem, Checked on ChemID"]
[3732,"CC1CC(OC(C)=O)OC(C)O1\nCC1CC(O)OC(C)O1.CC(O)=O\n\n","CC1OC(C)OC(C1)OC(=O)C","O=C(OC1OC(OC(C)C1)C)C","",1,"2,6-dimethyl-1,3-dioxan-4-olacetate(1)","828-00-2(1)","2705","High Reliability","Name verified in PubChem"]
[3733,"CC(C)(C(O)=O)C(C)(C)C(O)=O\n\n\n","OC(=O)C(C(C(=O)O)(C)C)(C)C","O=C(O)C(C)(C)C(C(=O)O)(C)C","",1,"Butanedioic acid, tetramethyl-(1)","630-51-3(1)","2573","Medium Reliability","-"]
[3734,"OC(=O)CCCCCCC(O)=O\n\n\n","OC(=O)CCCCCCC(=O)O","O=C(O)CCCCCCC(=O)O","",1,"SUBERIC ACID(1)","505-48-6(1)","1931","High Reliability","-"]
[3735,"CC(=O)OCCSCCOC(C)=O\nCC(O)=O.CC(O)=O.OCCSCCO\n\n","CC(=O)OCCSCCOC(=O)C","O=C(OCCSCCOC(=O)C)C","",1,"ethanol,2,2'-thiobis-,diacetate(1)","4275-28-9(1)","3476","High Reliability","Name verified in PubChem"]
[3736,"CCOP(=O)(OCC)Oc1n[nH]c(C)c1\nCCOP(=O)(OCC)Oc1[nH]nc(C)c1\n\n","CCOP(=O)(Oc1n[nH]c(c1)C)OCC","O=P(Oc1n[nH]c(c1)C)(OCC)OCC","",1,"DIETHYL 3-METHYL-5-PYRAZOLYL PHOSPHATE(1)","108-34-9(1)","1078","High Reliability","-"]
[3737,"CC(C)CNC(=O)N1CCNC1=O\n\n\n","CC(CNC(=O)N1CCNC1=O)C","O=C1NCCN1C(=O)NCC(C)C","",1,"Isocarbamid(1)","30979-48-7(1)","4518","High Reliability","-"]
[3738,"CCNc1nc(O)nc(NC(C)C)n1\nCCNc1nc(=O)nc(NC(C)C)[nH]1\n\n","CCNc1nc(NC(C)C)nc(n1)O","Oc1nc(nc(n1)NC(C)C)NCC","",1,"4-ETHYLAMINO-6-ISOPROPYLAMINO-S-TRIAZIN-2-OL(1)","2163-68-0(1)","3110","Medium Reliability","-"]
[3739,"CCNc1nc(OC)nc(NCC)n1\n\n\n","CCNc1nc(NCC)nc(n1)OC","n1c(nc(nc1NCC)NCC)OC","",1,"SIMETONE(1)","673-04-1(1)","2623","High Reliability","-"]
[3740,"CCNc1nc(SC)nc(NCC)n1\n\n\n","CCNc1nc(NCC)nc(n1)SC","n1c(nc(nc1NCC)SC)NCC","",1,"SIMETRYN(1)","1014-70-6(1)","2798","High Reliability","-"]
[3741,"CNc1nc(SC)nc(NC(C)C)n1\n\n\n","CNc1nc(NC(C)C)nc(n1)SC","n1c(nc(nc1NC(C)C)SC)NC","",1,"DESMETRYNE(1)","1014-69-3(1)","2797","High Reliability","-"]
[3742,"CCCCC(=CC)C(O)=N\n\n\n","CCCCC(=CC)C(=N)O","N=C(O)C(=CC)CCCC","",1,"Hexanamide, 2-ethylidene-(1)","98552-24-0(1)","5419","Medium Reliability","-"]
[3743,"CC(=O)CC1CCCCN1\n\n\n","CC(=O)CC1CCCCN1","O=C(C)CC1NCCCC1","",1,"2-PROPANONE, 1-(2-PIPERIDINYL)-(1)","4396-01-4(1)","3490","High Reliability","Checked on PubChem, Checked on ChemID"]
[3744,"O=C1CCCCCCCN1\n\n\n","O=C1CCCCCCCN1","O=C1NCCCCCCC1","",1,"2-AZACYCLO-NONANONE(1)","935-30-8(1)","2757","Medium Reliability","-"]
[3745,"NCC1CCC(CC1)C(O)=O\n\n\n","NCC1CCC(CC1)C(=O)O","O=C(O)C1CCC(CN)CC1","",1,"Tranexamic acid(1)","1197-18-8(1)","2869","High Reliability","-"]
[3746,"CCCCC(NC(C)=O)C(O)=O\n\n\n","CCCCC(C(=O)O)NC(=O)C","O=C(O)C(NC(=O)C)CCCC","",2,"DL-Norleucine, N-acetyl-(1), D-Norleucine, N-acetyl-(1)","7682-16-8(1), 54896-21-8(1)","3870, 4898","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[3747,"CCN(CC)C(=O)CCC(O)=O\n\n\n","CCN(C(=O)CCC(=O)O)CC","O=C(O)CCC(=O)N(CC)CC","",1,"N,N-DIETHYL SUCCINAMIC ACID(1)","1522-00-5(1)","2921","Medium Reliability","-"]
[3748,"CCC(C)C(N=C(C)O)C(O)=O\nCCC(C)C(NC(C)=O)C(O)=O\nCCC(C)C(NC(C)=O)C(O)=O\n","CCC(C(C(=O)O)N=C(O)C)C","O=C(O)C(N=C(O)C)C(C)CC","",4,"D-Isoleucine, N-acetyl-(1), D-Alloisoleucine, N-acetyl-(1), L-Alloisoleucine, N-acetyl-(1), DL-Alloisoleucine, N-acetyl-(1)","19764-31-9(1), 54831-20-8(1), 20257-17-4(1), 33601-90-0(1)","4238, 4895, 4252, 4567","High Reliability","Checked on PubChem, Stereochemistry removed"]
[3749,"CC(C)CC(NC(C)=O)C(O)=O\n\n\n","CC(CC(C(=O)O)NC(=O)C)C","O=C(O)C(NC(=O)C)CC(C)C","",2,"L-Leucine, N-acetyl-(1), D-Leucine, N-acetyl-(1)","1188-21-2(1), 19764-30-8(1)","2864, 4237","High Reliability","Stereochemistry removed"]
[3750,"CCCC1OCC(C)(CO1)[N+]([O-])=O\n\n\n","CCCC1OCC(CO1)(C)[N+](=O)[O-]","O=[N+]([O-])C1(C)(COC(OC1)CCC)","",1,"m-Dioxane, 5-methyl-5-nitro-2-propyl-(1)","5663-15-0(1)","3651","Medium Reliability","-"]
[3751,"C1CCCCCCC1\n\n\n","C1CCCCCCC1","C1CCCCCCC1","",1,"CYCLOOCTANE(1)","292-64-8(1)","1684","High Reliability","-"]
[3752,"CCCC1CCCC1\n\n\n","CCCC1CCCC1","CCCC1CCCC1","",1,"PROPYLCYCLOPENTANE(1)","2040-96-2(1)","3072","High Reliability","-"]
[3753,"CCC1CCCCC1\n\n\n","CCC1CCCCC1","CCC1CCCCC1","",1,"ETHYLCYCLOHEXANE(1)","1678-91-7(1)","2957","High Reliability","-"]
[3754,"CCCCCCC=C\n\n\n","CCCCCCC=C","C=CCCCCCC","",1,"1-OCTENE(1)","111-66-0(1)","1225","High Reliability","-"]
[3755,"CC1CCC(C)CC1\n\n\n","CC1CCC(CC1)C","CC1CCC(C)CC1","",2,"1,4-DIMETHYLCYCLOHEXANE(1), 1,4-DIMETHYLCYCLOHEXANE (TRANS)(1)","589-90-2(1), 2207-04-7(1)","2278, 3126","High Reliability","Checked on PubChem, Checked on ChemID"]
[3756,"CC1CCC(C)(C)C1\n\n\n","CC1CCC(C1)(C)C","CC1CCC(C)(C)C1","",1,"1,1,3-TRIMETHYLCYCLOPENTANE(1)","4516-69-2(1)","3505","High Reliability","-"]
[3757,"CC1CCCCC1C\n\n\n","CC1CCCCC1C","CC1CCCCC1(C)","",3,"1,2-DIMETHYLCYCLOHEXANE(1), 1,2-DIMETHYLCYCLOHEXANE (CIS)(1), 1,2-DIMETHYLCYCLOHEXANE (TRANS)(1)","583-57-3(1), 2207-01-4(1), 6876-23-9(1)","2239, 3125, 3788","High Reliability","Stereochemistry removed"]
[3758,"CCCC(Br)(CCC)C(O)=N\n\n\n","CCCC(C(=N)O)(CCC)Br","N=C(O)C(CCC)(CCC)Br","",1,"Pentanamide, 2-bromo-2-propyl-(1)","63718-48-9(1)","5025","Medium Reliability","-"]
[3759,"ClCCS(=O)(=O)CCOCCS(=O)(=O)CCCl\n\n\n","ClCCS(=O)(=O)CCOCCS(=O)(=O)CCCl","O=S(=O)(CCOCCS(=O)(=O)CCCl)CCCl","",1,"Ethane, 1,1'-oxybis[2-[(2-chloroethyl)sulfonyl]-(1)","5143-78-2(1)","3568","Medium Reliability","-"]
[3760,"CN(C)C(=O)CCC(=O)N(C)C\n\n\n","CN(C(=O)CCC(=O)N(C)C)C","O=C(N(C)C)CCC(=O)N(C)C","",1,"Butanediamide, N,N,N',N'-tetramethyl-(1)","7334-51-2(1)","3830","Medium Reliability","-"]
[3761,"COP(=O)(OC)OC(C)=CC(=O)N(C)C\n\n\n","COP(=O)(OC(=CC(=O)N(C)C)C)OC","O=C(C=C(OP(=O)(OC)OC)C)N(C)C","",1,"DICROTOPHOS(1)","141-66-2(1)","1568","High Reliability","Stereochemistry removed"]
[3762,"CCCCCCCC=O\n\n\n","CCCCCCCC=O","O=CCCCCCCC","",1,"OCTANAL(1)","124-13-0(1)","1440","High Reliability","-"]
[3763,"CCCCCCC(C)=O\n\n\n","CCCCCCC(=O)C","O=C(C)CCCCCC","",1,"2-OCTANONE(1)","111-13-7(1)","1204","High Reliability","-"]
[3764,"CCCCCC(=O)CC\n\n\n","CCCCCC(=O)CC","O=C(CC)CCCCC","",1,"3-OCTANONE(1)","106-68-3(1)","1010","High Reliability","-"]
[3765,"CCCCC(CC)C=O\n\n\n","CCCCC(C=O)CC","O=CC(CC)CCCC","",1,"2-ETHYLHEXANAL(1)","123-05-7(1)","1402","High Reliability","-"]
[3766,"CCCCCCCC(O)=O\n\n\n","CCCCCCCC(=O)O","O=C(O)CCCCCCC","",1,"OCTANOIC ACID(1)","124-07-2(1)","1437","High Reliability","-"]
[3767,"CCCCCCOC(C)=O\n\n\n","CCCCCCOC(=O)C","O=C(OCCCCCC)C","",1,"N-HEXYL ACETATE(1)","142-92-7(1)","1590","High Reliability","-"]
[3768,"CCCCC(CC)C(O)=O\n\n\n","CCCCC(C(=O)O)CC","O=C(O)C(CC)CCCC","",1,"HEXANOIC ACID, 2-ETHYL-(1)","149-57-5(1)","1621","High Reliability","-"]
[3769,"CCCCCOC(=O)CC\n\n\n","CCCCCOC(=O)CC","O=C(OCCCCC)CC","",1,"AMYL PROPIONATE(1)","624-54-4(1)","2507","High Reliability","-"]
[3770,"CCCCCC(=O)OCC\n\n\n","CCCCCC(=O)OCC","O=C(OCC)CCCCC","",1,"ETHYL HEXANOATE(1)","123-66-0(1)","1422","High Reliability","-"]
[3771,"CCCC(CCC)C(O)=O\n\n\n","CCCC(C(=O)O)CCC","O=C(O)C(CCC)CCC","",1,"VALPROIC ACID(1)","99-66-1(1)","854","High Reliability","-"]
[3772,"CCCCOC(=O)CCC\n\n\n","CCCCOC(=O)CCC","O=C(OCCCC)CCC","",1,"N-BUTYLBUTYRATE(1)","109-21-7(1)","1125","Medium Reliability","-"]
[3773,"CC(C)COC(=O)C(C)C\n\n\n","CC(COC(=O)C(C)C)C","O=C(OCC(C)C)C(C)C","",1,"ISOBUTYL ISOBUTYRATE(1)","97-85-8(1)","802","High Reliability","-"]
[3774,"CC(C)CC(C)OC(C)=O\n\n\n","CC(CC(OC(=O)C)C)C","O=C(OC(C)CC(C)C)C","",1,"4-METHYL-2-PENTYL ACETATE(1)","108-84-9(1)","1104","High Reliability","-"]
[3775,"CC1(O)CCC(C)(O)CC1\n\n\n","CC1(O)CCC(CC1)(C)O","OC1(C)(CCC(O)(C)CC1)","",1,"1,4-Cyclohexanediol, 1,4-dimethyl-,(1)","90414-69-0(1)","5352","Medium Reliability","Checked on PubChem"]
[3776,"CCCCOCCOC(C)=O\nCCCCOCCO.CC(O)=O\n\n","CCCCOCCOC(=O)C","O=C(OCCOCCCC)C","",1,"2-butoxyethanolacetate(1)","112-07-2(1)","1242","High Reliability","Name verified in PubChem"]
[3777,"CCCCCOC(=O)C(C)O\n\n\n","CCCCCOC(=O)C(O)C","O=C(OCCCCC)C(O)C","",1,"AMYL LACTATE(1)","6382-06-5(1)","3749","Medium Reliability","-"]
[3778,"CCCCOCCC(=O)OC\n\n\n","CCCCOCCC(=O)OC","O=C(OC)CCOCCCC","",1,"Propanoic acid, 3-butoxy-, methyl ester(1)","4126-55-0(1)","3462","Medium Reliability","-"]
[3779,"CCCCOC(=O)CCOC\n\n\n","CCCCOC(=O)CCOC","O=C(OCCCC)CCOC","",1,"Propanoic acid, 3-methoxy-, butyl ester(1)","4195-88-4(1)","3469","High Reliability","-"]
[3780,"CC(C)C(O)C(C)(C)C(O)=O\n\n\n","OC(C(C(=O)O)(C)C)C(C)C","O=C(O)C(C)(C)C(O)C(C)C","",1,"Pentanoic acid, 3-hydroxy-2,2,4-trimethyl-(1)","35763-45-2(1)","4621","Medium Reliability","Checked on PubChem, Checked on ChemID"]
[3781,"CC(C)COC(=O)C(C)(C)O\n\n\n","CC(COC(=O)C(O)(C)C)C","O=C(OCC(C)C)C(O)(C)C","",1,"Lactic acid, 2-methyl-, isobutyl ester(1)","3196-85-8(1)","3347","Medium Reliability","-"]
[3782,"CCOCCOCCOC(C)=O\n\n\n","CCOCCOCCOC(=O)C","O=C(OCCOCCOCC)C","",1,"CARBITOL ACETATE(1)","112-15-2(1)","1243","High Reliability","-"]
[3783,"CC1OC(C)OC(C)OC(C)O1\n\n\n","CC1OC(C)OC(OC(O1)C)C","O1C(OC(OC(OC1C)C)C)C","",1,"Metaldehyde (tetramer)(1)","108-62-3(1)","1092","High Reliability","-"]
[3784,"COC1(C)COC(C)(CO1)OC\n\n\n","COC1(C)OCC(OC1)(C)OC","O(C)C1(OCC(OC)(OC1)C)(C)","",1,"1,4-DIOXANE, 2,5-DIMETHOXY-2,5-DIMETHYL-(1)","7504-90-7(1)","3850","High Reliability","-"]
[3785,"CCCCCCCCBr\n\n\n","CCCCCCCCBr","CCCCCCCCBr","",1,"1-BROMOOCTANE(1)","111-83-1(1)","1232","High Reliability","-"]
[3786,"CCCCCCCCCl\n\n\n","CCCCCCCCCl","CCCCCCCCCl","",1,"1-CHLOROOCTANE(1)","111-85-3(1)","1234","High Reliability","-"]
[3787,"CCCCC(CC)CCl\n\n\n","CCCCC(CCl)CC","CCCCC(CC)CCl","",1,"3-(CHLOROMETHYL)HEPTANE(1)","123-04-6(1)","1401","High Reliability","-"]
[3788,"CCCC1CCCCN1\n\n\n","CCCC1CCCCN1","N1CCCCC1CCC","",1,"2-PROPYLPIPERIDINE(1)","458-88-8(1)","1800","High Reliability","Stereochemistry removed"]
[3789,"CC(C)CN1CCOCC1\n\n\n","CC(CN1CCOCC1)C","O1CCN(CC1)CC(C)C","",1,"N-ISOBUTYLMORPHOLINE(1)","10315-98-7(1)","3911","High Reliability","-"]
[3790,"CCCCCN=C(O)C(C)O\nCCCCCNC(=O)C(C)O\n\n","CCCCCN=C(C(O)C)O","OC(=NCCCCC)C(O)C","",1,"Propanamide, 2-hydroxy-N-pentyl-(1)","5323-54-6(1)","3582","High Reliability","-"]
[3791,"CCOC(=O)C(N)CC(C)C\n\n\n","CCOC(=O)C(CC(C)C)N","O=C(OCC)C(N)CC(C)C","",1,"Leucine, ethyl ester(1)","2743-60-4(1)","3280","High Reliability","Stereochemistry removed"]
[3792,"CCCCCCCC\n\n\n","CCCCCCCC","CCCCCCCC","",1,"OCTANE(1)","111-65-9(1)","1224","High Reliability","-"]
[3793,"CCCCC(C)CC\n\n\n","CCCCC(CC)C","CCCCC(C)CC","",1,"3-METHYLHEPTANE(1)","589-81-1(1)","2275","High Reliability","-"]
[3794,"CCCCC(C)(C)C\n\n\n","CCCCC(C)(C)C","CCCCC(C)(C)C","",1,"2,2-DIMETHYLHEXANE(1)","590-73-8(1)","2292","High Reliability","-"]
[3795,"CC(C)C(C)C(C)C\n\n\n","CC(C(C)C)C(C)C","CC(C)C(C)C(C)C","",1,"2,3,4-TRIMETHYLPENTANE(1)","565-75-3(1)","2196","High Reliability","-"]
[3796,"CCC(C)C(C)(C)C\n\n\n","CCC(C(C)(C)C)C","CCC(C)C(C)(C)C","",1,"2,2,3-TRIMETHYLPENTANE(1)","564-02-3(1)","2184","High Reliability","-"]
[3797,"CC(C)CC(C)(C)C\n\n\n","CC(CC(C)(C)C)C","CC(C)CC(C)(C)C","",1,"2,2,4-TRIMETHYLPENTANE(1)","540-84-1(1)","2073","High Reliability","-"]
[3798,"CCCCN(CCCC)N=O\n\n\n","CCCCN(N=O)CCCC","O=NN(CCCC)CCCC","",1,"N-NITROSODIBUTYLAMINE(1)","924-16-3(1)","2744","High Reliability","-"]
[3799,"CCC(CC)(CC)NC(O)=N\n\n\n","CCC(NC(=N)O)(CC)CC","N=C(O)NC(CC)(CC)CC","",1,"Urea, (1,1-diethylpropyl)-(1)","67216-85-7(1)","5076","Medium Reliability","-"]
[3800,"CCCCCCCCO\n\n\n","CCCCCCCCO","OCCCCCCCC","",1,"1-OCTANOL(1)","111-87-5(1)","1236","High Reliability","-"]
[3801,"CCCCCCC(C)O\n\n\n","CCCCCCC(O)C","OC(C)CCCCCC","",3,"2-OCTANOL(1), dl-2-Octanol(1), 2-Octanol(1)","123-96-6(1), 4128-31-8(1), 6169-06-8(1)","1433, 3463, 3710","High Reliability","Stereochemistry removed"]
[3802,"CCCCC(CC)CO\n\n\n","CCCCC(CO)CC","OCC(CC)CCCC","",1,"2-ETHYL-1-HEXANOL(1)","104-76-7(1)","958","Medium Reliability","-"]
[3803,"CCCCOCCCC\n\n\n","CCCCOCCCC","O(CCCC)CCCC","",1,"DI-N-BUTYL ETHER(1)","142-96-1(1)","1591","High Reliability","-"]
[3804,"CCCCC(C)C(C)O\n\n\n","CCCCC(C(O)C)C","OC(C)C(C)CCCC","",1,"3-Methyl-2-heptanol(1)","31367-46-1(1)","4524","High Reliability","-"]
[3805,"CCCCCC(C)(C)O\n\n\n","CCCCCC(O)(C)C","OC(C)(C)CCCCC","",1,"2-METHYL-2-HEPTANOL(1)","625-25-2(1)","2515","High Reliability","-"]
[3806,"CCCCC(O)C(C)C\n\n\n","CCCCC(C(C)C)O","OC(CCCC)C(C)C","",1,"3-Heptanol, 2-methyl-(1)","18720-62-2(1)","4206","High Reliability","Checked on PubChem, Checked on ChemID"]
[3807,"CCCC(C)CC(C)O\n\n\n","CCCC(CC(O)C)C","OC(C)CC(C)CCC","",1,"2-Heptanol, 4-methyl-(1)","56298-90-9(1)","4928","High Reliability","-"]
[3808,"CCCC(O)CC(C)C\n\n\n","CCCC(CC(C)C)O","OC(CCC)CC(C)C","",1,"4-HEPTANOL, 2-METHYL-(1)","21570-35-4(1)","4297","High Reliability","Checked on PubChem, Checked on ChemID"]
[3809,"CCCC(C)C(O)CC\n\n\n","CCCC(C(CC)O)C","OC(CC)C(C)CCC","",1,"3-HEPTANOL, 4-METHYL- (VAN8CI9CI)(1)","14979-39-6(1)","4048","Medium Reliability","-"]
[3810,"CCCCC(C)(O)CC\n\n\n","CCCCC(CC)(O)C","OC(C)(CC)CCCC","",2,"3-METHYL-3-HEPTANOL(1), 3-Methyl-3-heptanol(1)","598-06-1(1), 5582-82-1(1)","2344, 3633","High Reliability","Checked on PubChem, Checked on ChemID"]
[3811,"CCCC(C)(O)CCC\n\n\n","CCCC(CCC)(O)C","OC(C)(CCC)CCC","",1,"4-HEPTANOL, 4-METHYL-(1)","598-01-6(1)","2343","High Reliability","-"]
[3812,"CCCC(O)C(C)CC\n\n\n","CCCC(C(CC)C)O","OC(CCC)C(C)CC","",1,"4-Heptanol, 3-methyl-(1)","1838-73-9(1)","2998","High Reliability","-"]
[3813,"CCC(C)CC(O)CC\n\n\n","CCC(CC(CC)O)C","OC(CC)CC(C)CC","",1,"3-HEPTANOL, 5-METHYL-(1)","18720-65-5(1)","4207","High Reliability","Checked on PubChem, Checked on ChemID"]
[3814,"CCC(O)CCC(C)C\n\n\n","CCC(CCC(C)C)O","OC(CC)CCC(C)C","",1,"Ethylisopentylcarbinol(1)","18720-66-6(1)","4208","High Reliability","Checked on PubChem, Checked on ChemID"]
[3815,"CCC(C)(O)C(C)(C)C\n\n\n","CCC(C(C)(C)C)(O)C","OC(C)(CC)C(C)(C)C","",1,"2,2,3-TRIMETHYL-3-PENTANOL(1)","7294-05-5(1)","3829","High Reliability","-"]
[3816,"CC(C)CCCCCO\n\n\n","OCCCCCC(C)C","OCCCCCC(C)C","",2,"1-HEPTANOL, 6-METHYL-(1), ISOOCTYL ALCOHOL(1)","1653-40-3(1), 26952-21-6(1)","2954, 4434","High Reliability","Manual Check passed"]
[3817,"CCCCCCOCCO\n\n\n","CCCCCCOCCO","OCCOCCCCCC","",1,"ETHANOL, 2-(HEXYLOXY)-(1)","112-25-4(1)","1245","High Reliability","-"]
[3818,"CCCC(O)C(CC)CO\n\n\n","CCCC(C(CO)CC)O","OCC(CC)C(O)CCC","",1,"2-ETHYL-1,3-HEXANDIOL(1)","94-96-2(1)","736","High Reliability","-"]
[3819,"CC(C)C(O)C(C)(C)CO\n\n\n","OCC(C(C(C)C)O)(C)C","OCC(C)(C)C(O)C(C)C","",1,"2,2,4-TRIMETHYL-1,3-PENTANEDIOL(1)","144-19-4(1)","1599","High Reliability","-"]
[3820,"CC(C)(C)OOC(C)(C)C\n\n\n","CC(OOC(C)(C)C)(C)C","O(OC(C)(C)C)C(C)(C)C","",1,"T-BUTYL-PEROXIDE(1)","110-05-4(1)","1160","High Reliability","-"]
[3821,"CC(C)(C)S(=O)(=O)C(C)(C)C\n\n\n","CC(S(=O)(=O)C(C)(C)C)(C)C","O=S(=O)(C(C)(C)C)C(C)(C)C","",1,"DI-TERT-BUTYLSULFONE(1)","1886-75-5(1)","3012","Medium Reliability","-"]
[3822,"CCCCOCCOCCO\n\n\n","CCCCOCCOCCO","OCCOCCOCCCC","",1,"DIETHYLENE GLYCOL MONO-N-BUTYL ETHER(1)","112-34-5(1)","1249","High Reliability","-"]
[3823,"CCOC(CC(C)O)OCC\n\n\n","CCOC(CC(O)C)OCC","OC(C)CC(OCC)OCC","",1,"2-Butanol, 4,4-diethoxy-(1)","77533-80-3(1)","5242","Medium Reliability","-"]
[3824,"CC(C)CCOCC(O)CO\n\n\n","OCC(COCCC(C)C)O","OCC(O)COCCC(C)C","",1,"3-isopentyloxy-propane-1,2-diol(1)","627-92-9(1)","2549","High Reliability","-"]
[3825,"CC(O)CCOCCC(C)O\n\n\n","CC(CCOCCC(O)C)O","OC(C)CCOCCC(O)C","",1,"4,4'-Oxydi-2-butanol(1)","821-33-0(1)","2699","High Reliability","-"]
[3826,"CCOCCOCCOCCO\nCCOC(O)COCCOCCO\n\n","OCCOCCOCCOCC","OCCOCCOCCOCC","",1,"ethoxytriethyleneglycol(1)","112-50-5(1)","1257","High Reliability","Name verified in PubChem"]
[3827,"CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC\n\n\n","CCC(S(=O)(=O)CC)(S(=O)(=O)CC)C","O=S(=O)(CC)C(C)(CC)S(=O)(=O)CC","",1,"TRIONAL(1)","76-20-0(1)","392","High Reliability","-"]
[3828,"OCCOCCOCCOCCO\n\n\n","OCCOCCOCCOCCO","OCCOCCOCCOCCO","",1,"TETRAETHYLENE GLYCOL(1)","112-60-7(1)","1261","High Reliability","-"]
[3829,"CCCCSS(=O)CCCC\n\n\n","CCCCSS(=O)CCCC","O=S(CCCC)SCCCC","",1,"Butane-1-thiosulfinic acid S-butyl ester(1)","7559-55-9(1)","3859","Medium Reliability","Checked on PubChem"]
[3830,"CCCCCCCCN\n\n\n","CCCCCCCCN","NCCCCCCCC","",1,"N-OCTYLAMINE(1)","111-86-4(1)","1235","High Reliability","-"]
[3831,"CCCCC(CC)CN\n\n\n","CCCCC(CN)CC","NCC(CC)CCCC","",1,"2-ETHYLHEXYLAMINE(1)","104-75-6(1)","957","High Reliability","-"]
[3832,"CCCCNCCCC\n\n\n","CCCCNCCCC","N(CCCC)CCCC","",1,"DIBUTYLAMINE(1)","111-92-2(1)","1239","High Reliability","-"]
[3833,"CC(C)N(CCO)C(C)C\n\n\n","OCCN(C(C)C)C(C)C","OCCN(C(C)C)C(C)C","",1,"2-(BIS(1-METHYLETHYL)AMINO)ETHANOL(1)","96-80-0(1)","783","High Reliability","-"]
[3834,"CCC(O)CNCC(O)CC\n\n\n","CCC(CNCC(CC)O)O","OC(CNCC(O)CC)CC","",1,"Di-sec-butanolamine(1)","21838-75-5(1)","4304","High Reliability","Checked on PubChem, Checked on ChemID"]
[3835,"CCCSP(=O)(OCC)SCCC\n\n\n","CCCSP(=O)(SCCC)OCC","O=P(OCC)(SCCC)SCCC","",1,"O-ETHYL S,S-DIPROPYL PHOSPHORODITHIOATE(1)","13194-48-4(1)","3962","High Reliability","-"]
[3836,"CCOP(=S)(OCC)SCCSCC\n\n\n","CCSCCSP(=S)(OCC)OCC","O(CC)P(OCC)(=S)SCCSCC","",1,"DISULFOTON(1)","298-04-4(1)","1691","High Reliability","-"]
[3837,"CCOP(=O)(OCC)SCCSCC\nCCOP(=O)(OCC)SCCSCC.CCOP(=S)(OCC)OCCSCC\n\n","CCSCCSP(=O)(OCC)OCC","O=P(OCC)(OCC)SCCSCC","",2,"Demeton-S(1), DEMETON(1)","126-75-0(1), 8000-97-3(1)","1464, 3888","High Reliability","Organic counterion, Checked on PubChem, Checked on ChemID"]
[3838,"CCOP(=S)(OCC)OCCSCC\n\n\n","CCSCCOP(=S)(OCC)OCC","O(CC)P(OCC)(OCCSCC)=S","",1,"Demeton-O(1)","298-03-3(1)","1690","High Reliability","-"]
[3839,"CCOP(=S)(OCC)SCCS(=O)CC\n\n\n","CCOP(=S)(OCC)SCCS(=O)CC","O=S(CC)CCSP(OCC)(OCC)=S","",1,"DISULFOTON SULFOXIDE(1)","2497-07-6(1)","3223","High Reliability","-"]
[3840,"CCCCOP(O)(=O)OCCCC\n\n\n","CCCCOP(=O)(OCCCC)O","O=P(O)(OCCCC)OCCCC","",1,"DI-N-BUTYL PHOSPHATE(1)","107-66-4(1)","1050","Medium Reliability","-"]
[3841,"CCCOP(=O)(OCC)OCCC\n\n\n","CCCOP(=O)(OCCC)OCC","O=P(OCC)(OCCC)OCCC","",1,"Phosphoric acid, ethyl dipropyl ester(1)","55312-81-7(1)","4909","Medium Reliability","-"]
[3842,"CCCCOP(=O)(OCC)OCC\n\n\n","CCCCOP(=O)(OCC)OCC","O=P(OCC)(OCC)OCCCC","",1,"Phosphoric acid, butyl diethyl ester(1)","2737-00-0(1)","3279","High Reliability","-"]
[3843,"CCOP(=O)(OCC)OCC(C)C\n\n\n","CCOP(=O)(OCC(C)C)OCC","O=P(OCC)(OCC)OCC(C)C","",1,"Phosphoric acid, diethyl 2-methylpropyl ester(1)","26628-97-7(1)","4424","Medium Reliability","-"]
[3844,"CCOP(=S)(OCC)SCCS(=O)(=O)CC\n\n\n","CCOP(=S)(SCCS(=O)(=O)CC)OCC","O=S(=O)(CC)CCSP(OCC)(OCC)=S","",1,"DISULFOTON SULFONE(1)","2497-06-5(1)","3222","High Reliability","-"]
[3845,"CCOP(=S)(OCC)OP(=S)(OCC)OCC\n\n\n","CCOP(=S)(OP(=S)(OCC)OCC)OCC","O(CC)P(OCC)(OP(OCC)(OCC)=S)=S","",1,"SULFOTEPP(1)","3689-24-5(1)","3413","High Reliability","-"]
[3846,"CCOP(=O)(OCC)OP(=O)(OCC)OCC\n\n\n","CCOP(=O)(OP(=O)(OCC)OCC)OCC","O=P(OCC)(OCC)OP(=O)(OCC)OCC","",1,"TETRAETHYL PYROPHOSPHATE(1)","107-49-3(1)","1048","High Reliability","-"]
[3847,"NCCNCCNCCNCCN\n\n\n","NCCNCCNCCNCCN","NCCNCCNCCNCCN","",1,"TETRAETHYLENEPENTAMINE(1)","112-57-2(1)","1259","High Reliability","-"]
[3848,"CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C\n\n\n","CN(P(=O)(N(C)C)OP(=O)(N(C)C)N(C)C)C","O=P(OP(=O)(N(C)C)N(C)C)(N(C)C)N(C)C","",1,"OCTAMETHYLPYROPHOSPHORAMIDE(1)","152-16-9(1)","1633","High Reliability","-"]
[3849,"Clc1c(Cl)c2c(nccn2)c(Cl)c1Cl\n\n\n","Clc1c(Cl)c(Cl)c(c2c1nccn2)Cl","n1ccnc2c1c(c(c(c2Cl)Cl)Cl)Cl","",1,"QUINOXALINE, 5,6,7,8-TETRACHLORO-(1)","3495-42-9(1)","3389","High Reliability","-"]
[3850,"Clc1c(Cl)c(Cl)c(Cl)c2c1COC2=O\nClc1ccc2C(=O)OC(Cl)(Cl)c2c1Cl\nClc1c(Cl)c(Cl)c2C(=O)OCc2c1Cl\n","O=C1OCc2c1c(Cl)c(Cl)c(c2Cl)Cl","O=C1OCc2c1c(c(c(c2Cl)Cl)Cl)Cl","",1,"tetrachlorophthalide(1)","27355-22-2(1)","4446","High Reliability","Name verified in PubChem"]
[3851,"OC(=O)c1c(C(O)=O)c(Cl)c(Cl)c(Cl)c1Cl\nOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(O)=O\n\n","OC(=O)c1c(C(=O)O)c(Cl)c(c(c1Cl)Cl)Cl","O=C(O)c1c(C(=O)O)c(c(c(c1Cl)Cl)Cl)Cl","",1,"TETRACHLOROPHTHALIC ACID(1)","632-58-6(1)","2582","High Reliability","-"]
[3852,"FC(F)(F)c1nc2c([nH]1)ccc(Cl)c2Cl\nFC(F)(F)c1[nH]c2ccc(Cl)c(Cl)c2n1\n\n","Clc1ccc2c(c1Cl)nc([nH]2)C(F)(F)F","FC(F)(F)c2nc1c(ccc(c1Cl)Cl)[nH]2","",1,"2-CF3-4,5-DICHLOROBENZIMIDAZOLE(1)","3615-21-2(1)","3403","Medium Reliability","-"]
[3853,"N#Cc1ccccc1C#N\n\n\n","N#Cc1ccccc1C#N","N#Cc1ccccc1(C#N)","",1,"1,2-DICYANOBENZENE(1)","91-15-6(1)","663","High Reliability","-"]
[3854,"[O-][N+](=O)c1cc2c([nH]c(=O)[nH]c2=O)c(c1)[N+]([O-])=O\n\n\n","O=c1[nH]c(=O)c2c([nH]1)c(cc(c2)[N+](=O)[O-])[N+](=O)[O-]","O=C1NC(=O)c2cc(cc(c2(N1))[N+](=O)[O-])[N+](=O)[O-]","",1,"2,4(1H,3H)-Quinazolinedione, 6,8-dinitro-(1)","606-33-7(1)","2384","High Reliability","-"]
[3855,"O=C1OC(=O)c2c1cccc2\nO=C1OC(=O)c2ccccc12\n\n","O=C1OC(=O)c2c1cccc2","O=C1OC(=O)c2ccccc12","",1,"PHTHALIC ANHYDRIDE(1)","85-44-9(1)","557","High Reliability","-"]
[3856,"Brc1cc2c(COC2=O)cc1\nBrc1ccc2COC(=O)c2c1\n\n","Brc1ccc2c(c1)C(=O)OC2","O=C1OCc2ccc(cc12)Br","",1,"1(3H)-Isobenzofuranone, 6-bromo-(1)","19477-73-7(1)","4228","High Reliability","-"]
[3857,"OC(=O)c1cc(Br)c(cc1)C(O)=O\nOC(=O)c1ccc(C(O)=O)c(Br)c1\n\n","OC(=O)c1ccc(c(c1)Br)C(=O)O","O=C(O)c1ccc(C(=O)O)c(c1)Br","",1,"1,4-Benzenedicarboxylic acid, 2-bromo-(1)","586-35-6(1)","2257","High Reliability","-"]
[3858,"OC(=O)Cc1c(Cl)ccc(Cl)c1Cl\n[Na+].[O-]C(=O)Cc1c(Cl)ccc(Cl)c1Cl\n\n","OC(=O)Cc1c(Cl)ccc(c1Cl)Cl","O=C(O)Cc1c(ccc(c1Cl)Cl)Cl","",1,"FENAC(1)","85-34-7(1)","554","High Reliability","Differences in counterions"]
[3859,"OC(=O)COc1c(Cl)ccc(Cl)c1Cl\n\n\n","OC(=O)COc1c(Cl)ccc(c1Cl)Cl","O=C(O)COc1c(ccc(c1Cl)Cl)Cl","",1,"2,3,6-Trichlorophenoxyacetic acid(1)","4007-00-5(1)","3453","High Reliability","-"]
[3860,"OC(=O)COc1c(Cl)cc(Cl)cc1Cl\n\n\n","OC(=O)COc1c(Cl)cc(cc1Cl)Cl","O=C(O)COc1c(cc(cc1Cl)Cl)Cl","",1,"2,4,6-TRICHLOROPHENOXYACETIC ACID(1)","575-89-3(1)","2210","High Reliability","-"]
[3861,"OC(=O)COc1c(Cl)cc(Cl)c(Cl)c1\nOC(=O)COc1cc(Cl)c(Cl)cc1Cl\n\n","OC(=O)COc1cc(Cl)c(cc1Cl)Cl","O=C(O)COc1cc(c(cc1Cl)Cl)Cl","",1,"2,4,5-TRICHLOROPHENOXYACETIC ACID(1)","93-76-5(1)","710","High Reliability","-"]
[3862,"Clc1cc2c(COC2=O)cc1\nClc1ccc2COC(=O)c2c1\n\n","Clc1ccc2c(c1)C(=O)OC2","O=C1OCc2ccc(cc12)Cl","",1,"1(3H)-Isobenzofuranone, 6-chloro-(1)","19641-29-3(1)","4233","Medium Reliability","-"]
[3863,"OC(=O)c1cccc(Cl)c1C(O)=O\n\n\n","OC(=O)c1c(Cl)cccc1C(=O)O","O=C(O)c1cccc(c1(C(=O)O))Cl","",1,"1,2-BENZENEDICARBOXYLIC ACID, 3-CHLORO-(1)","27563-65-1(1)","4450","High Reliability","Checked on PubChem, Checked on ChemID"]
[3864,"OC(=O)c1cc(cc(Cl)c1)C(O)=O\n\n\n","Clc1cc(cc(c1)C(=O)O)C(=O)O","O=C(O)c1cc(cc(c1)Cl)C(=O)O","",1,"1,3-Benzenedicarboxylic acid, 5-chloro-(1)","2157-39-3(1)","3108","High Reliability","-"]
[3865,"OC(=O)c1ccccc1C(F)(F)F\n\n\n","OC(=O)c1ccccc1C(F)(F)F","O=C(O)c1ccccc1C(F)(F)F","",1,"Benzoic acid, 2-(trifluoromethyl)-(1)","433-97-6(1)","1778","High Reliability","Checked on PubChem, Checked on ChemID"]
[3866,"Ic1cc2c(COC2=O)cc1\nIc1ccc2COC(=O)c2c1\n\n","Ic1ccc2c(c1)C(=O)OC2","O=C1OCc2ccc(cc12)I","",1,"1(3H)-Isobenzofuranone, 6-iodo-(1)","53910-10-4(1)","4880","Medium Reliability","-"]
[3867,"O=C1NC(=O)c2c1cccc2\nO=C1NC(=O)c2ccccc12\n\n","O=C1NC(=O)c2c1cccc2","O=C1NC(=O)c2ccccc12","",1,"PHTHALIMIDE(1)","85-41-6(1)","556","High Reliability","-"]
[3868,"OC(=O)c1ccc(cc1)C#N\n\n\n","N#Cc1ccc(cc1)C(=O)O","N#Cc1ccc(cc1)C(=O)O","",1,"P-CYANOBENZOIC ACID(1)","619-65-8(1)","2473","Medium Reliability","-"]
[3869,"[O-][N+](=O)c1ccc2COC(=O)c2c1\n\n\n","[O-][N+](=O)c1ccc2c(c1)C(=O)OC2","O=C1OCc2ccc(cc12)[N+](=O)[O-]","",1,"1(3H)-ISOBENZOFURANONE, 6-NITRO-(1)","610-93-5(1)","2411","High Reliability","Checked on PubChem, Checked on ChemID"]
[3870,"OC(=O)c1cc(C(O)=O)c(cc1)[N+]([O-])=O\nOC(=O)c1ccc(c(c1)C(O)=O)[N+]([O-])=O\n\n","OC(=O)c1cc(ccc1[N+](=O)[O-])C(=O)O","O=C(O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-]","",1,"1,3-Benzenedicarboxylic acid, 4-nitro-(1)","4315-09-7(1)","3479","Medium Reliability","-"]
[3871,"OC(=O)c1cccc(C(O)=O)c1[N+]([O-])=O\n\n\n","[O-][N+](=O)c1c(cccc1C(=O)O)C(=O)O","O=C(O)c1cccc(C(=O)O)c1[N+](=O)[O-]","",1,"1,3-Benzenedicarboxylic acid, 2-nitro-(1)","21161-11-5(1)","4290","High Reliability","-"]
[3872,"OC(=O)c1c(C(O)=O)c(ccc1)[N+]([O-])=O\nOC(=O)c1cccc(c1C(O)=O)[N+]([O-])=O\n\n","OC(=O)c1cccc(c1C(=O)O)[N+](=O)[O-]","O=C(O)c1cccc(c1(C(=O)O))[N+](=O)[O-]","",1,"3-NITROPHTHALIC ACID(1)","603-11-2(1)","2374","High Reliability","-"]
[3873,"C#Cc1ccccc1\n\n\n","C#Cc1ccccc1","C#Cc1ccccc1","",1,"ETHYNYL BENZENE(1)","536-74-3(1)","2041","High Reliability","-"]
[3874,"COc1c(Cl)ccc(Cl)c1C(O)=O\n\n\n","COc1c(Cl)ccc(c1C(=O)O)Cl","O=C(O)c1c(OC)c(ccc1Cl)Cl","",1,"DICAMBA(1)","1918-00-9(1)","3024","High Reliability","-"]
[3875,"OC(=O)COc1c(Cl)cc(Cl)cc1\n\n\n","OC(=O)COc1ccc(cc1Cl)Cl","O=C(O)COc1ccc(cc1Cl)Cl","",1,"2,4-DICHLOROPHENOXYACETIC ACID(1)","94-75-7(1)","730","High Reliability","-"]
[3876,"OC(=O)COc1cc(Cl)cc(Cl)c1\n\n\n","OC(=O)COc1cc(Cl)cc(c1)Cl","O=C(O)COc1cc(cc(c1)Cl)Cl","",1,"3,5-DICHLOROPHENOXYACETIC ACID(1)","587-64-4(1)","2265","High Reliability","-"]
[3877,"OC(=O)COc1c(Cl)c(Cl)ccc1\n\n\n","OC(=O)COc1cccc(c1Cl)Cl","O=C(O)COc1cccc(c1Cl)Cl","",1,"2,3-DICHLOROPHENOXYACETIC ACID(1)","2976-74-1(1)","3307","High Reliability","-"]
[3878,"OC(=O)COc1cc(Cl)c(Cl)cc1\n\n\n","OC(=O)COc1ccc(c(c1)Cl)Cl","O=C(O)COc1ccc(c(c1)Cl)Cl","",1,"3,4-DICHLOROPHENOXYACETIC ACID(1)","588-22-7(1)","2266","High Reliability","-"]
[3879,"COc1c(OC)c(Cl)c(Cl)c(Cl)c1Cl\nCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1OC\n\n","COc1c(OC)c(Cl)c(c(c1Cl)Cl)Cl","O(c1c(OC)c(c(c(c1Cl)Cl)Cl)Cl)C","",1,"Benzene, 1,2,3,4-tetrachloro-5,6-dimethoxy-(1)","944-61-6(1)","2767","High Reliability","-"]
[3880,"NS(=O)(=O)c1cc2c(NC=NS2(=O)=O)cc1C(F)(F)F\n\n\n","FC(c1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N)(F)F","O=S2(=O)(N=CNc1cc(c(cc12)S(=O)(=O)N)C(F)(F)F)","",1,"FLUMETHAZIDE(1)","148-56-1(1)","1615","Medium Reliability","-"]
[3881,"c1ccc2cnncc2c1\n\n\n","c1ccc2c(c1)cnnc2","n1ncc2ccccc2(c1)","",1,"PHTHALAZINE(1)","253-52-1(1)","1670","Medium Reliability","-"]
[3882,"c1cc2c(cc1)nccn2\nc1ccc2nccnc2c1\n\n","c1ccc2c(c1)nccn2","n1ccnc2ccccc12","",1,"QUINOXALINE(1)","91-19-0(1)","666","High Reliability","-"]
[3883,"Oc1cccc2c1nncc2\nOc1cccc2ccnnc12\n\n","Oc1cccc2c1nncc2","Oc1cccc2ccnnc12","",1,"8-cinnolinol(1)","17056-95-0(1)","4130","Medium Reliability","-"]
[3884,"Oc1cccc2cncnc12\n\n\n","Oc1cccc2c1ncnc2","Oc1cccc2cncnc12","",1,"8-Quinazolinol(1)","7557-02-0(1)","3857","Medium Reliability","-"]
[3885,"O=c1cccc-2[nH]ccnc12\nOc1cccc2nccnc12\n\n","O=c1cccc2c1ncc[nH]2","O=C1C=CC=C2NC=CN=C12","",1,"5-Quinoxalinol(1)","17056-99-4(1)","4132","Medium Reliability","Checked on PubChem"]
[3886,"Oc1c2ncccc2cnc1\nOc1cncc2cccnc12\n\n","Oc1cncc2c1nccc2","Oc1cncc2cccnc12","",1,"1,6-Naphthyridin-8-ol(1)","17057-00-0(1)","4133","Medium Reliability","-"]
[3887,"O=c1[nH]ccc2c1nccc2\nO=c1[nH]ccc2cccnc12\n\n","O=c1[nH]ccc2c1nccc2","O=C1NC=Cc2cccnc12","",1,"1,7-Naphthyridin-8(7H)-one(1)","67967-11-7(1)","5094","Medium Reliability","-"]
[3888,"OC(=O)COc1c(cc(cc1)[N+]([O-])=O)[N+]([O-])=O\n\n\n","OC(=O)COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]","O=C(O)COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]","",1,"Acetic acid, (2,4-dinitrophenoxy)-(1)","25141-25-7(1)","4377","High Reliability","-"]
[3889,"CSC(=O)c1cccc2c1snn2\nCSC(=O)c1cccc2nnsc12\n\n","CSC(=O)c1cccc2c1snn2","O=C(c2cccc1nnsc12)SC","",1,"CGA 245704(1)","135158-54-2(1)","5683","High Reliability","-"]
[3890,"[O-][N+](=O)c1ccc(o1)C=NN2CC(=O)NC2=O\n\n\n","O=C1NC(=O)N(C1)N=Cc1ccc(o1)[N+](=O)[O-]","O=C2NC(=O)CN2(N=Cc1oc(cc1)[N+](=O)[O-])","",1,"NITROFURANTOIN(1)","67-20-9(1)","248","High Reliability","Stereochemistry removed"]
[3891,"NC(=O)NC1NC(=O)NC1=O\nOC1(C(=O)NC(=O)NC1=O)C2(O)C(=O)NC(=O)NC2=O\n\n","O=C1NC(=O)NC(=O)C1(O)C1(O)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(O)(C(=O)N1)C2(O)(C(=O)NC(=O)NC2(=O))","",1,"alloxantin(1)","76-24-4(1)","394","High Reliability","Name verified in PubChem"]
[3892,"OC(=O)CNc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","OC(=O)CNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","O=C(O)CNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","",1,"Glycine, N-(2,4,6-trinitrophenyl)-(1)","1032-44-6(1)","2804","Medium Reliability","-"]
[3893,"O=Cc1ccc(C=O)cc1\n\n\n","O=Cc1ccc(cc1)C=O","O=Cc1ccc(C=O)cc1","",1,"1,4-Benzenedicarboxaldehyde(1)","623-27-8(1)","2494","High Reliability","-"]
[3894,"O=Cc1ccc2OCOc2c1\n\n\n","O=Cc1ccc2c(c1)OCO2","O=Cc1ccc2OCOc2(c1)","",1,"PIPERONAL(1)","120-57-0(1)","1358","High Reliability","-"]
[3895,"OC(=O)C(=O)c1ccccc1\n\n\n","O=C(c1ccccc1)C(=O)O","O=C(O)C(=O)c1ccccc1","",1,"BENZOYLFORMIC ACID(1)","611-73-4(1)","2417","High Reliability","-"]
[3896,"OC(=O)c1c(O)ccc(C=O)c1\nOC(=O)c1cc(C=O)ccc1O\n\n","O=Cc1ccc(c(c1)C(=O)O)O","O=Cc1ccc(O)c(c1)C(=O)O","",1,"Benzoic acid, 5-formyl-2-hydroxy-(1)","616-76-2(1)","2450","High Reliability","-"]
[3897,"OC(=O)c1cccc(C=O)c1O\n\n\n","O=Cc1cccc(c1O)C(=O)O","O=Cc1cccc(C(=O)O)c1(O)","",1,"Benzoic acid, 3-formyl-2-hydroxy-(1)","610-04-8(1)","2406","High Reliability","-"]
[3898,"OC(=O)c1ccc(cc1)C(O)=O\n\n\n","OC(=O)c1ccc(cc1)C(=O)O","O=C(O)c1ccc(cc1)C(=O)O","",1,"TEREPHTHALIC ACID(1)","100-21-0(1)","871","High Reliability","-"]
[3899,"OC(=O)c1cc(ccc1)C(O)=O\n\n\n","OC(=O)c1cccc(c1)C(=O)O","O=C(O)c1cccc(c1)C(=O)O","",1,"ISOPHTHALIC ACID(1)","121-91-5(1)","1382","High Reliability","-"]
[3900,"OC(=O)c1ccccc1C(O)=O\n[K+].OC(=O)c1c(cccc1)C([O-])=O\n[K+].OC(=O)c1ccccc1C([O-])=O\n","OC(=O)c1ccccc1C(=O)O","O=C(O)c1ccccc1(C(=O)O)","",2,"O-PHTHALIC ACID(1), Potassium Biphthalate(1)","88-99-3(1), 877-24-7(1)","626, 2728","High Reliability","-"]
[3901,"OC(=O)c1ccc(O)c(c1)C(O)=O\n\n\n","OC(=O)c1ccc(c(c1)C(=O)O)O","O=C(O)c1ccc(O)c(c1)C(=O)O","",1,"4-Hydroxyisophthalic acid(1)","636-46-4(1)","2593","High Reliability","Checked on PubChem, Checked on ChemID"]
[3902,"OC(=O)c1cc(cc(O)c1)C(O)=O\n\n\n","Oc1cc(cc(c1)C(=O)O)C(=O)O","O=C(O)c1cc(O)cc(c1)C(=O)O","",1,"5-Hydroxyisophthalic acid(1)","618-83-7(1)","2467","High Reliability","-"]
[3903,"OC(=O)c1cc(C(O)=O)c(cc1)S(O)(=O)=O\nOC(=O)c1ccc(c(c1)C(O)=O)S(O)(=O)=O\n\n","OC(=O)c1cc(ccc1S(=O)(=O)O)C(=O)O","O=C(O)c1ccc(c(c1)C(=O)O)S(=O)(=O)O","",1,"1,3-Benzenedicarboxylic acid, 4-sulfo-(1)","51084-31-2(1)","4799","Medium Reliability","-"]
[3904,"s1ccc2c1cccc2\ns1ccc2ccccc12\n\n","c1ccc2c(c1)scc2","c1ccc2c(c1)ccs2","",1,"BENZO(B)THIOPHENE(1)","95-15-8(1)","740","High Reliability","-"]
[3905,"ClC(Cl)C(=O)Nc1ccccc1\n\n\n","ClC(C(=O)Nc1ccccc1)Cl","O=C(Nc1ccccc1)C(Cl)Cl","",1,"Acetamide, 2,2-dichloro-N-phenyl-(1)","2563-99-7(1)","3237","Medium Reliability","-"]
[3906,"COC(=O)c1cc(Cl)cc(N)c1Cl\n\n\n","COC(=O)c1cc(Cl)cc(c1Cl)N","O=C(OC)c1cc(cc(N)c1Cl)Cl","",1,"CHLORAMBEN, METHYL ESTER(1)","7286-84-2(1)","3824","High Reliability","-"]
[3907,"COc1cc(Cl)c(Cl)c(Cl)c1OC\n\n\n","COc1cc(Cl)c(c(c1OC)Cl)Cl","O(c1cc(c(c(c1(OC))Cl)Cl)Cl)C","",1,"3,4,5-Trichloroveratrole(1)","16766-29-3(1)","4115","High Reliability","-"]
[3908,"COc1c(O)c(Cl)cc(C=O)c1\nCOc1cc(C=O)cc(Cl)c1O\n\n","COc1cc(C=O)cc(c1O)Cl","O=Cc1cc(OC)c(O)c(c1)Cl","",1,"5-Chlorovanillin(1)","19463-48-0(1)","4227","High Reliability","-"]
[3909,"COC(=O)c1cc(Cl)c(O)cc1\n\n\n","COC(=O)c1ccc(c(c1)Cl)O","O=C(OC)c1ccc(O)c(c1)Cl","",1,"Benzoic acid, 3-chloro-4-hydroxy-, methyl ester(1)","3964-57-6(1)","3449","High Reliability","-"]
[3910,"Cc1cc(O)c(cc1Cl)C(O)=O\n\n\n","OC(=O)c1cc(Cl)c(cc1O)C","O=C(O)c1cc(c(cc1(O))C)Cl","",1,"Benzoic acid, 5-chloro-2-hydroxy-4-methyl-(1)","35458-35-6(1)","4614","Medium Reliability","-"]
[3911,"OC(=O)COc1ccc(Cl)cc1\n\n\n","OC(=O)COc1ccc(cc1)Cl","O=C(O)COc1ccc(cc1)Cl","",1,"P-CHLOROPHENOXYACETIC ACID(1)","122-88-3(1)","1397","High Reliability","-"]
[3912,"OC(=O)COc1cc(Cl)ccc1\n\n\n","OC(=O)COc1cccc(c1)Cl","O=C(O)COc1cccc(c1)Cl","",1,"M-CHLOROPHENOXYACETIC ACID(1)","588-32-9(1)","2267","High Reliability","-"]
[3913,"OC(=O)COc1ccccc1Cl\nClOC(=O)COc1ccccc1\n\n","OC(=O)COc1ccccc1Cl","O=C(O)COc1ccccc1Cl","",1,"o-chlorophenoxyaceticacid(1)","614-61-9(1)","2428","High Reliability","Name verified in PubChem"]
[3914,"COC(=O)c1cc(I)c(O)cc1\n\n\n","COC(=O)c1ccc(c(c1)I)O","O=C(OC)c1ccc(O)c(c1)I","",1,"Benzoic acid, 4-hydroxy-3-iodo-, methyl ester(1)","15126-06-4(1)","4056","Medium Reliability","-"]
[3915,"[nH]1ccc2c1cccc2\n[nH]1ccc2ccccc12\n\n","c1ccc2c(c1)[nH]cc2","c1ccc2[nH]ccc2(c1)","",1,"INDOLE(1)","120-72-9(1)","1360","High Reliability","-"]
[3916,"N#CCc1ccccc1\n\n\n","N#CCc1ccccc1","N#CCc1ccccc1","",1,"PHENYLACETONITRILE(1)","140-29-4(1)","1555","High Reliability","-"]
[3917,"Cc1c(cc(cc1C(N)=O)[N+]([O-])=O)[N+]([O-])=O\nCc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(N)=O\n\n","[O-][N+](=O)c1cc(C(=O)N)c(c(c1)[N+](=O)[O-])C","O=C(N)c1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-]","",1,"BENZAMIDE, 2-METHYL-3,5-DINITRO-(1)","148-01-6(1)","1613","High Reliability","-"]
[3918,"CCN(c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","CCN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])N([N+](=O)[O-])CC)[N+](=O)[O-]","",1,"Benzenamine, N-ethyl-N,2,4,6-tetranitro-(1)","6052-13-7(1)","3696","High Reliability","-"]
[3919,"O=C1COc2ccccc2N1\n\n\n","O=C1COc2c(N1)cccc2","O=C1Nc2ccccc2(OC1)","",1,"2H-1,4-Benzoxazin-3(4H)-one(1)","5466-88-6(1)","3625","High Reliability","-"]
[3920,"Nc1cc2c(COC2=O)cc1\nNc1ccc2COC(=O)c2c1\n\n","Nc1ccc2c(c1)C(=O)OC2","O=C1OCc2ccc(N)cc12","",1,"1(3H)-Isobenzofuranone, 6-amino-(1)","57319-65-0(1)","4944","High Reliability","-"]
[3921,"OC(=O)C(=O)Nc1ccccc1\n\n\n","O=C(C(=O)O)Nc1ccccc1","O=C(O)C(=O)Nc1ccccc1","",1,"ACETIC ACID, OXO(PHENYLAMINO)-(1)","500-72-1(1)","1913","High Reliability","-"]
[3922,"OC(=O)COc1c(cccc1)[N+]([O-])=O\n[O-][N+](=O)OC(=O)COc1ccccc1\nOC(=O)COc1ccccc1[N+]([O-])=O\n","OC(=O)COc1ccccc1[N+](=O)[O-]","O=C(O)COc1ccccc1[N+](=O)[O-]","",1,"o-nitrophenoxyaceticacid(1)","1878-87-1(1)","3011","High Reliability","Name verified in PubChem"]
[3923,"Cc1ccc(cc1)N=C=S\n\n\n","S=C=Nc1ccc(cc1)C","C(=Nc1ccc(cc1)C)=S","",1,"4-METHYLPHENYLISOTHIOCYANATE(1)","622-59-3(1)","2486","High Reliability","-"]
[3924,"S=C=NCc1ccccc1\n\n\n","S=C=NCc1ccccc1","C(=NCc1ccccc1)=S","",1,"BENZYLISOTHIOCYANATE(1)","622-78-6(1)","2487","High Reliability","-"]
[3925,"CSc1nc2ccccc2s1\n\n\n","CSc1nc2c(s1)cccc2","n2c1ccccc1sc2SC","",1,"2-METHYLTHIOBENZOTHIAZOLE(1)","615-22-5(1)","2432","High Reliability","-"]
[3926,"C=Cc1ccccc1\n\n\n","C=Cc1ccccc1","C=Cc1ccccc1","",1,"STYRENE(1)","100-42-5(1)","877","High Reliability","-"]
[3927,"COP(=S)(OC)Oc1c(Cl)cc(Br)c(Cl)c1\n\n\n","COP(=S)(Oc1cc(Cl)c(cc1Cl)Br)OC","O(c1cc(c(cc1Cl)Br)Cl)P(OC)(OC)=S","",1,"BROMOPHOS(1)","2104-96-3(1)","3097","High Reliability","-"]
[3928,"COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl\n\n\n","COP(=S)(Oc1cc(Cl)c(cc1Cl)I)OC","O(c1cc(c(cc1Cl)I)Cl)P(OC)(OC)=S","",1,"IODOFENPHOS(1)","18181-70-9(1)","4184","High Reliability","-"]
[3929,"Cc1cc(O)c(Cl)c(C)c1Cl\n\n\n","Clc1c(C)cc(c(c1C)Cl)O","Oc1cc(c(c(c1Cl)C)Cl)C","",1,"Phenol, 2,4-dichloro-3,5-dimethyl-(1)","133-53-9(1)","1515","High Reliability","-"]
[3930,"COc1cc(Cl)c(Cl)cc1OC\n\n\n","COc1cc(Cl)c(cc1OC)Cl","O(c1cc(c(cc1(OC))Cl)Cl)C","",1,"4,5-Dichloroveratrole(1)","2772-46-5(1)","3284","High Reliability","-"]
[3931,"COc1cc(Cl)c(OC)cc1Cl\n\n\n","COc1cc(Cl)c(cc1Cl)OC","O(c1cc(c(OC)cc1Cl)Cl)C","",1,"1,4-DICHLORO-2,5-DIMETHOXYBENZENE(1)","2675-77-6(1)","3272","High Reliability","-"]
[3932,"OS(=O)(=O)OCCOc1c(Cl)cc(Cl)cc1\n\n\n","Clc1ccc(c(c1)Cl)OCCOS(=O)(=O)O","O=S(=O)(O)OCCOc1ccc(cc1Cl)Cl","",1,"2,4-DES(1)","149-26-8(1)","1618","Medium Reliability","-"]
[3933,"NS(=O)(=O)c1c(Cl)cc2NC(NS(=O)(=O)c2c1)C(Cl)Cl\nNS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl\n\n","ClC(C1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl","O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))C(Cl)Cl","",1,"TRICHLORMETHIAZIDE(1)","133-67-5(1)","1516","High Reliability","-"]
[3934,"COP(=S)(OC)Oc1c(Cl)cc(Cl)c(Cl)c1\n\n\n","COP(=S)(Oc1cc(Cl)c(cc1Cl)Cl)OC","O(c1cc(c(cc1Cl)Cl)Cl)P(OC)(OC)=S","",1,"RONNEL(1)","299-84-3(1)","1698","High Reliability","-"]
[3935,"CC(=O)Nc1ccc(Cl)cc1\n\n\n","CC(=O)Nc1ccc(cc1)Cl","O=C(Nc1ccc(cc1)Cl)C","",1,"P-CHLOROACETANILIDE(1)","539-03-7(1)","2056","High Reliability","-"]
[3936,"NS(=O)(=O)c1c(cc2NCNS(=O)(=O)c2c1)C(F)(F)F\nNS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F\n\n","FC(c1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N)(F)F","O=S(=O)(N)c1cc2c(cc1C(F)(F)F)NCNS2(=O)(=O)","",1,"HYDROFLUMETHIAZIDE(1)","135-09-1(1)","1523","High Reliability","-"]
[3937,"Cc1nc2ccccc2[nH]1\n\n\n","Cc1nc2c([nH]1)cccc2","n1c2ccccc2([nH]c1C)","",1,"2-methylbenaimidazole(1)","615-15-6(1)","2431","Medium Reliability","Name verified in PubChem"]
[3938,"COc1c(C#N)c(=O)n(C)cc1\n\n\n","N#Cc1c(OC)ccn(c1=O)C","N#CC=1C(=O)N(C=CC=1(OC))C","",1,"RICIDINE(1)","524-40-3(1)","1986","High Reliability","-"]
[3939,"NC(=O)c1c(cccc1)C(N)=O\nNC(=O)c1ccccc1C(N)=O\n\n","NC(=O)c1ccccc1C(=O)N","O=C(N)c1ccccc1(C(=O)N)","",1,"1,2-BENZENEDICARBOXAMIDE(1)","88-96-0(1)","625","High Reliability","-"]
[3940,"CC(=O)Nc1ccc(cc1)[N+]([O-])=O\n\n\n","CC(=O)Nc1ccc(cc1)[N+](=O)[O-]","O=C(Nc1ccc(cc1)[N+](=O)[O-])C","",1,"4-NITROACETANILIDE(1)","104-04-1(1)","946","Medium Reliability","-"]
[3941,"CC(=O)Nc1c(cccc1)[N+]([O-])=O\n[O-][N+](=O)CC(=O)Nc1ccccc1\n\n","CC(=O)Nc1ccccc1[N+](=O)[O-]","O=C(Nc1ccccc1[N+](=O)[O-])C","",1,"2-nitroacetanilide(1)","552-32-9(1)","2130","Medium Reliability","Name verified in PubChem"]
[3942,"Cn1c(=O)c(C)nc2cncnc12\n\n\n","Cc1nc2cncnc2n(c1=O)C","O=C2C(=Nc1cncnc1N2C)C","",1,"7(8H)-Pteridinone, 6,8-dimethyl-(1)","99584-31-3(1)","5441","Medium Reliability","-"]
[3943,"Cn1c(=O)n(C)c2nccnc2c1=O\n\n\n","Cn1c2nccnc2c(=O)n(c1=O)C","O=C2c1nccnc1N(C(=O)N2C)C","",1,"2,4(1H,3H)-Pteridinedione, 1,3-dimethyl-(1)","13401-18-8(1)","3972","High Reliability","-"]
[3944,"CC(=O)OCn1ncc2c1ncnc2O\n\n\n","CC(=O)OCn1ncc2c1ncnc2O","O=C(OCn2ncc1c(O)ncnc12)C","",1,"ALLOPURINOL, 1-[(ACETYLOXY)METHYL]-(1)","98846-64-1(1)","5430","Medium Reliability","Checked on PubChem"]
[3945,"[O-][N+](=O)c1ccc(o1)C=NN2CCNC2=O\n\n\n","O=C1NCCN1N=Cc1ccc(o1)[N+](=O)[O-]","O=C2NCCN2(N=Cc1oc(cc1)[N+](=O)[O-])","",1,"Nifuradene(1)","555-84-0(1)","2151","High Reliability","Stereochemistry removed"]
[3946,"CCNc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O\n\n\n","CCNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(c(NCC)c(c1)[N+](=O)[O-])[N+](=O)[O-]","",1,"Benzenamine, N-ethyl-2,4,6-trinitro-(1)","7449-27-6(1)","3843","High Reliability","-"]
[3947,"NC(N)=Nc1sc2ccccc2n1\n\n\n","NC(=Nc1nc2c(s1)cccc2)N","N(=C(N)N)c2nc1ccccc1s2","",1,"Guanidine, 2-benzothiazolyl-(1)","2582-07-2(1)","3243","High Reliability","Checked on PubChem, Checked on ChemID"]
[3948,"C1OC1c2ccccc2\n\n\n","O1CC1c1ccccc1","O1CC1c2ccccc2","",1,"STYRENE OXIDE(1)","96-09-3(1)","764","High Reliability","-"]
[3949,"CC(=O)c1ccccc1\n\n\n","CC(=O)c1ccccc1","O=C(c1ccccc1)C","",1,"ACETOPHENONE(1)","98-86-2(1)","828","High Reliability","-"]
[3950,"Cc1ccc(C=O)cc1\n\n\n","O=Cc1ccc(cc1)C","O=Cc1ccc(cc1)C","",1,"P-TOLUALDEHYDE(1)","104-87-0(1)","960","High Reliability","-"]
[3951,"COC(=O)c1ccccc1\n\n\n","COC(=O)c1ccccc1","O=C(OC)c1ccccc1","",1,"BENZOIC ACID, METHYL ESTER(1)","93-58-3(1)","705","High Reliability","-"]
[3952,"COc1ccc(C=O)cc1\n\n\n","COc1ccc(cc1)C=O","O=Cc1ccc(OC)cc1","",1,"P-ANISALDEHYDE(1)","123-11-5(1)","1405","High Reliability","-"]
[3953,"CC(=O)c1ccc(O)cc1\n\n\n","CC(=O)c1ccc(cc1)O","O=C(c1ccc(O)cc1)C","",1,"P-HYDROXYACETOPHENONE(1)","99-93-4(1)","861","High Reliability","-"]
[3954,"Cc1ccc(cc1)C(O)=O\n\n\n","OC(=O)c1ccc(cc1)C","O=C(O)c1ccc(cc1)C","",1,"P-TOLUIC ACID(1)","99-94-5(1)","862","High Reliability","-"]
[3955,"Cc1cccc(c1)C(O)=O\n\n\n","Cc1cccc(c1)C(=O)O","O=C(O)c1cccc(c1)C","",1,"M-TOLUIC ACID(1)","99-04-7(1)","835","High Reliability","-"]
[3956,"Cc1c(cccc1)C(O)=O\nCc1ccccc1C(O)=O\n\n","OC(=O)c1ccccc1C","O=C(O)c1ccccc1C","",1,"O-TOLUIC ACID(1)","118-90-1(1)","1327","High Reliability","-"]
[3957,"OC(=O)Cc1ccccc1\n\n\n","OC(=O)Cc1ccccc1","O=C(O)Cc1ccccc1","",1,"PHENYLACETIC ACID(1)","103-82-2(1)","940","High Reliability","-"]
[3958,"COc1ccc(cc1)C(O)=O\n\n\n","COc1ccc(cc1)C(=O)O","O=C(O)c1ccc(OC)cc1","",2,"P-METHOXYBENZOIC ACID(1), ANISIC ACID(1)","100-09-4(1), 1335-08-6(1)","869, 2894","High Reliability","-"]
[3959,"COc1ccccc1C(O)=O\nCOOC(=O)c1ccccc1\n\n","COc1ccccc1C(=O)O","O=C(O)c1ccccc1(OC)","",1,"o-methoxybenzoicacid(1)","579-75-9(1)","2223","High Reliability","Name verified in PubChem"]
[3960,"COC(=O)c1ccc(O)cc1\n\n\n","COC(=O)c1ccc(cc1)O","O=C(OC)c1ccc(O)cc1","",1,"4-hydroxymethylbenzoate(1)","99-76-3(1)","856","Medium Reliability","Name verified in PubChem"]
[3961,"COC(=O)c1c(O)cccc1\nCOC(=O)c1ccccc1O\n\n","COC(=O)c1ccccc1O","O=C(OC)c1ccccc1(O)","",1,"METHYL SALICYLATE(1)","119-36-8(1)","1336","High Reliability","-"]
[3962,"COc1c(O)ccc(C=O)c1\nCOc1cc(C=O)ccc1O\n\n","COc1cc(C=O)ccc1O","O=Cc1ccc(O)c(OC)c1","",1,"VANILLIN(1)","121-33-5(1)","1372","High Reliability","-"]
[3963,"Cc1cc(O)c(cc1)C(O)=O\nCc1ccc(C(O)=O)c(O)c1\n\n","Cc1ccc(c(c1)O)C(=O)O","O=C(O)c1ccc(cc1(O))C","",1,"4-METHYLSALICYLIC ACID(1)","50-85-1(1)","36","High Reliability","-"]
[3964,"Cc1cc(C(O)=O)c(O)cc1\nCc1ccc(O)c(c1)C(O)=O\n\n","Cc1ccc(c(c1)C(=O)O)O","O=C(O)c1cc(ccc1(O))C","",1,"5-METHYLSALICYLIC ACID(1)","89-56-5(1)","632","High Reliability","-"]
[3965,"Cc1c(O)c(ccc1)C(O)=O\nCc1cccc(C(O)=O)c1O\n\n","OC(=O)c1cccc(c1O)C","O=C(O)c1cccc(c1(O))C","",1,"3-METHYLSALICYLIC ACID(1)","83-40-9(1)","523","High Reliability","-"]
[3966,"OCc1ccccc1C(O)=O\n\n\n","OCc1ccccc1C(=O)O","O=C(O)c1ccccc1CO","",1,"Benzoic acid, 2-(hydroxymethyl)-(1)","612-20-4(1)","2419","Medium Reliability","-"]
[3967,"OC(C(O)=O)c1ccccc1\n\n\n","OC(c1ccccc1)C(=O)O","O=C(O)C(O)c1ccccc1","",4,"A-HYDROXYPHENYLACETIC ACID(1), BENZENEACETIC ACID, .alpha.-HYDROXY-, (R)-(1), dl-Mandelic acid(1), Benzeneacetic acid, .alpha.-hydroxy-, (S)-(1)","90-64-2(1), 611-71-2(1), 611-72-3(1), 17199-29-0(1)","657, 2415, 2416, 4147","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[3968,"OC(=O)Cc1cc(O)ccc1\n\n\n","OC(=O)Cc1cccc(c1)O","O=C(O)Cc1cccc(O)c1","",1,"M-HYDROXYPHENYLACETIC ACID(1)","621-37-4(1)","2479","High Reliability","-"]
[3969,"OC(=O)Cc1ccc(O)cc1\n\n\n","OC(=O)Cc1ccc(cc1)O","O=C(O)Cc1ccc(O)cc1","",1,"P-HYDROXYPHENYLACETIC ACID(1)","156-38-7(1)","1637","High Reliability","-"]
[3970,"OC(=O)COc1ccccc1\n\n\n","OC(=O)COc1ccccc1","O=C(O)COc1ccccc1","",1,"PHENOXYACETIC ACID(1)","122-59-8(1)","1393","High Reliability","-"]
[3971,"COc1cc(ccc1O)C(O)=O\n\n\n","COc1cc(ccc1O)C(=O)O","O=C(O)c1ccc(O)c(OC)c1","",1,"4-HYDROXY-3-METHOXYBENZOIC ACID(1)","121-34-6(1)","1373","High Reliability","-"]
[3972,"CCOC(=O)c1coc(=O)cc1\n\n\n","CCOC(=O)c1ccc(=O)oc1","O=C1OC=C(C=C1)C(=O)OCC","",1,"2H-Pyran-5-carboxylic acid, 2-oxo-, ethyl ester(1)","5942-96-1(1)","3681","High Reliability","-"]
[3973,"CC(=O)c1c(O)c(O)c(O)cc1\nCC(=O)c1ccc(O)c(O)c1O\n\n","CC(=O)c1ccc(c(c1O)O)O","O=C(c1ccc(O)c(O)c1(O))C","",1,"Ethanone, 1-(2,3,4-trihydroxyphenyl)-(1)","528-21-2(1)","2004","High Reliability","-"]
[3974,"CC(=O)c1cc(O)c(O)c(O)c1\n\n\n","CC(=O)c1cc(O)c(c(c1)O)O","O=C(c1cc(O)c(O)c(O)c1)C","",1,"Ethanone, 1-(3,4,5-trihydroxyphenyl)-(1)","33709-29-4(1)","4570","High Reliability","-"]
[3975,"Cc1cc(O)c(C(O)=O)c(O)c1\n\n\n","OC(=O)c1c(O)cc(cc1O)C","O=C(O)c1c(O)cc(cc1(O))C","",1,"Benzoic acid, 2,6-dihydroxy-4-methyl-(1)","480-67-1(1)","1849","High Reliability","-"]
[3976,"OC(=O)Cc1c(O)ccc(O)c1\n\n\n","OC(=O)Cc1cc(O)ccc1O","O=C(O)Cc1cc(O)ccc1(O)","",1,"BENZENEACETIC ACID, 2,5-DIHYDROXY-(1)","451-13-8(1)","1792","High Reliability","-"]
[3977,"OC(=O)C1=C(CC=CC1)C(O)=O\n\n\n","OC(=O)C1=C(CC=CC1)C(=O)O","O=C(O)C1=C(C(=O)O)CC=CC1","",1,"1,4-Cyclohexadiene-1,2-dicarboxylic acid(1)","610-13-9(1)","2407","Medium Reliability","-"]
[3978,"COC(=O)c1cc(O)c(O)c(O)c1\n\n\n","COC(=O)c1cc(O)c(c(c1)O)O","O=C(OC)c1cc(O)c(O)c(O)c1","",1,"METHYL GALLATE(1)","99-24-1(1)","842","High Reliability","-"]
[3979,"CCc1ccccc1Br\n\n\n","CCc1ccccc1Br","c1ccc(c(c1)CC)Br","",1,"1-Bromo-2-ethylbenzene(1)","1973-22-4(1)","3055","High Reliability","-"]
[3980,"BrCCc1ccccc1\n\n\n","BrCCc1ccccc1","c1ccc(cc1)CCBr","",1,"(2-BROMOETHYL)BENZENE(1)","103-63-9(1)","933","High Reliability","-"]
[3981,"COP(=S)(OC)Oc1ccc(c(Cl)c1)[N+]([O-])=O\n\n\n","COP(=S)(Oc1ccc(c(c1)Cl)[N+](=O)[O-])OC","O=[N+]([O-])c1ccc(OP(OC)(OC)=S)cc1Cl","",1,"3-CHLORO-DIMETHYL PARATHION(1)","500-28-7(1)","1911","Medium Reliability","-"]
[3982,"COP(=S)(OC)Oc1ccc(cc1Cl)[N+]([O-])=O\n\n\n","COP(=S)(Oc1ccc(cc1Cl)[N+](=O)[O-])OC","O=[N+]([O-])c1ccc(OP(OC)(OC)=S)c(c1)Cl","",1,"DICAPTHON(1)","2463-84-5(1)","3215","High Reliability","-"]
[3983,"Cc1cc(O)cc(C)c1Cl\n\n\n","Oc1cc(C)c(c(c1)C)Cl","Oc1cc(c(c(c1)C)Cl)C","",1,"4-CHLORO-3,5-DIMETHYL PHENOL(1)","88-04-0(1)","606","High Reliability","-"]
[3984,"Cc1cc(Cl)cc(C)c1O\n\n\n","Clc1cc(C)c(c(c1)C)O","Oc1c(cc(cc1C)Cl)C","",1,"Phenol, 4-chloro-2,6-dimethyl-(1)","1123-63-3(1)","2842","High Reliability","-"]
[3985,"C1Cc2ccccc2N1\n\n\n","c1ccc2c(c1)NCC2","c1ccc2c(c1)NCC2","",1,"1H-Indole, 2,3-dihydro-(1)","496-15-1(1)","1893","High Reliability","-"]
[3986,"CN(C)c1ncc2nccnc2n1\n\n\n","CN(c1ncc2c(n1)nccn2)C","n1ccnc2cnc(nc12)N(C)C","",1,"2-Pteridinamine, N,N-dimethyl-(1)","41047-52-3(1)","4735","Medium Reliability","-"]
[3987,"CN(C)c1ncnc2c1nccn2\nCN(C)c1ncnc2nccnc12\n\n","CN(c1ncnc2c1nccn2)C","n1cnc(c2nccnc12)N(C)C","",1,"4-Pteridinamine, N,N-dimethyl-(1)","14131-04-5(1)","4009","Medium Reliability","-"]
[3988,"CC(=O)c1ccc(N)cc1\n\n\n","CC(=O)c1ccc(cc1)N","O=C(c1ccc(N)cc1)C","",1,"4-AMINOACETOPHENONE(1)","99-92-3(1)","860","High Reliability","-"]
[3989,"CC(=O)Nc1ccccc1\n\n\n","CC(=O)Nc1ccccc1","O=C(Nc1ccccc1)C","",1,"ACETANILIDE(1)","103-84-4(1)","942","High Reliability","-"]
[3990,"COc1ccccc1C(N)=O\n\n\n","COc1ccccc1C(=O)N","O=C(N)c1ccccc1(OC)","",1,"O-METHOXYBENZAMIDE(1)","2439-77-2(1)","3210","High Reliability","-"]
[3991,"COC(=O)c1ccc(N)cc1\n\n\n","COC(=O)c1ccc(cc1)N","O=C(OC)c1ccc(N)cc1","",1,"METHYL P-AMINOBENZOATE(1)","619-45-4(1)","2471","High Reliability","-"]
[3992,"COC(=O)c1c(N)cccc1\nCOC(=O)c1ccccc1N\n\n","COC(=O)c1ccccc1N","O=C(OC)c1ccccc1(N)","",1,"METHYL ANTHRANILATE(1)","134-20-3(1)","1519","High Reliability","-"]
[3993,"CCc1ccccc1[N+]([O-])=O\n\n\n","CCc1ccccc1[N+](=O)[O-]","O=[N+]([O-])c1ccccc1CC","",1,"2-ETHYLNITROBENZENE(1)","612-22-6(1)","2420","High Reliability","-"]
[3994,"CC(=O)Nc1ccc(O)cc1\n\n\n","CC(=O)Nc1ccc(cc1)O","O=C(Nc1ccc(O)cc1)C","",1,"ACETAMIDE, N-(4-HYDROXYPHENYL)(1)","103-90-2(1)","945","High Reliability","-"]
[3995,"CC(=O)Nc1c(O)cccc1\n\n\n","CC(=O)Nc1ccccc1O","O=C(Nc1ccccc1(O))C","",1,"O-HYDROXYACETANILIDE(1)","614-80-2(1)","2430","High Reliability","-"]
[3996,"CNc1c(cccc1)C(O)=O\nCNc1ccccc1C(O)=O\n\n","CNc1ccccc1C(=O)O","O=C(O)c1ccccc1(NC)","",1,"Benzoic acid, 2-(methylamino)-(1)","119-68-6(1)","1345","High Reliability","-"]
[3997,"NC(C(O)=O)c1ccccc1\n\n\n","NC(c1ccccc1)C(=O)O","O=C(O)C(N)c1ccccc1","",1,"BENZENEACETIC ACID, .ALPHA.-AMINO-, (.+-.)-(1)","2835-06-5(1)","3292","High Reliability","-"]
[3998,"NC(=O)OCc1ccccc1\n\n\n","NC(=O)OCc1ccccc1","O=C(OCc1ccccc1)N","",1,"O-BENZYL CARBAMATE(1)","621-84-1(1)","2484","Medium Reliability","-"]
[3999,"COc1c(O)ccc(C=O)c1N\nCOc1c(N)c(C=O)ccc1O\n\n","COc1c(O)ccc(c1N)C=O","O=Cc1ccc(O)c(OC)c1(N)","",1,"Benzaldehyde, 2-amino-4-hydroxy-3-methoxy-(1)","89984-23-6(1)","5346","High Reliability","-"]
[4000,"Cl.Cc1c(O)c(C=O)c(CO)cn1\n[H+].[Cl-].Cc1ncc(CO)c(C=O)c1O\nCc1c(O)c(C=O)c(CO)cn1\nCc1ncc(CO)c(C=O)c1O","O=Cc1c(CO)cnc(c1O)C","O=Cc1c(O)c(ncc1CO)C","",2,"PYRIDOXAL HYDROCHLORIDE(1), PYRIDOXAL(1)","65-22-5(1), 66-72-8(1)","234, 245","High Reliability","Differences in counterions"]
[4001,"COc1cc(c(OC)cc1)[N+]([O-])=O\n\n\n","COc1ccc(c(c1)[N+](=O)[O-])OC","O=[N+]([O-])c1cc(OC)ccc1(OC)","",1,"Benzene, 1,4-dimethoxy-2-nitro-(1)","89-39-4(1)","630","High Reliability","-"]
[4002,"OCCc1cc(c(O)cc1)N(=O)=O\nOCCc1ccc(O)c(c1)[N+]([O-])=O\n\n","OCCc1ccc(c(c1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(ccc1(O))CCO","",1,"Benzeneethanol, 4-hydroxy-3-nitro-(1)","118172-64-8(1)","5618","Medium Reliability","-"]
[4003,"COP1(=S)OCc2ccccc2O1\n\n\n","COP1(=S)OCc2c(O1)cccc2","O2c1ccccc1COP2(OC)=S","",1,"SALITHION(1)","3811-49-2(1)","3435","High Reliability","-"]
[4004,"C1Cc2ccccc2C1\n\n\n","C1Cc2c(C1)cccc2","c1ccc2c(c1)CCC2","",1,"INDANE(1)","496-11-7(1)","1892","High Reliability","-"]
[4005,"Cc1cc(C=C)ccc1\nCc1cccc(C=C)c1\n\n","C=Cc1cccc(c1)C","C=Cc1cccc(c1)C","",1,"M-METHYLSTYRENE(1)","100-80-1(1)","899","High Reliability","-"]
[4006,"Cc1ccc(C=C)cc1\n\n\n","C=Cc1ccc(cc1)C","C=Cc1ccc(cc1)C","",1,"P-METHYLSTYRENE(1)","622-97-9(1)","2490","High Reliability","-"]
[4007,"CC(=C)c1ccccc1\n\n\n","CC(=C)c1ccccc1","C=C(c1ccccc1)C","",1,"ALPHA-METHYLSTYRENE(1)","98-83-9(1)","825","High Reliability","-"]
[4008,"CON(C)C(=O)Nc1cc(Cl)c(Br)cc1\n\n\n","CON(C(=O)Nc1ccc(c(c1)Cl)Br)C","O=C(Nc1ccc(c(c1)Cl)Br)N(OC)C","",1,"CHLORBROMURON(1)","13360-45-7(1)","3970","High Reliability","-"]
[4009,"CC(=O)Nc1c(C)cc(Br)cc1\n\n\n","CC(=O)Nc1ccc(cc1C)Br","O=C(Nc1ccc(cc1C)Br)C","",1,"2-methyl-4-bromoacetanilide(1)","24106-05-6(1)","4357","Medium Reliability","Name verified in PubChem"]
[4010,"CN(C)C(=O)Nc1cc(Cl)c(Cl)cc1\nCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1\n\n","O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl","O=C(Nc1ccc(c(c1)Cl)Cl)N(C)C","",1,"DIURON(1)","330-54-1(1)","1739","High Reliability","-"]
[4011,"CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1\n\n\n","CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C","O=C(Nc1ccc(c(c1)Cl)Cl)N(OC)C","",1,"LINURON(1)","330-55-2(1)","1740","High Reliability","-"]
[4012,"[O-][N+](=O)N=C1NCCN1Cc2cnc(Cl)cc2\n[O-][N+](=O)NC1=NCCN1Cc2ccc(Cl)nc2\n\n","[O-][N+](=O)N=C1NCCN1Cc1ccc(nc1)Cl","O=[N+]([O-])N=C1NCCN1Cc2cnc(cc2)Cl","",1,"IMIDACLOPRID(1)","138261-41-3(1)","5708","High Reliability","Stereochemistry removed"]
[4013,"CC(=O)Nc1c(C)cc(Cl)cc1\n\n\n","CC(=O)Nc1ccc(cc1C)Cl","O=C(Nc1ccc(cc1C)Cl)C","",1,"Acetamide, N-(4-chloro-2-methylphenyl)-(1)","5202-86-8(1)","3574","High Reliability","-"]
[4014,"CC(Nc1ccccc1Cl)C(O)=O\n\n\n","OC(=O)C(Nc1ccccc1Cl)C","O=C(O)C(Nc1ccccc1Cl)C","",1,"DL-Alanine, N-(2-chlorophenyl)-(1)","35224-54-5(1)","4608","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[4015,"CC(=O)Nc1c(F)cc(C)cc1\n\n\n","CC(=O)Nc1ccc(cc1F)C","O=C(Nc1ccc(cc1(F))C)C","",1,"Acetamide, N-(2-fluoro-4-methylphenyl)-(1)","326-67-0(1)","1731","Medium Reliability","-"]
[4016,"CC(=O)Nc1c(C)cc(F)cc1\n\n\n","CC(=O)Nc1ccc(cc1C)F","O=C(Nc1ccc(F)cc1C)C","",1,"Acetamide, N-(4-fluoro-2-methylphenyl)-(1)","326-65-8(1)","1730","Medium Reliability","-"]
[4017,"CC(=O)c1cc(NC(N)=O)ccc1\nCC(=O)c1cccc(NC(N)=O)c1\n\n","NC(=O)Nc1cccc(c1)C(=O)C","O=C(N)Nc1cccc(c1)C(=O)C","",1,"Urea, (3-acetylphenyl)-(1)","42865-71-4(1)","4767","Medium Reliability","-"]
[4018,"CCOc1ccc2nc(sc2c1)S(N)(=O)=O\n\n\n","CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N","O=S(=O)(N)c2nc1ccc(OCC)cc1s2","",1,"ETHOXYZOLAMIDE(1)","452-35-7(1)","1794","High Reliability","-"]
[4019,"Cc1ncc2nc(C)c(C)nc2n1\n\n\n","Cc1ncc2c(n1)nc(c(n2)C)C","n1cc2nc(c(nc2(nc1C))C)C","",1,"Pteridine, 2,6,7-trimethyl-(1)","23767-00-2(1)","4349","Medium Reliability","-"]
[4020,"Cn1c(=O)nc(O)c2c1nc(C)c(C)n2\nCn1c(=O)[nH]c(=O)c2nc(C)c(C)nc12\n\n","Cc1nc2c(O)nc(=O)n(c2nc1C)C","O=C2N=C(O)c1nc(c(nc1N2C)C)C","",1,"2,4(1H,3H)-Pteridinedione, 1,6,7-trimethyl-(1)","50256-21-8(1)","4779","Medium Reliability","-"]
[4021,"Nc1ccc(cc1)S(=O)(=O)Nc2ncc[nH]2\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1ncc[nH]1","O=S(=O)(Nc1ncc[nH]1)c2ccc(N)cc2","",1,"Benzenesulfonamide, 4-amino-N-1H-imidazol-2-yl-(1)","17103-46-7(1)","4137","Medium Reliability","-"]
[4022,"Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C","O=S(=O)(Nc1nnc(C)s1)c2ccc(N)cc2","",1,"SULFAMETHIAZOLE(1)","144-82-1(1)","1604","High Reliability","-"]
[4023,"COP(=S)(OC)Oc1ccc(cc1)C#N\n\n\n","COP(=S)(Oc1ccc(cc1)C#N)OC","N#Cc1ccc(OP(OC)(OC)=S)cc1","",1,"CYANOPHOS(1)","2636-26-2(1)","3265","High Reliability","-"]
[4024,"CCC(=O)c1ccccc1\n\n\n","CCC(=O)c1ccccc1","O=C(c1ccccc1)CC","",1,"PROPIOPHENONE(1)","93-55-0(1)","704","High Reliability","-"]
[4025,"CC(=O)c1ccc(C)cc1\n\n\n","Cc1ccc(cc1)C(=O)C","O=C(c1ccc(cc1)C)C","",1,"P-METHYLACETOPHENONE(1)","122-00-9(1)","1385","High Reliability","-"]
[4026,"Oc1cc2c(CCC2)cc1\n\n\n","Oc1ccc2c(c1)CCC2","Oc1ccc2c(c1)CCC2","",1,"5-INDANOL(1)","1470-94-6(1)","2912","High Reliability","-"]
[4027,"COCC(=O)c1ccccc1\n\n\n","COCC(=O)c1ccccc1","O=C(c1ccccc1)COC","",1,"Ethanone, 2-methoxy-1-phenyl-(1)","4079-52-1(1)","3456","High Reliability","-"]
[4028,"CCOC(=O)c1ccccc1\n\n\n","CCOC(=O)c1ccccc1","O=C(OCC)c1ccccc1","",1,"ETHYL BENZOATE(1)","93-89-0(1)","713","High Reliability","-"]
[4029,"CCOc1c(C=O)cccc1\nCCOc1ccccc1C=O\n\n","CCOc1ccccc1C=O","O=Cc1ccccc1(OCC)","",1,"Benzaldehyde, 2-ethoxy-(1)","613-69-4(1)","2425","High Reliability","-"]
[4030,"Oc1c(O)cc(CC=C)cc1\nCC=Cc1cc(O)c(O)cc1\n\n","C=CCc1ccc(c(c1)O)O","Oc1ccc(cc1(O))CC=C","",2,"1,2-Benzenediol, 4-(2-propenyl)-(1), 1,2-Benzenediol, 4-(1-propenyl)-(1)","1126-61-0(1), 72898-29-4(1)","2846, 5179","Medium Reliability","Checked on PubChem"]
[4031,"C(Oc1ccccc1)C2CO2\n\n\n","O1CC1COc1ccccc1","O(c1ccccc1)CC2OC2","",1,"PHENYL GLYDIDYL ETHER(1)","122-60-1(1)","1394","Medium Reliability","-"]
[4032,"CCC(=O)c1ccc(O)cc1\n\n\n","CCC(=O)c1ccc(cc1)O","O=C(c1ccc(O)cc1)CC","",1,"P-HYDROXYPROPIOPHENONE(1)","70-70-2(1)","280","High Reliability","-"]
[4033,"Cc1c(C)cc(cc1)C(O)=O\nCc1ccc(cc1C)C([O-])=O\n\n","OC(=O)c1ccc(c(c1)C)C","O=C(O)c1ccc(c(c1)C)C","",1,"3,4-Dimethylbenzoic acid(1)","619-04-5(1)","2469","High Reliability","-"]
[4034,"CC(=O)OCc1ccccc1\n\n\n","CC(=O)OCc1ccccc1","O=C(OCc1ccccc1)C","",1,"BENZYL ACETATE(1)","140-11-4(1)","1553","High Reliability","-"]
[4035,"OC(=O)CCc1ccccc1\n\n\n","OC(=O)CCc1ccccc1","O=C(O)CCc1ccccc1","",1,"BETA-PHENYLPROPIONIC ACID(1)","501-52-0(1)","1915","High Reliability","-"]
[4036,"COc1ccc(OC)c(C=O)c1\n\n\n","COc1ccc(c(c1)C=O)OC","O=Cc1cc(OC)ccc1(OC)","",1,"Benzaldehyde, 2,5-dimethoxy-(1)","93-02-7(1)","696","High Reliability","-"]
[4037,"COc1ccc(C=O)cc1OC\n\n\n","COc1cc(C=O)ccc1OC","O=Cc1ccc(OC)c(OC)c1","",1,"BENZALDEHYDE, 3,4-DIMETHOXY-(1)","120-14-9(1)","1352","High Reliability","-"]
[4038,"COC(=O)c1ccc(OC)cc1\n\n\n","COc1ccc(cc1)C(=O)OC","O=C(OC)c1ccc(OC)cc1","",1,"P-ANISIC ACID, METHYL ESTER(1)","121-98-2(1)","1384","High Reliability","-"]
[4039,"CCOC(=O)c1ccc(O)cc1\n\n\n","CCOC(=O)c1ccc(cc1)O","O=C(OCC)c1ccc(O)cc1","",1,"P-HYDROXYBENZOIC ACID,ETHYL ESTER(1)","120-47-8(1)","1357","Medium Reliability","-"]
[4040,"CCOc1c(O)ccc(C=O)c1\nCCOc1cc(C=O)ccc1O\n\n","CCOc1cc(C=O)ccc1O","O=Cc1ccc(O)c(OCC)c1","",1,"BENZALDEHYDE, 3-ETHOXY-4-HYDROXY-(1)","121-32-4(1)","1371","High Reliability","-"]
[4041,"COc1cc(ccc1O)C(C)=O\n\n\n","COc1cc(ccc1O)C(=O)C","O=C(c1ccc(O)c(OC)c1)C","",1,"Ethanone, 1-(4-hydroxy-3-methoxyphenyl)-(1)","498-02-2(1)","1899","High Reliability","-"]
[4042,"COc1c(O)cc(C)c(C=O)c1\nCOc1cc(C=O)c(C)cc1O\n\n","COc1cc(C=O)c(cc1O)C","O=Cc1cc(OC)c(O)cc1C","",1,"Benzaldehyde, 4-hydroxy-5-methoxy-2-methyl-(1)","42044-81-5(1)","4756","Medium Reliability","-"]
[4043,"COc1c(O)ccc(C=O)c1C\nCOc1c(C)c(C=O)ccc1O\n\n","COc1c(O)ccc(c1C)C=O","O=Cc1ccc(O)c(OC)c1C","",1,"Benzaldehyde, 4-hydroxy-3-methoxy-2-methyl-(1)","18102-32-4(1)","4179","Medium Reliability","-"]
[4044,"Cc1ccc(OCC(O)=O)cc1\n\n\n","OC(=O)COc1ccc(cc1)C","O=C(O)COc1ccc(cc1)C","",1,"P-METHYLPHENOXYACETIC ACID(1)","940-64-7(1)","2764","High Reliability","-"]
[4045,"Cc1c(OCC(O)=O)cccc1\nCOC(=O)COc1ccccc1\n\n","OC(=O)COc1ccccc1C","O=C(O)COc1ccccc1C","",1,"o-methylphenoxyaceticacid(1)","1878-49-5(1)","3009","High Reliability","Name verified in PubChem"]
[4046,"OCC(C(O)=O)c1ccccc1\n\n\n","OCC(c1ccccc1)C(=O)O","O=C(O)C(c1ccccc1)CO","",2,"BENZENEACETIC ACID, .alpha.-(HYDROXYMETHYL)-,(1), TROPIC ACID(1)","552-63-6(1), 529-64-6(1)","2132, 2012","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID"]
[4047,"COCOC(=O)c1ccccc1O\n\n\n","COCOC(=O)c1ccccc1O","O=C(OCOC)c1ccccc1(O)","",1,"Benzoic acid, 2-hydroxy-, methoxymethyl ester(1)","575-82-6(1)","2209","High Reliability","-"]
[4048,"COc1ccc(cc1OC)C(O)=O\n\n\n","COc1cc(ccc1OC)C(=O)O","O=C(O)c1ccc(OC)c(OC)c1","",1,"3,4-DIMETHOXYBENZOIC ACID(1)","93-07-2(1)","697","High Reliability","-"]
[4049,"OCCOC(=O)c1ccccc1O\n\n\n","OCCOC(=O)c1ccccc1O","O=C(OCCO)c1ccccc1(O)","",1,"Benzoic acid, 2-hydroxy-, 2-hydroxyethyl ester(1)","87-28-5(1)","584","High Reliability","-"]
[4050,"OC(C(O)c1ccccc1)C(O)=O\n\n\n","OC(C(C(=O)O)O)c1ccccc1","O=C(O)C(O)C(O)c1ccccc1","",1,"Benzenepropanoic acid, .alpha.,.beta.-dihydroxy-(1)","5695-95-4(1)","3655","Medium Reliability","-"]
[4051,"COC(=O)CS(=O)(=O)c1ccccc1\n\n\n","COC(=O)CS(=O)(=O)c1ccccc1","O=C(OC)CS(=O)(=O)c1ccccc1","",1,"Methyl phenylsulfonyl acetate(1)","34097-60-4(1)","4577","Medium Reliability","Checked on PubChem, Checked on ChemID"]
[4052,"CC(C)c1ccccc1Br\n\n\n","CC(c1ccccc1Br)C","c1ccc(c(c1)C(C)C)Br","",1,"BENZENE, 1-BROMO-2-(1-METHYLETHYL)-(1)","7073-94-1(1)","3813","High Reliability","-"]
[4053,"CON(C)C(=O)Nc1ccc(Br)cc1\n\n\n","CON(C(=O)Nc1ccc(cc1)Br)C","O=C(Nc1ccc(cc1)Br)N(OC)C","",1,"METOBROMURON(1)","3060-89-7(1)","3321","High Reliability","-"]
[4054,"CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1\n\n\n","CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C","O=S(=O)(N(c1ccccc1)SC(F)(Cl)Cl)N(C)C","",1,"DICHLOFLUANID(1)","1085-98-9(1)","2822","High Reliability","-"]
[4055,"COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl\n\n\n","COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC","O(c1c(cc(cc1Cl)C)Cl)P(OC)(OC)=S","",1,"TOLCLOFOS-METHYL(1)","57018-04-9(1)","4938","High Reliability","-"]
[4056,"CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl\n\n\n","CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC","n1c(OP(OCC)(OCC)=S)c(cc(c1Cl)Cl)Cl","",1,"CHLORPYRIFOS(1)","2921-88-2(1)","3298","Medium Reliability","-"]
[4057,"CN(C)C(=O)Nc1ccc(Cl)cc1\n\n\n","CN(C(=O)Nc1ccc(cc1)Cl)C","O=C(Nc1ccc(cc1)Cl)N(C)C","",1,"MONURON(1)","150-68-5(1)","1626","High Reliability","-"]
[4058,"CON(C)C(=O)Nc1ccc(Cl)cc1\n\n\n","CON(C(=O)Nc1ccc(cc1)Cl)C","O=C(Nc1ccc(cc1)Cl)N(OC)C","",1,"MONOLINURON(1)","1746-81-2(1)","2979","High Reliability","-"]
[4059,"OCC(O)COc1ccc(Cl)cc1\n\n\n","OCC(COc1ccc(cc1)Cl)O","OCC(O)COc1ccc(cc1)Cl","",1,"Chlorphenesin(1)","104-29-0(1)","951","High Reliability","-"]
[4060,"CCCc1cc(F)ccc1O\n\n\n","CCCc1cc(F)ccc1O","Fc1ccc(O)c(c1)CCC","",1,"4-Fluoro-2-propyl-phenol(1)","398-88-9(1)","1772","Medium Reliability","-"]
[4061,"OCC1OC(CC1O)n2cc(I)c(=O)[nH]c2=O\n\n\n","OCC1OC(CC1O)n1cc(I)c(=O)[nH]c1=O","O=C1NC(=O)N(C=C1I)C2OC(CO)C(O)C2","",1,"URIDINE, 2'-DEOXY-5-IODO-(1)","54-42-2(1)","78","High Reliability","Stereochemistry removed"]
[4062,"CCC(=O)c1ccc(N)cc1\n\n\n","CCC(=O)c1ccc(cc1)N","O=C(c1ccc(N)cc1)CC","",1,"1-Propanone, 1-(4-aminophenyl)-(1)","70-69-9(1)","279","High Reliability","-"]
[4063,"CC(=O)Nc1ccc(C)cc1\n\n\n","CC(=O)Nc1ccc(cc1)C","O=C(Nc1ccc(cc1)C)C","",1,"4-METHYLACETANILIDE(1)","103-89-9(1)","944","High Reliability","-"]
[4064,"CC(=O)Nc1cccc(C)c1\n\n\n","CC(=O)Nc1cccc(c1)C","O=C(Nc1cccc(c1)C)C","",1,"3-METHYLACETANILIDE(1)","537-92-8(1)","2049","High Reliability","-"]
[4065,"CN(C(C)=O)c1ccccc1\n\n\n","CN(c1ccccc1)C(=O)C","O=C(N(c1ccccc1)C)C","",1,"N-METHYLACETANILIDE(1)","579-10-2(1)","2219","High Reliability","-"]
[4066,"CN(C)c1ccc(cc1)C(O)=O\n\n\n","CN(c1ccc(cc1)C(=O)O)C","O=C(O)c1ccc(cc1)N(C)C","",1,"4-DIMETHYLAMINO BENZOIC ACID(1)","619-84-1(1)","2476","Medium Reliability","-"]
[4067,"CCOC(=O)c1ccc(N)cc1\n\n\n","CCOC(=O)c1ccc(cc1)N","O=C(OCC)c1ccc(N)cc1","",1,"P-AMINOBENZOIC ACID, ETHYL ESTER(1)","94-09-7(1)","716","High Reliability","-"]
[4068,"CS(O)(=O)=O.CCOC(=O)c1cc(N)ccc1\n\n\n","CCOC(=O)c1cccc(c1)N","O=C(OCC)c1cccc(N)c1","",1,"Tricaine(1)","886-86-2(1)","2733","Medium Reliability","-"]
[4069,"COc1ccc(NC(C)=O)cc1\n\n\n","COc1ccc(cc1)NC(=O)C","O=C(Nc1ccc(OC)cc1)C","",1,"P-METHOXYACETANILIDE(1)","51-66-1(1)","51","High Reliability","-"]
[4070,"NC(Cc1ccccc1)C(O)=O\n\n\n","NC(C(=O)O)Cc1ccccc1","O=C(O)C(N)Cc1ccccc1","",3,"PHENYLALANINE(1), DL-PHENYLALANINE(1), D-Phenylalanine(1)","63-91-2(1), 150-30-1(1), 673-06-3(1)","222, 1625, 2624","High Reliability","Stereochemistry removed"]
[4071,"NC(Cc1ccccc1O)C(O)=O\n\n\n","OC(=O)C(Cc1ccccc1O)N","O=C(O)C(N)Cc1ccccc1(O)","",1,"Phenylalanine, 2-hydroxy-(1)","709-16-0(1)","2652","Medium Reliability","Checked on PubChem, Stereochemistry removed"]
[4072,"NC(Cc1ccc(O)cc1)C(O)=O\n\n\n","OC(=O)C(Cc1ccc(cc1)O)N","O=C(O)C(N)Cc1ccc(O)cc1","",3,"TYROSINE(1), D-Tyrosine(1), DL-TYROSINE(1)","60-18-4(1), 556-02-5(1), 556-03-6(1)","183, 2153, 2154","Medium Reliability, High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[4073,"CCOC(=O)CNC(=O)c1ccco1\n\n\n","CCOC(=O)CNC(=O)c1ccco1","O=C(OCC)CNC(=O)c1occc1","",1,"Glycine, N-(2-furanylcarbonyl)-, ethyl ester(1)","66318-15-8(1)","5062","Medium Reliability","-"]
[4074,"NC(Cc1cc(O)c(O)cc1)C(O)=O\nNC(Cc1ccc(O)c(O)c1)C(O)=O\n\n","OC(=O)C(Cc1ccc(c(c1)O)O)N","O=C(O)C(N)Cc1ccc(O)c(O)c1","",2,"DOPA(1), TYROSINE, 3-HYDROXY-(1)","59-92-7(1), 5796-17-8(1)","177, 3663","High Reliability","Stereochemistry removed"]
[4075,"OCCNC(=O)c1c(O)ccc(O)c1\nOCCNC(=O)c1cc(O)ccc1O\n\n","OCCNC(=O)c1cc(O)ccc1O","O=C(NCCO)c1cc(O)ccc1(O)","",1,"Benzamide, 2,5-dihydroxy-N-(2-hydroxyethyl)-(1)","61969-53-7(1)","5011","High Reliability","-"]
[4076,"Cc1ccc(cc1)S(=O)(=O)NCC(O)=O\n\n\n","OC(=O)CNS(=O)(=O)c1ccc(cc1)C","O=C(O)CNS(=O)(=O)c1ccc(cc1)C","",1,"Glycine, N-[(4-methylphenyl)sulfonyl]-(1)","1080-44-0(1)","2819","High Reliability","-"]
[4077,"CN=C(O)Sc1ccc(OS(C)(=O)=O)cc1\nCNC(=O)Sc1ccc(OS(C)(=O)=O)cc1\n\n","CN=C(Sc1ccc(cc1)OS(=O)(=O)C)O","O=S(=O)(Oc1ccc(cc1)SC(O)=NC)C","",1,"Methasulfocarb(1)","66952-49-6(1)","5071","High Reliability","-"]
[4078,"CCCc1ccccc1\n\n\n","CCCc1ccccc1","c1ccc(cc1)CCC","",1,"N-PROPYLBENZENE(1)","103-65-1(1)","934","High Reliability","-"]
[4079,"CC=C1CC2CC1C=C2\n\n\n","CC=C1CC2CC1C=C2","C(=C1CC2C=CC1C2)C","",1,"ETHYLIDENE NORBORNENE(1)","16219-75-3(1)","4098","High Reliability","Stereochemistry removed"]
[4080,"C#CCCCCCC#C\n\n\n","C#CCCCCCC#C","C#CCCCCCC#C","",1,"1,8-NONADIYNE(1)","2396-65-8(1)","3191","High Reliability","-"]
[4081,"CCc1ccc(C)cc1\n\n\n","CCc1ccc(cc1)C","c1cc(ccc1C)CC","",1,"P-ETHYLTOLUENE(1)","622-96-8(1)","2489","High Reliability","-"]
[4082,"CCc1ccccc1C\n\n\n","CCc1ccccc1C","c1ccc(c(c1)C)CC","",1,"1-ETHYL-2-METHYLBENZENE(1)","611-14-3(1)","2412","High Reliability","-"]
[4083,"Cc1cc(C)c(C)cc1\n\n\n","Cc1ccc(c(c1)C)C","c1cc(c(cc1C)C)C","",1,"1,2,4-TRIMETHYLBENZENE(1)","95-63-6(1)","752","High Reliability","-"]
[4084,"Cc1cc(C)cc(C)c1\n\n\n","Cc1cc(C)cc(c1)C","c1c(cc(cc1C)C)C","",1,"1,3,5-TRIMETHYLBENZENE(1)","108-67-8(1)","1095","High Reliability","-"]
[4085,"Cc1cccc(C)c1C\n\n\n","Cc1c(C)cccc1C","c1cc(c(c(c1)C)C)C","",1,"1,2,3-TRIMETHYLBENZENE(1)","526-73-8(1)","1991","High Reliability","-"]
[4086,"CC(C)c1ccccc1\n\n\n","CC(c1ccccc1)C","c1ccc(cc1)C(C)C","",1,"CUMENE(1)","98-82-8(1)","824","High Reliability","-"]
[4087,"COP(=S)(OC)SCSc1ccc(Cl)cc1\n\n\n","COP(=S)(SCSc1ccc(cc1)Cl)OC","O(C)P(OC)(=S)SCSc1ccc(cc1)Cl","",1,"CARBOPHENOTHION-METHYL(1)","953-17-3(1)","2774","Medium Reliability","-"]
[4088,"COP(=O)(OC)OC1=C(Cl)C2C=CCC12\n\n\n","COP(=O)(OC1=C(Cl)C2C1CC=C2)OC","O=P(OC1=C(C2C=CCC12)Cl)(OC)OC","",1,"Heptenophos(1)","23560-59-0(1)","4343","High Reliability","-"]
[4089,"CN(C)C(=O)Nc1ccccc1\n\n\n","CN(C(=O)Nc1ccccc1)C","O=C(Nc1ccccc1)N(C)C","",1,"FENURON(1)","101-42-8(1)","909","High Reliability","-"]
[4090,"CN(C(N)=O)c1ccc(C)cc1\n\n\n","CN(c1ccc(cc1)C)C(=O)N","O=C(N)N(c1ccc(cc1)C)C","",1,"Urea, 1-methyl-1-p-tolyl-(1)","6305-07-3(1)","3734","Medium Reliability","-"]
[4091,"CN(C(N)=O)c1ccccc1C\n\n\n","NC(=O)N(c1ccccc1C)C","O=C(N)N(c1ccccc1C)C","",1,"Urea, 1-methyl-1-o-tolyl-(1)","20632-28-4(1)","4263","Medium Reliability","-"]
[4092,"CCOc1ccc(NC(N)=O)cc1\n\n\n","CCOc1ccc(cc1)NC(=O)N","O=C(N)Nc1ccc(OCC)cc1","",1,"Dulcin(1)","150-69-6(1)","1627","High Reliability","-"]
[4093,"CCCOc1c(N)cc(cc1)[N+]([O-])=O\nCCCOc1ccc(cc1N)[N+]([O-])=O\n\n","CCCOc1ccc(cc1N)[N+](=O)[O-]","O=[N+]([O-])c1ccc(OCCC)c(N)c1","",1,"5-Nitro-2-propoxyaniline(1)","553-79-7(1)","2137","High Reliability","-"]
[4094,"CCC1(CC=C)C(=O)NC(=O)NC1=O\n\n\n","C=CCC1(CC)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC=C)CC","",1,"5-ALLYL-5-ETHYL BARBITURIC ACID(1)","2373-84-4(1)","3181","Medium Reliability","-"]
[4095,"CCC1(CC(C)=O)C(O)=NC(=O)N=C1O\nCCC1(CC(C)=O)C(=O)NC(=O)NC1=O\n\n","CCC1(CC(=O)C)C(=NC(=O)N=C1O)O","O=C1N=C(O)C(C(O)=N1)(CC(=O)C)CC","",1,"Barbituric acid, 5-acetonyl-5-ethyl-(1)","90438-06-5(1)","5353","Medium Reliability","-"]
[4096,"COP(=S)(OC)Oc1ccc(c(C)c1)[N+]([O-])=O\n\n\n","COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC","O=[N+]([O-])c1ccc(OP(OC)(OC)=S)cc1C","",1,"FENITROTHION(1)","122-14-5(1)","1387","High Reliability","-"]
[4097,"CCCc1ccc(O)cc1\n\n\n","CCCc1ccc(cc1)O","Oc1ccc(cc1)CCC","",1,"4-PROPYLPHENOL(1)","645-56-7(1)","2613","High Reliability","-"]
[4098,"CCc1cc(O)cc(C)c1\n\n\n","CCc1cc(C)cc(c1)O","Oc1cc(cc(c1)CC)C","",1,"3-ETHYL-5-METHYLPHENOL(1)","698-71-5(1)","2645","High Reliability","-"]
[4099,"Cc1ccc(C)c(O)c1C\n\n\n","Cc1ccc(c(c1O)C)C","Oc1c(ccc(c1C)C)C","",1,"2,3,6-TRIMETHYLPHENOL(1)","2416-94-6(1)","3195","High Reliability","-"]
[4100,"Cc1cc(O)c(C)c(C)c1\n\n\n","Cc1cc(C)c(c(c1)O)C","Oc1cc(cc(c1C)C)C","",1,"2,3,5-TRIMETHYLPHENOL(1)","697-82-5(1)","2644","High Reliability","-"]
[4101,"Cc1cc(C)c(O)c(C)c1\n\n\n","Cc1cc(C)c(c(c1)C)O","Oc1c(cc(cc1C)C)C","",1,"2,4,6-TRIMETHYLPHENOL(1)","527-60-6(1)","2000","High Reliability","-"]
[4102,"OCCCc1ccccc1\n\n\n","OCCCc1ccccc1","OCCCc1ccccc1","",1,"3-PHENYLPROPANOL(1)","122-97-4(1)","1398","High Reliability","-"]
[4103,"CC(O)COc1ccccc1\n\n\n","CC(COc1ccccc1)O","OC(C)COc1ccccc1","",1,"1-PHENOXY-2-PROPANOL(1)","770-35-4(1)","2685","High Reliability","-"]
[4104,"CC(C)(OO)c1ccccc1\nCC(C)c1ccccc1.O[O-]\n\n","OOC(c1ccccc1)(C)C","OOC(c1ccccc1)(C)C","",1,"cumenehydroperoxide(1)","80-15-9(1)","487","High Reliability","Name verified in PubChem"]
[4105,"OCCOCc1ccccc1\n\n\n","OCCOCc1ccccc1","OCCOCc1ccccc1","",1,"ETHYLENE GLYCOL MONOBENZYL ETHER(1)","622-08-2(1)","2485","High Reliability","-"]
[4106,"CC1(CCCC=C1C(O)=O)C(O)=O\n\n\n","OC(=O)C1=CCCCC1(C)C(=O)O","O=C(O)C1=CCCCC1(C(=O)O)C","",1,"2-Cyclohexene-1,2-dicarboxylic acid, 1-methyl-(1)","6321-87-5(1)","3742","High Reliability","-"]
[4107,"CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O\n\n\n","CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C","O=C1NC(=C(C(=O)N1C(C)CC)Br)C","",1,"BROMACIL(1)","314-40-9(1)","1720","High Reliability","-"]
[4108,"Cc1c(Cl)c(=O)n(c(=O)[nH]1)C(C)(C)C\n\n\n","Cc1[nH]c(=O)n(c(=O)c1Cl)C(C)(C)C","O=C1NC(=C(C(=O)N1C(C)(C)C)Cl)C","",1,"TERBACIL(1)","5902-51-2(1)","3676","High Reliability","-"]
[4109,"CCNc1nc(NC(C)(C)C#N)nc(Cl)n1\n\n\n","CCNc1nc(nc(n1)Cl)NC(C#N)(C)C","N#CC(Nc1nc(nc(n1)Cl)NCC)(C)C","",1,"CYANAZINE(1)","21725-46-2(1)","4300","High Reliability","-"]
[4110,"CN(C)Cc1ccccc1\n\n\n","CN(Cc1ccccc1)C","c1ccc(cc1)CN(C)C","",1,"N,N-DIMETHYLBENZYLAMINE(1)","103-83-3(1)","941","High Reliability","-"]
[4111,"Cc1cc(C)c(N)cc1C\n\n\n","Cc1cc(N)c(cc1C)C","Nc1cc(c(cc1C)C)C","",1,"2,4,5-Trimethylaniline(1)","137-17-7(1)","1531","High Reliability","-"]
[4112,"Cc1nc(C)c(C)c(C)c1\n\n\n","Cc1cc(C)c(c(n1)C)C","n1c(cc(c(c1C)C)C)C","",1,"Pyridine, 2,3,4,6-tetramethyl-(1)","20820-82-0(1)","4279","High Reliability","-"]
[4113,"CN(C)c1ccc(C)cc1\n\n\n","Cc1ccc(cc1)N(C)C","c1cc(ccc1N(C)C)C","",1,"N,N,4-TRIMETHYLANILINE(1)","99-97-8(1)","864","High Reliability","-"]
[4114,"Cn1c(=O)cc(N)n(CC(C)=C)c1=O\n\n\n","Cn1c(=O)n(CC(=C)C)c(cc1=O)N","O=C1C=C(N)N(C(=O)N1C)CC(=C)C","",1,"Amisometradine(1)","550-28-7(1)","2122","Medium Reliability","-"]
[4115,"Nc1nc(=O)n(cc1)C2CCC(CO)O2\n\n\n","Nc1ccn(c(=O)n1)C1CCC(O1)CO","O=C1N=C(N)C=CN1C2OC(CO)CC2","",1,"CYTIDINE, 2',3'-DIDEOXY-(1)","7481-89-2(1)","3848","High Reliability","Stereochemistry removed"]
[4116,"CC(N)C(O)c1ccccc1\n\n\n","OC(c1ccccc1)C(N)C","OC(c1ccccc1)C(N)C","",1,"2-amino-1-phenyl-propan-1-ol(1)","492-39-7(1)","1882","Medium Reliability","Stereochemistry removed"]
[4117,"NC(=O)OC1(CCCCC1)C#C\nNC(O)=O.OC1(CCCCC1)C#C\n\n","C#CC1(CCCCC1)OC(=O)N","O=C(OC1(C#C)(CCCCC1))N","",1,"cyclohexanol,1-ethynyl-,carbamate(1)","126-52-3(1)","1460","High Reliability","Name verified in PubChem"]
[4118,"OC(C(O)C(O)=O)C(O)=O.CNCC(O)c1ccc(O)c(O)c1\nCNCC(O)c1ccc(O)c(O)c1\n\n","CNCC(c1ccc(c(c1)O)O)O","Oc1ccc(cc1(O))C(O)CNC","",2,"ADRENALINE TARTRATE (1:1)(1), EPINEPHRINE(1)","51-42-3(1), 51-43-4(1)","46, 47","Medium Reliability, High Reliability","Stereochemistry removed"]
[4119,"NS(=O)(=O)c1ccc(SCCCO)cc1\n\n\n","OCCCSc1ccc(cc1)S(=O)(=O)N","O=S(=O)(N)c1ccc(cc1)SCCCO","",1,"BENZENESULFONAMIDE, 4-[(3-HYDROXYPROPYL)THIO]-(1)","108966-51-4(1)","5536","Medium Reliability","-"]
[4120,"Cc1cc(C)c(c(C)c1)P(O)=O\n\n\n","Cc1cc(C)cc(c1P(=O)O)C","O=P(O)c1c(cc(cc1C)C)C","",1,"phosphinic acid, mesityl-(1)","6781-97-1(1)","3780","Medium Reliability","-"]
[4121,"COc1coc(CSP(=O)(OC)OC)cc1=O\n\n\n","COc1coc(cc1=O)CSP(=O)(OC)OC","O=C1C=C(OC=C1(OC))CSP(=O)(OC)OC","",1,"ENDOTHION(1)","2778-04-3(1)","3285","High Reliability","-"]
[4122,"CC(C)Nc1nc(Cl)nc(NC2CC2)n1\nCCSC(=O)N(CC)CC.CC(C)Nc1nc(Cl)nc(NC2CC2)n1\n\n","CC(Nc1nc(NC2CC2)nc(n1)Cl)C","n1c(nc(nc1NC2CC2)Cl)NC(C)C","",1,"CYPRAZINE(1)","22936-86-3(1)","4332","High Reliability","Differences in counterions"]
[4123,"CCNc1nc(NCC(=O)OCC)nc(Cl)n1\n\n\n","CCOC(=O)CNc1nc(Cl)nc(n1)NCC","O=C(OCC)CNc1nc(nc(n1)Cl)NCC","",1,"eglinazineethyl(1)","6616-80-4(1)","3768","Medium Reliability","Name verified in PubChem"]
[4124,"CCC1(C(C)C)C(=O)NC(=O)NC1=O\n\n\n","CCC1(C(C)C)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC)C(C)C","",1,"PROBARBITAL(1)","76-76-6(1)","403","High Reliability","-"]
[4125,"CCC1(CC)C(=O)NC(=O)N(C)C1=O\n\n\n","CCC1(CC)C(=O)NC(=O)N(C1=O)C","O=C1NC(=O)C(C(=O)N1C)(CC)CC","",1,"METHARBITAL(1)","50-11-3(1)","6","High Reliability","-"]
[4126,"CC1=CC(=O)CC(C)(C)C1\n\n\n","CC1=CC(=O)CC(C1)(C)C","O=C1C=C(C)CC(C)(C)C1","",1,"ISOPHORONE(1)","78-59-1(1)","440","High Reliability","-"]
[4127,"CC1=C(CCC1(C)C)C(O)=O\n\n\n","OC(=O)C1=C(C)C(CC1)(C)C","O=C(O)C1=C(C)C(C)(C)CC1","",1,"1-Cyclopentene-1-carboxylic acid, 2,3,3-trimethy(1)","5587-63-3(1)","3634","Medium Reliability","-"]
[4128,"CC(=O)OCC(COC(C)=O)OC(C)=O\n\n\n","CC(=O)OC(COC(=O)C)COC(=O)C","O=C(OCC(OC(=O)C)COC(=O)C)C","",1,"TRIACETIN(1)","102-76-1(1)","923","High Reliability","-"]
[4129,"CC(C)(C(O)=O)C(C)(CC(O)=O)C(O)=O\n\n\n","OC(=O)CC(C(C(=O)O)(C)C)(C(=O)O)C","O=C(O)CC(C(=O)O)(C)C(C(=O)O)(C)C","",2,"1,2,3-Butanetricarboxylic acid, 2,3-dimethyl-(1), 1-Camphoronic Acid(1)","508-34-9(1), 2385-74-2(1)","1942, 3187","Medium Reliability","Manual Check passed"]
[4130,"BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr\n\n\n","BrCC(COP(=O)(OCC(CBr)Br)OCC(CBr)Br)Br","O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br","",1,"TRIS(2,3-DIBROMOPROPYL) PHOSPHATE(1)","126-72-7(1)","1462","High Reliability","-"]
[4131,"ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl\n\n\n","ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl","O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl","",1,"TRIS(1,3-DICHLOROISOPROPYL) PHOSPHATE(1)","13674-87-8(1)","3995","Medium Reliability","-"]
[4132,"ClCCC(Cl)OP(=O)(OC(Cl)CCCl)OC(Cl)CCCl\n\n\n","ClCCC(OP(=O)(OC(CCCl)Cl)OC(CCCl)Cl)Cl","O=P(OC(CCCl)Cl)(OC(CCCl)Cl)OC(CCCl)Cl","",1,"TRIS(1,3-DICHLOROPROPYL) PHOSPHATE(1)","40120-74-9(1)","4726","High Reliability","Checked on PubChem, Checked on ChemID"]
[4133,"C=CCN(CC=C)CC=C\n\n\n","C=CCN(CC=C)CC=C","C=CCN(CC=C)CC=C","",1,"TRIALLYLAMINE(1)","102-70-5(1)","921","High Reliability","-"]
[4134,"CCc1nc(CC)c(C)c(N)n1\n\n\n","CCc1nc(CC)c(c(n1)N)C","n1c(N)c(c(nc1CC)CC)C","",1,"4-Pyrimidinamine, 2,6-diethyl-5-methyl-(1)","2635-56-5(1)","3263","High Reliability","-"]
[4135,"CCOc1nc(OCC)nc(OCC)n1\n\n\n","CCOc1nc(OCC)nc(n1)OCC","n1c(nc(nc1OCC)OCC)OCC","",1,"2,4,6-TRIETHOXY-S-TRIAZINE(1)","884-43-5(1)","2730","Medium Reliability","-"]
[4136,"Nc1cc(nc(N)[n+]1[O-])N2CCCCC2\nNc1cc(nc(=N)n1O)N2CCCCC2\n\n","Nc1cc(nc([n+]1[O-])N)N1CCCCC1","[O-][n+]1c(nc(cc1(N))N2CCCCC2)N","",1,"MINOXIDIL(1)","38304-91-5(1)","4665","High Reliability","-"]
[4137,"CN1C2CCCC1CC(=O)C2\n\n\n","O=C1CC2CCCC(C1)N2C","O=C1CC2N(C)C(C1)CCC2","",1,"9-Methyl-9-azabicyclo[3.3.1]nonan-3-one(1)","552-70-5(1)","2133","High Reliability","Checked on PubChem, Checked on ChemID"]
[4138,"CCCCCN1C(=O)CCC1=O\n\n\n","CCCCCN1C(=O)CCC1=O","O=C1N(C(=O)CC1)CCCCC","",1,"2,5-Pyrrolidinedione, 1-pentyl-(1)","5332-35-4(1)","3586","High Reliability","-"]
[4139,"CN1C2CCC1C(C(O)C2)C(O)=O\n\n\n","OC1CC2CCC(C1C(=O)O)N2C","O=C(O)C2C(O)CC1N(C)C2(CC1)","",1,"Ecgonine(1)","481-37-8(1)","1853","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[4140,"CCCCCCCC#C\n\n\n","CCCCCCCC#C","C#CCCCCCCC","",1,"1-NONYNE(1)","3452-09-3(1)","3385","High Reliability","-"]
[4141,"CCNc1nc(Cl)nc(n1)N(CC)CC\n\n\n","CCNc1nc(Cl)nc(n1)N(CC)CC","n1c(nc(nc1N(CC)CC)Cl)NCC","",1,"TRIETAZINE(1)","1912-26-1(1)","3021","High Reliability","-"]
[4142,"CC(C)Nc1nc(NC(C)C)nc(Cl)n1\n\n\n","CC(Nc1nc(NC(C)C)nc(n1)Cl)C","n1c(nc(nc1NC(C)C)Cl)NC(C)C","",1,"PROPAZINE(1)","139-40-2(1)","1545","High Reliability","-"]
[4143,"CCNc1nc(NC(C)(C)C)nc(Cl)n1\n\n\n","CCNc1nc(Cl)nc(n1)NC(C)(C)C","n1c(nc(nc1NC(C)(C)C)Cl)NCC","",1,"TERBUTHYLAZINE(1)","5915-41-3(1)","3677","High Reliability","-"]
[4144,"CCCCC(=CC)C(O)=NC(O)=N\nCCCCC(=CC)C(=O)NC(N)=O\n\n","CC=C(C(=NC(=N)O)O)CCCC","N=C(O)N=C(O)C(=CC)CCCC","",1,"Hexanamide, N-(aminocarbonyl)-2-ethylidene-(1)","102613-33-2(1)","5475","High Reliability","Stereochemistry removed"]
[4145,"CC(C)C(CC=C)C(=O)NC(N)=O\n\n\n","C=CCC(C(=O)NC(=O)N)C(C)C","O=C(N)NC(=O)C(CC=C)C(C)C","",1,"N-(aminocarbonyl)-2-(1-methylethyl)4-pentenamide(1)","528-92-7(1)","2010","High Reliability","Checked on PubChem, Checked on ChemID"]
[4146,"CC(C)C1CCC(=NO)C(C1)=NO\n\n\n","ON=C1CC(CCC1=NO)C(C)C","ON=C1C(=NO)CC(CC1)C(C)C","",1,"1,2-Cyclohexanedione, 4-isopropyl-, dioxime(1)","18310-20-8(1)","4193","Medium Reliability","-"]
[4147,"CCSc1nnc(c(=O)n1N)C(C)(C)C\n\n\n","CCSc1nnc(c(=O)n1N)C(C)(C)C","O=C1C(=NN=C(N1(N))SCC)C(C)(C)C","",1,"Ethiozin(1)","64529-56-2(1)","5038","High Reliability","-"]
[4148,"CNC(=O)N(C)c1nnc(s1)C(C)(C)C\n\n\n","CNC(=O)N(c1nnc(s1)C(C)(C)C)C","O=C(NC)N(c1nnc(C(C)(C)C)s1)C","",1,"TEBUTHIURON(1)","34014-18-1(1)","4576","High Reliability","-"]
[4149,"CC1CCC2(CCC(C)O2)O1\n\n\n","CC1CCC2(O1)CCC(O2)C","O1C(C)CCC12(OC(C)CC2)","",1,"1,6-DIOXASPIRO[4,4]NONANE, 2,7-DIMETHYL-(1)","30483-86-4(1)","4506","Medium Reliability","Checked on PubChem"]
[4150,"OC(=O)CCCCCCCC=O\n\n\n","O=CCCCCCCCC(=O)O","O=CCCCCCCCC(=O)O","",1,"Nonanoic acid, 9-oxo-(1)","2553-17-5(1)","3236","High Reliability","-"]
[4151,"CCCCCCC(C(O)=O)C(O)=O\n\n\n","CCCCCCC(C(=O)O)C(=O)O","O=C(O)C(C(=O)O)CCCCCC","",1,"Propanedioic acid, hexyl-(1)","3974-36-5(1)","3452","Medium Reliability","-"]
[4152,"CCOC(=O)CCCC(=O)OCC\n\n\n","CCOC(=O)CCCC(=O)OCC","O=C(OCC)CCCC(=O)OCC","",1,"DIETHYL GLUTARATE(1)","818-38-2(1)","2695","High Reliability","-"]
[4153,"CCCCC(CC)(C(O)=O)C(O)=O\n\n\n","CCCCC(C(=O)O)(C(=O)O)CC","O=C(O)C(C(=O)O)(CC)CCCC","",1,"Propanedioic acid, butylethyl-(1)","2085-15-6(1)","3093","Medium Reliability","Checked on PubChem"]
[4154,"CCC(CC(CC)C(O)=O)C(O)=O\n\n\n","CCC(C(=O)O)CC(C(=O)O)CC","O=C(O)C(CC)CC(C(=O)O)CC","",1,"Pentanedioic acid, 2,4-diethyl-(1)","27899-21-4(1)","4454","Medium Reliability","-"]
[4155,"CCCCOC(=O)C(C)OC(C)=O\n\n\n","CCCCOC(=O)C(OC(=O)C)C","O=C(OC(C(=O)OCCCC)C)C","",1,"2-acetoxy-propionic acid butyl ester(1)","5422-69-5(1)","3605","Medium Reliability","-"]
[4156,"CC(C(O)=O)C(C)(C)CCC(O)=O\n\n\n","OC(=O)CCC(C(C(=O)O)C)(C)C","O=C(O)CCC(C)(C)C(C(=O)O)C","",1,"Hexanedioic acid, 2,3,3-trimethyl-(1)","920-79-6(1)","2741","Medium Reliability","-"]
[4157,"OC(=O)CCCCCCCC(O)=O\n\n\n","OC(=O)CCCCCCCC(=O)O","O=C(O)CCCCCCCC(=O)O","",1,"NONANEDIOC ACID(1)","123-99-9(1)","1434","Medium Reliability","-"]
[4158,"CCOP(=S)(OCC)Oc1nn(C(C)C)c(Cl)n1\n\n\n","CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC","n1c(nn(c1Cl)C(C)C)OP(OCC)(OCC)=S","",1,"ISAZOFOS(1)","42509-80-8(1)","4760","High Reliability","-"]
[4159,"CCCCCCCCC#N\n\n\n","CCCCCCCCC#N","N#CCCCCCCCC","",1,"NONANONITRILE(1)","2243-27-8(1)","3143","High Reliability","-"]
[4160,"C1CCC2NCCCC2C1\n\n\n","C1CCC2C(C1)NCCC2","N1CCCC2CCCCC12","",1,"Quinoline, decahydro-(1)","767-92-0(1)","2684","High Reliability","Stereochemistry removed"]
[4161,"CC(C)Nc1nc(=O)nc(NC(C)C)[nH]1\nCC(C)Nc1nc(O)nc(NC(C)C)n1\n\n","CC(Nc1[nH]c(NC(C)C)nc(=O)n1)C","O=C1N=C(NC(=N1)NC(C)C)NC(C)C","",1,"4,6-BIS(ISOPROPYLAMINO)-S-TRIAZIN-2-OL(1)","7374-53-0(1)","3834","Medium Reliability","-"]
[4162,"CCNc1nc(NC(C)C)nc(OC)n1\n\n\n","CCNc1nc(NC(C)C)nc(n1)OC","n1c(nc(nc1NCC)NC(C)C)OC","",1,"ATRATONE(1)","1610-17-9(1)","2942","High Reliability","-"]
[4163,"CCNc1nc(SC)nc(NC(C)C)n1\n\n\n","CCNc1nc(NC(C)C)nc(n1)SC","n1c(nc(nc1NC(C)C)SC)NCC","",1,"AMETRYNE(1)","834-12-8(1)","2711","High Reliability","-"]
[4164,"OC1=NCCCCCCCC1\nO=C1CCCCCCCCN1\n\n","OC1=NCCCCCCCC1","OC1=NCCCCCCCC1","",1,"2(1H)-Azecinone, octahydro-(1)","6142-53-6(1)","3706","Medium Reliability","-"]
[4165,"CC(C)(CO)C(O)C(=O)NCCC(O)=O\n\n\n","OCC(C(C(=O)NCCC(=O)O)O)(C)C","O=C(O)CCNC(=O)C(O)C(C)(C)CO","",1,"D-PANTOTHENIC ACID(1)","79-83-4(1)","481","High Reliability","Stereochemistry removed"]
[4166,"CCOC(O)=NC(C=O)C(O)C(O)C(O)CO\nCCOC(=O)NC(C=O)C(O)C(O)C(O)CO\n\n","CCOC(=NC(C(C(C(CO)O)O)O)C=O)O","O=CC(N=C(O)OCC)C(O)C(O)C(O)CO","",1,"D-Glucose, 2-deoxy-2-[(ethoxycarbonyl)amino]-(1)","686-14-6(1)","2632","Medium Reliability","Stereochemistry removed"]
[4167,"CCSC(=O)N1CCCCCC1\n\n\n","CCSC(=O)N1CCCCCC1","O=C(N1CCCCCC1)SCC","",1,"MOLINATE(1)","2212-67-1(1)","3128","High Reliability","-"]
[4168,"CC1CCCC(C)(C)C1\n\n\n","CC1CCCC(C1)(C)C","CC1CCCC(C)(C)C1","",1,"1,1,3-TRIMETHYLCYCLOHEXANE(1)","3073-66-3(1)","3325","High Reliability","-"]
[4169,"CCCCC(CC)C(=O)NC(N)=O\n\n\n","CCCCC(C(=O)NC(=O)N)CC","O=C(N)NC(=O)C(CC)CCCC","",1,"Hexanamide, N-(aminocarbonyl)-2-ethyl-(1)","58850-93-4(1)","4963","High Reliability","-"]
[4170,"CNC(=O)ON=C(CSC)C(C)(C)C\n\n\n","CSCC(=NOC(=O)NC)C(C)(C)C","O=C(ON=C(CSC)C(C)(C)C)NC","",1,"THIOFANOX(1)","39196-18-4(1)","4705","High Reliability","Stereochemistry removed"]
[4171,"CCCC(C)(COC(N)=O)COC(N)=O\n\n\n","CCCC(COC(=O)N)(COC(=O)N)C","O=C(OCC(C)(COC(=O)N)CCC)N","",1,"MEPROBAMATE(1)","57-53-4(1)","130","High Reliability","-"]
[4172,"CN(C)c1nc(nc(n1)N(C)C)N(C)C\n\n\n","CN(c1nc(nc(n1)N(C)C)N(C)C)C","n1c(nc(nc1N(C)C)N(C)C)N(C)C","",1,"hexamethylmelamine(1)","645-05-6(1)","2611","Medium Reliability","Name verified in PubChem"]
[4173,"CCOP(=O)(SC(C)CC)N1CCSC1=O\n\n\n","CCOP(=O)(N1CCSC1=O)SC(CC)C","O=C1N(CCS1)P(=O)(OCC)SC(C)CC","",1,"Fosthiazate(1)","98886-44-3(1)","5433","High Reliability","-"]
[4174,"CCCCCCCCC=O\n\n\n","CCCCCCCCC=O","O=CCCCCCCCC","",1,"NONANAL(1)","124-19-6(1)","1443","High Reliability","-"]
[4175,"CCCCCCCC(C)=O\n\n\n","CCCCCCCC(=O)C","O=C(C)CCCCCCC","",1,"2-NONANONE(1)","821-55-6(1)","2701","High Reliability","-"]
[4176,"CCCCC(=O)CCCC\n\n\n","CCCCC(=O)CCCC","O=C(CCCC)CCCC","",1,"5-NONANONE(1)","502-56-7(1)","1922","High Reliability","-"]
[4177,"CC(C)CC(=O)CC(C)C\n\n\n","CC(CC(=O)CC(C)C)C","O=C(CC(C)C)CC(C)C","",1,"2,6-DIMETHYL-4-HEPTANONE(1)","108-83-8(1)","1103","High Reliability","-"]
[4178,"CCCCCCCCC(O)=O\n\n\n","CCCCCCCCC(=O)O","O=C(O)CCCCCCCC","",1,"NONANOIC ACID(1)","112-05-0(1)","1241","High Reliability","-"]
[4179,"CCCCCCCC(=O)OC\n\n\n","CCCCCCCC(=O)OC","O=C(OC)CCCCCCC","",1,"METHYL OCTANOATE(1)","111-11-5(1)","1203","High Reliability","-"]
[4180,"CCCCCCC(=O)OCC\n\n\n","CCCCCCC(=O)OCC","O=C(OCC)CCCCCC","",1,"ETHYL HEPTANOATE(1)","106-30-9(1)","988","High Reliability","-"]
[4181,"CCCCCOC(=O)CCC\n\n\n","CCCCCOC(=O)CCC","O=C(OCCCCC)CCC","",1,"PENTYL BUTYRATE(1)","540-18-1(1)","2063","High Reliability","-"]
[4182,"CCCCCCOC(=O)C(C)O\n\n\n","CCCCCCOC(=O)C(O)C","O=C(OCCCCCC)C(O)C","",1,"Propanoic acid, 2-hydroxy-, hexyl ester(1)","20279-51-0(1)","4253","High Reliability","Checked on PubChem, Checked on ChemID"]
[4183,"CCCCOC(=O)CCOCC\n\n\n","CCCCOC(=O)CCOCC","O=C(OCCCC)CCOCC","",1,"Propanoic acid, 3-ethoxy-, butyl ester(1)","14144-35-5(1)","4011","High Reliability","-"]
[4184,"CCCOCCC(=O)OCCC\n\n\n","CCCOCCC(=O)OCCC","O=C(OCCC)CCOCCC","",1,"Propanoic acid, 3-propoxy-, propyl ester(1)","14144-41-3(1)","4015","High Reliability","-"]
[4185,"CCCCCCC(O)C(O)C(O)=O\n\n\n","CCCCCCC(C(C(=O)O)O)O","O=C(O)C(O)C(O)CCCCCC","",1,"Nonanoic acid, 2,3-dihydroxy-(1)","90677-53-5(1)","5354","Medium Reliability","-"]
[4186,"CCC(CCC(C)C)C(N)=O\n\n\n","CCC(C(=O)N)CCC(C)C","O=C(N)C(CC)CCC(C)C","",1,"Hexanamide, 2-ethyl-5-methyl-(1)","102450-10-2(1)","5474","High Reliability","Checked on PubChem, Checked on ChemID"]
[4187,"CCN(CC)C(=O)CC(C)C\nCC[N-]CCC(=O)CC(C)C\n\n","CCN(C(=O)CC(C)C)CC","O=C(N(CC)CC)CC(C)C","",1,"isovaleryldiethylamide(1)","533-32-4(1)","2026","High Reliability","Name verified in PubChem"]
[4188,"CCCCCCN=C(O)C(C)O\nCCCCCCNC(=O)C(C)O\n\n","CCCCCCN=C(C(O)C)O","OC(=NCCCCCC)C(O)C","",1,"N-hexyl-lactamide(1)","5422-39-9(1)","3604","High Reliability","-"]
[4189,"CC(C)(CO)C(O)C(=O)NCCCO\n\n\n","OCCCNC(=O)C(C(CO)(C)C)O","O=C(NCCCO)C(O)C(C)(C)CO","",1,"Dexpanthenol(1)","81-13-0(1)","504","High Reliability","Stereochemistry removed"]
[4190,"CCCN(CCC)C(=O)SCC\n\n\n","CCCN(C(=O)SCC)CCC","O=C(N(CCC)CCC)SCC","",1,"EPTAM (EPTC)(1)","759-94-4(1)","2671","Medium Reliability","-"]
[4191,"CCCCCCCCC\n\n\n","CCCCCCCCC","CCCCCCCCC","",1,"N-NONANE(1)","111-84-2(1)","1233","High Reliability","-"]
[4192,"CCCCC(C)CCC\n\n\n","CCCCC(CCC)C","CCCCC(C)CCC","",1,"4-METHYLOCTANE(1)","2216-34-4(1)","3130","High Reliability","-"]
[4193,"CC(C)CCC(C)(C)C\n\n\n","CC(CCC(C)(C)C)C","CC(C)CCC(C)(C)C","",1,"2,2,5-TRIMETHYLHEXANE(1)","3522-94-9(1)","3391","High Reliability","-"]
[4194,"CCN(CC)C(=O)N(CC)CC\n\n\n","CCN(C(=O)N(CC)CC)CC","O=C(N(CC)CC)N(CC)CC","",1,"UREA, TETRAETHYL-(1)","1187-03-7(1)","2862","High Reliability","-"]
[4195,"CCCOC(=O)NCCCN(C)C\n[Cl-].CCCOC(=O)NCCC[NH+](C)C\n\n","CCCOC(=O)NCCCN(C)C","O=C(OCCC)NCCCN(C)C","",1,"Propamocarb(1)","24579-73-5(1)","4362","High Reliability","Differences in counterions"]
[4196,"CCOP(=S)(OCC)SCC(=O)NC(C)C\n\n\n","CCOP(=S)(SCC(=O)NC(C)C)OCC","O=C(NC(C)C)CSP(OCC)(OCC)=S","",1,"PROTHOATE(1)","2275-18-5(1)","3153","High Reliability","-"]
[4197,"CCCCCCCCCO\n\n\n","CCCCCCCCCO","OCCCCCCCCC","",1,"1-NONANOL(1)","143-08-8(1)","1593","High Reliability","-"]
[4198,"CCCCCCCC(C)O\n\n\n","CCCCCCCC(O)C","OC(C)CCCCCCC","",1,"2-NONANOL(1)","628-99-9(1)","2561","High Reliability","-"]
[4199,"CCCCCCC(O)CC\n\n\n","CCCCCCC(CC)O","OC(CC)CCCCCC","",1,"3-NONANOL(1)","624-51-1(1)","2506","High Reliability","-"]
[4200,"CCCCCC(O)CCC\n\n\n","CCCCCC(CCC)O","OC(CCC)CCCCC","",1,"4-NONANOL(1)","5932-79-6(1)","3679","High Reliability","-"]
[4201,"CCCCC(O)CCCC\n\n\n","CCCCC(CCCC)O","OC(CCCC)CCCC","",1,"5-NONANOL(1)","623-93-8(1)","2500","High Reliability","-"]
[4202,"CCCC(CC)(CC)CO\n\n\n","CCCC(CO)(CC)CC","OCC(CC)(CC)CCC","",1,"2,2-DIETHYL-1-PENTANOL(1)","14202-62-1(1)","4019","High Reliability","-"]
[4203,"CCC(C)C(O)C(C)CC\n\n\n","CCC(C(C(CC)C)O)C","OC(C(C)CC)C(C)CC","",1,"3,5-DIMETHYL-4-HEPTANOL(1)","19549-79-2(1)","4229","High Reliability","Checked on PubChem, Checked on ChemID"]
[4204,"CC(C)CC(O)CC(C)C\n\n\n","OC(CC(C)C)CC(C)C","OC(CC(C)C)CC(C)C","",1,"2,6-DIMETHYL-4-HEPTANOL(1)","108-82-7(1)","1102","High Reliability","-"]
[4205,"CC(C)CCCCCCO\n\n\n","OCCCCCCC(C)C","OCCCCCCC(C)C","",1,"7-METHYL-1-OCTANOL(1)","2430-22-0(1)","3202","High Reliability","-"]
[4206,"CCCOCC(O)COCCC\n\n\n","CCCOCC(COCCC)O","OC(COCCC)COCCC","",1,"2-Propanol, 1,3-dipropoxy-(1)","43015-17-4(1)","4769","Medium Reliability","-"]
[4207,"CCCOCC(C)OCC(C)O\n\n\n","CCCOCC(OCC(O)C)C","OC(C)COC(C)COCCC","",1,"2-Propanol, 1-(1-methyl-2-propoxyethoxy)-(1)","29911-27-1(1)","4493","High Reliability","-"]
[4208,"CC(C)OCC(O)COC(C)C\n\n\n","OC(COC(C)C)COC(C)C","OC(COC(C)C)COC(C)C","",1,"O1,O3-Diisopropyl-glycerol(1)","13021-54-0(1)","3946","Medium Reliability","-"]
[4209,"CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC\n\n\n","CCC(S(=O)(=O)CC)(S(=O)(=O)CC)CC","O=S(=O)(CC)C(CC)(CC)S(=O)(=O)CC","",1,"Pentane, 3,3-bis(ethylsulfonyl)-(1)","2217-59-6(1)","3136","High Reliability","-"]
[4210,"CCCN(CCC)CCC\n\n\n","CCCN(CCC)CCC","N(CCC)(CCC)CCC","",1,"TRIPROPYLAMINE(1)","102-69-2(1)","920","High Reliability","-"]
[4211,"CC(O)CN(CC(C)O)CC(C)O\n\n\n","CC(CN(CC(O)C)CC(O)C)O","OC(C)CN(CC(O)C)CC(O)C","",1,"2-Propanol, 1,1',1''-nitrilotris-(1)","122-20-3(1)","1389","High Reliability","-"]
[4212,"CCOP(=S)(OCC)SCSC(C)(C)C\n\n\n","CCOP(=S)(SCSC(C)(C)C)OCC","O(CC)P(OCC)(=S)SCSC(C)(C)C","",1,"TERBUFOS(1)","13071-79-9(1)","3951","High Reliability","-"]
[4213,"CCCCOP(C)(=O)OCCCC\n\n\n","CCCCOP(=O)(OCCCC)C","O=P(OCCCC)(OCCCC)C","",1,"DIBUTYL METHYLPHOSPHONATE(1)","2404-73-1(1)","3194","High Reliability","-"]
[4214,"CCOP(=S)(OCC)SCS(=O)C(C)(C)C\n\n\n","CCOP(=S)(SCS(=O)C(C)(C)C)OCC","O=S(CSP(OCC)(OCC)=S)C(C)(C)C","",1,"TERBUFOS SULFOXIDE(1)","10548-10-4(1)","3926","High Reliability","-"]
[4215,"CCS(=O)CSP(=S)(OC(C)C)OC(C)C\n\n\n","CCS(=O)CSP(=S)(OC(C)C)OC(C)C","O=S(CC)CSP(OC(C)C)(OC(C)C)=S","",1,"APHIDAN(1)","5827-05-4(1)","3668","High Reliability","-"]
[4216,"CCCCOP(=O)(OC)OCCCC\n\n\n","CCCCOP(=O)(OCCCC)OC","O=P(OC)(OCCCC)OCCCC","",1,"Phosphoric acid, dibutyl methyl ester(1)","7242-59-3(1)","3821","High Reliability","-"]
[4217,"CCCOP(=O)(OCCC)OCCC\n\n\n","CCCOP(=O)(OCCC)OCCC","O=P(OCCC)(OCCC)OCCC","",1,"TRIPROPYL PHOSPHATE(1)","513-08-6(1)","1955","High Reliability","-"]
[4218,"CCCCCOP(=O)(OCC)OCC\n\n\n","CCCCCOP(=O)(OCC)OCC","O=P(OCC)(OCC)OCCCCC","",1,"DIETHYL PENTYL PHOSPHATE(1)","20195-08-8(1)","4251","High Reliability","-"]
[4219,"CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C\n\n\n","CCOP(=S)(SCS(=O)(=O)C(C)(C)C)OCC","O=S(=O)(CSP(OCC)(OCC)=S)C(C)(C)C","",1,"TERBUFOS SULFONE(1)","56070-16-7(1)","4927","High Reliability","-"]
[4220,"CCN(CC)CN(CC)CC\n\n\n","CCN(CN(CC)CC)CC","N(CN(CC)CC)(CC)CC","",1,"Methanediamine, N,N,N',N'-tetraethyl-(1)","102-53-4(1)","917","High Reliability","-"]
[4221,"CCOP(=S)(OCC)SCSP(=S)(OCC)OCC\n\n\n","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC","O(CC)P(OCC)(=S)SCSP(OCC)(OCC)=S","",1,"ETHION(1)","563-12-2(1)","2176","High Reliability","-"]
[4222,"ClC(Cl)(Cl)SN1C(=O)c2c(cccc2)C1=O\nClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O\n\n","ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl","O=C1c2ccccc2(C(=O)N1SC(Cl)(Cl)Cl)","",1,"FOLPET(1)","133-07-3(1)","1510","High Reliability","-"]
[4223,"OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl\n\n\n","OC(=O)C1C(C(=O)O)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl","O=C(O)C1C(C(=O)O)C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl","",1,"CHLORENDIC ACID(1)","115-28-6(1)","1279","High Reliability","-"]
[4224,"Oc1c2ncccc2c(Br)cc1Br\n\n\n","Brc1cc(Br)c2c(c1O)nccc2","Oc2c1ncccc1c(cc2Br)Br","",1,"8-Quinolinol, 5,7-dibromo-(1)","521-74-4(1)","1983","High Reliability","-"]
[4225,"Brc1cc(=O)oc2ccccc12\n\n\n","O=c1cc(Br)c2c(o1)cccc2","O=C2Oc1ccccc1C(=C2)Br","",1,"2H-1-Benzopyran-2-one, 4-bromo-(1)","938-40-9(1)","2761","Medium Reliability","-"]
[4226,"OC(=O)c1cc(Br)cc(C(O)=O)c1C(O)=O\n\n\n","Brc1cc(C(=O)O)c(c(c1)C(=O)O)C(=O)O","O=C(O)c1cc(cc(C(=O)O)c1(C(=O)O))Br","",1,"1,2,3-Benzenetricarboxylic acid, 5-bromo-(1)","34163-34-3(1)","4580","Medium Reliability","-"]
[4227,"Clc1ccccc1Nc2nc(Cl)nc(Cl)n2\n\n\n","Clc1nc(nc(n1)Cl)Nc1ccccc1Cl","n1c(nc(nc1Cl)Cl)Nc2ccccc2Cl","",1,"ANILAZINE(1)","101-05-3(1)","903","Medium Reliability","-"]
[4228,"O=C1OCc2c1cc(cc2)C#N\nO=C1OCc2ccc(cc12)C#N\n\n","N#Cc1ccc2c(c1)C(=O)OC2","N#Cc1ccc2c(c1)C(=O)OC2","",1,"5-Isobenzofurancarbonitrile, 1,3-dihydro-3-oxo-(1)","89877-62-3(1)","5343","Medium Reliability","-"]
[4229,"[O-][N+](=O)c1cc2c(oc(=O)cc2)cc1\n[O-][N+](=O)c1ccc2oc(=O)ccc2c1\n\n","O=c1ccc2c(o1)ccc(c2)[N+](=O)[O-]","O=C1Oc2ccc(cc2(C=C1))[N+](=O)[O-]","",1,"2H-1-Benzopyran-2-one, 6-nitro-(1)","2725-81-7(1)","3278","High Reliability","-"]
[4230,"Cn1c(=O)on(c1=O)-c2ccc(Cl)c(Cl)c2\n\n\n","Clc1ccc(cc1Cl)n1oc(=O)n(c1=O)C","O=C1ON(C(=O)N1C)c2ccc(c(c2)Cl)Cl","",1,"METHAZOLE(1)","20354-26-1(1)","4258","High Reliability","-"]
[4231,"ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl\n\n\n","O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","",3,"ENDOSULFAN(1), A-ENDOSULFAN(1), Endosulfan (beta)(1)","115-29-7(1), 959-98-8(1), 33213-65-9(1)","1280, 2776, 4558","Medium Reliability","Stereochemistry removed"]
[4232,"ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl\n\n\n","ClC1=C(Cl)C2(C(C1(Cl)C1C2COS(=O)(=O)OC1)(Cl)Cl)Cl","O=S1(=O)(OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)","",1,"ENDOSULFAN SULFATE(1)","1031-07-8(1)","2802","High Reliability","-"]
[4233,"Oc1ccc(Cl)c2cccnc12\n\n\n","Clc1ccc(c2c1cccn2)O","Oc1ccc(c2cccnc12)Cl","",1,"8-quinolinol,5-chloro-(1)","130-16-5(1)","1494","Medium Reliability","Name verified in PubChem"]
[4234,"OC(=O)Cn1c(=O)sc2cccc(Cl)c12\n\n\n","OC(=O)Cn1c(=O)sc2c1c(Cl)ccc2","O=C(O)CN2C(=O)Sc1cccc(c12)Cl","",1,"BENAZOLIN(1)","3813-05-6(1)","3436","High Reliability","-"]
[4235,"N#CSCSc1nc2ccccc2s1\n\n\n","N#CSCSc1nc2c(s1)cccc2","N#CSCSc2nc1ccccc1s2","",1,"2-(THIOCYANATEMETHYLTHIO)BENZOTHIAZOLE(1)","21564-17-0(1)","4296","Medium Reliability","-"]
[4236,"O=c1oc2c(cccc2)cc1\nO=c1oc2ccccc2cc1\n\n","O=c1ccc2c(o1)cccc2","O=C1Oc2ccccc2(C=C1)","",1,"COUMARIN(1)","91-64-5(1)","673","High Reliability","-"]
[4237,"OC(=O)C(=O)c1ccccc1C(O)=O\n\n\n","OC(=O)C(=O)c1ccccc1C(=O)O","O=C(O)C(=O)c1ccccc1(C(=O)O)","",1,"PHTHALONIC ACID(1)","528-46-1(1)","2008","High Reliability","-"]
[4238,"OC(=O)c1cc(C(O)=O)c(cc1)C(O)=O\nOC(=O)c1ccc(C(O)=O)c(c1)C(O)=O\n\n","OC(=O)c1cc(ccc1C(=O)O)C(=O)O","O=C(O)c1ccc(C(=O)O)c(c1)C(=O)O","",1,"TRIMELLITIC ACID(1)","528-44-9(1)","2006","High Reliability","-"]
[4239,"OC(=O)c1cc(cc(c1)C(O)=O)C(O)=O\n\n\n","OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O","O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O","",1,"1,3,5-BENZENETRICARBOXYLIC ACID(1)","554-95-0(1)","2144","High Reliability","-"]
[4240,"OC(=O)c1cccc(C(O)=O)c1C(O)=O\n\n\n","OC(=O)c1c(cccc1C(=O)O)C(=O)O","O=C(O)c1cccc(C(=O)O)c1(C(=O)O)","",1,"HEMIMELLITIC ACID(1)","569-51-7(1)","2201","Medium Reliability","-"]
[4241,"OC(=O)c1cc2c(OCO2)cc1C(O)=O\n\n\n","OC(=O)c1cc2OCOc2cc1C(=O)O","O=C(O)c1cc2OCOc2(cc1(C(=O)O))","",1,"1,3-Benzodioxole-5,6-dicarboxylic acid(1)","490-26-6(1)","1873","Medium Reliability","-"]
[4242,"OC(=O)c1cc(C(O)=O)c(O)c(c1)C(O)=O\n\n\n","OC(=O)c1cc(C(=O)O)c(c(c1)C(=O)O)O","O=C(O)c1cc(C(=O)O)c(O)c(c1)C(=O)O","",1,"1,3,5-Benzenetricarboxylic acid, 2-hydroxy-(1)","609-98-3(1)","2404","Medium Reliability","-"]
[4243,"OC(=O)C=Cc1cc(Br)ccc1\n\n\n","OC(=O)C=Cc1cccc(c1)Br","O=C(O)C=Cc1cccc(c1)Br","",1,"M-BROMOCINNAMIC ACID(1)","32862-97-8(1)","4552","High Reliability","Stereochemistry removed"]
[4244,"CC(Oc1c(Cl)cc(Cl)c(Cl)c1)C(O)=O\nCC(Oc1cc(Cl)c(Cl)cc1Cl)C(O)=O\n\n","CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl","O=C(O)C(Oc1cc(c(cc1Cl)Cl)Cl)C","",2,"SILVEX(1), propanoicacid,2-(2,4,5-trichlorophenoxy)-,(r)(1)","93-72-1(1), 30365-50-5(1)","709, 4501","High Reliability","Manual Check passed"]
[4245,"Clc1c(Cl)cc(NC(NC=O)C(Cl)(Cl)Cl)cc1\n\n\n","O=CNC(C(Cl)(Cl)Cl)Nc1ccc(c(c1)Cl)Cl","O=CNC(Nc1ccc(c(c1)Cl)Cl)C(Cl)(Cl)Cl","",1,"Chloraniformethane(1)","20856-57-9(1)","4282","High Reliability","-"]
[4246,"Clc1ccc(NC(=O)CC#N)cc1\n\n\n","N#CCC(=O)Nc1ccc(cc1)Cl","N#CCC(=O)Nc1ccc(cc1)Cl","",1,"Acetamide, N-(4-chlorophenyl)-2-cyano-(1)","17722-17-7(1)","4169","High Reliability","-"]
[4247,"Clc1cccc(NC(=O)CC#N)c1\n\n\n","N#CCC(=O)Nc1cccc(c1)Cl","N#CCC(=O)Nc1cccc(c1)Cl","",1,"Acetamide, N-(3-chlorophenyl)-2-cyano-(1)","17722-12-2(1)","4168","High Reliability","-"]
[4248,"Clc1ccccc1NC(=O)CC#N\n\n\n","N#CCC(=O)Nc1ccccc1Cl","N#CCC(=O)Nc1ccccc1Cl","",1,"Acetamide, N-(2-chlorophenyl)-2-cyano-(1)","50982-66-6(1)","4793","High Reliability","-"]
[4249,"c1cc2c(cc1)cncc2\nc1ccc2cnccc2c1\n\n","c1ccc2c(c1)cncc2","n1ccc2ccccc2(c1)","",1,"ISOQUINOLINE(1)","119-65-3(1)","1344","High Reliability","-"]
[4250,"c1cc2c(cc1)nccc2\nc1ccc2ncccc2c1\n\n","c1ccc2c(c1)nccc2","n1cccc2ccccc12","",1,"QUINOLINE(1)","91-22-5(1)","668","High Reliability","-"]
[4251,"ON=C1C=CC(=NO)c2c1cccn2\nON=C1C=CC(=NO)c2ncccc12\n\n","ON=C1C=CC(=NO)c2c1nccc2","ON=C1C=CC(=NO)c2cccnc12","",1,"5,8-Quinolinedione, dioxime(1)","82153-77-3(1)","5275","Medium Reliability","-"]
[4252,"Cc1c2n3cnnc3sc2ccc1\n\n\n","Cc1cccc2c1n1cnnc1s2","n1nc3n(c1)c2c(cccc2s3)C","",1,"TRICYCLAZOLE(1)","41814-78-2(1)","4754","High Reliability","-"]
[4253,"Oc1cc2c(cc1)nccc2\nOc1ccc2ncccc2c1\n\n","Oc1ccc2c(c1)cccn2","Oc1ccc2ncccc2(c1)","",1,"6-HDROXYQUINOLINE(1)","580-16-5(1)","2225","Medium Reliability","-"]
[4254,"Oc1ccc2cccnc2c1\n[O-]c1ccc2ccc[nH+]c2c1\n\n","Oc1ccc2c(c1)nccc2","Oc1ccc2cccnc2(c1)","",1,"7-QUINOLINOL(1)","580-20-1(1)","2227","High Reliability","-"]
[4255,"Oc1cccc2cccnc12\n\n\n","Oc1cccc2c1nccc2","Oc1cccc2cccnc12","",1,"8-QUINOLINOL(1)","148-24-3(1)","1614","High Reliability","-"]
[4256,"Oc1cc2ccccc2nc1\nOc1cnc2ccccc2c1\n\n","Oc1cnc2c(c1)cccc2","Oc1cnc2ccccc2(c1)","",1,"3-QUINOLINOL(1)","580-18-7(1)","2226","High Reliability","-"]
[4257,"Oc1cccc2ncccc12\n[O-]c1cccc2[nH+]cccc12\n\n","Oc1cccc2c1cccn2","Oc1cccc2ncccc12","",1,"5-QUINOLINOL(1)","578-67-6(1)","2217","High Reliability","Checked on PubChem, Checked on ChemID"]
[4258,"O=c1cc[nH]c2ccccc12\nO=c1cc[nH]c2ccccc12\nOc1ccnc2ccccc12\n","O=c1cc[nH]c2c1cccc2","O=C1C=CNc2ccccc12","",2,"4(1H)-QUINOLINONE(1), 4-Hydroxyquinoline(1)","529-37-3(1), 611-36-9(1)","2011, 2413","Medium Reliability, High Reliability","-"]
[4259,"O=c1[nH]c2ccccc2cc1\n\n\n","O=c1ccc2c([nH]1)cccc2","O=C1C=Cc2ccccc2(N1)","",1,"2-(1H)-QUINOLINONE(1)","59-31-4(1)","165","Medium Reliability","-"]
[4260,"O=c1[nH]ccc2ccccc12\n\n\n","O=c1[nH]ccc2c1cccc2","O=C2NC=Cc1ccccc12","",1,"1(2H)-ISOQUINOLINONE(1)","491-30-5(1)","1877","High Reliability","-"]
[4261,"Nc1cc2c(oc(=O)cc2)cc1\nNc1ccc2oc(=O)ccc2c1\n[Cl-].[NH3+]c1ccc2oc(=O)ccc2c1\n","Nc1ccc2c(c1)ccc(=O)o2","O=C1Oc2ccc(N)cc2(C=C1)","",1,"2H-1-Benzopyran-2-one, 6-amino-(1)","14415-44-2(1)","4032","High Reliability","Differences in counterions"]
[4262,"NC(=O)C1OC(=O)c2ccccc12\n\n\n","NC(=O)C1OC(=O)c2c1cccc2","O=C1OC(C(=O)N)c2ccccc12","",1,"1-Isobenzofurancarboxamide, 1,3-dihydro-3-oxo-(1)","4792-32-9(1)","3538","Medium Reliability","-"]
[4263,"CC1OC(=O)c2c1ccc(c2)N(=O)=O\nCC1OC(=O)c2cc(ccc12)[N+]([O-])=O\n\n","O=C1OC(c2c1cc(cc2)[N+](=O)[O-])C","O=C1OC(c2ccc(cc12)[N+](=O)[O-])C","",1,"1(3H)-Isobenzofuranone, 3-methyl-6-nitro-(1)","58335-58-3(1)","4958","Medium Reliability","-"]
[4264,"COC(=O)c1c(cc(cc1)N(=O)=O)C(O)=O\nCOC(=O)c1ccc(cc1C([O-])=O)[N+]([O-])=O\n\n","COC(=O)c1ccc(cc1C(=O)O)[N+](=O)[O-]","O=C(O)c1cc(ccc1(C(=O)OC))[N+](=O)[O-]","",1,"Phthalic acid, 4-nitro-, 1-methyl ester(1)","90072-77-8(1)","5347","Medium Reliability","-"]
[4265,"COC(=O)c1c(ccc(c1)N(=O)=O)C(O)=O\nCOC(=O)c1cc(ccc1C([O-])=O)[N+]([O-])=O\n\n","COC(=O)c1cc(ccc1C(=O)O)[N+](=O)[O-]","O=C(O)c1ccc(cc1(C(=O)OC))[N+](=O)[O-]","",1,"Phthalic acid, 4-nitro-, 2-methyl ester(1)","101714-14-1(1)","5465","Medium Reliability","-"]
[4266,"COC(=O)COc1c(Cl)cc(Cl)cc1\nCOC(=O)COc1ccc(Cl)cc1Cl\n\n","COC(=O)COc1ccc(cc1Cl)Cl","O=C(OC)COc1ccc(cc1Cl)Cl","",1,"2,4-D, METHYL ESTER(1)","1928-38-7(1)","3032","Medium Reliability","-"]
[4267,"CC(Oc1c(Cl)cc(Cl)cc1)C(O)=O\nCC(Oc1ccc(Cl)cc1Cl)C(O)=O\n\n","OC(=O)C(Oc1ccc(cc1Cl)Cl)C","O=C(O)C(Oc1ccc(cc1Cl)Cl)C","",2,"DICHLORPROP(1), Propanoic acid, 2-(2,4-dichlorophenoxy)-, (R)-(1)","120-36-5(1), 15165-67-0(1)","1356, 4060","High Reliability","Stereochemistry removed"]
[4268,"ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O\n\n\n","ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl","O=C1N(C(=O)C2CC=CCC12)SC(Cl)(Cl)Cl","",1,"CAPTAN(1)","133-06-2(1)","1509","High Reliability","-"]
[4269,"OCC1C(CO)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl\n\n\n","OCC1C(CO)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl","OCC1C(CO)C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl","",1,"Endosulfan diol(1)","2157-19-9(1)","3107","Medium Reliability","Stereochemistry removed"]
[4270,"Cc1cnnc2c1cccc2O\nCc1cnnc2c(O)cccc12\n\n","Cc1cnnc2c1cccc2O","Oc2cccc1c2(nncc1C)","",1,"8-Cinnolinol, 4-methyl-(1)","17056-96-1(1)","4131","Medium Reliability","-"]
[4271,"Cc1c2cccc(O)c2ncn1\n\n\n","Oc1cccc2c1ncnc2C","Oc2cccc1c2(ncnc1C)","",1,"8-Quinazolinol, 4-methyl-(1)","99512-70-6(1)","5440","Medium Reliability","-"]
[4272,"O=C(CC#N)Nc1ccccc1\n\n\n","N#CCC(=O)Nc1ccccc1","N#CCC(=O)Nc1ccccc1","",1,"Acetamide, 2-cyano-N-phenyl-(1)","621-03-4(1)","2478","High Reliability","-"]
[4273,"Oc1cn(nc1)-c2ccccc2\n\n\n","Oc1cnn(c1)c1ccccc1","Oc1cnn(c1)c2ccccc2","",1,"1H-Pyrazol-4-ol, 1-phenyl-(1)","1076-60-4(1)","2815","Medium Reliability","-"]
[4274,"Cc1cc2c([nH]c(=O)c(=O)[nH]2)cc1\n\n\n","Cc1ccc2c(c1)[nH]c(=O)c(=O)[nH]2","O=C1Nc2ccc(cc2(NC1(=O)))C","",1,"2,3-Quinoxalinedione, 1,4-dihydro-6-methyl-(1)","6309-61-1(1)","3739","High Reliability","-"]
[4275,"OC(=N)C=Cc1ccccc1N(=O)=O\nNC(=O)C=Cc1ccccc1[N+]([O-])=O\n\n","OC(=N)C=Cc1ccccc1[N+](=O)[O-]","O=[N+]([O-])c1ccccc1(C=CC(=N)O)","",1,"2-Propenamide, 3-(2-nitrophenyl)-(1)","2001-33-4(1)","3062","Medium Reliability","-"]
[4276,"SC1=NCC(=O)N1c2ccccc2\nO=C1CNC(=S)N1c2ccccc2\n\n","O=C1CN=C(N1c1ccccc1)S","O=C2N(c1ccccc1)C(=NC2)S","",1,"4-Imidazolidinone, 3-phenyl-2-thioxo-(1)","2010-15-3(1)","3066","High Reliability","-"]
[4277,"O=C(Nc1cnns1)Nc2ccccc2\n\n\n","O=C(Nc1cnns1)Nc1ccccc1","O=C(Nc1ccccc1)Nc2cnns2","",1,"THIDIAZURON(1)","51707-55-2(1)","4819","High Reliability","-"]
[4278,"O=CC=Cc1ccccc1\n\n\n","O=CC=Cc1ccccc1","O=CC=Cc1ccccc1","",1,"3-PHENYL-2-PROPENAL(1)","104-55-2(1)","955","High Reliability","Stereochemistry removed"]
[4279,"CC(=O)C(=O)c1ccccc1\n\n\n","O=C(c1ccccc1)C(=O)C","O=C(c1ccccc1)C(=O)C","",1,"1,2-Propanedione, 1-phenyl-(1)","579-07-7(1)","2218","High Reliability","-"]
[4280,"OC(=O)C(=C)c1ccccc1\n\n\n","C=C(c1ccccc1)C(=O)O","O=C(O)C(=C)c1ccccc1","",1,"Atropic acid(1)","492-38-6(1)","1881","High Reliability","-"]
[4281,"O=CC(=O)Cc1ccccc1\n\n\n","O=CC(=O)Cc1ccccc1","O=CC(=O)Cc1ccccc1","",1,"Benzenepropanal, .alpha.-oxo-(1)","56485-04-2(1)","4931","Medium Reliability","-"]
[4282,"OC(=O)C=Cc1ccccc1\n\n\n","OC(=O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1","",2,"2-PROPENOIC ACID, 3-PHENYL-, (E)-(1), CINNAMIC ACID(1)","140-10-3(1), 621-82-9(1)","1552, 2483","High Reliability","Stereochemistry removed"]
[4283,"O=C1CCc2c(O1)cccc2\n\n\n","O=C1CCc2c(O1)cccc2","O=C2Oc1ccccc1CC2","",1,"2H-1-Benzopyran-2-one, 3,4-dihydro-(1)","119-84-6(1)","1346","High Reliability","-"]
[4284,"O=CCc1cc2c(OCO2)cc1\n\n\n","O=CCc1ccc2c(c1)OCO2","O=CCc1ccc2OCOc2(c1)","",1,"1,3-Benzodioxole-5-acetaldehyde(1)","6543-34-6(1)","3765","High Reliability","-"]
[4285,"CC(=O)c1cc(C(O)=O)c(O)cc1\nCC(=O)c1ccc(O)c(c1)C(O)=O\nCC(=O)c1ccc(O)c(c1)C([O-])=O\n","CC(=O)c1ccc(c(c1)C(=O)O)O","O=C(O)c1cc(ccc1(O))C(=O)C","",1,"Benzoic acid, 5-acetyl-2-hydroxy-(1)","13110-96-8(1)","3953","High Reliability","-"]
[4286,"CC(=O)Oc1c(cccc1)C(O)=O\nCC(=O)Oc1ccccc1C(O)=O\n\n","CC(=O)Oc1ccccc1C(=O)O","O=C(O)c1ccccc1(OC(=O)C)","",1,"ACETYLSALICYLIC ACID(1)","50-78-2(1)","31","High Reliability","-"]
[4287,"CC(=O)OOC(=O)c1ccccc1\n\n\n","O=C(c1ccccc1)OOC(=O)C","O=C(OOC(=O)C)c1ccccc1","",1,"ACETYL BENZOYL PEROXIDE(1)","644-31-5(1)","2610","High Reliability","-"]
[4288,"OC(=O)Cc1ccc(cc1)C(O)=O\n\n\n","OC(=O)Cc1ccc(cc1)C(=O)O","O=C(O)c1ccc(cc1)CC(=O)O","",1,"BENZENEACETIC ACID, 4-CARBOXY-(1)","501-89-3(1)","1917","High Reliability","-"]
[4289,"OC(=O)Cc1cc(ccc1)C(O)=O\nOC(=O)Cc1cccc(c1)C(O)=O\n\n","OC(=O)Cc1cccc(c1)C(=O)O","O=C(O)c1cccc(c1)CC(=O)O","",1,"M-CARBOXYPHENYLACETIC ACID(1)","2084-13-1(1)","3092","Medium Reliability","-"]
[4290,"OC(=O)Cc1c(cccc1)C(O)=O\nOC(=O)Cc1ccccc1C(O)=O\n\n","OC(=O)Cc1ccccc1C(=O)O","O=C(O)c1ccccc1CC(=O)O","",1,"Benzeneacetic acid, 2-carboxy-(1)","89-51-0(1)","631","High Reliability","-"]
[4291,"COc1c(cc(cc1)C(O)=O)C(O)=O\n\n\n","COc1ccc(cc1C(=O)O)C(=O)O","O=C(O)c1ccc(OC)c(c1)C(=O)O","",1,"1,3-Benzenedicarboxylic acid, 4-methoxy-(1)","2206-43-1(1)","3124","High Reliability","-"]
[4292,"COc1c(ccc(c1)C(O)=O)C(O)=O\n\n\n","COc1cc(ccc1C(=O)O)C(=O)O","O=C(O)c1ccc(C(=O)O)c(OC)c1","",1,"1,4-Benzenedicarboxylic acid, 2-methoxy-(1)","5156-00-3(1)","3571","High Reliability","-"]
[4293,"COc1c(cccc1C(O)=O)C(O)=O\n\n\n","COc1c(cccc1C(=O)O)C(=O)O","O=C(O)c1cccc(C(=O)O)c1(OC)","",1,"1,3-Benzenedicarboxylic acid, 2-methoxy-(1)","1951-38-8(1)","3045","Medium Reliability","-"]
[4294,"NC(Cc1cc(Br)c(O)c(Br)c1)C(O)=O\n\n\n","OC(=O)C(Cc1cc(Br)c(c(c1)Br)O)N","O=C(O)C(N)Cc1cc(c(O)c(c1)Br)Br","",1,"L-Tyrosine, 3,5-dibromo-(1)","300-38-9(1)","1702","High Reliability","Checked on PubChem, Checked on ChemID, Stereochemistry removed"]
[4295,"CCC(=O)Nc1ccc(Cl)c(Cl)c1\n\n\n","CCC(=O)Nc1ccc(c(c1)Cl)Cl","O=C(Nc1ccc(c(c1)Cl)Cl)CC","",1,"PROPANIL(1)","709-98-8(1)","2654","High Reliability","-"]
[4296,"CNC(=O)OCc1cc(Cl)c(Cl)cc1\nCNC(=O)OCc1ccc(Cl)c(Cl)c1\n\n","CNC(=O)OCc1ccc(c(c1)Cl)Cl","O=C(OCc1ccc(c(c1)Cl)Cl)NC","",1,"3,4-DICHLOROBENZYL METHYLCARBAMATE(1)","1966-58-1(1)","3051","High Reliability","-"]
[4297,"NC(Cc1cc(Cl)c(O)c(Cl)c1)C(O)=O\n\n\n","OC(=O)C(Cc1cc(Cl)c(c(c1)Cl)O)N","O=C(O)C(N)Cc1cc(c(O)c(c1)Cl)Cl","",1,"L-Tyrosine, 3,5-dichloro-(1)","15106-62-4(1)","4054","High Reliability","Stereochemistry removed"]
[4298,"CCOC(=O)c1cc(Cl)c(O)cc1\nCCOC(=O)c1ccc(O)c(Cl)c1\n\n","CCOC(=O)c1ccc(c(c1)Cl)O","O=C(OCC)c1ccc(O)c(c1)Cl","",1,"Benzoic acid, 3-chloro-4-hydroxy-, ethyl ester(1)","16357-41-8(1)","4100","Medium Reliability","-"]
[4299,"CC(Oc1cc(Cl)ccc1)C(O)=O\n\n\n","OC(=O)C(Oc1cccc(c1)Cl)C","O=C(O)C(Oc1cccc(c1)Cl)C","",1,"Cloprop(1)","101-10-0(1)","904","High Reliability","-"]
[4300,"CC(Oc1ccc(Cl)cc1)C(O)=O\n\n\n","CC(C(=O)O)Oc1ccc(cc1)Cl","O=C(O)C(Oc1ccc(cc1)Cl)C","",1,"2-(P-CHLOROPHENOXY)PROPIONIC ACID(1)","3307-39-9(1)","3366","High Reliability","-"]
[4301,"CC(Oc1ccccc1Cl)C(O)=O\n\n\n","OC(=O)C(Oc1ccccc1Cl)C","O=C(O)C(Oc1ccccc1Cl)C","",1,"2-(2-Chlorophenoxy)propanoic acid(1)","76466-16-5(1)","5228","Medium Reliability","-"]
[4302,"Cc1c(OCC(O)=O)ccc(Cl)c1\n\n\n","OC(=O)COc1ccc(cc1C)Cl","O=C(O)COc1ccc(cc1C)Cl","",1,"2-METHYL-4-CHLOROPHENOXYACETIC ACID(1)","94-74-6(1)","729","High Reliability","-"]
[4303,"OCc1c(OCC(O)=O)ccc(Cl)c1\n\n\n","OCc1cc(Cl)ccc1OCC(=O)O","O=C(O)COc1ccc(cc1CO)Cl","",1,"Cloxyfonac(1)","6386-63-6(1)","3750","Medium Reliability","-"]
[4304,"NC(Cc1cc(I)c(O)c(I)c1)C(O)=O\n\n\n","OC(=O)C(Cc1cc(I)c(c(c1)I)O)N","O=C(O)C(N)Cc1cc(c(O)c(c1)I)I","",2,"3,5-DIIODOTYROSINE(1), 3,5-Diiodo-L-tyrosine(1)","66-02-4(1), 300-39-0(1)","241, 1703","High Reliability","Stereochemistry removed"]
[4305,"CCOC(=O)c1cc(I)c(O)cc1\nCCOC(=O)c1ccc(O)c(I)c1\n\n","CCOC(=O)c1ccc(c(c1)I)O","O=C(OCC)c1ccc(O)c(c1)I","",1,"Benzoic acid, 4-hydroxy-3-iodo-, ethyl ester(1)","15126-07-5(1)","4057","Medium Reliability","-"]
[4306,"Cc1c[nH]c2c1cccc2\n\n\n","Cc1c[nH]c2c1cccc2","c1ccc2c(c1)[nH]cc2C","",1,"3-METHYLINDOLE(1)","83-34-1(1)","522","High Reliability","-"]
[4307,"Cn1c(=O)[nH]n(c1=O)-c2ccccc2\n\n\n","O=c1n([nH]c(=O)n1C)c1ccccc1","O=C2NN(c1ccccc1)C(=O)N2C","",1,"1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-(1)","14500-23-3(1)","4038","High Reliability","-"]
[4308,"Nc1ncc(s1)S(=O)(=O)c2ccc(N)cc2\n\n\n","Nc1ccc(cc1)S(=O)(=O)c1cnc(s1)N","O=S(=O)(c1ccc(N)cc1)c2cnc(N)s2","",1,"Thiazolsulfone(1)","473-30-3(1)","1830","Medium Reliability","-"]
[4309,"Nc1ccc(cc1)S(=O)(=O)Nc2nccs2\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1nccs1","O=S(=O)(Nc1nccs1)c2ccc(N)cc2","",1,"SULFATHIAZOLE(1)","72-14-0(1)","289","High Reliability","-"]
[4310,"Nc1ccc(cc1)S(=O)(=O)Nc2ncco2\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1ncco1","O=S(=O)(Nc1ncco1)c2ccc(N)cc2","",1,"Benzenesulfonamide, 4-amino-N-2-oxazolyl-(1)","17103-51-4(1)","4140","Medium Reliability","-"]
[4311,"NC(Cc1cc(c(O)c(c1)N(=O)=O)N(=O)=O)C(O)=O\nNC(Cc1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O)C(O)=O\n\n","OC(=O)C(Cc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O)N","O=C(O)C(N)Cc1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-]","",1,"3,5-dinitro-L-tyrosine(1)","17360-11-1(1)","4152","High Reliability","Stereochemistry removed"]
[4312,"CNC(=O)Nc1nc2ccccc2s1\n\n\n","CNC(=O)Nc1nc2c(s1)cccc2","O=C(Nc2nc1ccccc1s2)NC","",1,"Benzthiazuron(1)","1929-88-0(1)","3040","High Reliability","-"]
[4313,"Nc1nc(nc(N)n1)-c2ccccc2\n\n\n","Nc1nc(N)nc(n1)c1ccccc1","n1c(nc(nc1N)c2ccccc2)N","",1,"BENZOGUANAMINE(1)","91-76-9(1)","676","High Reliability","-"]
[4314,"CN1C(=O)COc2ccccc12\n\n\n","O=C1COc2c(N1C)cccc2","O=C1N(c2ccccc2(OC1))C","",1,"2H-1,4-Benzoxazin-3(4H)-one, 4-methyl-(1)","21744-84-3(1)","4302","High Reliability","-"]
[4315,"CC1OC(=O)c2c1ccc(N)c2\nCC1OC(=O)c2cc(N)ccc12\n\n","Nc1ccc2c(c1)C(=O)OC2C","O=C1OC(c2ccc(N)cc12)C","",1,"1(3H)-Isobenzofuranone, 6-amino-3-methyl-(1)","118343-31-0(1)","5624","Medium Reliability","-"]
[4316,"CC(=O)C(=O)Nc1ccccc1\n\n\n","O=C(C(=O)C)Nc1ccccc1","O=C(Nc1ccccc1)C(=O)C","",1,"Propanamide, 2-oxo-N-phenyl-(1)","46114-86-7(1)","4771","High Reliability","-"]
[4317,"NC(=O)COC(=O)c1ccccc1\n\n\n","O=C(c1ccccc1)OCC(=O)N","O=C(OCC(=O)N)c1ccccc1","",1,"ACETAMIDE, 2-(BENZOYLOXY)-(1)","64649-43-0(1)","5041","Medium Reliability","-"]
[4318,"OC(=O)CNC(=O)c1ccccc1\n\n\n","O=C(c1ccccc1)NCC(=O)O","O=C(O)CNC(=O)c1ccccc1","",1,"HIPPURIC ACID(1)","495-69-2(1)","1889","High Reliability","-"]
[4319,"CCC(=O)Oc1ccc(cc1)[N+]([O-])=O\n\n\n","CCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","O=C(Oc1ccc(cc1)[N+](=O)[O-])CC","",1,"Propanoic acid, 4-nitrophenyl ester(1)","1956-06-5(1)","3046","High Reliability","-"]
[4320,"Cc1nc(C)c(cc1C(O)=O)C(O)=O\n\n\n","OC(=O)c1cc(C(=O)O)c(nc1C)C","O=C(O)c1cc(C(=O)O)c(nc1C)C","",1,"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-(1)","2602-36-0(1)","3253","High Reliability","-"]
[4321,"COc1c(OC)c(c(cc1)C(O)=O)[N+]([O-])=O\nCOc1ccc(C(O)=O)c(c1OC)[N+]([O-])=O\n\n","COc1ccc(c(c1OC)[N+](=O)[O-])C(=O)O","O=C(O)c1ccc(OC)c(OC)c1[N+](=O)[O-]","",1,"Benzoic acid, 3,4-dimethoxy-2-nitro-(1)","79025-28-8(1)","5250","Medium Reliability","-"]
[4322,"COc1c(OC)cc(c(c1)C(O)=O)[N+]([O-])=O\nCOc1cc(C(O)=O)c(cc1OC)[N+]([O-])=O\nCOc1cc(C([O-])=O)c(cc1OC)[N+]([O-])=O\n","COc1cc([N+](=O)[O-])c(cc1OC)C(=O)O","O=C(O)c1cc(OC)c(OC)cc1[N+](=O)[O-]","",1,"Benzoic acid, 4,5-dimethoxy-2-nitro-(1)","4998-07-6(1)","3556","High Reliability","-"]
[4323,"S=C=NCCc1ccccc1\nCCc1ccccc1N=C=S\n\n","S=C=NCCc1ccccc1","C(=NCCc1ccccc1)=S","",1,"2-phenethylisothiocyanate(1)","2257-09-2(1)","3147","Medium Reliability","Name verified in PubChem"]
[4324,"BrC(Br)(Br)Br\n\n\n","BrC(Br)(Br)Br","C(Br)(Br)(Br)Br","",1,"CARBON TETRABROMIDE(1)","558-13-4(1)","2169","High Reliability","-"]
[4325,"FC(F)(F)Br\n\n\n","FC(Br)(F)F","FC(F)(F)Br","",1,"BROMOTRIFLUOROMETHANE(1)","75-63-8(1)","357","High Reliability","-"]
[4326,"[O-][N+](=O)C(Br)([N+]([O-])=O)[N+]([O-])=O\n\n\n","BrC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])Br","",1,"METHANE, BROMOTRINITRO-(1)","560-95-2(1)","2173","High Reliability","-"]
[4327,"FC(F)(Cl)Cl\n\n\n","FC(Cl)(Cl)F","FC(F)(Cl)Cl","",1,"DICHLORODIFLUOROMETHANE(1)","75-71-8(1)","362","High Reliability","-"]
[4328,"FC(Cl)(Cl)Cl\n\n\n","FC(Cl)(Cl)Cl","FC(Cl)(Cl)Cl","",1,"TRICHLOROFLUOROMETHANE(1)","75-69-4(1)","361","High Reliability","-"]
[4329,"[O-][N+](=O)C(Cl)(Cl)Cl\n\n\n","ClC([N+](=O)[O-])(Cl)Cl","O=[N+]([O-])C(Cl)(Cl)Cl","",1,"TRICHLORONITROMETHANE(1)","76-06-2(1)","384","High Reliability","-"]
[4330,"ClC(Cl)(Cl)Cl\n\n\n","ClC(Cl)(Cl)Cl","C(Cl)(Cl)(Cl)Cl","",1,"CARBON TETRACHLORIDE(1)","56-23-5(1)","90","High Reliability","-"]
[4331,"FC(F)(F)Cl\n\n\n","FC(Cl)(F)F","FC(F)(F)Cl","",1,"CHLOROTRIFLUOROMETHANE(1)","75-72-9(1)","363","High Reliability","-"]
[4332,"ClC#N\n\n\n","ClC#N","N#CCl","",1,"CYANOGEN CHLORIDE(1)","506-77-4(1)","1937","High Reliability","-"]
[4333,"[O-][N+](=O)C(Cl)([N+]([O-])=O)[N+]([O-])=O\n\n\n","ClC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])Cl","",1,"Chlorotrinitromethane(1)","1943-16-4(1)","3042","High Reliability","-"]
[4334,"FC(F)(F)F\n\n\n","FC(F)(F)F","FC(F)(F)F","",1,"TETRAFLUOROMETHANE(1)","75-73-0(1)","364","High Reliability","-"]
[4335,"BrCBr\n\n\n","BrCBr","C(Br)Br","",1,"DIBROMOMETHANE(1)","74-95-3(1)","317","High Reliability","-"]
[4336,"ClCBr\n\n\n","ClCBr","C(Cl)Br","",1,"CHLOROBROMOMETHANE(1)","74-97-5(1)","319","High Reliability","-"]
[4337,"ClCCl\n\n\n","ClCCl","C(Cl)Cl","",1,"DICHLOROMETHANE(1)","75-09-2(1)","329","High Reliability","-"]
[4338,"FCCl\n\n\n","FCCl","FCCl","",1,"CHLOROFLUOROMETHANE(1)","593-70-4(1)","2321","High Reliability","-"]
[4339,"[O-][N+](=O)CCl\n\n\n","[O-][N+](=O)CCl","O=[N+]([O-])CCl","",1,"Methane, chloronitro-(1)","1794-84-9(1)","2987","High Reliability","-"]
[4340,"ICI\n\n\n","ICI","C(I)I","",1,"METHYLENE IODIDE(1)","75-11-6(1)","330","High Reliability","-"]
[4341,"NC#N\n\n\n","NC#N","N#CN","",1,"CYANAMIDE(1)","420-04-2(1)","1775","High Reliability","-"]
[4342,"C=O\n\n\n","C=O","O=C","",1,"FORMALDEHYDE(1)","50-00-0(1)","1","Medium Reliability","-"]
[4343,"OC=O\n[Na+].[O-]C=O\n[K+].OC=O.[O-]C=O\n[K+].[O-]C=O","OC=O","O=CO","",3,"FORMIC ACID(1), Sodium Formate(1), Potassium Formate(1)","64-18-6(1), 141-53-7(1), 590-29-4(1)","226, 1566, 2288","High Reliability","Differences in counterions, Organic counterion"]
[4344,"CBr\n\n\n","CBr","CBr","",1,"METHYL BROMIDE(1)","74-83-9(1)","308","Medium Reliability","-"]
[4345,"CCl\n\n\n","CCl","CCl","",1,"METHYL CHLORIDE(1)","74-87-3(1)","312","High Reliability","-"]
[4346,"NC(=O)NCl\n\n\n","NC(=O)NCl","O=C(N)NCl","",1,"Urea, chloro-(1)","3135-74-8(1)","3334","Medium Reliability","-"]
[4347,"OS(=O)(=O)C(Cl)S(O)(=O)=O\n\n\n","ClC(S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)C(Cl)S(=O)(=O)O","",1,"Methanedisulfonic acid, chloro-(1)","74692-14-1(1)","5210","Medium Reliability","-"]
[4348,"OS(=O)(=O)C(Cl)(S(O)(=O)=O)S(O)(=O)=O\n\n\n","ClC(S(=O)(=O)O)(S(=O)(=O)O)S(=O)(=O)O","O=S(=O)(O)C(Cl)(S(=O)(=O)O)S(=O)(=O)O","",1,"Methanetrisulfonic acid, chloro-(1)","76371-36-3(1)","5223","Medium Reliability","-"]
[4349,"CF\n\n\n","CF","FC","",1,"FLUOROMETHANE(1)","593-53-3(1)","2319","High Reliability","-"]
[4350,"CS(F)(=O)=O\n\n\n","CS(=O)(=O)F","O=S(=O)(F)C","",1,"FLUOROMETHYL SULFONE(1)","558-25-8(1)","2170","High Reliability","-"]
[4351,"CI\n\n\n","CI","CI","",1,"METHYL IODIDE(1)","74-88-4(1)","313","High Reliability","-"]
[4352,"Nc1nnn[nH]1\nNc1n[nH]nn1\n\n","Nc1nnn[nH]1","n1n[nH]c(n1)N","",1,"5-AMINO-1H-TETRAZOLE(1)","4418-61-5(1)","3493","High Reliability","-"]
[4353,"NC=O\n\n\n","NC=O","O=CN","",1,"FORMAMIDE(1)","75-12-7(1)","331","High Reliability","-"]
[4354,"C[N+]([O-])=O\n\n\n","[O-][N+](=O)C","O=[N+]([O-])C","",1,"NITROMETHANE(1)","75-52-5(1)","353","High Reliability","-"]
[4355,"C\n\n\n","C","C","",1,"METHANE(1)","74-82-8(1)","307","High Reliability","-"]
[4356,"CNCl\n\n\n","CNCl","N(C)Cl","",1,"Methanamine, N-chloro-(1)","6154-14-9(1)","3707","High Reliability","-"]
[4357,"NC(N)=O\n\n\n","NC(=O)N","O=C(N)N","",1,"UREA(1)","57-13-6(1)","119","High Reliability","-"]
[4358,"NC(=O)NO\n\n\n","NC(=O)NO","O=C(N)NO","",1,"HYDROXYUREA(1)","127-07-1(1)","1468","High Reliability","-"]
[4359,"NC(N)=S\n\n\n","NC(=S)N","NC(N)=S","",1,"THIOUREA(1)","62-56-6(1)","210","High Reliability","-"]
[4360,"NC(=N)N[N+]([O-])=O\nNC(N)=N[N+]([O-])=O\n\n","[O-][N+](=O)NC(=N)N","O=[N+]([O-])NC(=N)N","",1,"NITROGUANIDINE(1)","556-88-7(1)","2161","High Reliability","-"]
[4361,"CO\n\n\n","CO","OC","",1,"METHANOL(1)","67-56-1(1)","250","High Reliability","-"]
[4362,"CS(O)(=O)=O\n\n\n","CS(=O)(=O)O","O=S(=O)(O)C","",1,"METHANESULFONIC ACID(1)","75-75-2(1)","365","High Reliability","-"]
[4363,"OS(=O)(=O)CS(O)(=O)=O\n[Ca+2].[O-]S(=O)(=O)CS([O-])(=O)=O\n\n","OS(=O)(=O)CS(=O)(=O)O","O=S(=O)(O)CS(=O)(=O)O","",2,"METHANEDISULFONIC ACID(1), Calcium Methionate(1)","503-40-2(1), 819-17-0(1)","1924, 2697","High Reliability","-"]
[4364,"CS\n\n\n","CS","CS","",1,"METHANETHIOL(1)","74-93-1(1)","316","High Reliability","-"]
[4365,"CN\n\n\n","CN","NC","",1,"METHYLAMINE(1)","74-89-5(1)","314","High Reliability","-"]
[4366,"NC(N)=N\n[H+].[Cl-].NC(N)=N\n\n","NC(=N)N","N=C(N)N","",1,"GUANIDINE(1)","113-00-8(1)","1268","High Reliability","Differences in counterions"]
[4367,"NNC(N)=S\n\n\n","NNC(=S)N","NNC(N)=S","",1,"THIOSEMICARBAZIDE(1)","79-19-6(1)","469","High Reliability","-"]
[4368,"NNC(=N)N[N+]([O-])=O\n\n\n","[O-][N+](=O)NC(=N)NN","O=[N+]([O-])NC(=N)NN","",1,"Hydrazinecarboximidamide, N-nitro-(1)","18264-75-0(1)","4188","Medium Reliability","-"]
[4369,"CP(O)(O)=O\n\n\n","CP(=O)(O)O","O=P(O)(O)C","",1,"METHYLPHOSPHONIC ACID(1)","993-13-5(1)","2785","High Reliability","-"]
[4370,"CC(CCl)OC(C)CCl\n\n\n","C([2H])[I]P","[ERROR]","Conversion from SMILES: unable to generate SMILES string (Unable to run canonical labeler for the SMILES (For input string: \"125300-1\"))",1,"DCIP  (2,2'-OXYBIS-1-CHLOROPROPANE)(1)","108-60-1(1)","1091","Medium Reliability","-"]
[4371,"CNN\n\n\n","CNN","NNC","",1,"METHYL HYDRAZINE(1)","60-34-4(1)","188","High Reliability","-"]
[4372,"ClC(Br)Br\n\n\n","ClC(Br)Br","C(Cl)(Br)Br","",1,"DIBROMOCHLOROMETHANE(1)","124-48-1(1)","1447","High Reliability","-"]
[4373,"BrC(Br)Br\n\n\n","BrC(Br)Br","C(Br)(Br)Br","",1,"BROMOFORM(1)","75-25-2(1)","337","High Reliability","-"]
[4374,"ClC(Cl)Br\n\n\n","ClC(Br)Cl","C(Cl)(Cl)Br","",1,"BROMODICHLOROMETHANE(1)","75-27-4(1)","339","High Reliability","-"]
[4375,"FC(Cl)Cl\n\n\n","FC(Cl)Cl","FC(Cl)Cl","",1,"DICHLOROFLUOROMETHANE(1)","75-43-4(1)","348","High Reliability","-"]
[4376,"ClC(Cl)Cl\n\n\n","ClC(Cl)Cl","C(Cl)(Cl)Cl","",1,"CHLOROFORM(1)","67-66-3(1)","253","High Reliability","-"]
[4377,"FC(F)Cl\n\n\n","FC(Cl)F","FC(F)Cl","",1,"CHLORODIFLUOROMETHANE(1)","75-45-6(1)","349","High Reliability","-"]
[4378,"FC(F)F\n\n\n","FC(F)F","FC(F)F","",1,"TRIFLUOROMETHANE(1)","75-46-7(1)","350","High Reliability","-"]
[4379,"IC(I)I\n\n\n","IC(I)I","C(I)(I)I","",1,"IODOFORM(1)","75-47-8(1)","351","High Reliability","-"]
[4380,"C#N\n\n\n","C#N","N#C","",1,"HYDROCYANIC ACID(1)","74-90-8(1)","315","High Reliability","-"]
[4381,"[K+].[O-]C#N\n\n\n","OC#N","N#CO","",1,"POTASSIUM CYANATE(1)","590-28-3(1)","2287","High Reliability","-"]
[4382,"[NH4+].[S-]C#N\n\n\n","SC#N","N#CS","",1,"THIOCYANIC ACID, AMMONIUM SALT(1)","1762-95-4(1)","2984","High Reliability","-"]
[4383,"IC#N\n\n\n","IC#N","N#CI","",1,"Iodine cyanide(1)","506-78-5(1)","1938","High Reliability","-"]
[4384,"[O-][N+](=O)C([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","",1,"TETRANITROMETHANE(1)","509-14-8(1)","1944","High Reliability","-"]
[4385,"O=C=O\n\n\n","O=C=O","O=C=O","",1,"CARBON DIOXIDE(1)","124-38-9(1)","1445","High Reliability","-"]
[4386,"S=C=S\n\n\n","S=C=S","C(=S)=S","",1,"CARBON DISULFIDE(1)","75-15-0(1)","332","High Reliability","-"]
[4387,"CCC(=O)OCc1c(Cl)cc(Cl)cc1\nCCC(O)=O.OCc1ccc(Cl)cc1Cl\nCCC(=O)OCc1ccc(Cl)cc1Cl\n","CCC(=O)OCc1ccc(cc1Cl)Cl","O=C(OCc1ccc(cc1Cl)Cl)CC","",1,"benzenemethanol,2,4-dichloro-,propanoate(1)","85262-94-8(1)","5304","High Reliability","Manual Check passed"]
[4388,"Cc1cc(=O)n([nH]1)-c2ccccc2\n\n\n","Cc1[nH]n(c(=O)c1)c1ccccc1","O=C1C=C(NN1c2ccccc2)C","",1,"3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-phenyl-(1)","55774-20-4(1)","4922","Medium Reliability","Manual Check passed"]
[4389,"CC(=O)OC(C(O)=O)c1ccccc1\n\n\n","OC(=O)C(c1ccccc1)OC(=O)C","O=C(O)C(OC(=O)C)c1ccccc1","",1,"BENZENEACETIC ACID, .alpha.-(ACETYLOXY)-, (R)-(1)","51019-43-3(1)","4794","Medium Reliability","Manual Check passed"]
[4390,"OC(=O)CSC(C(O)=O)c1ccccc1\n\n\n","OC(=O)C(c1ccccc1)SCC(=O)O","O=C(O)CSC(C(=O)O)c1ccccc1","",1,"benzeneaceticacid,.alpha.-[(carboxymethyl)thio(1)","13330-93-3(1)","3969","Medium Reliability","Manual Check passed"]
[4391,"OCCOC(=O)c1ccccc1C(O)=O\n\n\n","OCCOC(=O)c1ccccc1C(=O)O","O=C(O)c1ccccc1(C(=O)OCCO)","",1,"1,2-Benzenedicarboxylic acid, mono(2-hydroxyethy(1)","17689-42-8(1)","4165","Medium Reliability","Manual Check passed"]
[4392,"CCCOC(=O)c1cc(I)c(O)cc1\nCCCOC(=O)c1ccc(O)c(I)c1\n\n","CCCOC(=O)c1ccc(c(c1)I)O","O=C(OCCC)c1ccc(O)c(c1)I","",1,"Benzoic acid, 4-hydroxy-3-iodo-, propyl ester(1)","15126-08-6(1)","4058","High Reliability","Manual Check passed"]
[4393,"CN(c1nccs1)S(=O)(=O)c2ccc(N)cc2\n\n\n","Nc1ccc(cc1)S(=O)(=O)N(c1nccs1)C","O=S(=O)(c1ccc(N)cc1)N(c2nccs2)C","",1,"Benzenesulfonamide, 4-amino-N-methyl-N-2-thiazol(1)","51203-19-1(1)","4802","Medium Reliability","Manual Check passed"]
[4394,"OC(=O)CCNC(=O)Nc1ccc(cc1)[N+]([O-])=O\n[Na+].[O-]C(=O)CCNC(=O)Nc1ccc(cc1)[N+]([O-])=O\n\n","O=C(Nc1ccc(cc1)[N+](=O)[O-])NCCC(=O)O","O=C(O)CCNC(=O)Nc1ccc(cc1)[N+](=O)[O-]","",1,"beta-alanine,n-[[(4-nitrophenyl)amino]carbonyl](1)","102-66-9(1)","919","Medium Reliability","Manual Check passed"]
[4395,"COC(=O)CNC(=O)c1ccccc1\n\n\n","COC(=O)CNC(=O)c1ccccc1","O=C(OC)CNC(=O)c1ccccc1","",1,"methyln-benzoglycine(1)","1205-08-9(1)","2874","Medium Reliability","Manual Check passed"]
[4396,"CCOC(=O)C(NC=O)=Cc1cocc1\n\n\n","O=CNC(=Cc1cocc1)C(=O)OCC","O=CNC(=Cc1cocc1)C(=O)OCC","",1,"Ethyl 2-formamido-(furan-3-yl)acrylate(1)","336111-18-3(1)","5754","Medium Reliability","Manual Check passed"]
[4397,"COP(=S)(OC)SCn1nnc2ccccc2c1=O\n\n\n","COP(=S)(SCn1nnc2c(c1=O)cccc2)OC","O=C1c2ccccc2(N=NN1CSP(OC)(OC)=S)","",1,"METHYL AZINPHOS(1)","86-50-0(1)","569","Medium Reliability","Manual Check passed"]
[4398,"CCOc1nc(ns1)C(Cl)(Cl)Cl\nCCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1\n[H-].[Na+].CCc1sc(NS(=O)(=O)c2ccc(N)cc2)nn1\n","CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)N","O=S(=O)(Nc1nnc(CC)s1)c2ccc(N)cc2","",1,"ethazole(1)","94-19-9(1)","721","High Reliability","Manual Check passed"]
[4399,"CC(=O)Nc1nc(=O)c2c([nH]1)n(COCCO)cn2\n\n\n","CC(=O)Nc1nc(=O)c2c([nH]1)n(COCCO)cn2","O=C2N=C(NC(=O)C)Nc1c2(ncn1COCCO)","",1,"ACETAMIDE, N-[6,9-DIHYDRO-9-[(2-HYDROXYETHOXY)ME(1)","110104-37-5(1)","5557","Medium Reliability","Manual Check passed"]
[4400,"CNC(=O)Oc1cc(C)c(C)cc1\n\n\n","CNC(=O)Oc1ccc(c(c1)C)C","O=C(Oc1ccc(c(c1)C)C)NC","",1,"3,4-dimephenyln-methylcarbamate(1)","2425-10-7(1)","3200","Medium Reliability","Manual Check passed"]
[4401,"CNC(=O)Oc1cc(C)cc(C)c1\n\n\n","CNC(=O)Oc1cc(C)cc(c1)C","O=C(Oc1cc(cc(c1)C)C)NC","",1,"n-me-3,5-dimethylphenylcarbamate(1)","2655-14-3(1)","3270","Medium Reliability","Manual Check passed"]
[4402,"CNC(=O)Oc1ccc(SC)c(C)c1\n\n\n","CNC(=O)Oc1ccc(c(c1)C)SC","O=C(Oc1ccc(c(c1)C)SC)NC","",1,"n-mecarbamate,3-me-4-mesphenyl(1)","3566-00-5(1)","3396","Medium Reliability","Manual Check passed"]
[4403,"COP(=S)(NC(C)C)Oc1c(Cl)cc(Cl)cc1\nCC1CC2C(CCC3(C)C2CCC3(OC(C)=O)C(C)=O)C4(C)CCC(=O)C=C14\n\n","COP(=S)(Oc1ccc(cc1Cl)Cl)NC(C)C","O(c1ccc(cc1Cl)Cl)P(OC)(NC(C)C)=S","",1,"dmpa(1)","299-85-4(1)","1699","High Reliability","Manual Check passed"]
[4404,"NS(=O)(=O)c1cc(F)c(SCCCCO)cc1\n\n\n","OCCCCSc1ccc(cc1F)S(=O)(=O)N","O=S(=O)(N)c1ccc(c(F)c1)SCCCCO","",1,"BENZENESULFONAMIDE, 3-FLUORO-4-[(4-HYDROXYBUTYL)(1)","108966-75-2(1)","5547","Medium Reliability","Manual Check passed"]
[4405,"CCNCNC(=O)c1ccccc1\n\n\n","CCNCNC(=O)c1ccccc1","O=C(NCNCC)c1ccccc1","",1,"N-(ETHYLAMINOMETHYL)BENZAMIDE(1)","52387-57-2(1)","4835","Medium Reliability","Manual Check passed"]
[4406,"CCCn1c(=O)n(C)c2c(n(C)cn2)c1=O\n\n\n","CCCn1c(=O)n(C)c2c(c1=O)n(C)cn2","O=C2c1c(ncn1C)N(C(=O)N2CCC)C","",1,"1h-purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(1)","63906-63-8(1)","5029","Medium Reliability","Manual Check passed"]
[4407,"CCc1nc2c(n1C)c(=O)n(C)c(=O)n2C\n\n\n","CCc1nc2c(n1C)c(=O)n(c(=O)n2C)C","O=C2c1c(nc(n1C)CC)N(C(=O)N2C)C","",1,"1h-purine-2,6-dione,8-ethyl-3,7-dihydro-1,3,7-t(1)","5426-50-6(1)","3606","Medium Reliability","Manual Check passed"]
[4408,"CC1(C)C2CC3C(C2)C13C(O)=O\n\n\n","OC(=O)C12C3C1CC(C2(C)C)C3","O=C(O)C23(C1CC(CC12)C3(C)(C))","",1,"Tricyclo[2.2.1.02,6]heptane-1-carboxylic acid, 7(1)","512-60-7(1)","1953","Medium Reliability","Manual Check passed"]
[4409,"Cc1ccccc1OCC(O)CO\n\n\n","OCC(COc1ccccc1C)O","OCC(O)COc1ccccc1C","",1,"1,2-propanediol-3-(2-tolyloxy)(1)","59-47-2(1)","169","Medium Reliability","Manual Check passed"]
[4410,"CNCC(C)c1ccccc1\n\n\n","CNCC(c1ccccc1)C","c1ccc(cc1)C(C)CNC","",1,"BENZENEETHANAMINE, N,b-DIMETHYL-(1)","93-88-9(1)","712","Medium Reliability","Manual Check passed"]
[4411,"CC1(C)C2CCC1(C)C(=O)NC2=O\n\n\n","O=C1NC(=O)C2(C(C1CC2)(C)C)C","O=C1NC(=O)C2(C)(CCC1C2(C)(C))","",1,"1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-di(1)","1972-03-8(1)","3054","Medium Reliability","Manual Check passed"]
[4412,"CCOC(=O)CNc1nc(NC(C)C)nc(Cl)n1\n\n\n","CCOC(=O)CNc1nc(Cl)nc(n1)NC(C)C","O=C(OCC)CNc1nc(nc(n1)Cl)NC(C)C","",1,"proglinazineethyl(1)","68228-18-2(1)","5108","Medium Reliability","Manual Check passed"]
[4413,"CCOP(=S)(OCC)Oc1ccc(N)cc1\n\n\n","CCOP(=S)(Oc1ccc(cc1)N)OCC","O(c1ccc(N)cc1)P(OCC)(OCC)=S","",1,"parathion-amino(1)","3735-01-1(1)","3424","Medium Reliability","Manual Check passed"]
[4414,"CC1(C)C2CCC1(C)C(=O)C2O\n\n\n","OC1C(=O)C2(C(C1CC2)(C)C)C","O=C1C(O)C2CCC1(C)C2(C)(C)","",1,"3-Hydroxycamphor(1)","10373-81-6(1)","3916","Medium Reliability","Manual Check passed"]
[4415,"CC1(C)C2CCC(C)(C2)C1O\n\n\n","OC1C2(C)CCC(C1(C)C)C2","OC2C(C)(C)C1CCC2(C)(C1)","",1,"(+)-fenchol(1)","2217-02-9(1)","3133","Medium Reliability","Manual Check passed"]
[4416,"CC(=C)C1CCC(C)(O)C(O)C1\n\n\n","CC(=C)C1CCC(C(C1)O)(C)O","OC1CC(C(=C)C)CCC1(O)(C)","",1,"1,2-cyclohexanediol,1-methyl-4-(1-methylethenyl(1)","1946-00-5(1)","3043","Medium Reliability","Manual Check passed"]
[4417,"SC(=O)CCCCCCCCC(S)=O\n\n\n","SC(=O)CCCCCCCCC(=O)S","O=C(CCCCCCCCC(=O)S)S","",1,"Decanebis(thioic) acid(1)","41476-09-9(1)","4750","Medium Reliability","Manual Check passed"]
[4418,"COCC(C)OCC(C)OCC(C)O\nCOC(C)COC(C)COC(C)CO\n\n","COCC(OCC(OCC(O)C)C)C","OC(C)COC(C)COC(C)COC","",1,"tripropyleneglycolmethylether(1)","20324-33-8(1)","4257","High Reliability","Manual Check passed"]
[4419,"CC(=O)OC(c1cc(Cl)c(Cl)cc1)C(Cl)(Cl)Cl\nCC(=O)OC(c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl\n\n","CC(=O)OC(C(Cl)(Cl)Cl)c1ccc(c(c1)Cl)Cl","O=C(OC(c1ccc(c(c1)Cl)Cl)C(Cl)(Cl)Cl)C","",1,"aceticacid,1-(3,4-dichlorophenyl)-2,2,2-trichl(1)","21757-82-4(1)","4303","Medium Reliability","Manual Check passed"]
[4420,"N#CCON=C(C#N)c1ccccc1\n\n\n","N#CC(=NOCC#N)c1ccccc1","N#CC(=NOCC#N)c1ccccc1","",1,"benzeneacetonitrile,alpha-((cyanomethoxy)imino)(1)","63278-33-1(1)","5022","Medium Reliability","Manual Check passed"]
[4421,"O=C(NOC(=O)c1occc1)c2occc2\n\n\n","O=C(c1ccco1)ONC(=O)c1ccco1","O=C(ONC(=O)c1occc1)c2occc2","",1,"2-Furancarboxamide, N-[(2-furanylcarbonyl)oxy]-(1)","76199-02-5(1)","5221","Medium Reliability","Manual Check passed"]
[4422,"ClC(Cl)(Cl)CC(=C)c1ccccc1\n\n\n","C=C(c1ccccc1)CC(Cl)(Cl)Cl","C=C(c1ccccc1)CC(Cl)(Cl)Cl","",1,"a-(2,2,2-trichloroethyl)styrene(1)","20057-31-2(1)","4249","Medium Reliability","Manual Check passed"]
[4423,"[O-][N+](=O)c1oc(C=CC=NN2CCOC2=O)cc1\n\n\n","O=C1OCCN1N=CC=Cc1ccc(o1)[N+](=O)[O-]","O=C2OCCN2(N=CC=Cc1oc(cc1)[N+](=O)[O-])","",1,"2-Oxazolidinone, 3-[[3-(5-nitro-2-furyl)allylide(1)","3318-78-3(1)","3367","Medium Reliability","Manual Check passed"]
[4424,"OC1CCn2c(=O)c3ccccc3nc12\n\n\n","OC1CCn2c1nc1ccccc1c2=O","O=C1c3ccccc3(N=C2N1CCC2(O))","",1,"PYRROLO[2,1-b]QUINAZOLIN-9(1H)-ONE,2,3-DIHYDRO-3(1)","486-64-6(1)","1863","Medium Reliability","Manual Check passed"]
[4425,"CC1(C(=O)NC(=O)NC1=O)c2ccccc2\n\n\n","O=C1NC(=O)NC(=O)C1(C)c1ccccc1","O=C2NC(=O)C(c1ccccc1)(C(=O)N2)C","",1,"barbituricacid,5-me-5-phenyl-(1)","76-94-8(1)","408","Medium Reliability","Manual Check passed"]
[4426,"NC(=S)Nc1c2ccccc2ccc1\nNC(=S)Nc1cccc2ccccc12\n\n","NC(=S)Nc1cccc2c1cccc2","NC(Nc2cccc1ccccc12)=S","",1,"n-1-napthylthiourea(1)","86-88-4(1)","579","Medium Reliability","Manual Check passed"]
[4427,"OC(=O)C1CC(=O)c2ccccc2C1\n\n\n","OC(=O)C1CC(=O)c2c(C1)cccc2","O=C(O)C2CC(=O)c1ccccc1C2","",1,"4-oxo-1,2,3,4-tetrahydro-<2>naphthoic acid(1)","6566-40-1(1)","3766","Medium Reliability","Manual Check passed"]
[4428,"Cc1nn(c(C)c1N=O)-c2ccccc2\n\n\n","O=Nc1c(C)nn(c1C)c1ccccc1","O=Nc2c(nn(c1ccccc1)c2C)C","",1,"1-ph-3,5-dime-4-nitrosopyrazole(1)","715-99-1(1)","2655","Medium Reliability","Manual Check passed"]
[4429,"Nc1ccc(cc1)S(=O)(=O)N=c2ccccn2O\n\n\n","Nc1ccc(cc1)S(=O)(=O)N=c1ccccn1O","O=S(=O)(N=C1C=CC=CN1(O))c2ccc(N)cc2","",1,"Benzenesulfonamide, 4-amino-N-2-pyridinyl-, N-ox(1)","19250-24-9(1)","4219","Medium Reliability","Manual Check passed"]
[4430,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2\n\n\n","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1","O=C(Nc1ccc(cc1)S(=O)(=O)Nc2nccs2)C","",1,"acetamide,n-[4-[(2-thiazolylamino)sulfonyl]phen(1)","127-76-4(1)","1480","Medium Reliability","Manual Check passed"]
[4431,"CC(=O)NC(=O)COC(=O)c1ccccc1\n\n\n","O=C(c1ccccc1)OCC(=O)NC(=O)C","O=C(OCC(=O)NC(=O)C)c1ccccc1","",1,"ACETAMIDE, N-ACETYL-2-(BENZOYLOXY)-(1)","68659-48-3(1)","5113","Medium Reliability","Manual Check passed"]
[4432,"CC1=NN(C(=O)CC1)c2ccccc2\n\n\n","O=C1CCC(=NN1c1ccccc1)C","O=C1N(N=C(C)CC1)c2ccccc2","",1,"3(2h)-pyridazinone,4,5-dihydro-6-methyl-2-pheny(1)","4578-58-9(1)","3510","Medium Reliability","Manual Check passed"]
[4433,"O=C1CCC(N1)C(=O)Nc2ccccc2\n\n\n","O=C(C1CCC(=O)N1)Nc1ccccc1","O=C2NC(C(=O)Nc1ccccc1)CC2","",1,"2-Pyrrolidinecarboxamide, 5-oxo-N-phenyl-(1)","5626-54-0(1)","3643","Medium Reliability","Manual Check passed"]
[4434,"OC1=NC(Cc2ccc(O)cc2)C(O)=NC1\n\n\n","Oc1ccc(cc1)CC1N=C(O)CN=C1O","Oc1ccc(cc1)CC2N=C(O)CN=C2(O)","",1,"2,5-Piperazinedione, 3-[(4-hydroxyphenyl)methyl](1)","5625-49-0(1)","3642","Medium Reliability","Manual Check passed"]
[4435,"NC(=O)CNC(=O)COC(=O)c1ccccc1\n\n\n","O=C(COC(=O)c1ccccc1)NCC(=O)N","O=C(OCC(=O)NCC(=O)N)c1ccccc1","",1,"ACETAMIDE, 2-[[(BENZOYLOXY)ACETYL]AMINO]-(1)","106231-53-2(1)","5505","Medium Reliability","Manual Check passed"]
[4436,"CC(C)C1OC(=O)c2ccccc12\n\n\n","CC(C1OC(=O)c2c1cccc2)C","O=C1OC(c2ccccc12)C(C)C","",1,"1(1H)-ISOBENZOFURANONE-3-I-PROPYL(1)","64002-57-9(1)","5033","Medium Reliability","Manual Check passed"]
[4437,"COc1ccc(cc1)C(=O)CCC(O)=O\n\n\n","COc1ccc(cc1)C(=O)CCC(=O)O","O=C(O)CCC(=O)c1ccc(OC)cc1","",1,"benzenebutanoicacid,4-methoxy-�-oxo-(1)","3153-44-4(1)","3340","Medium Reliability","Manual Check passed"]
[4438,"COC(=O)C1(CC1)S(=O)(=O)c2ccccc2\n\n\n","COC(=O)C1(CC1)S(=O)(=O)c1ccccc1","O=C(OC)C1(CC1)S(=O)(=O)c2ccccc2","",1,"methyl(1-phenylsulfonyl)cyclopropanecarboxyla(1)","97383-42-1(1)","5407","Medium Reliability","Manual Check passed"]
[4439,"CSCOC(=O)c1ccccc1OC(C)=O\n\n\n","CSCOC(=O)c1ccccc1OC(=O)C","O=C(OCSC)c1ccccc1(OC(=O)C)","",1,"benzoicacid,2-(acetyloxy)-,(methylthio)methyl(1)","76432-30-9(1)","5225","Medium Reliability","Manual Check passed"]
[4440,"OC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1\n\n\n","OC(=C1C(=O)CC(CC1=O)C(=O)O)C1CC1","O=C(O)C1CC(=O)C(C(=O)C1)=C(O)C2CC2","",1,"TRINEXAPAC(1)","104273-73-6(1)","5486","Medium Reliability","Manual Check passed"]
[4441,"CC(=O)Oc1ccccc1C(=O)OCS(C)=O\n\n\n","CS(=O)COC(=O)c1ccccc1OC(=O)C","O=C(OCS(=O)C)c1ccccc1(OC(=O)C)","",1,"BENZOIC ACID, 2-(ACETYLOXY)-, (METHYLSULFINYL)ME(1)","76432-33-2(1)","5226","High Reliability","Manual Check passed"]
[4442,"CC(=O)Oc1ccccc1C(=O)OCS(C)(=O)=O\n\n\n","CC(=O)Oc1ccccc1C(=O)OCS(=O)(=O)C","O=C(OCS(=O)(=O)C)c1ccccc1(OC(=O)C)","",1,"benzoicacid,2-(acetyloxy)-,(methylsulfonyl)me(1)","76432-35-4(1)","5227","Medium Reliability","Manual Check passed"]
[4443,"Cc1c(NS(=O)(=O)c2ccc(N)cc2)c(C)no1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1c(C)noc1C","O=S(=O)(Nc1c(noc1C)C)c2ccc(N)cc2","",1,"Benzenesulfonamide, 4-amino-N-(3,5-dimethyl-4-is(1)","64682-95-7(1)","5044","Medium Reliability","Manual Check passed"]
[4444,"CCCCOC(=O)c1ccc(N)cc1\n\n\n","CCCCOC(=O)c1ccc(cc1)N","O=C(OCCCC)c1ccc(N)cc1","",1,"butyl-p-aminobenzoate(1)","94-25-7(1)","724","Medium Reliability","Manual Check passed"]
[4445,"CNC(=O)Oc1cccc(c1)C(C)C\n\n\n","CNC(=O)Oc1cccc(c1)C(C)C","O=C(Oc1cccc(c1)C(C)C)NC","",1,"n-methylo-(3-isopropylphenyl)carbamate(1)","64-00-6(1)","223","Medium Reliability","Manual Check passed"]
[4446,"CCOC(=O)c1c(C)c(CC)c([nH]1)C=O\n\n\n","CCOC(=O)c1[nH]c(c(c1C)CC)C=O","O=Cc1[nH]c(C(=O)OCC)c(c1CC)C","",1,"1h-pyrrole-2-carboxylicacid,4-ethyl-5-formyl-3(1)","4391-87-1(1)","3488","Medium Reliability","Manual Check passed"]
[4447,"COc1ccccc1OCC(O)COC(N)=O\n\n\n","COc1ccccc1OCC(COC(=O)N)O","O=C(OCC(O)COc1ccccc1(OC))N","",1,"1,2-propanediol,3-(2-methoxyphenoxy)-,1-carbam(1)","532-03-6(1)","2020","Medium Reliability","Manual Check passed"]
[4448,"CCCCn1cnc2c1c(=O)n(C)c(=O)n2C\n\n\n","CCCCn1cnc2c1c(=O)n(C)c(=O)n2C","O=C2c1c(ncn1CCCC)N(C(=O)N2C)C","",1,"1h-purine-2,6-dione,7-butyl-3,7-dihydro-1,3-dim(1)","1021-65-4(1)","2799","Medium Reliability","Manual Check passed"]
[4449,"CN(C)CCCc1ccccc1\n\n\n","CN(CCCc1ccccc1)C","c1ccc(cc1)CCCN(C)C","",1,"n,n-dime-n-g-phenylpropylamine(1)","1199-99-1(1)","2872","Medium Reliability","Manual Check passed"]
[4450,"CC(C)(O)CCSc1ccc(cc1)S(N)(=O)=O\n\n\n","CC(CCSc1ccc(cc1)S(=O)(=O)N)(O)C","O=S(=O)(N)c1ccc(cc1)SCCC(O)(C)C","",1,"BENZENESULFONAMIDE, 4-[3-HYDROXY-3-METHYLBUTYL)T(1)","108966-53-6(1)","5537","Medium Reliability","Manual Check passed"]
[4451,"CC(C)(O)CCS(=O)(=O)c1ccc(cc1)S(N)(=O)=O\n\n\n","CC(CCS(=O)(=O)c1ccc(cc1)S(=O)(=O)N)(O)C","O=S(=O)(N)c1ccc(cc1)S(=O)(=O)CCC(O)(C)C","",1,"BENZENESULFONAMIDE, 4-[3-HYDROXY-3-METHYLBUTYL)S(1)","108966-56-9(1)","5540","Medium Reliability","Manual Check passed"]
[4452,"CCCCCC1(CC)C(=O)NC(=O)NC1=O\n\n\n","CCCCCC1(CC)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC)CCCCC","",1,"barbituricacid,5-et-5-amyl(1)","115-58-2(1)","1284","Medium Reliability","Manual Check passed"]
[4453,"CCCOC(=O)CCC(=O)N(CC)CC\n\n\n","CCCOC(=O)CCC(=O)N(CC)CC","O=C(OCCC)CCC(=O)N(CC)CC","",1,"butanoicacid,4-(diethylamino)-4-oxo-,propyle(1)","5834-84-4(1)","3670","Medium Reliability","Manual Check passed"]
[4454,"OC(=O)c1cc(=O)nc([nH]1)-c2ccccc2\n\n\n","O=c1cc([nH]c(n1)c1ccccc1)C(=O)O","O=C1N=C(NC(=C1)C(=O)O)c2ccccc2","",1,"4-Pyrimidinecarboxylic acid, 1,6-dihydro-6-oxo-2(1)","84659-98-3(1)","5303","Medium Reliability","Manual Check passed"]
[4455,"NS(=O)(=O)c1scc(c1)C(=O)c2ccc(O)cc2\n\n\n","Oc1ccc(cc1)C(=O)c1csc(c1)S(=O)(=O)N","O=C(c1ccc(O)cc1)c2cc(sc2)S(=O)(=O)N","",1,"2-THIOPHENESULFONAMIDE, 4-(4-HYDROXYBENZOYL)-(1)","118993-57-0(1)","5628","Medium Reliability","Manual Check passed"]
[4456,"CCOC(=O)c1cc2ccccc2oc1=O\n\n\n","CCOC(=O)c1cc2ccccc2oc1=O","O=C1Oc2ccccc2(C=C1C(=O)OCC)","",1,"2h-1-benzopyran-3-carboxylicacid,2-oxo-,ethyl(1)","1846-76-0(1)","3000","Medium Reliability","Manual Check passed"]
[4457,"CCOC(=O)c1cc(=O)oc2ccccc12\n\n\n","CCOC(=O)c1cc(=O)oc2c1cccc2","O=C2Oc1ccccc1C(=C2)C(=O)OCC","",1,"2H-1-Benzopyran-4-carboxylic acid, 2-oxo-, ethyl(1)","4825-95-0(1)","3543","Medium Reliability","Manual Check passed"]
[4458,"Cc1ccc(cc1)C(=O)c2csc(c2)S(N)(=O)=O\n\n\n","Cc1ccc(cc1)C(=O)c1csc(c1)S(=O)(=O)N","O=C(c1ccc(cc1)C)c2cc(sc2)S(=O)(=O)N","",1,"2-THIOPHENESULFONAMIDE, 4-(4-METHYLBENZOYL)-(1)","119018-06-3(1)","5630","Medium Reliability","Manual Check passed"]
[4459,"[O-]C(=O)CNS(=O)(=O)c1ccc2ccccc2c1\n\n\n","OC(=O)CNS(=O)(=O)c1ccc2c(c1)cccc2","O=C(O)CNS(=O)(=O)c1ccc2ccccc2(c1)","",1,"Glycine, N-naphthalene-2-sulfonyl)-(1)","92740-48-2(1)","5379","Medium Reliability","Manual Check passed"]
[4460,"COc1ccc(cc1)C(=O)c2coc(c2)S(N)(=O)=O\n\n\n","COc1ccc(cc1)C(=O)c1coc(c1)S(=O)(=O)N","O=C(c1coc(c1)S(=O)(=O)N)c2ccc(OC)cc2","",1,"2-FURANSULFONAMIDE, 4-(4-METHOXYBENZOYL)-(1)","118993-61-6(1)","5629","Medium Reliability","Manual Check passed"]
[4461,"CCOC(=O)C(=Cc1ccc(Cl)cc1)N=CO\n\n\n","CCOC(=O)C(=Cc1ccc(cc1)Cl)N=CO","O=C(OCC)C(N=CO)=Cc1ccc(cc1)Cl","",1,"Ethyl 2-formamido (4-chlorophenyl) acrylate(1)","136986-62-4(1)","5705","Medium Reliability","Manual Check passed"]
[4462,"CCOC(=O)C(=Cc1cc(Cl)ccc1)N=CO\n\n\n","CCOC(=O)C(=Cc1cccc(c1)Cl)N=CO","O=C(OCC)C(N=CO)=Cc1cccc(c1)Cl","",1,"Ethyl 2-formamido (3-chlorophenyl) acrylate(1)","137013-29-7(1)","5707","Medium Reliability","Manual Check passed"]
[4463,"CCOC(=O)C(=Cc1ccccc1Cl)N=CO\n\n\n","CCOC(=O)C(=Cc1ccccc1Cl)N=CO","O=C(OCC)C(N=CO)=Cc1ccccc1Cl","",1,"Ethyl 2-formamido (2-chlorophenyl) acrylate(1)","336111-17-2(1)","5753","Medium Reliability","Manual Check passed"]
[4464,"Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O\n\n\n","Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O","O=C1NC(=O)N(C=C1C)Cc2ccccc2","",1,"2,4(1h,3h)-pyrimidinedione,5-methyl-1-(phenylme(1)","6306-73-6(1)","3737","Medium Reliability","Manual Check passed"]
[4465,"CCOC(=O)C(=Cc1ccc(cc1)N(=O)=O)N=CO\n\n\n","CCOC(=O)C(=Cc1ccc(cc1)[N+](=O)[O-])N=CO","O=C(OCC)C(N=CO)=Cc1ccc(cc1)[N+](=O)[O-]","",1,"Ethyl 2-formamido (4-nitrophenyl) acrylate(1)","136986-60-2(1)","5703","Medium Reliability","Manual Check passed"]
[4466,"CCOC(=O)C(=Cc1cc(ccc1)N(=O)=O)N=CO\n\n\n","CCOC(=O)C(=Cc1cccc(c1)[N+](=O)[O-])N=CO","O=C(OCC)C(N=CO)=Cc1cccc(c1)[N+](=O)[O-]","",1,"Ethyl 2-formamido (3-nitrophenyl) acrylate(1)","136986-61-3(1)","5704","Medium Reliability","Manual Check passed"]
[4467,"[O-][N+](=O)c1nccn1CC(=O)NCc2ccccc2\n\n\n","O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1","O=C(NCc1ccccc1)Cn2ccnc2[N+](=O)[O-]","",1,"1h-imidazole-1-acetamide,2-nitro-n-(phenylmethy(1)","22994-85-0(1)","4333","Medium Reliability","Manual Check passed"]
[4468,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2\n\n\n","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1","O=C(Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2)C","",1,"acetamide,n-[4-[(2-pyrimidinylamino)sulfonyl]ph(1)","127-74-2(1)","1479","Medium Reliability","Manual Check passed"]
[4469,"OC(=O)COc1cccc(OCC(O)=O)c1OCC(O)=O\n\n\n","OC(=O)COc1c(cccc1OCC(=O)O)OCC(=O)O","O=C(O)COc1cccc(OCC(=O)O)c1(OCC(=O)O)","",1,"Acetic acid, 2,2',2''-[1,2,3-benzenetriyltris(ox(1)","49629-98-3(1)","4776","Medium Reliability","Manual Check passed"]
[4470,"COC(=O)C1(CCC1)S(=O)(=O)c2ccc(Br)cc2\n\n\n","COC(=O)C1(CCC1)S(=O)(=O)c1ccc(cc1)Br","O=C(OC)C1(CCC1)S(=O)(=O)c2ccc(cc2)Br","",1,"me(1-(4-bromo)phenylsulfonyl)cyclobutanecarbo(1)","160790-06-7(1)","5737","Medium Reliability","Manual Check passed"]
[4471,"COC(=O)C1(CCC1)S(=O)(=O)c2ccc(Cl)cc2\n\n\n","COC(=O)C1(CCC1)S(=O)(=O)c1ccc(cc1)Cl","O=C(OC)C1(CCC1)S(=O)(=O)c2ccc(cc2)Cl","",1,"me(1-(4-chloro)phenylsulfonyl)cyclobutanecarb(1)","160790-09-0(1)","5740","Medium Reliability","Manual Check passed"]
[4472,"O=C(COC(=O)c1ccccc1)N2CCC2\n\n\n","O=C(c1ccccc1)OCC(=O)N1CCC1","O=C(OCC(=O)N1CCC1)c2ccccc2","",1,"AZETIDINE, 1-[BENZOYLOXY(ACETYL)]-(1)","115178-66-0(1)","5586","Medium Reliability","Manual Check passed"]
[4473,"CN(C(C)=O)C(=O)COC(=O)c1ccccc1\n\n\n","CN(C(=O)C)C(=O)COC(=O)c1ccccc1","O=C(OCC(=O)N(C(=O)C)C)c1ccccc1","",1,"ACETAMIDE, N-ACETYL-2-(BENZOYLOXY)-N-METHYL-(1)","115178-80-8(1)","5595","Medium Reliability","Manual Check passed"]
[4474,"CN(CC(O)=O)C(=O)COC(=O)c1ccccc1\n\n\n","OC(=O)CN(C(=O)COC(=O)c1ccccc1)C","O=C(OCC(=O)N(C)CC(=O)O)c1ccccc1","",1,"GLYCINE, N-[(BENZOYLOXY)ACETYL]-N-METHYL-(1)","106231-64-5(1)","5516","Medium Reliability","Manual Check passed"]
[4475,"CCCCOC(=O)COc1c(Cl)cc(Cl)cc1\n\n\n","CCCCOC(=O)COc1ccc(cc1Cl)Cl","O=C(OCCCC)COc1ccc(cc1Cl)Cl","",1,"2,4-d,butylester(1)","94-80-4(1)","732","Medium Reliability","Manual Check passed"]
[4476,"CC(NC(=O)COC(=O)c1ccccc1)C(N)=O\n\n\n","O=C(NC(C(=O)N)C)COC(=O)c1ccccc1","O=C(OCC(=O)NC(C(=O)N)C)c1ccccc1","",1,"PROPANAMIDE, 2-[[(BENZOYLOXY)ACETYL]AMINO]-(1)","115193-30-1(1)","5599","Medium Reliability","Manual Check passed"]
[4477,"CCOc1nc(NS(=O)(=O)c2ccc(N)cc2)ncc1\n\n\n","CCOc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)N","O=S(=O)(Nc1nccc(n1)OCC)c2ccc(N)cc2","",1,"benzenesulfonamide,4-amino-n-(4-ethoxy-2-pyrimi(1)","71138-72-2(1)","5159","Medium Reliability","Manual Check passed"]
[4478,"CCOP(=S)(OCC)N1C(=O)c2c(cccc2)C1=O\nCCOP(=S)(OCC)N1C(=O)c2ccccc2C1=O\n\n","CCOP(=S)(N1C(=O)c2c(C1=O)cccc2)OCC","O=C1c2ccccc2(C(=O)N1P(OCC)(OCC)=S)","",1,"ditalimfos(laptran)(1)","5131-24-8(1)","3565","Medium Reliability","Manual Check passed"]
[4479,"CCC1(CC)OC(=O)c2ccccc12\n\n\n","CCC1(CC)OC(=O)c2c1cccc2","O=C1OC(c2ccccc12)(CC)CC","",1,"1(3H)-ISOBENZOFURANONE,3,3-DIETHYL(1)","4770-31-4(1)","3532","Medium Reliability","Manual Check passed"]
[4480,"COC(=O)C1(CCC1)S(=O)(=O)c2ccccc2\n\n\n","COC(=O)C1(CCC1)S(=O)(=O)c1ccccc1","O=C(OC)C1(CCC1)S(=O)(=O)c2ccccc2","",1,"methyl(1-phenylsulfonyl)cyclobutanecarboxylat(1)","160790-17-0(1)","5744","Medium Reliability","Manual Check passed"]
[4481,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(C)cc2\n\n\n","COC(=O)C1(CC1)S(=O)(=O)c1ccc(cc1)C","O=C(OC)C1(CC1)S(=O)(=O)c2ccc(cc2)C","",1,"methyl(1-(4-methyl)phenylsulfonyl)cyclopropane(1)","145348-19-2(1)","5715","Medium Reliability","Manual Check passed"]
[4482,"CCOC(=O)c1c(C([O-])=O)c(OC)c(OC)cc1\nCCOC(=O)c1ccc(OC)c(OC)c1C([O-])=O\n\n","CCOC(=O)c1ccc(c(c1C(=O)O)OC)OC","O=C(O)c1c(OC)c(OC)ccc1(C(=O)OCC)","",1,"Phthalic acid, 3,4-dimethoxy-, 2-ethyl ester(1)","123796-70-3(1)","5652","Medium Reliability","Manual Check passed"]
[4483,"CC(C)NC(=O)COC(=O)c1ccccc1\n\n\n","CC(NC(=O)COC(=O)c1ccccc1)C","O=C(OCC(=O)NC(C)C)c1ccccc1","",1,"ACETAMIDE, 2-(BENZOYLOXY)-N-(1-METHYLETHYL)-(1)","115193-27-6(1)","5596","Medium Reliability","Manual Check passed"]
[4484,"CN1C(O)=NC(=O)C(C)(C2=CCCCC2)C1=O\nCN1C(=O)NC(=O)C(C)(C1=O)C2=CCCCC2\n\n","OC1=NC(=O)C(C(=O)N1C)(C)C1=CCCCC1","O=C1N=C(O)N(C(=O)C1(C2=CCCCC2)C)C","",1,"hexabarital(1)","56-29-1(1)","92","Medium Reliability","Manual Check passed"]
[4485,"CC(C)(O)C(=O)OCCc1ccccc1\n\n\n","O=C(C(O)(C)C)OCCc1ccccc1","O=C(OCCc1ccccc1)C(O)(C)C","",1,"propanoicacid,2-hydroxy-2-methyl-,2-phenyleth(1)","10290-01-4(1)","3909","Medium Reliability","Manual Check passed"]
[4486,"CCCCOC(=O)C(O)c1ccccc1\n\n\n","CCCCOC(=O)C(c1ccccc1)O","O=C(OCCCC)C(O)c1ccccc1","",1,"Benzenesulfonamide, .alpha.-hydroxy-, butyl este(1)","14007-02-4(1)","4005","Medium Reliability","Manual Check passed"]
[4487,"CCC(C)c1ccccc1OC(=O)NC\n\n\n","CCC(c1ccccc1OC(=O)NC)C","O=C(Oc1ccccc1C(C)CC)NC","",1,"n-methylo-sec-butylphenylcarbamate(1)","3766-81-2(1)","3431","Medium Reliability","Manual Check passed"]
[4488,"CC(O)(CO)C(O)C12NC(=O)C(O)(NC1=O)C(=C)CCO2\n\n\n","OCC(C(C12OCCC(=C)C(C(=O)N1)(NC2=O)O)O)(O)C","O=C2NC1(OCCC(=C)C2(O)(NC1(=O)))C(O)C(O)(C)CO","",1,"biocozamycin(1)","38129-37-2(1)","4662","Medium Reliability","Manual Check passed"]
[4489,"CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1\n\n\n","CC(OC(=O)C(=C1SCCS1)C(=O)OC(C)C)C","O=C(OC(C)C)C(C(=O)OC(C)C)=C1SCCS1","",1,"ipt(isoprothiolane)(1)","50512-35-1(1)","4784","Medium Reliability","Manual Check passed"]
[4490,"CC1CCCC(O1)OC2CCCC(C)O2\n\n\n","CC1CCCC(O1)OC1CCCC(O1)C","O(C1OC(C)CCC1)C2OC(C)CCC2","",1,"Pyran, 2,2'-oxybis[tetrahydro-6-methyl-(1)","92038-29-4(1)","5371","Medium Reliability","Manual Check passed"]
[4491,"CCCCCCOC(=O)C(C)OC(=O)C(C)O\n\n\n","CCCCCCOC(=O)C(OC(=O)C(O)C)C","O=C(OCCCCCC)C(OC(=O)C(O)C)C","",1,"Propanoic acid, 2-hydroxy-, 2-(hexyloxy)-1-methy(1)","73747-55-4(1)","5186","Medium Reliability","Manual Check passed"]
[4492,"O=P(N1CCOCC1)(N2CCOCC2)N3CCOCC3\n\n\n","O=P(N1CCOCC1)(N1CCOCC1)N1CCOCC1","O=P(N1CCOCC1)(N2CCOCC2)N3CCOCC3","",1,"morpholine,4,4',4''-phosphinylidynetris-(1)","4441-12-7(1)","3499","Medium Reliability","Manual Check passed"]
[4493,"CCOC(CN(CC(OCC)OCC)N=O)OCC\n\n\n","CCOC(CN(CC(OCC)OCC)N=O)OCC","O=NN(CC(OCC)OCC)CC(OCC)OCC","",1,"ethanamine,n-(2,2-diethoxyethyl)-2,2-diethoxy-n(1)","67856-67-1(1)","5090","Medium Reliability","Manual Check passed"]
[4494,"Clc1c2Oc3c(Oc2ccc1)c(Cl)c(Cl)c(Cl)c3Cl\n\n\n","Clc1c2Oc3cccc(c3Oc2c(c(c1Cl)Cl)Cl)Cl","O1c3cccc(c3(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl))Cl","",1,"PENTACHLORODIBENZO-P-DIOXIN(1)","36088-22-9(1)","4624","Medium Reliability","Manual Check passed"]
[4495,"Clc1cc(Cl)c(cc1)-c2c(Cl)c(Cl)c(Cl)cc2\nClc1cc(Cl)c(cc1)-c2c(Cl)c(Cl)c(Cl)c(Cl)c2\nClc1ccc(c(Cl)c1)-c2cc(Cl)c(Cl)c(Cl)c2Cl\n","Clc1ccc(c(c1)Cl)c1cc(Cl)c(c(c1Cl)Cl)Cl","c1cc(cc(c1c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","",1,"2,2',3,4,4'-pcb(1)","35694-06-5(1)","4619","Medium Reliability","Manual Check passed"]
[4496,"Clc1cc(cc(Cl)c1Cl)-c2cc(Cl)c(Cl)c(Cl)c2\n\n\n","Clc1cc(cc(c1Cl)Cl)c1cc(Cl)c(c(c1)Cl)Cl","c1c(cc(c(c1Cl)Cl)Cl)c2cc(c(c(c2)Cl)Cl)Cl","",1,"3,3',4,4',5,5'-pcb(1)","32774-16-6(1)","4549","Medium Reliability","Manual Check passed"]
[4497,"Clc1cc(Cl)c(cc1Cl)-c2cc(Cl)c(Cl)cc2\nClc1ccc(cc1Cl)-c2cc(Cl)c(Cl)cc2Cl\n\n","Clc1cc(Cl)c(cc1c1ccc(c(c1)Cl)Cl)Cl","c1cc(c(cc1c2cc(c(cc2Cl)Cl)Cl)Cl)Cl","",1,"2',3,4,4',5'-pcb(1)","31508-00-6(1)","4526","Medium Reliability","Manual Check passed"]
[4498,"Clc1cc(c(Cl)c(Cl)c1Cl)-c2ccccc2\n\n\n","Clc1cc(c2ccccc2)c(c(c1Cl)Cl)Cl","c1ccc(cc1)c2cc(c(c(c2Cl)Cl)Cl)Cl","",1,"2,3,4,5-pcb(1)","33284-53-6(1)","4562","Medium Reliability","Manual Check passed"]
[4499,"Oc1c(Cl)cc(Cl)cc1Sc2c(O)c(Cl)cc(Cl)c2\nOc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O\n\n","Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O","Oc1c(cc(cc1Sc2cc(cc(c2(O))Cl)Cl)Cl)Cl","",1,"phenol,2,2'-thiobis4,6-dichloro-(1)","97-18-7(1)","792","Medium Reliability","Manual Check passed"]
[4500,"Clc1cc(Br)c(OC(=O)C=C)c2c1cccn2\n\n\n","C=CC(=O)Oc1c(Br)cc(c2c1nccc2)Cl","O=C(Oc2c1ncccc1c(cc2Br)Cl)C=C","",1,"2-propenoicacid,7-bromo-5-chloro-8-quinolinyl(1)","34462-96-9(1)","4587","Medium Reliability","Manual Check passed"]
[4501,"Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O\n\n\n","Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl","Oc1ccc(cc1Cc2cc(ccc2(O))Cl)Cl","",1,"phenol,2,2'-methylenebis4-chloro-(1)","97-23-4(1)","793","Medium Reliability","Manual Check passed"]
[4502,"Ic1c(cccc1)C(=O)Nc2ccccc2\nIc1ccccc1C(=O)Nc2ccccc2\n\n","O=C(c1ccccc1I)Nc1ccccc1","O=C(Nc1ccccc1)c2ccccc2I","",1,"benzamide,2-iodo-n-phenyl(1)","15310-01-7(1)","4066","Medium Reliability","Manual Check passed"]
[4503,"O=S(=O)(Nc1ccccc1)c2ccccc2C#N\n\n\n","N#Cc1ccccc1S(=O)(=O)Nc1ccccc1","N#Cc1ccccc1S(=O)(=O)Nc2ccccc2","",1,"Benzenesulfonamide, 2-cyano-N-phenyl-(1)","69360-16-3(1)","5118","High Reliability","Manual Check passed"]
[4504,"Cc1cc(Oc2ccc(cc2)[N+]([O-])=O)ccc1\n\n\n","Cc1cccc(c1)Oc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c2ccc(Oc1cccc(c1)C)cc2","",1,"3-me-4'-no2-diphenylether(1)","2303-25-5(1)","3161","Medium Reliability","Manual Check passed"]
[4505,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2\n\n\n","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1","O=C(Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2)C","",1,"acetamide,n-4-(2-pyridinylamino)sulfonylphen(1)","19077-98-6(1)","4216","Medium Reliability","Manual Check passed"]
[4506,"NC(CC(O)=O)c1cccc2ccccc12\n[NH3+]C(CC([O-])=O)c1cccc2ccccc12\n\n","OC(=O)CC(c1cccc2c1cccc2)N","O=C(O)CC(N)c2cccc1ccccc12","",1,"1-naphthalenepropanoicacid,.beta.-amino-,(¤)(1)","100393-41-7(1)","5448","Medium Reliability","Manual Check passed"]
[4507,"CCOC(=O)C(=Cc1cc2c(OCO2)cc1)N=CO\n\n\n","CCOC(=O)C(=Cc1ccc2c(c1)OCO2)N=CO","O=C(OCC)C(N=CO)=Cc1ccc2OCOc2(c1)","",1,"Ethyl 2-formamido (dioxo-phenyl) acrylate(1)","136986-57-7(1)","5700","Medium Reliability","Manual Check passed"]
[4508,"Nc1ccc(cc1)S(=O)(=O)NCc2ccccc2\nNS(=O)(=O)c1ccc(NCc2ccccc2)cc1\n\n","Nc1ccc(cc1)S(=O)(=O)NCc1ccccc1","O=S(=O)(NCc1ccccc1)c2ccc(N)cc2","",1,"benzenesulfonamide,4-[(phenylmethyl)amino]-(1)","104-22-3(1)","949","Medium Reliability","Manual Check passed"]
[4509,"COC(=O)C1(CCCC1)S(=O)(=O)c2ccc(Br)cc2\n\n\n","COC(=O)C1(CCCC1)S(=O)(=O)c1ccc(cc1)Br","O=C(OC)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Br","",1,"me(1-(4-bromo)phenylsulfonyl)cyclopentanecarb(1)","160790-07-8(1)","5738","Medium Reliability","Manual Check passed"]
[4510,"CCC1(CCC(=O)NC1=O)c2ccccc2\n\n\n","CCC1(CCC(=O)NC1=O)c1ccccc1","O=C2NC(=O)C(c1ccccc1)(CC)CC2","",1,"2-ethyl-2-phenylgluterimide(1)","77-21-4(1)","412","Medium Reliability","Manual Check passed"]
[4511,"CCOC(=O)C(=Cc1ccc(OC)cc1)N=CO\n\n\n","CCOC(=O)C(=Cc1ccc(cc1)OC)N=CO","O=C(OCC)C(N=CO)=Cc1ccc(OC)cc1","",1,"Ethyl 2-formamido (4-methoxyphenyl) acrylate(1)","136986-59-9(1)","5702","Medium Reliability","Manual Check passed"]
[4512,"O=C(COC(=O)c1ccccc1)N2CCOCC2\n\n\n","O=C(N1CCOCC1)COC(=O)c1ccccc1","O=C(OCC(=O)N1CCOCC1)c2ccccc2","",1,"MORPHOLINE, 4-[(BENZOYLOXY)ACETYL]-(1)","106231-68-9(1)","5518","Medium Reliability","Manual Check passed"]
[4513,"COC(=O)C1(CCCC1)S(=O)(=O)c2ccccc2\n\n\n","COC(=O)C1(CCCC1)S(=O)(=O)c1ccccc1","O=C(OC)C1(CCCC1)S(=O)(=O)c2ccccc2","",1,"methyl(1-phenylsulfonyl)cyclopentanecarboxyla(1)","160790-18-1(1)","5745","Medium Reliability","Manual Check passed"]
[4514,"CCOC(=O)C1(CC1)S(=O)(=O)c2ccc(C)cc2\n\n\n","CCOC(=O)C1(CC1)S(=O)(=O)c1ccc(cc1)C","O=C(OCC)C1(CC1)S(=O)(=O)c2ccc(cc2)C","",1,"ethyl(1-(4-methyl)phenylsulfonyl)cyclopropane(1)","145348-20-5(1)","5716","Medium Reliability","Manual Check passed"]
[4515,"CCOC(=O)c1c(C)oc(C)c(C(=O)OCC)c1=O\n\n\n","CCOC(=O)c1c(C)oc(c(c1=O)C(=O)OCC)C","O=C(OCC)C=1C(=O)C(C(=O)OCC)=C(OC=1C)C","",1,"4h-pyran-3,5-dicarboxylicacid,2,6-dimethyl-4-o(1)","5456-14-4(1)","3616","Medium Reliability","Manual Check passed"]
[4516,"CC(C)(C)NC(=O)COC(=O)c1ccccc1\n\n\n","O=C(c1ccccc1)OCC(=O)NC(C)(C)C","O=C(OCC(=O)NC(C)(C)C)c1ccccc1","",1,"ACETAMIDE, 2-(BENZOYLOXY)-N-(1,1-DIMETHYLETHYL)-(1)","106231-52-1(1)","5504","Medium Reliability","Manual Check passed"]
[4517,"CN(C)C(=O)CCCOC(=O)c1ccccc1\n\n\n","CN(C(=O)CCCOC(=O)c1ccccc1)C","O=C(OCCCC(=O)N(C)C)c1ccccc1","",1,"BUTANAMIDE, 4-(BENZOYLOXY)-N,N-DIMETHYL-(1)","115178-78-4(1)","5593","Medium Reliability","Manual Check passed"]
[4518,"CCCCNC(=O)COC(=O)c1ccccc1\n\n\n","CCCCNC(=O)COC(=O)c1ccccc1","O=C(OCC(=O)NCCCC)c1ccccc1","",1,"ACETAMIDE, 2-(BENZOYLOXY)-N-BUTYL-(1)","115193-28-7(1)","5597","Medium Reliability","Manual Check passed"]
[4519,"CCCC(C)(C)C(=O)Nc1ccc(Cl)cc1\n\n\n","CCCC(C(=O)Nc1ccc(cc1)Cl)(C)C","O=C(Nc1ccc(cc1)Cl)C(C)(C)CCC","",1,"monalide(potablan)(1)","7287-36-7(1)","3826","Medium Reliability","Manual Check passed"]
[4520,"OCC(O)C1OC(Oc2ccccc2)C(O)C(O)C1O\n\n\n","OCC(C1OC(Oc2ccccc2)C(C(C1O)O)O)O","OCC(O)C2OC(Oc1ccccc1)C(O)C(O)C2(O)","",1,"d-glycero-d-gulo-heptopyranoside,phenyl,-(1)","5329-55-5(1)","3585","Medium Reliability","Manual Check passed"]
[4521,"CCCCCCOC(=O)c1ccc(N)cc1\n\n\n","CCCCCCOC(=O)c1ccc(cc1)N","O=C(OCCCCCC)c1ccc(N)cc1","",1,"BENZOIC ACID, 4-AMINO-, HEXYL ESTER(1)","13476-55-6(1)","3981","Medium Reliability","Manual Check passed"]
[4522,"CC(=O)OCC(COC(C)=O)(COC(C)=O)COC(C)=O\n\n\n","CC(=O)OCC(COC(=O)C)(COC(=O)C)COC(=O)C","O=C(OCC(COC(=O)C)(COC(=O)C)COC(=O)C)C","",1,"1,3-propanediol,2,2-bis(acetyloxy)methyl-,di(1)","597-71-7(1)","2341","Medium Reliability","Manual Check passed"]
[4523,"CC(C)OP(=O)(OC(C)C)SCc1ccccc1\n\n\n","CC(OP(=O)(OC(C)C)SCc1ccccc1)C","O=P(OC(C)C)(OC(C)C)SCc1ccccc1","",1,"IBP (IPROBENFOS)(1)","26087-47-8(1)","4414","Medium Reliability","Manual Check passed"]
[4524,"CCCCCCCC1(CC)C(=O)NC(=O)NC1=O\n[Na+].CCCCCCCC1(CC)C(=O)NC(=O)[N-]C1=O\n\n","CCCCCCCC1(CC)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC)CCCCCCC","",1,"barbituricacid,5-et,5-heptyl(1)","60784-70-5(1)","5000","Medium Reliability","Manual Check passed"]
[4525,"CCCCCC1C(CC(=O)OC)CCC1=O\n\n\n","CCCCCC1C(CCC1=O)CC(=O)OC","O=C(OC)CC1CCC(=O)C1(CCCCC)","",1,"cyclopentaneaceticacid,3-oxo-2-pentyl-,methyl(1)","24851-98-7(1)","4367","Medium Reliability","Manual Check passed"]
[4526,"CC(CCCCCCCCC(O)=O)CC(O)=O\n\n\n","OC(=O)CCCCCCCCC(CC(=O)O)C","O=C(O)CCCCCCCCC(C)CC(=O)O","",1,"Dodecanedioic acid, 3-methyl-(1)","77633-51-3(1)","5244","Medium Reliability","Manual Check passed"]
[4527,"CC(C)C1OCC2(CO1)COC(OC2)C(C)C\n\n\n","CC(C1OCC2(CO1)COC(OC2)C(C)C)C","O1CC2(COC1C(C)C)(COC(OC2)C(C)C)","",1,"2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-bis(1-m(1)","69695-04-1(1)","5125","Medium Reliability","Manual Check passed"]
[4528,"COc1c(cc(C(=O)c2ccccc2)c(O)c1)S(O)(=O)=O\n[Na+].COc1cc(O)c(cc1S([O-])(=O)=O)C(=O)c2ccccc2\n\n","COc1cc(O)c(cc1S(=O)(=O)O)C(=O)c1ccccc1","O=C(c1ccccc1)c2cc(c(OC)cc2(O))S(=O)(=O)O","",1,"5-benzoyl-4-hydroxy-2-methoxy-benzenesulfonicac(1)","4065-45-6(1)","3455","Medium Reliability","Manual Check passed"]
[4529,"CS(=O)(=O)c1cc(Cl)c(cc1)C(=O)C2C(=O)CCCC2=O\nCS(=O)(=O)c1ccc(c(Cl)c1)C(=O)C2C(=O)CCCC2=O\n\n","O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C","O=C(c1ccc(cc1Cl)S(=O)(=O)C)C2C(=O)CCCC2(=O)","",1,"icia0051(sulcotrione)(1)","99105-77-8(1)","5436","Medium Reliability","Manual Check passed"]
[4530,"Oc1ccc(CCc2ccccc2)c(O)c1\n\n\n","Oc1ccc(c(c1)O)CCc1ccccc1","Oc1ccc(c(O)c1)CCc2ccccc2","",1,"1,3-Benzenediol, 4-(2-phenylethyl)-(1)","94-77-9(1)","731","Medium Reliability","Manual Check passed"]
[4531,"Cc1ccc(cc1)S(=O)(=O)Oc2ccccc2C\n\n\n","Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1C","O=S(=O)(Oc1ccccc1C)c2ccc(cc2)C","",1,"benzenesulfonicacid,4-methyl-,2-methylphenyl(1)","599-75-7(1)","2356","Medium Reliability","Manual Check passed"]
[4532,"Cc1nc(Nc2ccccc2)nc(c1)C3CC3\nCc1cc(nc(Nc2ccccc2)n1)C3CC3\n\n","Cc1nc(Nc2ccccc2)nc(c1)C1CC1","n1c(nc(cc1C)C2CC2)Nc3ccccc3","",1,"cga219417(cyprodinil)(1)","121552-61-2(1)","5641","Medium Reliability","Manual Check passed"]
[4533,"CCOC(=O)C(NC=O)=CC=Cc1ccccc1\n\n\n","O=CNC(=CC=Cc1ccccc1)C(=O)OCC","O=CNC(=CC=Cc1ccccc1)C(=O)OCC","",1,"Ethyl 2-formamido-(phenylvinyl)acrylate(1)","40078-42-0(1)","4725","Medium Reliability","Manual Check passed"]
[4534,"CCN(CC)C(=O)c1cc2ccccc2oc1=O\n\n\n","CCN(C(=O)c1cc2ccccc2oc1=O)CC","O=C1Oc2ccccc2(C=C1C(=O)N(CC)CC)","",1,"2h-1-benzopyran-3-carboxamide,n,n-diethyl-2-oxo(1)","18144-62-2(1)","4182","Medium Reliability","Manual Check passed"]
[4535,"COC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(Br)cc2\n\n\n","COC(=O)C1(CCCCC1)S(=O)(=O)c1ccc(cc1)Br","O=C(OC)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)Br","",1,"me(1-(4-bromo)phenylsulfonyl)cyclohexanecarbo(1)","160790-08-9(1)","5739","Medium Reliability","Manual Check passed"]
[4536,"CC(C)C1(C)NC(=NC1=O)c2ncc(C)cc2C(O)=O\nCC(C)C1(C)N=C(NC1=O)c2ncc(C)cc2C(O)=O\n\n","Cc1cnc(c(c1)C(=O)O)C1=NC(=O)C(N1)(C)C(C)C","O=C(O)c2cc(cnc2(C1=NC(=O)C(N1)(C)C(C)C))C","",1,"ac263,222herbicide(1)","104098-48-8(1)","5485","Medium Reliability","Manual Check passed"]
[4537,"O=C(COC(=O)c1ccccc1)N2CCCCC2\n\n\n","O=C(N1CCCCC1)COC(=O)c1ccccc1","O=C(OCC(=O)N1CCCCC1)c2ccccc2","",1,"PIPERIDINE, 1-[(BENZOYLOXY)ACETYL]-(1)","106231-67-8(1)","5517","Medium Reliability","Manual Check passed"]
[4538,"OC1CCN(CC1)C(=O)COC(=O)c2ccccc2\n\n\n","OC1CCN(CC1)C(=O)COC(=O)c1ccccc1","O=C(OCC(=O)N1CCC(O)CC1)c2ccccc2","",1,"4-PIPERIDINOL, 1-[(BENZOYLOXY)ACETYL]-(1)","115178-71-7(1)","5588","Medium Reliability","Manual Check passed"]
[4539,"CCOC(=O)C(=Cc1cc(OC)c(OC)cc1)N=CO\n\n\n","CCOC(=O)C(=Cc1ccc(c(c1)OC)OC)N=CO","O=C(OCC)C(N=CO)=Cc1ccc(OC)c(OC)c1","",1,"Ethyl 2-formamido (3,4-dimethoxyphenyl) acrylate(1)","136986-58-8(1)","5701","Medium Reliability","Manual Check passed"]
[4540,"CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)[N+]([O-])=O\n\n\n","CC(OC(=O)C1(CCC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C","O=C(OC(C)C)C1(CCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]","",1,"isopropyl(1-(4-nitro)phenylsulfonyl)cyclobutan(1)","160790-03-4(1)","5734","Medium Reliability","Manual Check passed"]
[4541,"CCOCCOC(=O)C=Cc1ccc(OC)cc1\n\n\n","CCOCCOC(=O)C=Cc1ccc(cc1)OC","O=C(OCCOCC)C=Cc1ccc(OC)cc1","",1,"2-propenoicacid,3-(4-methoxyphenyl)-,2-ethoxy(1)","104-28-9(1)","950","Medium Reliability","Manual Check passed"]
[4542,"COC(=O)C1(CCCCC1)S(=O)(=O)c2ccccc2\n\n\n","COC(=O)C1(CCCCC1)S(=O)(=O)c1ccccc1","O=C(OC)C1(CCCCC1)S(=O)(=O)c2ccccc2","",1,"methyl(1-phenylsulfonyl)cyclohexanecarboxylat(1)","160790-19-2(1)","5746","Medium Reliability","Manual Check passed"]
[4543,"CCOC(=O)C1(CCC1)S(=O)(=O)c2ccc(C)cc2\n\n\n","CCOC(=O)C1(CCC1)S(=O)(=O)c1ccc(cc1)C","O=C(OCC)C1(CCC1)S(=O)(=O)c2ccc(cc2)C","",1,"ethyl(1-(4-methyl)phenylsulfonyl)cyclobutanec(1)","160790-14-7(1)","5743","Medium Reliability","Manual Check passed"]
[4544,"CN(Cc1cc(Br)cc(Br)c1N)C2CCCCC2\n\n\n","Brc1cc(CN(C2CCCCC2)C)c(c(c1)Br)N","Nc1c(cc(cc1Br)Br)CN(C)C2CCCCC2","",1,"2-amino-3,5-dibromo-N-cyclohexyl-N-methylbenzene(1)","3572-43-8(1)","3399","Medium Reliability","Manual Check passed"]
[4545,"CCOc1ccc(NC(=O)OC(C)C)cc1OCC\n\n\n","CCOc1cc(ccc1OCC)NC(=O)OC(C)C","O=C(OC(C)C)Nc1ccc(OCC)c(OCC)c1","",1,"carbamicacid,(3,4-diethoxyphenyl)-,1-methylet(1)","87130-20-9(1)","5316","Medium Reliability","Manual Check passed"]
[4546,"CCCC(=O)OCCOCCOCCOC(=O)CCC\n\n\n","CCCC(=O)OCCOCCOCCOC(=O)CCC","O=C(OCCOCCOCCOC(=O)CCC)CCC","",1,"butanoicacid,1,2-ethanediylbis(oxy-2,1-ethaned(1)","26962-26-5(1)","4436","Medium Reliability","Manual Check passed"]
[4547,"OS(=O)(=O)c1cc2c(cc1)C(=O)c3c(cccc3S(O)(=O)=O)C2=O\nOS(=O)(=O)c1ccc2C(=O)c3c(cccc3S(O)(=O)=O)C(=O)c2c1\n\n","O=C1c2cc(ccc2C(=O)c2c1cccc2S(=O)(=O)O)S(=O)(=O)O","O=C2c3cc(ccc3(C(=O)c1c2(cccc1S(=O)(=O)O)))S(=O)(=O)O","",1,"1,6-anthracenedisulfonicacid,9,10-dihydro-9,10(1)","14486-58-9(1)","4036","Medium Reliability","Manual Check passed"]
[4548,"OC(=O)C1(O)c2c(cccc2)-c3c1cc(Cl)cc3\nOC(=O)C1(O)c2ccccc2-c3ccc(Cl)cc13\n\n","Clc1ccc2c(c1)C(O)(C(=O)O)c1c2cccc1","O=C(O)C2(O)(c3ccccc3(c1ccc(cc12)Cl))","",1,"9h-fluorene-9-carboxylicaicd,2-chloro-9-hydrox(1)","2464-37-1(1)","3216","Medium Reliability","Manual Check passed"]
[4549,"O=c1oc(nc2ccccc12)-c3ccccc3\n\n\n","O=c1oc(nc2c1cccc2)c1ccccc1","O=C1OC(=Nc2ccccc12)c3ccccc3","",1,"4h-3,1-benzoxazin-4-one,2-phenyl(1)","1022-46-4(1)","2800","Medium Reliability","Manual Check passed"]
[4550,"OC(=O)Cc1cc(=O)oc2ccc3ccccc3c12\n\n\n","OC(=O)Cc1cc(=O)oc2c1c1ccccc1cc2","O=C3Oc2ccc1ccccc1c2C(=C3)CC(=O)O","",1,"3H-Naphtho[2,1-b]pyran-1-acetic acid, 3-oxo-(1)","33739-01-4(1)","4571","Medium Reliability","Manual Check passed"]
[4551,"CC(=NNC(=O)Nc1cc(F)cc(F)c1)c2ncccc2C(O)=O\n\n\n","O=C(Nc1cc(F)cc(c1)F)NN=C(c1ncccc1C(=O)O)C","O=C(O)c2cccnc2(C(=NNC(=O)Nc1cc(F)cc(F)c1)C)","",1,"bas65400h(1)","109293-97-2(1)","5553","Medium Reliability","Manual Check passed"]
[4552,"OC(=O)C(=O)C(c1ccccc1)c2ccccc2\n\n\n","O=C(C(c1ccccc1)c1ccccc1)C(=O)O","O=C(O)C(=O)C(c1ccccc1)c2ccccc2","",1,"benzenepropanoicacid,.alpha.-oxo-.beta.-phenyl(1)","4834-67-7(1)","3545","Medium Reliability","Manual Check passed"]
[4553,"OC(=O)C(NC(=O)c1ccccc1)c2ccccc2\n\n\n","O=C(c1ccccc1)NC(c1ccccc1)C(=O)O","O=C(O)C(NC(=O)c1ccccc1)c2ccccc2","",1,"Benzoylamino-phenyl-acetic acid(1)","7352-07-0(1)","3832","Medium Reliability","Manual Check passed"]
[4554,"NC(C(=O)NC1C2SCC(Cl)=C(N2C1=O)C(O)=O)c3ccccc3\n\n\n","NC(c1ccccc1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)Cl","O=C(O)C3=C(CSC2N3(C(=O)C2(NC(=O)C(N)c1ccccc1)))Cl","",1,"cefaclor(panoral)(1)","53994-73-3(1)","4885","Medium Reliability","Manual Check passed"]
[4555,"OC(O)(C(=O)Nc1ccccc1)C(=O)Nc2ccccc2\n\n\n","O=C(C(C(=O)Nc1ccccc1)(O)O)Nc1ccccc1","O=C(Nc1ccccc1)C(O)(O)C(=O)Nc2ccccc2","",1,"Malonamide, 2,2-dihydroxy-N,N'diphenyl-(1)","91732-73-9(1)","5368","Medium Reliability","Manual Check passed"]
[4556,"NC(=O)C1(CCCCC1)N2C(=O)c3c(C2=O)c(Cl)ccc3\nNC(=O)C1(CCCCC1)N2C(=O)c3cccc(Cl)c3C2=O\n\n","Clc1cccc2c1C(=O)N(C2=O)C1(CCCCC1)C(=O)N","O=C(N)C3(N1C(=O)c2cccc(c2(C1(=O)))Cl)(CCCCC3)","",1,"ac94,377(1)","51971-67-6(1)","4827","Medium Reliability","Manual Check passed"]
[4557,"C=CCN(CC=C)C(=O)COC(=O)c1ccccc1\n\n\n","C=CCN(C(=O)COC(=O)c1ccccc1)CC=C","O=C(OCC(=O)N(CC=C)CC=C)c1ccccc1","",1,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-PROPENYL)-(1)","106231-58-7(1)","5510","Medium Reliability","Manual Check passed"]
[4558,"OC1(CCCCCC1n2cncn2)c3ccc(Cl)cc3\n\n\n","Clc1ccc(cc1)C1(O)CCCCCC1n1ncnc1","OC3(c1ccc(cc1)Cl)(CCCCCC3(n2ncnc2))","",1,"SSF-109 FUNGICIDE(1)","129586-32-9(1)","5673","Medium Reliability","Manual Check passed"]
[4559,"CCC1(C(=O)NC(=O)N(CC(O)CO)C1=O)c2ccccc2\n\n\n","OCC(CN1C(=O)NC(=O)C(C1=O)(CC)c1ccccc1)O","O=C2NC(=O)C(c1ccccc1)(C(=O)N2CC(O)CO)CC","",1,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(2,3-dihydro(1)","78183-37-6(1)","5248","Medium Reliability","Manual Check passed"]
[4560,"O=C(COC(=O)c1ccccc1)N2CCCCCC2\n\n\n","O=C(N1CCCCCC1)COC(=O)c1ccccc1","O=C(OCC(=O)N1CCCCCC1)c2ccccc2","",1,"1H-AZEPINE, HEXAHYDRO-1-[(BENZOYLOXY)ACETYL]-(1)","115178-68-2(1)","5587","Medium Reliability","Manual Check passed"]
[4561,"CCCCCCNC(=O)COC(=O)c1ccccc1\n\n\n","CCCCCCNC(=O)COC(=O)c1ccccc1","O=C(OCC(=O)NCCCCCC)c1ccccc1","",1,"ACETAMIDE, 2-(BENZOYLOXY)-N-HEXYL-(1)","115193-29-8(1)","5598","Medium Reliability","Manual Check passed"]
[4562,"CCCCCCCCOC(=O)c1ccc(O)cc1\n\n\n","CCCCCCCCOC(=O)c1ccc(cc1)O","O=C(OCCCCCCCC)c1ccc(O)cc1","",1,"benzoicacid,4-hydroxy,octylester(1)","1219-38-1(1)","2877","Medium Reliability","Manual Check passed"]
[4563,"CCOC(=O)N1CCN(CC1)CN2CCN(CC2)C(=O)OCC\n\n\n","CCOC(=O)N1CCN(CC1)CN1CCN(CC1)C(=O)OCC","O=C(OCC)N2CCN(CN1CCN(C(=O)OCC)CC1)CC2","",1,"1-Piperazinecarboxylic acid, 4,4'-methylenebis-,(1)","63981-46-4(1)","5032","Medium Reliability","Manual Check passed"]
[4564,"COC(=O)c1c(CS(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cccc1\n\n\n","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC","O=C(OC)c1ccccc1CS(=O)(=O)NC(=O)Nc2nc(OC)cc(n2)OC","",1,"bensulfuron-methyl(ph7)(1)","83055-99-6(1)","5285","Medium Reliability","Manual Check passed"]
[4565,"CC(C)OC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)[N+]([O-])=O\n\n\n","CC(OC(=O)C1(CCCCC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C","O=C(OC(C)C)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]","",1,"isopropyl(1-(4-nitro)phenylsulfonyl)cyclohexan(1)","160790-04-5(1)","5735","Medium Reliability","Manual Check passed"]
[4566,"COCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC\n\n\n","COCCOc1c(OC)cc(cc1OC)Cc1cnc(nc1N)N","n1cc(c(nc1N)N)Cc2cc(OC)c(OCCOC)c(OC)c2","",1,"24nh2pyrimidine,5(35-meo-4-oetome)benzyl(1)","53808-87-0(1)","4878","Medium Reliability","Manual Check passed"]
[4567,"CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC\n\n\n","CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC","O=C(OCCCC)c1ccc(cc1)C(=O)OCCCC","",1,"p-dibutylterephthalate(1)","1962-75-0(1)","3048","Medium Reliability","Manual Check passed"]
[4568,"CNC(=O)Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C\nCNC(O)=O.CC(C)(C)c1cc(O)cc(c1)C(C)(C)C\n\n","CNC(=O)Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C","O=C(Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C)NC","",1,"3,5-bis(tert-butyl)phenolmethylcarbamate(1)","2655-19-8(1)","3271","High Reliability","Manual Check passed"]
[4569,"OC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1C(O)=O\n\n\n","OC(=O)c1c2C(=O)c3ccccc3C(=O)c2ccc1C(=O)O","O=C(O)c2ccc1C(=O)c3ccccc3(C(=O)c1c2(C(=O)O))","",1,"1,2-Anthracenedicarboxylic acid, 9,10-dihydro-9,(1)","7475-29-8(1)","3847","Medium Reliability","Manual Check passed"]
[4570,"ON(C(=O)c1cccc2ccccc12)c3ccccc3\n\n\n","ON(C(=O)c1cccc2c1cccc2)c1ccccc1","O=C(c2cccc1ccccc12)N(O)c3ccccc3","",1,"1-Naphthalenecarboxamide, N-hydroxy-N-phenyl-(1)","29556-17-0(1)","4485","High Reliability","Manual Check passed"]
[4571,"CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1\n\n\n","CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C","O=C(Oc1ccc(cc1)NC(=O)C)c2ccccc2(OC(=O)C)","",1,"benzoicacid,2-(acetyloxy)-,4-(acetylamino)phe(1)","5003-48-5(1)","3557","Medium Reliability","Manual Check passed"]
[4572,"COc1cc(OC)c2C(=O)C3(Oc2c1)C(C)CC(=O)C=C3OC\n\n\n","COc1cc2OC3(C(=O)c2c(c1)OC)C(C)CC(=O)C=C3OC","O=C3C=C(OC)C2(Oc1cc(OC)cc(OC)c1C2(=O))C(C)C3","",1,"Spiro[benzofuran-2(3H), 1'-[2]cyclohexene]-3,4'-(1)","3680-32-8(1)","3411","Medium Reliability","Manual Check passed"]
[4573,"CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C\nCN(C)C1(CC=C(C=C1)C(=O)c2ccccc2)N(C)C\n\n","CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C","O=C(c1ccc(cc1)N(C)C)c2ccc(cc2)N(C)C","",1,"4,4-bis(dimethylamino)benzophenone(1)","90-94-8(1)","660","Medium Reliability","Manual Check passed"]
[4574,"COc1c(NNC(=O)OC(C)C)cc(cc1)-c2ccccc2\nCOc1ccc(cc1NNC(=O)OC(C)C)-c2ccccc2\n\n","COc1ccc(cc1NNC(=O)OC(C)C)c1ccccc1","O=C(OC(C)C)NNc1cc(ccc1(OC))c2ccccc2","",1,"d2341(bifenazate)(1)","149877-41-8(1)","5726","Medium Reliability","Manual Check passed"]
[4575,"CC(C)OC(=O)C1(CCCCCC1)S(=O)(=O)c2ccc(cc2)[N+]([O-])=O\n\n\n","CC(OC(=O)C1(CCCCCC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C","O=C(OC(C)C)C1(CCCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]","",1,"isopropyl(1-(4-nitro)phenylsulfonyl)cyclohepta(1)","160790-05-6(1)","5736","Medium Reliability","Manual Check passed"]
[4576,"CC1(C)CC(=O)C(CC2C(=O)CC(C)(C)CC2=O)C(=O)C1\n\n\n","O=C1CC(C)(C)CC(=O)C1CC1C(=O)CC(CC1=O)(C)C","O=C1CC(C)(C)CC(=O)C1CC2C(=O)CC(C)(C)CC2(=O)","",1,"1,3-Cyclohexanedione, 2,2'-methylenebis[5,5-dime(1)","2181-22-8(1)","3120","Medium Reliability","Manual Check passed"]
[4577,"COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(C)C(O)CC13\n\n\n","OCC1OC(OC2OC=C(C3C2C(C)C(C3)O)C(=O)OC)C(C(C1O)O)O","O=C(OC)C2=COC(OC1OC(CO)C(O)C(O)C1(O))C3C2CC(O)C3(C)","",1,"2-Cyclopenta[c]pyran-4-carboxylic acid, 1-( -D-g(1)","18524-94-2(1)","4198","Medium Reliability","Manual Check passed"]
[4578,"CCOC(=O)COC(=O)c1c(ccc(Oc2c(Cl)cc(cc2)C(F)(F)F)c1)[N+]([O-])=O\nCCOC(=O)COC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O\n\n","CCOC(=O)COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F","O=C(OCC(=O)OCC)c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-]","",1,"fluoroglycofenethyl(1)","77501-90-7(1)","5241","Medium Reliability","Manual Check passed"]
[4579,"OC(=O)c1c(cccc1)C(=O)Nc2cccc3c2cccc3\nOC(=O)c1ccccc1C(=O)Nc2cccc3ccccc23\n\n","OC(=O)c1ccccc1C(=O)Nc1cccc2c1cccc2","O=C(O)c3ccccc3(C(=O)Nc2cccc1ccccc12)","",1,"npa(naptalam)(1)","132-66-1(1)","1507","Medium Reliability","Manual Check passed"]
[4580,"CCc1ccc(cc1)C(C(Cl)Cl)c2ccc(CC)cc2\nCCc1ccccc1C(C(Cl)Cl)c2ccccc2CC\n\n","CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl","c1cc(ccc1CC)C(c2ccc(cc2)CC)C(Cl)Cl","",1,"1,1-dichloro-2,2-bis(ethylphenyl)ethane(1)","72-56-0(1)","298","Medium Reliability","Manual Check passed"]
[4581,"O=C1CCCCCNC(=O)CCCCCNC(=O)CCCCCN1\n\n\n","O=C1CCCCCNC(=O)CCCCCNC(=O)CCCCCN1","O=C1NCCCCCC(=O)NCCCCCC(=O)NCCCCC1","",1,"1,8,15-Triazacycloheneicosane-2,9,16-trione(1)","56403-08-8(1)","4929","Medium Reliability","Manual Check passed"]
[4582,"NC(=N)NCCCCCCCCNCCCCCCCCNC(N)=N\nNC(N)=NCCCCCCCCNCCCCCCCCN=C(N)N\n\n","NC(=N)NCCCCCCCCNCCCCCCCCNC(=N)N","N=C(N)NCCCCCCCCNCCCCCCCCNC(=N)N","",1,"guazatinefreebase(1)","13516-27-3(1)","3983","Medium Reliability","Manual Check passed"]
[4583,"Cc1c2ccc3ccccc3c2cc4ccccc14\nCc1c2ccccc2cc3c4ccccc4ccc13\n\n","Cc1c2ccc3c(c2cc2c1cccc2)cccc3","c1ccc4c(c1)ccc3c4(cc2ccccc2c3C)","",1,"benz(a)anthracene-7-methyl(1)","2541-69-7(1)","3235","Medium Reliability","Manual Check passed"]
[4584,"Oc1c(C2CCCc3c2cccc3)c(=O)oc4c1cccc4\nOc1c(C2CCCc3ccccc23)c(=O)c4ccccc4o1\n\n","O=c1oc2ccccc2c(c1C1CCCc2c1cccc2)O","O=C1Oc4ccccc4(C(O)=C1C3c2ccccc2CCC3)","",1,"endrocide(endox)(coumatetralyl)(1)","5836-29-3(1)","3672","Medium Reliability","Manual Check passed"]
[4585,"CCOC(=O)C(CC(O)=O)=C(c1ccccc1)c2ccccc2\n\n\n","CCOC(=O)C(=C(c1ccccc1)c1ccccc1)CC(=O)O","O=C(O)CC(C(=O)OCC)=C(c1ccccc1)c2ccccc2","",1,"butanedioicacid,(diphenylmethylene)-,1-ethyl(1)","5438-22-2(1)","3612","Medium Reliability","Manual Check passed"]
[4586,"Oc1c(N=Nc2c3ccccc3c(cc2)S(O)(=O)=O)c4c(cccc4)cc1\n\n\n","Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)cccc2","O=S(=O)(O)c4ccc(N=Nc2c(O)ccc1ccccc12)c3ccccc34","",1,"1-Naphthalenesulfonic acid, 4- (2-hydroxy-1-naph(1)","18268-54-7(1)","4189","Medium Reliability","Manual Check passed"]
[4587,"Cc1c2ccccc2c(C)c3c4ccccc4ccc13\n\n\n","Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3","c1ccc2c(c1)ccc4c2c(c3ccccc3c4C)C","",1,"7,12-dime-benz(a)anthracene(1)","57-97-6(1)","142","Medium Reliability","Manual Check passed"]
[4588,"Cc1c(N)ccc(c1)C(O)(c2ccc(N)cc2)c3ccc(N)cc3\n\n\n","Nc1ccc(cc1)C(c1ccc(c(c1)C)N)(c1ccc(cc1)N)O","OC(c1ccc(N)cc1)(c2ccc(N)cc2)c3ccc(N)c(c3)C","",1,"benzenemethanol,4-amino-.alpha.,.alpha.-bis(4-a(1)","76-82-4(1)","404","Medium Reliability","Manual Check passed"]
[4589,"CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C\n\n\n","O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2(C)O)C)C","O=C4C=C3CCC2C(CCC1(C)(C2(CCC1(O)(C))))C3(C)CC4","",1,"17-a-methyltestosterone(1)","58-18-4(1)","146","Medium Reliability","Manual Check passed"]
[4590,"CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12\n\n\n","CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC","O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(CCCC)CCCC","",1,"Carbamic acid, [(dibutylamino)thio]methyl-, 2,3-(1)","55285-14-8(1)","4906","Medium Reliability","Manual Check passed"]
[4591,"CN1CCN(CCCN2c3c(Sc4c2cc(cc4)C(F)(F)F)cccc3)CC1\nCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1\n\n","CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F","FC(F)(F)c1ccc3c(c1)N(c2ccccc2S3)CCCN4CCN(C)CC4","",1,"trifluorperazine(1)","117-89-5(1)","1314","Medium Reliability","Manual Check passed"]
[4592,"OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccccc3\n\n\n","Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccccc1","O=C(c1ccc(F)cc1)CCCN3CCC(O)(c2ccccc2)CC3","",1,"1-Butanone, 1-(4-fluorophenyl)-4-(4-hydroxy-4-ph(1)","3109-12-4(1)","3329","Medium Reliability","Manual Check passed"]
[4593,"CC12CC(O)C3(F)C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO\n\n\n","OCC(=O)C1(O)CCC2C1(C)CC(O)C1(C2CCC2=CC(=O)CCC12C)F","O=C3C=C2CCC1C4CCC(O)(C(=O)CO)C4(C)(CC(O)C1(F)C2(C)CC3)","",1,"hydrocortisone-9a-fluoro(1)","127-31-1(1)","1472","Medium Reliability","Manual Check passed"]
[4594,"CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C\n\n\n","O=C1CCC2(C(=C1)CCC1C2C(O)CC2(C1CCC2C(=O)C)C)C","O=C3C=C2CCC1C4CCC(C(=O)C)C4(C)(CC(O)C1C2(C)CC3)","",1,"PREG-4-ENE-3,20-DIONE, 11-HYDROXY-, (11.alpha.)-(1)","80-75-1(1)","501","Medium Reliability","Manual Check passed"]
[4595,"CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1\n\n\n","CC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C","O=C(OC3CC2=CCC1C4CCC(=O)C4(C)(CCC1C2(C)CC3))C","",1,"androst-5-en-17-one,3-(acetyloxy),3-beta-(1)","853-23-6(1)","2716","Medium Reliability","Manual Check passed"]
[4596,"FC(F)(F)c1cccc(c1)C(n2cncn2)(c3ccccc3)c4ccccc4\n\n\n","FC(c1cccc(c1)C(n1cncn1)(c1ccccc1)c1ccccc1)(F)F","FC(F)(F)c1cccc(c1)C(c2ccccc2)(c3ccccc3)n4ncnc4","",1,"Fluotrimazole(1)","57381-79-0(1)","4947","High Reliability","Manual Check passed"]
[4597,"CN(C)C1C2C(O)C3C(=C(O)C2(O)C(=O)C(C(N)=O)=C1O)C(=O)c4c(cccc4O)C3(C)O\nO.O.[Na+].[Na+].CN(C)C1C2C(O)C3[C-](C(=O)c4c([O-])cccc4C3(C)O)C(=O)C2(O)C(=O)C(=C(N)O)C1=O\n\n","CN(C1C(=C(C(=O)N)C(=O)C2(C1C(O)C1C(=C2O)C(=O)c2c(C1(C)O)cccc2O)O)O)C","O=C(N)C=3C(=O)C4(O)(C(O)=C2C(=O)c1c(O)cccc1C(O)(C)C2C(O)C4(C(C=3(O))N(C)C))","",1,"oxytetracylcine(1)","79-57-2(1)","480","Medium Reliability","Manual Check passed"]
[4598,"c1ccc-2c(c1)-c3cccc4cc5c(ccc6ccccc56)c2c34\n\n\n","c1ccc2c(c1)c1c3c2cccc3cc2c1ccc1c2cccc1","c1ccc6c(c1)ccc3c6(cc4cccc5c2ccccc2c3c45)","",1,"benz(a,j)aceanthrylene(1)","203-20-3(1)","1648","Medium Reliability","Manual Check passed"]
[4599,"O=C1CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCN1\n\n\n","O=C1CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCN1","O=C1NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCC1","",1,"1,8,15,22-tetraazacyclooctacosane-2,9,16,23-tetr(1)","5834-63-9(1)","3669","Medium Reliability","Manual Check passed"]
[4600,"[Na+].CNC([S-])=S\n\n\n","CNC(=S)S","N(C(=S)S)C","",1,"methyldithiocarbamicacid,nasalt(1)","137-42-8(1)","1534","Medium Reliability","Manual Check passed"]
[4601,"NC(=NO)C(N)=NO\nNC(=N)C(NO)=NO\nNC(NO)=C(N)N=O\n","ON=C(C(=NO)N)N","ON=C(N)C(=NO)N","",1,"ethanediimidamide,n,n''-dihydroxy-(1)","2580-79-2(1)","3240","High Reliability","Manual Check passed"]
[4602,"OC(=O)C(Br)=CBr\n\n\n","OC(=O)C(=CBr)Br","O=C(O)C(=CBr)Br","",1,"2,3-Dibromo-acrylic acid(1)","1578-72-9(1)","2933","Medium Reliability","Manual Check passed"]
[4603,"[Na+].[O-]C(=O)C(F)(F)C(F)F\n\n\n","FC(C(C(=O)O)(F)F)F","O=C(O)C(F)(F)C(F)F","",1,"propanoicacid,2,2,3,3-tetrafluoro-,sodiumsal(1)","22898-01-7(1)","4329","Medium Reliability","Manual Check passed"]
[4604,"N=c1oc(=N)oc(=N)o1\n\n\n","N=c1oc(=N)oc(=N)o1","N=C1OC(=N)OC(=N)O1","",1,"1,3,5-Trioxane-2,4,6-triimine(1)","462-02-2(1)","1806","Medium Reliability","Manual Check passed"]
[4605,"CC=C(Cl)Cl\n\n\n","CC=C(Cl)Cl","C(=C(Cl)Cl)C","",1,"DICHLOROPROPENE(1)","26952-23-8(1)","4435","Medium Reliability","Manual Check passed"]
[4606,"OCC(O)C=O\n\n\n","OC(C=O)CO","O=CC(O)CO","",1,"propanal,2,3-dihydroxy-,(ñ)-(1)","56-82-6(1)","108","Medium Reliability","Manual Check passed"]
[4607,"CCS(=O)(=O)CI\n\n\n","CCS(=O)(=O)CI","O=S(=O)(CC)CI","",1,"Ethane, [(iodomethyl)sulfonyl]-(1)","31355-01-8(1)","4523","Medium Reliability","Manual Check passed"]
[4608,"NC(=N)NCC(O)=O\n\n\n","NC(=N)NCC(=O)O","O=C(O)CNC(=N)N","",1,"Glycocyamine(1)","352-97-6(1)","1750","Medium Reliability","Manual Check passed"]
[4609,"NC(N)=NCCS(O)(=O)=O\n\n\n","NC(=NCCS(=O)(=O)O)N","O=S(=O)(O)CCN=C(N)N","",1,"ethanesulfonicacid,2-[(aminoiminomethyl)amino](1)","543-18-0(1)","2096","Medium Reliability","Manual Check passed"]
[4610,"C1NNCN2CNNCN12\n\n\n","N1NCN2N(C1)CNNC2","N1NCN2N(C1)CNNC2","",1,"[1,2,4,5]tetrazino[1,2-a][1,2,4,5]tetrazine,oct(1)","1743-13-1(1)","2977","Medium Reliability","Manual Check passed"]
[4611,"[O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC([N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","",1,"1,3-Propanediol, 2-nitro-2- (nitrooxy)methyl -,(1)","20820-44-4(1)","4278","Medium Reliability","Manual Check passed"]
[4612,"NCC(=O)NCC(O)=O\n[H+].[Cl-].NCC(=O)NCC(O)=O\n\n","NCC(=O)NCC(=O)O","O=C(O)CNC(=O)CN","",1,"gycylglycine(1)","556-50-3(1)","2157","Medium Reliability","Manual Check passed"]
[4613,"[O-][N+](=O)OCCOCCO[N+]([O-])=O\n\n\n","[O-][N+](=O)OCCOCCO[N+](=O)[O-]","O=[N+]([O-])OCCOCCO[N+](=O)[O-]","",1,"diethylenediglycol,dinitrate(1)","693-21-0(1)","2636","Medium Reliability","Manual Check passed"]
[4614,"CCS(=O)(=O)CCBr\n\n\n","BrCCS(=O)(=O)CC","O=S(=O)(CC)CCBr","",1,"Ethane, 1-bromo-2-(ethylsulfonyl)-(1)","30129-83-0(1)","4499","Medium Reliability","Manual Check passed"]
[4615,"CCOP(=O)(OCC)C(Cl)(Cl)Cl\n\n\n","CCOP(=O)(C(Cl)(Cl)Cl)OCC","O=P(OCC)(OCC)C(Cl)(Cl)Cl","",1,"phosphonicacid,(trichloromethyl)-,diethylest(1)","866-23-9(1)","2718","Medium Reliability","Manual Check passed"]
[4616,"OC1COC(O)C(O)C1O\nOCC(O)C(O)C(O)C=O\n\n","OC1COC(C(C1O)O)O","OC1OCC(O)C(O)C1(O)","",1,"d-xylose(1)","58-86-6(1)","158","High Reliability","Manual Check passed"]
[4617,"CCNC(C)C(O)=O\n\n\n","CC(C(=O)O)NCC","O=C(O)C(NCC)C","",1,"DL-Alanine, N-ethyl-(1)","64991-30-6(1)","5045","High Reliability","Manual Check passed"]
[4618,"CC(C)(S)C(N)C(O)=O\n\n\n","NC(C(S)(C)C)C(=O)O","O=C(O)C(N)C(C)(C)S","",1,"pencillamine(1)","52-67-5(1)","64","Medium Reliability","Manual Check passed"]
[4619,"CCCCN(C)N=O\nCCCCNCN=O\n\n","CN(N=O)CCCC","O=NN(C)CCCC","",1,"n-nitrosomethylbutylamine(1)","7068-83-9(1)","3812","High Reliability","Manual Check passed"]
[4620,"CCCCOC(=O)NS(N)(=O)=O\n\n\n","CCCCOC(=O)NS(=O)(=O)N","O=C(OCCCC)NS(=O)(=O)N","",1,"Carbamic acid, sulfamoyl-, butyl ester(1)","90324-88-2(1)","5351","Medium Reliability","Manual Check passed"]
[4621,"CCNC(=S)NCC\nCCN(CC)C(N)=S\n\n","CCNC(=S)NCC","N(C(NCC)=S)CC","",1,"n,n-diethylthiourea(1)","105-55-5(1)","975","Medium Reliability","Manual Check passed"]
[4622,"NS(=O)(=O)c1ccc(O)nc1\n\n\n","Oc1ccc(cn1)S(=O)(=O)N","O=S(=O)(N)c1cnc(O)cc1","",1,"3-Pyridinesulfonamide, 6-hydroxy-(1)","89322-91-8(1)","5336","Medium Reliability","Manual Check passed"]
[4623,"Cc1c[nH]c(=S)[nH]c1=O\n\n\n","Cc1c[nH]c(=S)[nH]c1=O","O=C1NC(NC=C1C)=S","",1,"4(1h)-pyrimidinone,2,3-dihydro-5-methyl-2-thiox(1)","636-26-0(1)","2591","Medium Reliability","Manual Check passed"]
[4624,"NC(CSC(Cl)=CCl)C(O)=O\n\n\n","NC(C(=O)O)CSC(=CCl)Cl","O=C(O)C(N)CSC(=CCl)Cl","",1,"S-<(E)-1,2-dichloro-vinyl>-L-cysteine(1)","627-72-5(1)","2548","Medium Reliability","Manual Check passed"]
[4625,"OC(=O)CNC(=S)SCC(O)=O\n\n\n","OC(=O)CNC(=S)SCC(=O)O","O=C(O)CNC(=S)SCC(=O)O","",1,"glycine,n-(dithiocarboxy)-,n-esterwithmercap(1)","29677-65-4(1)","4490","Medium Reliability","Manual Check passed"]
[4626,"CC(Br)C(C)(Br)C(O)=O\n\n\n","CC(C(=O)O)(C(Br)C)Br","O=C(O)C(C)(C(C)Br)Br","",1,"Butanoic acid, 2,3-dibromo-2-methyl-(1)","91114-65-7(1)","5363","Medium Reliability","Manual Check passed"]
[4627,"NC1=NC(CCS1)C(O)=O\n\n\n","OC(=O)C1CCSC(=N1)N","O=C(O)C1N=C(N)SCC1","",1,"4H-1,3-Thiazine-4-carboxylic acid, 2-amino-5,6-d(1)","103983-05-7(1)","5484","Medium Reliability","Manual Check passed"]
[4628,"ClCCNC(=O)N(CCCl)N=O\n\n\n","ClCCNC(=O)N(CCCl)N=O","O=NN(C(=O)NCCCl)CCCl","",1,"1,3-bis(2-chloroet)-1-nitrosourea(1)","154-93-8(1)","1636","Medium Reliability","Manual Check passed"]
[4629,"CCOC(=O)CN(N=O)C(N)=O\n\n\n","CCOC(=O)CN(C(=O)N)N=O","O=NN(C(=O)N)CC(=O)OCC","",1,"glycine,n-(aminocarbonyl)-n-nitroso-,ethylest(1)","67792-85-2(1)","5089","Medium Reliability","Manual Check passed"]
[4630,"CC1OC1C2OC2C\n\n\n","CC1OC1C1OC1C","O1C(C)C1C2OC2(C)","",1,"GALATITOL, 2,3:4,5-DIANHYDRO-1,6-DIDEOXY-(1)","51065-35-1(1)","4795","Medium Reliability","Manual Check passed"]
[4631,"CCOC(=S)SC(C)C(O)=O\n\n\n","CC(C(=O)O)SC(=S)OCC","O=C(O)C(C)SC(OCC)=S","",1,"Propanoic acid, 2-[(ethoxythioxomethyl)thio]-(1)","51440-83-6(1)","4811","Medium Reliability","Manual Check passed"]
[4632,"CC(SC(C)C(O)=O)C(O)=O\n\n\n","CC(C(=O)O)SC(C(=O)O)C","O=C(O)C(C)SC(C(=O)O)C","",1,"propanoicacid,2,2'-thiobis(1)","5811-50-7(1)","3664","Medium Reliability","Manual Check passed"]
[4633,"COC(=O)OC(C)C(=O)OC\n\n\n","COC(=O)OC(C(=O)OC)C","O=C(OC)OC(C(=O)OC)C","",1,"propanoicacid,2-[(methoxycarbonyl)oxy]-,methy(1)","6288-11-5(1)","3731","Medium Reliability","Manual Check passed"]
[4634,"CCOC(C)C(=O)C(O)O\n\n\n","CCOC(C(=O)C(O)O)C","O=C(C(O)O)C(OCC)C","",1,"2-BUTANONE, 3-ETHOXY-1,1-DIHYDROXY-; OR KETHOXAL(1)","27762-78-3(1)","4452","Medium Reliability","Manual Check passed"]
[4635,"CC1NC(C)SC(C)S1\n\n\n","CC1NC(C)SC(S1)C","N1C(C)SC(C)SC1C","",1,"4H-1,3,5-Dithiazine, dihydro-2,4,6-trimethyl-,(1)","638-17-5(1)","2601","Medium Reliability","Manual Check passed"]
[4636,"OCC1OC(OP(O)(O)=O)C(O)C(O)C1O\n\n\n","OCC1OC(OP(=O)(O)O)C(C(C1O)O)O","O=P(O)(O)OC1OC(CO)C(O)C(O)C1(O)","",1,"a-glucose-1-phosphate(1)","59-56-3(1)","173","Medium Reliability","Manual Check passed"]
[4637,"[O-][N+](=O)Nc1c(Br)cccc1Br\n\n\n","Brc1cccc(c1N[N+](=O)[O-])Br","O=[N+]([O-])Nc1c(cccc1Br)Br","",1,"Benzenamine, 2,6-dibromo-N-nitro-(1)","54381-71-4(1)","4889","Medium Reliability","Manual Check passed"]
[4638,"[O-][N+](=O)Nc1ccc(Cl)cc1Cl\n\n\n","[O-][N+](=O)Nc1ccc(cc1Cl)Cl","O=[N+]([O-])Nc1ccc(cc1Cl)Cl","",1,"Benzenamine, 2,4-dichloro-N-nitro-(1)","69732-99-6(1)","5127","Medium Reliability","Manual Check passed"]
[4639,"[O-][N+](=O)Nc1ccccc1[N+]([O-])=O\n\n\n","[O-][N+](=O)Nc1ccccc1[N+](=O)[O-]","O=[N+]([O-])Nc1ccccc1[N+](=O)[O-]","",1,"Benzenamine, N,2-dinitro-(1)","55704-91-1(1)","4918","Medium Reliability","Manual Check passed"]
[4640,"ON=C1C=CC(=O)C=C1\nOc1ccc(cc1)N=O\n\n","ON=C1C=CC(=O)C=C1","O=C1C=CC(=NO)C=C1","",1,"p-benzoquinoneoxime(1)","637-62-7(1)","2597","Medium Reliability","Manual Check passed"]
[4641,"OC(=O)Cc1c[nH]c(=O)[nH]c1=O\n\n\n","OC(=O)Cc1c[nH]c(=O)[nH]c1=O","O=C(O)CC1=CNC(=O)NC1(=O)","",1,"5-pyrimidineaceticacid,1,2,3,4-tetrahydro-2,4-(1)","20763-91-1(1)","4273","Medium Reliability","Manual Check passed"]
[4642,"OP(O)(=O)c1cccc(c1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1cccc(c1)P(=O)(O)O","O=[N+]([O-])c1cccc(c1)P(=O)(O)O","",1,"phosphonicacid,3-(nitrophenyl)-(1)","5337-19-9(1)","3587","Medium Reliability","Manual Check passed"]
[4643,"OC(=O)C1C(C1C(O)=O)C(O)=O\n\n\n","OC(=O)C1C(C1C(=O)O)C(=O)O","O=C(O)C1C(C(=O)O)C1(C(=O)O)","",1,"1,2,3-Cyclopropanetricarboxylic acid(1)","48126-70-1(1)","4773","Medium Reliability","Manual Check passed"]
[4644,"CN1C(=O)C(C(=O)N(C)C1=O)[N+]([O-])=O\n\n\n","[O-][N+](=O)C1C(=O)N(C)C(=O)N(C1=O)C","O=C1N(C(=O)C(C(=O)N1C)[N+](=O)[O-])C","",1,"2,4,6(1h,3h,5h)-pyrimidinetrione,1,3-dimethyl-5(1)","14305-99-8(1)","4026","Medium Reliability","Manual Check passed"]
[4645,"COCc1ccc(o1)[N+]([O-])=O\n\n\n","[O-][N+](=O)c1ccc(o1)COC","O=[N+]([O-])c1oc(cc1)COC","",1,"2-(methoxymethyl)-5-no2furan(1)","586-84-5(1)","2260","Medium Reliability","Manual Check passed"]
[4646,"Nc1cc(c(N)c(c1)S(O)(=O)=O)S(O)(=O)=O\n\n\n","Nc1cc(c(c(c1)S(=O)(=O)O)N)S(=O)(=O)O","O=S(=O)(O)c1cc(N)cc(c1(N))S(=O)(=O)O","",1,"1,3-Benzenesulfonic acid, 2,5-diamino(1)","6409-48-9(1)","3752","Medium Reliability","Manual Check passed"]
[4647,"CC1(CCOC1=O)C(O)=O\n\n\n","OC(=O)C1(C)CCOC1=O","O=C(O)C1(C(=O)OCC1)(C)","",1,"3-furancarboxylicacid,tetrahydro-3-methyl-2-ox(1)","7473-09-8(1)","3846","Medium Reliability","Manual Check passed"]
[4648,"CNC(=O)N(C)C(=O)CC#N\n\n\n","CN(C(=O)NC)C(=O)CC#N","N#CCC(=O)N(C(=O)NC)C","",1,"acetamide,2-cyano-n-methyl-n-(methylamino)carb(1)","39615-79-7(1)","4718","Medium Reliability","Manual Check passed"]
[4649,"Nc1ncnc(NCC=C)n1\n\n\n","C=CCNc1ncnc(n1)N","n1cnc(nc1N)NCC=C","",1,"s-Triazine, 2-(allylamino)-4-amino-(1)","98197-51-4(1)","5417","Medium Reliability","Manual Check passed"]
[4650,"OS(=O)(=O)c1c(Br)c(Br)c(Br)c(Br)c1Br\n\n\n","Brc1c(Br)c(Br)c(c(c1Br)S(=O)(=O)O)Br","O=S(=O)(O)c1c(c(c(c(c1Br)Br)Br)Br)Br","",1,"Benzenesulfonic acid, pentabromo-(1)","98137-88-3(1)","5416","Medium Reliability","Manual Check passed"]
[4651,"Cn1cnc2N(C)C(=O)NCc12\n\n\n","CN1C(=O)NCc2c1ncn2C","O=C2NCc1c(ncn1C)N2C","",1,"Purin-2(1H)-one, 3,6-dihydro-3,7-dimethyl-(1)","98335-22-9(1)","5418","Medium Reliability","Manual Check passed"]
[4652,"CCCC(=O)CC(=O)C(O)=O\n\n\n","CCCC(=O)CC(=O)C(=O)O","O=C(O)C(=O)CC(=O)CCC","",1,"Heptanoic acid, 2,4-dioxo-(1)","60415-20-5(1)","4993","Medium Reliability","Manual Check passed"]
[4653,"CCOC(=O)C(=C)CC(O)=O\nCCOC(=O)C(C)=CC([O-])=O\n\n","CCOC(=O)C(=C)CC(=O)O","O=C(O)CC(=C)C(=O)OCC","",2,"2-Butenedioic acid, 2-methyl-, 4-ethyl ester, (E(1), 2-Butenedioic acid, 2-methyl-, 1-ethyl ester, (E(1)","66261-38-9(1), 89966-38-1(1)","5061, 5344","Medium Reliability","Manual Check passed"]
[4654,"CC(=C)C(CC(O)=O)C(O)=O\n\n\n","OC(=O)CC(C(=O)O)C(=C)C","O=C(O)CC(C(=O)O)C(=C)C","",1,"Butanedioic acid, (1-methylethenyl)-(1)","87989-21-7(1)","5326","Medium Reliability","Manual Check passed"]
[4655,"OC(=O)CSC(SCC(O)=O)SCC(O)=O\n\n\n","OC(=O)CSC(SCC(=O)O)SCC(=O)O","O=C(O)CSC(SCC(=O)O)SCC(=O)O","",1,"aceticacid,2,2',2''-[methylidynetris(thio)]tri(1)","34914-39-1(1)","4603","Medium Reliability","Manual Check passed"]
[4656,"CC(Br)C(=O)NCC(=O)NCC(O)=O\n\n\n","O=C(NCC(=O)O)CNC(=O)C(Br)C","O=C(O)CNC(=O)CNC(=O)C(C)Br","",1,"Glycine, N-[N-(2-bromo-1-oxopropyl)glycyl]-, (.+(1)","60662-64-8(1)","4999","Medium Reliability","Manual Check passed"]
[4657,"CCC#CC(C)C\n\n\n","CCC#CC(C)C","C(#CC(C)C)CC","",1,"2-Methyl-3-hexyne(1)","36566-80-0(1)","4632","Medium Reliability","Manual Check passed"]
[4658,"CC(CCC(O)=O)CC(O)=O\n\n\n","OC(=O)CCC(CC(=O)O)C","O=C(O)CCC(C)CC(=O)O","",1,"HEXANEDIOIC ACID, 3-METHYL-; OR 3-methyladipic a(1)","3058-01-3(1)","3319","Medium Reliability","Manual Check passed"]
[4659,"OC(=O)CSCCCSCC(O)=O\n\n\n","OC(=O)CSCCCSCC(=O)O","O=C(O)CSCCCSCC(=O)O","",1,"Acetic acid, 2,2'-[1,3-propanediylbis(thio)]bis-(1)","5065-18-9(1)","3559","Medium Reliability","Manual Check passed"]
[4660,"CC(C)OC(=O)C(C)(C)O\n\n\n","CC(OC(=O)C(O)(C)C)C","O=C(OC(C)C)C(O)(C)C","",1,"Propanoic acid, 2-hydroxy-2-methyl-, 1-methyleth(1)","34900-10-2(1)","4602","Medium Reliability","Manual Check passed"]
[4661,"CCCCCC(N)C(O)=O\n\n\n","CCCCCC(C(=O)O)N","O=C(O)C(N)CCCCC","",1,"Heptanoic acid, 2-amino-, (.+-.)-(1)","1115-90-8(1)","2829","Medium Reliability","Manual Check passed"]
[4662,"CNC(CC(C)C)C(O)=O\n\n\n","CNC(C(=O)O)CC(C)C","O=C(O)C(NC)CC(C)C","",1,"L-Leucine, N-methyl-(1)","3060-46-6(1)","3320","Medium Reliability","Manual Check passed"]
[4663,"COC(C)COC(C)CO\n\n\n","OCC(OCC(OC)C)C","OCC(OCC(OC)C)C","",1,"DIPROPYLENE GLYCOL METHYL ETHER(1)","34590-94-8(1)","4591","Medium Reliability","Manual Check passed"]
[4664,"Nc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O\n\n\n","[O-][N+](=O)c1cc(C(=O)O)c(c(c1)[N+](=O)[O-])N","O=C(O)c1cc(cc(c1(N))[N+](=O)[O-])[N+](=O)[O-]","",1,"Benzoic acid, 2-amino-3,5-dinitro-(1)","609-97-2(1)","2403","Medium Reliability","Manual Check passed"]
[4665,"NC(=S)Nc1cc(ccc1)[N+]([O-])=O\nNC(=S)Nc1ccccc1[N+]([O-])=O\n\n","NC(=S)Nc1cccc(c1)[N+](=O)[O-]","O=[N+]([O-])c1cccc(c1)NC(N)=S","",1,"thiourea,3-(nitrophenyl)-(1)","709-72-8(1)","2653","Medium Reliability","Manual Check passed"]
[4666,"NS(=O)(=O)c1cc2c(s1)SCCC2=O\n\n\n","O=C1CCSc2c1cc(s2)S(=O)(=O)N","O=C2c1cc(sc1SCC2)S(=O)(=O)N","",1,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH(1)","105951-31-3(1)","5495","Medium Reliability","Manual Check passed"]
[4667,"CCc1[nH]c(C(O)=O)c(n1)C(O)=O\n\n\n","CCc1nc(c([nH]1)C(=O)O)C(=O)O","O=C(O)c1nc([nH]c1(C(=O)O))CC","",1,"1H-Imidazole-4,5-dicarboxylic acid, 2-ethyl-(1)","58954-22-6(1)","4966","Medium Reliability","Manual Check passed"]
[4668,"Cc1c(CC(O)=O)c(=O)[nH]c(=O)[nH]1\n\n\n","OC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O","O=C1NC(=O)C(=C(N1)C)CC(=O)O","",1,"5-Pyrimidineacetic acid, 1,2,3,4-tetrahydro-6-me(1)","38580-22-2(1)","4688","Medium Reliability","Manual Check passed"]
[4669,"CCOC(=O)C1N=C(Br)N=C1C\n\n\n","CC1=NC(=NC1C(=O)OCC)Br","O=C(OCC)C1N=C(N=C1(C))Br","",1,"1H-Imidazole-4-carboxylic acid, 2-bromo-5-methyl(1)","95470-42-1(1)","5394","Medium Reliability","Manual Check passed"]
[4670,"NS(=O)(=O)c1cc(F)c(SCCO)cc1\n\n\n","OCCSc1ccc(cc1F)S(=O)(=O)N","O=S(=O)(N)c1ccc(c(F)c1)SCCO","",1,"BENZENESULFONAMIDE, 3-FLUORO-4-[(2-HYDROXYETHYL)(1)","108966-70-7(1)","5545","Medium Reliability","Manual Check passed"]
[4671,"NS(=O)(=O)c1cc(F)c(cc1)S(=O)(=O)CCO\n\n\n","OCCS(=O)(=O)c1ccc(cc1F)S(=O)(=O)N","O=S(=O)(N)c1ccc(c(F)c1)S(=O)(=O)CCO","",1,"BENZENESULFONAMIDE, 3-FLUORO-4-[(2-HYDROXYETHYL)(1)","108966-76-3(1)","5548","Medium Reliability","Manual Check passed"]
[4672,"NS(=O)(=O)c1cc(c(SCCO)cc1)[N+]([O-])=O\n\n\n","OCCSc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N","O=[N+]([O-])c1cc(ccc1SCCO)S(=O)(=O)N","",1,"BENZENESULFONAMIDE, 4-[(2-HYDROXYETHYL)THIO]-3-N(1)","108966-58-1(1)","5541","Medium Reliability","Manual Check passed"]
[4673,"Cn1c2c([nH]c(C)n2)c(=O)n(C)c1=O\n\n\n","Cc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C","O=C2c1[nH]c(nc1N(C(=O)N2C)C)C","",1,"1h-purine-2,6-dione,3,7-dihydro-1,3,8-trimethyl(1)","830-65-9(1)","2708","Medium Reliability","Manual Check passed"]
[4674,"OC(=O)CC(C(CC(O)=O)C(O)=O)C(O)=O\n\n\n","OC(=O)C(C(C(=O)O)CC(=O)O)CC(=O)O","O=C(O)CC(C(=O)O)C(C(=O)O)CC(=O)O","",1,"Butane-1,2,3,4-tetracarboxylic acid, racemic(1)","1703-58-8(1)","2967","Medium Reliability","Manual Check passed"]
[4675,"NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCO\n\n\n","OCCS(=O)(=O)c1ccc(cc1)S(=O)(=O)N","O=S(=O)(N)c1ccc(cc1)S(=O)(=O)CCO","",1,"BENZENESULFONAMIDE, 4-[(2-HYDROXYETHYL)SULFONYL](1)","108966-49-0(1)","5535","Medium Reliability","Manual Check passed"]
[4676,"CC1=C(CCCC1)C(O)=O\n\n\n","CC1=C(CCCC1)C(=O)O","O=C(O)C1=C(C)CCCC1","",1,"1-Cyclohexene-1-carboxylic acid, 2-methyl-(1)","13148-94-2(1)","3956","High Reliability","Manual Check passed"]
[4677,"CCCCC(=O)CC(=O)C(O)=O\n\n\n","CCCCC(=O)CC(=O)C(=O)O","O=C(O)C(=O)CC(=O)CCCC","",1,"Octanoic acid, 2,4-dioxo-(1)","60415-21-6(1)","4994","Medium Reliability","Manual Check passed"]
[4678,"CC(C(CC=C)C(O)=O)C(O)=O\n\n\n","CC(C(=O)O)C(C(=O)O)CC=C","O=C(O)C(C)C(C(=O)O)CC=C","",1,"Succinic acid, 2-allyl-3-methyl-, erythro-(1)","16631-06-4(1)","4108","Medium Reliability","Manual Check passed"]
[4679,"OCC1OCOC2C1OCOC2C(O)=O\n\n\n","OCC1OCOC2C1OCOC2C(=O)O","O=C(O)C1OCOC2C(OCOC12)CO","",1,"d-gluconicacid,2,4:3,5-di-o-methylene-(1)","5323-77-3(1)","3583","Medium Reliability","Manual Check passed"]
[4680,"CC(C)C(NCCC#N)C(O)=O\n\n\n","CC(C(C(=O)O)NCCC#N)C","N#CCCNC(C(=O)O)C(C)C","",1,"N-<2-cyano-ethyl>-valine(1)","51078-49-0(1)","4798","Medium Reliability","Manual Check passed"]
[4681,"OC(=O)CSC1CCCCC1\n\n\n","OC(=O)CSC1CCCCC1","O=C(O)CSC1CCCCC1","",1,"Cyclohexylmercapto-acetic acid(1)","52363-15-2(1)","4833","Medium Reliability","Manual Check passed"]
[4682,"SC(=O)CCCCCCC(S)=O\n\n\n","SC(=O)CCCCCCC(=O)S","O=C(CCCCCCC(=O)S)S","",1,"Octanebis(thioic) acid(1)","49861-19-0(1)","4778","Medium Reliability","Manual Check passed"]
[4683,"CC1CCCCC1(O)C(O)=O\n\n\n","CC1CCCCC1(O)C(=O)O","O=C(O)C1(O)(CCCCC1(C))","",1,"Cyclohexanecarboxylic acid, 1-hydroxy-2-methyl-(1)","69687-19-0(1)","5124","Medium Reliability","Manual Check passed"]
[4684,"CCC(SSC(CC)C(O)=O)C(O)=O\n\n\n","CCC(C(=O)O)SSC(C(=O)O)CC","O=C(O)C(CC)SSC(C(=O)O)CC","",1,"Butyric acid, 2,2'-dithiodi-(1)","90114-01-5(1)","5348","Medium Reliability","Manual Check passed"]
[4685,"CC(O)(CCC(C)(O)C(O)=O)C(O)=O\n\n\n","OC(=O)C(CCC(C(=O)O)(O)C)(O)C","O=C(O)C(O)(C)CCC(O)(C(=O)O)C","",1,"Hexanedioic acid, 2,5-dihydroxy-2,5-dimethyl-(1)","108967-69-7(1)","5551","Medium Reliability","Manual Check passed"]
[4686,"CNc1nc(NC(C)C)nc(OC)n1\n\n\n","CNc1nc(NC(C)C)nc(n1)OC","n1c(nc(nc1NC)NC(C)C)OC","",1,"g-32292(aratone)(1)","3035-45-8(1)","3317","Medium Reliability","Manual Check passed"]
[4687,"CC1CCC(CC1)C(N)=O\n\n\n","CC1CCC(CC1)C(=O)N","O=C(N)C1CCC(C)CC1","",1,"Cyclohexanecarboxamide, 4-methyl-, trans-(1)","60940-94-5(1)","5001","Medium Reliability","Manual Check passed"]
[4688,"CCC(CC)COC(C)=O\nCCC(CC)CO.CC(O)=O\n\n","CCC(COC(=O)C)CC","O=C(OCC(CC)CC)C","",1,"1-butanol,2-ethyl-,acetate(1)","10031-87-5(1)","3896","High Reliability","Manual Check passed"]
[4689,"CC(C)CCC(C)C(O)=O\n\n\n","CC(C(=O)O)CCC(C)C","O=C(O)C(C)CCC(C)C","",1,"Hexanoic acid, 2,5-dimethyl-(1)","90201-13-1(1)","5349","Medium Reliability","Manual Check passed"]
[4690,"COC(OC)C=CC(OC)OC\n\n\n","COC(C=CC(OC)OC)OC","O(C)C(OC)C=CC(OC)OC","",1,"1,1,4,4-Tetramethoxy-but-2-ene(1)","5370-08-1(1)","3594","Medium Reliability","Manual Check passed"]
[4691,"ClCCN(CCCl)P1(=O)NCCCCO1\n\n\n","ClCCN(P1(=O)NCCCCO1)CCCl","O=P1(OCCCCN1)N(CCCl)CCCl","",1,"1,3,2-Oxazaphosphepin-2(3H)-amine, N,N-bis(2-chl(1)","70772-73-5(1)","5147","Medium Reliability","Manual Check passed"]
[4692,"CCCC1CCCNC1\n\n\n","CCCC1CCCNC1","N1CCCC(C1)CCC","",1,"Piperidine, 3-propyl-,(1)","13603-14-0(1)","3993","Medium Reliability","Manual Check passed"]
[4693,"CCCCCC(O)CC\n\n\n","CCCCCC(CC)O","OC(CC)CCCCC","",1,"3-Octanol, (.+-.)-(1)","20296-29-1(1)","4255","Medium Reliability","Manual Check passed"]
[4694,"OC(=O)c1c(C(O)=O)c(ncc1)C(O)=O\n\n\n","OC(=O)c1c(ccnc1C(=O)O)C(=O)O","O=C(O)c1nccc(C(=O)O)c1(C(=O)O)","",1,"2,3,4-Pyridinetricarboxylic acid(1)","632-95-1(1)","2583","High Reliability","Manual Check passed"]
[4695,"Oc1c(O)nc2ccccc2n1\nO=c1[nH]c2ccccc2[nH]c1=O\n\n","Oc1nc2ccccc2nc1O","Oc1nc2ccccc2(nc1(O))","",1,"quinoxaline-1,4-dihydro-2,3-dione(1)","15804-19-0(1)","4078","Medium Reliability","Manual Check passed"]
[4696,"COC(=O)c1cc(Br)c(O)cc1\n\n\n","COC(=O)c1ccc(c(c1)Br)O","O=C(OC)c1ccc(O)c(c1)Br","",1,"Benzoic acid, 3-brom-4-hydroxy-, methyl ester(1)","29415-97-2(1)","4481","Medium Reliability","Manual Check passed"]
[4697,"NS(=O)(=O)c1cccc(C(O)=O)c1C(O)=O\n\n\n","OC(=O)c1cccc(c1C(=O)O)S(=O)(=O)N","O=C(O)c1cccc(c1(C(=O)O))S(=O)(=O)N","",1,"Phthalic acid, 3-sulfamoyl-(1)","94617-43-3(1)","5391","Medium Reliability","Manual Check passed"]
[4698,"Nc1ccc(cc1)S(=O)(=O)Nc2nncs2\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1scnn1","O=S(=O)(Nc1nncs1)c2ccc(N)cc2","",1,"benzenesulfonamide,4-amino-n-1,3,4-thiadiazol-2(1)","16806-29-4(1)","4119","Medium Reliability","Manual Check passed"]
[4699,"Nc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1\n\n\n","Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)N","O=S(=O)(Nc1nnc(N)s1)c2ccc(N)cc2","",1,"Benzenesulfonamide, 4-amino-N-(5-amino-1,3,4-thi(1)","71119-25-0(1)","5153","Medium Reliability","Manual Check passed"]
[4700,"Cc1ccc(cc1S(=O)(=O)NCC(O)=O)[N+]([O-])=O\n\n\n","OC(=O)CNS(=O)(=O)c1cc(ccc1C)[N+](=O)[O-]","O=C(O)CNS(=O)(=O)c1cc(ccc1C)[N+](=O)[O-]","",1,"Glycine, N-[(2-methyl-5-nitrophenyl)sulfonyl]-(1)","67320-39-2(1)","5080","Medium Reliability","Manual Check passed"]
[4701,"CC(O)(C(O)=O)c1ccccc1\n\n\n","OC(=O)C(c1ccccc1)(O)C","O=C(O)C(O)(c1ccccc1)C","",1,"benzeneaceticacid,.alpha.-hydroxy-.alpha.-meth(1)","515-30-0(1)","1967","Medium Reliability","Manual Check passed"]
[4702,"COC(=O)c1cc(O)c(OC)c(O)c1\n\n\n","COC(=O)c1cc(O)c(c(c1)O)OC","O=C(OC)c1cc(O)c(OC)c(O)c1","",1,"Benzoic acid, 3,5-dihydroxy-4-methoxy-, methyl e(1)","24093-81-0(1)","4356","Medium Reliability","Manual Check passed"]
[4703,"CN=C(O)Oc1cccc(C)c1\nCN(C([O-])=O)c1cccc(C)c1\nCNC(=O)Oc1cccc(C)c1\n","CN=C(Oc1cccc(c1)C)O","OC(=NC)Oc1cccc(c1)C","",1,"n-methyl-m-tolylcarbamate(1)","1129-41-5(1)","2848","Medium Reliability","Manual Check passed"]
[4704,"NS(=O)(=O)c1cc(F)c(SCCCO)cc1\n\n\n","OCCCSc1ccc(cc1F)S(=O)(=O)N","O=S(=O)(N)c1ccc(c(F)c1)SCCCO","",1,"BENZENESULFONAMIDE, 3-FLUORO-4-[(3-HYDROXYPROPYL(1)","108966-74-1(1)","5546","Medium Reliability","Manual Check passed"]
[4705,"NS(=O)(=O)c1cc(F)c(cc1)S(=O)(=O)CCCO\n\n\n","OCCCS(=O)(=O)c1ccc(cc1F)S(=O)(=O)N","O=S(=O)(N)c1ccc(c(F)c1)S(=O)(=O)CCCO","",1,"BENZENESULFONAMIDE, 3-FLUORO-4-[(3-HYDROXYPROPYL(1)","108966-77-4(1)","5549","Medium Reliability","Manual Check passed"]
[4706,"CCn1cnc2c1c(=O)n(C)c(=O)n2C\n\n\n","CCn1cnc2c1c(=O)n(C)c(=O)n2C","O=C2c1c(ncn1CC)N(C(=O)N2C)C","",1,"1h-purine-2,6-dione,7-ethyl-3,7-dihydro-1,3-dim(1)","23043-88-1(1)","4335","Medium Reliability","Manual Check passed"]
[4707,"CCn1c(=O)n(C)c2c(n(C)cn2)c1=O\n\n\n","CCn1c(=O)n(C)c2c(c1=O)n(C)cn2","O=C2c1c(ncn1C)N(C(=O)N2CC)C","",1,"1h-purine-2,6-dione,1-ethyl-3,7-dihydro-3,7-dim(1)","39832-36-5(1)","4722","Medium Reliability","Manual Check passed"]
[4708,"Cn1c(C)nc2c1n(C)c(=O)n(C)c2=O\n\n\n","Cc1nc2c(n1C)n(C)c(=O)n(c2=O)C","O=C2c1nc(n(c1N(C(=O)N2C)C)C)C","",1,"1h-purine-2,6-dione,3,9-dihydro-1,3,8,9-tetrame(1)","27038-96-6(1)","4438","Medium Reliability","Manual Check passed"]
[4709,"CCOc1ccc(NC(=O)NN)cc1\n\n\n","CCOc1ccc(cc1)NC(=O)NN","O=C(NN)Nc1ccc(OCC)cc1","",1,"HYDRAZINECARBOXAMIDE, N-(4-ETHOXYPHENYL)-(1)","74099-07-3(1)","5191","Medium Reliability","Manual Check passed"]
[4710,"NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCO\n\n\n","OCCCS(=O)(=O)c1ccc(cc1)S(=O)(=O)N","O=S(=O)(N)c1ccc(cc1)S(=O)(=O)CCCO","",1,"BENZENESULFONAMIDE, 4-[(3-HYDROXYPROPYL)SULFONYL(1)","108966-55-8(1)","5539","Medium Reliability","Manual Check passed"]
[4711,"CCCCC1(C)C(=O)NC(=O)NC1=O\n\n\n","CCCCC1(C)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(C)CCCC","",1,"2,4,6(1h,3h,5h)-pyrimidinetrione,5-butyl-5-meth(1)","53943-60-5(1)","4881","Medium Reliability","Manual Check passed"]
[4712,"CCCC1(CC)C(=O)NC(=O)NC1=O\n\n\n","CCCC1(CC)C(=O)NC(=O)NC1=O","O=C1NC(=O)C(C(=O)N1)(CC)CCC","",1,"BARBITURIC ACID, 5-ET,5-PR(1)","33376-25-9(1)","4564","Medium Reliability","Manual Check passed"]
[4713,"CCOC(=O)NC(=O)CC(=O)NC(=O)OCC\n\n\n","CCOC(=O)NC(=O)CC(=O)NC(=O)OCC","O=C(OCC)NC(=O)CC(=O)NC(=O)OCC","",1,"carbamicacid,(1,3-dioxo-1,3-propanediyl)bis-,(1)","49754-15-6(1)","4777","Medium Reliability","Manual Check passed"]
[4714,"CC(=O)C1CC(C(O)=O)C1(C)C\n\n\n","CC(=O)C1CC(C1(C)C)C(=O)O","O=C(O)C1CC(C(=O)C)C1(C)(C)","",1,"Cyclobutanecarboxylic acid, 3-acetyl-2,2-dimethy(1)","28587-41-9(1)","4467","Medium Reliability","Manual Check passed"]
[4715,"[Cl-].ClC=CC[N+]12CN3CN(CN(C3)C1)C2\n\n\n","ClC=CC[N+]12CN3CN(C2)CN(C1)C3","C(=CCl)C[N+]23(CN1CN(CN(C1)C2)C3)","",1,"n-(3-chlorallyl)hexaminiumchloride(1)","4080-31-3(1)","3457","Medium Reliability","Manual Check passed"]
[4716,"CC(C)CC(NCCC#N)C(O)=O\n\n\n","N#CCCNC(C(=O)O)CC(C)C","N#CCCNC(C(=O)O)CC(C)C","",1,"N-<2-cyano-ethyl>-L-leucine(1)","6328-87-6(1)","3743","Medium Reliability","Manual Check passed"]
[4717,"CC(CCCC(C)C(O)=O)C(O)=O\n\n\n","CC(C(=O)O)CCCC(C(=O)O)C","O=C(O)C(C)CCCC(C(=O)O)C","",1,"Heptanedioic acid, 2,6-dimethyl-, (R*,S*)-(1)","52137-33-4(1)","4829","Medium Reliability","Manual Check passed"]
[4718,"CC1(C)CC(C(O)=O)C(C)(C)N1\n\n\n","OC(=O)C1CC(NC1(C)C)(C)C","O=C(O)C1CC(NC1(C)(C))(C)C","",1,"3-Pyrrolidinecarboxylic acid, 2,2,5,5-tetramethy(1)","76193-99-2(1)","5220","Medium Reliability","Manual Check passed"]
[4719,"CCCCCCCC=C\nCC(C)CCCCC=C\n\n","CCCCCCCC=C","C=CCCCCCCC","",1,"isononene(1)","124-11-8(1)","1439","High Reliability","Manual Check passed"]
[4720,"CCC(CC)(C(=O)NC)C(=O)NC\n\n\n","CCC(C(=O)NC)(C(=O)NC)CC","O=C(NC)C(C(=O)NC)(CC)CC","",1,"Malonamide, 2,2-diethyl-N,N'-dimethyl-(1)","90728-91-9(1)","5356","Medium Reliability","Manual Check passed"]
[4721,"OC(=O)C(=O)c1ccc2OCOc2c1\n\n\n","OC(=O)C(=O)c1ccc2c(c1)OCO2","O=C(O)C(=O)c1ccc2OCOc2(c1)","",1,"1,3-Benzodioxole-5-acetic acid, .alpha.-oxo-(1)","62396-98-9(1)","5014","Medium Reliability","Manual Check passed"]
[4722,"COC(=O)c1c(cccc1[N+]([O-])=O)C(O)=O\n\n\n","COC(=O)c1c(cccc1[N+](=O)[O-])C(=O)O","O=C(O)c1cccc(c1(C(=O)OC))[N+](=O)[O-]","",1,"1,2-benzenedicarboxylicacid,3-nitro-,2-methyl(1)","6744-85-0(1)","3775","Medium Reliability","Manual Check passed"]
[4723,"NC(=O)NC(=O)c1ccccc1C(O)=O\n\n\n","NC(=O)NC(=O)c1ccccc1C(=O)O","O=C(O)c1ccccc1(C(=O)NC(=O)N)","",1,"benzoicacid,2-[[(aminocarbonyl)amino]carbonyl](1)","13435-16-0(1)","3976","Medium Reliability","Manual Check passed"]
[4724,"CNC(=O)OCc1cccc(Cl)c1Cl\n\n\n","CNC(=O)OCc1cccc(c1Cl)Cl","O=C(OCc1cccc(c1Cl)Cl)NC","",1,"Benzenemethanol, 2,3(or 3,4)-dichloro-, methyl c(1)","62046-37-1(1)","5013","Medium Reliability","Manual Check passed"]
[4725,"CC(=O)C(=NO)c1ccccc1\n\n\n","ON=C(c1ccccc1)C(=O)C","O=C(C(=NO)c1ccccc1)C","",1,"1-<hydroxyimino-(seqtrans)>-1-phenyl-acetone(1)","25355-34-4(1)","4397","Medium Reliability","Manual Check passed"]

{"sheet":"Reject_Manual_Check","index":12,"n_rows":748,"n_cols":4,"rows_kept":748}
["Original ID","CHEMICAL","CAS_NO","Warnings"]
[37,"GLUCOSE","50-99-7","Stereochemistry removed, Missing/ambiguous"]
[82,"ISONICOTINIC ACID","55-22-1","Organic counterion, Missing/ambiguous"]
[93,"Tributyl tin acetate","56-36-0","Unusual elements, Missing/ambiguous"]
[128,"Fructose","57-48-7","Stereochemistry removed, Missing/ambiguous"]
[175,"NICOTINIC ACID","59-67-6","Organic counterion, Missing/ambiguous"]
[179,"TRIBUTYRIN","60-01-5","Missing/ambiguous"]
[205,"CHLORMERODRIN","62-37-3","Unusual elements"]
[206,"PHENYLMERCURIC ACETATE","62-38-4","Unusual elements"]
[260,"Vitamin B 12","68-19-9","Stereochemistry removed, Unusual elements"]
[333,"formamideoxime","75-17-2","Manual Check failed"]
[356,"CACODYLIC ACID","75-60-5","Unusual elements"]
[366,"TETRAMETHYLSILANE","75-76-3","Unusual elements"]
[406,"TRIPHENYLTIN HYDROXIDE","76-87-9","Unusual elements, Missing/ambiguous"]
[482,"3-Furancarboxylic acid, tetrahydro-2,2-dimethyl-","79-91-4","Stereochemistry removed, Missing/ambiguous"]
[490,"benzenesulfonamide,4-amino-n-[5-(1-methylethyl)","80-34-2","Manual Check failed"]
[555,"P-NITROSALICYLIC ACID","85-38-1","Missing/ambiguous"]
[563,"2,7-NAPHTHALENEDISULFONIC ACID, 1-AMINO-","85-74-5","Missing/ambiguous"]
[580,"7-methylquinazoline-2,4-dione","86-96-4","Manual Check failed"]
[655,"L-SPARTEINE","90-39-1","Stereochemistry removed, Missing/ambiguous"]
[706,"NICOTINIC ACID, METHYL ESTER","93-60-7","Organic counterion, Missing/ambiguous"]
[786,"2-piperidinecarboxamide,n-(2,6-dimethylphenyl)-","96-88-8","Manual Check failed"]
[887,"PHENYLMERCURIC HYDROXIDE","100-57-2","Unusual elements"]
[901,"acetamide,n-[4-[[(4,6-dimethyl-2-pyrimidinyl)am","100-90-3","Manual Check failed"]
[916,"1,3,5-TRIETHYLBENZENE","102-25-0","Missing/ambiguous"]
[1029,"1-IODOPROPANE","107-08-4","Missing/ambiguous"]
[1047,"HEXAMETHYLDISILOXANE","107-46-0","Unusual elements"]
[1049,"OCTAMETHYLTRISILOXANE","107-51-7","Unusual elements"]
[1166,"sec-butylacetate","110-19-0","Manual Check failed"]
[1200,"DIISOBUTYLAMINE","110-96-3","Stereochemistry removed, Missing/ambiguous"]
[1251,"BIS (2-ETHOXY ETHYL)  ETHER","112-36-7","Organic counterion, Unusual elements, Inorganic"]
[1333,"2-naphthalenesulfonicacid,4-hydroxy-6-(phenyla","119-19-7","Manual Check failed"]
[1429,"ARETAN","123-88-6","Unusual elements"]
[1448,"METHANE ARSONATE","124-58-3","Unusual elements, Inorganic"]
[1457,"GRISEOFULVIN","126-07-8","Stereochemistry removed, Missing/ambiguous"]
[1466,"Oxanamide","126-93-2","Missing/ambiguous"]
[1478,"acetamide,n-[4-[[(4-methyl-2-pyrimidinyl)amino]","127-73-1","Manual Check failed"]
[1482,"Silver Lactate","128-00-7","Organic counterion, Unusual elements, Inorganic"]
[1567,"DECAMETHYLTETRASILOXANE","141-62-8","Unusual elements"]
[1600,"DSMA","144-21-8","Unusual elements"]
[1611,"ARABINOSE","147-81-9","Stereochemistry removed, Missing/ambiguous"]
[1630,"POTASSIUM CYANIDE","151-50-8","Organic counterion, Unusual elements, Inorganic"]
[1662,"12h-benzo[c]phenothiazine","225-83-2","Manual Check failed"]
[1706,"HYDRAZINE","302-01-2","Inorganic"]
[1714,"Benzenepropanoic acid, .alpha.,beta.-dihydroxy-","306-23-0","Manual Check failed"]
[1753,"GLYCODEOXYCHOLIC ACID","360-65-6","Stereochemistry removed, Manual Check failed"]
[1754,"2,4,6-Cycloheptatrien-1-one, 3,5,7-tribromo-2-hy","363-67-7","Missing/ambiguous"]
[1759,"BENZENEDIAZONIUM HEXAFLUOPHOSPHATE (1-)","369-58-4","Inorganic"]
[1768,"Triphenyltin fluoride","379-52-2","Unusual elements, Missing/ambiguous"]
[1782,"Azuleno[6,5-b]furan-2,6-(3H,4H)-dione, 3a,7,7a,8","436-45-3","Stereochemistry removed, Manual Check failed"]
[1817,"Cyclopentanecarboxylic acid, 1,2,2,3-tetramethyl","464-88-0","Missing/ambiguous"]
[1823,"1,3-Cyclopentanedicarboxylic acid, 1,4,4-trimeth","470-64-4","Missing/ambiguous"]
[1829,"2H-Pyran-2,5-dicarboxylic acid, tetrahydro-2,6,6","473-18-7","Missing/ambiguous"]
[1832,"Cyclopentaneacetic acid, 3-carboxy-.alpha.,.alph","473-35-8","Manual Check failed"]
[1840,"Safranine T","477-73-6","Missing/ambiguous"]
[1845,"3h-pyrazol-3-one,1,2-dihydro-1,5-dimethyl-4-(1-","479-92-5","Manual Check failed"]
[1867,"1h-pyrrole-3-propanoicacid,2,5-dihydro-4-methy","487-65-0","Manual Check failed"]
[1874,"ICHTHYOPTE","490-58-4","Missing/ambiguous"]
[1880,"Mersalyl","492-18-2","Unusual elements"]
[1886,"Acridine, 3,6-bis(dimethylamino)-","494-38-2","Missing/ambiguous"]
[1897,"2H-Pyran-2,6-dicarboxylic acid, 3,4-dihydro-3,4-","497-58-5","Missing/ambiguous"]
[1909,"DINICOTINIC ACID","499-81-0","Organic counterion, Missing/ambiguous"]
[1918,"Methylmercury Dicyandiamide","502-39-6","Unusual elements"]
[1920,"2-Heptenedioic acid, 4-oxo-","502-51-2","Missing/ambiguous"]
[1936,"(R)-nona-3,4-diene-6,8-diyn-1-ol","505-97-5","Manual Check failed"]
[1947,"2,4,6(1h,3h,5h)-pyrimidinetrione,5-ethyl-5-(1-p","509-87-5","Manual Check failed"]
[1976,"2,3-Pyridinedicarboxylic acid, 4-methyl-","517-40-8","Manual Check failed"]
[1996,"Allaric acid","527-00-4","Stereochemistry removed, Manual Check failed"]
[2009,"Cellobiose","528-50-7","Stereochemistry removed, Missing/ambiguous"]
[2023,"2-CHLOROACETANILIDE","533-17-5","Missing/ambiguous"]
[2029,"N,N-DIMETHYLTHIOUREA","534-13-4","Missing/ambiguous"]
[2067,"1,2-Ethylene Dibromide","540-49-8","Stereochemistry removed, Missing/ambiguous"]
[2075,"DODECAMETHYLCYCLOHEXASILOXANE","540-97-6","Unusual elements"]
[2076,"DECAMETHYLCYCLOPENTASILOXANE","541-02-6","Unusual elements"]
[2077,"Uranyl Acetate","541-09-3","Unusual elements"]
[2078,"DICHLORO(2-CHLOROVINYL)ARSINE (TRANS)","541-25-3","Stereochemistry removed, Unusual elements"]
[2081,"Barium Formate","541-43-5","Organic counterion, Unusual elements, Inorganic"]
[2086,"2-Butenoic acid, 4-[(1-carboxyethyl)amino]-4-oxo","541-89-9","Manual Check failed"]
[2087,"2-Pentanol, carbamate","541-95-7","Missing/ambiguous"]
[2093,"1,3-DICHLOROPROPENE (isomer mix)","542-75-6","Stereochemistry removed, Mixture"]
[2102,"Barium Acetate","543-80-6","Organic counterion, Unusual elements, Inorganic"]
[2103,"N-Methyl butylcarbamate","543-86-2","Manual Check failed"]
[2105,"Strontium Acetate","543-94-2","Unusual elements, Inorganic"]
[2113,"N1-(4-SO2NH2-PH)SULFANILAMIDE","547-52-4","Manual Check failed"]
[2118,"Cyclopenta[c]pyran-4-carboxylic acid, 1-( -D-glu","548-37-8","Stereochemistry removed, Manual Check failed"]
[2121,"Furfurin","550-23-2","Stereochemistry removed, Missing/ambiguous"]
[2160,"OCTAMETHYLTETRASILOXANE","556-67-2","Unusual elements"]
[2166,"Zinc Acetate","557-34-6","Organic counterion, Unusual elements, Inorganic"]
[2168,"Zinc Formate","557-41-5","Organic counterion, Unusual elements, Inorganic"]
[2186,"Benzeneacetic acid, .alpha.-amino-.alpha.-methyl","565-07-1","Missing/ambiguous"]
[2214,"1h-purine-2,6-dione,8-ethoxy-3,7-dihydro-1,3,7-","577-66-2","Manual Check failed"]
[2235,".alpha.-glucoforanose,1,2:5,6-bis-o-(1-methylet","582-52-5","Stereochemistry removed, Manual Check failed"]
[2246,"Butanedioic acid, bromo-, (.+-.)-","584-98-5","Missing/ambiguous"]
[2262,"2-Propanol, 1,3-dichloro-, carbamate","587-01-9","Missing/ambiguous"]
[2281,"Potassium Percarbonate","589-97-9","Missing/ambiguous"]
[2320,"Ethylarsine","593-59-9","Unusual elements, Missing/ambiguous"]
[2322,"Dimethyl selenide","593-79-3","Unusual elements"]
[2357,"4-SULFANILAMIDOPYRIMIDINE","599-82-6","Manual Check failed"]
[2358,"Benzenesulfonamide, 4-amino-N-(2-methyl-4-pyrimi","599-84-8","Missing/ambiguous"]
[2376,"HLORALANTIPYRINE","603-63-4","Missing/ambiguous"]
[2393,"Butanedioic acid, 2,3-dimethyl-, (R*,R*)-(.+-.)-","608-39-9","Manual Check failed"]
[2395,"Altraric acid, D-","608-60-6","Stereochemistry removed, Manual Check failed"]
[2397,"1,2,3,4,5,6-HEXACHLOROCYCLOHEXANE (mixture)","608-73-1","Mixture"]
[2414,"2,5-Pyrrolidinedione, 1-(4-ethoxyphenyl)-","611-41-6","Manual Check failed"]
[2426,"NICOTINIC ACID, ETHYL ESTER","614-18-6","Organic counterion, Missing/ambiguous"]
[2468,"Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2","619-02-3","Missing/ambiguous"]
[2547,"Pentanoic acid, 4-amino-, (.+-.)-","627-61-2","Missing/ambiguous"]
[2560,"ETHYLENE GLYCOL DINITRATE","628-96-6","Inorganic"]
[2576,"TETRAETHYLSILANE","631-36-7","Unusual elements"]
[2604,"TRIPHENYLTIN CHLORIDE","639-58-7","Unusual elements"]
[2608,"D-Inositol","643-12-9","Missing/ambiguous"]
[2627,"Dibutyl dichloro tin","683-18-1","Unusual elements"]
[2656,"Hydrazinecarboxamide, 2-[3-[5-nitro-2-furanyl)-2","721-71-1","Stereochemistry removed, Manual Check failed"]
[2658,"Benzenesulfonamide, 4-amino-N-(5-methyl-1,2,4-ox","723-47-7","Manual Check failed"]
[2667,"DIMETHYLTIN DICHLORIDE","753-73-1","Unusual elements"]
[2677,"2-METHYL-1-PENTENE","763-29-1","Missing/ambiguous"]
[2692,"1-Butanone, 1-(4-fluorophenyl)-4-[4-(4-fluorophe","803-45-2","Missing/ambiguous"]
[2704,"D-Glucaric acid, di-.gamma.-lactone","826-91-5","Missing/ambiguous"]
[2709,"1h-purine-2,6-dione,3,7-dihydro-1,3,7,8-tetrame","832-66-6","Manual Check failed"]
[2714,"2,4-bis((3-methoxypropyl)amino)-6-(methylthio)-s","845-52-3","Manual Check failed"]
[2735,"FENTIN ACETATE","900-95-8","Unusual elements"]
[2743,"Lactic acid, dimethylthiocarbamate, D-(-)-","923-18-2","Missing/ambiguous"]
[2746,"Carbonic acid, trithio, diester with 2-mercaptop","924-57-2","Missing/ambiguous"]
[2747,"Lactic acid, O-ester with S-ethyl dithiocarbonat","924-62-9","Missing/ambiguous"]
[2770,"phosphoramidicacid,(4-methyl-1,3-dithiolan-2-y","950-10-7","Manual Check failed"]
[2773,"porphazinamide","952-54-5","Manual Check failed"]
[2779,"sulfaethoxypyr","963-14-4","Manual Check failed"]
[2780,"9,10-Anthracenedicarboxylic acid, 9,10-dihydro-,","963-85-9","Missing/ambiguous"]
[2781,"9,10-Anthracenedicarboxylic acid, 9,10-dihydro-,","963-86-0","Missing/ambiguous"]
[2803,"phosphonicdiamide,p-(5-amino-3-phenyl-1h-1,2,4","1031-47-6","Manual Check failed"]
[2806,"1-butanone,1-(4-fluorophenyl)-4-[4-hydroxy-4-(4","1050-79-9","Manual Check failed"]
[2807,"DIMETHYLSILANEDIOL","1066-42-8","Unusual elements"]
[2808,"TRIETHYLCHLOROLEAD","1067-14-7","Unusual elements"]
[2809,"DI-n-BUTYL TIN DIACETATE","1067-33-0","Unusual elements, Missing/ambiguous"]
[2827,"Butanoic acid, 2-[(2-amino-1-oxobutyl)amino]-, [","1115-51-1","Missing/ambiguous"]
[2828,"Methyl-succinic acid diamide","1115-61-3","Manual Check failed"]
[2833,"1,3-Disiloxanediol, 1,1,3,3-tetramethyl-","1118-15-6","Unusual elements"]
[2852,"DIPHENYLTIN DICHLORIDE","1135-99-5","Unusual elements"]
[2881,"3h-pyrazol-3-one,4,4'-methylenebis[1,2-dihydro-","1251-85-0","Manual Check failed"]
[2883,"DICHLOROETHANES","1300-21-6","Missing/ambiguous"]
[2884,"XYLIDINE","1300-73-8","Organic counterion, Manual Check failed"]
[2885,"DIIODOSALICYLIC ACID","1321-04-6","Missing/ambiguous"]
[2887,"TRICHLORONAPHTHALENES","1321-65-9","Missing/ambiguous"]
[2888,"METHYL NAPHTHALENES (mixture of isomers)","1321-94-4","Mixture"]
[2889,"XYLENES (Isomer Mixture)","1330-20-7","Mixture"]
[2890,"TRICRESYL PHOSPHATE","1330-78-5","Manual Check failed"]
[2891,"METHYLCYCLOHEXANONE","1331-22-2","Missing/ambiguous"]
[2892,"TETRAMETHYL DECYNEDIOL","1333-17-1","Missing/ambiguous"]
[2895,"PCBS","1336-36-3","Stereochemistry removed, Organic counterion, Missing/ambiguous"]
[2897,"Nystatin","1400-61-9","Stereochemistry removed, Missing/ambiguous"]
[2903,"PHOSPHONIC ACID, METHYL-, DIISOPROPYL ESTER","1445-75-6","Organic counterion, Missing/ambiguous"]
[2908,"TRIBUTYLCHLOROSTANNANE","1461-22-9","Unusual elements"]
[2914,"piperidine,3-ethyl-,","1484-80-6","Stereochemistry removed, Manual Check failed"]
[2917,"2-(acetyloxy)-4-bromo-benzoicacid","1503-53-3","Manual Check failed"]
[2920,"TRIMETHYL LEAD CHLORIDE","1520-78-1","Unusual elements, Missing/ambiguous"]
[2923,"2-propenoicacid,2-methyl-,(1-methylethylidene","1565-94-2","Manual Check failed"]
[2940,"MERCURIC ACETATE","1600-27-7","Unusual elements, Inorganic"]
[2969,"4-Hydroxy-butyraldehyde-<2,4-dinitro-phenylhydra","1708-33-4","Missing/ambiguous"]
[2986,"Phenylphosphinic acid","1779-48-2","Missing/ambiguous"]
[2990,"DIBUTYL PHOSPHITE","1809-19-4","Missing/ambiguous"]
[2995,"2-[(6-chloro-3-pyridazinyl)thio]-n,n-diethylacet","1830-32-6","Manual Check failed"]
[3010,"phenoxyaceticacid,4-cyclohexyl","1878-56-4","Manual Check failed"]
[3017,"Quinazoline, 3,4-dihydro-","1904-64-9","Manual Check failed"]
[3036,"P-MEO-B-PHENYLPROPIONIC ACID","1929-29-9","Manual Check failed"]
[3058,"TRI-N-BUTYLTIN FLUORIDE","1983-10-4","Unusual elements"]
[3089,"DL-Allothreonine, O-methyl-","2076-53-1","Manual Check failed"]
[3090,"DL-Threonine, O-methyl-","2076-57-5","Manual Check failed"]
[3095,"Butanedioic acid, 3-ethyl-2,2-dimethyl-","2103-31-3","Manual Check failed"]
[3098,"2H-Naphtho[1,2-b]pyran-2-one, 4-methyl-","2107-75-7","Manual Check failed"]
[3112,"MSMA","2163-80-6","Unusual elements"]
[3115,"BCPC","2164-13-8","Organic counterion, Unusual elements"]
[3117,"Propanoic acid, 3,3'-selenobis-","2168-88-9","Unusual elements"]
[3123,"1h-pyrrole-2-carboxylicacid,3,5-dimethyl-,eth","2199-44-2","Manual Check failed"]
[3135,"2-Furanmethanol, tetrahydro-, benzoate","2217-32-5","Missing/ambiguous"]
[3152,"phosphoricacid,2-chloro-(2,4-dichlorophenyl)vin","2274-67-1","Stereochemistry removed, Manual Check failed"]
[3154,"VAMIDOTHION","2275-23-2","Missing/ambiguous"]
[3155,"Sulfanilamide, N1-(4-ethyl-2-pyrimidinyl)-","2276-96-2","Manual Check failed"]
[3156,"ETHYL MERCURY CYANIDE","2279-63-2","Unusual elements"]
[3165,"1h-purine-2,6,8(3h)-trione,7,9-dihydro-1,3,7,9-","2309-49-1","Manual Check failed"]
[3185,"L-TRYPTOPHAN, N-ACETYL, ETHYL ESTER","2382-80-1","Stereochemistry removed, Manual Check failed"]
[3190,"1,6-HEPTADIENE","2396-63-6","Missing/ambiguous"]
[3219,"Medinoterb acetate","2487-01-6","Missing/ambiguous"]
[3251,"CHIPCOTE","2597-97-9","Unusual elements"]
[3255,"Urea, (2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1","2620-71-5","Missing/ambiguous"]
[3258,"2,4(1H,3H)-Pteridinedione, 7-hydroxy-1,6-dimethy","2625-22-1","Missing/ambiguous"]
[3276,"phosphorodithioicacid,s-[2-(ethylsulfinyl)ethy","2703-37-9","Manual Check failed"]
[3282,"ETHYL MERCURY THIOCYANATE-S","2754-57-6","Missing/ambiguous"]
[3286,"5,5'-Barbituric acid, 5,5'-dihydroxy-1,1'-dimeth","2784-22-7","Missing/ambiguous"]
[3296,"2,6-anthracenedisulfonicacid,4,8-diamino-9,10-","2861-02-1","Manual Check failed"]
[3301,"Phosphonic acid, phenyl, di-2-propenyl ester","2948-89-2","Manual Check failed"]
[3333,"benzamide,n-(3,4-dichlorophenyl)-n-[(dimethylam","3134-12-1","Manual Check failed"]
[3335,"Glycine, N-(N-leucylglycyl)-","3146-41-6","Stereochemistry removed, Manual Check failed"]
[3337,"2-cltetramethylmelamine","3146-66-5","Manual Check failed"]
[3341,"Butanoic acid, 2-[(aminoiminomethyl)amino]-","3164-99-6","Missing/ambiguous"]
[3344,"Ethenesulfonamide, N-phenyl-","3192-10-7","Manual Check failed"]
[3346,"Propanoic acid, 2-hydroxy-2-methyl-, propyl este","3196-84-7","Manual Check failed"]
[3349,"Benzoic acid, 2,5-dihydroxy-4-methyl-","3209-15-2","Manual Check failed"]
[3352,"Benzenesulfonamide, 4-amino-N-(4-methoxy-2-pyrim","3213-22-7","Missing/ambiguous"]
[3356,"tetrapropylthiopyrophosphorate","3244-90-4","Manual Check failed"]
[3359,"Spiro[benzofuran-2(3H), 1'-[2]cyclohexene]-3,4'-","3260-51-3","Missing/ambiguous"]
[3360,"Spiro[benzofuran-2(3H), 1'-[3]cyclohexene]-2',3-","3260-52-4","Missing/ambiguous"]
[3362,"<1-Methyl-propylidene>-succinic acid","3283-26-9","Missing/ambiguous"]
[3376,"Tyrosine, 3,5-dichloro-","3387-87-9","Stereochemistry removed, Manual Check failed"]
[3378,"Propanamide, N,N'-1,2-ethanediylbis-","3403-77-8","Missing/ambiguous"]
[3383,"[1,2,5]Selenadiazolo[3,4-d]pyrimidine-5,7(4H,6H)","3434-54-6","Unusual elements"]
[3392,"butanedioicacid,mono[2-[(dichloroacetyl)amino]","3544-94-3","Stereochemistry removed, Manual Check failed"]
[3398,"sulfanilamide,n1-(5-isobutyl-1,3,4-thiadiazol-2","3571-94-6","Manual Check failed"]
[3429,"Bicyclo[2.2.1]heptan-2-one, 7-(hydroxymethyl)-1,","3751-95-9","Missing/ambiguous"]
[3434,"POTASSIUM CHLORATE","3811-04-9","Inorganic"]
[3444,"Hydantoin, 1-[[3-(5-nitro-2-furyl)allylidene]ami","3912-28-5","Missing/ambiguous"]
[3454,"Glycolic acid, methyl ester, nitrate","4059-62-5","Missing/ambiguous"]
[3467,"Glucopyranose, 2-(N4-acetylsulfanilamido)-2-deox","4181-03-7","Missing/ambiguous"]
[3481,"2H-1,3-Oxazin-2-one, tetrahydro-3-[(5-nitrofurfu","4341-15-5","Stereochemistry removed, Manual Check failed"]
[3500,"Cyclohexanepropanoic acid, .alpha.-amino-4-hydro","4441-51-4","Missing/ambiguous"]
[3503,"benzenesulfonamide,4-amino-n-(4,5-dimethyl-2-py","4462-43-5","Manual Check failed"]
[3504,"Acetamide, N-[4-[[(6-chloro-3-pyridazinyl)amino]","4489-33-2","Missing/ambiguous"]
[3507,"N-NITROSOMETHYLVINYLAMINE","4549-40-0","Missing/ambiguous"]
[3511,"2,4,6-Cycloheptatrien-1-one, 3,7-dibromo-2-hydro","4584-66-1","Missing/ambiguous"]
[3515,"Benzeneacetic acid, .alpha.-hydroxy-4-(1-methyle","4607-63-0","Missing/ambiguous"]
[3517,"2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydro","4636-40-2","Manual Check failed"]
[3518,"2,4,6-Cycloheptatrien-1-one, 3,7-dibromo-2-hydro","4636-41-3","Missing/ambiguous"]
[3526,"1,3-propanediamine, N-phenyl-","4724-01-0","Manual Check failed"]
[3530,"2,4,6-TRINITROPHENETOL","4732-14-3","Missing/ambiguous"]
[3531,"O-HYDROXY PHENYLACETAMIDE","4746-61-6","Manual Check failed"]
[3535,"Propanoic acid, 2,2'-dithiobis-","4775-93-3","Missing/ambiguous"]
[3544,"Coumarin, 4-(diethylcarbamoyl)-","4825-96-1","Manual Check failed"]
[3547,"KASUGAMYCIN","4849-32-5","Stereochemistry removed, Missing/ambiguous"]
[3548,"UREA PHOSPHATE (1:1)","4861-19-2","Organic counterion, Inorganic"]
[3569,"…-D-Galactopyranosiduronic acid, methyl","5155-53-3","Missing/ambiguous"]
[3570,"…-D-Galactopyranosiduronic acid, methyl, methyl","5155-54-4","Missing/ambiguous"]
[3576,"Benzeneacetic acid, -[(sulfooxy)methyl]-, 8-meth","5226-98-2","Manual Check failed"]
[3579,"2,6-dimethyl-5,6-dihydro-2H-pyran-3-carboxylic a","5270-62-2","Missing/ambiguous"]
[3584,"SULFAMIC ACID","5329-14-6","Inorganic"]
[3592,"Ribitol, 1,3:2,4-di-O-methylene-","5348-91-4","Missing/ambiguous"]
[3610,"carbamothioicacid,s-[2-oxo-2-(phenylamino)ethy","5428-95-5","Manual Check failed"]
[3611,"benzenesulfonamide,4-amino-n-(6-methyl-3-pyrida","5433-63-6","Manual Check failed"]
[3613,"Propanoic acid, 2-amino-3-(4-chlorobenzenesulfon","5445-04-5","Manual Check failed"]
[3615,"6h-purin-6-one,2-chloro-1,7-dihydro-7-methyl-,","5453-13-4","Manual Check failed"]
[3620,"N,N'bis-<2-cyano-ethyl>-alanine","5464-34-6","Manual Check failed"]
[3624,"Benzenesulfonamide, 4-amino-N-(4-propyl-2-pyrimi","5466-36-4","Manual Check failed"]
[3626,"Succinic acid, 2,3-dibromo-2-methyl-, erythro-(.","5469-23-8","Missing/ambiguous"]
[3631,"hydrazinecarboxamide,1-ethyl-2-[(5-nitro-2-fura","5579-89-5","Stereochemistry removed, Manual Check failed"]
[3638,"Purine-1(2H)-acetaldehyde, 3,6-dihydro-3,7-dimet","5614-52-8","Missing/ambiguous"]
[3639,"7H-Purine-7-acetaldehyde, 1,2,3,6-tetrahydro-1,3","5614-53-9","Manual Check failed"]
[3640,"1h-purine-1-aceticacid,2,3,6,7-tetrahydro-3,7-","5614-56-2","Manual Check failed"]
[3646,"Ethane, 1,1'-[oxybis(methyleneoxy)]bis-","5648-29-3","Manual Check failed"]
[3647,"Benzoic acid, 2-[(carboxycarbonyl)amino]-","5651-01-4","Manual Check failed"]
[3650,"glycine,n-2-furoyl-2-phenyl-","5657-20-5","Stereochemistry removed, Manual Check failed"]
[3652,"5-Thiazolecarboxylic acid, 2-[[(4-aminophenyl)su","5664-51-7","Manual Check failed"]
[3653,"Altraric acid","5666-23-9","Stereochemistry removed, Manual Check failed"]
[3657,"Hydrocinnamic acid, .alpha.-ethylidene-","5707-59-5","Manual Check failed"]
[3658,"Hexanedioic acid, 2,5-dihydroxy-2,5-dimethyl-","5739-18-4","Manual Check failed"]
[3661,"Cis-1,2-bis-(1-methyl-3-oxo-but-1-enylamino)-cyc","5769-37-9","Missing/ambiguous"]
[3665,"purine-1(2h)-propionicacid,3,6-dihydro-3,7-dim","5815-65-6","Manual Check failed"]
[3675,"DL-Alanine, N-formyl-","5893-10-7","Stereochemistry removed, Missing/ambiguous"]
[3684,"Benzenesulfonamide, 4-(D-glucopyranoxylamino)-","5962-25-4","Missing/ambiguous"]
[3686,"Propanoic acid, 2,2'-selenobis-","5962-45-8","Unusual elements"]
[3690,"MORPHINAN-3,6-DIOL, 7,8-DIDEHYDRO-4,5-EPOXY-17-M","6009-81-0","Manual Check failed"]
[3695,"1h-purine-2,6-dione,3,7-dihydro-3,7,8-trimethyl","6050-42-6","Manual Check failed"]
[3700,"Phthalic acid, bis(2,2,2-trinitroethyl) ester","6093-30-7","Manual Check failed"]
[3701,"2-Butanol, 1,1,1-trichloro-","6111-61-1","Manual Check failed"]
[3708,"BENZOIC ACID, 3,4-DIMETHOXY-, MONOHYDRATE","6159-60-0","Manual Check failed"]
[3711,"Benzoic acid, 2-hydroxy-, 2,3-dihydroxypropyl es","6170-45-2","Missing/ambiguous"]
[3713,"Ethanol, 2-phenoxy-, acetate","6192-44-5","Missing/ambiguous"]
[3717,"Acetic acid, 2,2'-selenobis-","6228-62-2","Unusual elements"]
[3719,"Salicylic acid, 5-(2H-benzotriazol-2-yl)-","6245-33-6","Manual Check failed"]
[3724,"DIETHYLAMINE, HYDROBROMIDE","6274-12-0","Organic counterion, Inorganic"]
[3728,"propanoicacid,2-hydroxy-,1-methyl-2-oxo-2-(2-","6283-80-3","Manual Check failed"]
[3745,"1,2-Benzenedicarboxamide, N,N,N',N'-tetramethyl-","6329-16-4","Missing/ambiguous"]
[3755,"2H-Pyran-3-carboxylic acid, 2-oxo-6-phenyl-, eth","6465-14-1","Missing/ambiguous"]
[3756,"Glycine, N-methyl-N-[[(phenylmethyl)thio]thioxom","6477-73-2","Missing/ambiguous"]
[3757,"Glycine, N-(dithiocarboxy)-N-phenyl-, S-benzyl e","6477-90-3","Missing/ambiguous"]
[3770,"butyricacid,2-formamido-3-methoxy-,dl-","6622-23-7","Manual Check failed"]
[3772,"sulfone,1-bromoethylethyl","6668-12-8","Stereochemistry removed, Manual Check failed"]
[3776,"Phthalic acid, 3-nitro-, 2-propyl ester","6744-86-1","Missing/ambiguous"]
[3778,"Phthalic acid, 3-nitro-, 2-isobutyl ester","6744-88-3","Missing/ambiguous"]
[3779,"Phthalic acid, 3-nitro-, isopentyl ester","6744-92-9","Manual Check failed"]
[3785,"Phthalic acid, 3-nitro-, 2 ethyl ester","6828-46-2","Missing/ambiguous"]
[3786,"Phthalic acid, 3-nitro-, 2-butyl ester","6828-47-3","Missing/ambiguous"]
[3795,"Benzenesulfonamide, 4-amino-N-(1,2,3,4-tetrahydr","6912-98-7","Missing/ambiguous"]
[3800,"NICOTINIC ACID, BUTYL ESTER","6938-06-3","Missing/ambiguous"]
[3811,"7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-","7029-96-1","Missing/ambiguous"]
[3818,"4-picoline,2-chloro-6-methoxy-alpha,alpha,alpha","7159-34-4","Manual Check failed"]
[3820,"Phosphoric acid, dibutyl ethyl ester","7242-58-2","Unusual elements, Inorganic, Missing/ambiguous"]
[3827,"Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid,","7288-32-6","Missing/ambiguous"]
[3831,"3,5-Dimethyl-4-thia-hepta-2,5-diendioic acid","7345-19-9","Manual Check failed"]
[3833,"Propanoic acid, 3,3'-diselenobis-","7370-58-3","Unusual elements"]
[3842,"SULFUR DIOXIDE","7446-09-5","Inorganic"]
[3849,"BENZ[a]ANTHRACENE, 9-FLUORO-7-METHYL-","7496-10-8","Missing/ambiguous"]
[3852,"1,2-Benzenedicarboxylic acid, 1,2-ethanediyl est","7517-39-7","Missing/ambiguous"]
[3855,"2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3,","7525-08-8","Manual Check failed"]
[3856,"IODINE","7553-56-2","Inorganic"]
[3858,"PHOSPHORIC ACID, MONOSODIUM SALT","7558-80-7","Inorganic"]
[3863,"HYDROGEN FLUORIDE","7664-39-3","Inorganic"]
[3864,"SULFURIC ACID","7664-93-9","Inorganic"]
[3865,"1,2-Benzisothiazol-3-amine, N-phenyl-, 1,1-dioxi","7668-23-7","Missing/ambiguous"]
[3867,"NICOTINIC ACID, PROPYL ESTER","7681-15-4","Organic counterion, Missing/ambiguous"]
[3869,"PIMARICIN (Natamycin)","7681-93-8","Stereochemistry removed, Manual Check failed"]
[3874,"HYDROGEN PEROXIDE","7722-84-1","Inorganic"]
[3875,"TETRASODIUM PYROPHOSPHATE","7722-88-5","Inorganic"]
[3876,"BROMINE","7726-95-6","Inorganic, Missing/ambiguous"]
[3877,"NITROGEN","7727-37-9","Inorganic"]
[3878,"POTASSIUM IODATE","7758-05-6","Inorganic"]
[3879,"COPPER SULFATE PENTAHYDRATE","7758-99-8","Organometallic, Inorganic"]
[3881,"ARSENIC ACID","7778-39-4","Unusual elements, Inorganic"]
[3882,"OXYGEN","7782-44-7","Inorganic"]
[3883,"CHLORINE","7782-50-5","Inorganic"]
[3884,"HYDROGEN SULFIDE","7783-06-4","Inorganic"]
[3887,"TERPINEOL","8000-41-7","Missing/ambiguous"]
[3891,"Ethylcellulose","9004-57-3","Missing/ambiguous"]
[3913,"s-Trithiane, 1,3-dioxide","10349-01-6","Missing/ambiguous"]
[3918,"Hexanedioic acid, 2,5-dihydroxy-2-methyl-5-(1-me","10408-17-0","Missing/ambiguous"]
[3928,"Sulfinylamide, N4-(6-deoxy-L-mannopyranosyl)-","10571-73-0","Missing/ambiguous"]
[3931,"PLINOL","11039-70-6","Missing/ambiguous"]
[3934,"AROCLOR 1221","11104-28-2","Missing/ambiguous"]
[3935,"AROCLOR 1232","11141-16-5","Missing/ambiguous"]
[3939,"Methylcyclopentadienyl Manganese","12108-13-3","Organometallic, Unusual elements, Missing/ambiguous"]
[3940,"DISPERSE BLUE 79","12239-34-8","Missing/ambiguous"]
[3944,"Propagermanium","12758-40-6","Unusual elements"]
[3947,"3-(1,3-Dimethylbutoxy)propane-1,2-diol","13021-58-4","Manual Check failed"]
[3948,"Carbamic acid, 1,6-hexanediylbis-, bis(2-hydroxy","13027-07-1","Missing/ambiguous"]
[3955,"Periplocin","13137-64-9","Stereochemistry removed, Manual Check failed"]
[3961,"2h-purin-2-one,1,3,6,7-tetrahydro-1,3,7-trimeth","13182-58-6","Manual Check failed"]
[3977,"L-Cysteine, N-acetyl-S-(3-chlorophenyl)-","13443-68-0","Stereochemistry removed, Manual Check failed"]
[3982,"2-Furanmethanol, formate","13493-97-5","Missing/ambiguous"]
[3986,"propanoicacid,2-hydroxy-,2-butoxy-1-methyl-2-","13544-80-4","Manual Check failed"]
[3992,"ISONICOTINIC ACID N-OXIDE","13602-12-5","Missing/ambiguous"]
[3994,"2-PROPANOL, 1-CHLORO-, PHOSPHATE (3:1)","13674-84-5","Inorganic"]
[4002,"…-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethyli","13964-22-2","Missing/ambiguous"]
[4007,"3-furancarboxylicacid,2-methyl-5-(1,2,3,4-tetr","14048-58-9","Stereochemistry removed, Manual Check failed"]
[4025,"Hexanamide, N-(aminocarbonyl)-2-bromo-","14299-56-0","Manual Check failed"]
[4030,"Oxalic acid-2-ethylester-1-chloride-1-oxime","14337-43-0","Stereochemistry removed, Manual Check failed"]
[4031,"Butanoic acid, 4,4'-diselenobis-","14362-48-2","Unusual elements"]
[4042,"Malonic acid, (o-carboxybenzyl)-, 1,3-diethyl es","14746-25-9","Missing/ambiguous"]
[4046,"1-Butanone, 4-(4-hydroxy-4-phenyl-1-piperidinyl)","14862-80-7","Missing/ambiguous"]
[4050,"1,6-DIOXASPIRO[4,4]NONANE, 2,2,7,7-TETRAMETHYL-","15031-07-9","Manual Check failed"]
[4067,"Propanamide, N-(chloroacetyl)-","15322-68-6","Manual Check failed"]
[4068,"1,3-Benzodioxole-5-methanol, 6-nitro-","15341-08-9","Missing/ambiguous"]
[4069,"D-glycero-D-ido-heptonic acid, .gamma.-lactone","15397-07-6","Missing/ambiguous"]
[4070,"3,5-pyridinedicarboxylicacid,2,6-dimethyl-,di","15420-54-9","Manual Check failed"]
[4071,"Methyl (4-chlorophenyl)sulfonyl acetate","15446-25-0","Missing/ambiguous"]
[4076,"CIS-PLATIN","15663-27-1","Unusual elements, Inorganic, Missing/ambiguous"]
[4083,"Galactaric acid, diethyl ester","15909-67-8","Stereochemistry removed, Manual Check failed"]
[4086,"2,5-Piperazinedione, 3,6-bis(hydroxymethyl)-, ci","15996-17-5","Missing/ambiguous"]
[4091,"Zinc Lactate","16039-53-5","Organic counterion, Manual Check failed"]
[4099,"3-Pyridinecarbonitrile, 1,2,5,6-tetrahydro-4,6,6","16268-25-0","Missing/ambiguous"]
[4111,"…-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethyli","16713-80-7","Stereochemistry removed, Manual Check failed"]
[4112,"6,7-Secomorphinan-6-oic acid, 8,14-didehydro-4,5","16718-61-9","Missing/ambiguous"]
[4117,"N1-(5-BR-2-PYRIDYL)SULFANILAMIDE","16805-99-5","Missing/ambiguous"]
[4118,"Sulfanilamide, N1-(4-amino-2-pyrimidinyl)-","16806-00-1","Manual Check failed"]
[4120,"2-Furanacetic acid, tetrahydro-2-methyl-5-oxo-,","16807-50-4","Manual Check failed"]
[4122,"Benzenesulfonamide, 4-amino-N-(5-amino-2-pyridin","16840-28-1","Missing/ambiguous"]
[4124,"Benzoic acid, 2-[acetyl(carboxymethyl)amino]-","16851-69-7","Missing/ambiguous"]
[4129,"2,4,6(1h,3h,5h)-pyrimidinetrione,5-(3-methylbut","17013-42-2","Manual Check failed"]
[4134,"Hydrazinecarbothioamide, 2-(4-nitrophenyl)-N-2-p","17073-27-7","Missing/ambiguous"]
[4135,"Benzenesulfonamide, 4-amino-N-(6-bromo-3-pyridin","17103-43-4","Missing/ambiguous"]
[4136,"Benzenesulfonamide, 4-amino-N-(6-amino-3-pyridin","17103-45-6","Missing/ambiguous"]
[4138,"Benzenesulfonamide, 4-amino-N-5-pyrimidinyl-","17103-48-9","Manual Check failed"]
[4139,"Benzenesulfonamide, 4-amino-N-(2-chloro-5-pyrimi","17103-49-0","Missing/ambiguous"]
[4141,"Benzenesulfonamide, 4-amino-N-(3-methyl-5-isoxaz","17103-52-5","Missing/ambiguous"]
[4142,"Benzenesulfonamide, 4-amino-N-(methylfurazanyl)-","17103-53-6","Manual Check failed"]
[4148,"1H-Imidazole-4-carboxylic acid, 2,3-dihydro-1,3-","17245-63-5","Missing/ambiguous"]
[4153,"Butanoic acid, 2-hydroxy-1,3-propanediyl ester","17364-00-0","Manual Check failed"]
[4155,"Acetone, 4-(p-nitrophenyl)semicarbazone","17433-87-3","Manual Check failed"]
[4163,"benzenesulfonamide,5-amino-2-[(4-aminophenyl)su","17615-73-5","Manual Check failed"]
[4166,"2,5-Thiophenedicarboxylic acid, tetrahydro, (2S-","17694-78-9","Missing/ambiguous"]
[4170,"Oxanilic acid, 2',4'-dichloro-","17772-30-4","Manual Check failed"]
[4173,"2H-Pyran-6-carboxylic acid, 3,4-dihydro-2,3,4-tr","17894-07-4","Missing/ambiguous"]
[4180,"Ethanamine, 2-(trimethylsilyl)-","18135-04-1","Unusual elements"]
[4183,"Methanamine, 1-(trimethylsilyl)-","18166-02-4","Unusual elements"]
[4186,"1-Propanamine, 3-(trimethylsilyl)-","18187-14-9","Unusual elements"]
[4196,"4,5-Isoxazoledione, 3-methyl-, 4-oxime","18438-56-7","Manual Check failed"]
[4209,"2,5-Selenophenedicarboxylic acid, tetrahydro-","18721-69-2","Unusual elements"]
[4210,"Glycine, N-(1-methyl-3-oxo-1-butenyl)-, ethyl es","18807-87-9","Missing/ambiguous"]
[4212,"Hydrazinecarbothioamide, 2-[3-[5-nitro-2-furanyl","18854-93-8","Missing/ambiguous"]
[4222,"Di-1-hexanesulfonamide","19288-69-8","Missing/ambiguous"]
[4223,"1-Octanesulfonamide, N-(octylsulfonyl)-","19288-70-1","Manual Check failed"]
[4225,"d-chiro-inositol,3-o-(2-amino-4-((carboxyiminom","19408-46-9","Stereochemistry removed, Manual Check failed"]
[4232,"carbamicacid,(3-dimethylaminopropyl)thio-,s-e","19622-19-6","Manual Check failed"]
[4241,"3-pyridinecarbonitrile,6-chloro-1,2-dihydro-4-h","19867-18-6","Manual Check failed"]
[4242,"Propanoic acid, 3-hydroxy-2-methyl-, 2,3,3a,4,5,","19889-01-1","Stereochemistry removed, Manual Check failed"]
[4254,"2-Butanol, 3,3-dimethyl-, (.+-.)-","20281-91-8","Manual Check failed"]
[4256,"phosphorodithioicacid,s-[2-(ethylsulfonyl)ethy","20301-63-7","Manual Check failed"]
[4260,"Hydracrylic acid, propyl ester, acetate","20473-73-8","Manual Check failed"]
[4261,"Hydracrylic acid, pentyl ester, acetate","20473-77-2","Manual Check failed"]
[4265,"Propanoic acid, 2,2'-dithiobis-, meso","20664-26-0","Missing/ambiguous"]
[4266,"Propanoic acid, 2,2'-[methylenebis(thio)]bis-, (","20664-28-2","Missing/ambiguous"]
[4267,"Butanoic acid, 2,2'-thiobis-, meso","20664-34-0","Missing/ambiguous"]
[4268,"Butyric acid, 3,3'-thiodi-, meso-","20664-36-2","Missing/ambiguous"]
[4269,"Butyric acid, 2,2'-thiobis[3-methyl-, meso-","20664-40-8","Missing/ambiguous"]
[4271,"2-<(Z)-2,4-dinitro-phenylhydrazono>-propionic ac","20724-92-9","Missing/ambiguous"]
[4272,"Propionamide, 2,2'-oxybis-, meso-","20753-85-9","Missing/ambiguous"]
[4274,"Arabinoic acid, 2,3:4,5-di-O-benzylidene-, D-","20769-96-4","Missing/ambiguous"]
[4277,"1,2-Hexanediol, 2-butyl-1phenyl-","20805-11-2","Manual Check failed"]
[4281,"1H-2-Benzopyran-3-carboxylic, 1-oxo-, methyl est","20836-12-8","Missing/ambiguous"]
[4284,"2(3H)-THIOPHENONE","20893-64-5","Manual Check failed"]
[4285,"Thiourea, N,N''-methylenebis-","20939-13-3","Manual Check failed"]
[4288,"1,3,4-Pentanetricarboxylic acid, [R-(R*,R*)]-","21142-58-5","Missing/ambiguous"]
[4299,"Acetamide, N-(1,3-dihydro-1-oxo-6-isobenzofurany","21626-90-4","Manual Check failed"]
[4305,"ISOPENTYL NITRATE","21981-48-6","Missing/ambiguous"]
[4310,"Butanedioic acid, [(ethoxythioxomethyl)thio]-","22119-15-9","Manual Check failed"]
[4311,"BIOPTERIN","22150-76-1","Missing/ambiguous"]
[4319,"Sulfanilamide, N1-(1,4-dihydro-1,4-dioxo-2-napht","22359-66-6","Missing/ambiguous"]
[4322,"Propanoic acid, 2,2'-selenobis-, (R*,S*)-","22659-18-3","Missing/ambiguous"]
[4323,"Butyric acid, 2,2'-selenodi-, meso-","22659-20-7","Missing/ambiguous"]
[4324,"Glycolic acid, propyl ester, nitrate","22665-54-9","Missing/ambiguous"]
[4325,"methanesulfonamide,n-phenyl-n-((1,1,2,2-tetrach","22729-75-5","Manual Check failed"]
[4326,"Benzenepropanoic acid, 2-nitro-.beta.-oxo-","22751-16-2","Manual Check failed"]
[4330,"1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(1-n","22915-90-8","Missing/ambiguous"]
[4338,"1h-purine-2,6-dione,3,7-dihydro-7-(3-hydroxypro","23146-04-5","Manual Check failed"]
[4347,"phosphonicacid,(1,6-hexanediylbis(nitrilobis(m","23605-74-5","Manual Check failed"]
[4351,"Benzenesulfonic acid, p-[(p-nitrophenyl)azo]-","23792-61-2","Manual Check failed"]
[4352,"5-pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-","23945-44-0","Manual Check failed"]
[4359,"acetamide-2-chloro-n-(2,6-dimethylphenyl)-n-((2-","24353-58-0","Manual Check failed"]
[4361,"Thiocyanic acid, 1,2,3-propanetriyl ester","24487-40-9","Manual Check failed"]
[4374,"VINYLTOLUENE","25013-15-4","Missing/ambiguous"]
[4378,"NONYLPHENOL (isomer mixture)","25154-52-3","Mixture"]
[4379,"DINITROBENZENES","25154-54-5","Missing/ambiguous"]
[4380,"P-I-PROPYLTOLUENE","25155-15-1","Manual Check failed"]
[4382,"CHLOROTOLUENE","25168-05-2","Inorganic, Missing/ambiguous"]
[4383,"2,4-D, ISOOCTYL ESTER","25168-26-7","Manual Check failed"]
[4384,"HEXENE - Mixture of isomers","25264-93-1","Stereochemistry removed, Mixture"]
[4385,"DIPROPYLENE GLYCOL","25265-71-8","Missing/ambiguous"]
[4389,"Benzenesulfonamide, 4-(mannopyranosylamino)-","25318-84-7","Stereochemistry removed, Manual Check failed"]
[4392,"DINITROTOLUENE","25321-14-6","Missing/ambiguous"]
[4393,"DICHLOROBENZENE","25321-22-6","Manual Check failed"]
[4394,"TETRACHLOROETHANES","25322-20-7","Missing/ambiguous"]
[4400,"HYDROXYCINNAMIC ACID","25429-38-3","Stereochemistry removed, Missing/ambiguous"]
[4403,"METHYL ETHYL BENZENE","25550-14-5","Manual Check failed"]
[4404,"DINITROPHENOL","25550-58-7","Missing/ambiguous"]
[4407,"ISOPROPYLBIPHENYL","25640-78-2","Missing/ambiguous"]
[4408,"Carbonic acid, dithio-, O-benzyl ester, S-ester","25646-09-7","Missing/ambiguous"]
[4409,"TRICHLOROPROPANE","25735-29-9","Missing/ambiguous"]
[4416,"DIBROMOBENZENE","26249-12-7","Missing/ambiguous"]
[4420,"CRESYL DIPHENYL PHOSPHATE","26444-49-5","Manual Check failed"]
[4421,"PHOSPHORIC ACID, BIS(METHYLPHENYL) PHENYL ESTER","26446-73-1","Missing/ambiguous"]
[4429,"DIPHENYLUREA","26763-63-3","Missing/ambiguous"]
[4430,"Propanedioic acid, aminomethyl-","26767-88-4","Manual Check failed"]
[4433,"TETRACHLOROBIPHENYL","26914-33-0","Manual Check failed"]
[4439,"DIPROPYLENE GLYCOL, DIBENZOATE","27138-31-4","Missing/ambiguous"]
[4441,"HEXACHLOROCYCLOHEXANE","27154-44-5","Missing/ambiguous"]
[4443,"TETRADECANOL","27196-00-5","Missing/ambiguous"]
[4445,"Glycerol-.alpha.-nitrate","27321-61-5","Manual Check failed"]
[4455,"3-Pyrazoline-5-thione, 1,3-dimethyl-2-phenyl-","28022-64-2","Manual Check failed"]
[4456,"ISOPROPYL PHENYL DIPHENYL PHOSPHATE","28108-99-8","Manual Check failed"]
[4466,"DIISONONYL PHTHALATE","28553-12-0","Manual Check failed"]
[4468,"Cyclobutanecarboxylic acid, 3-[1-[(aminocarbonyl","28587-42-0","Missing/ambiguous"]
[4470,"1,2,3-Benzenetricarboxylic acid, 5-chloro-","29016-74-8","Manual Check failed"]
[4471,"OCTANOL (isomer mix)","29063-28-3","Mixture"]
[4474,"BENZOXIMATE","29104-30-1","Missing/ambiguous"]
[4480,"HEXADECANOL","29354-98-1","Missing/ambiguous"]
[4482,"2,3-DICHLORODIBENZO-P-DIOXIN","29446-15-9","Missing/ambiguous"]
[4483,"L-Alanine, 3-(phenyldithio)-","29475-97-6","Stereochemistry removed, Manual Check failed"]
[4484,"2-Naphthalenesulfonic acid, 1-[(2-hydroxy-1-naph","29482-83-5","Missing/ambiguous"]
[4488,"Isovaline, N-formyl-, DL-","29588-10-1","Manual Check failed"]
[4492,"ISODECYL DIPHENYL PHOSPHATE","29761-21-5","Manual Check failed"]
[4495,"1,3,5-Triazine-2,4-diamine, N,N-diethyl-","29919-17-3","Manual Check failed"]
[4500,"D-Mannitol, 1,2,3,5,6-pentanitrate","30236-28-3","Missing/ambiguous"]
[4511,"ZOLONE","30725-71-4","Missing/ambiguous"]
[4517,"Butanedioic acid, 2-hydroxy-2-phenyl-","30952-65-9","Manual Check failed"]
[4522,"1-Butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-pi","31293-71-7","Missing/ambiguous"]
[4529,"HEPTACHLORONAPHTHALENE","32241-08-0","Missing/ambiguous"]
[4533,"4-quinolinecarboxylicacid,1,2-dihydro-6-methox","32431-29-1","Manual Check failed"]
[4534,"D-Glucuronic acid, .gamma.-lactone","32449-92-6","Stereochemistry removed, Missing/ambiguous"]
[4544,"BENZOIC ACID, 2-(ACETYLOXY)-, (ACETYLOXY)METHYL","32620-68-1","Missing/ambiguous"]
[4545,"BENZOIC ACID, 2-(ACETYLOXY)-, (2,5-DIOXO-1-PYRRO","32620-72-7","Missing/ambiguous"]
[4548,"…-D-Glucofuranose, 1,2-O-(1-methylethylidene)-,","32754-29-3","Missing/ambiguous"]
[4566,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpro","33492-49-8","Missing/ambiguous"]
[4581,"Xylose, methyl hemiacetal, pentaacetate, (1R)-D-","34168-73-5","Missing/ambiguous"]
[4585,"CUMYLPHENYL DIPHENYL PHOSPHATE","34364-42-6","Missing/ambiguous"]
[4586,"N1-(6-CL-3-PYRIDYL)SULFANILAMIDE","34392-82-0","Missing/ambiguous"]
[4588,"HEXACHLORODIBENZO-P-DIOXIN","34465-46-8","Manual Check failed"]
[4589,"n-BUTYL MERCURY CYANIDE","34472-57-6","Unusual elements"]
[4590,"GLYPHOSATE-SODIUM","34494-03-6","Missing/ambiguous"]
[4596,"HEPTENOPHOS","34783-40-9","Missing/ambiguous"]
[4597,"Heptanedioic acid, 2,6-diethyl-","34833-00-6","Manual Check failed"]
[4598,"Butanedioic acid, 2-methyl-3-(1-methylethyl)-","34861-84-2","Manual Check failed"]
[4599,"3,4-Heptanediol, 3-ethyl-6-methyl-","34866-32-5","Manual Check failed"]
[4622,"Benzenepropanoic acid, .alpha.-ethyl-.beta.-hydr","35781-54-5","Missing/ambiguous"]
[4628,"HEXABROMOBIPHENYL","36355-01-8","Inorganic, Missing/ambiguous"]
[4629,"Benzene, 1,1'-oxybis-, hexabromo deriv.","36483-60-0","Manual Check failed"]
[4656,"Etacelasil","37894-46-5","Unusual elements"]
[4658,"2-Furancarboxylic acid, 5-bromo-, [3-(5-nitro-2-","37962-15-5","Missing/ambiguous"]
[4659,"5-pyrimidinecarboxylicaicd,1,2,3,4-tetrahydro-","38026-46-9","Manual Check failed"]
[4660,"D-Cysteine, L-leucyl-, (2.fwdarw.2')-disulfide","38062-65-6","Missing/ambiguous"]
[4691,"DIISOPROPYLNAPHTHALENE","38640-62-9","Manual Check failed"]
[4695,"Benzoic acid, 4-(2,4-diaminophenylazo)-, ethyl e","38753-34-3","Missing/ambiguous"]
[4697,"Propanoic acid, 2-hydroxy-2-methyl-, pentyl este","38771-96-9","Missing/ambiguous"]
[4701,"3,4,5-Trihydroxy-valeric acid-<N-'-phenyl-hydraz","38996-13-3","Missing/ambiguous"]
[4704,"Fosetyl-aluminium","39148-24-8","Organometallic, Organic counterion, Missing/ambiguous"]
[4711,"DINOCAP","39300-45-3","Stereochemistry removed, Manual Check failed"]
[4716,"2-Butenedioic acid, 2-methyl-, 1-methyl ester, (","39529-95-8","Missing/ambiguous"]
[4720,"Acetamide, 2-(acetylamino)-N-phenyl-","39764-27-7","Manual Check failed"]
[4723,"azinphos-ethyl,o-analog","39923-25-6","Manual Check failed"]
[4724,"DL-Alanine, N-(2-furanylcarbonyl)-, ethyl ester","39978-21-7","Manual Check failed"]
[4734,"1,3-Benzenedicarboxylic acid, 2-hydroxy-5-methyl","40617-52-5","Missing/ambiguous"]
[4736,"Azocyclotin","41083-11-8","Unusual elements"]
[4748,"1,1'-Biphenyl, 2,2',3,6'-tetrachloro-","41464-47-5","Missing/ambiguous"]
[4755,"TETRACHLORODIBENZO-P-DIOXINS","41903-57-5","Missing/ambiguous"]
[4766,"Propanediamide, 2,2-dihydroxy-N,N'-bis(4-methylp","42793-96-4","Missing/ambiguous"]
[4780,"ACETIC ACID, [(4-BROMOPHENYL)SULFONYL]-, METHYL","50397-65-4","Missing/ambiguous"]
[4782,"2H-Imidazole-2-thione, 1,3-dihydro-4-(1,2,3,4-te","50453-17-3","Missing/ambiguous"]
[4791,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-ETHOXY-2-OXOETHY","50785-24-5","Missing/ambiguous"]
[4797,"N-<2-cyano-ethyl>-alanine","51078-47-8","Manual Check failed"]
[4808,"1H-Imidazole-4,5-dicarboxylic acid, 2-(1-methyle","51294-23-6","Missing/ambiguous"]
[4820,"Bicyclo[2.2.1]heptan-2-ol, 3-amino-1,7,7-trimeth","51773-76-3","Missing/ambiguous"]
[4824,"Urea, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl","51944-15-1","Missing/ambiguous"]
[4825,"Urea, N-butyl-N'-(2,3-dihydro-1,5-dimethyl-3-oxo","51944-17-3","Missing/ambiguous"]
[4828,"3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-1,2-diphe","52128-85-5","Missing/ambiguous"]
[4832,"2,5-Pyrrolidinedicarboxylic acid, 1-methyl-, cis","52321-05-8","Missing/ambiguous"]
[4841,"2,2',3,4,5-PENTACHLOROBIPHENYL","52663-62-4","Missing/ambiguous"]
[4866,"hydrazinecarboxamide,1-(2-hydroxyhexyl)-2-[(5-n","52926-52-0","Stereochemistry removed, Manual Check failed"]
[4867,"TETRANITROANILINE","53014-37-2","Missing/ambiguous"]
[4870,"AROCLOR 1242","53469-21-9","Manual Check failed"]
[4879,"Butane, 1,1',1''-[methylidynetris(sulfonyl)]tris","53893-44-0","Manual Check failed"]
[4882,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl-5-(2-","53943-61-6","Missing/ambiguous"]
[4883,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-(2-m","53943-64-9","Missing/ambiguous"]
[4888,"6-Oxabicyclo[3.2.1]oct-2-ene-8-carboxylic acid,","54345-92-5","Missing/ambiguous"]
[4891,"4-methyl-trans-crotonic acid nitrile","54496-86-5","Missing/ambiguous"]
[4915,"L-Mannitol, 6-deoxy-1,3:2,5-di-O-methylene-","55645-89-1","Missing/ambiguous"]
[4936,"1(2h)-pyrimidinecarboxamide,5-fluoro-3,4-dihydr","56563-18-9","Manual Check failed"]
[4937,"T-BUTYLPHENYL DIPHENYL PHOSPHATE","56803-37-3","Missing/ambiguous"]
[4956,"Butanedioic acid, (1-phenylethylidene)-, (E)","58266-38-9","Missing/ambiguous"]
[4957,"Butanedioic acid, (1-phenylethylidene)-, (Z)","58266-39-0","Missing/ambiguous"]
[4964,"Benzenesulfonamide, 4-amino-N-(1-methyl-2(1H)-py","58944-05-1","Missing/ambiguous"]
[4965,"Benzenesulfonamide, 4-amino-N-(3-methyl-2(3H)-th","58944-06-2","Manual Check failed"]
[4987,"1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-","60207-93-4","Manual Check failed"]
[4990,"Phosphorothioic acid, O-(dichloro(methylthio)phe","60238-56-4","Manual Check failed"]
[4991,"o-Diselenane-3,6-dicarboxylic acid, trans-(+)-","60295-67-2","Stereochemistry removed, Unusual elements"]
[4996,"Butanoic acid, 4-amino-2,3-dihydroxy-4-oxo-, [R-","60574-00-7","Missing/ambiguous"]
[4998,"Ethanol, 2-(2-butoxyethoxy)-, carbamate","60653-87-4","Missing/ambiguous"]
[5021,"Benz[a]anthracene, 8,9,10,11-tetrahydro-7-methyl","63020-38-2","Manual Check failed"]
[5023,"5-pyrimidinemethanol,.alpha.-(2-chlorophenyl)-.","63284-71-9","Manual Check failed"]
[5034,"1(2h)-pyrimidinecarboxamide,n-butyl-5-fluoro-3,","64098-82-4","Manual Check failed"]
[5040,"3,5-Piperidinedicarbonitrile, 4-butyl-4-methyl-2","64635-92-3","Manual Check failed"]
[5046,"7H-Purine-7-carboxylic acid, 1,2,3,6-tetrahydro-","65029-15-4","Manual Check failed"]
[5048,"Spiro[benzofuran-2(3H), 1'-[2]cyclohexene]-3,4'-","65267-24-5","Missing/ambiguous"]
[5049,"Spiro[benzofuran-2(3H), 1'-[3]cyclohexene]-2',3-","65267-25-6","Missing/ambiguous"]
[5050,"Spiro[benzofuran-2(3H), 1'-[2]cyclohexene]-3,4'-","65267-26-7","Missing/ambiguous"]
[5051,"Spiro[benzofuran-2(3H), 1'-[3]cyclohexene]-2',3-","65267-27-8","Missing/ambiguous"]
[5052,"2,4(1h,3h)-pyrimidinedione,5-aminodihydro-1,3-d","65413-42-5","Manual Check failed"]
[5064,"Benzoic acid, 4-(2,4-diaminophenylazo)-, methyl","66371-02-6","Missing/ambiguous"]
[5074,"2,4,6(1h,3h,5h)-pyrimidinetrione,5-methyl-5-(3-","67051-30-3","Manual Check failed"]
[5077,"Benzenepropanoic acid, .beta.-[(carboxymethyl)th","67242-91-5","Missing/ambiguous"]
[5078,"1,2-Benzisothiazole, 2,3-dihydro-2-methyl-, 1,1-","67299-16-5","Missing/ambiguous"]
[5081,"L-Alanine, N-[(2-methyl-5-nitrophenyl)sulfonyl]-","67320-40-5","Stereochemistry removed, Manual Check failed"]
[5112,"ALKYLBENZENE (C10-C15)","68648-87-3","Manual Check failed"]
[5116,"Benzoic acid anilide, 2-ethoxy-N-hydroxy","69079-96-5","Missing/ambiguous"]
[5128,"1,1'-Biphenyl, 2,3,3',4',5,5',6-heptachloro-","69782-91-8","Missing/ambiguous"]
[5132,"benzoicacid,2-[4,5-dihydro-4-methyl-4-(1-methy","69969-22-8","Manual Check failed"]
[5133,"benzoicacid,2-[4,5-dihydro-4-methyl-4-(1-methy","69969-62-6","Manual Check failed"]
[5136,"L-Cysteine, N-acetyl-S-(2-chlorophenyl)-","70278-03-4","Stereochemistry removed, Manual Check failed"]
[5138,"1,1'-BIPHENYL, 2,2',3,5-TETRACHLORO-","70362-46-8","Missing/ambiguous"]
[5140,"2,3',4',5-Tetrachlorobiphenyl","70362-48-0","Missing/ambiguous"]
[5141,"1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-3-methyl","70404-40-9","Missing/ambiguous"]
[5145,"Bitertanol stereoisomer A","70585-36-3","Isomeric mix, Missing/ambiguous"]
[5148,"Acetamide, N-[4-[[(4-methyl-2-thiazolyl)amino]su","71119-13-6","Missing/ambiguous"]
[5149,"Benzenesulfonamide, 4-amino-N-(2,3-dihydro-1,5-d","71119-16-9","Missing/ambiguous"]
[5150,"Benzenesulfonamide, 4-amino-N-(3-ethoxy-2-pyridi","71119-19-2","Missing/ambiguous"]
[5151,"Benzenesulfonamide, 4-amino-N-(5-iodo-2-pyridiny","71119-21-6","Missing/ambiguous"]
[5152,"Benzenesulfonamide, 4-amino-N-[4-(diethylamino)-","71119-24-9","Missing/ambiguous"]
[5154,"benzenesulfonamide,4-amino-n-(5-propyl-1,3,4-th","71119-32-9","Manual Check failed"]
[5155,"Benzenesulfonamide, 4-amino-N-(5,6,7,8-tetrahydr","71119-34-1","Missing/ambiguous"]
[5156,"Benzenesulfonamide, 4-amino-N-[5,6,7,8-tetrahydr","71119-36-3","Missing/ambiguous"]
[5157,"Benzenesulfonamide, 4-amino-N-(2-amino-5-pyrimid","71119-38-5","Missing/ambiguous"]
[5158,"Benzenesulfonamide, N,N'-2,5-pyrimidinediylbis[4","71119-39-6","Missing/ambiguous"]
[5160,"Butanamide, 2-chloro-2-ethyl-","71203-44-6","Manual Check failed"]
[5165,"cyclopropanecarboxylicacid,3-(2,2-dichloroethe","71697-59-1","Stereochemistry removed, Manual Check failed"]
[5166,"Benzenesulfonamide, 4-amino-N-(6-ethoxy-3-pyridi","71720-65-5","Missing/ambiguous"]
[5167,"Benzenesulfonamide, 4-amino-N-(5,6,7,8-tetrahydr","71720-66-6","Missing/ambiguous"]
[5176,"azodyen5","72828-64-9","Manual Check failed"]
[5178,"2-PROPENOIC ACID, 2-METHYL-, 7,7,9(OR 7,9,9)-TRI","72869-86-4","Manual Check failed"]
[5189,"Propanedioic acid, [(methylamino)methyl]-2-prope","74059-43-1","Missing/ambiguous"]
[5211,"Butanedioic acid, propyl-, (.+-.)-","74708-88-6","Missing/ambiguous"]
[5214,"4-Octanol, (.+-.)-","74778-22-6","Missing/ambiguous"]
[5215,"OXABETRINIL","74782-23-3","Stereochemistry removed, Missing/ambiguous"]
[5216,"diclobutrazolisomers","75736-33-3","Stereochemistry removed, Manual Check failed"]
[5218,"phosphonicacid,[[4-(2-benzothiazolyl)phenyl]me","75889-62-2","Manual Check failed"]
[5234,"2-Butenedioic acid, 2-methyl-, 4-methyl ester, (","77044-59-8","Missing/ambiguous"]
[5236,"2,4-Hexadienedioic acid, 3-methyl-, 6-methyl est","77186-02-8","Missing/ambiguous"]
[5246,"Hydrazinecarboxamide, 2-(1-methylethylidene)-N-p","78002-37-6","Missing/ambiguous"]
[5264,"Imazamethabenz (isomer mix)","81405-85-8","Mixture"]
[5272,"Benzoic acid amide, 3-(3-aminobenzoylamino)-","81882-67-9","Manual Check failed"]
[5284,"4-Thiazolesulfonic acid","82971-12-8","Manual Check failed"]
[5290,"1,3,4-Pentanetricarboxylic acid, [R-(R*,S*)]-","83572-31-0","Missing/ambiguous"]
[5305,"Flusilazole","85509-19-9","Unusual elements"]
[5306,"2-Imidazolidinone, 4-hydroperoxy-5-hydroxy-4-met","85576-52-9","Missing/ambiguous"]
[5308,"Tridecanoic acid, 2,4-dioxo-","85763-15-1","Manual Check failed"]
[5315,"2,4-Imidazolidinedione, 5-butyl-, (¤)-","87052-64-0","Missing/ambiguous"]
[5323,"9H-PURIN-6-AMINE, 9-[2-O-ACETYL-3,5-BIS-O-[(1,1-","87970-03-4","Missing/ambiguous"]
[5324,"9-(2-O-Butyryl-beta-D- arabinofuranosyl)adenine","87970-05-6","Stereochemistry removed, Manual Check failed"]
[5325,"9H-PURIN-6-AMINE, 9-[3,5-BIS-O-[(1,1-DIMETHYLETH","87984-85-8","Missing/ambiguous"]
[5327,"Methylene, (methyleneamino)-","88333-02-2","Missing/ambiguous"]
[5333,"PROPANOL 1 (OR 2)-2-METHOXYMETHYL ETHOXY, ACETAT","88917-22-0","Manual Check failed"]
[5337,"Lg-Tartaric acid monomethyl ester","89395-25-5","Missing/ambiguous"]
[5340,"(+)(R)-6-hydroxy-4-methyl-caproaldehyde","89794-65-0","Stereochemistry removed, Manual Check failed"]
[5342,"Carbamic acid, sulfamoyl-, 2-ethylbutyl ester","89851-12-7","Manual Check failed"]
[5357,"Isoleucine, N-(2-cyanoethyl)-","90770-17-5","Stereochemistry removed, Manual Check failed"]
[5358,"Carbamic acid, sulfamoyl-, 2-ethylhexyl ester","90796-83-1","Manual Check failed"]
[5359,"2,4,6-Cycloheptatrien-1-one, 5-bromo-2-hydroxy-4","90841-50-2","Missing/ambiguous"]
[5362,"Hydrocinnamic acid, .beta.-methoxy-","91061-49-3","Manual Check failed"]
[5364,"Succinanilic acid, 3-methyl-","91133-69-6","Manual Check failed"]
[5365,"2-Furancarboxylic acid, 5-nitro-, [3-(5-nitro-2-","91330-81-3","Missing/ambiguous"]
[5366,"Lactic acid, dimethylthiocarbamate","91499-08-0","Manual Check failed"]
[5372,"Guanidine, N-butyl-N'-sulfanilyl-","92059-15-9","Manual Check failed"]
[5373,"2-Furanacrolein, 5-nitro-, 4-phenylsemicarbazone","92150-32-8","Missing/ambiguous"]
[5375,"2,5-Furandipropionic acid, tetrahydro-, diethyl","92371-84-1","Missing/ambiguous"]
[5376,"Propionic acid, 3,3-dimethyl-2,3'-iminodi-","92402-78-3","Manual Check failed"]
[5377,"pyrimido[5,4-d]pyrimidine-2,4,8(3h)-trione,1,7-","92474-94-7","Manual Check failed"]
[5378,"Benzoic acid, m-nitro-, (5-nitrofurfurylidene)hy","92695-66-4","Missing/ambiguous"]
[5380,"2,5-Pyrrolidinediacetic acid, 1-methyl-, dimethy","92776-66-4","Missing/ambiguous"]
[5381,"Pyrimido[5,4-d]pyrimidine-2,4,6,8(3H,7H)-tetrone","92876-74-9","Manual Check failed"]
[5384,"Pyrimido[5,4-d]pyrimidine-2,4,6,8(3H,7H)-tetrone","93506-59-3","Manual Check failed"]
[5389,"2,4(1H,3H)-Pteridinedione, 6-acetyl-1,3,7-trimet","94591-19-2","Missing/ambiguous"]
[5392,"3-Azabicyclo[3.2.1]octane-2,4-dione, 3-hydroxy-1","94626-92-3","Missing/ambiguous"]
[5396,"Butyrophenone, 4-[4-(p-fluorophenyl)-4-hydroxypi","95948-65-5","Missing/ambiguous"]
[5398,"2-Isoindolineacetic acid, .alpha.-ethyl-.alpha.-","96435-08-4","Missing/ambiguous"]
[5399,"ALLOPURINOL, 1-ACETYL-","96448-60-1","Missing/ambiguous"]
[5400,"ALLOPURINOL, 1-(OXOPROPYL)-","96448-61-2","Missing/ambiguous"]
[5401,"ALLOPURINOL, 1-BENZOYL-","96448-63-4","Missing/ambiguous"]
[5402,"ALLOPURINOL, 1-(1-OXOBUTYL)-","96474-05-4","Missing/ambiguous"]
[5414,"ETHYL (ETHYLTHIO) MERCURY","98025-96-8","Unusual elements"]
[5420,"Pyrazinamide, N-2-pyrimidinyl-","98590-07-9","Manual Check failed"]
[5422,"Spiro[benzofuran-2(3H), 1'-[2]cyclohexene]-3,4'-","98801-82-2","Missing/ambiguous"]
[5423,"ALLOPURINOL,1,5-BIS(PIVALOYLOXYMETHYL)-","98827-16-8","Missing/ambiguous"]
[5424,"ALLOPURINOL,2,5-BIS(PIVALOYLOXYMETHYL)-","98827-17-9","Missing/ambiguous"]
[5426,"ALLOPURINOL, 1,5-BIS(BUTYRYLOXYMETHYL)-","98827-19-1","Missing/ambiguous"]
[5427,"ALLOPURINOL, 2,5-BIS(BUTYRYLOXYMETHYL)-","98827-20-4","Missing/ambiguous"]
[5435,"Pyrazinamide, N-(4-methyl-2-pyrimidinyl)-","99057-45-1","Manual Check failed"]
[5445,"2(1H)-Naphthalenone, octahydro-5,8-dihydroxy-1-m","100053-24-5","Missing/ambiguous"]
[5447,"Isonicotinic acid, (3-carboxy-1-methylpropyliden","100128-07-2","Missing/ambiguous"]
[5453,"1,2-Cyclohexanedione, 4-(1,1,3,3-tetramethylbuty","100879-19-4","Missing/ambiguous"]
[5455,"1,1-Bis-ethanesulfonylpropane","100911-61-3","Manual Check failed"]
[5457,"Benzamide, O-(L-arabinopyranosyloxy)-N,N-dimethy","101116-23-8","Missing/ambiguous"]
[5461,"1-Piperazinecarboxylic acid, 4,4'-ethylenedi-, d","101433-80-1","Missing/ambiguous"]
[5462,"Carbamic acid, hexamethylenedi-, bis(4-hydroxybu","101443-32-7","Missing/ambiguous"]
[5464,"[4-(2-ethoxyethylamino)phenyl]-(4-aminophenyl)-s","101586-90-7","Missing/ambiguous"]
[5466,"7H-Purine-7-carboxylic acid, 1,2,3,6-tetrahydro-","101774-91-8","Manual Check failed"]
[5470,"Spiro[benzofuran-2(3H), 1'-[3]cyclohexene]-3,4'-","101919-82-8","Missing/ambiguous"]
[5482,"BUTANOIC ACID, [2-(AMINOCARBONYL)PHENOXY]METHYL","103951-39-9","Missing/ambiguous"]
[5483,"O-(Pivaloyloxymethyl)salicylamide","103951-40-2","Missing/ambiguous"]
[5488,"2-THIOPHENESULFONAMIDE, 5-[(3-HYDROXYPROPYL)THIO","104437-99-2","Missing/ambiguous"]
[5489,"ACETIC ACID, 3-[[5-(AMINOSULFONYL)-2-THIENYL]SUL","104438-04-2","Missing/ambiguous"]
[5491,"Silafluofen","105024-66-6","Unusual elements"]
[5496,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","105951-32-4","Missing/ambiguous"]
[5497,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","105951-36-8","Missing/ambiguous"]
[5498,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","105951-71-1","Missing/ambiguous"]
[5500,"Benzenesulfonamide, o-(3,4-dihydro-4-oxo-2-quina","106038-70-4","Missing/ambiguous"]
[5501,"Purine-7-acetamide, N,N-diethyl-1,2,3,6-tetrahyd","106164-79-8","Missing/ambiguous"]
[5508,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(1-METHYLETHYL)","106231-56-5","Missing/ambiguous"]
[5511,"ACETAMIDE, 2-(BENZOYLOXY)-N-(2-HYDROXYETHYL)-N-M","106231-59-8","Missing/ambiguous"]
[5512,"ACETAMIDE, 2-(BENZOYLOXY)-N-ETHYL-N-(2-HYDROXYET","106231-60-1","Missing/ambiguous"]
[5513,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-HYDROXYETHYL","106231-61-2","Missing/ambiguous"]
[5514,"ACETAMIDE, N-(2-AMINO-2-OXOETHYL)-2-(BENZOYLOXY)","106231-62-3","Missing/ambiguous"]
[5515,"GLYCINE, N-[(BENZOYLOXY)ACETYL]-N-METHYL-, ETHYL","106231-63-4","Missing/ambiguous"]
[5519,"L-PROLINAMIDE,N2-[(BENZOYLOXY)ACETYL]-","106231-69-0","Missing/ambiguous"]
[5520,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","106319-38-4","Missing/ambiguous"]
[5521,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","106319-42-0","Missing/ambiguous"]
[5522,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","106319-44-2","Missing/ambiguous"]
[5523,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","106319-45-3","Missing/ambiguous"]
[5524,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","106319-46-4","Missing/ambiguous"]
[5526,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","106335-79-9","Missing/ambiguous"]
[5527,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","106400-04-8","Missing/ambiguous"]
[5528,"Sulfanilamide, N1-(4-isobutyl-2-pyrimidinyl)-","106596-34-3","Manual Check failed"]
[5529,"Acetanilide, 4'-(3-pyridazinylsulfamoyl)-","106840-27-1","Manual Check failed"]
[5531,"Sulfanilamide, N1-(4-pentyl-2-pyrimidinyl)-","107203-72-5","Manual Check failed"]
[5533,"Glucopyranoside, propyl, tetranitrate,  -D-","108018-38-8","Missing/ambiguous"]
[5542,"BENZENESULFONAMIDE, 4-[(3-HYDROXYPROPYL)THIO]-3-","108966-59-2","Missing/ambiguous"]
[5543,"BENZOIC ACID, 5-(AMINOSULFONYL)-2-[(3-HYDROXYPRO","108966-66-1","Missing/ambiguous"]
[5544,"BENZOIC ACID, 5-(AMINOSULFONYL)-2-[(3-HYDROXYPRO","108966-67-2","Missing/ambiguous"]
[5550,"Benzenesulfonamide, 3-fluoro-4-[(4-hydroxybutyl)","108966-78-5","Manual Check failed"]
[5556,"Glucopyranoside, butyl, tetranitrate,  -D-","110056-75-2","Missing/ambiguous"]
[5563,"1-Heptanol, 2-methyl-, (.+-.)-","111675-77-5","Missing/ambiguous"]
[5564,"1-Heptanol, 4-methyl-, (+-)","111692-63-8","Missing/ambiguous"]
[5565,"1-Heptanol, 3-methyl-, (.+-.)-","111767-94-3","Missing/ambiguous"]
[5566,"1-Heptanol, 5-methyl-, (.+-.)-","111767-95-4","Missing/ambiguous"]
[5567,"1-Naphthalenesulfonic acid, 8-(2-hydroxy-1-napht","111797-49-0","Missing/ambiguous"]
[5573,"Cyclanilide","113136-77-9","Missing/ambiguous"]
[5575,"Lumazine, 6,7-diethyl-","113222-29-0","Missing/ambiguous"]
[5577,"Benzenesulfonamide, 3-amino-4-[(4-aminophenyl)su","113597-77-6","Missing/ambiguous"]
[5578,"Benzenesulfonamide, 4-[(4-aminophenyl)sulfonyl]-","113597-78-7","Manual Check failed"]
[5584,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-HYDROXYPROPY","115178-63-7","Missing/ambiguous"]
[5585,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-METHOXYETHYL","115178-64-8","Missing/ambiguous"]
[5589,"2-AZETIDINECARBOXYLIC ACID, 1-[(BENZOYLOXY)ACETY","115178-74-0","Missing/ambiguous"]
[5594,"PROPANAMIDE, 2-(BENZOYLOXY)-N,N-DIETHYL-, (ñ)-","115178-79-5","Missing/ambiguous"]
[5600,"ACETAMIDE, 2-(BENZOYLOXY)-N-[2-HYDROXY-1,1-BIS(H","115193-31-2","Missing/ambiguous"]
[5601,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-METHYLPROPYL","115193-33-4","Missing/ambiguous"]
[5604,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(DIETHYLAMINO)-2","116482-56-5","Missing/ambiguous"]
[5605,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(DIPROPYLAMINO)-","116482-75-8","Manual Check failed"]
[5606,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-[BIS(1-METHYLETH","116482-76-9","Missing/ambiguous"]
[5607,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-[(2-ETHOXY-2-OXO","116482-77-0","Missing/ambiguous"]
[5608,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(4-MORPHOLINYL)-","116482-80-5","Manual Check failed"]
[5612,"Malic acid, S-ethyl dithiocarbonate","116977-37-8","Missing/ambiguous"]
[5615,"Glucopyranoside, ethyl, tetranitrate,  -D-","117608-69-2","Missing/ambiguous"]
[5619,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(ETHYLAMINO)-2-O","118247-01-1","Missing/ambiguous"]
[5620,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-[(2-AMINO-2-OXOE","118247-02-2","Missing/ambiguous"]
[5621,"GLYCINE, N-[[[2-(ACETYLOXY)BENZOYL]OXY]ACETYL]-,","118247-03-3","Missing/ambiguous"]
[5622,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(DIMETHYLAMINO)-","118247-04-4","Manual Check failed"]
[5626,"D-Glucose, 1-(carbamoylimino)-1-deoxy-","118923-30-1","Missing/ambiguous"]
[5634,"2-THIOPHENESULFONAMIDE, 4-[(4-METHOXYPHENYL)SULF","119731-18-9","Missing/ambiguous"]
[5644,"2H-1,2,3-Triazole-4-carboxylic acid, 5-(2-carbox","122510-85-4","Missing/ambiguous"]
[5658,"Spiro[benzofuran-2(3H),1'-[2]cyclhexene-3,4'-dio","125644-63-5","Missing/ambiguous"]
[5661,"KTU 3616 (BR enantiomer)","127640-90-8","Missing/ambiguous"]
[5662,"2-THIOPHENESULFONAMIDE, 4-[(4-METHYLPHENYL)SULFO","128348-32-3","Missing/ambiguous"]
[5663,"2-FURANSULFONAMIDE, 4-[(4-METHYLPHENYL)SULFONYL]","128348-34-5","Missing/ambiguous"]
[5664,"2-FURANSULFONAMIDE, 4-[(4-METHOXYPHENYL)SULFONYL","128348-35-6","Missing/ambiguous"]
[5665,"2-THIOPHENESULFONAMIDE, 4-[(4-HYDROXYPHENYL)SULF","128348-42-5","Missing/ambiguous"]
[5666,"2-THIOPHENESULFONAMIDE, 4-[(3-HYDROXYPHENYL)SULF","128348-43-6","Missing/ambiguous"]
[5667,"2-FURANSULFONAMIDE, 4-[(4-HYDROXYPHENYL)SULFONYL","128348-44-7","Missing/ambiguous"]
[5669,"1,2-Benzenedicarboxylic acid, 3,4-dimethoxy-, 2-","128823-80-3","Missing/ambiguous"]
[5671,"N - (2 - CHLOROETHYL) - N - NITROSO - N' - [2 -","129085-57-0","Missing/ambiguous"]
[5672,"[[3-[[[(2-CHLOROETHYL) NITROSOAMINO] CARBONYL] A","129085-58-1","Missing/ambiguous"]
[5674,"PYRAFLUFEN-ETHYL","129630-17-7","Missing/ambiguous"]
[5682,"ssf-126","133408-50-1","Stereochemistry removed, Manual Check failed"]
[5686,"2-THIOPHENESULFONAMIDE, 5-[(4-HYDROXYBUTYL)THIO]","135832-38-1","Missing/ambiguous"]
[5687,"2-THIOPHENESULFONAMIDE, 5-[(4-HYDROXYBUTYL)SULFO","135832-39-2","Missing/ambiguous"]
[5688,"BENZENESULFONAMIDE, 4-[(4-HYDROXYBUTYL)THIO]-","135832-41-6","Manual Check failed"]
[5689,"BENZENESULFONAMIDE, 4-[(4-HYDROXYBUTYL)SULFONYL]","135832-42-7","Missing/ambiguous"]
[5690,"BENZENESULFONAMIDE, 3-AMINO-4-[(2-HYDROXYETHYL)S","135832-45-0","Missing/ambiguous"]
[5691,"BENZENESULFONAMIDE, 4-(3-HYDROXYPROPYL)-","135832-46-1","Manual Check failed"]
[5692,"ACETIC ACID, 3-[4-(AMINOSULFONYL)PHENYL]PROPYL E","135832-47-2","Missing/ambiguous"]
[5693,"BENZENESULFONAMIDE, 4-(4-HYDROXYBUTYL)-","135832-48-3","Manual Check failed"]
[5694,"BENZENESULFONAMIDE, 4-(5-HYDROXYPENTYL)-","135832-50-7","Manual Check failed"]
[5695,"ACETIC ACID, 5-[4-(AMINOSULFONYL)PHENYL]PENTYL E","135832-51-8","Missing/ambiguous"]
[5696,"TRIFLUSULFURON-METHYL","135990-29-3","Missing/ambiguous"]
[5706,"Isopropyl (4-chlorophenyl)sulfonyl acetate","136991-36-1","Missing/ambiguous"]
[5717,"isopropyl(1-(4-methyl)phenylsulfonyl)cycloprop","145348-21-6","Manual Check failed"]
[5718,"methyl(1-(4-chloro)phenylsulfonyl)cyclopropane","145348-22-7","Manual Check failed"]
[5719,"isopropyl(1-(4-chloro)phenylsulfonyl)cycloprop","145348-23-8","Manual Check failed"]
[5720,"tert-butyl(1-(4-chloro)phenylsulfonyl)cyclopro","145348-24-9","Manual Check failed"]
[5721,"methyl(1-(4-bromo)phenylsulfonyl)cyclopropane","145348-25-0","Manual Check failed"]
[5722,"methyl(1-(4-nitro)phenylsulfonyl)cyclopropane","145348-26-1","Manual Check failed"]
[5723,"isopropyl(1-(4-nitro)phenylsulfonyl)cyclopropa","145348-27-2","Manual Check failed"]
[5725,"cloransulam","147150-35-4","Manual Check failed"]
[5729,"Fluroxypyr-2-butoxy-1-methylethyl","154486-27-8","Missing/ambiguous"]
[5741,"isopropyl(1-(4-chloro)phenylsulfonyl)cyclopent","160790-10-3","Manual Check failed"]
[5742,"isopropyl(1-(4-methyl)phenylsulfonyl)cyclobuta","160790-13-6","Manual Check failed"]
[5752,"MB-599","185676-84-0","Manual Check failed"]
[5755,"3-PENTYL NITRATE","SRC002-52-9","Missing CAS, Manual Check failed"]
[5756,"5-Bromo-3-hydroxybenzaldehyde","SRC003-41-9","Missing CAS, Manual Check failed"]
[5757,"Isopropropyl,4-formylphenoxyl acetate","SRC003-42-0","Missing CAS, Missing/ambiguous"]
[5758,"1-(4-MePhSO2)-1-(iPrOCO)cyclopentane","SRC003-56-1","Missing CAS, Missing/ambiguous"]
[5759,"1-(4-MePhSO2)-1-(MeOCO)cyclohexane","SRC003-56-2","Missing CAS, Missing/ambiguous"]
[5760,"1,4-diAm-2,3-diPhO-9,10-anthracenedione","SRC003-67-2","Missing CAS, Missing/ambiguous"]
[5761,"1,4-diCL-2,3-diPhO-9,10-anthracenedione","SRC003-67-3","Missing CAS, Missing/ambiguous"]
[5762,"D5-azo Dye","SRC003-67-4","Missing CAS, Missing/ambiguous"]
[5763,"D6-Anthrquinone Dye","SRC003-67-5","Missing CAS, Manual Check failed"]
[5764,"Limonene oxide (cis + trans)","SRC003-73-3","Missing CAS, Missing/ambiguous"]

{"sheet":"Full_Output_Manual_Check","index":13,"n_rows":5762,"n_cols":19,"rows_kept":4500,"cut":true,"bounds":{"rows_first":2000,"rows_last":500,"rows_between":2000,"halvings":0}}
["Original ID","New ID","CHEMICAL","CAS_NO","smiles_CIR_Name - Neutralized","smiles_CIR_CAS - Neutralized","smiles_CompTox_Name - Neutralized","smiles_CompTox_CAS - Neutralized","Equal (Tautomers)","Different (Tautomers)","Missing (Tautomers)","Different SMILES more than equals?","Different SMILES from CAS?","Equal (Manual check)","Different (Manual Check)","Check","Notes","Warnings","Duplicates"]
[1,4342,"FORMALDEHYDE","50-00-0","C=O","C=O","C=O",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2,1805,"DEXAMETHASONE","50-02-2","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1766"]
[3,1837,"HYDROCORTISONE ACETATE","50-03-3","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4,1832,"CORTISONE ACETATE","50-04-4","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(=O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(=O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(=O)C2)C)O",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","57"]
[5,581,"PHENOBARBITAL","50-06-6","CCC1(C(NC(NC1=O)=O)=O)c2ccccc2","CCC1(C(NC(NC1=O)=O)=O)c2ccccc2","CCC1(C(NC(NC1=O)=O)=O)c2ccccc2",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[6,4125,"METHARBITAL","50-11-3","CCC1(C(N(C(NC1=O)=O)C)=O)CC","CCC1(C(N(C(NC1=O)=O)C)=O)CC","CCC1(C(N(C(NC1=O)=O)C)=O)CC","CCC1(C(N(C(NC1=O)=O)C)=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[7,1353,"MEPERIDINE","50-13-5","CCOC(=O)C1(CCN(CC1)C)c2ccccc2","CCOC(=O)C1(CCN(CC1)C)c2ccccc2","CCOC(=O)C1(CCN(CC1)C)c2ccccc2",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"125"]
[8,3287,"CYCLOPHOSPHAMIDE","50-18-0","O=P1(OCCCN1)N(CCCl)CCCl","O=P1(OCCCN1)N(CCCl)CCCl","O=P1(OCCCN1)N(CCCl)CCCl","O=P1(OCCCN1)N(CCCl)CCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[9,439,"HYDROXYPHENAMATE","50-19-1","CCC(O)(COC(N)=O)c1ccccc1","CCC(O)(COC(N)=O)c1ccccc1",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[10,2148,"LACTIC ACID","50-21-5","CC(O)C(=O)O","CC(O)C(=O)O","CC(O)C(=O)O","CC(O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"290, 2354"]
[11,1757,"CORTICOSTERONE","50-22-6","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C)C(C(=O)CO)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C)C(C(=O)CO)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C)C(C(=O)CO)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C)C(C(=O)CO)CC4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[12,1758,"HYDROCORTISONE","50-23-7","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[13,1752,"PREDNISOLONE","50-24-8","CC12C(=CC(C=C1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C","CC12C(=CC(C=C1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C","CC12C(=CC(C=C1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C","CC12C(=CC(C=C1)=O)CCC3C4C(CC(C23)O)(C(CC4)(O)C(=O)CO)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","68"]
[14,1575,"ESTRADIOL","50-28-2","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","141"]
[15,1256,"P,P'-DDT","50-29-3","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[16,3357,"2,6-DICHLOROBENZOIC ACID","50-30-6","O=C(O)c1c(cccc1Cl)Cl","O=C(O)c1c(cccc1Cl)Cl","O=C(O)c1c(cccc1Cl)Cl","O=C(O)c1c(cccc1Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[17,3344,"2,3,6-TRICHLOROBENZOIC ACID","50-31-7","O=C(O)c1c(c(ccc1Cl)Cl)Cl","O=C(O)c1c(c(ccc1Cl)Cl)Cl","O=C(O)c1c(c(ccc1Cl)Cl)Cl","O=C(O)c1c(c(ccc1Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[18,1672,"BENZO(A)PYRENE","50-32-8","c1cc2c(cc1)c3ccc4cccc5ccc(c2)c3c54","c1cc2c(cc1)c3ccc4cccc5ccc(c2)c3c54","c1cc2c(cc1)c3ccc4cccc5ccc(c2)c3c54","c1cc2c(cc1)c3ccc4cccc5ccc(c2)c3c54",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[19,1632,"PHENYLBUTAZONE","50-33-9","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccccc3)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[20,973,"THALIDOMIDE","50-35-1","O=C1NC(C(CC1)N2C(c3c(C2=O)cccc3)=O)=O","O=C1NC(C(CC1)N2C(c3c(C2=O)cccc3)=O)=O","O=C1NC(C(CC1)N2C(c3c(C2=O)cccc3)=O)=O","O=C1NC(C(CC1)N2C(c3c(C2=O)cccc3)=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[21,1508,"COCAINE","50-36-2","COC(=O)C1C2CCC(CC1OC(=O)c3ccccc3)N2C",null,"COC(=O)C1C2CCC(CC1OC(=O)c3ccccc3)N2C","COC(=O)C1C2CCC(CC1OC(=O)c3ccccc3)N2C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[22,2604,"6-PURINETHIOL HYDRATE","50-44-2","Sc1c2c(ncn1)nc[nH]2","S=c1c2c([nH]cn1)nc[nH]2",null,"S=c1c2c(nc[nH]1)[nH]cn2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[23,1566,"DESIPRAMINE","50-47-5","CNCCCN1c2c(CCc3c1cccc3)cccc2","CNCCCN1c2c(CCc3c1cccc3)cccc2","CNCCCN1c2c(CCc3c1cccc3)cccc2","CNCCCN1c2c(CCc3c1cccc3)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[24,1699,"amitryptyline","50-48-6",null,"CN(C)CCC=C1c2c(CCc3c1cccc3)cccc2",null,"CN(C)CCC=C1c2c(CCc3c1cccc3)cccc2",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[25,1645,"IMIPRAMINE","50-49-7","CN(C)CCCN1c2c(CCc3c1cccc3)cccc2","CN(C)CCCN1c2c(CCc3c1cccc3)cccc2","CN(C)CCCN1c2c(CCc3c1cccc3)cccc2","CN(C)CCCN1c2c(CCc3c1cccc3)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[26,1487,"CHLORPROMAZINE","50-53-3","CN(C)CCCN1c2c(Sc3c1cccc3)ccc(Cl)c2","CN(C)CCCN1c2c(Sc3c1cccc3)ccc(Cl)c2","CN(C)CCCN1c2c(Sc3c1cccc3)ccc(Cl)c2","CN(C)CCCN1c2c(Sc3c1cccc3)ccc(Cl)c2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[27,2039,"RESERPINE","50-55-5","COC(=O)C1C(C(CC2C1CC3N(CCc4c3[nH]c5c4ccc(c5)OC)C2)OC(=O)c6cc(c(c(c6)OC)OC)OC)OC","COC(=O)C1C(C(CC2C1CC3N(CCc4c3[nH]c5c4ccc(c5)OC)C2)OC(=O)c6cc(c(c(c6)OC)OC)OC)OC","COC(=O)C1C(C(CC2C1CC3N(CCc4c3[nH]c5c4ccc(c5)OC)C2)OC(=O)c6cc(c(c(c6)OC)OC)OC)OC","COC(=O)C1C(C(CC2C1CC3N(CCc4c3[nH]c5c4ccc(c5)OC)C2)OC(=O)c6cc(c(c(c6)OC)OC)OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[28,1086,"NICLOSAMIDE","50-65-7","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O","O=C(Nc1c(cc(cc1)[N+](=O)[O-])Cl)c2c(ccc(c2)Cl)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2899"]
[29,57,"5-HYDROXYTRYPTAMINE","50-67-9","NCCc1c2c([nH]c1)ccc(O)c2","NCCc1c2c([nH]c1)ccc(O)c2","NCCc1c2c([nH]c1)ccc(O)c2","NCCc1c2c([nH]c1)ccc(O)c2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[30,2904,"SORBITOL","50-70-4","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","268, 2396"]
[31,4286,"ACETYLSALICYLIC ACID","50-78-2","CC(=O)Oc1c(cccc1)C(=O)O","CC(=O)Oc1c(cccc1)C(=O)O","CC(=O)Oc1c(cccc1)C(=O)O","CC(=O)Oc1c(cccc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[32,3356,"2,5-DICHLOROBENZOIC ACID","50-79-3","O=C(O)c1c(ccc(c1)Cl)Cl","O=C(O)c1c(ccc(c1)Cl)Cl","O=C(O)c1c(ccc(c1)Cl)Cl","O=C(O)c1c(ccc(c1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[33,3147,"ASCORBIC ACID","50-81-7","O=C1C(OC(=C1O)O)C(O)CO","O=C1C(OC(=C1O)O)C(O)CO","O=C1C(=C(C(O1)C(O)CO)O)O","O=C1C(=C(C(O1)C(O)CO)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","636"]
[34,3345,"2,4,5-TRICHLOROBENZOIC ACID","50-82-8","O=C(O)c1c(cc(c(c1)Cl)Cl)Cl","O=C(O)c1c(cc(c(c1)Cl)Cl)Cl","O=C(O)c1c(cc(c(c1)Cl)Cl)Cl","O=C(O)c1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[35,3355,"2,4-DICHLOROBENZOIC ACID","50-84-0","O=C(O)c1c(cc(cc1)Cl)Cl","O=C(O)c1c(cc(cc1)Cl)Cl","O=C(O)c1c(cc(cc1)Cl)Cl","O=C(O)c1c(cc(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[36,3963,"4-METHYLSALICYLIC ACID","50-85-1","Cc1cc(c(cc1)C(=O)O)O","Cc1cc(c(cc1)C(=O)O)O","Cc1cc(c(cc1)C(=O)O)O","Cc1cc(c(cc1)C(=O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[37,null,"GLUCOSE","50-99-7","O=CC(O)C(O)C(O)C(O)CO","OCC1C(C(C(C(O1)O)O)O)O","O=CC(O)C(O)C(O)C(O)CO","O=CC(O)C(O)C(O)C(O)CO",3,1,0,"NO","YES",null,null,"Eliminate","-","Stereochemistry removed, Missing/ambiguous"]
[38,1664,"piperonylbutoxide","51-03-6","OCCCCCc1cc2c(cc1)OCO2","CCCCOCCOCCOCc1c(cc2c(c1)OCO2)CCC","CCCCOCCOCCOCc1c(cc2c(c1)OCO2)CCC","CCCCOCCOCCOCc1c(cc2c(c1)OCO2)CCC",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[39,3451,"BENZIMIDAZOLE","51-17-2","c1cc2c(cc1)[nH]cn2","c1cc2c(cc1)[nH]cn2","c1cc2c(cc1)[nH]cn2","c1cc2c(cc1)[nH]cn2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[40,2273,"5-BROMOURACIL","51-20-7","O=c1[nH]c(c(c[nH]1)Br)=O","O=c1[nH]c(c(c[nH]1)Br)=O","O=c1[nH]c(c(c[nH]1)Br)=O","O=c1[nH]c(c(c[nH]1)Br)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[41,2274,"5-FLUOROURACIL","51-21-8","O=c1[nH]c(c(c[nH]1)F)=O","O=c1[nH]c(c(c[nH]1)F)=O","O=c1[nH]c(c(c[nH]1)F)=O","O=c1[nH]c(c(c[nH]1)F)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[42,3021,"2,4-DINITROPHENOL","51-28-5","O=[N+]([O-])c1cc(c(cc1)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)O)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[43,1509,"SCOPOLAMINE","51-34-3","CN1C2CC(CC1C3C2O3)OC(=O)C(CO)c4ccccc4","CN1C2CC(CC1C3C2O3)OC(=O)C(CO)c4ccccc4","CN1C2CC(CC1C3C2O3)OC(=O)C(CO)c4ccccc4","CN1C2CC(CC1C3C2O3)OC(=O)C(CO)c4ccccc4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[44,2699,"HYDROXYPROLINE","51-35-4","O=C(O)C1NCC(C1)O","O=C(O)C1NCC(C1)O",null,"O=C(O)C1NCC(C1)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[45,3358,"3,5-DICHLOROBENZOIC ACID","51-36-5","O=C(O)c1cc(cc(c1)Cl)Cl","O=C(O)c1cc(cc(c1)Cl)Cl","O=C(O)c1cc(cc(c1)Cl)Cl","O=C(O)c1cc(cc(c1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[46,4118,"ADRENALINE TARTRATE (1:1)","51-42-3","CNCC(O)c1cc(c(cc1)O)O","CNCC(O)c1cc(c(cc1)O)O",null,"CNCC(O)c1cc(c(cc1)O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","47"]
[47,4118,"EPINEPHRINE","51-43-4","CNCC(O)c1cc(c(cc1)O)O","CNCC(O)c1cc(c(cc1)O)O","CNCC(O)c1cc(c(cc1)O)O","CNCC(O)c1cc(c(cc1)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","46"]
[48,3359,"3,4-DICHLOROBENZOIC ACID","51-44-5","O=C(O)c1cc(c(cc1)Cl)Cl","O=C(O)c1cc(c(cc1)Cl)Cl","O=C(O)c1cc(c(cc1)Cl)Cl","O=C(O)c1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[49,3175,"propylthiouracil","51-52-5","CCCn1c([nH]ccc1=O)=S","CCCc1[nH]c([nH]c(c1)=O)=S","CCCc1[nH]c([nH]c(c1)=O)=S","CCCc1[nH]c([nH]c(c1)=O)=S",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[50,1514,"ATROPINE","51-55-8","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","908"]
[51,4069,"P-METHOXYACETANILIDE","51-66-1","COc1ccc(cc1)NC(C)=O","COc1ccc(cc1)NC(C)=O","COc1ccc(cc1)NC(C)=O","COc1ccc(cc1)NC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[52,3686,"4-(2-AMINOETHYL)PHENOL","51-67-2","NCCc1ccc(cc1)O","NCCc1ccc(cc1)O","NCCc1ccc(cc1)O","NCCc1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[53,2517,"Mechlorethamine","51-75-2","CN(CCCl)CCCl","CN(CCCl)CCCl","CN(CCCl)CCCl","CN(CCCl)CCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[54,2170,"O-ETHYL CARBAMATE (URETHANE)","51-79-6","CCOC(N)=O","CCOC(N)=O","CCOC(N)=O",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[55,1801,"Norethindrone acetate","51-98-9","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)OC(C)=O","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)OC(C)=O","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)OC(C)=O","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)OC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[56,1846,"SPIRONOLACTONE","52-01-7","CC(=O)SC1C2C(C3(C(C1)=CC(=O)CC3)C)CCC4(C5(CCC42)OC(CC5)=O)C","CC(=O)SC1C2C(C3(C(C1)=CC(=O)CC3)C)CCC4(C5(CCC42)OC(CC5)=O)C","CC(=O)SC1C2C(C3(C(C1)=CC(=O)CC3)C)CCC4(C5(CCC42)OC(CC5)=O)C","CC(=O)SC1C2C(C3(C(C1)=CC(=O)CC3)C)CCC4(C5(CCC42)OC(CC5)=O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[57,1832,"PREDNISOLONE ACETATE","52-21-1","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","4"]
[58,2791,"THIOTEPA","52-24-4","S=P(N1CC1)(N2CC2)N3CC3","S=P(N1CC1)(N2CC2)N3CC3","S=P(N1CC1)(N2CC2)N3CC3","S=P(N1CC1)(N2CC2)N3CC3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[59,644,"CYCLOBARBITAL","52-31-3","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCC2","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCC2","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCC2","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCC2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[60,1753,"ALDOSTERONE","52-39-1","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C=O)C(C(=O)CO)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C=O)C(C(=O)CO)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C=O)C(C(=O)CO)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)O)(C=O)C(C(=O)CO)CC4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[61,58,"ALLOBARBITAL","52-43-7","C=CCC1(C(NC(NC1=O)=O)=O)CC=C","C=CCC1(C(NC(NC1=O)=O)=O)CC=C","C=CCC1(C(NC(NC1=O)=O)=O)CC=C","C=CCC1(C(NC(NC1=O)=O)=O)CC=C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[62,2115,"1,3-Propanediol, 2-bromo-2-nitro-","52-51-7","O=[N+]([O-])C(Br)(CO)CO","O=[N+]([O-])C(Br)(CO)CO","O=[N+]([O-])C(Br)(CO)CO","O=[N+]([O-])C(Br)(CO)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[63,2763,"CYCLOLEUCINE","52-52-8","NC1(CCCC1)C(=O)O","NC1(CCCC1)C(=O)O","NC1(CCCC1)C(=O)O","NC1(CCCC1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[64,4618,"pencillamine","52-67-5",null,"CC(C)(S)C(N)C(=O)O",null,"CC(C)(S)C(N)C(=O)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[65,2391,"TRICHLORFON","52-68-6","COP(=O)(OC)C(O)C(Cl)(Cl)Cl","COP(=O)(OC)C(O)C(Cl)(Cl)Cl","COP(=O)(OC)C(O)C(Cl)(Cl)Cl",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[66,1741,"HALOPERIDOL","52-86-8","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Cl)c3ccc(cc3)F","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Cl)c3ccc(cc3)F","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Cl)c3ccc(cc3)F","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Cl)c3ccc(cc3)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[67,2174,"CYSTEINE","52-90-4","NC(CS)C(=O)O","NC(CS)C(=O)O","NC(CS)C(=O)O","NC(CS)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[68,1752,"CORTISONE","53-06-5","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)=O)(C(CC4)(O)C(=O)CO)C","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)=O)(C(CC4)(O)C(=O)CO)C","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)=O)(C(CC4)(O)C(=O)CO)C","CC12C(=CC(CC1)=O)CCC3C4C(CC(C23)=O)(C(CC4)(O)C(=O)CO)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","13"]
[69,1569,"ESTRONE","53-16-7","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2=O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2=O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2=O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[70,1099,"O,P'-DDD","53-19-0","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)Cl","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)Cl","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)Cl","Clc1ccc(cc1)C(c2c(cccc2)Cl)C(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[71,1662,"ANDROSTERONE","53-41-8","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1852, 1982"]
[72,1661,"PRASTERONE","53-43-0","CC12C(C3C(CC1)C4(C(=CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(=CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(=CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(=CC3)CC(O)CC4)C)CCC2=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","147"]
[73,1767,"DIBENZ(A,H)ANTHRACENE","53-70-3","c1cc2c(cc1)c3c(cc2)cc4c5c(ccc4c3)cccc5","c1cc2c(cc1)c3c(cc2)cc4c5c(ccc4c3)cccc5","c1cc2c(cc1)c3c(cc2)cc4c5c(ccc4c3)cccc5","c1cc2c(cc1)c3c(cc2)cc4c5c(ccc4c3)cccc5",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[74,1620,"INDOMETHACIN","53-86-1","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)c3ccc(cc3)Cl","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)c3ccc(cc3)Cl","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)c3ccc(cc3)Cl","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)c3ccc(cc3)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[75,118,"NICOTINE","54-11-5","CN1C(CCC1)c2cnccc2","CN1C(CCC1)c2cnccc2","CN1C(CCC1)c2cnccc2","CN1C(CCC1)c2cnccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[76,3482,"SODIUM SALICYLATE","54-21-7","O=C(O)c1c(cccc1)O","O=C(O)c1c(cccc1)O","O=C(O)c1c(cccc1)O","O=C(O)c1c(cccc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"269"]
[77,556,"FUROSEMIDE","54-31-9","NS(=O)(=O)c1c(cc(c(c1)C(=O)O)NCc2occc2)Cl","NS(=O)(=O)c1c(cc(c(c1)C(=O)O)NCc2occc2)Cl","NS(=O)(=O)c1c(cc(c(c1)C(=O)O)NCc2occc2)Cl","NS(=O)(=O)c1c(cc(c(c1)C(=O)O)NCc2occc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[78,4061,"URIDINE, 2'-DEOXY-5-IODO-","54-42-2","O=c1c(cn(c([nH]1)=O)C2OC(C(C2)O)CO)I","O=c1c(cn(c([nH]1)=O)C2OC(C(C2)O)CO)I","O=c1c(cn(c([nH]1)=O)C2OC(C(C2)O)CO)I","O=c1c(cn(c([nH]1)=O)C2OC(C(C2)O)CO)I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[79,3105,"ISONIAZID","54-85-3","NNC(=O)c1ccncc1","NNC(=O)c1ccncc1","NNC(=O)c1ccncc1","NNC(=O)c1ccncc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[80,2220,"N-NITROSODIETHYLAMINE","55-18-5","CCN(CC)N=O","CCN(CC)N=O",null,"CCN(CC)N=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[81,3524,"BENZAMIDE","55-21-0","NC(=O)c1ccccc1","NC(=O)c1ccccc1","NC(=O)c1ccccc1","NC(=O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[82,null,"ISONICOTINIC ACID","55-22-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Organic counterion, Missing/ambiguous"]
[83,150,"FENTHION","55-38-9","COP(=S)(OC)Oc1cc(c(cc1)SC)C","COP(=S)(OC)Oc1cc(c(cc1)SC)C","COP(=S)(OC)Oc1cc(c(cc1)SC)C","COP(=S)(OC)Oc1cc(c(cc1)SC)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[84,1807,"CHLORHEXIDINE","55-56-1","NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(cc1)Cl)N=C(N)Nc2ccc(cc2)Cl","NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(cc1)Cl)N=C(N)Nc2ccc(cc2)Cl","N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl)NC(=N)Nc2ccc(cc2)Cl","N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl)NC(=N)Nc2ccc(cc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[85,2101,"1,2,3-propanetrioltrinitrate","55-63-0","OCC(O)CO","O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]","O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]","O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[86,1327,"4-DIMETHYLAMINO-3'-METHYLAZOBENZENE","55-80-1","Cc1cc(ccc1)N=Nc2ccc(cc2)N(C)C","Cc1cc(ccc1)N=Nc2ccc(cc2)N(C)C","Cc1cc(ccc1)N=Nc2ccc(cc2)N(C)C","Cc1cc(ccc1)N=Nc2ccc(cc2)N(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[87,2862,"ISOFLUROPHATE","55-91-4","CC(C)OP(=O)(F)OC(C)C","CC(C)OP(=O)(F)OC(C)C","CC(C)OP(=O)(F)OC(C)C","CC(C)OP(=O)(F)OC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[88,2637,"METACIL","56-04-2","Cc1[nH]c([nH]c(c1)=O)=S","Cc1[nH]c([nH]c(c1)=O)=S","Cc1[nH]c([nH]c(c1)=O)=S","Cc1[nH]c([nH]c(c1)=O)=S",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[89,2455,"4-AMINOBUTYRIC ACID","56-12-2","NCCCC(=O)O","NCCCC(=O)O","NCCCC(=O)O","NCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[90,4330,"CARBON TETRACHLORIDE","56-23-5","ClC(Cl)(Cl)Cl","ClC(Cl)(Cl)Cl","ClC(Cl)(Cl)Cl","ClC(Cl)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[91,82,"Cantharidin","56-25-7","CC12C(C(OC1=O)=O)(C)C3OC2CC3","CC12C(C(OC1=O)=O)(C)C3OC2CC3","CC12C(C(OC1=O)=O)(C)C3OC2CC3","CC12C(C(OC1=O)=O)(C)C3OC2CC3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[92,4484,"hexabarital","56-29-1",null,"CN1C(C(C(NC1=O)=O)(C)C=2CCCCC2)=O",null,"CN1C(=NC(C(C1=O)(C)C=2CCCCC2)=O)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[93,null,"Tributyl tin acetate","56-36-0","CCCC[Sn+](CCCC)CCCC",null,"CCCC[Sn](CCCC)(CCCC)OC(C)=O","CCCC[Sn](CCCC)(CCCC)OC(C)=O",2,1,1,"NO","YES",null,null,"Eliminate","-","Unusual elements, Missing/ambiguous"]
[94,129,"PARATHION","56-38-2","CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-]","CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-]","CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-]","CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[95,1986,"GLYCINE","56-40-6","NCC(=O)O","NCC(=O)O","NCC(=O)O","NCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[96,2167,"ALANINE","56-41-7","CC(N)C(=O)O","CC(N)C(=O)O","CC(N)C(=O)O","CC(N)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1710, 1743"]
[97,2178,"SERINE","56-45-1","NC(CO)C(=O)O","NC(CO)C(=O)O","NC(CO)C(=O)O","NC(CO)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1711, 1719, 3791"]
[98,1836,"DEOXYCORTICOSTERONE ACETATE","56-47-3","CC(=O)OCC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C","CC(=O)OCC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C","CC(=O)OCC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C","CC(=O)OCC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[99,1730,"3-METHYLCHOLANTHRENE","56-49-5","Cc1c2c3c(cc1)cc4c5c(ccc4c3CC2)cccc5","Cc1c2c3c(cc1)cc4c5c(ccc4c3CC2)cccc5","Cc1c2c3c(cc1)cc4c5c(ccc4c3CC2)cccc5","Cc1c2c3c(cc1)cc4c5c(ccc4c3CC2)cccc5",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[100,1559,"DES","56-53-1","CCC(=C(CC)c1ccc(cc1)O)c2ccc(cc2)O","CCC(=C(CC)c1ccc(cc1)O)c2ccc(cc2)O","CCC(=C(CC)c1ccc(cc1)O)c2ccc(cc2)O","CCC(=C(CC)c1ccc(cc1)O)c2ccc(cc2)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[101,1704,"QUINIDINE","56-54-2","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1495, 2120, 3703"]
[102,1535,"BENZ(A)ANTHRACENE","56-55-3","c1cc2c(cc1)cc3c4c(ccc3c2)cccc4","c1cc2c(cc1)cc3c4c(ccc3c2)cccc4","c1cc2c(cc1)cc3c4c(ccc3c2)cccc4","c1cc2c(cc1)cc3c4c(ccc3c2)cccc4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[103,163,"Adenosine Triphosphate","56-65-5","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[104,379,"TRYPTOPHAN, 5-HYDROXY-","56-69-9","NC(Cc1c2c([nH]c1)ccc(O)c2)C(=O)O","NC(Cc1c2c([nH]c1)ccc(O)c2)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[105,1165,"COUMAPHOS","56-72-4","CCOP(=S)(OCC)Oc1cc2c(cc1)c(C)c(Cl)c(=O)o2","CCOP(=S)(OCC)Oc1cc2c(cc1)c(C)c(Cl)c(=O)o2","CCOP(=S)(OCC)Oc1cc2c(cc1)c(C)c(Cl)c(=O)o2","CCOP(=S)(OCC)Oc1cc2c(cc1)c(C)c(Cl)c(=O)o2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[106,369,"CHLORAMPHENICOL","56-75-7","O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)Cl","O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)Cl","O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)Cl","O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[107,2193,"GLYCEROL","56-81-5","OCC(O)CO","OCC(O)CO","OCC(O)CO","OCC(O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[108,4606,"propanal,2,3-dihydroxy-,(ñ)-","56-82-6",null,"O=CC(O)CO",null,"O=CC(O)CO",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[109,2373,"ASPARTIC ACID","56-84-8","NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","2454"]
[110,2479,"GLUTAMINE","56-85-9","NC(=O)CCC(N)C(=O)O","NC(=O)CCC(N)C(=O)O",null,"NC(=O)CCC(N)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[111,2701,"GLUTAMIC ACID","56-86-0","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",null,"NC(CCC(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","1536, 1582, 2458, 3790, 3792"]
[112,2868,"LYSINE","56-87-1","NCCCCC(N)C(=O)O","NCCCCC(N)C(=O)O","NCCCCC(N)C(=O)O","NCCCCC(N)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[113,2788,"CYSTINE","56-89-3","NC(CSSCC(N)C(=O)O)C(=O)O","NC(CSSCC(N)C(=O)O)C(=O)O",null,"NC(CSSCC(N)C(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[114,2442,"CREATINE","57-00-1","CN(CC(=O)O)C(=N)N","CN(CC(=O)O)C(=N)N","CN(CC(=O)O)C(=N)N","CN(CC(=O)O)C(=N)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[115,2204,"Glycerophosphoric Acid","57-03-4","O=P(O)(O)OCC(O)CO","O=P(O)(O)OCC(O)CO","O=P(O)(O)OCC(O)CO","O=P(O)(O)OCC(O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[116,2316,"3-ISOTHIOCYANATO-1-PROPENE","57-06-7","C=CCN=C=S","C=CCN=C=S","C=CCN=C=S","C=CCN=C=S",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[117,1456,"PALMITIC ACID","57-10-3","CCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[118,1596,"STEARIC ACID","57-11-4","CCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[119,4357,"UREA","57-13-6","NC(N)=O","NC(N)=O","NC(N)=O","NC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[120,2014,"1,1-DIMETHYLHYDRAZINE","57-14-7","CN(C)N","CN(C)N","CN(C)N","CN(C)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[121,2361,"B,B,B-TRICHLORO-T-BUTANOL","57-15-8",null,"CC(C)(O)C(Cl)(Cl)Cl","CC(C)(O)C(Cl)(Cl)Cl","CC(C)(O)C(Cl)(Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[122,1738,"STRYCHNINE","57-24-9","O=C1N2c3c(C45CCN6CC7=CCOC(C1)C(C42)C7CC65)cccc3","O=C1N2c3c(C45CCN6CC7=CCOC(C1)C(C42)C7CC65)cccc3","O=C1N2c3c(C45CCN6CC7=CCOC(C1)C(C42)C7CC65)cccc3","O=C1N2c3c(C45CCN6CC7=CCOC(C1)C(C42)C7CC65)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[123,1492,"MORPHINE","57-27-2","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Differences in counterions","228"]
[124,1288,"PHENYTOIN","57-41-0","O=C1NC(C(N1)=O)(c2ccccc2)c3ccccc3","O=C1NC(C(N1)=O)(c2ccccc2)c3ccccc3","O=C1NC(C(N1)=O)(c2ccccc2)c3ccccc3","O=C1NC(C(N1)=O)(c2ccccc2)c3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[125,1353,"DEMEROL","57-42-1","CCOC(=O)C1(CCN(CC1)C)c2ccccc2","CCOC(=O)C1(CCN(CC1)C)c2ccccc2","CCOC(=O)C1(CCN(CC1)C)c2ccccc2","CCOC(=O)C1(CCN(CC1)C)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions","7"]
[126,464,"AMOBARBITAL","57-43-2","CCC1(C(NC(NC1=O)=O)=O)CCC(C)C","CCC1(C(NC(NC1=O)=O)=O)CCC(C)C","CCC1(C(NC(NC1=O)=O)=O)CCC(C)C","CCC1(C(NC(NC1=O)=O)=O)CCC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[127,3696,"BARBITAL","57-44-3","CCC1(C(NC(NC1=O)=O)=O)CC","CCC1(C(NC(NC1=O)=O)=O)CC","CCC1(C(NC(NC1=O)=O)=O)CC","CCC1(C(NC(NC1=O)=O)=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[128,null,"Fructose","57-48-7","O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO","OCC1C(C(C(O1)(O)CO)O)O","OCC1C(C(C(O1)(O)CO)O)O",2,2,0,"YES","NO",null,null,"Eliminate","-","Stereochemistry removed, Missing/ambiguous"]
[129,693,"SUCROSE","57-50-1","OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O","OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O","OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O","OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[130,4171,"MEPROBAMATE","57-53-4","CCCC(C)(COC(N)=O)COC(N)=O","CCCC(C)(COC(N)=O)COC(N)=O","CCCC(C)(COC(N)=O)COC(N)=O","CCCC(C)(COC(N)=O)COC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[131,2190,"1,2-PROPANEDIOL","57-55-6","CC(O)CO","CC(O)CO","CC(O)CO","CC(O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[132,2079,"BETA-PROPIOLACTONE","57-57-8","O=C1OCC1","O=C1OCC1","O=C1OCC1","O=C1OCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[133,1785,"AUREOMYCIN","57-62-5","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4Cl)(C)O)C2","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4Cl)(C)O)C2","CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4Cl)(C)O)C2","CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4Cl)(C)O)C2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Differences in counterions",""]
[134,1705,"ETHINYL ESTRADIOL","57-63-6","C#CC1(C2(C(CC1)C3C(c4c(CC3)cc(O)cc4)CC2)C)O","C#CC1(C2(C(CC1)C3C(c4c(CC3)cc(O)cc4)CC2)C)O","C#CC1(C2(C(CC1)C3C(c4c(CC3)cc(O)cc4)CC2)C)O","C#CC1(C2(C(CC1)C3C(c4c(CC3)cc(O)cc4)CC2)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[135,3176,"sulfanilylguanadine","57-67-0",null,"NC(N)=NS(=O)(=O)c1ccc(cc1)N",null,"N=C(N)NS(=O)(=O)c1ccc(cc1)N",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[136,615,"SULFAMETHAZINE","57-68-1","Cc1nc(nc(c1)C)NS(=O)(=O)c2ccc(cc2)N","Cc1nc(nc(c1)C)NS(=O)(=O)c2ccc(cc2)N","Cc1nc(nc(c1)C)NS(=O)(=O)c2ccc(cc2)N","Cc1nc(nc(c1)C)NS(=O)(=O)c2ccc(cc2)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[137,274,"CHLORDANE","57-74-9","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"3561, 3562"]
[138,1754,"PROGESTERONE","57-83-0","CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C","CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C","CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C","CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[139,1811,"TESTOSTERONE PROPIONATE","57-85-2","CCC(=O)OC1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C","CCC(=O)OC1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C","CCC(=O)OC1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C","CCC(=O)OC1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[140,1883,"CHOLESTEROL","57-88-5","CC(C)CCCC(C)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C","CC(C)CCCC(C)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C",null,"CC(C)CCCC(C)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[141,1575,"a-Estradiol","57-91-0",null,"CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O","CC12C(C3C(CC1)c4c(cc(cc4)O)CC3)CCC2O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","14"]
[142,4587,"7,12-dime-benz(a)anthracene","57-97-6",null,"Cc1c2c(c(c3c1cccc3)C)c4c(cc2)cccc4",null,"Cc1c2c(c(c3c1cccc3)C)c4c(cc2)cccc4",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[143,1483,"6A-BETA-APORPHINE-10,11-DIOL","58-00-4","CN1C2c3c(CC1)cccc3-c4c(C2)ccc(O)c4O",null,null,"CN1C2c3c(CC1)cccc3-c4c(C2)ccc(O)c4O",2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[144,3633,"CAFFEINE","58-08-2","Cn1c(n(c2c(c1=O)n(cn2)C)C)=O","Cn1c(n(c2c(c1=O)n(cn2)C)C)=O","Cn1c(n(c2c(c1=O)n(cn2)C)C)=O","Cn1c(n(c2c(c1=O)n(cn2)C)C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[145,1035,"AMINOPYRINE","58-15-1","Cc1n(n(c(c1N(C)C)=O)-c2ccccc2)C","Cc1n(n(c(c1N(C)C)=O)-c2ccccc2)C","Cc1n(n(c(c1N(C)C)=O)-c2ccccc2)C","Cc1n(n(c(c1N(C)C)=O)-c2ccccc2)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[146,4589,"17-a-methyltestosterone","58-18-4",null,"CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C(CC4)(C)O)C",null,"CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C(CC4)(C)O)C",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[147,1661,"TESTOSTERONE","58-22-0","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(O)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(O)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(O)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(O)CC4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","72"]
[148,1404,"LIBRIUM","58-25-3","CN=C1N=c2c(=C(N(C1)O)c3ccccc3)cc(Cl)cc2","CN=C1N=c2c(=C(N(C1)O)c3ccccc3)cc(Cl)cc2","CNC=1C[N+](=C(c2c(N1)ccc(Cl)c2)c3ccccc3)[O-]","CNC=1C[N+](=C(c2c(N1)ccc(Cl)c2)c3ccccc3)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[149,517,"2-METHYL-1,4-NAPHTHOQUINONE","58-27-5","CC=1C(c2c(C(C1)=O)cccc2)=O","CC=1C(c2c(C(C1)=O)cccc2)=O","CC=1C(c2c(C(C1)=O)cccc2)=O","CC=1C(c2c(C(C1)=O)cccc2)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[150,1702,"prochloroperazine","58-38-8",null,"CN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",null,"CN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[151,1746,"PERPHENAZINE","58-39-9","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[152,1501,"PROMAZINE","58-40-2","CN(C)CCCN1c2c(Sc3c1cccc3)cccc2","CN(C)CCCN1c2c(Sc3c1cccc3)cccc2","CN(C)CCCN1c2c(Sc3c1cccc3)cccc2","CN(C)CCCN1c2c(Sc3c1cccc3)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[153,3561,"THEOPHYLLINE","58-55-9","Cn1c(n(c2c(c1=O)[nH]cn2)C)=O","Cn1c(n(c2c(c1=O)[nH]cn2)C)=O","Cn1c(n(c2c(c1=O)[nH]cn2)C)=O","Cn1c(n(c2c(c1=O)[nH]cn2)C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[154,3688,"PYRIDOXINE HYDROCHLORIDE","58-56-0","Cc1c(c(c(cn1)CO)CO)O","Cc1c(c(c(cn1)CO)CO)O","Cc1c(c(c(cn1)CO)CO)O","Cc1c(c(c(cn1)CO)CO)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[155,67,"INOSINE","58-63-9","OCC1C(C(C(O1)n2c3c(nc2)c(O)ncn3)O)O","O=c1c2c([nH]cn1)n(cn2)C3C(C(C(O3)CO)O)O","OCC1C(C(C(O1)n2c3c(nc2)c(O)ncn3)O)O","OCC1C(C(C(O1)n2c3c(nc2)c(O)ncn3)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[156,1506,"DIPHENHYDRAMINE","58-73-1","CN(C)CCOC(c1ccccc1)c2ccccc2","CN(C)CCOC(c1ccccc1)c2ccccc2","CN(C)CCOC(c1ccccc1)c2ccccc2","CN(C)CCOC(c1ccccc1)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[157,1695,"PAPAVERINE","58-74-2","COc1c(cc(cc1)Cc2c3c(ccn2)cc(OC)c(OC)c3)OC","COc1c(cc(cc1)Cc2c3c(ccn2)cc(OC)c(OC)c3)OC","COc1c(cc(cc1)Cc2c3c(ccn2)cc(OC)c(OC)c3)OC","COc1c(cc(cc1)Cc2c3c(ccn2)cc(OC)c(OC)c3)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[158,4616,"d-xylose","58-86-6","O=CC(O)C(O)C(O)CO","OC1C(C(C(OC1)O)O)O","OC1C(C(C(OC1)O)O)O","OC1C(C(C(OC1)O)O)O",3,1,0,"NO","NO",4,0,"Maintain","High Reliability","Stereochemistry removed, Manual Check passed",""]
[159,3066,"GAMMA-HEXACHLOROCYCLOHEXANE","58-89-9","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1725, 1726, 1727"]
[160,2938,"2,3,4,6-TETRACHLOROPHENOL","58-90-2","Oc1c(c(c(cc1Cl)Cl)Cl)Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[161,3552,"HYDROCHLOROTHIAZIDE","58-93-5","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[162,3447,"CHLOROTHIAZIDE","58-94-6","NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)S(NC=N2)(=O)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)S(NC=N2)(=O)=O)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[163,2836,"GALACTOSE","59-23-4","O=CC(O)C(O)C(O)C(O)CO","OCC1C(C(C(C(O1)O)O)O)O","OCC1C(C(C(C(O1)O)O)O)O","OCC1C(C(C(C(O1)O)O)O)O",3,1,0,"NO","NO",4,0,"Maintain","High Reliability","Stereochemistry removed, Manual Check passed","1883, 3386"]
[164,121,"NIKETHAMIDE","59-26-7","CCN(CC)C(=O)c1cnccc1","CCN(CC)C(=O)c1cnccc1","CCN(CC)C(=O)c1cnccc1","CCN(CC)C(=O)c1cnccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[165,4259,"2-(1H)-QUINOLINONE","59-31-4","O=c1[nH]c2c(cc1)cccc2","O=c1[nH]c2c(cc1)cccc2",null,"O=c1[nH]c2c(cc1)cccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[166,1127,"SULFAQUINOXALINE","59-40-5","Nc1ccc(cc1)S(=O)(=O)Nc2nc3c(nc2)cccc3","Nc1ccc(cc1)S(=O)(=O)Nc2nc3c(nc2)cccc3","Nc1ccc(cc1)S(=O)(=O)Nc2nc3c(nc2)cccc3","Nc1ccc(cc1)S(=O)(=O)Nc2nc3c(nc2)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[167,658,"Thiamine","59-43-8","Cc1nc(c(cn1)C[n+]2c(c(sc2)CCO)C)N","Cc1nc(c(cn1)C[n+]2c(c(sc2)CCO)C)N","Cc1nc(c(cn1)C[n+]2c(c(sc2)CCO)C)N","Cc1nc(c(cn1)C[n+]2c(c(sc2)CCO)C)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[168,1061,"PROCAINE","59-46-1","CCN(CC)CCOC(=O)c1ccc(cc1)N","CCN(CC)CCOC(=O)c1ccc(cc1)N","CCN(CC)CCOC(=O)c1ccc(cc1)N","CCN(CC)CCOC(=O)c1ccc(cc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[169,4409,"1,2-propanediol-3-(2-tolyloxy)","59-47-2",null,"Cc1c(cccc1)OCC(O)CO",null,"Cc1c(cccc1)OCC(O)CO",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[170,3508,"3-METHYL-4-CHLOROPHENOL","59-50-7","Cc1c(ccc(c1)O)Cl","Cc1c(ccc(c1)O)Cl","Cc1c(ccc(c1)O)Cl","Cc1c(ccc(c1)O)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[171,2534,"DL-Methionine","59-51-8","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"219"]
[172,2194,"1-Propanol, 2,3-dimercapto-","59-52-9","OCC(S)CS","OCC(S)CS","OCC(S)CS","OCC(S)CS",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[173,4636,"a-glucose-1-phosphate","59-56-3",null,"O=P(O)(O)OC1C(C(C(C(O1)CO)O)O)O",null,"O=P(O)(O)OC1C(C(C(C(O1)CO)O)O)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[174,2329,"ACETAZOLEAMIDE","59-66-5","CC(=O)Nc1sc(nn1)S(N)(=O)=O","CC(=O)Nc1sc(nn1)S(N)(=O)=O",null,"CC(=O)Nc1sc(nn1)S(N)(=O)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[175,null,"NICOTINIC ACID","59-67-6",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Organic counterion, Missing/ambiguous"]
[176,2396,"N-NITROSOMORPHOLINE","59-89-2","O=NN1CCOCC1","O=NN1CCOCC1","O=NN1CCOCC1","O=NN1CCOCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[177,4074,"DOPA","59-92-7","NC(Cc1cc(c(cc1)O)O)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O","NC(Cc1cc(c(cc1)O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","3663"]
[178,160,"ethylenediaminetetraaceticacid","60-00-4","NCCN","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem","224"]
[179,null,"TRIBUTYRIN","60-01-5","CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC","CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC","CCCC(=O)OC(OC(=O)CCC)OC(=O)CCC","CCCC(=O)OC(OC(=O)CCC)OC(=O)CCC",2,2,0,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[180,560,"P-PHENYLAZOANILINE","60-09-3","Nc1ccc(cc1)N=Nc2ccccc2","Nc1ccc(cc1)N=Nc2ccccc2","Nc1ccc(cc1)N=Nc2ccccc2","Nc1ccc(cc1)N=Nc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[181,1157,"4-(N,N-DIMETHYLAMINO)AZOBENZENE","60-11-7","CN(C)c1ccc(cc1)N=Nc2ccccc2","CN(C)c1ccc(cc1)N=Nc2ccccc2","CN(C)c1ccc(cc1)N=Nc2ccccc2","CN(C)c1ccc(cc1)N=Nc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[182,3650,"2-PHENYLETHANOL","60-12-8","OCCc1ccccc1","OCCc1ccccc1","OCCc1ccccc1","OCCc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[183,4072,"TYROSINE","60-18-4","NC(Cc1ccc(cc1)O)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",null,"NC(Cc1ccc(cc1)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","2153, 2154"]
[184,2003,"Ethanol, 2-mercapto-","60-24-2","OCCS","OCCS","OCCS","OCCS",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[185,2367,"CREATININE","60-27-5","CN1C(=NC(C1)=O)N","CN1C(=NC(C1)=O)N","CN1C(NC(C1)=O)=N","CN1C(NC(C1)=O)=N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[186,2227,"DIETHYL ETHER","60-29-7","CCOCC","CCOCC","CCOCC","CCOCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[187,2853,"6-AMINOHEXANOIC ACID","60-32-2","NCCCCCC(=O)O","NCCCCCC(=O)O","NCCCCCC(=O)O","NCCCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[188,4371,"METHYL HYDRAZINE","60-34-4","CNN","CNN","CNN","CNN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[189,1982,"ACETAMIDE","60-35-5","CC(N)=O","CC(N)=O","CC(N)=O","CC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[190,2550,"DIMETHOATE","60-51-5","CNC(=O)CSP(=S)(OC)OC","CNC(=O)CSP(=S)(OC)OC","CNC(=O)CSP(=S)(OC)OC","CNC(=O)CSP(=S)(OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[191,1789,"TETRACYCLINE","60-54-8","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4)(C)O)C2","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4)(C)O)C2","CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4)(C)O)C2","CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4)(C)O)C2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[192,924,"DIELDRIN","60-57-1","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","293"]
[193,376,"ANTIPYRINE","60-80-0","Cc1n(n(c(c1)=O)-c2ccccc2)C","Cc1n(n(c(c1)=O)-c2ccccc2)C","Cc1n(n(c(c1)=O)-c2ccccc2)C","Cc1n(n(c(c1)=O)-c2ccccc2)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[194,1304,"PHLORETIN","60-82-2","O=C(CCc1ccc(cc1)O)c2c(cc(cc2O)O)O","O=C(CCc1ccc(cc1)O)c2c(cc(cc2O)O)O","O=C(CCc1ccc(cc1)O)c2c(cc(cc2O)O)O","O=C(CCc1ccc(cc1)O)c2c(cc(cc2O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[195,1500,"PROMETHAZINE","60-87-7","CC(CN1c2c(Sc3c1cccc3)cccc2)N(C)C","CC(CN1c2c(Sc3c1cccc3)cccc2)N(C)C","CC(CN1c2c(Sc3c1cccc3)cccc2)N(C)C","CC(CN1c2c(Sc3c1cccc3)cccc2)N(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[196,1640,"Mepazine","60-89-9","CN1CC(CCC1)CN2c3c(Sc4c2cccc4)cccc3","CN1CC(CCC1)CN2c3c(Sc4c2cccc4)cccc3",null,"CN1CC(CCC1)CN2c3c(Sc4c2cccc4)cccc3",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[197,1650,"METHOTRIMEPRAZINE","60-99-1","COc1cc2c(cc1)Sc3c(N2CC(C)CN(C)C)cccc3","COc1cc2c(cc1)Sc3c(N2CC(C)CN(C)C)cccc3","COc1cc2c(cc1)Sc3c(N2CC(C)CN(C)C)cccc3","COc1cc2c(cc1)Sc3c(N2CC(C)CN(C)C)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[198,127,"5'-Adenylic acid","61-19-8","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[199,3084,"NIRIDAZOLE","61-57-4","O=C1N(CCN1)c2sc(cn2)[N+](=O)[O-]","O=C1N(CCN1)c2sc(cn2)[N+](=O)[O-]","O=C1N(CCN1)c2sc(cn2)[N+](=O)[O-]","O=C1N(CCN1)c2sc(cn2)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[200,1313,"MEFENAMIC ACID","61-68-7","Cc1c(c(ccc1)Nc2c(cccc2)C(=O)O)C","Cc1c(c(ccc1)Nc2c(cccc2)C(=O)O)C","Cc1c(c(ccc1)Nc2c(cccc2)C(=O)O)C","Cc1c(c(ccc1)Nc2c(cccc2)C(=O)O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[201,1424,"METHYLENE BLUE","61-73-4","CN(C)c1cc2c(cc1)nc3c(cc(cc3)N(C)C)[s+]2","CN(C)c1cc2c(cc1)nc3c(cc(cc3)N(C)C)[s+]2","CN(C)c1cc2c(cc1)nc3c(cc(cc3)N(C)C)[s+]2","CN(C)c1cc2c(cc1)nc3c(cc(cc3)N(C)C)[s+]2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[202,1962,"AMITROLE","61-82-5","Nc1[nH]ncn1","Nc1[nH]ncn1","Nc1n[nH]cn1",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[203,2850,"LEUCINE","61-90-5","CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1736"]
[204,3425,"P-NITROBENZOIC ACID","62-23-7","O=C(O)c1ccc(cc1)[N+](=O)[O-]","O=C(O)c1ccc(cc1)[N+](=O)[O-]","O=C(O)c1ccc(cc1)[N+](=O)[O-]","O=C(O)c1ccc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[205,null,"CHLORMERODRIN","62-37-3","COC(C[Hg+])CNC(N)=O","COC(C[Hg+])CNC(N)=O",null,null,2,0,2,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[206,null,"PHENYLMERCURIC ACETATE","62-38-4","CC(=O)O[Hg]c1ccccc1","CC(=O)O[Hg]c1ccccc1","CC(=O)O[Hg]c1ccccc1","CC(=O)O[Hg]c1ccccc1",4,0,0,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[207,98,"P-PHENACETIN","62-44-2",null,"CCOc1ccc(cc1)NC(C)=O","CCOc1ccc(cc1)NC(C)=O","CCOc1ccc(cc1)NC(C)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[208,3104,"ANILINE","62-53-3","Nc1ccccc1","Nc1ccccc1","Nc1ccccc1","Nc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[209,1988,"THIOACETAMIDE","62-55-5","CC(N)=S","CC(N)=S","CC(N)=S","CC(N)=S",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[210,4359,"THIOUREA","62-56-6","NC(N)=S","NC(N)=S","NC(N)=S","NC(N)=S",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[211,2452,"Alanine, 2-methyl-","62-57-7","CC(C)(N)C(=O)O","CC(C)(N)C(=O)O","CC(C)(N)C(=O)O","CC(C)(N)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[212,2036,"CEVADINE","62-59-9","CC=C(C)C(=O)OC1C2(C3C(CC1)(C4(C(CC3)C5(C(C6C(C(C5)O)(C(C7N(C6)CC(C)CC7)(C)O)O)(O)C4)O)O2)C)O","CC=C(C)C(=O)OC1C2(C3C(CC1)(C4(C(CC3)C5(C(C6C(C(C5)O)(C(C7N(C6)CC(C)CC7)(C)O)O)(O)C4)O)O2)C)O","CC=C(C)C(=O)OC1C2(C3C(CC1)(C4(C(CC3)C5(C(C6C(C(C5)O)(C(C7N(C6)CC(C)CC7)(C)O)O)(O)C4)O)O2)C)O","CC=C(C)C(=O)OC1C2(C3C(CC1)(C4(C(CC3)C5(C(C6C(C(C5)O)(C(C7N(C6)CC(C)CC7)(C)O)O)(O)C4)O)O2)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[213,2360,"DICHLORVOS","62-73-7","COP(=O)(OC)OC=C(Cl)Cl","COP(=O)(OC)OC=C(Cl)Cl","COP(=O)(OC)OC=C(Cl)Cl",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[214,1941,"FLUOROACETIC ACID, SODIUM SALT","62-74-8","O=C(O)CF","O=C(O)CF","O=C(O)CF","O=C(O)CF",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1601"]
[215,1992,"N-NITROSODIMETHYLAMINE","62-75-9","CN(C)N=O","CN(C)N=O","CN(C)N=O","CN(C)N=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[216,1658,"ANDROSTENEDIONE","63-05-8","CC12C(C3C(CC1)C4(C(CC3)=CC(=O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(CC3)=CC(=O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(CC3)=CC(=O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(CC3)=CC(=O)CC4)C)CCC2=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[217,564,"1-NAPHTHYL-N-METHYLCARBAMATE","63-25-2","CNC(=O)Oc1c2c(ccc1)cccc2","CNC(=O)Oc1c2c(ccc1)cccc2","CNC(=O)Oc1c2c(ccc1)cccc2",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[218,691,"LACTOSE","63-42-3","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","270, 3687"]
[219,2534,"METHIONINE","63-68-3","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O","CSCCC(N)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","171"]
[220,3133,"SULFANILAMIDE","63-74-1","Nc1ccc(cc1)S(N)(=O)=O","Nc1ccc(cc1)S(N)(=O)=O","Nc1ccc(cc1)S(N)(=O)=O","Nc1ccc(cc1)S(N)(=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[221,3708,"ARECOLINE","63-75-2","COC(=O)C=1CN(CCC1)C","COC(=O)C=1CN(CCC1)C","COC(=O)C=1CN(CCC1)C","COC(=O)C=1CN(CCC1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[222,4070,"PHENYLALANINE","63-91-2","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1625, 2624"]
[223,4445,"n-methylo-(3-isopropylphenyl)carbamate","64-00-6",null,"CNC(=O)Oc1cc(ccc1)C(C)C",null,"CNC(=O)Oc1cc(ccc1)C(C)C",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[224,160,"EDTA, SODIUM SALT","64-02-8",null,"O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"178"]
[225,1997,"ETHANOL","64-17-5","CCO","CCO","CCO",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[226,4343,"FORMIC ACID","64-18-6","O=CO","O=CO","O=CO","O=CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1566, 2288"]
[227,1965,"ACETIC ACID","64-19-7","CC(=O)O","CC(=O)O","CC(=O)O","CC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[228,1492,"MORPHINE SULFATE","64-31-3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5O)C(O)C=C3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Organic counterion, Differences in counterions","123"]
[229,218,"MEBUTAMATE","64-55-1","CCC(C)C(C)(COC(N)=O)COC(N)=O","CCC(C)C(C)(COC(N)=O)COC(N)=O","CCC(C)C(C)(COC(N)=O)COC(N)=O","CCC(C)C(C)(COC(N)=O)COC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[230,2244,"DIETHYL SULFATE","64-67-5","CCOS(=O)(=O)OCC","CCOS(=O)(=O)OCC","CCOS(=O)(=O)OCC","CCOS(=O)(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[231,673,"TOLBUTAMIDE","64-77-7","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[232,1756,"DEOXYCORTICOSTERONE","64-85-7","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(C(=O)CO)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(C(=O)CO)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(C(=O)CO)CC4","CC12C(=CC(CC1)=O)CCC3C4C(CCC23)(C)C(C(=O)CO)CC4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[233,1791,"COLCHICINE","64-86-8","COc1c(c(c-2c(c1)CCC(c3c2ccc(OC)c(=O)c3)NC(C)=O)OC)OC","COc1c(c(c-2c(c1)CCC(c3c2ccc(OC)c(=O)c3)NC(C)=O)OC)OC","COc1c(c(c-2c(c1)CCC(c3c2ccc(OC)c(=O)c3)NC(C)=O)OC)OC","COc1c(c(c-2c(c1)CCC(c3c2ccc(OC)c(=O)c3)NC(C)=O)OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[234,4000,"PYRIDOXAL HYDROCHLORIDE","65-22-5","Cc1c(c(c(cn1)CO)C=O)O","Cc1c(c(c(cn1)CO)C=O)O","Cc1c(c(c(cn1)CO)C=O)O","Cc1c(c(c(cn1)CO)C=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions","245"]
[235,3532,"O-HYDROXYBENZAMIDE","65-45-2","NC(=O)c1c(cccc1)O","NC(=O)c1c(cccc1)O","NC(=O)c1c(cccc1)O","NC(=O)c1c(cccc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[236,3542,"P-AMINOSALICYLIC ACID","65-49-6","Nc1cc(c(cc1)C(=O)O)O","Nc1cc(c(cc1)C(=O)O)O","Nc1cc(c(cc1)C(=O)O)O","Nc1cc(c(cc1)C(=O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[237,2633,"5-METHYLURACIL","65-71-4","Cc1c([nH]c([nH]c1)=O)=O","Cc1c([nH]c([nH]c1)=O)=O","Cc1c([nH]c([nH]c1)=O)=O","Cc1c([nH]c([nH]c1)=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[238,3236,"L-Methionine, N-acetyl-","65-82-7","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","2826, 2918"]
[239,3477,"BENZOIC ACID","65-85-0","O=C(O)c1ccccc1","O=C(O)c1ccccc1","O=C(O)c1ccccc1","O=C(O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2021, 2818"]
[240,2594,"OROTIC ACID","65-86-1","O=C(O)c1[nH]c([nH]c(c1)=O)=O","O=C(O)c1[nH]c([nH]c(c1)=O)=O","O=C(O)c1nc(nc(c1)O)O","O=C(O)c1nc(nc(c1)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[241,4304,"3,5-DIIODOTYROSINE","66-02-4","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1703"]
[242,2290,"URACIL","66-22-8","O=c1[nH]c([nH]cc1)=O","O=c1[nH]c([nH]cc1)=O","O=c1[nH]c([nH]cc1)=O","O=c1[nH]c([nH]cc1)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[243,2796,"HEXANAL","66-25-1","CCCCCC=O","CCCCCC=O","CCCCCC=O","CCCCCC=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[244,926,"O-PHENANTHROLINE","66-71-7","c1cc2c(nc1)c3c(cc2)cccn3","c1cc2c(nc1)c3c(cc2)cccn3","c1cc2c(nc1)c3c(cc2)cccn3","c1cc2c(nc1)c3c(cc2)cccn3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[245,4000,"PYRIDOXAL","66-72-8","Cc1c(c(c(cn1)CO)C=O)O","Cc1c(c(c(cn1)CO)C=O)O","Cc1c(c(c(cn1)CO)C=O)O","Cc1c(c(c(cn1)CO)C=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"234"]
[246,1368,"CYCLOHEXIMIDE","66-81-9","CC1CC(C(C(C1)C)=O)C(O)CC2CC(NC(C2)=O)=O","CC1CC(C(C(C1)C)=O)C(O)CC2CC(NC(C2)=O)=O","CC1CC(C(C(C1)C)=O)C(O)CC2CC(NC(C2)=O)=O","CC1CC(C(C(C1)C)=O)C(O)CC2CC(NC(C2)=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[247,1847,"Thiamine Disulfide","67-16-3","CC(=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1c(nc(nc1)C)N)N(C=O)Cc2c(nc(nc2)C)N","CC(=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1c(nc(nc1)C)N)N(C=O)Cc2c(nc(nc2)C)N","CC(=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1c(nc(nc1)C)N)N(C=O)Cc2c(nc(nc2)C)N","CC(=C(CCO)SSC(CCO)=C(C)N(C=O)Cc1c(nc(nc1)C)N)N(C=O)Cc2c(nc(nc2)C)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[248,3890,"NITROFURANTOIN","67-20-9","O=C1NC(N(C1)N=Cc2oc(cc2)[N+](=O)[O-])=O","O=C1NC(N(C1)N=Cc2oc(cc2)[N+](=O)[O-])=O","O=C1NC(N(C1)N=Cc2oc(cc2)[N+](=O)[O-])=O","O=C1NC(N(C1)N=Cc2oc(cc2)[N+](=O)[O-])=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[249,3520,"Nihydrazone","67-28-7","CC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]","CC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]","CC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]","CC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[250,4361,"METHANOL","67-56-1","CO","CO","CO","CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[251,2188,"ISOPROPANOL","67-63-0","CC(C)O","CC(C)O","CC(C)O","CC(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[252,2138,"ACETONE","67-64-1","CC(C)=O","CC(C)=O","CC(C)=O","CC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[253,4376,"CHLOROFORM","67-66-3","ClC(Cl)Cl","ClC(Cl)Cl","ClC(Cl)Cl","ClC(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[254,2002,"DIMETHYL SULFOXIDE","67-68-5","CS(C)=O","CS(C)=O","CS(C)=O","CS(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[255,1896,"HEXACHLOROETHANE","67-72-1","ClC(Cl)(Cl)C(Cl)(Cl)Cl","ClC(Cl)(Cl)C(Cl)(Cl)Cl","ClC(Cl)(Cl)C(Cl)(Cl)Cl","ClC(Cl)(Cl)C(Cl)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[256,1864,"TRIAMCINOLONE DIACETATE","67-78-7","CC(=O)OCC(=O)C1(C2(C(CC1OC(C)=O)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1OC(C)=O)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1OC(C)=O)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1OC(C)=O)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[257,1016,"GLIOTOXIN","67-99-2","CN1C2(C(N3C(C1=O)(SS2)CC=4C3C(C=CC4)O)=O)CO","CN1C2(C(N3C(C1=O)(SS2)CC=4C3C(C=CC4)O)=O)CO","CN1C2(C(N3C(C1=O)(SS2)CC=4C3C(C=CC4)O)=O)CO","CN1C2(C(N3C(C1=O)(SS2)CC=4C3C(C=CC4)O)=O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[258,1967,"MERCAPTOACETIC ACID","68-11-1","O=C(O)CS","O=C(O)CS","O=C(O)CS","O=C(O)CS",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[259,2166,"N,N'-DIMETHYLFORMAMIDE","68-12-2",null,"CN(C)C=O","CN(C)C=O","CN(C)C=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[260,null,"Vitamin B 12","68-19-9",{"$nulls":3},"CC1=C2N=C(C=C3N=C(C(C)=C4C(CCC(N)=O)C(C)(CC(N)=O)C(C)(C5N=C1C(C)(CCC(=O)NCC(C)OP(=O)([O-])OC1C(CO)OC(n6cnc7cc(C)c(C)cc76)C1O)C5CC(N)=O)N4[Co+]C#N)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C2CCC(N)=O",1,0,3,"NO","NO",null,null,"Eliminate","-","Stereochemistry removed, Unusual elements"]
[261,1709,"Norethindrone","68-22-4","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)O","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)O","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)O","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[262,12,"SULFADIAZINE","68-35-9","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[263,2599,"HYPOXANTHINE","68-94-0","O=c1c2c(nc[nH]1)nc[nH]2","O=c1c2c([nH]cn1)nc[nH]2","O=c1c2c(nc[nH]1)nc[nH]2","O=c1c2c(nc[nH]1)nc[nH]2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[264,1755,"17-ALPHA-HYDROXYPROGESTERONE","68-96-2","CC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O","CC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O","CC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O","CC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[265,1792,"FLUPHENAZINE","69-23-8","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3","OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[266,415,"TUBERCIDIN","69-33-0","Nc1c2c(ncn1)n(cc2)C3C(C(C(O3)CO)O)O","Nc1c2c(ncn1)n(cc2)C3C(C(C(O3)CO)O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[267,1429,"AMPICILLIN","69-53-4","CC1(C(N2C(S1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O)C","CC1(C(N2C(S1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O)C","CC1(C(N2C(S1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O)C","CC1(C(N2C(S1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[268,2904,"MANNITOL","69-65-8","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","30, 2396"]
[269,3482,"SALICYLIC ACID","69-72-7","O=C(O)c1c(cccc1)O","O=C(O)c1c(cccc1)O","O=C(O)c1c(cccc1)O","O=C(O)c1c(cccc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"76"]
[270,691,"MALTOSE","69-79-4","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O","OCC1C(C(C(C(O1)OC2C(C(C(OC2CO)O)O)O)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","218, 3687"]
[271,2602,"XANTHINE","69-89-6","O=c1[nH]c2c(c([nH]1)=O)[nH]cn2","O=c1[nH]c2c(c([nH]1)=O)[nH]cn2","O=c1[nH]c2c(c([nH]1)=O)[nH]cn2","O=c1[nH]c2c(c([nH]1)=O)[nH]cn2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[272,2603,"URIC ACID","69-93-2","O=c1[nH]c2c(c([nH]1)=O)[nH]c(=O)[nH]2","O=c1[nH]c2c(c([nH]1)=O)[nH]c(=O)[nH]2","O=c1[nH]c2c(c([nH]1)=O)[nH]c(=O)[nH]2","O=c1[nH]c2c(c([nH]1)=O)[nH]c(=O)[nH]2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[273,1083,"HEXACHLOROPHENE","70-30-4","Oc1c(c(c(cc1Cl)Cl)Cl)Cc2c(c(cc(c2O)Cl)Cl)Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cc2c(c(cc(c2O)Cl)Cl)Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cc2c(c(cc(c2O)Cl)Cl)Cl","Oc1c(c(c(cc1Cl)Cl)Cl)Cc2c(c(cc(c2O)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[274,2967,"1-FLUORO-2,4-DINITROBENZENE","70-34-8","O=[N+]([O-])c1cc(c(cc1)F)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)F)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)F)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)F)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[275,2399,"ASPARAGINE","70-47-3","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","3809"]
[276,2348,"Butanedioic acid, mercapto-","70-49-5","O=C(O)CC(S)C(=O)O","O=C(O)CC(S)C(=O)O","O=C(O)CC(S)C(=O)O","O=C(O)CC(S)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[277,1866,"Deferoxamine","70-51-9","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[278,3608,"4-METHYLBENZENESULFONAMIDE","70-55-3","Cc1ccc(cc1)S(N)(=O)=O","Cc1ccc(cc1)S(N)(=O)=O","Cc1ccc(cc1)S(N)(=O)=O","Cc1ccc(cc1)S(N)(=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[279,4062,"1-Propanone, 1-(4-aminophenyl)-","70-69-9","CCC(=O)c1ccc(cc1)N","CCC(=O)c1ccc(cc1)N","CCC(=O)c1ccc(cc1)N","CCC(=O)c1ccc(cc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[280,4032,"P-HYDROXYPROPIOPHENONE","70-70-2","CCC(=O)c1ccc(cc1)O","CCC(=O)c1ccc(cc1)O","CCC(=O)c1ccc(cc1)O","CCC(=O)c1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[281,3156,"HISTIDINE","71-00-1","NC(Cc1nc[nH]c1)C(=O)O","NC(Cc1[nH]cnc1)C(=O)O","NC(Cc1[nH]cnc1)C(=O)O","NC(Cc1[nH]cnc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[282,2187,"1-PROPANOL","71-23-8","CCCO","CCCO","CCCO","CCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[283,2309,"CYTOSINE","71-30-7","Nc1nc([nH]cc1)=O","Nc1[nH]c(ncc1)=O","Nc1nc([nH]cc1)=O","Nc1nc([nH]cc1)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[284,2224,"1-BUTANOL","71-36-3","CCCCO","CCCCO","CCCCO","CCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[285,2553,"1-PENTANOL","71-41-0","CCCCCO","CCCCCO","CCCCCO","CCCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[286,3065,"BENZENE","71-43-2","c1ccccc1","c1ccccc1","c1ccccc1","c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[287,1934,"1,1,1-TRICHLOROETHANE","71-55-6","CC(Cl)(Cl)Cl","CC(Cl)(Cl)Cl","CC(Cl)(Cl)Cl","CC(Cl)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"4395"]
[288,2211,"DIGITOXIN","71-63-6","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(CC6)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(CC6)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(CC6)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CC5C(CC4)(C6C(CC5)C7(C(CC6)(C)C(C=8COC(C8)=O)CC7)O)C)C)C)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[289,4309,"SULFATHIAZOLE","72-14-0","Nc1ccc(cc1)S(=O)(=O)Nc2sccn2","Nc1ccc(cc1)S(=O)(=O)Nc2sccn2","Nc1ccc(cc1)S(=O)(=O)Nc2sccn2","Nc1ccc(cc1)S(=O)(=O)Nc2sccn2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[290,2148,"Sodium Lactate","72-17-3","CC(O)C(=O)O","CC(O)C(=O)O","CC(O)C(=O)O","CC(O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"10, 2354"]
[291,2527,"VALINE","72-18-4","CC(C)C(N)C(=O)O","CC(C)C(N)C(=O)O",null,"CC(C)C(N)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","1973"]
[292,2457,"threonine(l)","72-19-5",null,"CC(O)C(N)C(=O)O",null,"CC(O)C(N)C(=O)O",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed, Name verified in PubChem","499, 1606"]
[293,924,"ENDRIN","72-20-8","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4C5C(C3C4)O5)Cl",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","192"]
[294,1412,"METHOXYCHLOR","72-43-5","COc1ccc(cc1)C(c2ccc(cc2)OC)C(Cl)(Cl)Cl","COc1ccc(cc1)C(c2ccc(cc2)OC)C(Cl)(Cl)Cl","COc1ccc(cc1)C(c2ccc(cc2)OC)C(Cl)(Cl)Cl",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[295,1248,"ALIZARINE","72-48-0","O=C1c2c(C(c3c1cccc3)=O)c(c(cc2)O)O","O=C1c2c(C(c3c1cccc3)=O)c(c(cc2)O)O","O=C1c2c(C(c3c1cccc3)=O)c(c(cc2)O)O","O=C1c2c(C(c3c1cccc3)=O)c(c(cc2)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[296,1100,"P,P'-DDD","72-54-8","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)Cl","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)Cl","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)Cl","Clc1ccc(cc1)C(c2ccc(cc2)Cl)C(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[297,1241,"P,P'-DDE","72-55-9","ClC(Cl)=C(c1ccc(cc1)Cl)c2ccc(cc2)Cl","ClC(Cl)=C(c1ccc(cc1)Cl)c2ccc(cc2)Cl","ClC(Cl)=C(c1ccc(cc1)Cl)c2ccc(cc2)Cl","ClC(Cl)=C(c1ccc(cc1)Cl)c2ccc(cc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[298,4580,"1,1-dichloro-2,2-bis(ethylphenyl)ethane","72-56-0","CCc1c(cccc1)C(c2c(cccc2)CC)C(Cl)Cl","CCc1ccc(cc1)C(c2ccc(cc2)CC)C(Cl)Cl",null,"CCc1ccc(cc1)C(c2ccc(cc2)CC)C(Cl)Cl",2,1,1,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[299,378,"TRYPTOPHAN","73-22-3","NC(Cc1c2c([nH]c1)cccc2)C(=O)O","NC(Cc1c2c([nH]c1)cccc2)C(=O)O","NC(Cc1c2c([nH]c1)cccc2)C(=O)O","NC(Cc1c2c([nH]c1)cccc2)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[300,2617,"ADENINE","73-24-5","Nc1c2c(ncn1)nc[nH]2","Nc1c2c(ncn1)nc[nH]2","Nc1c2c(ncn1)[nH]cn2","Nc1c2c(ncn1)[nH]cn2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[301,2848,"ISO-LEUCINE","73-32-5","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1724, 1789, 3806, 3328"]
[302,2619,"GUANINE","73-40-5","Nc1[nH]c(c2c(n1)nc[nH]2)=O","Nc1[nH]c2c(c(n1)=O)[nH]cn2","Nc1[nH]c(c2c(n1)[nH]cn2)=O","Nc1[nH]c(c2c(n1)[nH]cn2)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[303,1300,"BENDROFLUMETHIAZIDE","73-48-3","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)Cc3ccccc3)(=O)=O)C(F)(F)F","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)Cc3ccccc3)(=O)=O)C(F)(F)F","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)Cc3ccccc3)(=O)=O)C(F)(F)F","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)Cc3ccccc3)(=O)=O)C(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[304,53,"Quinethazone","73-49-4","CCC1Nc2c(C(N1)=O)cc(S(N)(=O)=O)c(Cl)c2","CCC1Nc2c(C(N1)=O)cc(S(N)(=O)=O)c(Cl)c2","CCC1Nc2c(C(N1)=O)cc(S(N)(=O)=O)c(Cl)c2","CCC1Nc2c(C(N1)=O)cc(S(N)(=O)=O)c(Cl)c2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[305,3396,"4-CHLOROBENZOIC ACID","74-11-3","O=C(O)c1ccc(cc1)Cl","O=C(O)c1ccc(cc1)Cl","O=C(O)c1ccc(cc1)Cl","O=C(O)c1ccc(cc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[306,2870,"ARGININE","74-79-3","N=C(N)NCCCC(N)C(=O)O","NC(N)=NCCCC(N)C(=O)O","N=C(N)NCCCC(N)C(=O)O","N=C(N)NCCCC(N)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[307,4355,"METHANE","74-82-8","C","C","C","C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[308,4344,"METHYL BROMIDE","74-83-9","CBr","CBr","CBr",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[309,1990,"ETHANE","74-84-0","CC","CC","CC","CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[310,1945,"ETHYLENE","74-85-1","C=C","C=C","C=C","C=C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[311,1900,"ACETYLENE","74-86-2","C#C","C#C","C#C","C#C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[312,4345,"METHYL CHLORIDE","74-87-3","CCl","CCl","CCl","CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[313,4351,"METHYL IODIDE","74-88-4","CI","CI","CI","CI",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[314,4365,"METHYLAMINE","74-89-5","CN","CN","CN","CN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[315,4380,"HYDROCYANIC ACID","74-90-8","C#N","C#N","C#N","C#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[316,4364,"METHANETHIOL","74-93-1","CS","CS","CS","CS",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[317,4335,"DIBROMOMETHANE","74-95-3","BrCBr","BrCBr","BrCBr","BrCBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[318,1970,"BROMOETHANE","74-96-4","CCBr","CCBr","CCBr","CCBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[319,4336,"CHLOROBROMOMETHANE","74-97-5","ClCBr","ClCBr","ClCBr","ClCBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[320,2180,"PROPANE","74-98-6","CCC","CCC","CCC","CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[321,2060,"PROPYNE","74-99-7","C#CC","C#CC","C#CC","C#CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[322,1972,"CHLOROETHANE","75-00-3","CCCl","CCCl","CCCl","CCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[323,1930,"VINYLCHLORIDE","75-01-4","C=CCl","C=CCl","C=CCl","C=CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[324,1976,"IODOETHANE","75-03-6","CCI","CCI","CCI","CCI",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[325,2007,"ETHYLAMINE","75-04-7","CCN","CCN","CCN","CCN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[326,1942,"ACETONITRILE","75-05-8","CC#N","CC#N","CC#N","CC#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[327,1963,"ACETALDEHYDE","75-07-0","CC=O","CC=O","CC=O","CC=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[328,2004,"ETHYL MERCAPTAN","75-08-1","CCS","CCS","CCS","CCS",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[329,4337,"DICHLOROMETHANE","75-09-2","ClCCl","ClCCl","ClCCl","ClCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[330,4340,"METHYLENE IODIDE","75-11-6","ICI","ICI","ICI","ICI",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[331,4353,"FORMAMIDE","75-12-7","NC=O","NC=O","NC=O","NC=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[332,4386,"CARBON DISULFIDE","75-15-0","S=C=S","S=C=S","S=C=S","S=C=S",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[333,null,"formamideoxime","75-17-2","NC=NO","C=NO",null,"C=NO",2,1,1,"NO","NO",2,1,"Eliminate","-","Manual Check failed"]
[334,2005,"DIMETHYLSULFIDE","75-18-3","CSC","CSC","CSC","CSC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[335,2108,"CYCLOPROPANE","75-19-4","C1CC1","C1CC1","C1CC1","C1CC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[336,1964,"ETHYLENE OXIDE","75-21-8","C1OC1","C1OC1","C1OC1","C1OC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[337,4373,"BROMOFORM","75-25-2","BrC(Br)Br","BrC(Br)Br","BrC(Br)Br","BrC(Br)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[338,2153,"2-BROMOPROPANE","75-26-3","CC(C)Br","CC(C)Br","CC(C)Br","CC(C)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[339,4374,"BROMODICHLOROMETHANE","75-27-4","ClC(Cl)Br","ClC(Cl)Br","ClC(Cl)Br","ClC(Cl)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[340,2217,"2-METHYLPROPANE","75-28-5","CC(C)C","CC(C)C","CC(C)C","CC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[341,2156,"2-CHLOROPROPANE","75-29-6","CC(C)Cl","CC(C)Cl","CC(C)Cl","CC(C)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[342,2160,"2-IODOPROPANE","75-30-9","CC(C)I","CC(C)I","CC(C)I","CC(C)I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[343,2197,"ISOPROPYLAMINE","75-31-0","CC(C)N","CC(C)N","CC(C)N","CC(C)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[344,1950,"1,1-DICHLOROETHANE","75-34-3","CC(Cl)Cl","CC(Cl)Cl","CC(Cl)Cl","CC(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[345,1906,"1,1-DICHLOROETHENE","75-35-4","C=C(Cl)Cl","C=C(Cl)Cl","C=C(Cl)Cl","C=C(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[346,1957,"1,1-DIFLUOROETHANE","75-37-6","CC(F)F","CC(F)F","CC(F)F","CC(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[347,1916,"1,1-DIFLUOROETHENE","75-38-7","C=C(F)F","C=C(F)F","C=C(F)F","C=C(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[348,4375,"DICHLOROFLUOROMETHANE","75-43-4","FC(Cl)Cl","FC(Cl)Cl","FC(Cl)Cl","FC(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[349,4377,"CHLORODIFLUOROMETHANE","75-45-6","FC(F)Cl","FC(F)Cl","FC(F)Cl","FC(F)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[350,4378,"TRIFLUOROMETHANE","75-46-7","FC(F)F","FC(F)F","FC(F)F","FC(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[351,4379,"IODOFORM","75-47-8","IC(I)I","IC(I)I","IC(I)I","IC(I)I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[352,2198,"TRIMETHYLAMINE","75-50-3","CN(C)C","CN(C)C","CN(C)C","CN(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[353,4354,"NITROMETHANE","75-52-5","C[N+](=O)[O-]","C[N+](=O)[O-]","C[N+](=O)[O-]","C[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[354,2162,"2-METHYLAZIRIDINE","75-55-8","CC1NC1","CC1NC1","CC1NC1","CC1NC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[355,2139,"PROPYLENE OXIDE","75-56-9","CC1OC1","CC1OC1","CC1OC1","CC1OC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[356,null,"CACODYLIC ACID","75-60-5","C[As](C)(=O)O","C[As](C)(=O)O","C[As](C)(=O)O","C[As](C)(=O)O",4,0,0,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[357,4325,"BROMOTRIFLUOROMETHANE","75-63-8","FC(F)(F)Br","FC(F)(F)Br","FC(F)(F)Br","FC(F)(F)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[358,2255,"T-BUTYLAMINE","75-64-9","CC(C)(C)N","CC(C)(C)N","CC(C)(C)N","CC(C)(C)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[359,2230,"T-BUTANOL","75-65-0","CC(C)(C)O","CC(C)(C)O","CC(C)(C)O","CC(C)(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[360,1938,"1-CHLORO-1,1-DIFLUOROETHANE","75-68-3","CC(F)(F)Cl","CC(F)(F)Cl","CC(F)(F)Cl","CC(F)(F)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[361,4328,"TRICHLOROFLUOROMETHANE","75-69-4","FC(Cl)(Cl)Cl","FC(Cl)(Cl)Cl","FC(Cl)(Cl)Cl","FC(Cl)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[362,4327,"DICHLORODIFLUOROMETHANE","75-71-8","FC(F)(Cl)Cl","FC(F)(Cl)Cl","FC(F)(Cl)Cl","FC(F)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[363,4331,"CHLOROTRIFLUOROMETHANE","75-72-9","FC(F)(F)Cl","FC(F)(F)Cl","FC(F)(F)Cl","FC(F)(F)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[364,4334,"TETRAFLUOROMETHANE","75-73-0","FC(F)(F)F","FC(F)(F)F","FC(F)(F)F","FC(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[365,4362,"METHANESULFONIC ACID","75-75-2","CS(=O)(=O)O","CS(=O)(=O)O","CS(=O)(=O)O","CS(=O)(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[366,null,"TETRAMETHYLSILANE","75-76-3","C[Si](C)(C)C","C[Si](C)(C)C","C[Si](C)(C)C","C[Si](C)(C)C",4,0,0,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[367,1927,"ETHANOL, 2,2,2-TRIBROMO-","75-80-9","OCC(Br)(Br)Br","OCC(Br)(Br)Br","OCC(Br)(Br)Br","OCC(Br)(Br)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[368,2861,"2,2-DIMETHYLBUTANE","75-83-2","CCC(C)(C)C","CCC(C)(C)C","CCC(C)(C)C","CCC(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[369,2565,"2,2-DIMETHYL-1-PROPANOL","75-84-3","CC(C)(C)CO","CC(C)(C)CO","CC(C)(C)CO","CC(C)(C)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[370,2561,"2-METHYL-2-BUTANOL","75-85-4","CCC(C)(C)O","CCC(C)(C)O","CCC(C)(C)O","CCC(C)(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[371,2369,"ACETONE CYANOHYDRIN","75-86-5","CC(C)(O)C#N","CC(C)(O)C#N","CC(C)(O)C#N","CC(C)(O)C#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[372,2024,"TRICHLOROACETALDEHYDE","75-87-6","O=CC(Cl)(Cl)Cl","O=CC(Cl)(Cl)Cl","O=CC(Cl)(Cl)Cl","O=CC(Cl)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[373,1913,"1,1,1-TRIFLUORO-2-CHLOROETHANE","75-88-7","FC(F)(F)CCl","FC(F)(F)CCl","FC(F)(F)CCl","FC(F)(F)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[374,1940,"2,2,2-TRIFLUOROETHANOL","75-89-8","OCC(F)(F)F","OCC(F)(F)F","OCC(F)(F)F","OCC(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[375,2019,"Acetic acid, tribromo-","75-96-7","O=C(O)C(Br)(Br)Br","O=C(O)C(Br)(Br)Br","O=C(O)C(Br)(Br)Br","O=C(O)C(Br)(Br)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[376,2806,"3,3-DIMETHYL-2-BUTANONE","75-97-8","CC(=O)C(C)(C)C","CC(=O)C(C)(C)C","CC(=O)C(C)(C)C","CC(=O)C(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[377,2503,"2,2-Dimethyl propanoic acid","75-98-9","CC(C)(C)C(=O)O","CC(C)(C)C(=O)O","CC(C)(C)C(=O)O","CC(C)(C)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[378,2064,"DALAPON","75-99-0","CC(Cl)(Cl)C(=O)O","CC(Cl)(Cl)C(=O)O","CC(Cl)(Cl)C(=O)O","CC(Cl)(Cl)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[379,2092,"1,1,1-Trichloro-2-propanol","76-00-6","CC(O)C(Cl)(Cl)Cl","CC(O)C(Cl)(Cl)Cl",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[380,2026,"PENTACHLOROETHANE","76-01-7","ClC(Cl)C(Cl)(Cl)Cl","ClC(Cl)C(Cl)(Cl)Cl","ClC(Cl)C(Cl)(Cl)Cl","ClC(Cl)C(Cl)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[381,2025,"TRICHLOROACETIC ACID","76-03-9","O=C(O)C(Cl)(Cl)Cl","O=C(O)C(Cl)(Cl)Cl","O=C(O)C(Cl)(Cl)Cl","O=C(O)C(Cl)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[382,2027,"Acetic acid, chlorodifluoro-","76-04-0","O=C(O)C(F)(F)Cl","O=C(O)C(F)(F)Cl","O=C(O)C(F)(F)Cl","O=C(O)C(F)(F)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[383,2029,"TRIFLUOROACETIC ACID","76-05-1","O=C(O)C(F)(F)F","O=C(O)C(F)(F)F","O=C(O)C(F)(F)F","O=C(O)C(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[384,4329,"TRICHLORONITROMETHANE","76-06-2","O=[N+]([O-])C(Cl)(Cl)Cl","O=[N+]([O-])C(Cl)(Cl)Cl","O=[N+]([O-])C(Cl)(Cl)Cl","O=[N+]([O-])C(Cl)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[385,1894,"1,1,1,2-TETRACHLORO-2,2-DIFLUOROETHANE","76-11-9","FC(F)(Cl)C(Cl)(Cl)Cl","FC(F)(Cl)C(Cl)(Cl)Cl","FC(F)(Cl)C(Cl)(Cl)Cl","FC(F)(Cl)C(Cl)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[386,1895,"1,1,2,2,-TETRACHLORODIFLUOROETHANE","76-12-0",null,"FC(Cl)(Cl)C(F)(Cl)Cl","FC(Cl)(Cl)C(F)(Cl)Cl","FC(Cl)(Cl)C(F)(Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[387,1892,"1,1,2-TRICHLOROTRIFLUOROETHANE","76-13-1","FC(F)(Cl)C(F)(Cl)Cl","FC(F)(Cl)C(F)(Cl)Cl","FC(F)(Cl)C(F)(Cl)Cl","FC(F)(Cl)C(F)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[388,1891,"1,2-DICHLOROTETRAFLUOROETHANE","76-14-2","FC(F)(Cl)C(F)(F)Cl","FC(F)(Cl)C(F)(F)Cl","FC(F)(Cl)C(F)(F)Cl","FC(F)(Cl)C(F)(F)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[389,1897,"CHLOROPENTAFLUOROETHANE","76-15-3","FC(F)(F)C(F)(F)Cl","FC(F)(F)C(F)(F)Cl","FC(F)(F)C(F)(F)Cl","FC(F)(F)C(F)(F)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[390,1899,"HEXAFLUOROETHANE","76-16-4","FC(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[391,2045,"OCTAFLUOROPROPANE","76-19-7","FC(F)(F)C(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)C(F)(F)F","FC(F)(F)C(F)(F)C(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[392,3827,"TRIONAL","76-20-0","CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[393,169,"CAMPHOR","76-22-2","CC12C(CC(CC1)C2(C)C)=O","CC12C(CC(CC1)C2(C)C)=O","CC12C(CC(CC1)C2(C)C)=O","CC12C(CC(CC1)C2(C)C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1815"]
[394,3891,"alloxantin","76-24-4","O=C1NC(C(C(N1)=O)(O)C2(C(NC(NC2=O)=O)=O)O)=O","O=C1NC(C(C(N1)=O)(O)C2(C(NC(NC2=O)=O)=O)O)=O","NC(=O)NC1C(NC(N1)=O)=O","O=C1NC(C(C(N1)=O)(O)C2(C(NC(NC2=O)=O)=O)O)=O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[395,1844,"TRIAMCINOLONE ACETONIDE","76-25-5","CC1(OC2(C(O1)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C)C(=O)CO)C","CC1(OC2(C(O1)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C)C(=O)CO)C","CC1(OC2(C(O1)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C)C(=O)CO)C","CC1(OC2(C(O1)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C)C(=O)CO)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[396,2063,"METHOXYFLURANE","76-38-0","COC(F)(F)C(Cl)Cl","COC(F)(F)C(Cl)Cl","COC(F)(F)C(Cl)Cl","COC(F)(F)C(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[397,2461,"2-METHYL-2-NITRO-1-PROPANOL","76-39-1","CC(C)(CO)[N+](=O)[O-]","CC(C)(CO)[N+](=O)[O-]","CC(C)(CO)[N+](=O)[O-]","CC(C)(CO)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[398,2362,"2,2,3-TRICHLORO-1,1-BUTANEDIOL","76-40-4","CC(Cl)C(Cl)(Cl)C(O)O","CC(Cl)C(Cl)(Cl)C(O)O","CC(Cl)C(Cl)(Cl)C(O)O","CC(Cl)C(Cl)(Cl)C(O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[399,261,"HEPTACHLOR","76-44-8","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C=C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C=C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C=C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C=C3)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[400,1562,"CODEINE","76-57-3","COc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O","COc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O","COc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O","COc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[401,1644,"DIONINE","76-58-4","CCOc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O","CCOc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O","CCOc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O","CCOc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[402,465,"PENTOBARBITAL","76-74-4","CCCC(C)C1(C(NC(NC1=O)=O)=O)CC","CCCC(C)C1(C(NC(NC1=O)=O)=O)CC","CCCC(C)C1(C(NC(=NC1=O)O)=O)CC","CCCC(C)C1(C(NC(=NC1=O)O)=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[403,4124,"PROBARBITAL","76-76-6","CCC1(C(NC(NC1=O)=O)=O)C(C)C","CCC1(C(NC(NC1=O)=O)=O)C(C)C","CCC1(C(NC(NC1=O)=O)=O)C(C)C","CCC1(C(NC(NC1=O)=O)=O)C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[404,4588,"benzenemethanol,4-amino-.alpha.,.alpha.-bis(4-a","76-82-4",null,"Cc1c(ccc(c1)C(O)(c2ccc(cc2)N)c3ccc(cc3)N)N",null,"Cc1c(ccc(c1)C(O)(c2ccc(cc2)N)c3ccc(cc3)N)N",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[405,1621,"TRIPHENYLCARBINOL","76-84-6","OC(c1ccccc1)(c2ccccc2)c3ccccc3","OC(c1ccccc1)(c2ccccc2)c3ccccc3","OC(c1ccccc1)(c2ccccc2)c3ccccc3","OC(c1ccccc1)(c2ccccc2)c3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[406,null,"TRIPHENYLTIN HYDROXIDE","76-87-9","c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1",null,"O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3","O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3",2,1,1,"NO","YES",null,null,"Eliminate","-","Unusual elements, Missing/ambiguous"]
[407,1133,"BENZILIC ACID","76-93-7","O=C(O)C(O)(c1ccccc1)c2ccccc2","O=C(O)C(O)(c1ccccc1)c2ccccc2","O=C(O)C(O)(c1ccccc1)c2ccccc2","O=C(O)C(O)(c1ccccc1)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[408,4425,"barbituricacid,5-me-5-phenyl-","76-94-8",null,"CC1(C(NC(NC1=O)=O)=O)c2ccccc2",null,"CC1(C(NC(NC1=O)=O)=O)c2ccccc2",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[409,122,"APROBARBITAL","77-02-1","C=CCC1(C(NC(NC1=O)=O)=O)C(C)C","C=CCC1(C(NC(NC1=O)=O)=O)C(C)C","C=CCC1(C(NC(NC1=O)=O)=O)C(C)C","C=CCC1(C(NC(NC1=O)=O)=O)C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[410,1641,"GIBBERELLIC ACID","77-06-5","C=C1C2(CC3(C1)C(CC2)C45OC(C(C(C=C4)O)(C)C5C3C(=O)O)=O)O","C=C1C2(CC3(C1)C(CC2)C45OC(C(C(C=C4)O)(C)C5C3C(=O)O)=O)O","C=C1C2(CC3(C1)C(CC2)C45OC(C(C(C=C4)O)(C)C5C3C(=O)O)=O)O","C=C1C2(CC3(C1)C(CC2)C45OC(C(C(C=C4)O)(C)C5C3C(=O)O)=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[411,1683,"PHENOLPHTHALEIN","77-09-8","O=C1c2c(C(O1)(c3ccc(cc3)O)c4ccc(cc4)O)cccc2","O=C1c2c(C(O1)(c3ccc(cc3)O)c4ccc(cc4)O)cccc2","O=C1c2c(C(O1)(c3ccc(cc3)O)c4ccc(cc4)O)cccc2","O=C1c2c(C(O1)(c3ccc(cc3)O)c4ccc(cc4)O)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[412,4510,"2-ethyl-2-phenylgluterimide","77-21-4",null,"CCC1(C(NC(CC1)=O)=O)c2ccccc2",null,"CCC1(C(NC(CC1)=O)=O)c2ccccc2",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[413,447,"Butalbital","77-26-9","C=CCC1(C(NC(NC1=O)=O)=O)CC(C)C","C=CCC1(C(NC(NC1=O)=O)=O)CC(C)C","C=CCC1(C(NC(NC1=O)=O)=O)CC(C)C","C=CCC1(C(NC(NC1=O)=O)=O)CC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[414,672,"THIAMYLAL","77-27-0","C=CCC1(C(NC(NC1=O)=S)=O)C(C)CCC","C=CCC1(C(NC(NC1=O)=S)=O)C(C)CCC","C=CCC1(C(NC(NC1=O)=S)=O)C(C)CCC","C=CCC1(C(NC(NC1=O)=S)=O)C(C)CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[415,158,"5-BUTYL-5-ETHYLBARBITURIC ACID","77-28-1","CCCCC1(C(NC(NC1=O)=O)=O)CC","CCCCC1(C(NC(NC1=O)=O)=O)CC","CCCCC1(C(NC(NC1=O)=O)=O)CC","CCCCC1(C(NC(NC1=O)=O)=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[416,1113,"Chlorthalidone","77-36-1","NS(=O)(=O)c1c(ccc(c1)C2(c3c(C(N2)=O)cccc3)O)Cl","NS(=O)(=O)c1c(ccc(c1)C2(c3c(C(N2)=O)cccc3)O)Cl","NS(=O)(=O)c1c(ccc(c1)C2(c3c(C(N2)=O)cccc3)O)Cl","NS(=O)(=O)c1c(ccc(c1)C2(c3c(C(N2)=O)cccc3)O)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[417,2467,"HEXACHLOROCYCLOPENTADIENE","77-47-4","ClC=1C(=C(C(C1Cl)(Cl)Cl)Cl)Cl","ClC=1C(=C(C(C1Cl)(Cl)Cl)Cl)Cl","ClC=1C(=C(C(C1Cl)(Cl)Cl)Cl)Cl","ClC=1C(=C(C(C1Cl)(Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[418,2464,"2-METHYL-2-NITROPROPANE-1,3-DIOL","77-49-6","CC(CO)(CO)[N+](=O)[O-]","CC(CO)(CO)[N+](=O)[O-]","CC(CO)(CO)[N+](=O)[O-]","CC(CO)(CO)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[419,3229,"CARBROMAL","77-65-6","CCC(Br)(CC)C(=O)NC(N)=O","CCC(Br)(CC)C(=O)NC(N)=O","CCC(Br)(CC)C(=O)NC(N)=O","CCC(Br)(CC)C(=O)NC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[420,2661,"2,4-IMIDAZOLIDINEDIONE, 5,5-DIMETHYL-","77-71-4","CC1(C(NC(N1)=O)=O)C","CC1(C(NC(N1)=O)=O)C","CC1(C(NC(N1)=O)=O)C","CC1(C(NC(N1)=O)=O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[421,2883,"3-METHYL-3-PENTANOL","77-74-7","CCC(C)(O)CC","CCC(C)(O)CC","CCC(C)(O)CC","CCC(C)(O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[422,2718,"methylpentynol","77-75-8","CCC(C)C#CO","C#CC(C)(O)CC","C#CC(C)(O)CC","C#CC(C)(O)CC",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[423,2000,"DIMETHYLSULFATE","77-78-1","COS(=O)(=O)OC","COS(=O)(=O)OC","COS(=O)(=O)OC","COS(=O)(=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[424,2521,"TABUN","77-81-6","CCOP(=O)(C#N)N(C)C","CCOP(=O)(C#N)N(C)C","CCOP(=O)(C#N)N(C)C","CCOP(=O)(C#N)N(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[425,2262,"AMINOTRIS(HYDROXYMETHYL)METHANE","77-86-1","NC(CO)(CO)CO","NC(CO)(CO)CO","NC(CO)(CO)CO","NC(CO)(CO)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[426,1721,"ACETYL TRIBUTYL CITRATE","77-90-7","CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC","CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC","CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC","CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[427,3149,"CITRIC ACID","77-92-9","O=C(O)CC(O)(CC(=O)O)C(=O)O","O=C(O)CC(O)(CC(=O)O)C(=O)O","O=C(O)CC(O)(CC(=O)O)C(=O)O","O=C(O)CC(O)(CC(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2719, 3682"]
[428,685,"TRIETHYL CITRATE","77-93-0","CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC","CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC","CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC","CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[429,3227,"Quinic acid","77-95-2","O=C(O)C1(CC(C(C(C1)O)O)O)O","O=C(O)C1(CC(C(C(C1)O)O)O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[430,2899,"1,1,1-TRIS(HYDROXYMETHYL)PROPANE","77-99-6","CCC(CO)(CO)CO","CCC(CO)(CO)CO","CCC(CO)(CO)CO","CCC(CO)(CO)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[431,2666,"pentaerythritoltetranitrate","78-11-5","OCC(CO)(CO)CO","O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[432,3293,"3-pentanol,3-methyl-,carbamate","78-28-4","CCC(C)(O)CC","CCC(C)(CC)OC(N)=O","CCC(C)(CC)OC(N)=O","CCC(C)(CC)OC(N)=O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[433,1737,"TRI-P-CRESYL PHOSPHATE","78-32-0","Cc1ccc(cc1)OP(=O)(Oc2ccc(cc2)C)Oc3ccc(cc3)C","Cc1ccc(cc1)OP(=O)(Oc2ccc(cc2)C)Oc3ccc(cc3)C",null,"Cc1ccc(cc1)OP(=O)(Oc2ccc(cc2)C)Oc3ccc(cc3)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[434,2922,"TRIETHYL PHOSPHATE","78-40-0","CCOP(=O)(OCC)OCC","CCOP(=O)(OCC)OCC","CCOP(=O)(OCC)OCC","CCOP(=O)(OCC)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[435,707,"Carisoprodol","78-44-4","CCCC(C)(COC(N)=O)COC(=O)NC(C)C","CCCC(C)(COC(N)=O)COC(=O)NC(C)C","CCCC(C)(COC(N)=O)COC(=O)NC(C)C","CCCC(C)(COC(N)=O)COC(=O)NC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[436,721,"DIBUTYL BUTYLPHOSPHONATE","78-46-6","CCCCOP(=O)(CCCC)OCCCC","CCCCOP(=O)(CCCC)OCCCC","CCCCOP(=O)(CCCC)OCCCC","CCCCOP(=O)(CCCC)OCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[437,724,"TRIBUFOS","78-48-8","CCCCSP(=O)(SCCCC)SCCCC","CCCCSP(=O)(SCCCC)SCCCC","CCCCSP(=O)(SCCCC)SCCCC","CCCCSP(=O)(SCCCC)SCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[438,1600,"TRI-2-BUTOXYETHYL PHOSPHATE","78-51-3",null,"CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC","CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC","CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[439,2793,"MENAZON","78-57-9","COP(=S)(OC)SCc1nc(nc(n1)N)N","COP(=S)(OC)SCc1nc(nc(n1)N)N","COP(=S)(OC)SCc1nc(nc(n1)N)N","COP(=S)(OC)SCc1nc(nc(n1)N)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[440,4126,"ISOPHORONE","78-59-1","CC=1CC(CC(C1)=O)(C)C","CC=1CC(CC(C1)=O)(C)C","CC=1CC(CC(C1)=O)(C)C","CC=1CC(CC(C1)=O)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[441,3698,"2,2'-Azobis(2-methylpropionitrile)","78-67-1","CC(C)(C#N)N=NC(C)(C)C#N","CC(C)(C#N)N=NC(C)(C)C#N","CC(C)(C#N)N=NC(C)(C)C#N","CC(C)(C#N)N=NC(C)(C)C#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[442,186,"LINALOOL","78-70-6","C=CC(C)(O)CCC=C(C)C","C=CC(C)(O)CCC=C(C)C","C=CC(C)(O)CCC=C(C)C","C=CC(C)(O)CCC=C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[443,1926,"Ethane, 1,1,2-tribromo-","78-74-0","BrCC(Br)Br","BrCC(Br)Br","BrCC(Br)Br","BrCC(Br)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[444,2110,"1,2-DIBROMOPROPANE","78-75-1","CC(Br)CBr","CC(Br)CBr","CC(Br)CBr","CC(Br)CBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[445,2429,"ISOBUTYL BROMIDE","78-77-3","CC(C)CBr","CC(C)CBr","CC(C)CBr","CC(C)CBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[446,2541,"ISOPENTANE","78-78-4","CCC(C)C","CCC(C)C","CCC(C)C","CCC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[447,2657,"2-METHYL-1,3-BUTADIENE","78-79-5","C=CC(=C)C","C=CC(=C)C","C=CC(=C)C","C=CC(=C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[448,2254,"ISOBUTYLAMINE","78-81-9","CC(C)CN","CC(C)CN","CC(C)CN","CC(C)CN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[449,2228,"ISOBUTYL ALCOHOL","78-83-1","CC(C)CO","CC(C)CO","CC(C)CO","CC(C)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[450,2410,"ISOBUTYRALDEHYDE","78-84-2","CC(C)C=O","CC(C)C=O","CC(C)C=O","CC(C)C=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1959"]
[451,2332,"METHACROLEIN","78-85-3","C=C(C)C=O","C=C(C)C=O","C=C(C)C=O","C=C(C)C=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[452,2432,"2-CHLOROBUTANE","78-86-4","CCC(C)Cl","CCC(C)Cl","CCC(C)Cl","CCC(C)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[453,2117,"1,2-DICHLOROPROPANE","78-87-5","CC(Cl)CCl","CC(Cl)CCl","CC(Cl)CCl","CC(Cl)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[454,2061,"2,3-DICHLOROPROPENE","78-88-6","C=C(Cl)CCl","C=C(Cl)CCl","C=C(Cl)CCl","C=C(Cl)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2180"]
[455,2225,"2-BUTANOL","78-92-2","CCC(C)O","CCC(C)O","CCC(C)O","CCC(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"4082"]
[456,2408,"2-BUTANONE","78-93-3","CCC(C)=O","CCC(C)=O","CCC(C)=O","CCC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[457,2093,"CHLOROACETONE","78-95-5","CC(=O)CCl","CC(=O)CCl","CC(=O)CCl","CC(=O)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[458,2200,"1-AMINO-2-PROPANOL","78-96-6","CC(O)CN","CC(O)CN","CC(O)CN","CC(O)CN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[459,2116,"1,1-Dichloropropane","78-99-9","CCC(Cl)Cl","CCC(Cl)Cl","CCC(Cl)Cl","CCC(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"4425"]
[460,1935,"1,1,2-TRICHLOROETHANE","79-00-5","ClCC(Cl)Cl","ClCC(Cl)Cl","ClCC(Cl)Cl","ClCC(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[461,2023,"TRICHLOROETHENE","79-01-6","ClC=C(Cl)Cl","ClC=C(Cl)Cl","ClC=C(Cl)Cl","ClC=C(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[462,2104,"ACRYLAMIDE","79-06-1","C=CC(N)=O","C=CC(N)=O","C=CC(N)=O","C=CC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[463,1955,"CHLOROACETAMIDE","79-07-2","NC(=O)CCl","NC(=O)CCl","NC(=O)CCl","NC(=O)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[464,1929,"BROMOACETIC ACID","79-08-3","O=C(O)CBr","O=C(O)CBr","O=C(O)CBr","O=C(O)CBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[465,2141,"PROPIONIC ACID","79-09-4","CCC(=O)O","CCC(=O)O","CCC(=O)O","CCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1533, 2165"]
[466,2077,"ACRYLIC ACID","79-10-7","C=CC(=O)O","C=CC(=O)O","C=CC(=O)O","C=CC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[467,1939,"CHLOROACETIC ACID","79-11-8","O=C(O)CCl","O=C(O)CCl","O=C(O)CCl","O=C(O)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[468,2165,"N-METHYLACETAMIDE","79-16-3","CNC(C)=O","CNC(C)=O","CNC(C)=O","CNC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[469,4367,"THIOSEMICARBAZIDE","79-19-6","NNC(N)=S","NNC(N)=S","NNC(N)=S","NNC(N)=S",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[470,2144,"METHYL ACETATE","79-20-9","COC(C)=O","COC(C)=O","COC(C)=O","COC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[471,1968,"PEROXYACETIC ACID","79-21-0","CC(=O)OO","CC(=O)OO","CC(=O)OO","CC(=O)OO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[472,1984,"NITROETHANE","79-24-3","CC[N+](=O)[O-]","CC[N+](=O)[O-]","CC[N+](=O)[O-]","CC[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[473,1905,"1,1,2,2-TETRABROMOETHANE","79-27-6","BrC(Br)C(Br)Br","BrC(Br)C(Br)Br","BrC(Br)C(Br)Br","BrC(Br)C(Br)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[474,2860,"2,3-DIMETHYLBUTANE","79-29-8","CC(C)C(C)C","CC(C)C(C)C","CC(C)C(C)C","CC(C)C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[475,2417,"ISOBUTYRIC ACID","79-31-2","CC(C)C(=O)O","CC(C)C(=O)O","CC(C)C(=O)O","CC(C)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[476,1911,"1,1,2,2-TETRACHLOROETHANE","79-34-5","ClC(Cl)C(Cl)Cl","ClC(Cl)C(Cl)Cl","ClC(Cl)C(Cl)Cl","ClC(Cl)C(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[477,2334,"METHACRYLIC ACID","79-41-4","C=C(C)C(=O)O","C=C(C)C(=O)O","C=C(C)C(=O)O","C=C(C)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[478,1909,"DICHLOROACETIC ACID","79-43-6","O=C(O)C(Cl)Cl","O=C(O)C(Cl)Cl","O=C(O)C(Cl)Cl","O=C(O)C(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[479,2171,"2-NITROPROPANE","79-46-9","CC(C)[N+](=O)[O-]","CC(C)[N+](=O)[O-]","CC(C)[N+](=O)[O-]","CC(C)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[480,4597,"oxytetracylcine","79-57-2",null,"CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C3C(C(c4c(C3=O)c(O)ccc4)(C)O)C2O",null,"CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4)(C)O)C2O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[481,4165,"D-PANTOTHENIC ACID","79-83-4","CC(C)(CO)C(O)C(=O)NCCC(=O)O","CC(C)(CO)C(O)C(=O)NCCC(=O)O","CC(C)(CO)C(O)C(=O)NCCC(=O)O","CC(C)(CO)C(O)C(=O)NCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[482,null,"3-Furancarboxylic acid, tetrahydro-2,2-dimethyl-","79-91-4","CC1(C(CCO1)C(=O)O)C","CC1(C(CC(O1)=O)C(=O)O)C",null,null,0,2,2,"YES","NO",null,null,"Eliminate","-","Stereochemistry removed, Missing/ambiguous"]
[483,154,"CAMPHENE","79-92-5","C=C1C(C2CCC1C2)(C)C","C=C1C(C2CCC1C2)(C)C","C=C1C(C2CCC1C2)(C)C","C=C1C(C2CCC1C2)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[484,1169,"2-p-sulfanilylanilinoethanol","80-02-4","CC(O)Nc1c(cccc1)S(=O)(=O)c2ccc(cc2)N","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)NCCO","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)NCCO","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)NCCO",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[485,1320,"DIPHENYLOLPROPANE","80-05-7","CC(C)(c1ccc(cc1)O)c2ccc(cc2)O","CC(C)(c1ccc(cc1)O)c2ccc(cc2)O","CC(C)(c1ccc(cc1)O)c2ccc(cc2)O","CC(C)(c1ccc(cc1)O)c2ccc(cc2)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[486,579,"di(p-aminophenyl)sulfone","80-08-0",null,"Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N",null,"Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[487,4104,"cumenehydroperoxide","80-15-9","CC(C)c1ccccc1","CC(C)(OO)c1ccccc1","CC(C)(OO)c1ccccc1","CC(C)(OO)c1ccccc1",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[488,3577,"METHYL BENZENESULFONATE","80-18-2","COS(=O)(=O)c1ccccc1","COS(=O)(=O)c1ccccc1","COS(=O)(=O)c1ccccc1","COS(=O)(=O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[489,329,"Sulfachlorpyridazine","80-32-0","Nc1ccc(cc1)S(=O)(=O)Nc2nnc(cc2)Cl","Nc1ccc(cc1)S(=O)(=O)Nc2nnc(cc2)Cl","Nc1ccc(cc1)S(=O)(=O)Nc2nnc(cc2)Cl","Nc1ccc(cc1)S(=O)(=O)Nc2nnc(cc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[490,null,"benzenesulfonamide,4-amino-n-[5-(1-methylethyl)","80-34-2",null,"CC(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",null,"CC(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[491,382,"SULFAMETHOXYPYRIDAZINE","80-35-3","COc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N","COc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N","COc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N","COc1nnc(cc1)NS(=O)(=O)c2ccc(cc2)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[492,1568,"PEROXIDE, BIS(1-METHYL-1-PHENYLETHYL)","80-43-3","CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2","CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2","CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2","CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[493,451,"P-TERT-AMYLPHENOL","80-46-6","CCC(C)(C)c1ccc(cc1)O","CCC(C)(C)c1ccc(cc1)O","CCC(C)(C)c1ccc(cc1)O","CCC(C)(C)c1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[494,228,"Terpin","80-53-5","CC1(CCC(CC1)C(C)(C)O)O","CC1(CCC(CC1)C(C)(C)O)O","CC1(CCC(CC1)C(C)(C)O)O","CC1(CCC(CC1)C(C)(C)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2188, 3214"]
[495,153,"ALPHA-PINENE","80-56-8","CC=1C2CC(CC1)C2(C)C","CC=1C2CC(CC1)C2(C)C","CC=1C2CC(CC1)C2(C)C","CC=1C2CC(CC1)C2(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[496,2356,"a-bromobutyricacid","80-58-0",null,"CCC(Br)C(=O)O",null,"CCC(Br)C(=O)O",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[497,2447,"ALPHA-AMINOBUTYRIC ACID","80-60-4","CCC(N)C(=O)O","CCC(N)C(=O)O",null,"CCC(N)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"3293"]
[498,2675,"METHYL METHACRYLATE","80-62-6","C=C(C)C(=O)OC","C=C(C)C(=O)OC","C=C(C)C(=O)OC","C=C(C)C(=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[499,2457,"DL-Threonine","80-68-2","CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1606, 292"]
[500,1021,"Acetyl sulfisoxazole","80-74-0","CC(=O)N(c1c(c(no1)C)C)S(=O)(=O)c2ccc(cc2)N","CC(=O)N(c1c(c(no1)C)C)S(=O)(=O)c2ccc(cc2)N",null,"CC(=O)N(c1c(c(no1)C)C)S(=O)(=O)c2ccc(cc2)N",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[501,4594,"PREG-4-ENE-3,20-DIONE, 11-HYDROXY-, (11.alpha.)-","80-75-1",null,"CC(=O)C1C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[502,372,"Chlormezanone","80-77-3","CN1C(S(CCC1=O)(=O)=O)c2ccc(cc2)Cl","CN1C(S(CCC1=O)(=O)=O)c2ccc(cc2)Cl","CN1C(S(CCC1=O)(=O)=O)c2ccc(cc2)Cl","CN1C(S(CCC1=O)(=O)=O)c2ccc(cc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[503,3418,"1,1-DIOX-1,2-BENZISOTHIAZOL-3-ONE","81-07-2",null,"O=C1c2c(S(N1)(=O)=O)cccc2","O=C1c2c(S(N1)(=O)=O)cccc2","O=C1c2c(S(N1)(=O)=O)cccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[504,4189,"Dexpanthenol","81-13-0","CC(C)(CO)C(O)C(=O)NCCCO","CC(C)(CO)C(O)C(=O)NCCCO","CC(C)(CO)C(O)C(=O)NCCCO","CC(C)(CO)C(O)C(=O)NCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[505,1186,"Musk ketone","81-14-1","CC(=O)c1c(c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C","CC(=O)c1c(c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C","CC(=O)c1c(c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C","CC(=O)c1c(c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[506,1848,"DEHYDROCHOLIC ACID","81-23-2","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3=O)CC(=O)CC4)C)CC2=O)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3=O)CC(=O)CC4)C)CC2=O)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3=O)CC(=O)CC4)C)CC2=O)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3=O)CC(=O)CC4)C)CC2=O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[507,1857,"CHOLIC ACID","81-25-4","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[508,1250,"PURPURIN","81-54-9","O=C1c2c(C(c3c1cccc3)=O)c(O)c(O)cc2O","O=C1c2c(C(c3c1cccc3)=O)c(O)c(O)cc2O","O=C1c2c(C(c3c1cccc3)=O)c(O)c(O)cc2O","O=C1c2c(C(c3c1cccc3)=O)c(O)c(O)cc2O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[509,1622,"WARFARIN","81-81-2","CC(=O)CC(c1ccccc1)c2c(c3c(oc2O)cccc3)=O","CC(=O)CC(c1ccccc1)c2c(c3c(oc2O)cccc3)=O","CC(=O)CC(c1ccccc1)c2c(oc3c(c2O)cccc3)=O","CC(=O)CC(c1ccccc1)c2c(oc3c(c2O)cccc3)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[510,1615,"COUMACHLOR","81-82-3","CC(=O)CC(c1ccc(cc1)Cl)c2c(c3c(oc2O)cccc3)=O","CC(=O)CC(c1ccc(cc1)Cl)c2c(c3c(oc2O)cccc3)=O","CC(=O)CC(c1ccc(cc1)Cl)c2c(oc3c(c2O)cccc3)=O","CC(=O)CC(c1ccc(cc1)Cl)c2c(oc3c(c2O)cccc3)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[511,1690,"Benzoic acid, 2- bis(4-hydroxyphenyl)methyl -","81-90-3",null,"O=C(O)c1c(cccc1)C(c2ccc(cc2)O)c3ccc(cc3)O","O=C(O)c1c(cccc1)C(c2ccc(cc2)O)c3ccc(cc3)O","O=C(O)c1c(cccc1)C(c2ccc(cc2)O)c3ccc(cc3)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[512,1136,"Khellin","82-02-0","COc1c2c(c(c3c1occ3)OC)c(=O)cc(C)o2","COc1c2c(c(c3c1occ3)OC)c(=O)cc(C)o2","COc1c2c(c(c3c1occ3)OC)c(=O)cc(C)o2","COc1c2c(c(c3c1occ3)OC)c(=O)cc(C)o2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[513,1275,"1-AMINO-2-METHYL-9,10-ANTHRACENEDIONE","82-28-0","Cc1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)N","Cc1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)N","Cc1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)N","Cc1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[514,1251,"1,8-ANTHRAQUINONEDISULFONIC ACID","82-48-4","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)c(ccc2)S(=O)(=O)O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)c(ccc2)S(=O)(=O)O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)c(ccc2)S(=O)(=O)O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)c(ccc2)S(=O)(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[515,1819,"DIPHACINONE","82-66-6","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccccc4","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccccc4","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccccc4","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccccc4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[516,2706,"PENTACHLORONITROBENZENE","82-68-8","O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[517,2970,"2,4,6-TRINITRORESORCINOL","82-71-3","O=[N+]([O-])c1c(c(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])O","O=[N+]([O-])c1c(c(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])O","O=[N+]([O-])c1c(c(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])O","O=[N+]([O-])c1c(c(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[518,1565,"CYCLIZINE","82-92-8","CN1CCN(CC1)C(c2ccccc2)c3ccccc3","CN1CCN(CC1)C(c2ccccc2)c3ccccc3","CN1CCN(CC1)C(c2ccccc2)c3ccccc3","CN1CCN(CC1)C(c2ccccc2)c3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[519,395,"Ampyrone","83-07-8","Cc1n(n(c(c1N)=O)-c2ccccc2)C","Cc1n(n(c(c1N)=O)-c2ccccc2)C","Cc1n(n(c(c1N)=O)-c2ccccc2)C",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[520,1152,"PINDONE","83-26-1","CC(C)(C)C(=O)C1C(c2c(C1=O)cccc2)=O","CC(C)(C)C(=O)C1C(c2c(C1=O)cccc2)=O","CC(C)(C)C(=O)C1C(c2c(C1=O)cccc2)=O","CC(C)(C)C(=O)C1C(c2c(C1=O)cccc2)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[521,532,"ACENAPHTHENE","83-32-9","c1cc2c3c(c1)CCc3ccc2","c1cc2c3c(c1)CCc3ccc2","c1cc2c3c(c1)CCc3ccc2","c1cc2c3c(c1)CCc3ccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[522,4306,"3-METHYLINDOLE","83-34-1","Cc1c2c([nH]c1)cccc2","Cc1c2c([nH]c1)cccc2","Cc1c2c([nH]c1)cccc2","Cc1c2c([nH]c1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[523,3965,"3-METHYLSALICYLIC ACID","83-40-9","Cc1c(c(ccc1)C(=O)O)O","Cc1c(c(ccc1)C(=O)O)O","Cc1c(c(ccc1)C(=O)O)O","Cc1c(c(ccc1)C(=O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[524,1810,"Methylprednisolone","83-43-2","CC1C=2C(C3C(C1)C4C(CC3O)(C(CC4)(O)C(=O)CO)C)(C)C=CC(=O)C2","CC1C=2C(C3C(C1)C4C(CC3O)(C(CC4)(O)C(=O)CO)C)(C)C=CC(=O)C2","CC1C=2C(C3C(C1)C4C(CC3O)(C(CC4)(O)C(=O)CO)C)(C)C=CC(=O)C2","CC1C=2C(C3C(C1)C4C(CC3O)(C(CC4)(O)C(=O)CO)C)(C)C=CC(=O)C2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[525,1855,"DEOXYCHOLIC ACID","83-44-3","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[526,1854,"HYODEOXYCHOLIC ACID","83-49-8","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(C(C3)O)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(C(C3)O)CC(O)CC4)C)CC2)C",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[527,332,"4(1H)-Quinolinone, 1-methyl-","83-54-5","Cn1c2c(c(cc1)=O)cccc2","Cn1c2c(c(cc1)=O)cccc2","Cn1c2c(c(cc1)=O)cccc2","Cn1c2c(c(cc1)=O)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[528,314,"1,5-DIHYDROXYNAPHTHALENE","83-56-7","Oc1c2c(ccc1)c(O)ccc2","Oc1c2c(ccc1)c(O)ccc2","Oc1c2c(ccc1)c(O)ccc2","Oc1c2c(ccc1)c(O)ccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[529,3560,"THEOBROMINE","83-67-0","Cn1c2c(nc1)n(c([nH]c2=O)=O)C","Cn1c2c(nc1)n(c([nH]c2=O)=O)C","Cn1c2c(nc1)n(c([nH]c2=O)=O)C","Cn1c2c(nc1)n(c([nH]c2=O)=O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[530,1822,"ROTENONE","83-79-4","C=C(C)C1Oc2c(C1)c3c(cc2)C(C4C(O3)COc5c4cc(c(c5)OC)OC)=O","C=C(C)C1Oc2c(C1)c3c(cc2)C(C4C(O3)COc5c4cc(c(c5)OC)OC)=O","C=C(C)C1Oc2c(C1)c3c(cc2)C(C4C(O3)COc5c4cc(c(c5)OC)OC)=O","C=C(C)C1Oc2c(C1)c3c(cc2)C(C4C(O3)COc5c4cc(c(c5)OC)OC)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[531,2928,"Phytic Acid","83-86-3","O=P(O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","O=P(O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","O=P(O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","O=P(O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[532,1502,"RIBOFLAVIN","83-88-5","Cc1c(cc2c(c1)nc3-c(nc([nH]c3=O)=O)n2CC(O)C(O)C(O)CO)C","Cc1c(cc2c(c1)nc3-c(nc([nH]c3=O)=O)n2CC(O)C(O)C(O)CO)C","Cc1c(cc2c(c1)nc3-c(nc([nH]c3=O)=O)n2CC(O)C(O)C(O)CO)C","Cc1c(cc2c(c1)nc3-c(nc([nH]c3=O)=O)n2CC(O)C(O)C(O)CO)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[533,1829,"Thiopropazate","84-06-0","CC(=O)OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3","CC(=O)OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3","CC(=O)OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3","CC(=O)OCCN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(Cl)c3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[534,1244,"9,10-PHENANTHRENEDIONE","84-11-7","O=C1c2c(-c3c(C1=O)cccc3)cccc2","O=C1c2c(-c3c(C1=O)cccc3)cccc2","O=C1c2c(-c3c(C1=O)cccc3)cccc2","O=C1c2c(-c3c(C1=O)cccc3)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[535,1545,"O-TERPHENYL","84-15-1","c1ccc(cc1)-c2c(cccc2)-c3ccccc3","c1ccc(cc1)-c2c(cccc2)-c3ccccc3","c1ccc(cc1)-c2c(cccc2)-c3ccccc3","c1ccc(cc1)-c2c(cccc2)-c3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[536,1570,"Hexestrol","84-16-2","CCC(c1ccc(cc1)O)C(CC)c2ccc(cc2)O","CCC(c1ccc(cc1)O)C(CC)c2ccc(cc2)O","CCC(c1ccc(cc1)O)C(CC)c2ccc(cc2)O","CCC(c1ccc(cc1)O)C(CC)c2ccc(cc2)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[537,1553,"Dienestrol","84-17-3","CC=C(C(=CC)c1ccc(cc1)O)c2ccc(cc2)O","CC=C(C(=CC)c1ccc(cc1)O)c2ccc(cc2)O","CC=C(C(=CC)c1ccc(cc1)O)c2ccc(cc2)O","CC=C(C(=CC)c1ccc(cc1)O)c2ccc(cc2)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[538,126,"3'-Adenylic acid","84-21-9","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O","Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[539,1697,"Quininone","84-31-1","C=CC1C2CCN(C1)C(C2)C(=O)c3c4c(ncc3)ccc(OC)c4","C=CC1C2CCN(C1)C(C2)C(=O)c3c4c(ncc3)ccc(OC)c4","C=CC1C2CCN(C1)C(C2)C(=O)c3c4c(ncc3)ccc(OC)c4",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[540,1249,"2,6-DIHYDROXY-ANTHRAQUINONE","84-60-6","O=C1c2c(C(c3c1ccc(O)c3)=O)ccc(O)c2","O=C1c2c(C(c3c1ccc(O)c3)=O)ccc(O)c2",null,"O=C1c2c(C(c3c1ccc(O)c3)=O)ccc(O)c2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[541,1710,"DICYCLOHEXYL PHTHALATE","84-61-7","O=C(OC1CCCCC1)c2c(cccc2)C(=O)OC3CCCCC3","O=C(OC1CCCCC1)c2c(cccc2)C(=O)OC3CCCCC3","O=C(OC1CCCCC1)c2c(cccc2)C(=O)OC3CCCCC3","O=C(OC1CCCCC1)c2c(cccc2)C(=O)OC3CCCCC3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[542,1684,"DIPHENYL PHTHALATE","84-62-8","O=C(Oc1ccccc1)c2c(cccc2)C(=O)Oc3ccccc3","O=C(Oc1ccccc1)c2c(cccc2)C(=O)Oc3ccccc3","O=C(Oc1ccccc1)c2c(cccc2)C(=O)Oc3ccccc3","O=C(Oc1ccccc1)c2c(cccc2)C(=O)Oc3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[543,1245,"ANTHRAQUINONE","84-65-1","O=C1c2c(C(c3c1cccc3)=O)cccc2","O=C1c2c(C(c3c1cccc3)=O)cccc2","O=C1c2c(C(c3c1cccc3)=O)cccc2","O=C1c2c(C(c3c1cccc3)=O)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[544,622,"DIETHYL PHTHALATE","84-66-2","CCOC(=O)c1c(cccc1)C(=O)OCC","CCOC(=O)c1c(cccc1)C(=O)OCC","CCOC(=O)c1c(cccc1)C(=O)OCC","CCOC(=O)c1c(cccc1)C(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[545,1447,"DI-ISOBUTYLPHTHALATE","84-69-5","CC(C)COC(=O)c1c(cccc1)C(=O)OCC(C)C","CC(C)COC(=O)c1c(cccc1)C(=O)OCC(C)C","CC(C)COC(=O)c1c(cccc1)C(=O)OCC(C)C","CC(C)COC(=O)c1c(cccc1)C(=O)OCC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[546,1448,"DIBUTYL PHTHALATE","84-74-2","CCCCOC(=O)c1c(cccc1)C(=O)OCCCC","CCCCOC(=O)c1c(cccc1)C(=O)OCCCC","CCCCOC(=O)c1c(cccc1)C(=O)OCCCC","CCCCOC(=O)c1c(cccc1)C(=O)OCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[547,1719,"DIHEXYL PHTHALATE","84-75-3","CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC","CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC","CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC","CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[548,1885,"DIDECYL PHTHALATE","84-77-5","CCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCCCC","CCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCCCC","CCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCCCC","CCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[549,1303,"Xanthoxyletin","84-99-1","COc1c2c(cc3c1C=CC(O3)(C)C)oc(=O)cc2","COc1c2c(cc3c1C=CC(O3)(C)C)oc(=O)cc2","COc1c2c(cc3c1C=CC(O3)(C)C)oc(=O)cc2","COc1c2c(cc3c1C=CC(O3)(C)C)oc(=O)cc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[550,577,"DIQUAT DIBROMIDE","85-00-7","c1cc-2[n+](cc1)CC[n+]3c2cccc3","c1cc-2[n+](cc1)CC[n+]3c2cccc3","c1cc-2[n+](cc1)CC[n+]3c2cccc3","c1cc-2[n+](cc1)CC[n+]3c2cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"3283"]
[551,1098,"PHENANTHRENE","85-01-8","c1cc2c(cc1)c3c(cc2)cccc3","c1cc2c(cc1)c3c(cc2)cccc3","c1cc2c(cc1)c3c(cc2)cccc3","c1cc2c(cc1)c3c(cc2)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[552,1092,"BENZO(F)QUINOLINE","85-02-9","c1cc2c(cc1)c3c(cc2)nccc3","c1cc2c(cc1)c3c(cc2)nccc3","c1cc2c(cc1)c3c(cc2)nccc3","c1cc2c(cc1)c3c(cc2)nccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[553,3505,"8-CHLOROTHEOPHYLLINE","85-18-7","Cn1c(n(c2c(c1=O)[nH]c(Cl)n2)C)=O","Cn1c(n(c2c(c1=O)[nH]c(Cl)n2)C)=O","Cn1c(n(c2c(c1=O)[nH]c(Cl)n2)C)=O","Cn1c(n(c2c(c1=O)[nH]c(Cl)n2)C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[554,3858,"FENAC","85-34-7","O=C(O)Cc1c(c(ccc1Cl)Cl)Cl","O=C(O)Cc1c(c(ccc1Cl)Cl)Cl","O=C(O)Cc1c(c(ccc1Cl)Cl)Cl","O=C(O)Cc1c(c(ccc1Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[555,null,"P-NITROSALICYLIC ACID","85-38-1","O=C(O)c1c(cc(cc1)[N+](=O)[O-])O","O=C(O)c1c(c(ccc1)[N+](=O)[O-])O","O=C(O)c1c(cc(cc1)[N+](=O)[O-])O","O=C(O)c1c(c(ccc1)[N+](=O)[O-])O",2,2,0,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[556,3867,"PHTHALIMIDE","85-41-6","O=C1c2c(C(N1)=O)cccc2","O=C1c2c(C(N1)=O)cccc2","O=C1c2c(C(N1)=O)cccc2","O=C1c2c(C(N1)=O)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[557,3855,"PHTHALIC ANHYDRIDE","85-44-9","O=C1c2c(C(O1)=O)cccc2","O=C1c2c(C(O1)=O)cccc2","O=C1c2c(C(O1)=O)cccc2","O=C1c2c(C(O1)=O)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[558,1259,"Benzoic acid, 2-(4-chlorobenzoyl)-","85-56-3","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Cl","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Cl","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Cl","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[559,1105,"Benzoic acid, 2-(4-hydroxybenzoyl)-","85-57-4","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)O","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)O","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)O","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[560,1634,"BUTYL BENZYL PHTHALATE","85-68-7","CCCCOC(=O)c1c(cccc1)C(=O)OCc2ccccc2","CCCCOC(=O)c1c(cccc1)C(=O)OCc2ccccc2","CCCCOC(=O)c1c(cccc1)C(=O)OCc2ccccc2","CCCCOC(=O)c1c(cccc1)C(=O)OCc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[561,1297,"3'-Methylphthalanilic Acid","85-72-3","Cc1cc(ccc1)NC(=O)c2c(cccc2)C(=O)O","Cc1cc(ccc1)NC(=O)c2c(cccc2)C(=O)O","Cc1cc(ccc1)NC(=O)c2c(cccc2)C(=O)O","Cc1cc(ccc1)NC(=O)c2c(cccc2)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[562,1471,"Phthalylsulfathiazole","85-73-4","O=C(O)c1c(cccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3sccn3","O=C(O)c1c(cccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3sccn3","O=C(O)c1c(cccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3sccn3","O=C(O)c1c(cccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3sccn3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[563,null,"2,7-NAPHTHALENEDISULFONIC ACID, 1-AMINO-","85-74-5","Nc1c2c(ccc1S(=O)(=O)O)ccc(S(=O)(=O)O)c2","Nc1c2c(c(cc1)S(=O)(=O)O)cc(S(=O)(=O)O)cc2","Nc1c2c(ccc1S(=O)(=O)O)ccc(S(=O)(=O)O)c2","Nc1c2c(c(cc1)S(=O)(=O)O)cc(S(=O)(=O)O)cc2",2,2,0,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[564,342,"1,6-NAPHTHALENEDISULFONIC ACID, 4-AMINO-","85-75-6","Nc1c2c(c(cc1)S(=O)(=O)O)ccc(S(=O)(=O)O)c2","Nc1c2c(c(cc1)S(=O)(=O)O)ccc(S(=O)(=O)O)c2","Nc1c2c(c(cc1)S(=O)(=O)O)ccc(S(=O)(=O)O)c2","Nc1c2c(c(cc1)S(=O)(=O)O)ccc(S(=O)(=O)O)c2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[565,1716,"DIBUCAINE","85-79-0","CCCCOc1nc2c(c(c1)C(=O)NCCN(CC)CC)cccc2","CCCCOc1nc2c(c(c1)C(=O)NCCN(CC)CC)cccc2","CCCCOc1nc2c(c(c1)C(=O)NCCN(CC)CC)cccc2","CCCCOc1nc2c(c(c1)C(=O)NCCN(CC)CC)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[566,1397,"2-Naphthalenamine, 1-(phenylazo)-","85-84-7","Nc1c(c2c(cc1)cccc2)N=Nc3ccccc3","Nc1c(c2c(cc1)cccc2)N=Nc3ccccc3",null,"Nc1c(c2c(cc1)cccc2)N=Nc3ccccc3",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[567,1114,"DIPHENYLACETONITRILE","86-29-3","N#CC(c1ccccc1)c2ccccc2","N#CC(c1ccccc1)c2ccccc2","N#CC(c1ccccc1)c2ccccc2","N#CC(c1ccccc1)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[568,541,"DIPHENYLNITROSAMINE","86-30-6","O=NN(c1ccccc1)c2ccccc2","O=NN(c1ccccc1)c2ccccc2","O=NN(c1ccccc1)c2ccccc2","O=NN(c1ccccc1)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[569,4397,"METHYL AZINPHOS","86-50-0",null,"COP(=S)(OC)SCn1c(c2c(nn1)cccc2)=O",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on PubChem, Manual Check passed",""]
[570,519,"1-NAPTHOIC ACID","86-55-5",null,"O=C(O)c1c2c(ccc1)cccc2","O=C(O)c1c2c(ccc1)cccc2","O=C(O)c1c2c(ccc1)cccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[571,297,"1-NITRONAPHTHALENE","86-57-7","O=[N+]([O-])c1c2c(ccc1)cccc2","O=[N+]([O-])c1c2c(ccc1)cccc2","O=[N+]([O-])c1c2c(ccc1)cccc2","O=[N+]([O-])c1c2c(ccc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[572,293,"8-Quinolinecarboxylic acid","86-59-9","O=C(O)c1c2c(ccc1)cccn2","O=C(O)c1c2c(ccc1)cccn2","O=C(O)c1c2c(ccc1)cccn2","O=C(O)c1c2c(ccc1)cccn2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[573,341,"2-NAPHTHYLAMINE-6,8-DISULFONIC ACID","86-65-7","Nc1cc2c(cc1)cc(S(=O)(=O)O)cc2S(=O)(=O)O",null,"Nc1cc2c(cc1)cc(S(=O)(=O)O)cc2S(=O)(=O)O","Nc1cc2c(cc1)cc(S(=O)(=O)O)cc2S(=O)(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[574,965,"9H-FLUORENE","86-73-7","c1cc2c(cc1)-c3c(C2)cccc3","c1cc2c(cc1)-c3c(C2)cccc3","c1cc2c(cc1)-c3c(C2)cccc3","c1cc2c(cc1)-c3c(C2)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[575,949,"CARBAZOLE","86-74-8","c1cc2c(cc1)c3c([nH]2)cccc3","c1cc2c(cc1)c3c([nH]2)cccc3","c1cc2c(cc1)c3c([nH]2)cccc3","c1cc2c(cc1)c3c([nH]2)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[576,81,"Benzaldehyde, 3,4,5-trimethoxy-","86-81-7","COc1c(c(cc(c1)C=O)OC)OC","COc1c(c(cc(c1)C=O)OC)OC","COc1c(c(cc(c1)C=O)OC)OC","COc1c(c(cc(c1)C=O)OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[577,563,"1-Naphthaleneacetamide","86-86-2","NC(=O)Cc1c2c(ccc1)cccc2","NC(=O)Cc1c2c(ccc1)cccc2","NC(=O)Cc1c2c(ccc1)cccc2","NC(=O)Cc1c2c(ccc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[578,550,"NAPHTHALENEACETIC ACID","86-87-3","O=C(O)Cc1c2c(ccc1)cccc2","O=C(O)Cc1c2c(ccc1)cccc2","O=C(O)Cc1c2c(ccc1)cccc2","O=C(O)Cc1c2c(ccc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[579,4426,"n-1-napthylthiourea","86-88-4",null,"NC(=S)Nc1c2c(ccc1)cccc2",null,"NC(=S)Nc1c2c(ccc1)cccc2",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[580,null,"7-methylquinazoline-2,4-dione","86-96-4","Cc1cc2c(cc1)c(=O)[nH]c(=O)[nH]2","O=c1[nH]c2c(c([nH]1)=O)cccc2",null,"O=c1[nH]c2c(c([nH]1)=O)cccc2",2,1,1,"NO","NO",2,1,"Eliminate","-","Manual Check failed"]
[581,1439,"HOMATROPIN","87-00-3","CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3","CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3","CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3","CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[582,990,"SALICYLANILIDE","87-17-2","O=C(Nc1ccccc1)c2c(cccc2)O","O=C(Nc1ccccc1)c2c(cccc2)O","O=C(Nc1ccccc1)c2c(cccc2)O","O=C(Nc1ccccc1)c2c(cccc2)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[583,655,"Benzoic acid, 2-hydroxy-, 3-methylbutyl ester","87-20-7","CC(C)CCOC(=O)c1c(cccc1)O","CC(C)CCOC(=O)c1c(cccc1)O","CC(C)CCOC(=O)c1c(cccc1)O","CC(C)CCOC(=O)c1c(cccc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[584,4049,"Benzoic acid, 2-hydroxy-, 2-hydroxyethyl ester","87-28-5","O=C(OCCO)c1c(cccc1)O","O=C(OCCO)c1c(cccc1)O","O=C(OCCO)c1c(cccc1)O","O=C(OCCO)c1c(cccc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[585,1015,"N-acetyl-DL-tryptophan","87-32-1","CC(=O)NC(Cc1c2c([nH]c1)cccc2)C(=O)O","CC(=O)NC(Cc1c2c([nH]c1)cccc2)C(=O)O",null,"CC(=O)NC(Cc1c2c([nH]c1)cccc2)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[586,3137,"D-GLUCITOL, 1,4:3,6-DIANHYDRO-, DINITRATE","87-33-2","O=[N+]([O-])OC1C2C(OC1)C(O[N+](=O)[O-])CO2","O=[N+]([O-])OC1C2C(OC1)C(O[N+](=O)[O-])CO2","O=[N+]([O-])OC1C2C(OC1)C(O[N+](=O)[O-])CO2","O=[N+]([O-])OC1C2C(OC1)C(O[N+](=O)[O-])CO2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[587,3391,"2,4,6-TRICHLOROANISOLE","87-40-1","COc1c(cc(cc1Cl)Cl)Cl","COc1c(cc(cc1Cl)Cl)Cl","COc1c(cc(cc1Cl)Cl)Cl","COc1c(cc(cc1Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[588,2589,"6-Chloropurine","87-42-3","Clc1c2c(ncn1)nc[nH]2","Clc1c2c(ncn1)nc[nH]2",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[589,1019,"PYROLAN","87-47-8","Cc1nn(c(c1)OC(=O)N(C)C)-c2ccccc2","Cc1nn(c(c1)OC(=O)N(C)C)-c2ccccc2","Cc1nn(c(c1)OC(=O)N(C)C)-c2ccccc2","Cc1nn(c(c1)OC(=O)N(C)C)-c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[590,335,"INDOLE-3-ACETIC ACID","87-51-4","O=C(O)Cc1c2c([nH]c1)cccc2","O=C(O)Cc1c2c([nH]c1)cccc2","O=C(O)Cc1c2c([nH]c1)cccc2","O=C(O)Cc1c2c([nH]c1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[591,2955,"1,2,3-TRICHLOROBENZENE","87-61-6","Clc1c(c(ccc1)Cl)Cl","Clc1c(c(ccc1)Cl)Cl","Clc1c(c(ccc1)Cl)Cl","Clc1c(c(ccc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"3938"]
[592,3673,"2,6-DIMETHYLANILINE","87-62-7","Cc1c(c(ccc1)C)N","Cc1c(c(ccc1)C)N","Cc1c(c(ccc1)C)N","Cc1c(c(ccc1)C)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[593,3506,"2-METHYL-6-CHLOROPHENOL","87-64-9","Cc1c(c(ccc1)Cl)O","Cc1c(c(ccc1)Cl)O","Cc1c(c(ccc1)Cl)O","Cc1c(c(ccc1)Cl)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[594,2992,"2,6-DICHLOROPHENOL","87-65-0","Oc1c(cccc1Cl)Cl","Oc1c(cccc1Cl)Cl","Oc1c(cccc1Cl)Cl","Oc1c(cccc1Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[595,3094,"1,2,3-TRIHYDROXYBENZENE","87-66-1","Oc1c(c(ccc1)O)O","Oc1c(c(ccc1)O)O","Oc1c(c(ccc1)O)O","Oc1c(c(ccc1)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[596,2214,"HEXACHLOROBUTADIENE","87-68-3","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[597,2353,"TARTARIC ACID","87-69-4","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1513, 1609, 1610, 1713, 1993"]
[598,2837,"L-Sorbose","87-79-6","O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO","O=C(CO)C(O)C(O)C(O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[599,2704,"HEXABROMOBENZENE","87-82-1","Brc1c(c(c(c(c1Br)Br)Br)Br)Br","Brc1c(c(c(c(c1Br)Br)Br)Br)Br","Brc1c(c(c(c(c1Br)Br)Br)Br)Br","Brc1c(c(c(c(c1Br)Br)Br)Br)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[600,665,"HEXAMETHYLBENZENE","87-85-4","Cc1c(c(c(c(c1C)C)C)C)C","Cc1c(c(c(c(c1C)C)C)C)C","Cc1c(c(c(c(c1C)C)C)C)C","Cc1c(c(c(c(c1C)C)C)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[601,3168,"PENTACHLOROPHENOL","87-86-5","Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[602,2931,"Chloranilic acid","87-88-7","O=C1C(=C(C(C(=C1O)Cl)=O)O)Cl","O=C1C(=C(C(C(=C1O)Cl)=O)O)Cl","O=C1C(=C(C(C(=C1O)Cl)=O)O)Cl","O=C1C(=C(C(C(=C1O)Cl)=O)O)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[603,2835,"INOSITOL","87-89-8","OC1C(C(C(C(C1O)O)O)O)O","OC1C(C(C(C(C1O)O)O)O)O","OC1C(C(C(C(C1O)O)O)O)O","OC1C(C(C(C(C1O)O)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1869"]
[604,2043,"1,3,5-TRICHLOROISOCYANURIC ACID","87-90-1","O=c1n(c(n(c(n1Cl)=O)Cl)=O)Cl","O=c1n(c(n(c(n1Cl)=O)Cl)=O)Cl","O=c1n(c(n(c(n1Cl)=O)Cl)=O)Cl","O=c1n(c(n(c(n1Cl)=O)Cl)=O)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[605,2572,"Xylitol","87-99-0","OCC(O)C(O)C(O)CO","OCC(O)C(O)C(O)CO","OCC(O)C(O)C(O)CO","OCC(O)C(O)C(O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[606,3983,"4-CHLORO-3,5-DIMETHYL PHENOL","88-04-0","Cc1c(c(cc(c1)O)C)Cl","Cc1c(c(cc(c1)O)C)Cl","Cc1c(c(cc(c1)O)C)Cl","Cc1c(c(cc(c1)O)C)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[607,2958,"2,4,6-TRICHLOROPHENOL","88-06-2","Oc1c(cc(cc1Cl)Cl)Cl","Oc1c(cc(cc1Cl)Cl)Cl","Oc1c(cc(cc1Cl)Cl)Cl","Oc1c(cc(cc1Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[608,2814,"2-ETHYLBUTYRIC ACID","88-09-5","CCC(CC)C(=O)O","CCC(CC)C(=O)O","CCC(CC)C(=O)O","CCC(CC)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[609,2609,"THIOPHENE-3-CARBOXYLIC ACID","88-13-1","O=C(O)c1cscc1","O=C(O)c1cscc1","O=C(O)c1cscc1","O=C(O)c1cscc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[610,2611,"2-FURANCARBOXYLIC ACID","88-14-2","O=C(O)c1occc1","O=C(O)c1occc1","O=C(O)c1occc1","O=C(O)c1occc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[611,3097,"2-ACETYLTHIOPHENE","88-15-3","CC(=O)c1sccc1","CC(=O)c1sccc1","CC(=O)c1sccc1","CC(=O)c1sccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[612,133,"o-t-butylphenol","88-18-6","CC(C)(C)Oc1ccccc1","CC(C)(C)c1c(cccc1)O","CC(C)(C)c1c(cccc1)O","CC(C)(C)c1c(cccc1)O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[613,3610,"O-METHYLBENZENESULFONAMIDE","88-19-7","Cc1c(cccc1)S(N)(=O)=O","Cc1c(cccc1)S(N)(=O)=O","Cc1c(cccc1)S(N)(=O)=O","Cc1c(cccc1)S(N)(=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[614,3369,"3-TRIFLUOROMETHYL-4-NITROPHENOL","88-30-2","O=[N+]([O-])c1c(cc(cc1)O)C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)O)C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)O)C(F)(F)F",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[615,3613,"2-Amino-5-methylbenzenesulfonic acid","88-44-8","Cc1cc(c(cc1)N)S(=O)(=O)O","Cc1cc(c(cc1)N)S(=O)(=O)O","Cc1cc(c(cc1)N)S(=O)(=O)O","Cc1cc(c(cc1)N)S(=O)(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[616,3384,"o-bromobenzoicacid","88-65-3","O=C(OBr)c1ccccc1","O=C(O)c1c(cccc1)Br","O=C(O)c1c(cccc1)Br","O=C(O)c1c(cccc1)Br",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[617,3407,"2-IODOBENZOIC ACID","88-67-5","O=C(O)c1c(cccc1)I","O=C(O)c1c(cccc1)I","O=C(O)c1c(cccc1)I","O=C(O)c1c(cccc1)I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[618,3528,"2-NITROTOLUENE","88-72-2","Cc1c(cccc1)[N+](=O)[O-]","Cc1c(cccc1)[N+](=O)[O-]","Cc1c(cccc1)[N+](=O)[O-]","Cc1c(cccc1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[619,3004,"2-CHLORO-1-NITROBENZENE","88-73-3","O=[N+]([O-])c1c(cccc1)Cl","O=[N+]([O-])c1c(cccc1)Cl","O=[N+]([O-])c1c(cccc1)Cl","O=[N+]([O-])c1c(cccc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[620,3075,"2-NITROANILINE","88-74-4","Nc1c(cccc1)[N+](=O)[O-]","Nc1c(cccc1)[N+](=O)[O-]","Nc1c(cccc1)[N+](=O)[O-]","Nc1c(cccc1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[621,3062,"2-NITROPHENOL","88-75-5","O=[N+]([O-])c1c(cccc1)O","O=[N+]([O-])c1c(cccc1)O","O=[N+]([O-])c1c(cccc1)O","O=[N+]([O-])c1c(cccc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[622,62,"DINOSEB","88-85-7","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[623,2941,"2,4,6-TRINITROCHLOROBENZENE","88-88-0","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[624,2969,"2,4,6-TRINITROPHENOL","88-89-1","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[625,3939,"1,2-BENZENEDICARBOXAMIDE","88-96-0","NC(=O)c1c(cccc1)C(N)=O","NC(=O)c1c(cccc1)C(N)=O","NC(=O)c1c(cccc1)C(N)=O","NC(=O)c1c(cccc1)C(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[626,3900,"O-PHTHALIC ACID","88-99-3","O=C(O)c1c(cccc1)C(=O)O","O=C(O)c1c(cccc1)C(=O)O","O=C(O)c1c(cccc1)C(=O)O","O=C(O)c1c(cccc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2728"]
[627,3424,"QUINOLINIC ACID","89-00-9","O=C(O)c1c(nccc1)C(=O)O","O=C(O)c1c(nccc1)C(=O)O","O=C(O)c1c(nccc1)C(=O)O","O=C(O)c1c(nccc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[628,282,"PYROMELLITIC ACID","89-05-4","O=C(O)c1c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O","O=C(O)c1c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O","O=C(O)c1c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O","O=C(O)c1c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[629,1887,"PTEROPTERIN","89-38-3","Nc1[nH]c2c(c(n1)=O)nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cn2","Nc1[nH]c2c(c(n1)=O)nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cn2","Nc1[nH]c2c(c(n1)=O)nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cn2",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[630,4001,"Benzene, 1,4-dimethoxy-2-nitro-","89-39-4","COc1cc(c(cc1)OC)[N+](=O)[O-]","COc1cc(c(cc1)OC)[N+](=O)[O-]","COc1cc(c(cc1)OC)[N+](=O)[O-]","COc1cc(c(cc1)OC)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[631,4290,"Benzeneacetic acid, 2-carboxy-","89-51-0","O=C(O)Cc1c(cccc1)C(=O)O","O=C(O)Cc1c(cccc1)C(=O)O","O=C(O)Cc1c(cccc1)C(=O)O","O=C(O)Cc1c(cccc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[632,3964,"5-METHYLSALICYLIC ACID","89-56-5","Cc1cc(c(cc1)O)C(=O)O","Cc1cc(c(cc1)O)C(=O)O","Cc1cc(c(cc1)O)C(=O)O","Cc1cc(c(cc1)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[633,2949,"2,5-DICHLORONITROBENZENE","89-61-2","O=[N+]([O-])c1c(ccc(c1)Cl)Cl","O=[N+]([O-])c1c(ccc(c1)Cl)Cl","O=[N+]([O-])c1c(ccc(c1)Cl)Cl","O=[N+]([O-])c1c(ccc(c1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[634,3040,"4-CHLORO-2-NITROANILINE","89-63-4","Nc1c(cc(cc1)Cl)[N+](=O)[O-]","Nc1c(cc(cc1)Cl)[N+](=O)[O-]","Nc1c(cc(cc1)Cl)[N+](=O)[O-]","Nc1c(cc(cc1)Cl)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[635,3005,"4-CHLORO-2-NITROPHENOL","89-64-5","O=[N+]([O-])c1c(ccc(c1)Cl)O","O=[N+]([O-])c1c(ccc(c1)Cl)O","O=[N+]([O-])c1c(ccc(c1)Cl)O","O=[N+]([O-])c1c(ccc(c1)Cl)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[636,3147,"ISOASCORBIC ACID","89-65-6","O=C1C(OC(=C1O)O)C(O)CO","O=C1C(C(C(O1)C(O)CO)=O)O","O=C1C(=C(C(O1)C(O)CO)O)O","O=C1C(=C(C(O1)C(O)CO)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Differences in counterions","33"]
[637,3228,"D-glycero-D-gulo-heptonic acid, .gamma.-lactone","89-67-8","O=C1C(C(C(O1)C(O)C(O)CO)O)O","O=C1C(C(C(O1)C(O)C(O)CO)O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[638,91,"chlorothymol","89-68-9","Cc1c(c(c(cc1)C(C)C)O)Cl","Cc1c(cc(c(c1)O)C(C)C)Cl","Cc1c(cc(c(c1)O)C(C)C)Cl","Cc1c(cc(c(c1)O)C(C)C)Cl",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[639,2934,"2,4,5-TRICHLORONITROBENZENE","89-69-0","O=[N+]([O-])c1c(cc(c(c1)Cl)Cl)Cl","O=[N+]([O-])c1c(cc(c(c1)Cl)Cl)Cl","O=[N+]([O-])c1c(cc(c(c1)Cl)Cl)Cl","O=[N+]([O-])c1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[640,224,"MENTHOL","89-78-1","CC1CC(C(CC1)C(C)C)O","CC1CC(C(CC1)C(C)C)O","CC1CC(C(CC1)C(C)C)O","CC1CC(C(CC1)C(C)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","2915, 3131"]
[641,187,"5-methyl-2-(1-methylethyl)-cyclohexanone(tr*)","89-80-5",null,"CC1CC(C(CC1)C(C)C)=O",null,"CC1CC(C(CC1)C(C)C)=O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed","4008"]
[642,136,"THYMOL","89-83-8","Cc1cc(c(cc1)C(C)C)O","Cc1cc(c(cc1)C(C)C)O","Cc1cc(c(cc1)C(C)C)O","Cc1cc(c(cc1)C(C)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[643,3484,"2,4-DIHYDROXYBENZOIC ACID","89-86-1","O=C(O)c1c(cc(cc1)O)O","O=C(O)c1c(cc(cc1)O)O","O=C(O)c1c(cc(cc1)O)O","O=C(O)c1c(cc(cc1)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[644,3638,"o-ethylphenol","90-00-6","CCOc1ccccc1","CCc1c(cccc1)O","CCc1c(cccc1)O","CCc1c(cccc1)O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[645,3573,"O-HYDROXYBENZYL ALCOHOL","90-01-7","OCc1c(cccc1)O","OCc1c(cccc1)O","OCc1c(cccc1)O","OCc1c(cccc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[646,3476,"O-HYDROXYBENZALDEHYDE","90-02-8","O=Cc1c(cccc1)O","O=Cc1c(cccc1)O","O=Cc1c(cccc1)O","O=Cc1c(cccc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[647,3607,"2-METHOXYANILINE","90-04-0","COc1c(cccc1)N","COc1c(cccc1)N","COc1c(cccc1)N","COc1c(cccc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[648,3570,"2-METHOXYPHENOL","90-05-1","COc1c(cccc1)O","COc1c(cccc1)O","COc1c(cccc1)O","COc1c(cccc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[649,284,"1-BROMONAPHTHALENE","90-11-9","Brc1c2c(ccc1)cccc2","Brc1c2c(ccc1)cccc2","Brc1c2c(ccc1)cccc2","Brc1c2c(ccc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[650,345,"1-METHYLNAPHTHALENE","90-12-0","Cc1c2c(ccc1)cccc2","Cc1c2c(ccc1)cccc2","Cc1c2c(ccc1)cccc2","Cc1c2c(ccc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[651,287,"1-CHLORONAPHTHALENE","90-13-1","Clc1c2c(ccc1)cccc2","Clc1c2c(ccc1)cccc2","Clc1c2c(ccc1)cccc2","Clc1c2c(ccc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[652,289,"1-IODONAPHTHALENE","90-14-2","Ic1c2c(ccc1)cccc2","Ic1c2c(ccc1)cccc2","Ic1c2c(ccc1)cccc2","Ic1c2c(ccc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[653,310,"1-NAPHTHOL","90-15-3","Oc1c2c(ccc1)cccc2","Oc1c2c(ccc1)cccc2","Oc1c2c(ccc1)cccc2","Oc1c2c(ccc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[654,1396,"1-NAPHTHALENAMINE, N-PHENYL-","90-30-2","c1ccc(cc1)Nc2c3c(ccc2)cccc3","c1ccc(cc1)Nc2c3c(ccc2)cccc3","c1ccc(cc1)Nc2c3c(ccc2)cccc3","c1ccc(cc1)Nc2c3c(ccc2)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[655,null,"L-SPARTEINE","90-39-1","C1CC2N(CC1)CC3C4N(CC2C3)CCCC4","C1CC2N(CC1)CC3C4N(CC2C3)CCCC4","C1CC2N(CC1)CC3C4N(C(C3)C2)CCCC4","C1CC2N(CC1)CC3C4N(C(C3)C2)CCCC4",2,2,0,"YES","NO",null,null,"Eliminate","-","Stereochemistry removed, Missing/ambiguous"]
[656,547,"2-PHENYLPHENOL","90-43-7","Oc1c(cccc1)-c2ccccc2","Oc1c(cccc1)-c2ccccc2","Oc1c(cccc1)-c2ccccc2","Oc1c(cccc1)-c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[657,3967,"A-HYDROXYPHENYLACETIC ACID","90-64-2",null,"O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"2415, 2416, 4147"]
[658,3660,"PENICILLIC ACID","90-65-3","C=C(C)C(=O)C(=CC(=O)O)OC",null,"C=C(C)C(=O)C(=CC(=O)O)OC","C=C(C)C(=O)C(=CC(=O)O)OC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[659,2744,"D-Gluconic acid, .delta.-lactone","90-80-2","O=C1C(C(C(C(O1)CO)O)O)O","O=C1C(C(C(C(O1)CO)O)O)O","O=C1C(C(C(C(O1)CO)O)O)O","O=C1C(C(C(C(O1)CO)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[660,4573,"4,4-bis(dimethylamino)benzophenone","90-94-8","CN(C)C1(CC=C(C=C1)C(=O)c2ccccc2)N(C)C","CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C",null,"CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C",2,1,1,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[661,1003,"BENZHYDROL","91-01-0","OC(c1ccccc1)c2ccccc2","OC(c1ccccc1)c2ccccc2","OC(c1ccccc1)c2ccccc2","OC(c1ccccc1)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[662,3658,"2,6-Dimethoxyphenol","91-10-1","COc1c(c(ccc1)OC)O","COc1c(c(ccc1)OC)O","COc1c(c(ccc1)OC)O","COc1c(c(ccc1)OC)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[663,3853,"1,2-DICYANOBENZENE","91-15-6","N#Cc1c(cccc1)C#N","N#Cc1c(cccc1)C#N","N#Cc1c(cccc1)C#N","N#Cc1c(cccc1)C#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[664,179,"DECAHYDRONAPHTHALENE","91-17-8","C1CC2C(CC1)CCCC2","C1CC2C(CC1)CCCC2","C1CC2C(CC1)CCCC2","C1CC2C(CC1)CCCC2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[665,3026,"PTERIDINE","91-18-9","c1nc2c(nc1)ncnc2","c1nc2c(nc1)ncnc2","c1nc2c(nc1)ncnc2","c1nc2c(nc1)ncnc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[666,3882,"QUINOXALINE","91-19-0","c1cc2c(cc1)nccn2","c1cc2c(cc1)nccn2","c1cc2c(cc1)nccn2","c1cc2c(cc1)nccn2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[667,300,"NAPHTHALENE","91-20-3","c1cc2c(cc1)cccc2","c1cc2c(cc1)cccc2","c1cc2c(cc1)cccc2","c1cc2c(cc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[668,4250,"QUINOLINE","91-22-5","c1cc2c(cc1)nccc2","c1cc2c(cc1)nccc2","c1cc2c(cc1)nccc2","c1cc2c(cc1)nccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[669,3536,"2-NITROANISOLE","91-23-6","COc1c(cccc1)[N+](=O)[O-]","COc1c(cccc1)[N+](=O)[O-]","COc1c(cccc1)[N+](=O)[O-]","COc1c(cccc1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[670,346,"2-METHYLNAPHTHALENE","91-57-6","Cc1cc2c(cc1)cccc2","Cc1cc2c(cc1)cccc2","Cc1cc2c(cc1)cccc2","Cc1cc2c(cc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[671,286,"2-CHLORONAPHTHALENE","91-58-7","Clc1cc2c(cc1)cccc2","Clc1cc2c(cc1)cccc2","Clc1cc2c(cc1)cccc2","Clc1cc2c(cc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[672,330,"2-NAPHTHYLAMINE","91-59-8","Nc1cc2c(cc1)cccc2","Nc1cc2c(cc1)cccc2","Nc1cc2c(cc1)cccc2","Nc1cc2c(cc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[673,4236,"COUMARIN","91-64-5","O=c1oc2c(cc1)cccc2","O=c1oc2c(cc1)cccc2","O=c1oc2c(cc1)cccc2","O=c1oc2c(cc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[674,143,"N,N-DIETHYLANILINE","91-66-7","CCN(CC)c1ccccc1","CCN(CC)c1ccccc1","CCN(CC)c1ccccc1","CCN(CC)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[675,1488,"Antazoline","91-75-8","c1ccc(cc1)CN(CC=2NCCN2)c3ccccc3","c1ccc(cc1)CN(CC=2NCCN2)c3ccccc3","c1ccc(cc1)CN(CC=2NCCN2)c3ccccc3","c1ccc(cc1)CN(CC=2NCCN2)c3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[676,4313,"BENZOGUANAMINE","91-76-9","Nc1nc(nc(n1)N)-c2ccccc2","Nc1nc(nc(n1)N)-c2ccccc2","Nc1nc(nc(n1)N)-c2ccccc2","Nc1nc(nc(n1)N)-c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[677,1194,"THENYLDIAMINE","91-79-2","CN(C)CCN(Cc1cscc1)c2ncccc2","CN(C)CCN(Cc1cscc1)c2ncccc2","CN(C)CCN(Cc1cscc1)c2ncccc2","CN(C)CCN(Cc1cscc1)c2ncccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[678,1195,"METHAPYRILENE","91-80-5","CN(C)CCN(Cc1sccc1)c2ncccc2","CN(C)CCN(Cc1sccc1)c2ncccc2","CN(C)CCN(Cc1sccc1)c2ncccc2","CN(C)CCN(Cc1sccc1)c2ncccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[679,1437,"Tripelennamine","91-81-6","CN(C)CCN(Cc1ccccc1)c2ncccc2","CN(C)CCN(Cc1ccccc1)c2ncccc2","CN(C)CCN(Cc1ccccc1)c2ncccc2","CN(C)CCN(Cc1ccccc1)c2ncccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[680,534,"3,3'-DICHLOROBENZIDINE","91-94-1","Nc1c(cc(cc1)-c2cc(c(cc2)N)Cl)Cl","Nc1c(cc(cc1)-c2cc(c(cc2)N)Cl)Cl","Nc1c(cc(cc1)-c2cc(c(cc2)N)Cl)Cl","Nc1c(cc(cc1)-c2cc(c(cc2)N)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[681,548,"4-PHENYLCATECHOL","92-05-7","Oc1c(cc(cc1)-c2ccccc2)O","Oc1c(cc(cc1)-c2ccccc2)O","Oc1c(cc(cc1)-c2ccccc2)O","Oc1c(cc(cc1)-c2ccccc2)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[682,1544,"m-TERPHENYL","92-06-8","c1ccc(cc1)-c2cc(ccc2)-c3ccccc3","c1ccc(cc1)-c2cc(ccc2)-c3ccccc3","c1ccc(cc1)-c2cc(ccc2)-c3ccccc3","c1ccc(cc1)-c2cc(ccc2)-c3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[683,1534,"TETRACENE","92-24-0","c1cc2c(cc1)cc3c(cc4c(c3)cccc4)c2","c1cc2c(cc1)cc3c(cc4c(c3)cccc4)c2","c1cc2c(cc1)cc3c(cc4c(c3)cccc4)c2","c1cc2c(cc1)cc3c(cc4c(c3)cccc4)c2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[684,1318,"Tolonium Chloride","92-31-9","Cc1c(cc2c(c1)nc3c(cc(cc3)N(C)C)[s+]2)N","Cc1c(cc2c(c1)nc3c(cc(cc3)N(C)C)[s+]2)N","Cc1c(cc2c(c1)nc3c(cc(cc3)N(C)C)[s+]2)N","Cc1c(cc2c(c1)nc3c(cc(cc3)N(C)C)[s+]2)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[685,315,"2,3-NAPHTHALENEDIOL","92-44-4","Oc1c(cc2c(c1)cccc2)O","Oc1c(cc2c(c1)cccc2)O","Oc1c(cc2c(c1)cccc2)O","Oc1c(cc2c(c1)cccc2)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[686,146,"ETHANOL, 2-(ETHYLPHENYLAMINO)-","92-50-2","CCN(CCO)c1ccccc1","CCN(CCO)c1ccccc1","CCN(CCO)c1ccccc1","CCN(CCO)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[687,531,"BIPHENYL","92-52-4","c1ccc(cc1)-c2ccccc2","c1ccc(cc1)-c2ccccc2","c1ccc(cc1)-c2ccccc2","c1ccc(cc1)-c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[688,985,"3,6-DIAMINOACRIDINE","92-62-6","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2","Nc1cc2c(cc1)cc3c(cc(cc3)N)n2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2772"]
[689,937,"4-BROMOBIPHENYL","92-66-0","Brc1ccc(cc1)-c2ccccc2","Brc1ccc(cc1)-c2ccccc2","Brc1ccc(cc1)-c2ccccc2","Brc1ccc(cc1)-c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[690,546,"P-PHENYLPHENOL","92-69-3","Oc1ccc(cc1)-c2ccccc2","Oc1ccc(cc1)-c2ccccc2","Oc1ccc(cc1)-c2ccccc2","Oc1ccc(cc1)-c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[691,959,"PHENOTHIAZINE","92-84-2","c1cc2c(cc1)Sc3c(N2)cccc3","c1cc2c(cc1)Sc3c(N2)cccc3","c1cc2c(cc1)Sc3c(N2)cccc3","c1cc2c(cc1)Sc3c(N2)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[692,578,"BENZIDINE","92-87-5","Nc1ccc(cc1)-c2ccc(cc2)N","Nc1ccc(cc1)-c2ccc(cc2)N","Nc1ccc(cc1)-c2ccc(cc2)N","Nc1ccc(cc1)-c2ccc(cc2)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[693,1128,"4-ACETYLBIPHENYL","92-91-1","CC(=O)c1ccc(cc1)-c2ccccc2","CC(=O)c1ccc(cc1)-c2ccccc2","CC(=O)c1ccc(cc1)-c2ccccc2","CC(=O)c1ccc(cc1)-c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[694,955,"P-NITROBIPHENYL","92-93-3","O=[N+]([O-])c1ccc(cc1)-c2ccccc2","O=[N+]([O-])c1ccc(cc1)-c2ccccc2","O=[N+]([O-])c1ccc(cc1)-c2ccccc2","O=[N+]([O-])c1ccc(cc1)-c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[695,1543,"1,1':4',1''-TERPHENYL","92-94-4","c1ccc(cc1)-c2ccc(cc2)-c3ccccc3","c1ccc(cc1)-c2ccc(cc2)-c3ccccc3","c1ccc(cc1)-c2ccc(cc2)-c3ccccc3","c1ccc(cc1)-c2ccc(cc2)-c3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[696,4036,"Benzaldehyde, 2,5-dimethoxy-","93-02-7","COc1cc(c(cc1)OC)C=O","COc1cc(c(cc1)OC)C=O","COc1cc(c(cc1)OC)C=O","COc1cc(c(cc1)OC)C=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[697,4048,"3,4-DIMETHOXYBENZOIC ACID","93-07-2","COc1c(cc(cc1)C(=O)O)OC","COc1c(cc(cc1)C(=O)O)OC","COc1c(cc(cc1)C(=O)O)OC","COc1c(cc(cc1)C(=O)O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[698,545,"1-(2-NAPHTHALENYL)ETHANONE","93-08-3","CC(=O)c1cc2c(cc1)cccc2","CC(=O)c1cc2c(cc1)cccc2","CC(=O)c1cc2c(cc1)cccc2","CC(=O)c1cc2c(cc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[699,518,"2-NAPHTHOIC ACID","93-09-4","O=C(O)c1cc2c(cc1)cccc2","O=C(O)c1cc2c(cc1)cccc2","O=C(O)c1cc2c(cc1)cccc2","O=C(O)c1cc2c(cc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[700,294,"2-Quinolinecarboxylic acid","93-10-7","O=C(O)c1nc2c(cc1)cccc2","O=C(O)c1nc2c(cc1)cccc2","O=C(O)c1nc2c(cc1)cccc2","O=C(O)c1nc2c(cc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[701,142,"1,2-Propanediol, 3-(2-methoxyphenoxy)-","93-14-1","COc1c(cccc1)OCC(O)CO","COc1c(cccc1)OCC(O)CO","COc1c(cccc1)OCC(O)CO","COc1c(cccc1)OCC(O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[702,419,"METHYLEUGENOL","93-15-2","C=CCc1cc(c(cc1)OC)OC","C=CCc1cc(c(cc1)OC)OC","C=CCc1cc(c(cc1)OC)OC","C=CCc1cc(c(cc1)OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[703,361,"Quinoline, 2,7-dimethyl-","93-37-8","Cc1cc2c(cc1)ccc(C)n2","Cc1cc2c(cc1)ccc(C)n2","Cc1cc2c(cc1)ccc(C)n2","Cc1cc2c(cc1)ccc(C)n2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[704,4024,"PROPIOPHENONE","93-55-0","CCC(=O)c1ccccc1","CCC(=O)c1ccccc1","CCC(=O)c1ccccc1","CCC(=O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[705,3951,"BENZOIC ACID, METHYL ESTER","93-58-3","COC(=O)c1ccccc1","COC(=O)c1ccccc1","COC(=O)c1ccccc1","COC(=O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[706,null,"NICOTINIC ACID, METHYL ESTER","93-60-7",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Organic counterion, Missing/ambiguous"]
[707,26,"MECOPROP","93-65-2","Cc1c(ccc(c1)Cl)OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"3814, 4103"]
[708,3693,"2-CHLORO-N,N-DIALLYLACETAMIDE","93-71-0","C=CCN(CC=C)C(=O)CCl","C=CCN(CC=C)C(=O)CCl","C=CCN(CC=C)C(=O)CCl","C=CCN(CC=C)C(=O)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[709,4244,"SILVEX","93-72-1","CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O","CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O","CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O","CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"4501"]
[710,3861,"2,4,5-TRICHLOROPHENOXYACETIC ACID","93-76-5","O=C(O)COc1c(cc(c(c1)Cl)Cl)Cl","O=C(O)COc1c(cc(c(c1)Cl)Cl)Cl","O=C(O)COc1c(cc(c(c1)Cl)Cl)Cl","O=C(O)COc1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[711,326,"2,4,5-TB","93-80-1","O=C(O)CCCOc1c(cc(c(c1)Cl)Cl)Cl","O=C(O)CCCOc1c(cc(c(c1)Cl)Cl)Cl","O=C(O)CCCOc1c(cc(c(c1)Cl)Cl)Cl","O=C(O)CCCOc1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[712,4410,"BENZENEETHANAMINE, N,b-DIMETHYL-","93-88-9",null,"CNCC(C)c1ccccc1",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[713,4028,"ETHYL BENZOATE","93-89-0","CCOC(=O)c1ccccc1","CCOC(=O)c1ccccc1","CCOC(=O)c1ccccc1","CCOC(=O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[714,15,"1,3-Butanedione, 1-phenyl-","93-91-4","CC(=O)CC(=O)c1ccccc1","CC(=O)CC(=O)c1ccccc1","CC(=O)CC(=O)c1ccccc1","CC(=O)CC(=O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[715,1103,"BENZOIC ACID, ANHYDRIDE","93-97-0","O=C(OC(=O)c1ccccc1)c2ccccc2","O=C(OC(=O)c1ccccc1)c2ccccc2","O=C(OC(=O)c1ccccc1)c2ccccc2","O=C(OC(=O)c1ccccc1)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[716,4067,"P-AMINOBENZOIC ACID, ETHYL ESTER","94-09-7","CCOC(=O)c1ccc(cc1)N","CCOC(=O)c1ccc(cc1)N","CCOC(=O)c1ccc(cc1)N","CCOC(=O)c1ccc(cc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[717,371,"2,4-D, ISOPROPYL ESTER","94-11-1","CC(C)OC(=O)COc1c(cc(cc1)Cl)Cl","CC(C)OC(=O)COc1c(cc(cc1)Cl)Cl","CC(C)OC(=O)COc1c(cc(cc1)Cl)Cl","CC(C)OC(=O)COc1c(cc(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[718,97,"PROPYL-P-AMINOBENZOATE","94-12-2","CCCOC(=O)c1ccc(cc1)N","CCCOC(=O)c1ccc(cc1)N",null,"CCCOC(=O)c1ccc(cc1)N",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[719,77,"p-hydroxypropylbenzoate","94-13-3",null,"CCCOC(=O)c1ccc(cc1)O",null,"CCCOC(=O)c1ccc(cc1)O",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[720,434,"Benzoic acid, 4-amino-, 2-methylpropyl ester","94-14-4","CC(C)COC(=O)c1ccc(cc1)N","CC(C)COC(=O)c1ccc(cc1)N","CC(C)COC(=O)c1ccc(cc1)N","CC(C)COC(=O)c1ccc(cc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[721,4398,"ethazole","94-19-9","CCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","CCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","CCOc1snc(n1)C(Cl)(Cl)Cl","CCc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",3,1,0,"NO","NO",4,0,"Maintain","High Reliability","Manual Check passed",""]
[722,89,"CHLORPROPAMIDE","94-20-2","CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl","CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl","CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl","CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[723,1367,"Parethoxycaine","94-23-5","CCOc1ccc(cc1)C(=O)OCCN(CC)CC","CCOc1ccc(cc1)C(=O)OCCN(CC)CC","CCOc1ccc(cc1)C(=O)OCCN(CC)CC","CCOc1ccc(cc1)C(=O)OCCN(CC)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[724,4444,"butyl-p-aminobenzoate","94-25-7",null,"CCCCOC(=O)c1ccc(cc1)N",null,"CCCCOC(=O)c1ccc(cc1)N",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[725,421,"p-hydroxybutylbenzoate","94-26-8",null,"CCCCOC(=O)c1ccc(cc1)O",null,"CCCCOC(=O)c1ccc(cc1)O",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[726,1107,"BENZOYL PEROXIDE","94-36-0","O=C(OOC(=O)c1ccccc1)c2ccccc2","O=C(OOC(=O)c1ccccc1)c2ccccc2","O=C(OOC(=O)c1ccccc1)c2ccccc2","O=C(OOC(=O)c1ccccc1)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[727,1493,"1-PIPEROYL-(E,E)-PIPERIDINE","94-62-2","O=C(C=CC=Cc1cc2c(cc1)OCO2)N3CCCCC3","O=C(C=CC=Cc1cc2c(cc1)OCO2)N3CCCCC3",null,"O=C(C=CC=Cc1cc2c(cc1)OCO2)N3CCCCC3",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[728,3553,"Pralidoxime iodide [USAN:INN:JAN]","94-63-3","CN1C=CC=CC1=C[NH+]=O","CN1C=CC=CC1=C[NH+]=O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[729,4302,"2-METHYL-4-CHLOROPHENOXYACETIC ACID","94-74-6","Cc1c(ccc(c1)Cl)OCC(=O)O","Cc1c(ccc(c1)Cl)OCC(=O)O","Cc1c(ccc(c1)Cl)OCC(=O)O","Cc1c(ccc(c1)Cl)OCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[730,3875,"2,4-DICHLOROPHENOXYACETIC ACID","94-75-7","O=C(O)COc1c(cc(cc1)Cl)Cl","O=C(O)COc1c(cc(cc1)Cl)Cl","O=C(O)COc1c(cc(cc1)Cl)Cl","O=C(O)COc1c(cc(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[731,4530,"1,3-Benzenediol, 4-(2-phenylethyl)-","94-77-9","Oc1cc(c(cc1)CCc2ccccc2)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[732,4475,"2,4-d,butylester","94-80-4",null,"CCCCOC(=O)COc1c(cc(cc1)Cl)Cl",null,"CCCCOC(=O)COc1c(cc(cc1)Cl)Cl",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[733,390,"MCPB","94-81-5","Cc1c(ccc(c1)Cl)OCCCC(=O)O","Cc1c(ccc(c1)Cl)OCCCC(=O)O","Cc1c(ccc(c1)Cl)OCCCC(=O)O","Cc1c(ccc(c1)Cl)OCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[734,7,"2,4-DB","94-82-6","O=C(O)CCCOc1c(cc(cc1)Cl)Cl","O=C(O)CCCOc1c(cc(cc1)Cl)Cl","O=C(O)CCCOc1c(cc(cc1)Cl)Cl","O=C(O)CCCOc1c(cc(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[735,1283,"2,4-DEB","94-83-7","O=C(OCCOc1c(cc(cc1)Cl)Cl)c2ccccc2","O=C(OCCOc1c(cc(cc1)Cl)Cl)c2ccccc2",null,"O=C(OCCOc1c(cc(cc1)Cl)Cl)c2ccccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[736,3818,"2-ETHYL-1,3-HEXANDIOL","94-96-2","CCCC(O)C(CC)CO","CCCC(O)C(CC)CO","CCCC(O)C(CC)CO","CCCC(O)C(CC)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[737,3713,"SULFALLATE","95-06-7","C=C(Cl)CSC(=S)N(CC)CC","C=C(Cl)CSC(=S)N(CC)CC","C=C(Cl)CSC(=S)N(CC)CC","C=C(Cl)CSC(=S)N(CC)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[738,1592,"triethyleneglycolbis(2-ethylbutyrate)","95-08-9","OCCOCCOCCO","CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC","CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC","CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[739,3050,"1H-BENZOTRIAZOLE","95-14-7","c1cc2c(cc1)[nH]nn2","c1cc2c(cc1)n[nH]n2","c1cc2c(cc1)[nH]nn2","c1cc2c(cc1)[nH]nn2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[740,3904,"BENZO(B)THIOPHENE","95-15-8","c1cc2c(cc1)scc2","c1cc2c(cc1)scc2","c1cc2c(cc1)scc2","c1cc2c(cc1)scc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[741,3431,"BENZOTHIAZOLE","95-16-9","c1cc2c(cc1)scn2","c1cc2c(cc1)scn2","c1cc2c(cc1)scn2","c1cc2c(cc1)scn2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[742,2393,"dimethylglyoxime","95-45-4","CON=C(C)C=NO","CC(N=O)=C(C)NO",null,"CC(=NO)C(C)=NO",2,1,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed, Name verified in PubChem",""]
[743,3620,"O-XYLENE","95-47-6","Cc1c(cccc1)C","Cc1c(cccc1)C","Cc1c(cccc1)C","Cc1c(cccc1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[744,3564,"O-CRESOL","95-48-7","Cc1c(cccc1)O","Cc1c(cccc1)O","Cc1c(cccc1)O","Cc1c(cccc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[745,3500,"2-CHLOROTOLUENE","95-49-8","Cc1c(cccc1)Cl","Cc1c(cccc1)Cl","Cc1c(cccc1)Cl","Cc1c(cccc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[746,2986,"1,2-DICHLOROBENZENE","95-50-1","Clc1c(cccc1)Cl","Clc1c(cccc1)Cl","Clc1c(cccc1)Cl","Clc1c(cccc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[747,3069,"2-CHLOROANILINE","95-51-2","Nc1c(cccc1)Cl","Nc1c(cccc1)Cl","Nc1c(cccc1)Cl","Nc1c(cccc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[748,3591,"O-TOLUIDINE","95-53-4","Cc1c(cccc1)N","Cc1c(cccc1)N","Cc1c(cccc1)N","Cc1c(cccc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[749,3127,"1,2-BENZENEDIAMINE","95-54-5","Nc1c(cccc1)N","Nc1c(cccc1)N","Nc1c(cccc1)N","Nc1c(cccc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[750,3113,"o-aminophenol","95-55-6","NOc1ccccc1","Nc1c(cccc1)O","Nc1c(cccc1)O","Nc1c(cccc1)O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[751,3043,"2-CHLOROPHENOL","95-57-8","Oc1c(cccc1)Cl","Oc1c(cccc1)Cl","Oc1c(cccc1)Cl","Oc1c(cccc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"4381"]
[752,4083,"1,2,4-TRIMETHYLBENZENE","95-63-6","Cc1cc(c(cc1)C)C","Cc1cc(c(cc1)C)C","Cc1cc(c(cc1)C)C","Cc1cc(c(cc1)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[753,3672,"3,4-XYLIDINE","95-64-7","Cc1c(cc(cc1)N)C","Cc1c(cc(cc1)N)C","Cc1c(cc(cc1)N)C","Cc1c(cc(cc1)N)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[754,3641,"3,4-DIMETHYLPHENOL","95-65-8","Cc1c(cc(cc1)O)C","Cc1c(cc(cc1)O)C","Cc1c(cc(cc1)O)C","Cc1c(cc(cc1)O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[755,3434,"3,4-DICHLOROTOLUENE","95-75-0","Cc1cc(c(cc1)Cl)Cl","Cc1cc(c(cc1)Cl)Cl","Cc1cc(c(cc1)Cl)Cl","Cc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[756,3039,"3,4-DICHLOROANILINE","95-76-1","Nc1cc(c(cc1)Cl)Cl","Nc1cc(c(cc1)Cl)Cl","Nc1cc(c(cc1)Cl)Cl","Nc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[757,2994,"3,4-DICHLOROPHENOL","95-77-2","Oc1cc(c(cc1)Cl)Cl","Oc1cc(c(cc1)Cl)Cl","Oc1cc(c(cc1)Cl)Cl","Oc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[758,3671,"2,5-DIMETHYLANILINE","95-78-3","Cc1cc(c(cc1)C)N","Cc1cc(c(cc1)C)N","Cc1cc(c(cc1)C)N","Cc1cc(c(cc1)C)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[759,3640,"2,5-DIMETHYLPHENOL","95-87-4","Cc1cc(c(cc1)C)O","Cc1cc(c(cc1)C)O","Cc1cc(c(cc1)C)O","Cc1cc(c(cc1)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[760,2734,"ethyloxalate","95-92-1","CCOC(=O)C(=O)O","CCOC(=O)C(=O)OCC","CCOC(=O)C(=O)OCC","CCOC(=O)C(=O)OCC",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[761,112,"1,2,4,5-TETRAMETHYLBENZENE","95-93-2","Cc1c(cc(c(c1)C)C)C","Cc1c(cc(c(c1)C)C)C","Cc1c(cc(c(c1)C)C)C","Cc1c(cc(c(c1)C)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[762,2936,"1,2,4,5-TETRACHLOROBENZENE","95-94-3","Clc1c(cc(c(c1)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[763,2959,"2,4,5-TRICHLOROPHENOL","95-95-4","Oc1c(cc(c(c1)Cl)Cl)Cl","Oc1c(cc(c(c1)Cl)Cl)Cl","Oc1c(cc(c(c1)Cl)Cl)Cl","Oc1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[764,3948,"STYRENE OXIDE","96-09-3","c1ccc(cc1)C2OC2","c1ccc(cc1)C2OC2","c1ccc(cc1)C2OC2","c1ccc(cc1)C2OC2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[765,2084,"1,2-DIBROMO-3-CHLOROPROPANE","96-12-8","ClCC(Br)CBr","ClCC(Br)CBr","ClCC(Br)CBr","ClCC(Br)CBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[766,2112,"2,3-DIBROMO-1-PROPANOL","96-13-9","OCC(Br)CBr","OCC(Br)CBr","OCC(Br)CBr","OCC(Br)CBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[767,2859,"3-METHYLPENTANE","96-14-0","CCC(C)CC","CCC(C)CC","CCC(C)CC","CCC(C)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[768,2090,"1,2,3-TRICHLOROPROPANE","96-18-4","ClCC(Cl)CCl","ClCC(Cl)CCl","ClCC(Cl)CCl","ClCC(Cl)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[769,2256,"2-Amino-1-butanol","96-20-8","CCC(N)CO","CCC(N)CO","CCC(N)CO","CCC(N)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[770,2485,"3-PENTANONE","96-22-0","CCC(=O)CC","CCC(=O)CC","CCC(=O)CC","CCC(=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2443"]
[771,2119,"1,3-DICHLORO-2-PROPANOL","96-23-1","OC(CCl)CCl","OC(CCl)CCl","OC(CCl)CCl","OC(CCl)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[772,2159,"3-CHLORO-1,2-PROPANEDIOL","96-24-2","OCC(O)CCl","OCC(O)CCl","OCC(O)CCl","OCC(O)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[773,2444,"2-BUTANONE OXIME","96-29-7","CCC(C)=NO","CCC(C)=NO","CCC(C)=NO","CCC(C)=NO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[774,2338,"METHYL ACRYLATE","96-33-3","C=CC(=O)OC","C=CC(=O)OC","C=CC(=O)OC",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[775,2096,"METHYL CHLOROACETATE","96-34-4","COC(=O)CCl","COC(=O)CCl","COC(=O)CCl","COC(=O)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[776,2769,"METHYLCYCLOPENTANE","96-37-7","CC1CCCC1","CC1CCCC1","CC1CCCC1","CC1CCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[777,2133,"ETHYLENETHIOUREA","96-45-7","S=C1NCCN1","S=C1NCCN1","S=C1NCCN1","S=C1NCCN1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[778,2490,"2-METHYLTETRAHYDROFURAN","96-47-9","CC1OCCC1","CC1OCCC1","CC1OCCC1","CC1OCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[779,2341,"GAMMA-BUTYROLACTONE","96-48-0","O=C1OCCC1","O=C1OCCC1","O=C1OCCC1","O=C1OCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[780,2081,"1,3-DIOXOLAN-2-ONE","96-49-1","O=C1OCCO1","O=C1OCCO1","O=C1OCCO1","O=C1OCCO1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[781,3304,"SOMAN","96-64-0","CC(OP(C)(=O)F)C(C)(C)C","CC(OP(C)(=O)F)C(C)(C)C","CC(OP(C)(=O)F)C(C)(C)C","CC(OP(C)(=O)F)C(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[782,1218,"2,4-DI-T-BUTYLPHENOL","96-76-4","CC(C)(C)c1cc(c(cc1)O)C(C)(C)C","CC(C)(C)c1cc(c(cc1)O)C(C)(C)C","CC(C)(C)c1cc(c(cc1)O)C(C)(C)C","CC(C)(C)c1cc(c(cc1)O)C(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[783,3833,"2-(BIS(1-METHYLETHYL)AMINO)ETHANOL","96-80-0","CC(C)N(CCO)C(C)C","CC(C)N(CCO)C(C)C","CC(C)N(CCO)C(C)C","CC(C)N(CCO)C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[784,3234,"L-Valine, N-acetyl-","96-81-1","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem","4174, 3322"]
[785,374,"Iopanoic acid","96-83-3","CCC(Cc1c(c(c(cc1I)I)N)I)C(=O)O","CCC(Cc1c(c(c(cc1I)I)N)I)C(=O)O","CCC(Cc1c(c(c(cc1I)I)N)I)C(=O)O","CCC(Cc1c(c(c(cc1I)I)N)I)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[786,null,"2-piperidinecarboxamide,n-(2,6-dimethylphenyl)-","96-88-8","Cc1c(c(ccc1)C)NC(=O)C2NCCCC2","Cc1c(c(ccc1)C)NC(=O)C2N(CCCC2)C",null,"Cc1c(c(ccc1)C)NC(=O)C2N(CCCC2)C",2,1,1,"NO","NO",2,1,"Eliminate","-","Manual Check failed"]
[787,3053,"2-AMINO-4,6-DINITROPHENOL","96-91-3","Nc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","Nc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","Nc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","Nc1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[788,3555,"BENZENAMINE, 4-METHOXY-2-NITRO-","96-96-8","COc1cc(c(cc1)N)[N+](=O)[O-]","COc1cc(c(cc1)N)[N+](=O)[O-]","COc1cc(c(cc1)N)[N+](=O)[O-]","COc1cc(c(cc1)N)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[789,3428,"5-NITROSALICYLIC ACID","96-97-9","O=C(O)c1c(ccc(c1)[N+](=O)[O-])O","O=C(O)c1c(ccc(c1)[N+](=O)[O-])O","O=C(O)c1c(ccc(c1)[N+](=O)[O-])O",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[790,2962,"2,4-DINITROCHLOROBENZENE","97-00-7","O=[N+]([O-])c1cc(c(cc1)Cl)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)Cl)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)Cl)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)Cl)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[791,85,"DICHLOFENTHION","97-17-6","CCOP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl","CCOP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl","CCOP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl","CCOP(=S)(OCC)Oc1c(cc(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[792,4499,"phenol,2,2'-thiobis4,6-dichloro-","97-18-7",null,"Oc1c(cc(cc1Cl)Cl)Sc2c(c(cc(c2)Cl)Cl)O",null,"Oc1c(cc(cc1Cl)Cl)Sc2c(c(cc(c2)Cl)Cl)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[793,4501,"phenol,2,2'-methylenebis4-chloro-","97-23-4",null,"Oc1c(cc(cc1)Cl)Cc2c(ccc(c2)Cl)O",null,"Oc1c(cc(cc1)Cl)Cc2c(ccc(c2)Cl)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[794,3283,".alpha.-D-Glucopyranoside, methyl","97-30-3","COC1C(C(C(C(O1)CO)O)O)O","COC1C(C(C(C(O1)CO)O)O)O",null,"COC1C(C(C(C(O1)CO)O)O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[795,72,"EUGENOL","97-53-0","C=CCc1cc(c(cc1)O)OC","C=CCc1cc(c(cc1)O)OC","C=CCc1cc(c(cc1)O)OC","C=CCc1cc(c(cc1)O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[796,1156,"o-aminoazotoluene","97-56-3","Cc1c(cccc1)N=NC2(C(C=CC=C2)C)N","Cc1c(ccc(c1)N=Nc2c(cccc2)C)N","Cc1c(ccc(c1)N=Nc2c(cccc2)C)N","Cc1c(ccc(c1)N=Nc2c(cccc2)C)N",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[797,2328,"ALLANTOIN","97-59-6","NC(=O)NC1C(NC(N1)=O)=O","NC(=O)NC1C(NC(N1)=O)=O","NC(=O)NC1C(NC(N1)=O)=O","NC(=O)NC1C(NC(N1)=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[798,2811,"PENTANOIC ACID, 2-METHYL-","97-61-0","CCCC(C)C(=O)O","CCCC(C)C(=O)O","CCCC(C)C(=O)O","CCCC(C)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[799,2723,"ETHYL METHACRYLATE","97-63-2","C=C(C)C(=O)OCC","C=C(C)C(=O)OCC","C=C(C)C(=O)OCC","C=C(C)C(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[800,2508,"ETHYL LACTATE","97-64-3","CCOC(=O)C(C)O","CCOC(=O)C(C)O","CCOC(=O)C(C)O","CCOC(=O)C(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[801,2645,"Butanedioic acid, methylene-","97-65-4","C=C(CC(=O)O)C(=O)O","C=C(CC(=O)O)C(=O)O","C=C(CC(=O)O)C(=O)O","C=C(CC(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1903, 1902"]
[802,3773,"ISOBUTYL ISOBUTYRATE","97-85-8","CC(C)COC(=O)C(C)C","CC(C)COC(=O)C(C)C","CC(C)COC(=O)C(C)C","CC(C)COC(=O)C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[803,3719,"METHACRYLIC ACID, I-BUTYL ESTER","97-86-9",null,"C=C(C)C(=O)OCC(C)C","C=C(C)C(=O)OCC(C)C","C=C(C)C(=O)OCC(C)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[804,3718,"METHACRYLIC ACID, N-BUTYL ESTER","97-88-1",null,"C=C(C)C(=O)OCCCC","C=C(C)C(=O)OCCCC","C=C(C)C(=O)OCCCC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[805,2878,"2-ETHYL-1-BUTANOL","97-95-0","CCC(CC)CO","CCC(CC)CO","CCC(CC)CO","CCC(CC)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[806,2505,"TETRAHYDROFURFURYL ALCOHOL","97-99-4","OCC1OCCC1","OCC1OCCC1","OCC1OCCC1","OCC1OCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[807,2643,"2-HYDROXYMETHYLFURAN","98-00-0","OCc1occc1","OCc1occc1","OCc1occc1","OCc1occc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[808,2608,"FUFURAL","98-01-1",null,"O=Cc1occc1","O=Cc1occc1","O=Cc1occc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[809,106,"T-BUTYLBENZENE","98-06-6","CC(C)(C)c1ccccc1","CC(C)(C)c1ccccc1","CC(C)(C)c1ccccc1","CC(C)(C)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[810,3389,"BENZOTRICHLORIDE","98-07-7","ClC(Cl)(Cl)c1ccccc1","ClC(Cl)(Cl)c1ccccc1","ClC(Cl)(Cl)c1ccccc1","ClC(Cl)(Cl)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[811,3400,"BENZOTRIFLUORIDE","98-08-8","FC(F)(F)c1ccccc1","FC(F)(F)c1ccccc1","FC(F)(F)c1ccccc1","FC(F)(F)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[812,3118,"BENZENESULFONAMIDE","98-10-2","NS(=O)(=O)c1ccccc1","NS(=O)(=O)c1ccccc1","NS(=O)(=O)c1ccccc1","NS(=O)(=O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[813,3449,"3-TRIFLUOROMETHYLANILINE","98-16-8","Nc1cc(ccc1)C(F)(F)F","Nc1cc(ccc1)C(F)(F)F","Nc1cc(ccc1)C(F)(F)F","Nc1cc(ccc1)C(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[814,139,"1,2-Benzenediol, 4-(1,1-dimethylethyl)-","98-29-3","CC(C)(C)c1cc(c(cc1)O)O","CC(C)(C)c1cc(c(cc1)O)O","CC(C)(C)c1cc(c(cc1)O)O","CC(C)(C)c1cc(c(cc1)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[815,3121,"2-Aminophenol-4-sulfonic acid","98-37-3","Nc1c(ccc(c1)S(=O)(=O)O)O","Nc1c(ccc(c1)S(=O)(=O)O)O","Nc1c(ccc(c1)S(=O)(=O)O)O","Nc1c(ccc(c1)S(=O)(=O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[816,3615,"Benzenesulfonic acid, 3-amino-4-methoxy-","98-42-0","COc1c(cc(cc1)S(=O)(=O)O)N","COc1c(cc(cc1)S(=O)(=O)O)N","COc1c(cc(cc1)S(=O)(=O)O)N","COc1c(cc(cc1)S(=O)(=O)O)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[817,3549,"Benzoic acid, 2-amino-4-sulfo-","98-43-1","Nc1c(ccc(c1)S(=O)(=O)O)C(=O)O","Nc1c(ccc(c1)S(=O)(=O)O)C(=O)O","Nc1c(ccc(c1)S(=O)(=O)O)C(=O)O","Nc1c(ccc(c1)S(=O)(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[818,222,"Cyclohexanol, 4-(1,1-dimethylethyl)-","98-52-2","CC(C)(C)C1CCC(CC1)O","CC(C)(C)C1CCC(CC1)O","CC(C)(C)C1CCC(CC1)O","CC(C)(C)C1CCC(CC1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[819,131,"P-T-BUTYLYPHENOL","98-54-4",null,"CC(C)(C)c1ccc(cc1)O","CC(C)(C)c1ccc(cc1)O","CC(C)(C)c1ccc(cc1)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[820,189,"ALPHA-TERPINEOL","98-55-5","CC=1CCC(CC1)C(C)(C)O","CC=1CCC(CC1)C(C)(C)O","CC=1CCC(CC1)C(C)(C)O","CC=1CCC(CC1)C(C)(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[821,3001,"Benzenesulfonyl chloride, 4-iodo-","98-61-3","O=S(=O)(Cl)c1ccc(cc1)I","O=S(=O)(Cl)c1ccc(cc1)I","O=S(=O)(Cl)c1ccc(cc1)I","O=S(=O)(Cl)c1ccc(cc1)I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[822,416,"BENZOIC ACID, 4-(TERT-BUTYL)-","98-73-7","CC(C)(C)c1ccc(cc1)C(=O)O","CC(C)(C)c1ccc(cc1)C(=O)O","CC(C)(C)c1ccc(cc1)C(=O)O","CC(C)(C)c1ccc(cc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[823,2653,"L-Proline, 5-oxo-","98-79-3","O=C1NC(CC1)C(=O)O","O=C1NC(CC1)C(=O)O","O=C1NC(CC1)C(=O)O","O=C1NC(CC1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[824,4086,"CUMENE","98-82-8","CC(C)c1ccccc1","CC(C)c1ccccc1","CC(C)c1ccccc1","CC(C)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[825,4007,"ALPHA-METHYLSTYRENE","98-83-9","C=C(C)c1ccccc1","C=C(C)c1ccccc1","C=C(C)c1ccccc1","C=C(C)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[826,3677,"BENZENEMETHANAMINE, .alpha.-METHYL-","98-84-0","CC(N)c1ccccc1","CC(N)c1ccccc1","CC(N)c1ccccc1","CC(N)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[827,3646,"ALPHA-METHYLBENZYL ALCOHOL","98-85-1","CC(O)c1ccccc1","CC(O)c1ccccc1","CC(O)c1ccccc1","CC(O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2919"]
[828,3949,"ACETOPHENONE","98-86-2","CC(=O)c1ccccc1","CC(=O)c1ccccc1","CC(=O)c1ccccc1","CC(=O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[829,3435,"(DICHLOROMETHYL)BENZENE","98-87-3","ClC(Cl)c1ccccc1","ClC(Cl)c1ccccc1","ClC(Cl)c1ccccc1","ClC(Cl)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[830,3210,"CYCLOHEXANECARBOXYLIC ACID","98-89-5","O=C(O)C1CCCCC1","O=C(O)C1CCCCC1","O=C(O)C1CCCCC1","O=C(O)C1CCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[831,3071,"NICOTINAMIDE","98-92-0","NC(=O)c1cnccc1","NC(=O)c1cnccc1","NC(=O)c1cnccc1","NC(=O)c1cnccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[832,3058,"NITROBENZENE","98-95-3","O=[N+]([O-])c1ccccc1","O=[N+]([O-])c1ccccc1","O=[N+]([O-])c1ccccc1",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[833,2615,"2-PYRAZINECARBOXAMIDE","98-96-4","NC(=O)c1nccnc1","NC(=O)c1nccnc1","NC(=O)c1nccnc1","NC(=O)c1nccnc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[834,3057,"PICOLINIC ACID","98-98-6","O=C(O)c1ncccc1","O=C(O)c1ncccc1","O=C(O)c1ncccc1","O=C(O)c1ncccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[835,3955,"M-TOLUIC ACID","99-04-7","Cc1cc(ccc1)C(=O)O","Cc1cc(ccc1)C(=O)O","Cc1cc(ccc1)C(=O)O","Cc1cc(ccc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[836,3529,"3-AMINOBENZOIC ACID","99-05-8","Nc1cc(ccc1)C(=O)O","Nc1cc(ccc1)C(=O)O","Nc1cc(ccc1)C(=O)O","Nc1cc(ccc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[837,3480,"M-HYDROXYBENZOIC ACID","99-06-9","O=C(O)c1cc(ccc1)O","O=C(O)c1cc(ccc1)O","O=C(O)c1cc(ccc1)O","O=C(O)c1cc(ccc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[838,3527,"3-NITROTOLUENE","99-08-1","Cc1cc(ccc1)[N+](=O)[O-]","Cc1cc(ccc1)[N+](=O)[O-]","Cc1cc(ccc1)[N+](=O)[O-]","Cc1cc(ccc1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[839,3074,"3-NITROANILINE","99-09-2","Nc1cc(ccc1)[N+](=O)[O-]","Nc1cc(ccc1)[N+](=O)[O-]","Nc1cc(ccc1)[N+](=O)[O-]","Nc1cc(ccc1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[840,3148,"1,2,3-Propanetricarboxylic acid","99-14-9","O=C(O)CC(CC(=O)O)C(=O)O","O=C(O)CC(CC(=O)O)C(=O)O","O=C(O)CC(CC(=O)O)C(=O)O","O=C(O)CC(CC(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[841,1698,"POPULIN","99-17-2","O=C(OCC1C(C(C(C(O1)Oc2c(cccc2)CO)O)O)O)c3ccccc3","O=C(OCC1C(C(C(C(O1)Oc2c(cccc2)CO)O)O)O)c3ccccc3","O=C(OCC1C(C(C(C(O1)Oc2c(cccc2)CO)O)O)O)c3ccccc3","O=C(OCC1C(C(C(C(O1)Oc2c(cccc2)CO)O)O)O)c3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[842,3978,"METHYL GALLATE","99-24-1","COC(=O)c1cc(c(c(c1)O)O)O","COC(=O)c1cc(c(c(c1)O)O)O","COC(=O)c1cc(c(c(c1)O)O)O","COC(=O)c1cc(c(c(c1)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[843,2987,"2,6-DICHLORO-4-NITROANILINE","99-30-9","Nc1c(cc(cc1Cl)[N+](=O)[O-])Cl","Nc1c(cc(cc1Cl)[N+](=O)[O-])Cl","Nc1c(cc(cc1Cl)[N+](=O)[O-])Cl","Nc1c(cc(cc1Cl)[N+](=O)[O-])Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[844,3376,"4-OXO-4H-PYRAN-2,6-DICARBOXYLIC ACID","99-32-1","O=C(O)c1oc(cc(c1)=O)C(=O)O","O=C(O)c1oc(cc(c1)=O)C(=O)O","O=C(O)c1oc(cc(c1)=O)C(=O)O","O=C(O)c1oc(cc(c1)=O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[845,3374,"3,5-DINITROBENZOIC ACID","99-34-3","O=C(O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[846,2968,"1,3,5-TRINITROBENZENE","99-35-4","O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[847,135,"CARVONE","99-49-0","C=C(C)C1CC(C(=CC1)C)=O","C=C(C)C1CC(C(=CC1)C)=O","C=C(C)C1CC(C(=CC1)C)=O","C=C(C)C1CC(C(=CC1)C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1907, 3146, 3758"]
[848,3487,"3,4-DIHYDROXYBENZOIC ACID","99-50-3","O=C(O)c1cc(c(cc1)O)O","O=C(O)c1cc(c(cc1)O)O","O=C(O)c1cc(c(cc1)O)O","O=C(O)c1cc(c(cc1)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[849,2951,"3,4-DICHLORONITROBENZENE","99-54-7","O=[N+]([O-])c1cc(c(cc1)Cl)Cl","O=[N+]([O-])c1cc(c(cc1)Cl)Cl","O=[N+]([O-])c1cc(c(cc1)Cl)Cl","O=[N+]([O-])c1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[850,3078,"2-AMINO-4-NITROPHENOL","99-57-0","Nc1c(ccc(c1)[N+](=O)[O-])O","Nc1c(ccc(c1)[N+](=O)[O-])O","Nc1c(ccc(c1)[N+](=O)[O-])O","Nc1c(ccc(c1)[N+](=O)[O-])O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[851,3556,"2-METHOXY-5-NITROANILINE","99-59-2","COc1c(cc(cc1)[N+](=O)[O-])N","COc1c(cc(cc1)[N+](=O)[O-])N","COc1c(cc(cc1)[N+](=O)[O-])N","COc1c(cc(cc1)[N+](=O)[O-])N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[852,3416,"M-NITROBENZALDEHYDE","99-61-6","O=Cc1cc(ccc1)[N+](=O)[O-]","O=Cc1cc(ccc1)[N+](=O)[O-]","O=Cc1cc(ccc1)[N+](=O)[O-]","O=Cc1cc(ccc1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[853,3018,"1,3-DINITROBENZENE","99-65-0","O=[N+]([O-])c1cc(ccc1)[N+](=O)[O-]","O=[N+]([O-])c1cc(ccc1)[N+](=O)[O-]","O=[N+]([O-])c1cc(ccc1)[N+](=O)[O-]","O=[N+]([O-])c1cc(ccc1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[854,3771,"VALPROIC ACID","99-66-1","CCCC(CCC)C(=O)O","CCCC(CCC)C(=O)O","CCCC(CCC)C(=O)O","CCCC(CCC)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[855,134,"P-(SEC-BUTYL)PHENOL","99-71-8","CCC(C)c1ccc(cc1)O","CCC(C)c1ccc(cc1)O","CCC(C)c1ccc(cc1)O","CCC(C)c1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[856,3960,"4-hydroxymethylbenzoate","99-76-3",null,"COC(=O)c1ccc(cc1)O",null,"COC(=O)c1ccc(cc1)O",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[857,216,"P-MENTHANE","99-82-1","CC1CCC(CC1)C(C)C","CC1CCC(CC1)C(C)C","CC1CCC(CC1)C(C)C","CC1CCC(CC1)C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[858,155,"GAMMA-TERPINENE","99-85-4","CC=1CC=C(CC1)C(C)C","CC=1CC=C(CC1)C(C)C","CC=1CC=C(CC1)C(C)C","CC=1CC=C(CC1)C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1542, 2258, 3688"]
[859,114,"P-CYMENE","99-87-6","Cc1ccc(cc1)C(C)C","Cc1ccc(cc1)C(C)C","Cc1ccc(cc1)C(C)C","Cc1ccc(cc1)C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[860,3988,"4-AMINOACETOPHENONE","99-92-3","CC(=O)c1ccc(cc1)N","CC(=O)c1ccc(cc1)N","CC(=O)c1ccc(cc1)N","CC(=O)c1ccc(cc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[861,3953,"P-HYDROXYACETOPHENONE","99-93-4","CC(=O)c1ccc(cc1)O","CC(=O)c1ccc(cc1)O","CC(=O)c1ccc(cc1)O","CC(=O)c1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[862,3954,"P-TOLUIC ACID","99-94-5","Cc1ccc(cc1)C(=O)O","Cc1ccc(cc1)C(=O)O","Cc1ccc(cc1)C(=O)O","Cc1ccc(cc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[863,3481,"P-HYDROXYBENZOIC ACID","99-96-7","O=C(O)c1ccc(cc1)O","O=C(O)c1ccc(cc1)O","O=C(O)c1ccc(cc1)O","O=C(O)c1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[864,4113,"N,N,4-TRIMETHYLANILINE","99-97-8","Cc1ccc(cc1)N(C)C","Cc1ccc(cc1)N(C)C","Cc1ccc(cc1)N(C)C","Cc1ccc(cc1)N(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[865,3526,"P-NITROTOLUENE","99-99-0","Cc1ccc(cc1)[N+](=O)[O-]","Cc1ccc(cc1)[N+](=O)[O-]","Cc1ccc(cc1)[N+](=O)[O-]","Cc1ccc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[866,3002,"P-CHLORONITROBENZENE","100-00-5","O=[N+]([O-])c1ccc(cc1)Cl","O=[N+]([O-])c1ccc(cc1)Cl","O=[N+]([O-])c1ccc(cc1)Cl","O=[N+]([O-])c1ccc(cc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[867,3073,"4-NITROANILINE","100-01-6","Nc1ccc(cc1)[N+](=O)[O-]","Nc1ccc(cc1)[N+](=O)[O-]","Nc1ccc(cc1)[N+](=O)[O-]","Nc1ccc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[868,3061,"4-NITROPHENOL","100-02-7","O=[N+]([O-])c1ccc(cc1)O","O=[N+]([O-])c1ccc(cc1)O","O=[N+]([O-])c1ccc(cc1)O","O=[N+]([O-])c1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[869,3958,"P-METHOXYBENZOIC ACID","100-09-4","COc1ccc(cc1)C(=O)O","COc1ccc(cc1)C(=O)O","COc1ccc(cc1)C(=O)O","COc1ccc(cc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2894"]
[870,3535,"P-NITROANISOLE","100-17-4","COc1ccc(cc1)[N+](=O)[O-]","COc1ccc(cc1)[N+](=O)[O-]","COc1ccc(cc1)[N+](=O)[O-]","COc1ccc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[871,3898,"TEREPHTHALIC ACID","100-21-0","O=C(O)c1ccc(cc1)C(=O)O","O=C(O)c1ccc(cc1)C(=O)O","O=C(O)c1ccc(cc1)C(=O)O","O=C(O)c1ccc(cc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[872,3017,"P-DINITROBENZENE","100-25-4","O=[N+]([O-])c1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])c1ccc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[873,3420,"PYRIDINE-2,5-DICARBOXYLIC ACID","100-26-5","O=C(O)c1cnc(cc1)C(=O)O","O=C(O)c1cnc(cc1)C(=O)O","O=C(O)c1cnc(cc1)C(=O)O","O=C(O)c1cnc(cc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[874,2915,"2-(DIETHYLAMINO)-ETHANOL","100-37-8","CCN(CC)CCO","CCN(CC)CCO","CCN(CC)CCO","CCN(CC)CCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[875,3692,"4-VINYLCYCLOHEXENE","100-40-3","C=CC1CCC=CC1","C=CC1CCC=CC1","C=CC1CCC=CC1","C=CC1CCC=CC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[876,3617,"ETHYLBENZENE","100-41-4","CCc1ccccc1","CCc1ccccc1","CCc1ccccc1","CCc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[877,3926,"STYRENE","100-42-5","C=Cc1ccccc1","C=Cc1ccccc1","C=Cc1ccccc1","C=Cc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[878,3517,"4-VINYLPYRIDINE","100-43-6","C=Cc1ccncc1","C=Cc1ccncc1","C=Cc1ccncc1","C=Cc1ccncc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[879,3501,"ALPHA-CHLOROTOLUENE","100-44-7","ClCc1ccccc1","ClCc1ccccc1","ClCc1ccccc1","ClCc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[880,3595,"BENZYLAMINE","100-46-9","NCc1ccccc1","NCc1ccccc1","NCc1ccccc1","NCc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[881,3408,"BENZONITRILE","100-47-0","N#Cc1ccccc1","N#Cc1ccccc1","N#Cc1ccccc1","N#Cc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[882,3016,"4-CYANOPYRIDINE","100-48-1","N#Cc1ccncc1","N#Cc1ccncc1","N#Cc1ccncc1","N#Cc1ccncc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[883,3566,"BENZYL ALCOHOL","100-51-6","OCc1ccccc1","OCc1ccccc1","OCc1ccccc1","OCc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[884,3473,"BENZALDEHYDE","100-52-7","O=Cc1ccccc1","O=Cc1ccccc1","O=Cc1ccccc1","O=Cc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[885,3015,"3-CYANOPYRIDINE","100-54-9","N#Cc1cnccc1","N#Cc1cnccc1","N#Cc1cnccc1","N#Cc1cnccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[886,3115,"3-PYRIDINEMETHANOL","100-55-0","OCc1cnccc1","OCc1cnccc1","OCc1cnccc1","OCc1cnccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[887,null,"PHENYLMERCURIC HYDROXIDE","100-57-2",null,null,"O[Hg]c1ccccc1","O[Hg]c1ccccc1",2,0,2,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[888,3594,"N-METHYLANILINE","100-61-8","CNc1ccccc1","CNc1ccccc1","CNc1ccccc1","CNc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[889,3131,"PHENYL HYDRAZINE","100-63-0","NNc1ccccc1","NNc1ccccc1","NNc1ccccc1","NNc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[890,2761,"CYCLOHEXANONE OXIME","100-64-1","ON=C1CCCCC1","ON=C1CCCCC1","ON=C1CCCCC1","ON=C1CCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[891,3116,"PHENYLHYDROXYLAMINE","100-65-2","ONc1ccccc1","ONc1ccccc1","ONc1ccccc1","ONc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[892,3565,"ANISOLE","100-66-3","COc1ccccc1","COc1ccccc1","COc1ccccc1","COc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[893,3580,"THIOANISOLE","100-68-5","CSc1ccccc1","CSc1ccccc1","CSc1ccccc1","CSc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[894,3518,"2-VINYLPYRIDINE","100-69-6","C=Cc1ncccc1","C=Cc1ncccc1","C=Cc1ncccc1","C=Cc1ncccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[895,3584,"2-ETHYLPYRIDINE","100-71-0","CCc1ncccc1","CCc1ncccc1","CCc1ncccc1","CCc1ncccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[896,2826,"TETRAHYDROPYRAN-2-METHANOL","100-72-1","OCC1OCCCC1","OCC1OCCCC1",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[897,2846,"4-ETHYLMORPHOLINE","100-74-3","CCN1CCOCC1","CCN1CCOCC1","CCN1CCOCC1","CCN1CCOCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[898,2474,"N-NITROSOPIPERIDINE","100-75-4","O=NN1CCCCC1","O=NN1CCCCC1","O=NN1CCCCC1","O=NN1CCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[899,4005,"M-METHYLSTYRENE","100-80-1","C=Cc1cc(ccc1)C","C=Cc1cc(ccc1)C","C=Cc1cc(ccc1)C","C=Cc1cc(ccc1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[900,3475,"3-HYDROXYBENZALDEHYDE","100-83-4","O=Cc1cc(ccc1)O","O=Cc1cc(ccc1)O","O=Cc1cc(ccc1)O","O=Cc1cc(ccc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[901,null,"acetamide,n-[4-[[(4,6-dimethyl-2-pyrimidinyl)am","100-90-3",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(cc(n2)C)C",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(cc(n2)C)C",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[902,2792,"HEXAMETHYLENETETRAMINE","100-97-0","C1N2CN3CN1CN(C2)C3","C1N2CN3CN1CN(C2)C3","C1N2CN3CN1CN(C2)C3","C1N2CN3CN1CN(C2)C3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[903,4227,"ANILAZINE","101-05-3","Clc1nc(nc(n1)Cl)Nc2c(cccc2)Cl","Clc1nc(nc(n1)Cl)Nc2c(cccc2)Cl","Clc1nc(nc(n1)Cl)Nc2c(cccc2)Cl",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[904,4299,"Cloprop","101-10-0","CC(Oc1cc(ccc1)Cl)C(=O)O","CC(Oc1cc(ccc1)Cl)C(=O)O","CC(Oc1cc(ccc1)Cl)C(=O)O","CC(Oc1cc(ccc1)Cl)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[905,998,"4,4'-METHYLENEBIS(2-CHLOROANILINE)","101-14-4","Nc1c(cc(cc1)Cc2cc(c(cc2)N)Cl)Cl","Nc1c(cc(cc1)Cc2cc(c(cc2)N)Cl)Cl","Nc1c(cc(cc1)Cc2cc(c(cc2)N)Cl)Cl","Nc1c(cc(cc1)Cc2cc(c(cc2)N)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[906,55,"CHLORPROPHAM","101-21-3","CC(C)OC(=O)Nc1cc(ccc1)Cl","CC(C)OC(=O)Nc1cc(ccc1)Cl","CC(C)OC(=O)Nc1cc(ccc1)Cl","CC(C)OC(=O)Nc1cc(ccc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[907,524,"BARBAN","101-27-9","O=C(Nc1cc(ccc1)Cl)OCC#CCCl","O=C(Nc1cc(ccc1)Cl)OCC#CCCl","O=C(Nc1cc(ccc1)Cl)OCC#CCCl","O=C(Nc1cc(ccc1)Cl)OCC#CCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[908,1514,"Hyoscyamine","101-31-5","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3",null,"CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","50"]
[909,4089,"FENURON","101-42-8","CN(C)C(=O)Nc1ccccc1","CN(C)C(=O)Nc1ccccc1","CN(C)C(=O)Nc1ccccc1","CN(C)C(=O)Nc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[910,1004,"4-HYDROXYDIPHENYLMETHANE","101-53-1","Oc1ccc(cc1)Cc2ccccc2","Oc1ccc(cc1)Cc2ccccc2","Oc1ccc(cc1)Cc2ccccc2","Oc1ccc(cc1)Cc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[911,1013,"DI-(P-AMINOPHENYL)METHANE","101-77-9",null,"Nc1ccc(cc1)Cc2ccc(cc2)N","Nc1ccc(cc1)Cc2ccc(cc2)N","Nc1ccc(cc1)Cc2ccc(cc2)N",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[912,996,"BENZENE, 1,1'-METHYLENEBIS-","101-81-5","c1ccc(cc1)Cc2ccccc2","c1ccc(cc1)Cc2ccccc2","c1ccc(cc1)Cc2ccccc2","c1ccc(cc1)Cc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[913,544,"DIPHENYL ETHER","101-84-8","c1ccc(cc1)Oc2ccccc2","c1ccc(cc1)Oc2ccccc2","c1ccc(cc1)Oc2ccccc2","c1ccc(cc1)Oc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[914,1007,"N,N'-DIPHENYLGUANIDINE","102-06-7","N=C(Nc1ccccc1)Nc2ccccc2","NC(=Nc1ccccc1)Nc2ccccc2","N=C(Nc1ccccc1)Nc2ccccc2","N=C(Nc1ccccc1)Nc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[915,1000,"DIPHENYLUREA, SYM","102-07-8",null,"O=C(Nc1ccccc1)Nc2ccccc2","O=C(Nc1ccccc1)Nc2ccccc2","O=C(Nc1ccccc1)Nc2ccccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[916,null,"1,3,5-TRIETHYLBENZENE","102-25-0","CCc1cc(cc(c1)CC)CC","CCc1cc(cc(c1)CC)CC","CCC=1C=C(CC(C1)CC)CC","CCC=1C=C(CC(C1)CC)CC",2,2,0,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[917,4220,"Methanediamine, N,N,N',N'-tetraethyl-","102-53-4","CCN(CC)CN(CC)CC","CCN(CC)CN(CC)CC","CCN(CC)CN(CC)CC","CCN(CC)CN(CC)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[918,1234,"Entprol","102-60-3","CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O","CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O","CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O","CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[919,4394,"beta-alanine,n-[[(4-nitrophenyl)amino]carbonyl]","102-66-9",null,"O=C(O)CCNC(=O)Nc1ccc(cc1)[N+](=O)[O-]",null,"O=C(O)CCNC(=O)Nc1ccc(cc1)[N+](=O)[O-]",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[920,4210,"TRIPROPYLAMINE","102-69-2","CCCN(CCC)CCC","CCCN(CCC)CCC","CCCN(CCC)CCC","CCCN(CCC)CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[921,4133,"TRIALLYLAMINE","102-70-5","C=CCN(CC=C)CC=C","C=CCN(CC=C)CC=C","C=CCN(CC=C)CC=C","C=CCN(CC=C)CC=C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[922,2919,"TRIETHANOLAMINE","102-71-6","OCCN(CCO)CCO","OCCN(CCO)CCO","OCCN(CCO)CCO","OCCN(CCO)CCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[923,4128,"TRIACETIN","102-76-1","CC(=O)OCC(COC(C)=O)OC(C)=O","CC(=O)OCC(COC(C)=O)OC(C)=O","CC(=O)OCC(COC(C)=O)OC(C)=O","CC(=O)OCC(COC(C)=O)OC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[924,248,"2-Dibutylaminoethanol","102-81-8","CCCCN(CCO)CCCC","CCCCN(CCO)CCCC","CCCCN(CCO)CCCC","CCCCN(CCO)CCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[925,717,"TRI N-BUTYLAMINE","102-82-9",null,"CCCCN(CCCC)CCCC","CCCCN(CCCC)CCCC","CCCCN(CCCC)CCCC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[926,479,"2-ETHYLHEXYL ACRYLATE","103-11-7","C=CC(=O)OCC(CC)CCCC","C=CC(=O)OCC(CC)CCCC","C=CC(=O)OCC(CC)CCCC","C=CC(=O)OCC(CC)CCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[927,1814,"DI-2-ETHYLHEXYL ADIPATE","103-23-1","CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[928,1144,"BIBENZYL","103-29-7","c1ccc(cc1)CCc2ccccc2","c1ccc(cc1)CCc2ccccc2","c1ccc(cc1)CCc2ccccc2","c1ccc(cc1)CCc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[929,1120,"STILBENE (TRANS)","103-30-0",null,"C(=Cc1ccccc1)c2ccccc2","C(=Cc1ccccc1)c2ccccc2","C(=Cc1ccccc1)c2ccccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","2268"]
[930,538,"AZOBENZENE","103-33-3","c1ccc(cc1)N=Nc2ccccc2","c1ccc(cc1)N=Nc2ccccc2","c1ccc(cc1)N=Nc2ccccc2","c1ccc(cc1)N=Nc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[931,385,"CINNAMIC ACID, ETHYL ESTER","103-36-6","CCOC(=O)C=Cc1ccccc1","CCOC(=O)C=Cc1ccccc1","CCOC(=O)C=Cc1ccccc1","CCOC(=O)C=Cc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[932,1150,"DIBENZYL ETHER","103-50-4","c1ccc(cc1)COCc2ccccc2","c1ccc(cc1)COCc2ccccc2","c1ccc(cc1)COCc2ccccc2","c1ccc(cc1)COCc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[933,3980,"(2-BROMOETHYL)BENZENE","103-63-9","BrCCc1ccccc1","BrCCc1ccccc1","BrCCc1ccccc1","BrCCc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[934,4078,"N-PROPYLBENZENE","103-65-1","CCCc1ccccc1","CCCc1ccccc1","CCCc1ccccc1","CCCc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[935,3680,"N-METHYLBENZYLAMINE","103-67-3","CNCc1ccccc1","CNCc1ccccc1","CNCc1ccccc1","CNCc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[936,3668,"N-ETHYLANILINE","103-69-5","CCNc1ccccc1","CCNc1ccccc1","CCNc1ccccc1","CCNc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[937,3525,"FORMANILIDE","103-70-8","O=CNc1ccccc1","O=CNc1ccccc1","O=CNc1ccccc1","O=CNc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[938,3432,"PHENYLISOTHIOCYANATE","103-72-0","S=C=Nc1ccccc1","S=C=Nc1ccccc1","S=C=Nc1ccccc1","S=C=Nc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[939,3639,"ETHOXYBENZENE","103-73-1","CCOc1ccccc1","CCOc1ccccc1","CCOc1ccccc1","CCOc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[940,3957,"PHENYLACETIC ACID","103-82-2","O=C(O)Cc1ccccc1","O=C(O)Cc1ccccc1","O=C(O)Cc1ccccc1","O=C(O)Cc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[941,4110,"N,N-DIMETHYLBENZYLAMINE","103-83-3","CN(C)Cc1ccccc1","CN(C)Cc1ccccc1","CN(C)Cc1ccccc1","CN(C)Cc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[942,3989,"ACETANILIDE","103-84-4","CC(=O)Nc1ccccc1","CC(=O)Nc1ccccc1","CC(=O)Nc1ccccc1","CC(=O)Nc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[943,3559,"N-PHENYLTHIOUREA","103-85-5","NC(=S)Nc1ccccc1","NC(=S)Nc1ccccc1","NC(=S)Nc1ccccc1","NC(=S)Nc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[944,4063,"4-METHYLACETANILIDE","103-89-9","CC(=O)Nc1ccc(cc1)C","CC(=O)Nc1ccc(cc1)C","CC(=O)Nc1ccc(cc1)C","CC(=O)Nc1ccc(cc1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[945,3994,"ACETAMIDE, N-(4-HYDROXYPHENYL)","103-90-2","CC(=O)Nc1ccc(cc1)O","CC(=O)Nc1ccc(cc1)O","CC(=O)Nc1ccc(cc1)O","CC(=O)Nc1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[946,3940,"4-NITROACETANILIDE","104-04-1","CC(=O)Nc1ccc(cc1)[N+](=O)[O-]","CC(=O)Nc1ccc(cc1)[N+](=O)[O-]",null,"CC(=O)Nc1ccc(cc1)[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[947,68,"Thiacetazone","104-06-3","CC(=O)Nc1ccc(cc1)C=NNC(N)=S","CC(=O)Nc1ccc(cc1)C=NNC(N)=S",null,"CC(=O)Nc1ccc(cc1)C=NNC(N)=S",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[948,3578,"P-TOLUENESULFONIC ACID","104-15-4","Cc1ccc(cc1)S(=O)(=O)O","Cc1ccc(cc1)S(=O)(=O)O","Cc1ccc(cc1)S(=O)(=O)O","Cc1ccc(cc1)S(=O)(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[949,4508,"benzenesulfonamide,4-[(phenylmethyl)amino]-","104-22-3","NS(=O)(=O)c1ccc(cc1)NCc2ccccc2","Nc1ccc(cc1)S(=O)(=O)NCc2ccccc2",null,"Nc1ccc(cc1)S(=O)(=O)NCc2ccccc2",2,1,1,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[950,4541,"2-propenoicacid,3-(4-methoxyphenyl)-,2-ethoxy","104-28-9",null,"CCOCCOC(=O)C=Cc1ccc(cc1)OC",null,"CCOCCOC(=O)C=Cc1ccc(cc1)OC",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[951,4059,"Chlorphenesin","104-29-0","OCC(O)COc1ccc(cc1)Cl","OCC(O)COc1ccc(cc1)Cl","OCC(O)COc1ccc(cc1)Cl","OCC(O)COc1ccc(cc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[952,1373,"P-NONYLPHENOL","104-40-5","CCCCCCCCCc1ccc(cc1)O","CCCCCCCCCc1ccc(cc1)O","CCCCCCCCCc1ccc(cc1)O",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[953,69,"ANETHOLE","104-46-1","CC=Cc1ccc(cc1)OC","CC=Cc1ccc(cc1)OC","CC=Cc1ccc(cc1)OC","CC=Cc1ccc(cc1)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1557"]
[954,107,"N-BUTYLBENZENE","104-51-8","CCCCc1ccccc1","CCCCc1ccccc1","CCCCc1ccccc1","CCCCc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[955,4278,"3-PHENYL-2-PROPENAL","104-55-2","O=CC=Cc1ccccc1","O=CC=Cc1ccccc1","O=CC=Cc1ccccc1","O=CC=Cc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[956,1453,"1-PHENYLDECANE","104-72-3","CCCCCCCCCCc1ccccc1","CCCCCCCCCCc1ccccc1","CCCCCCCCCCc1ccccc1","CCCCCCCCCCc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[957,3831,"2-ETHYLHEXYLAMINE","104-75-6","CCCCC(CC)CN","CCCCC(CC)CN","CCCCC(CC)CN","CCCCC(CC)CN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[958,3802,"2-ETHYL-1-HEXANOL","104-76-7","CCCCC(CC)CO","CCCCC(CC)CO",null,"CCCCC(CC)CO",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[959,2833,"2,5-Tetrahydrofurandimethanol","104-80-3","OCC1OC(CC1)CO","OCC1OC(CC1)CO",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[960,3950,"P-TOLUALDEHYDE","104-87-0","Cc1ccc(cc1)C=O","Cc1ccc(cc1)C=O","Cc1ccc(cc1)C=O","Cc1ccc(cc1)C=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[961,3669,"5-ETHYL-2-METHYLPYRIDINE","104-90-5","CCc1cnc(cc1)C","CCc1cnc(cc1)C","CCc1cnc(cc1)C","CCc1cnc(cc1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[962,3606,"4-METHOXYANILINE","104-94-9","COc1ccc(cc1)N","COc1ccc(cc1)N","COc1ccc(cc1)N","COc1ccc(cc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[963,3076,"2-Propenoic acid, 3-(1H-imidazol-4-yl)-","104-98-3","O=C(O)C=Cc1nc[nH]c1","O=C(O)C=Cc1[nH]cnc1",null,"O=C(O)C=Cc1nc[nH]c1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[964,109,"P-DIETHYLBENZENE","105-05-5","CCc1ccc(cc1)CC","CCc1ccc(cc1)CC","CCc1ccc(cc1)CC","CCc1ccc(cc1)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[965,3651,"P-METHOXYBENZYL ALCOHOL","105-13-5","COc1ccc(cc1)CO","COc1ccc(cc1)CO","COc1ccc(cc1)CO","COc1ccc(cc1)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[966,2874,"2-METHYL-1-PENTANOL","105-30-6","CCCC(C)CO","CCCC(C)CO","CCCC(C)CO","CCCC(C)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[967,2716,"1-HEXYN-3-OL","105-31-7","C#CC(O)CCC","C#CC(O)CCC","C#CC(O)CCC","C#CC(O)CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[968,2497,"ETHYL PROPIONATE","105-37-3","CCOC(=O)CC","CCOC(=O)CC","CCOC(=O)CC","CCOC(=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[969,2365,"ETHYL CHLOROACETATE","105-39-5","CCOC(=O)CCl","CCOC(=O)CCl","CCOC(=O)CCl","CCOC(=O)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[970,2451,"N-METHYLCARBAMIC ACID, ET ESTER","105-40-8",null,"CCOC(=O)NC","CCOC(=O)NC","CCOC(=O)NC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[971,2679,"METHYL ACETOACETATE","105-45-3","COC(=O)CC(C)=O","COC(=O)CC(C)=O","COC(=O)CC(C)=O","COC(=O)CC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[972,2817,"S-BUTYLACETATE","105-46-4",null,"CCC(C)OC(C)=O","CCC(C)OC(C)=O","CCC(C)OC(C)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[973,3215,"DIETHYL MALONATE","105-53-3","CCOC(=O)CC(=O)OCC","CCOC(=O)CC(=O)OCC","CCOC(=O)CC(=O)OCC","CCOC(=O)CC(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[974,2815,"ETHYLBUTYRATE","105-54-4","CCCC(=O)OCC","CCCC(=O)OCC","CCCC(=O)OCC","CCCC(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[975,4621,"n,n-diethylthiourea","105-55-5","CCN(CC)C(N)=S","CCNC(=S)NCC",null,"CCNC(=S)NCC",2,1,1,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[976,2651,"ETHYL CYANOACETATE","105-56-6","CCOC(=O)CC#N","CCOC(=O)CC#N","CCOC(=O)CC#N","CCOC(=O)CC#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[977,2897,"1,1-DIETHOXYETHANE","105-57-7","CCOC(C)OCC","CCOC(C)OCC","CCOC(C)OCC","CCOC(C)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[978,2507,"DIETHYL CARBONATE","105-58-8","CCOC(=O)OCC","CCOC(=O)OCC","CCOC(=O)OCC","CCOC(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[979,2580,"N-METHYLDIETHANOLAMINE","105-59-9","CN(CCO)CCO","CN(CCO)CCO","CN(CCO)CCO","CN(CCO)CCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[980,2760,"CAPROLACTAM","105-60-2","O=C1NCCCCC1","O=C1NCCCCC1","O=C1NCCCCC1","O=C1NCCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[981,3268,"N-PROPYLBUTYRATE","105-66-8",null,"CCCOC(=O)CCC","CCCOC(=O)CCC","CCCOC(=O)CCC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[982,3642,"2,4-DIMETHYLPHENOL","105-67-9","Cc1cc(c(cc1)O)C","Cc1cc(c(cc1)O)C","Cc1cc(c(cc1)O)C","Cc1cc(c(cc1)O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[983,198,"Butanoic acid, 1,2-ethanediyl ester","105-72-6","CCCC(=O)OCCOC(=O)CCC","CCCC(=O)OCCOC(=O)CCC",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[984,683,"DIBUTYL MALEATE","105-76-0","CCCCOC(=O)C=CC(=O)OCCCC","CCCCOC(=O)C=CC(=O)OCCCC","CCCCOC(=O)C=CC(=O)OCCCC","CCCCOC(=O)C=CC(=O)OCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[985,702,"Hexanedioic acid, bis(2-methoxyethyl) ester","106-00-3","COCCOC(=O)CCCCC(=O)OCCOC","COCCOC(=O)CCCCC(=O)OCCOC","COCCOC(=O)CCCCC(=O)OCCOC","COCCOC(=O)CCCCC(=O)OCCOC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[986,190,"GERANIOL","106-24-1","CC(C)=CCCC(C)=CCO","CC(C)=CCCC(C)=CCO",null,"CC(C)=CCCC(C)=CCO",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","987"]
[987,190,"2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-","106-25-2","CC(C)=CCCC(C)=CCO","CC(C)=CCCC(C)=CCO","CC(C)=CCCC(C)=CCO","CC(C)=CCCC(C)=CCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","986"]
[988,4180,"ETHYL HEPTANOATE","106-30-9","CCCCCCC(=O)OCC","CCCCCCC(=O)OCC","CCCCCCC(=O)OCC","CCCCCCC(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[989,227,"ETHYL OCTANOATE","106-32-1","CCCCCCCC(=O)OCC","CCCCCCCC(=O)OCC","CCCCCCCC(=O)OCC","CCCCCCCC(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[990,3087,"QUINHYDRONE","106-34-3","Oc1ccc(cc1)O","Oc1ccc(cc1)O","Oc1ccc(cc1)O","Oc1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Organic counterion","1412"]
[991,3257,"3-HEPTANONE","106-35-4","CCCCC(=O)CC","CCCCC(=O)CC","CCCCC(=O)CC","CCCCC(=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[992,2816,"N-PROPYLPROPIONATE","106-36-5",null,"CCCOC(=O)CC","CCCOC(=O)CC","CCCOC(=O)CC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[993,2971,"1,4-DIBROMOBENZENE","106-37-6","Brc1ccc(cc1)Br","Brc1ccc(cc1)Br","Brc1ccc(cc1)Br","Brc1ccc(cc1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[994,3491,"P-BROMOTOLUENE","106-38-7","Cc1ccc(cc1)Br","Cc1ccc(cc1)Br","Cc1ccc(cc1)Br","Cc1ccc(cc1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[995,2976,"P-BROMOCHLOROBENZENE","106-39-8","Clc1ccc(cc1)Br","Clc1ccc(cc1)Br","Clc1ccc(cc1)Br","Clc1ccc(cc1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[996,3034,"P-BROMOPHENOL","106-41-2","Oc1ccc(cc1)Br","Oc1ccc(cc1)Br","Oc1ccc(cc1)Br","Oc1ccc(cc1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[997,3618,"P-XYLENE","106-42-3","Cc1ccc(cc1)C","Cc1ccc(cc1)C","Cc1ccc(cc1)C","Cc1ccc(cc1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[998,3498,"P-CHLOROTOLUENE","106-43-4","Cc1ccc(cc1)Cl","Cc1ccc(cc1)Cl","Cc1ccc(cc1)Cl","Cc1ccc(cc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[999,3562,"P-CRESOL","106-44-5","Cc1ccc(cc1)O","Cc1ccc(cc1)O","Cc1ccc(cc1)O","Cc1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1000,2984,"1,4-DICHLOROBENZENE","106-46-7","Clc1ccc(cc1)Cl","Clc1ccc(cc1)Cl","Clc1ccc(cc1)Cl","Clc1ccc(cc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1001,3067,"4-CHLOROANILINE","106-47-8","Nc1ccc(cc1)Cl","Nc1ccc(cc1)Cl","Nc1ccc(cc1)Cl","Nc1ccc(cc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1002,3041,"4-CHLOROPHENOL","106-48-9","Oc1ccc(cc1)Cl","Oc1ccc(cc1)Cl","Oc1ccc(cc1)Cl","Oc1ccc(cc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1003,3585,"P-TOLUIDINE","106-49-0","Cc1ccc(cc1)N","Cc1ccc(cc1)N","Cc1ccc(cc1)N","Cc1ccc(cc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1004,3125,"1,4-BENZENEDIAMINE","106-50-3","Nc1ccc(cc1)N","Nc1ccc(cc1)N","Nc1ccc(cc1)N","Nc1ccc(cc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1005,3030,"2,5-CYCLOHEXADIENE-1,4-DIONE","106-51-4","O=C1C=CC(C=C1)=O","O=C1C=CC(C=C1)=O","O=C1C=CC(C=C1)=O","O=C1C=CC(C=C1)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1006,2324,"2,5-Piperazinedione","106-57-0","O=C1NCC(NC1)=O","O=C1NCC(NC1)=O","O=C1NCC(NC1)=O","O=C1NCC(NC1)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1007,2901,"1-PROPANOL, 2-(2-HYDROXYPROPOXY)-","106-62-7","CC(O)COC(C)CO","CC(O)COC(C)CO","CC(O)COC(C)CO","CC(O)COC(C)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1008,3208,"ISOBUTYL ACRYLATE","106-63-8","C=CC(=O)OCC(C)C","C=CC(=O)OCC(C)C","C=CC(=O)OCC(C)C","C=CC(=O)OCC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1009,2738,"DIMETHYL SUCCINATE","106-65-0","COC(=O)CCC(=O)OC","COC(=O)CCC(=O)OC","COC(=O)CCC(=O)OC","COC(=O)CCC(=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1010,3764,"3-OCTANONE","106-68-3","CCCCCC(=O)CC","CCCCCC(=O)CC","CCCCCC(=O)CC","CCCCCC(=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1011,3264,"METHYL HEXANOATE","106-70-7","CCCCCC(=O)OC","CCCCCC(=O)OC","CCCCCC(=O)OC","CCCCCC(=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1012,695,"Decanedioic acid, dimethyl ester","106-79-6","COC(=O)CCCCCCCCC(=O)OC","COC(=O)CCCCCCCCC(=O)OC","COC(=O)CCCCCCCCC(=O)OC","COC(=O)CCCCCCCCC(=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1013,2406,"1,2-BUTYLENEOXIDE","106-88-7","CCC1OC1","CCC1OC1","CCC1OC1","CCC1OC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1014,2094,"1-CHLORO-2,3-EPOXYPROPANE","106-89-8","ClCC1OC1","ClCC1OC1","ClCC1OC1","ClCC1OC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1015,1947,"1,2-DIBROMOETHANE","106-93-4","BrCCBr","BrCCBr","BrCCBr","BrCCBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1016,2152,"1-BROMOPROPANE","106-94-5","CCCBr","CCCBr","CCCBr","CCCBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1017,2083,"3-BROMO-1-PROPENE","106-95-6","C=CCBr","C=CCBr","C=CCBr","C=CCBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1018,2054,"1-Propyne, 3-bromo-","106-96-7","C#CCBr","C#CCBr","C#CCBr","C#CCBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1019,2216,"N-BUTANE","106-97-8","CCCC","CCCC","CCCC","CCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1020,2379,"1-BUTENE","106-98-9","C=CCC","C=CCC","C=CCC","C=CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2284, 2508"]
[1021,2317,"1,3-BUTADIENE","106-99-0","C=CC=C","C=CC=C","C=CC=C","C=CC=C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1022"]
[1022,2317,"1-BUTYNE","107-00-6","C#CCC","C#CCC","C#CCC","C#CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1021"]
[1023,2076,"ACROLEIN","107-02-8","C=CC=O","C=CC=O","C=CC=O","C=CC=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1037"]
[1024,2195,"1-PROPANETHIOL","107-03-9","CCCS","CCCS","CCCS","CCCS",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1025,1948,"1-BROMO-2-CHLOROETHANE","107-04-0","ClCCBr","ClCCBr","ClCCBr","ClCCBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1026,2085,"3-CHLOROPROPYLENE","107-05-1","C=CCCl","C=CCCl","C=CCCl",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1027,1951,"1,2-DICHLOROETHANE","107-06-2","ClCCCl","ClCCCl","ClCCCl","ClCCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1028,1973,"2-CHLOROETHANOL","107-07-3","OCCCl","OCCCl","OCCCl","OCCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1029,null,"1-IODOPROPANE","107-08-4","CCCI","CC(C)I","CCCI",null,2,1,1,"NO","YES",null,null,"Eliminate","-","Missing/ambiguous"]
[1030,2196,"PROPYLAMINE","107-10-8","CCCN","CCCN","CCCN","CCCN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1031,2161,"ALLYLAMINE","107-11-9","C=CCN","C=CCN","C=CCN","C=CCN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1032,2099,"PROPIONITRILE","107-12-0","CCC#N","CCC#N","CCC#N","CCC#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1033,2056,"ACRYLONITRILE","107-13-1","C=CC#N","C=CC#N","C=CC#N","C=CC#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1034,1914,"CHLOROACETONITRILE","107-14-2","N#CCCl","N#CCCl","N#CCCl","N#CCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1035,2015,"1,2-DIAMINOETHANE","107-15-3","NCCN","NCCN","NCCN","NCCN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1036,2136,"ALLYL ALCOHOL","107-18-6","C=CCO","C=CCO","C=CCO","C=CCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1415"]
[1037,2076,"PROPARGYL ALCOHOL","107-19-7","C#CCO","C#CCO","C#CCO","C#CCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1023"]
[1038,1999,"ETHYLENE GLYCOL","107-21-1","OCCO","OCCO","OCCO","OCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1039,1922,"GLYOXAL","107-22-2","O=CC=O","O=CC=O",null,"O=CC=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1040,2140,"METHYLVINYLETHER","107-25-5","C=COC","C=COC","C=COC","C=COC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1041,1966,"METHYLFORMATE","107-31-3","COC=O","COC=O","COC=O","COC=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1042,2011,"TAURINE","107-35-7","NCCS(=O)(=O)O","NCCS(=O)(=O)O","NCCS(=O)(=O)O","NCCS(=O)(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1043,2001,"Isethionic Acid","107-36-8","O=S(=O)(O)CCO","O=S(=O)(O)CCO","O=S(=O)(O)CCO","O=S(=O)(O)CCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1044,2898,"2-METHYL-2,4-PENTANEDIOL","107-41-5","CC(O)CC(C)(C)O","CC(O)CC(C)(C)O","CC(O)CC(C)(C)O","CC(O)CC(C)(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1045,2532,"BETAINE","107-43-7","C[N+](C)(C)CC(=O)O","C[N+](C)(C)CC(=O)O","C[N+](C)(C)CC(=O)O","C[N+](C)(C)CC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1046,2218,"SARIN","107-44-8","CC(C)OP(C)(=O)F","CC(C)OP(C)(=O)F","CC(C)OP(C)(=O)F","CC(C)OP(C)(=O)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1047,null,"HEXAMETHYLDISILOXANE","107-46-0","C[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)C",4,0,0,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[1048,3846,"TETRAETHYL PYROPHOSPHATE","107-49-3","CCOP(=O)(OCC)OP(=O)(OCC)OCC","CCOP(=O)(OCC)OP(=O)(OCC)OCC","CCOP(=O)(OCC)OP(=O)(OCC)OCC","CCOP(=O)(OCC)OP(=O)(OCC)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1049,null,"OCTAMETHYLTRISILOXANE","107-51-7","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C",4,0,0,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[1050,3840,"DI-N-BUTYL PHOSPHATE","107-66-4","CCCCOP(=O)(O)OCCCC",null,"CCCCOP(=O)(O)OCCCC","CCCCOP(=O)(O)OCCCC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1051,2065,"trichlorourethan","107-69-7","CC(Cl)OC(=O)N(Cl)Cl","NC(=O)OCC(Cl)(Cl)Cl","NC(=O)OCC(Cl)(Cl)Cl","NC(=O)OCC(Cl)(Cl)Cl",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[1052,3273,"4-METHOXY-4-METHYL-2-PENTANONE","107-70-0","COC(C)(C)CC(C)=O","COC(C)(C)CC(C)=O","COC(C)(C)CC(C)=O","COC(C)(C)CC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1053,2512,"1-BROMO-3-METHYLBUTANE","107-82-4","CC(C)CCBr","CC(C)CCBr","CC(C)CCBr","CC(C)CCBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1054,2858,"2-METHYLPENTANE","107-83-5","CCCC(C)C","CCCC(C)C","CCCC(C)C","CCCC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1055,2484,"2-PENTANONE","107-87-9","CCCC(C)=O","CCCC(C)=O","CCCC(C)=O","CCCC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2927"]
[1056,2236,"1,3-BUTANEDIOL","107-88-0","CC(O)CCO","CC(O)CCO","CC(O)CCO","CC(O)CCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1057,2422,"Aldol","107-89-1","CC(O)CC=O","CC(O)CC=O",null,"CC(O)CC=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1058,2070,"Acetamide, 2-cyano-","107-91-5","N#CCC(N)=O","N#CCC(N)=O","N#CCC(N)=O","N#CCC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1059,2414,"BUTYRIC ACID","107-92-6","CCCC(=O)O","CCCC(=O)O","CCCC(=O)O","CCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1060,2333,"CROTONIC ACID","107-93-7","CC=CC(=O)O","CC=CC(=O)O","CC=CC(=O)O","CC=CC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1925, 3420"]
[1061,2173,"BETA-ALANINE","107-95-9","NCCC(=O)O","NCCC(=O)O","NCCC(=O)O","NCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1062,2172,"N-METHYL GLYCINE","107-97-1","CNCC(=O)O","CNCC(=O)O",null,"CNCC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1063,2234,"1-METHOXY-2-PROPANOL","107-98-2","COCC(C)O","COCC(C)O","COCC(C)O","COCC(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1064,2259,"2-DIMETHYLAMINOETHANOL","108-01-0","CN(C)CCO","CN(C)CCO","CN(C)CCO","CN(C)CCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1065,2169,"1-NITROPROPANE","108-03-2","CCC[N+](=O)[O-]","CCC[N+](=O)[O-]","CCC[N+](=O)[O-]","CCC[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1066,2339,"VINYL ACETATE","108-05-4","C=COC(C)=O","C=COC(C)=O","C=COC(C)=O","C=COC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1067,3303,"2,4-DIMETHYLPENTANE","108-08-7","CC(C)CC(C)C","CC(C)CC(C)C","CC(C)CC(C)C","CC(C)CC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1068,2804,"4-METHYL-2-PENTANONE","108-10-1","CC(=O)CC(C)C","CC(=O)CC(C)C","CC(=O)CC(C)C","CC(=O)CC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1069,2885,"4-METHYL-2-PENTANOL","108-11-2","CC(C)CC(C)O","CC(C)CC(C)O","CC(C)CC(C)O","CC(C)CC(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1070,2127,"Propanediamide","108-13-4","NC(=O)CC(N)=O","NC(=O)CC(N)=O","NC(=O)CC(N)=O","NC(=O)CC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1071,2912,"DIISOPROPYLAMINE","108-18-9","CC(C)NC(C)C","CC(C)NC(C)C","CC(C)NC(C)C","CC(C)NC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1072,1979,"Imidodicarbonic diamide","108-19-0","NC(=O)NC(N)=O","NC(=O)NC(N)=O","NC(=O)NC(N)=O","NC(=O)NC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1073,2888,"DI-ISOPROPYL ETHER","108-20-3","CC(C)OC(C)C","CC(C)OC(C)C","CC(C)OC(C)C","CC(C)OC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1074,2499,"ISOPROPYL ACETATE","108-21-4","CC(=O)OC(C)C","CC(=O)OC(C)C","CC(=O)OC(C)C","CC(=O)OC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1075,2343,"ACETIC ANHYDRIDE","108-24-7","CC(=O)OC(C)=O","CC(=O)OC(C)=O","CC(=O)OC(C)=O","CC(=O)OC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1076,2607,"2(5H)-FURANONE, 5-METHYLENE-","108-28-1","C=C1OC(C=C1)=O","C=C1OC(C=C1)=O","C=C1OC(C=C1)=O","C=C1OC(C=C1)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1077,2344,"PROPYLENE CARBONATE","108-32-7","CC1OC(OC1)=O","CC1OC(OC1)=O","CC1OC(OC1)=O","CC1OC(OC1)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1078,3736,"DIETHYL 3-METHYL-5-PYRAZOLYL PHOSPHATE","108-34-9","CCOP(=O)(OCC)Oc1[nH]nc(c1)C","CCOP(=O)(OCC)Oc1n[nH]c(c1)C","CCOP(=O)(OCC)Oc1n[nH]c(c1)C","CCOP(=O)(OCC)Oc1n[nH]c(c1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1079,2972,"M-DIBROMOBENZENE","108-36-1","Brc1cc(ccc1)Br","Brc1cc(ccc1)Br","Brc1cc(ccc1)Br","Brc1cc(ccc1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1080,2977,"M-BROMOCHLOROBENZENE","108-37-2","Clc1cc(ccc1)Br","Clc1cc(ccc1)Br","Clc1cc(ccc1)Br","Clc1cc(ccc1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1081,3619,"M-XYLENE","108-38-3","Cc1cc(ccc1)C","Cc1cc(ccc1)C","Cc1cc(ccc1)C","Cc1cc(ccc1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1082,3563,"M-CRESOL","108-39-4","Cc1cc(ccc1)O","Cc1cc(ccc1)O","Cc1cc(ccc1)O","Cc1cc(ccc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1083,3499,"M-CHLOROTOLUENE","108-41-8","Cc1cc(ccc1)Cl","Cc1cc(ccc1)Cl","Cc1cc(ccc1)Cl","Cc1cc(ccc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1084,3068,"3-CHLOROANILINE","108-42-9","Nc1cc(ccc1)Cl","Nc1cc(ccc1)Cl","Nc1cc(ccc1)Cl","Nc1cc(ccc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1085,3042,"3-CHLOROPHENOL","108-43-0","Oc1cc(ccc1)Cl","Oc1cc(ccc1)Cl","Oc1cc(ccc1)Cl","Oc1cc(ccc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1086,3586,"M-TOLUIDINE","108-44-1","Cc1cc(ccc1)N","Cc1cc(ccc1)N","Cc1cc(ccc1)N","Cc1cc(ccc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1087,3126,"1,3-BENZENEDIAMINE","108-45-2","Nc1cc(ccc1)N","Nc1cc(ccc1)N","Nc1cc(ccc1)N","Nc1cc(ccc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1088,3088,"RESORCINOL","108-46-3","Oc1cc(ccc1)O","Oc1cc(ccc1)O","Oc1cc(ccc1)O","Oc1cc(ccc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1089,3589,"2,4-DIMETHYLPYRIDINE","108-47-4","Cc1cc(ncc1)C","Cc1cc(ncc1)C","Cc1cc(ncc1)C","Cc1cc(ncc1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1090,3592,"2,6-LUTIDINE","108-48-5","Cc1nc(ccc1)C","Cc1nc(ccc1)C","Cc1nc(ccc1)C","Cc1nc(ccc1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1091,4370,"DCIP  (2,2'-OXYBIS-1-CHLOROPROPANE)","108-60-1",null,"[2H]CIP","[2H]CIP","[2H]CIP",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1092,3783,"Metaldehyde (tetramer)","108-62-3","CC1OC(OC(OC(O1)C)C)C","CC1OC(OC(OC(O1)C)C)C","CC1OC(OC(OC(O1)C)C)C","CC1OC(OC(OC(O1)C)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1093,3270,"ETHYL ISOVALERATE","108-64-5","CCOC(=O)CC(C)C","CCOC(=O)CC(C)C","CCOC(=O)CC(C)C","CCOC(=O)CC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1094,2832,"PROPYLENE GLYCOL ME ETHER ACETATE","108-65-6",null,"COCC(C)OC(C)=O","COCC(C)OC(C)=O","COCC(C)OC(C)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1095,4084,"1,3,5-TRIMETHYLBENZENE","108-67-8","Cc1cc(cc(c1)C)C","Cc1cc(cc(c1)C)C","Cc1cc(cc(c1)C)C","Cc1cc(cc(c1)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1096,3643,"3,5-DIMETHYLPHENOL","108-68-9","Cc1cc(cc(c1)C)O","Cc1cc(cc(c1)C)O","Cc1cc(cc(c1)C)O","Cc1cc(cc(c1)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1097,2954,"1,3,5-TRICHLOROBENZENE","108-70-3","Clc1cc(cc(c1)Cl)Cl","Clc1cc(cc(c1)Cl)Cl","Clc1cc(cc(c1)Cl)Cl","Clc1cc(cc(c1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1098,3093,"1,3,5-TRIHYDROXYBENZENE","108-73-6","Oc1cc(cc(c1)O)O","Oc1cc(cc(c1)O)O","Oc1cc(cc(c1)O)O","Oc1cc(cc(c1)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1099,3675,"2,4,6-COLLIDINE","108-75-8","Cc1cc(nc(c1)C)C","Cc1cc(nc(c1)C)C","Cc1cc(nc(c1)C)C","Cc1cc(nc(c1)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1100,2134,"MELAMINE","108-78-1","Nc1nc(nc(n1)N)N","Nc1nc(nc(n1)N)N","Nc1nc(nc(n1)N)N","Nc1nc(nc(n1)N)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1101,2057,"CYANURIC ACID","108-80-5","O=c1[nH]c([nH]c([nH]1)=O)=O","O=c1[nH]c([nH]c([nH]1)=O)=O","Oc1nc(nc(n1)O)O","Oc1nc(nc(n1)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1102,4204,"2,6-DIMETHYL-4-HEPTANOL","108-82-7","CC(C)CC(O)CC(C)C","CC(C)CC(O)CC(C)C","CC(C)CC(O)CC(C)C","CC(C)CC(O)CC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1103,4177,"2,6-DIMETHYL-4-HEPTANONE","108-83-8","CC(C)CC(=O)CC(C)C","CC(C)CC(=O)CC(C)C","CC(C)CC(=O)CC(C)C","CC(C)CC(=O)CC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1104,3774,"4-METHYL-2-PENTYL ACETATE","108-84-9","CC(=O)OC(C)CC(C)C","CC(=O)OC(C)CC(C)C","CC(=O)OC(C)CC(C)C","CC(=O)OC(C)CC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1105,2747,"BROMOCYCLOHEXANE","108-85-0","BrC1CCCCC1","BrC1CCCCC1","BrC1CCCCC1","BrC1CCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1106,3032,"BROMOBENZENE","108-86-1","Brc1ccccc1","Brc1ccccc1","Brc1ccccc1","Brc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1107,3242,"1-METHYLCYCLOHEXANE","108-87-2","CC1CCCCC1","CC1CCCCC1","CC1CCCCC1","CC1CCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1108,3551,"TOLUENE","108-88-3","Cc1ccccc1","Cc1ccccc1","Cc1ccccc1",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1109,3101,"4-METHYLPYRIDINE","108-89-4","Cc1ccncc1","Cc1ccncc1","Cc1ccncc1","Cc1ccncc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1110,3036,"CHLOROBENZENE","108-90-7","Clc1ccccc1","Clc1ccccc1","Clc1ccccc1","Clc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1111,2844,"CYCLOHEXANAMINE","108-91-8","NC1CCCCC1","NC1CCCCC1","NC1CCCCC1","NC1CCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1112,2808,"CYCLOHEXANOL","108-93-0","OC1CCCCC1","OC1CCCCC1","OC1CCCCC1","OC1CCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1113,2720,"CYCLOHEXANONE","108-94-1","O=C1CCCCC1","O=C1CCCCC1","O=C1CCCCC1","O=C1CCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1114,3086,"PHENOL","108-95-2","Oc1ccccc1","Oc1ccccc1","Oc1ccccc1","Oc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1115,3098,"THIOPHENOL","108-98-5","Sc1ccccc1","Sc1ccccc1","Sc1ccccc1","Sc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1116,3102,"3-METHYLPYRIDINE","108-99-6","Cc1cnccc1","Cc1cnccc1","Cc1cnccc1","Cc1cnccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1117,2621,"3-HYDROXYPYRIDINE","109-00-2","Oc1cnccc1","Oc1cnccc1","Oc1cnccc1","Oc1cnccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1118,2523,"N-METHYLMORPHOLINE","109-02-4","CN1CCOCC1","CN1CCOCC1","CN1CCOCC1","CN1CCOCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1119,2591,"2-BROMOPYRIDINE","109-04-6","Brc1ncccc1","Brc1ncccc1","Brc1ncccc1","Brc1ncccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1120,3103,"2-METHYLPYRIDINE","109-06-8","Cc1ncccc1","Cc1ncccc1","Cc1ncccc1","Cc1ncccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1121,2545,"Piperazine, 2-methyl-","109-07-9","CC1NCCNC1","CC1NCCNC1","CC1NCCNC1","CC1NCCNC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1122,2627,"2-METHYLPYRAZINE","109-08-0","Cc1nccnc1","Cc1nccnc1","Cc1nccnc1","Cc1nccnc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1123,2592,"2-CHLOROPYRIDINE","109-09-1","Clc1ncccc1","Clc1ncccc1","Clc1ncccc1","Clc1ncccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1124,1222,"triethyleneglycoldimethacrylate","109-16-0","OCCOCCOCCO","C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C","C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C","C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[1125,3772,"N-BUTYLBUTYRATE","109-21-7",null,"CCCCOC(=O)CCC","CCCCOC(=O)CCC","CCCCOC(=O)CCC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1126,1590,"DIBUTYL SEBACATE","109-43-3","CCCCOC(=O)CCCCCCCCC(=O)OCCCC","CCCCOC(=O)CCCCCCCCC(=O)OCCCC","CCCCOC(=O)CCCCCCCCC(=O)OCCCC","CCCCOC(=O)CCCCCCCCC(=O)OCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1127,1227,"Hexanedioic acid, bis(2-ethoxyethyl) ester","109-44-4","CCOCCOC(=O)CCCCC(=O)OCCOCC","CCOCCOC(=O)CCCCC(=O)OCCOCC","CCOCCOC(=O)CCCCC(=O)OCCOCC","CCOCCOC(=O)CCCCC(=O)OCCOCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1128,2715,"3-HEXYN-2-OL","109-50-2","CCC#CC(C)O","CCC#CC(C)O","CCC#CC(C)O","CCC#CC(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1129,2491,"PENTANOIC ACID","109-52-4","CCCCC(=O)O","CCCCC(=O)O","CCCCC(=O)O","CCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2156"]
[1130,2803,"ISOBUTYL VINYL ETHER","109-53-5","C=COCC(C)C","C=COCC(C)C","C=COCC(C)C","C=COCC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1131,2543,"1-Propanamine, 3-chloro-N,N-dimethyl-","109-54-6","CN(C)CCCCl","CN(C)CCCCl","CN(C)CCCCl","CN(C)CCCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[1132,2582,"1,3-Propanediamine, N,N-dimethyl-","109-55-7","CN(C)CCCN","CN(C)CCCN","CN(C)CCCN","CN(C)CCCN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1133,2403,"ALLYLTHIOUREA","109-57-9","C=CCNC(N)=S","C=CCNC(N)=S","C=CCNC(N)=S","C=CCNC(N)=S",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1134,2568,"2-Isopropoxyethanol","109-59-1","CC(C)OCCO","CC(C)OCCO","CC(C)OCCO","CC(C)OCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1135,2496,"N-PROPYL ACETATE","109-60-4","CCCOC(C)=O","CCCOC(C)=O","CCCOC(C)=O","CCCOC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1136,2111,"1,3-DIBROMOPROPANE","109-64-8","BrCCCBr","BrCCCBr","BrCCCBr","BrCCCBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1137,2428,"1-BROMOBUTANE","109-65-9","CCCCBr","CCCCBr","CCCCBr","CCCCBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1138,2540,"N-PENTANE","109-66-0","CCCCC","CCCCC","CCCCC","CCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1139,2470,"1-PENTENE","109-67-1","C=CCCC","C=CCCC","C=CCCC","C=CCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1140, 2543, 2617"]
[1140,2470,"2-PENTENE","109-68-2","CC=CCC","CC=CCC","CC=CCC","CC=CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1139, 2543, 2617"]
[1141,2431,"1-CHLOROBUTANE","109-69-3","CCCCCl","CCCCCl","CCCCCl","CCCCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1142,2114,"1-CHLORO-3-BROMOPROPANE","109-70-6","ClCCCBr","ClCCCBr","ClCCCBr","ClCCCBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1143,2251,"N-BUTYLAMINE","109-73-9","CCCCN","CCCCN","CCCCN","CCCCN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1144,2366,"BUTYRONITRILE","109-74-0","CCCC#N","CCCC#N","CCCC#N","CCCC#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1145,2052,"MALONONITRILE","109-77-3","N#CCC#N","N#CCC#N","N#CCC#N","N#CCC#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1146,2105,"ETHYLENE CYANOHYDRIN","109-78-4","N#CCCO","N#CCCO","N#CCCO","N#CCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1147,2247,"BUTANETHIOL","109-79-5","CCCCS","CCCCS","CCCCS","CCCCS",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1148,2201,"2-(METHYLAMINO)ETHANOL","109-83-1","CNCCO","CNCCO","CNCCO","CNCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1149,2016,"Ethanol, 2-hydrazino-","109-84-2","NNCCO","NNCCO","NNCCO","NNCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1150,2192,"2-METHOXYETHANOL","109-86-4","COCCO","COCCO","COCCO","COCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1151,2191,"DIMETHOXYMETHANE","109-87-5","COCOC","COCOC","COCOC","COCOC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1152,2253,"DIETHYLAMINE","109-89-7","CCNCC","CCNCC","CCNCC","CCNCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1153,2409,"ETHYL VINYL ETHER","109-92-2","C=COCC","C=COCC","C=COCC","C=COCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1154,2331,"DIVINYL ETHER","109-93-3","C=COC=C","C=COC=C","C=COC=C","C=COC=C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1155,2142,"ETHYL FORMATE","109-94-4","CCOC=O","CCOC=O","CCOC=O","CCOC=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1156,2307,"PYRROLE","109-97-7","c1c[nH]cc1","c1c[nH]cc1","c1c[nH]cc1","c1c[nH]cc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1157,2407,"TETRAHYDROFURAN","109-99-9","C1COCC1","C1COCC1","C1COCC1","C1COCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1158,2294,"FURAN","110-00-9","c1cocc1","c1cocc1","c1cocc1","c1cocc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1159,2297,"THIOPHENE","110-02-1","c1cscc1","c1cscc1","c1cscc1","c1cscc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1160,3820,"T-BUTYL-PEROXIDE","110-05-4","CC(C)(C)OOC(C)(C)C","CC(C)(C)OOC(C)(C)C","CC(C)(C)OOC(C)(C)C","CC(C)(C)OOC(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1161,3260,"5-METHYL-2-HEXANONE","110-12-3","CC(=O)CCC(C)C","CC(=O)CCC(C)C","CC(=O)CCC(C)C","CC(=O)CCC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1162,2395,"SUCCINAMIDE","110-14-5","NC(=O)CCC(N)=O","NC(=O)CCC(N)=O","NC(=O)CCC(N)=O","NC(=O)CCC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1163,2347,"BUTANEDIOC ACID","110-15-6",null,"O=C(O)CCC(=O)O","O=C(O)CCC(=O)O","O=C(O)CCC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"1629"]
[1164,2295,"MALEIC ACID","110-16-7","O=C(O)C=CC(=O)O","O=C(O)C=CC(=O)O","O=C(O)C=CC(=O)O","O=C(O)C=CC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1165"]
[1165,2295,"FUMARIC ACID","110-17-8","O=C(O)C=CC(=O)O","O=C(O)C=CC(=O)O","O=C(O)C=CC(=O)O","O=C(O)C=CC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1164"]
[1166,null,"sec-butylacetate","110-19-0","CCC(C)CC(=O)O","CC(=O)OCC(C)C","CC(=O)OCC(C)C","CC(=O)OCC(C)C",3,1,0,"NO","NO",3,1,"Eliminate","-","Manual Check failed"]
[1167,2440,"ACETONE, SEMICARBAZONE","110-20-3","CC(C)=NNC(N)=O","CC(C)=NNC(N)=O",null,"CC(C)=NNC(N)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1168,710,"ETHYL DECANOATE","110-38-3","CCCCCCCCCC(=O)OCC","CCCCCCCCCC(=O)OCC","CCCCCCCCCC(=O)OCC","CCCCCCCCCC(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1169,1225,"DIETHYL SEBACATE","110-40-7","CCOC(=O)CCCCCCCCC(=O)OCC","CCOC(=O)CCCCCCCCC(=O)OCC","CCOC(=O)CCCCCCCCC(=O)OCC","CCOC(=O)CCCCCCCCC(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1170,496,"METHYL DECANOATE","110-42-9","CCCCCCCCCC(=O)OC","CCCCCCCCCC(=O)OC","CCCCCCCCCC(=O)OC","CCCCCCCCCC(=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1171,3256,"2-HEPTANONE","110-43-0","CCCCCC(C)=O","CCCCCC(C)=O","CCCCCC(C)=O","CCCCCC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1172,3140,"SORBIC ACID","110-44-1","CC=CC=CC(=O)O","CC=CC=CC(=O)O","CC=CC=CC(=O)O","CC=CC=CC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1173,2823,"ISOAMYL FORMATE","110-45-2","CC(C)CCOC=O","CC(C)CCOC=O","CC(C)CCOC=O","CC(C)CCOC=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1174,2509,"2-METHOXYETHYL ACETATE","110-49-6","COCCOC(C)=O","COCCOC(C)=O","COCCOC(C)=O","COCCOC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1175,2381,"1,4-DIBROMOBUTANE","110-52-1","BrCCCCBr","BrCCCCBr","BrCCCCBr","BrCCCCBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1176,2511,"1-BROMOPENTANE","110-53-2","CCCCCBr","CCCCCBr","CCCCCBr","CCCCCBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1177,2857,"N-HEXANE","110-54-3","CCCCCC","CCCCCC","CCCCCC","CCCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1178,2384,"1,4-DICHLOROBUTANE","110-56-5","ClCCCCCl","ClCCCCCl","ClCCCCCl","ClCCCCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1179,2320,"1,4-DICHLORO-2-BUTENE(TRANS)","110-57-6",null,"ClCC=CCCl","ClCC=CCCl","ClCC=CCCl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","2680, 2913"]
[1180,2574,"N-PENTYLAMINE","110-58-7","CCCCCN","CCCCCN","CCCCCN","CCCCCN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1181,2286,"SUCCINONITRILE","110-61-2","N#CCCC#N","N#CCCC#N","N#CCCC#N","N#CCCC#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1182,2481,"1-PENTANAL","110-62-3","CCCCC=O","CCCCC=O","CCCCC=O","CCCCC=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2698"]
[1183,2238,"1,4-BUTANEDIOL","110-63-4","OCCCCO","OCCCCO","OCCCCO","OCCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1184,2340,"2-BUTYNE-1,4-DIOL","110-65-6","OCC#CCO","OCC#CCO","OCC#CCO","OCC#CCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1185,2573,"1-PENTANETHIOL","110-66-7","CCCCCS","CCCCCS","CCCCCS","CCCCCS",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1186,2575,"METHYLBUTYLAMINE","110-68-9","CCCCNC","CCCCNC","CCCCNC","CCCCNC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1187,2237,"ETHYLENE GLYCOL DIMETHYL ETHER","110-71-4","COCCOC","COCCOC","COCCOC","COCCOC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1188,2415,"PROPYL FORMATE","110-74-7","CCCOC=O","CCCOC=O","CCCOC=O","CCCOC=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1189,2363,"2-CHLOROETHYL VINYL ETHER","110-75-8","C=COCCCl","C=COCCCl","C=COCCCl","C=COCCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1190,2232,"2-Ethoxyethanol","110-80-5","CCOCCO","CCOCCO","CCOCCO","CCOCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1191,2250,"DIETHYL DISULFIDE","110-81-6","CCSSCC","CCSSCC","CCSSCC","CCSSCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1192,2766,"CYCLOHEXANE","110-82-7","C1CCCCC1","C1CCCCC1","C1CCCCC1","C1CCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1193,2708,"CYCLOHEXENE","110-83-8","C=1CCCCC1","C=1CCCCC1","C=1CCCCC1","C=1CCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1194,2219,"PIPERAZINE","110-85-0","C1NCCNC1","C1NCCNC1","C1NCCNC1","C1NCCNC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1585"]
[1195,2614,"PYRIDINE","110-86-1","c1ccncc1","c1ccncc1","c1ccncc1","c1ccncc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1196,2149,"1,3,5-TRIOXANE","110-88-3","C1OCOCO1","C1OCOCO1","C1OCOCO1","C1OCOCO1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1197,2520,"PIPERIDINE","110-89-4","C1CCNCC1","C1CCNCC1","C1CCNCC1","C1CCNCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1198,2445,"MORPHOLINE","110-91-8","C1NCCOC1","C1NCCOC1","C1NCCOC1","C1NCCOC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1199,2683,"PENTANEDIOC ACID","110-94-1",null,"O=C(O)CCCC(=O)O","O=C(O)CCCC(=O)O","O=C(O)CCCC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1200,null,"DIISOBUTYLAMINE","110-96-3","CC(C)CNCC(C)C","CCC(C)NC(C)CC","CC(C)CNCC(C)C","CC(C)CNCC(C)C",3,1,0,"NO","YES",null,null,"Eliminate","-","Stereochemistry removed, Missing/ambiguous"]
[1201,2918,"DIISOPROPANOLAMINE","110-97-4","CC(O)CNCC(C)O","CC(O)CNCC(C)O","CC(O)CNCC(C)O","CC(O)CNCC(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1202,2352,"Acetic acid, 2,2'-oxybis-","110-99-6","O=C(O)COCC(=O)O","O=C(O)COCC(=O)O","O=C(O)COCC(=O)O","O=C(O)COCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1203,4179,"METHYL OCTANOATE","111-11-5","CCCCCCCC(=O)OC","CCCCCCCC(=O)OC","CCCCCCCC(=O)OC","CCCCCCCC(=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1204,3763,"2-OCTANONE","111-13-7","CCCCCCC(C)=O","CCCCCCC(C)=O","CCCCCCC(C)=O","CCCCCCC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1205,3262,"HEPTANOIC ACID","111-14-8","CCCCCCC(=O)O","CCCCCCC(=O)O","CCCCCCC(=O)O","CCCCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1206,2829,"ethoxyethylacetate","111-15-9","CCOC(C)CC(=O)O","CCOCCOC(C)=O","CCOCCOC(C)=O","CCOCCOC(C)=O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[1207,3226,"PIMELIC ACID","111-16-0","O=C(O)CCCCCC(=O)O","O=C(O)CCCCCC(=O)O","O=C(O)CCCCCC(=O)O","O=C(O)CCCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1208,2740,"Propanoic acid, 3,3'-thiobis-","111-17-1","O=C(O)CCSCCC(=O)O","O=C(O)CCSCCC(=O)O","O=C(O)CCSCCC(=O)O","O=C(O)CCSCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1209,199,"DECANEDIOIC ACID","111-20-6","O=C(O)CCCCCCCCC(=O)O","O=C(O)CCCCCCCCC(=O)O","O=C(O)CCCCCCCCC(=O)O","O=C(O)CCCCCCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1210,2790,"triethyleneglycol,dinitrate","111-22-8","OCCOCCOCCO","O=[N+]([O-])OCCOCCOCCO[N+](=O)[O-]",null,"O=[N+]([O-])OCCOCCOCCO[N+](=O)[O-]",2,1,1,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[1211,2839,"1-BROMOHEXANE","111-25-1","CCCCCCBr","CCCCCCBr","CCCCCCBr","CCCCCCBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1212,2907,"N-HEXYLAMINE","111-26-2","CCCCCCN","CCCCCCN","CCCCCCN","CCCCCCN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1213,2872,"1-HEXANOL","111-27-3","CCCCCCO","CCCCCCO","CCCCCCO","CCCCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"4410"]
[1214,2800,"BUTYL VINYL ETHER","111-34-2","C=COCCCC","C=COCCCC","C=COCCCC","C=COCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1215,2270,"DIETHYLENETRIAMINE","111-40-0","NCCNCCN","NCCNCCN","NCCNCCN","NCCNCCN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1216,2267,"2-(2-AMINOETHYLAMINO)ETHANOL","111-41-1","NCCNCCO","NCCNCCO","NCCNCCO","NCCNCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1217,2261,"DIETHANOLAMINE","111-42-2","OCCNCCO","OCCNCCO","OCCNCCO","OCCNCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1218,2876,"DI(N-PROPYL) ETHER","111-43-3",null,"CCCOCCC","CCCOCCC","CCCOCCC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1219,2386,"BIS(2-CHLOROETHYL) ETHER","111-44-4","ClCCOCCCl","ClCCOCCCl","ClCCOCCCl","ClCCOCCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1220,2242,"DIETHYLENE GLYCOL","111-46-6","OCCOCCO","OCCOCCO","OCCOCCO","OCCOCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1221,2240,"2,2'-THIOBISETHANOL","111-48-8","OCCSCCO","OCCSCCO","OCCSCCO","OCCSCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1222,2842,"HEXAMETHYLENEIMINE","111-49-9","C1CCNCCC1","C1CCNCCC1","C1CCNCCC1","C1CCNCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1223,2736,"ethyleneglycoldiacetate","111-55-7","OCCO","CC(=O)OCCOC(C)=O","CC(=O)OCCOC(C)=O","CC(=O)OCCOC(C)=O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[1224,3792,"OCTANE","111-65-9","CCCCCCCC","CCCCCCCC","CCCCCCCC","CCCCCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1225,3754,"1-OCTENE","111-66-0","C=CCCCCCC","C=CCCCCCC","C=CCCCCCC","C=CCCCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1226,3128,"ADIPONITRILE","111-69-3","N#CCCCCC#N","N#CCCCCC#N","N#CCCCCC#N","N#CCCCCC#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1227,3307,"1-HEPTANOL","111-70-6","CCCCCCCO","CCCCCCCO","CCCCCCCO","CCCCCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"4871"]
[1228,3255,"HEPTANAL","111-71-7","CCCCCCC=O","CCCCCCC=O","CCCCCCC=O","CCCCCCC=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1229,2914,"Ethanol, 2-(butylamino)-","111-75-1","CCCCNCCO","CCCCNCCO","CCCCNCCO","CCCCNCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1230,2893,"2-BUTOXYETHANOL","111-76-2","CCCCOCCO","CCCCOCCO","CCCCOCCO","CCCCOCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1231,2569,"DIETHYLENE GLYCOL MONOMETHYL ETHER","111-77-3","COCCOCCO","COCCOCCO","COCCOCCO","COCCOCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1232,3785,"1-BROMOOCTANE","111-83-1","CCCCCCCCBr","CCCCCCCCBr","CCCCCCCCBr","CCCCCCCCBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1233,4191,"N-NONANE","111-84-2","CCCCCCCCC","CCCCCCCCC","CCCCCCCCC","CCCCCCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1234,3786,"1-CHLOROOCTANE","111-85-3","CCCCCCCCCl","CCCCCCCCCl","CCCCCCCCCl","CCCCCCCCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1235,3830,"N-OCTYLAMINE","111-86-4","CCCCCCCCN","CCCCCCCCN","CCCCCCCCN","CCCCCCCCN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1236,3800,"1-OCTANOL","111-87-5","CCCCCCCCO","CCCCCCCCO","CCCCCCCCO","CCCCCCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1237,2900,"DIETHYLENE GLYCOL MONOETHYL ETHER","111-90-0","CCOCCOCCO","CCOCCOCCO","CCOCCOCCO","CCOCCOCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1238,2473,"BIS(2-CHLOROETHOXY)METHANE","111-91-1","ClCCOCOCCCl","ClCCOCOCCCl","ClCCOCOCCCl","ClCCOCOCCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1239,3832,"DIBUTYLAMINE","111-92-2","CCCCNCCCC","CCCCNCCCC","CCCCNCCCC","CCCCNCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1240,2902,"2-METHOXYETHYLETHER","111-96-6","COCCOCCOC","COCCOCCOC","COCCOCCOC","COCCOCCOC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1241,4178,"NONANOIC ACID","112-05-0","CCCCCCCCC(=O)O","CCCCCCCCC(=O)O","CCCCCCCCC(=O)O","CCCCCCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1242,3776,"2-butoxyethanolacetate","112-07-2","CCCCOCCO","CCCCOCCOC(C)=O","CCCCOCCOC(C)=O","CCCCOCCOC(C)=O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[1243,3782,"CARBITOL ACETATE","112-15-2","CCOCCOCCOC(C)=O","CCOCCOCCOC(C)=O","CCOCCOCCOC(C)=O","CCOCCOCCOC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1244,2927,"TRIETHYLENETETRAAMINE","112-24-3","NCCNCCNCCN","NCCNCCNCCN","NCCNCCNCCN","NCCNCCNCCN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1245,3817,"ETHANOL, 2-(HEXYLOXY)-","112-25-4","CCCCCCOCCO","CCCCCCOCCO","CCCCCCOCCO","CCCCCCOCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1246,2771,"1,2-BIS(2-CHLOROETHOXY)ETHANE","112-26-5","ClCCOCCOCCCl","ClCCOCCOCCCl","ClCCOCCOCCCl","ClCCOCCOCCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1247,2903,"TRIETHYLENE GLYCOL","112-27-6","OCCOCCOCCO","OCCOCCOCCO","OCCOCCOCCO","OCCOCCOCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1248,236,"1-DECANOL","112-30-1","CCCCCCCCCCO","CCCCCCCCCCO","CCCCCCCCCCO","CCCCCCCCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1249,3822,"DIETHYLENE GLYCOL MONO-N-BUTYL ETHER","112-34-5","CCCCOCCOCCO","CCCCOCCOCCO","CCCCOCCOCCO","CCCCOCCOCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1250,3328,"methoxytriethyleneglycol","112-35-6","COC(O)COCCOCCO","COCCOCCOCCO",null,"COCCOCCOCCO",2,1,1,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[1251,null,"BIS (2-ETHOXY ETHYL)  ETHER","112-36-7","BIS","BIS","BIS","BIS",4,0,0,"NO","NO",null,null,"Eliminate","-","Organic counterion, Unusual elements, Inorganic"]
[1252,495,"UNDECANOIC ACID","112-37-8","CCCCCCCCCCC(=O)O","CCCCCCCCCCC(=O)O","CCCCCCCCCCC(=O)O","CCCCCCCCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1253,477,"UNDECYLENIC ACID","112-38-9","C=CCCCCCCCCC(=O)O","C=CCCCCCCCCC(=O)O","C=CCCCCCCCCC(=O)O","C=CCCCCCCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1254,711,"DODECANE","112-40-3","CCCCCCCCCCCC","CCCCCCCCCCCC","CCCCCCCCCCCC","CCCCCCCCCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1255,240,"1,10-Decanediol","112-47-0","OCCCCCCCCCCO","OCCCCCCCCCCO","OCCCCCCCCCCO","OCCCCCCCCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1256,239,"1,2-DIBUTOXYETHANE","112-48-1","CCCCOCCOCCCC","CCCCOCCOCCCC","CCCCOCCOCCCC","CCCCOCCOCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1257,3826,"ethoxytriethyleneglycol","112-50-5","CCOC(O)COCCOCCO","CCOCCOCCOCCO","CCOCCOCCOCCO","CCOCCOCCOCCO",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[1258,712,"DODECANOL","112-53-8","CCCCCCCCCCCCO","CCCCCCCCCCCCO","CCCCCCCCCCCCO","CCCCCCCCCCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1259,3847,"TETRAETHYLENEPENTAMINE","112-57-2","NCCNCCNCCNCCN","NCCNCCNCCNCCN","NCCNCCNCCNCCN","NCCNCCNCCNCCN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1260,241,"ETHANOL, 2- 2-(HEXYLOXY)ETHOXY -","112-59-4",null,"CCCCCCOCCOCCO","CCCCCCOCCOCCO","CCCCCCOCCOCCO",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1261,3828,"TETRAETHYLENE GLYCOL","112-60-7","OCCOCCOCCOCCO","OCCOCCOCCOCCO","OCCOCCOCCOCCO","OCCOCCOCCOCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1262,1081,"Dodine","112-65-2","CCCCCCCCCCCCN=C(N)N","CCCCCCCCCCCCN=C(N)N","CCCCCCCCCCCCNC(=N)N","CCCCCCCCCCCCNC(=N)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions","3209"]
[1263,1232,"1-TETRADECANOL","112-72-1","CCCCCCCCCCCCCCO","CCCCCCCCCCCCCCO","CCCCCCCCCCCCCCO","CCCCCCCCCCCCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1264,713,"DIETHYLENE GLYCOL DIBUTYL ETHER","112-73-2","CCCCOCCOCCOCCCC","CCCCOCCOCCOCCCC","CCCCOCCOCCOCCCC","CCCCOCCOCCOCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1265,1816,"DOCOSANOIC ACID","112-85-6","CCCCCCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCCCCCC(=O)O","CCCCCCCCCCCCCCCCCCCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1266,1599,"1-OCTADECANOL","112-92-5","CCCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1267,1725,"EICOSANE","112-95-8","CCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1268,4366,"GUANIDINE","113-00-8","N=C(N)N","N=C(N)N","N=C(N)N","N=C(N)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[1269,440,"PROPOXUR","114-26-1","CNC(=O)Oc1c(cccc1)OC(C)C","CNC(=O)Oc1c(cccc1)OC(C)C","CNC(=O)Oc1c(cccc1)OC(C)C",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1270,2109,"PROPENE","115-07-1","C=CC","C=CC","C=CC","C=CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1271,1998,"DIMETHYL ETHER","115-10-6","COC","COC","COC","COC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1272,2380,"ISOBUTENE","115-11-7","C=C(C)C","C=C(C)C","C=C(C)C","C=C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1273,2487,"3-Buten-2-ol, 2-methyl-","115-18-4","C=CC(C)(C)O","C=CC(C)(C)O","C=CC(C)(C)O","C=CC(C)(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1274,2670,"2-METHYL-3-BUTYN-2-OL","115-19-5","C#CC(C)(C)O","C#CC(C)(C)O","C#CC(C)(C)O","C#CC(C)(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1275,1936,"2,2,2-TRICHLOROETHANOL","115-20-8","OCC(Cl)(Cl)Cl","OCC(Cl)(Cl)Cl","OCC(Cl)(Cl)Cl","OCC(Cl)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1276,3329,"2,2-BIS(ETHYLSULFONYL)PROPANE","115-24-2","CCS(=O)(=O)C(C)(C)S(=O)(=O)CC","CCS(=O)(=O)C(C)(C)S(=O)(=O)CC","CCS(=O)(=O)C(C)(C)S(=O)(=O)CC","CCS(=O)(=O)C(C)(C)S(=O)(=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1277,2215,"PERFLUOROCYCLOBUTANE","115-25-3","FC1(C(C(C1(F)F)(F)F)(F)F)F","FC1(C(C(C1(F)F)(F)F)(F)F)F","FC1(C(C(C1(F)F)(F)F)(F)F)F","FC1(C(C(C1(F)F)(F)F)(F)F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1278,2266,"DIMEFOX","115-26-4","CN(C)P(=O)(F)N(C)C","CN(C)P(=O)(F)N(C)C","CN(C)P(=O)(F)N(C)C","CN(C)P(=O)(F)N(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1279,4223,"CHLORENDIC ACID","115-28-6","O=C(O)C1C2(C(=C(C(C1C(=O)O)(C2(Cl)Cl)Cl)Cl)Cl)Cl","O=C(O)C1C2(C(=C(C(C1C(=O)O)(C2(Cl)Cl)Cl)Cl)Cl)Cl","O=C(O)C1C2(C(=C(C(C1C(=O)O)(C2(Cl)Cl)Cl)Cl)Cl)Cl","O=C(O)C1C2(C(=C(C(C1C(=O)O)(C2(Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1280,4231,"ENDOSULFAN","115-29-7","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"2776, 4558"]
[1281,1257,"DICOFOL","115-32-2","OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C(Cl)(Cl)Cl","OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C(Cl)(Cl)Cl","OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C(Cl)(Cl)Cl","OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C(Cl)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1282,1637,"PARAMORPHINE","115-37-7","COC=1C2C34C(=CC1)C(N(CC3)C)Cc5c4c(c(cc5)OC)O2","COC=1C2C34C(=CC1)C(N(CC3)C)Cc5c4c(c(cc5)OC)O2","COC=1C2C34C(=CC1)C(N(CC3)C)Cc5c4c(c(cc5)OC)O2","COC=1C2C34C(=CC1)C(N(CC3)C)Cc5c4c(c(cc5)OC)O2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1283,1001,"PHENALLYMAL","115-43-5","C=CCC1(C(NC(NC1=O)=O)=O)c2ccccc2","C=CCC1(C(NC(NC1=O)=O)=O)c2ccccc2","C=CCC1(C(NC(NC1=O)=O)=O)c2ccccc2","C=CCC1(C(NC(NC1=O)=O)=O)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1284,4452,"barbituricacid,5-et-5-amyl","115-58-2",null,"CCCCCC1(C(NC(NC1=O)=O)=O)CC",null,"CCCCCC1(C(NC(NC1=O)=O)=O)CC",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[1285,2260,"2-amino-2-methylpropanediol","115-69-5","CC(C)(N)C(O)O","CC(N)(CO)CO","CC(N)(CO)CO","CC(N)(CO)CO",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[1286,2579,"1,3-Propanediol, 2-amino-2-ethyl-","115-70-8","CCC(N)(CO)CO","CCC(N)(CO)CO","CCC(N)(CO)CO","CCC(N)(CO)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1287,3327,"2,2-DIETHYL-1,3-PROPANEDIOL","115-76-4","CCC(CC)(CO)CO","CCC(CC)(CO)CO","CCC(CC)(CO)CO","CCC(CC)(CO)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1288,2570,"PENTAERYTHRITOL","115-77-5","OCC(CO)(CO)CO","OCC(CO)(CO)CO","OCC(CO)(CO)CO","OCC(CO)(CO)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1289,1548,"TRIPHENYLPHOSPHATE","115-86-6","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3","O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1290,1711,"octyldiphenylphosphate","115-88-8",null,"CCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2",null,"CCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[1291,1008,"diphenylmethylphosphate","115-89-9","O=P(O)(O)OC(c1ccccc1)c2ccccc2","COP(=O)(Oc1ccccc1)Oc2ccccc2",null,"COP(=O)(Oc1ccccc1)Oc2ccccc2",2,1,1,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[1292,462,"FENSULFOTHION","115-90-2","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1293,2775,"TRI-2-CHLOROETHYL PHOSPHATE","115-96-8",null,"O=P(OCCCl)(OCCCl)OCCCl","O=P(OCCCl)(OCCCl)OCCCl","O=P(OCCCl)(OCCCl)OCCCl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1294,2871,"ETHOATE METHYL","116-01-8","CCNC(=O)CSP(=S)(OC)OC","CCNC(=O)CSP(=S)(OC)OC","CCNC(=O)CSP(=S)(OC)OC","CCNC(=O)CSP(=S)(OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1295,3246,"ALDICARB","116-06-3","CNC(=O)ON=CC(C)(C)SC","CNC(=O)ON=CC(C)(C)SC","CNC(=O)ON=CC(C)(C)SC","CNC(=O)ON=CC(C)(C)SC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1296,2145,"HYDROXYACETONE","116-09-6","CC(=O)CO","CC(=O)CO","CC(=O)CO","CC(=O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1297,2412,"ISOPROPENYL METHYL ETHER","116-11-0","C=C(C)OC","C=C(C)OC","C=C(C)OC","C=C(C)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1298,1898,"TETRAFLUOROETHYLENE","116-14-3","FC(F)=C(F)F","FC(F)=C(F)F","FC(F)=C(F)F","FC(F)=C(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1299,2713,"1-(Hydroxymethyl)-5,5-dimethylhydantoin","116-25-6","CC1(N(C(NC1=O)=O)CO)C","CC1(N(C(NC1=O)=O)CO)C","CC1(N(C(NC1=O)=O)CO)C","CC1(N(C(NC1=O)=O)CO)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1300,860,"TETRADIFON","116-29-0","O=S(=O)(c1ccc(cc1)Cl)c2c(cc(c(c2)Cl)Cl)Cl","O=S(=O)(c1ccc(cc1)Cl)c2c(cc(c(c2)Cl)Cl)Cl","O=S(=O)(c1ccc(cc1)Cl)c2c(cc(c(c2)Cl)Cl)Cl","O=S(=O)(c1ccc(cc1)Cl)c2c(cc(c(c2)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1301,11,"Sulfapyrazine","116-44-9","Nc1ccc(cc1)S(=O)(=O)Nc2nccnc2","Nc1ccc(cc1)S(=O)(=O)Nc2nccnc2","Nc1ccc(cc1)S(=O)(=O)Nc2nccnc2","Nc1ccc(cc1)S(=O)(=O)Nc2nccnc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1302,3519,"Benzenesulfonamide, 4-amino-N-cyano-","116-47-2","N#CNS(=O)(=O)c1ccc(cc1)N","N#CNS(=O)(=O)c1ccc(cc1)N","N#CNS(=O)(=O)c1ccc(cc1)N","N#CNS(=O)(=O)c1ccc(cc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1303,2494,"BUTANOIC ACID, 2-METHYL-","116-53-0","CCC(C)C(=O)O","CCC(C)C(=O)O","CCC(C)C(=O)O","CCC(C)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1304,1262,"1-AMINO-4-HYDROXYANTHRAQUINONE","116-85-8","Nc1c2c(c(cc1)O)C(c3c(C2=O)cccc3)=O","Nc1c2c(c(cc1)O)C(c3c(C2=O)cccc3)=O","Nc1c2c(c(cc1)O)C(c3c(C2=O)cccc3)=O","Nc1c2c(c(cc1)O)C(c3c(C2=O)cccc3)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1305,1252,"1,5-anthraquinonedisulfonicacid","117-14-6","O=C1c2c(=CC=C1)cc3C(C(=C(C=c3c2)S(=O)(=O)O)S(=O)(=O)O)=O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)cccc2S(=O)(=O)O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)cccc2S(=O)(=O)O","O=C1c2c(C(c3c1cccc3S(=O)(=O)O)=O)cccc2S(=O)(=O)O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[1306,3166,"2,3,5,6-TETRACHLORONITROBENZENE","117-18-0","O=[N+]([O-])c1c(c(cc(c1Cl)Cl)Cl)Cl","O=[N+]([O-])c1c(c(cc(c1Cl)Cl)Cl)Cl","O=[N+]([O-])c1c(c(cc(c1Cl)Cl)Cl)Cl","O=[N+]([O-])c1c(c(cc(c1Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1307,1132,"DIPHENYLACETIC ACID","117-34-0","O=C(O)C(c1ccccc1)c2ccccc2","O=C(O)C(c1ccccc1)c2ccccc2","O=C(O)C(c1ccccc1)c2ccccc2","O=C(O)C(c1ccccc1)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1308,1271,"QUERCETIN","117-39-5","O=c1c2c(oc(c1O)-c3cc(c(cc3)O)O)cc(O)cc2O","O=c1c2c(oc(c1O)-c3cc(c(cc3)O)O)cc(O)cc2O","O=c1c2c(oc(c1O)-c3cc(c(cc3)O)O)cc(O)cc2O","O=c1c2c(oc(c1O)-c3cc(c(cc3)O)O)cc(O)cc2O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1309,1260,"2-AMINOANTHRAQUINONE","117-79-3","Nc1cc2c(cc1)C(c3c(C2=O)cccc3)=O","Nc1cc2c(cc1)C(c3c(C2=O)cccc3)=O","Nc1cc2c(cc1)C(c3c(C2=O)cccc3)=O","Nc1cc2c(cc1)C(c3c(C2=O)cccc3)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1310,254,"DICHLONE","117-80-6","O=C1c2c(C(C(=C1Cl)Cl)=O)cccc2","O=C1c2c(C(C(=C1Cl)Cl)=O)cccc2","O=C1c2c(C(C(=C1Cl)Cl)=O)cccc2","O=C1c2c(C(C(=C1Cl)Cl)=O)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1311,1851,"BIS(2-ETHYLHEXYL)PHTHALATE","117-81-7","CCCCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1312,1192,"bis(methoxyethyl)phthalate","117-82-8","COC(C)OC(=O)c1c(cccc1)C(=O)OC(C)OC","COCCOC(=O)c1c(cccc1)C(=O)OCCOC","COCCOC(=O)c1c(cccc1)C(=O)OCCOC","COCCOC(=O)c1c(cccc1)C(=O)OCCOC",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[1313,1850,"dioctylphthalate","117-84-0","CCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC","CCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC","CCCCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC","CCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[1314,4591,"trifluorperazine","117-89-5",null,"CN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3",null,"CN1CCN(CC1)CCCN2c3c(Sc4c2cccc4)ccc(C(F)(F)F)c3",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[1315,94,"GUANOSINE","118-00-3","Nc1[nH]c(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)=O","Nc1[nH]c2c(c(n1)=O)ncn2C3C(C(C(O3)CO)O)O","Nc1[nH]c2c(c(n1)=O)ncn2C3C(C(C(O3)CO)O)O","Nc1[nH]c2c(c(n1)=O)ncn2C3C(C(C(O3)CO)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1316,1736,"HYDRASTINE","118-08-1","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3cc5OCOc5c4)C)OC","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3cc5OCOc5c4)C)OC","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3cc5OCOc5c4)C)OC","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3cc5OCOc5c4)C)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1317,1638,"CINCHONINE","118-10-5","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1862"]
[1318,340,"2-NAPHTHYLAMINE-5,7-DISULFONIC ACID","118-33-2","Nc1cc2c(cc1)c(S(=O)(=O)O)cc(S(=O)(=O)O)c2","Nc1cc2c(cc1)c(S(=O)(=O)O)cc(S(=O)(=O)O)c2","Nc1cc2c(cc1)c(S(=O)(=O)O)cc(S(=O)(=O)O)c2","Nc1cc2c(cc1)c(S(=O)(=O)O)cc(S(=O)(=O)O)c2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1319,590,"1-NAPHTHALENAMINE, N-ETHYL-","118-44-5","CCNc1c2c(ccc1)cccc2","CCNc1c2c(ccc1)cccc2","CCNc1c2c(ccc1)cccc2","CCNc1c2c(ccc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1320,2626,"1,3-DICHLORO-5,5-DIMETHYLHYDANTOIN","118-52-5","CC1(N(C(N(C1=O)Cl)=O)Cl)C","CC1(N(C(N(C1=O)Cl)=O)Cl)C","CC1(N(C(N(C1=O)Cl)=O)Cl)C","CC1(N(C(N(C1=O)Cl)=O)Cl)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1321,977,"PHENYL 2-HYDROXYBENZOATE","118-55-8","O=C(Oc1ccccc1)c2c(cccc2)O","O=C(Oc1ccccc1)c2c(cccc2)O","O=C(Oc1ccccc1)c2c(cccc2)O","O=C(Oc1ccccc1)c2c(cccc2)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1322,3092,"4H-PYRAN-4-ONE, 3-HYDROXY-2-METHYL-","118-71-8","Cc1c(c(cco1)=O)O","Cc1c(c(cco1)=O)O","Cc1c(c(cco1)=O)O","Cc1c(c(cco1)=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1323,2707,"HEXACHLOROBENZENE","118-74-1","Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1324,2705,"CHLORANIL","118-75-2","O=C1C(=C(C(C(=C1Cl)Cl)=O)Cl)Cl","O=C1C(=C(C(C(=C1Cl)Cl)=O)Cl)Cl","O=C1C(=C(C(C(=C1Cl)Cl)=O)Cl)Cl","O=C1C(=C(C(C(=C1Cl)Cl)=O)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1325,2947,"2,4,6-TRIBROMOPHENOL","118-79-6","Oc1c(cc(cc1Br)Br)Br","Oc1c(cc(cc1Br)Br)Br","Oc1c(cc(cc1Br)Br)Br","Oc1c(cc(cc1Br)Br)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1326,3347,"4-CHLORO-1-NITRO-2(TRIFLUOROMETHYL)BENZENE","118-83-2","O=[N+]([O-])c1c(cc(cc1)Cl)C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)Cl)C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)Cl)C(F)(F)F","O=[N+]([O-])c1c(cc(cc1)Cl)C(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1327,3956,"O-TOLUIC ACID","118-90-1","Cc1c(cccc1)C(=O)O","Cc1c(cccc1)C(=O)O","Cc1c(cccc1)C(=O)O","Cc1c(cccc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1328,3397,"2-CHLOROBENZOIC ACID","118-91-2","O=C(O)c1c(cccc1)Cl","O=C(O)c1c(cccc1)Cl","O=C(O)c1c(cccc1)Cl","O=C(O)c1c(cccc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1329,3531,"2-AMINOBENZOIC ACID","118-92-3","Nc1c(cccc1)C(=O)O","Nc1c(cccc1)C(=O)O","Nc1c(cccc1)C(=O)O","Nc1c(cccc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1330,3410,"2,4,6-TRINITROTOLUENE","118-96-7","Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1331,1176,"PYRIDAPHENTHION","119-12-0","CCOP(=S)(OCC)Oc1nn(c(cc1)=O)-c2ccccc2","CCOP(=S)(OCC)Oc1nn(c(cc1)=O)-c2ccccc2","CCOP(=S)(OCC)Oc1nn(c(cc1)=O)-c2ccccc2","CCOP(=S)(OCC)Oc1nn(c(cc1)=O)-c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1332,952,"P-(2,4-DINITROANILINE)PHENOL","119-15-3","O=[N+]([O-])c1cc(c(cc1)Nc2ccc(cc2)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(cc1)Nc2ccc(cc2)O)[N+](=O)[O-]",null,"O=[N+]([O-])c1cc(c(cc1)Nc2ccc(cc2)O)[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1333,null,"2-naphthalenesulfonicacid,4-hydroxy-6-(phenyla","119-19-7",null,"O=S(=O)(O)c1cc2c(c(c1)O)cc(Nc3ccccc3)cc2",null,"O=S(=O)(O)c1cc2c(c(c1)O)cc(Nc3ccccc3)cc2",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[1334,3458,"2,4-DINITROANISOLE","119-27-7","COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1335,3539,"4-METHYL-2-NITROPHENOL","119-33-5","Cc1cc(c(cc1)O)[N+](=O)[O-]","Cc1cc(c(cc1)O)[N+](=O)[O-]","Cc1cc(c(cc1)O)[N+](=O)[O-]","Cc1cc(c(cc1)O)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1336,3961,"METHYL SALICYLATE","119-36-8","COC(=O)c1c(cccc1)O","COC(=O)c1c(cccc1)O","COC(=O)c1c(cccc1)O","COC(=O)c1c(cccc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1337,178,"ISOLAN","119-38-0","Cc1nn(c(c1)OC(=O)N(C)C)C(C)C","Cc1nn(c(c1)OC(=O)N(C)C)C(C)C","Cc1nn(c(c1)OC(=O)N(C)C)C(C)C","Cc1nn(c(c1)OC(=O)N(C)C)C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1338,1835,"BIS (2-HYDROXY-3TERT-BUTYL-5-METHYLPHENYL) METHA","119-47-1",null,"Cc1cc(c(c(c1)Cc2c(c(cc(c2)C)C(C)(C)C)O)O)C(C)(C)C","Cc1cc(c(c(c1)Cc2c(c(cc(c2)C)C(C)(C)C)O)O)C(C)(C)C","Cc1cc(c(c(c1)Cc2c(c(cc(c2)C)C(C)(C)C)O)O)C(C)(C)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1339,1724,"Dimorpholamine","119-48-2","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2","CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1340,1130,"BENZOIN","119-53-9","O=C(c1ccccc1)C(O)c2ccccc2","O=C(c1ccccc1)C(O)c2ccccc2","O=C(c1ccccc1)C(O)c2ccccc2","O=C(c1ccccc1)C(O)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2221"]
[1341,984,"BENZENEMETHANOL, 4-CHLORO-.ALPHA.-PHENYL-","119-56-2","OC(c1ccccc1)c2ccc(cc2)Cl","OC(c1ccccc1)c2ccc(cc2)Cl","OC(c1ccccc1)c2ccc(cc2)Cl","OC(c1ccccc1)c2ccc(cc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1342,976,"BENZOPHENONE","119-61-9","O=C(c1ccccc1)c2ccccc2","O=C(c1ccccc1)c2ccccc2","O=C(c1ccccc1)c2ccccc2","O=C(c1ccccc1)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1343,49,"TETRALIN","119-64-2","c1cc2c(cc1)CCCC2","c1cc2c(cc1)CCCC2","c1cc2c(cc1)CCCC2","c1cc2c(cc1)CCCC2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1344,4249,"ISOQUINOLINE","119-65-3","c1cc2c(cc1)cncc2","c1cc2c(cc1)cncc2","c1cc2c(cc1)cncc2","c1cc2c(cc1)cncc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1345,3996,"Benzoic acid, 2-(methylamino)-","119-68-6","CNc1c(cccc1)C(=O)O","CNc1c(cccc1)C(=O)O","CNc1c(cccc1)C(=O)O","CNc1c(cccc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1346,4283,"2H-1-Benzopyran-2-one, 3,4-dihydro-","119-84-6","O=C1Oc2c(CC1)cccc2","O=C1Oc2c(CC1)cccc2","O=C1Oc2c(CC1)cccc2","O=C1Oc2c(CC1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1347,1168,"3,3'-DIMETHOXYBENZIDINE","119-90-4","COc1c(ccc(c1)-c2cc(c(cc2)N)OC)N","COc1c(ccc(c1)-c2cc(c(cc2)N)OC)N","COc1c(ccc(c1)-c2cc(c(cc2)N)OC)N","COc1c(ccc(c1)-c2cc(c(cc2)N)OC)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1348,1540,"2,2'-BIQUINOLINE","119-91-5","c1cc2c(cc1)nc(-c3nc4c(cc3)cccc4)cc2","c1cc2c(cc1)nc(-c3nc4c(cc3)cccc4)cc2","c1cc2c(cc1)nc(-c3nc4c(cc3)cccc4)cc2","c1cc2c(cc1)nc(-c3nc4c(cc3)cccc4)cc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1349,1167,"bianisidine","119-93-7","Nc1ccc(cc1)OCCOc2ccc(cc2)N","Cc1c(ccc(c1)-c2cc(c(cc2)N)C)N","Cc1c(ccc(c1)-c2cc(c(cc2)N)C)N","Cc1c(ccc(c1)-c2cc(c(cc2)N)C)N",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[1350,148,"PHENYLDIETHANOLAMINE","120-07-0","OCCN(CCO)c1ccccc1","OCCN(CCO)c1ccccc1","OCCN(CCO)c1ccccc1","OCCN(CCO)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1351,1097,"ANTHRACENE","120-12-7","c1cc2c(cc1)cc3c(cccc3)c2","c1cc2c(cc1)cc3c(cccc3)c2",null,"c1cc2c(cc1)cc3c(cccc3)c2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1352,4037,"BENZALDEHYDE, 3,4-DIMETHOXY-","120-14-9","COc1c(cc(cc1)C=O)OC","COc1c(cc(cc1)C=O)OC","COc1c(cc(cc1)C=O)OC","COc1c(cc(cc1)C=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1353,318,"NAPHTHALENE-2-SULFONIC ACID","120-18-3","O=S(=O)(O)c1cc2c(cc1)cccc2","O=S(=O)(O)c1cc2c(cc1)cccc2","O=S(=O)(O)c1cc2c(cc1)cccc2","O=S(=O)(O)c1cc2c(cc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1354,78,"Benzaldehyde, 4-ethoxy-3-methoxy-","120-25-2","CCOc1c(cc(cc1)C=O)OC","CCOc1c(cc(cc1)C=O)OC","CCOc1c(cc(cc1)C=O)OC","CCOc1c(cc(cc1)C=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1355,983,"5-CHLORO-2-HYDROXYDIPHENYLMETHANE","120-32-1","Oc1c(cc(cc1)Cl)Cc2ccccc2","Oc1c(cc(cc1)Cl)Cc2ccccc2","Oc1c(cc(cc1)Cl)Cc2ccccc2","Oc1c(cc(cc1)Cl)Cc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1356,4267,"DICHLORPROP","120-36-5","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"4060"]
[1357,4039,"P-HYDROXYBENZOIC ACID,ETHYL ESTER","120-47-8",null,"CCOC(=O)c1ccc(cc1)O","CCOC(=O)c1ccc(cc1)O","CCOC(=O)c1ccc(cc1)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1358,3894,"PIPERONAL","120-57-0","O=Cc1cc2c(cc1)OCO2","O=Cc1cc2c(cc1)OCO2","O=Cc1cc2c(cc1)OCO2","O=Cc1cc2c(cc1)OCO2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1359,18,"DIMETHYLTEREPHTHALATE","120-61-6","COC(=O)c1ccc(cc1)C(=O)OC","COC(=O)c1ccc(cc1)C(=O)OC","COC(=O)c1ccc(cc1)C(=O)OC","COC(=O)c1ccc(cc1)C(=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1360,3915,"INDOLE","120-72-9","c1cc2c(cc1)[nH]cc2","c1cc2c(cc1)[nH]cc2","c1cc2c(cc1)[nH]cc2","c1cc2c(cc1)[nH]cc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1361,2597,"1H-PURINE","120-73-0","c1nc2-c(n1)c[nH]cn2","c1nc2c(cn1)[nH]cn2","c1nc2c(cn1)nc[nH]2","c1nc2c(cn1)nc[nH]2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1362,1243,"2,2'-DITHIOBISBENZOTHIAZOLE","120-78-5","c1cc2c(cc1)sc(SSc3sc4c(n3)cccc4)n2","c1cc2c(cc1)sc(SSc3sc4c(n3)cccc4)n2","c1cc2c(cc1)sc(SSc3sc4c(n3)cccc4)n2","c1cc2c(cc1)sc(SSc3sc4c(n3)cccc4)n2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1363,3089,"CATECHOL","120-80-9","Oc1c(cccc1)O","Oc1c(cccc1)O","Oc1c(cccc1)O","Oc1c(cccc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1364,2953,"1,2,4-TRICHLOROBENZENE","120-82-1","Clc1cc(c(cc1)Cl)Cl","Clc1cc(c(cc1)Cl)Cl","Clc1cc(c(cc1)Cl)Cl","Clc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1365,2990,"2,4-DICHLOROPHENOL","120-83-2","Oc1c(cc(cc1)Cl)Cl","Oc1c(cc(cc1)Cl)Cl","Oc1c(cc(cc1)Cl)Cl","Oc1c(cc(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1366,2053,"Imidazolidinetrione","120-89-8","O=C1NC(C(N1)=O)=O","O=C1NC(C(N1)=O)=O","O=C1NC(C(N1)=O)=O","O=C1NC(C(N1)=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1367,3548,"BENZENESULFONIC ACID, 2-METHYL-5-NITRO-","121-03-9","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)O","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)O","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)O","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1368,3454,"2,4-DINITROTOLUENE","121-14-2","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1369,1751,"PYRETHRIN I","121-21-1","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1370,1802,"PYRETHRIN II","121-29-9","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C(=O)OC)(C)C)=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C(=O)OC)(C)C)=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C(=O)OC)(C)C)=O","C=CC=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C(=O)OC)(C)C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1371,4040,"BENZALDEHYDE, 3-ETHOXY-4-HYDROXY-","121-32-4","CCOc1c(ccc(c1)C=O)O","CCOc1c(ccc(c1)C=O)O","CCOc1c(ccc(c1)C=O)O","CCOc1c(ccc(c1)C=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1372,3962,"VANILLIN","121-33-5","COc1c(ccc(c1)C=O)O","COc1c(ccc(c1)C=O)O","COc1c(ccc(c1)C=O)O","COc1c(ccc(c1)C=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1373,3971,"4-HYDROXY-3-METHOXYBENZOIC ACID","121-34-6","COc1c(ccc(c1)C(=O)O)O","COc1c(ccc(c1)C(=O)O)O","COc1c(ccc(c1)C(=O)O)O","COc1c(ccc(c1)C(=O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1374,2911,"TRIETHYLAMINE","121-44-8","CCN(CC)CC","CCN(CC)CC","CCN(CC)CC","CCN(CC)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1375,3120,"BENZENESULFONIC ACID, 4-AMINO-","121-57-3","Nc1ccc(cc1)S(=O)(=O)O","Nc1ccc(cc1)S(=O)(=O)O","Nc1ccc(cc1)S(=O)(=O)O","Nc1ccc(cc1)S(=O)(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1376,3630,"ACETAMIDE, N-[4-(AMINOSULFONYL)PHENYL]","121-61-9","CC(=O)Nc1ccc(cc1)S(N)(=O)=O","CC(=O)Nc1ccc(cc1)S(N)(=O)=O",null,"CC(=O)Nc1ccc(cc1)S(N)(=O)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1377,3679,"N,N-DIMETHYLANILINE","121-69-7","CN(C)c1ccccc1","CN(C)c1ccccc1","CN(C)c1ccccc1","CN(C)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1378,3003,"3-CHLORO-NITROBENZENE","121-73-3","O=[N+]([O-])c1cc(ccc1)Cl","O=[N+]([O-])c1cc(ccc1)Cl","O=[N+]([O-])c1cc(ccc1)Cl","O=[N+]([O-])c1cc(ccc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1379,212,"MALATHION","121-75-5","CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC","CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC","CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1380,83,"PROPYL GALLATE","121-79-9","CCCOC(=O)c1cc(c(c(c1)O)O)O","CCCOC(=O)c1cc(c(c(c1)O)O)O","CCCOC(=O)c1cc(c(c(c1)O)O)O","CCCOC(=O)c1cc(c(c(c1)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1381,2135,"1,3,5,-TRINITROHEXAHYDRO-1,3,5-TRIAZINE","121-82-4",null,"O=[N+]([O-])N1CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])N1CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])N1CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1382,3899,"ISOPHTHALIC ACID","121-91-5","O=C(O)c1cc(ccc1)C(=O)O","O=C(O)c1cc(ccc1)C(=O)O","O=C(O)c1cc(ccc1)C(=O)O","O=C(O)c1cc(ccc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1383,3426,"M-NITROBENZOIC ACID","121-92-6","O=C(O)c1cc(ccc1)[N+](=O)[O-]","O=C(O)c1cc(ccc1)[N+](=O)[O-]","O=C(O)c1cc(ccc1)[N+](=O)[O-]","O=C(O)c1cc(ccc1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1384,4038,"P-ANISIC ACID, METHYL ESTER","121-98-2","COC(=O)c1ccc(cc1)OC","COC(=O)c1ccc(cc1)OC","COC(=O)c1ccc(cc1)OC","COC(=O)c1ccc(cc1)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1385,4025,"P-METHYLACETOPHENONE","122-00-9","CC(=O)c1ccc(cc1)C","CC(=O)c1ccc(cc1)C","CC(=O)c1ccc(cc1)C","CC(=O)c1ccc(cc1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1386,618,"SULFADIMETHOXINE","122-11-2","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)OC","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)OC","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)OC","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1387,4096,"FENITROTHION","122-14-5","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])C","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])C","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])C","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1388,459,"DIMETAN","122-15-6","CN(C)C(=O)OC=1CC(CC(C1)=O)(C)C","CN(C)C(=O)OC=1CC(CC(C1)=O)(C)C","CN(C)C(=O)OC=1CC(CC(C1)=O)(C)C","CN(C)C(=O)OC=1CC(CC(C1)=O)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1389,4211,"2-Propanol, 1,1',1''-nitrilotris-","122-20-3","CC(O)CN(CC(C)O)CC(C)O","CC(O)CN(CC(C)O)CC(C)O","CC(O)CN(CC(C)O)CC(C)O","CC(O)CN(CC(C)O)CC(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1390,3195,"SIMAZINE","122-34-9","CCNc1nc(nc(n1)Cl)NCC","CCNc1nc(nc(n1)Cl)NCC","CCNc1nc(nc(n1)Cl)NCC",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1391,558,"DIPHENYLAMINE","122-39-4","c1ccc(cc1)Nc2ccccc2","c1ccc(cc1)Nc2ccccc2","c1ccc(cc1)Nc2ccccc2","c1ccc(cc1)Nc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1392,100,"isopropylphenylcarbamate","122-42-9",null,"CC(C)OC(=O)Nc1ccccc1",null,"CC(C)OC(=O)Nc1ccccc1",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[1393,3970,"PHENOXYACETIC ACID","122-59-8","O=C(O)COc1ccccc1","O=C(O)COc1ccccc1","O=C(O)COc1ccccc1","O=C(O)COc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1394,4031,"PHENYL GLYDIDYL ETHER","122-60-1",null,"c1ccc(cc1)OCC2OC2","c1ccc(cc1)OCC2OC2","c1ccc(cc1)OCC2OC2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1395,576,"HYDRAZOBENZENE","122-66-7","c1ccc(cc1)NNc2ccccc2","c1ccc(cc1)NNc2ccccc2","c1ccc(cc1)NNc2ccccc2","c1ccc(cc1)NNc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1396,3622,"P-AMINOACETANILIDE","122-80-5","CC(=O)Nc1ccc(cc1)N","CC(=O)Nc1ccc(cc1)N","CC(=O)Nc1ccc(cc1)N","CC(=O)Nc1ccc(cc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1397,3911,"P-CHLOROPHENOXYACETIC ACID","122-88-3","O=C(O)COc1ccc(cc1)Cl","O=C(O)COc1ccc(cc1)Cl","O=C(O)COc1ccc(cc1)Cl","O=C(O)COc1ccc(cc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1398,4102,"3-PHENYLPROPANOL","122-97-4","OCCCc1ccccc1","OCCCc1ccccc1","OCCCc1ccccc1","OCCCc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1399,3685,"2-ANILINOETHANOL","122-98-5","OCCNc1ccccc1","OCCNc1ccccc1","OCCNc1ccccc1","OCCNc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1400,3656,"2-PHENOXYETHANOL","122-99-6","OCCOc1ccccc1","OCCOc1ccccc1","OCCOc1ccccc1","OCCOc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1401,3787,"3-(CHLOROMETHYL)HEPTANE","123-04-6","CCCCC(CC)CCl","CCCCC(CC)CCl","CCCCC(CC)CCl","CCCCC(CC)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1402,3765,"2-ETHYLHEXANAL","123-05-7","CCCCC(C=O)CC","CCCCC(C=O)CC","CCCCC(C=O)CC","CCCCC(C=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1403,3637,"P-ETHYLPHENOL","123-07-9","CCc1ccc(cc1)O","CCc1ccc(cc1)O","CCc1ccc(cc1)O","CCc1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1404,3474,"4-HYDROXYBENZALDEHYDE","123-08-0","O=Cc1ccc(cc1)O","O=Cc1ccc(cc1)O","O=Cc1ccc(cc1)O","O=Cc1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1405,3952,"P-ANISALDEHYDE","123-11-5","COc1ccc(cc1)C=O","COc1ccc(cc1)C=O","COc1ccc(cc1)C=O","COc1ccc(cc1)C=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1406,2798,"2-METHYLPENTALDEHYDE","123-15-9","CCCC(C)C=O","CCCC(C)C=O","CCCC(C)C=O","CCCC(C)C=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1407,3258,"DI(N-PROPYL) KETONE","123-19-3","CCCC(=O)CCC","CCCC(=O)CCC","CCCC(=O)CCC","CCCC(=O)CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1408,3663,"succinylperoxide","123-23-9","O=C1OOC(CC1)=O","O=C(O)CCC(=O)OOC(=O)CCC(=O)O","O=C(O)CCC(=O)OOC(=O)CCC(=O)O","O=C(O)CCC(=O)OOC(=O)CCC(=O)O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[1409,3728,"DIETHYL SUCCINATE","123-25-1","CCOC(=O)CCC(=O)OCC","CCOC(=O)CCC(=O)OCC","CCOC(=O)CCC(=O)OCC","CCOC(=O)CCC(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1410,497,"ETHYL NONANOATE","123-29-5","CCCCCCCCC(=O)OCC","CCCCCCCCC(=O)OCC","CCCCCCCCC(=O)OCC","CCCCCCCCC(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1411,3111,"PHENOL, 4-AMINO-","123-30-8","Nc1ccc(cc1)O","Nc1ccc(cc1)O","Nc1ccc(cc1)O","Nc1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1412,3087,"HYDROQUINONE","123-31-9","Oc1ccc(cc1)O","Oc1ccc(cc1)O","Oc1ccc(cc1)O","Oc1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"990"]
[1413,2289,"maleichydrazide","123-33-1","NNC(=O)C=CC(=O)O","O=c1[nH][nH]c(cc1)=O","O=c1[nH][nH]c(cc1)=O","O=c1[nH][nH]c(cc1)=O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Name verified in PubChem",""]
[1414,152,"3-METHYLENE-7-METHYL-1,6-OCTADIENE  (MYRCENE)","123-35-3",null,"C=CC(=C)CCC=C(C)C","C=CC(=C)CCC=C(C)C","C=CC(=C)CCC=C(C)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1415,2136,"PROPIONALDEHYDE","123-38-6","CCC=O","CCC=O","CCC=O","CCC=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1036"]
[1416,1983,"METHYLFORMAMIDE","123-39-7","CNC=O","CNC=O","CNC=O","CNC=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1417,2820,"4-HYDROXY-4-METHYL-2-PENTANONE","123-42-2","CC(=O)CC(C)(C)O","CC(=O)CC(C)(C)O","CC(=O)CC(C)(C)O","CC(=O)CC(C)(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1418,2563,"ISOPENTANOL","123-51-3","CC(C)CCO","CC(C)CCO","CC(C)CCO","CC(C)CCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1419,2676,"2,4-PENTANEDIONE","123-54-6","CC(=O)CC(C)=O","CC(=O)CC(C)=O","CC(=O)CC(C)=O","CC(=O)CC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1420,2312,"SUCCINIMIDE","123-56-8","O=C1NC(CC1)=O","O=C1NC(CC1)=O","O=C1NC(CC1)=O","O=C1NC(CC1)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1421,2831,"PARALDEHYDE","123-63-7","CC1OC(OC(O1)C)C","CC1OC(OC(O1)C)C","CC1OC(OC(O1)C)C","CC1OC(OC(O1)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1422,3770,"ETHYL HEXANOATE","123-66-0","CCCCCC(=O)OCC","CCCCCC(=O)OCC","CCCCCC(=O)OCC","CCCCCC(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1423,2405,"BUTYRALDEHYDE","123-72-8","CCCC=O","CCCC=O","CCCC=O","CCCC=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"3459, 3702"]
[1424,2330,"TRANS-CROTONALDEHYDE","123-73-9","CC=CC=O","CC=CC=O","CC=CC=O","CC=CC=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","3466"]
[1425,2439,"PYRROLIDINE","123-75-1","C1CNCC1","C1CNCC1","C1CNCC1","C1CNCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[1426,1813,"DIOCTYL ADIPATE","123-79-5","CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC","CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC","CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC","CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1427,2583,"1-[(2-Aminoethyl)amino]-2-propanol","123-84-2","CC(O)CNCCN","CC(O)CNCCN",null,"CC(O)CNCCN",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1428,2813,"N-BUTYL ACETATE","123-86-4","CCCCOC(C)=O","CCCCOC(C)=O","CCCCOC(C)=O","CCCCOC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1429,null,"ARETAN","123-88-6","COCC[Hg+]","COCC[Hg+]",null,"COCC[Hg+]",3,0,1,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[1430,2416,"1,4-DIOXANE","123-91-1","C1OCCOC1","C1OCCOC1","C1OCCOC1","C1OCCOC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1431,3271,"ISOAMYL ACETATE","123-92-2","CC(=O)OCCC(C)C","CC(=O)OCCC(C)C","CC(=O)OCCC(C)C","CC(=O)OCCC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1432,2349,"Acetic acid, 2,2'-thiobis-","123-93-3","O=C(O)CSCC(=O)O","O=C(O)CSCC(=O)O","O=C(O)CSCC(=O)O","O=C(O)CSCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1433,3801,"2-OCTANOL","123-96-6","CCCCCCC(C)O","CCCCCCC(C)O","CCCCCCC(C)O","CCCCCCC(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"3463, 3710"]
[1434,4157,"NONANEDIOC ACID","123-99-9",null,"O=C(O)CCCCCCCC(=O)O","O=C(O)CCCCCCCC(=O)O","O=C(O)CCCCCCCC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1435,2752,"DIALLYLAMINE","124-02-7","C=CCNCC=C","C=CCNCC=C","C=CCNCC=C","C=CCNCC=C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1436,2739,"HEXANEDIOIC ACID","124-04-9","O=C(O)CCCCC(=O)O","O=C(O)CCCCC(=O)O","O=C(O)CCCCC(=O)O","O=C(O)CCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1437,3766,"OCTANOIC ACID","124-07-2","CCCCCCCC(=O)O","CCCCCCCC(=O)O","CCCCCCCC(=O)O","CCCCCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1438,2925,"HEXAMETHYLENE DIAMINE","124-09-4","NCCCCCCN","NCCCCCCN","NCCCCCCN","NCCCCCCN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1439,4719,"isononene","124-11-8","C=CCCCCC(C)C","C=CCCCCCCC","C=CCCCCCCC","C=CCCCCCCC",3,1,0,"NO","NO",4,0,"Maintain","High Reliability","Manual Check passed",""]
[1440,3762,"OCTANAL","124-13-0","CCCCCCCC=O","CCCCCCCC=O","CCCCCCCC=O","CCCCCCCC=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1441,230,"DIETHYLENE GLYCOL MONOBUTYL ETHER ACETATE","124-17-4","CCCCOCCOCCOC(C)=O","CCCCOCCOCCOC(C)=O","CCCCOCCOCCOC(C)=O","CCCCOCCOCCOC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1442,234,"N-DECANE","124-18-5","CCCCCCCCCC","CCCCCCCCCC","CCCCCCCCCC","CCCCCCCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1443,4174,"NONANAL","124-19-6","CCCCCCCCC=O","CCCCCCCCC=O","CCCCCCCCC=O","CCCCCCCCC=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1444,715,"N-DODECYLAMINE","124-22-1","CCCCCCCCCCCCN","CCCCCCCCCCCCN","CCCCCCCCCCCCN","CCCCCCCCCCCCN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1445,4385,"CARBON DIOXIDE","124-38-9","O=C=O","O=C=O","O=C=O","O=C=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1446,2008,"DIMETHYLAMINE","124-40-3","CNC","CNC","CNC","CNC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1447,4372,"DIBROMOCHLOROMETHANE","124-48-1","ClC(Br)Br","ClC(Br)Br","ClC(Br)Br","ClC(Br)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1448,null,"METHANE ARSONATE","124-58-3","O=[AsH](O)O","C[As](=O)(O)O",null,"C[As](=O)(O)O",2,1,1,"NO","NO",null,null,"Eliminate","-","Unusual elements, Inorganic"]
[1449,2268,"TETRAKIS(HYDROXYMETHYL)PHOSPHONIUM CHLORIDE","124-64-1","OC[P+](CO)(CO)CO","OC[P+](CO)(CO)CO","OC[P+](CO)(CO)CO","OC[P+](CO)(CO)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1450,2258,"2-AMINO-2-METHYL-1-PROPANOL","124-68-5","CC(C)(N)CO","CC(C)(N)CO","CC(C)(N)CO","CC(C)(N)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1451,2021,"2-Bromo-1,1,1,2-tetrafluoroethane","124-72-1","FC(Br)C(F)(F)F","FC(Br)C(F)(F)F","FC(Br)C(F)(F)F","FC(Br)C(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1452,1889,"1,2-DIBROMOTETRAFLUOROETHANE","124-73-2","FC(F)(Br)C(F)(F)Br","FC(F)(Br)C(F)(F)Br","FC(F)(Br)C(F)(F)Br","FC(F)(Br)C(F)(F)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1453,174,"CAMPHORIC ACID","124-83-4","CC1(C(C(CC1)C(=O)O)(C)C)C(=O)O","CC1(C(C(CC1)C(=O)O)(C)C)C(=O)O",null,"CC1(C(C(CC1)C(=O)O)(C)C)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","3597"]
[1454,1341,"PICROTOXIN","124-87-8","CC(C)(O)C1C2C(OC1C3OC(C45C(CC2(C43C)O)O5)=O)=O","CC(C)(O)C1C2C(OC1C3OC(C45C(CC2(C43C)O)O5)=O)=O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Organic counterion, Checked on ChemID, Checked on PubChem",""]
[1455,1747,"TRIAMCINOLONE","124-94-7","CC12C(=CC(C=C1)=O)CCC3C2(C(CC4(C3CC(O)C4(O)C(=O)CO)C)O)F","CC12C(=CC(C=C1)=O)CCC3C2(C(CC4(C3CC(O)C4(O)C(=O)CO)C)O)F","CC12C(=CC(C=C1)=O)CCC3C2(C(CC4(C3CC(O)C4(O)C(=O)CO)C)O)F","CC12C(=CC(C=C1)=O)CCC3C2(C(CC4(C3CC(O)C4(O)C(=O)CO)C)O)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1456,609,"PRIMIDONE","125-33-7","CCC1(C(NCNC1=O)=O)c2ccccc2","CCC1(C(NCNC1=O)=O)c2ccccc2","CCC1(C(NCNC1=O)=O)c2ccccc2","CCC1(C(NCNC1=O)=O)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1457,null,"GRISEOFULVIN","126-07-8","COc1c(c2c(c(c1)OC)C(C3(O2)C(CC(CC3C)=O)OC)=O)Cl","COc1c(c2c(c(c1)OC)C(C3(O2)C(CC(CC3C)=O)OC)=O)Cl","COC=1C2(C(CC(C1)=O)C)C(c3c(O2)c(Cl)c(OC)cc3OC)=O","COC=1C2(C(CC(C1)=O)C)C(c3c(O2)c(Cl)c(OC)cc3OC)=O",2,2,0,"YES","NO",null,null,"Eliminate","-","Stereochemistry removed, Missing/ambiguous"]
[1458,2465,"2-HYDROXYMETHYL-2-NITRO-1,3-PROPANEDIOL","126-11-4","O=[N+]([O-])C(CO)(CO)CO","O=[N+]([O-])C(CO)(CO)CO","O=[N+]([O-])C(CO)(CO)CO","O=[N+]([O-])C(CO)(CO)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1459,1884,"Sucrose octaacetate","126-14-7","CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O","CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O","CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O","CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1460,4117,"cyclohexanol,1-ethynyl-,carbamate","126-52-3","C#CC1(CCCCC1)O","C#CC1(CCCCC1)OC(N)=O","C#CC1(CCCCC1)OC(N)=O","C#CC1(CCCCC1)OC(N)=O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[1461,245,"Dipentaerythritol","126-58-9","OCC(CO)(CO)COCC(CO)(CO)CO","OCC(CO)(CO)COCC(CO)(CO)CO","OCC(CO)(CO)COCC(CO)(CO)CO","OCC(CO)(CO)COCC(CO)(CO)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1462,4130,"TRIS(2,3-DIBROMOPROPYL) PHOSPHATE","126-72-7","O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr","O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr","O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr","O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1463,722,"TRIBUTYLPHOSPHATE","126-73-8","CCCCOP(=O)(OCCCC)OCCCC","CCCCOP(=O)(OCCCC)OCCCC","CCCCOP(=O)(OCCCC)OCCCC","CCCCOP(=O)(OCCCC)OCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1464,3837,"Demeton-S","126-75-0","CCOP(=O)(OCC)SCCSCC","CCOP(=O)(OCC)SCCSCC","CCOP(=O)(OCC)SCCSCC","CCOP(=O)(OCC)SCCSCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"3888"]
[1465,3700,"5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE","126-81-8","CC1(CC(CC(C1)=O)=O)C","CC1(CC(CC(C1)=O)=O)C","CC1(CC(CC(C1)=O)=O)C","CC1(CC(CC(C1)=O)=O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1466,null,"Oxanamide","126-93-2","NC(=O)C1OCCCC1","CCCC1C(O1)(CC)C(N)=O",null,null,0,2,2,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[1467,2308,"METHACRYLONITRILE","126-98-7","C=C(C)C#N","C=C(C)C#N","C=C(C)C#N","C=C(C)C#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1468,4358,"HYDROXYUREA","127-07-1","NC(=O)NO","NC(=O)NO","NC(=O)NO","NC(=O)NO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1469,2080,"PYRUVIC ACID","127-17-3","CC(=O)C(=O)O","CC(=O)C(=O)O","CC(=O)C(=O)O","CC(=O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1470,1893,"TETRACHLOROETHENE","127-18-4","ClC(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)Cl","ClC(Cl)=C(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1471,2446,"N,N'-DIMETHYLACETAMIDE","127-19-5",null,"CC(=O)N(C)C","CC(=O)N(C)C","CC(=O)N(C)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1472,4593,"hydrocortisone-9a-fluoro","127-31-1",null,"CC12C(=CC(CC1)=O)CCC3C2(C(CC4(C3CCC4(O)C(=O)CO)C)O)F",null,"CC12C(=CC(CC1)=O)CCC3C2(C(CC4(C3CCC4(O)C(=O)CO)C)O)F",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[1473,1735,"Demeclocycline","127-33-3","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4Cl)O)C2","CN(C)C1C2C(C(C(C1=O)=C(N)O)=O)(O)C(=O)C=3C(C(c4c(C3O)c(O)ccc4Cl)O)C2","CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4Cl)O)C2","CN(C)C1C2C(C(C(=C1O)C(N)=O)=O)(O)C(O)=C3C(C(c4c(C3=O)c(O)ccc4Cl)O)C2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Differences in counterions",""]
[1474,1062,"ALPHA-IONONE","127-41-3","CC(=O)C=CC1C(CCC=C1C)(C)C","CC(=O)C=CC1C(CCC=C1C)(C)C","CC(=O)C=CC1C(CCC=C1C)(C)C","CC(=O)C=CC1C(CCC=C1C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","4047"]
[1475,3160,"Trimethadione","127-48-0","CN1C(C(OC1=O)(C)C)=O","CN1C(C(OC1=O)(C)C)=O","CN1C(C(OC1=O)(C)C)=O","CN1C(C(OC1=O)(C)C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1476,396,"SULFISOXAZOLE","127-69-5","Cc1c(c(on1)NS(=O)(=O)c2ccc(cc2)N)C","Cc1c(c(on1)NS(=O)(=O)c2ccc(cc2)N)C","Cc1c(c(on1)NS(=O)(=O)c2ccc(cc2)N)C","Cc1c(c(on1)NS(=O)(=O)c2ccc(cc2)N)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1477,1002,"Benzamide, N- (4-aminophenyl)sulfonyl -","127-71-9",null,"Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2","Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2","Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1478,null,"acetamide,n-[4-[[(4-methyl-2-pyrimidinyl)amino]","127-73-1",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(ccn2)C",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nc(ccn2)C",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[1479,4468,"acetamide,n-[4-[(2-pyrimidinylamino)sulfonyl]ph","127-74-2",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[1480,4430,"acetamide,n-[4-[(2-thiazolylamino)sulfonyl]phen","127-76-4",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2sccn2",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2sccn2",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[1481,381,"SULFAMERAZINE","127-79-7","Cc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N","Cc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N","Cc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N","Cc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1482,null,"Silver Lactate","128-00-7","[Ag+]","[Ag+]","[Ag+]","[Ag+]",4,0,0,"NO","NO",null,null,"Eliminate","-","Organic counterion, Unusual elements, Inorganic"]
[1483,2281,"2,5-Pyrrolidinedione, 1-bromo-","128-08-5","O=C1N(C(CC1)=O)Br","O=C1N(C(CC1)=O)Br","O=C1N(C(CC1)=O)Br","O=C1N(C(CC1)=O)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1484,2282,"1-CHLORO-2,5-PYRROLIDINEDIONE","128-09-6","O=C1N(C(CC1)=O)Cl","O=C1N(C(CC1)=O)Cl","O=C1N(C(CC1)=O)Cl","O=C1N(C(CC1)=O)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1485,1853,"URSODEOXYCHOLIC ACID","128-13-2","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1835"]
[1486,1372,"2,6-DI-T-BUTYL-4-METHYLPHENOL (BHT)","128-37-0",null,"Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C","Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C","Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1487,1219,"2,6-DI-T-BUTYLPHENOL","128-39-2","CC(C)(C)c1c(c(ccc1)C(C)(C)C)O","CC(C)(C)c1c(c(ccc1)C(C)(C)C)O","CC(C)(C)c1c(c(ccc1)C(C)(C)C)O","CC(C)(C)c1c(c(ccc1)C(C)(C)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1488,1787,"Noscapine","128-62-1","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","3692"]
[1489,1383,"PYRENE","129-00-0","c1cc2ccc3cccc4ccc(c1)c2c43","c1cc2ccc3cccc4ccc(c1)c2c43","c1cc2ccc3cccc4ccc(c1)c2c43","c1cc2ccc3cccc4ccc(c1)c2c43",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1490,1633,"OXYPHENBUTAZONE","129-20-4","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccc(cc3)O)=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccc(cc3)O)=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccc(cc3)O)=O","CCCCC1C(N(N(C1=O)c2ccccc2)c3ccc(cc3)O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1491,1246,"1-HYDROXYANTHRAQUINONE","129-43-1","O=C1c2c(C(c3c1cccc3)=O)c(O)ccc2","O=C1c2c(C(c3c1cccc3)=O)c(O)ccc2","O=C1c2c(C(c3c1cccc3)=O)c(O)ccc2","O=C1c2c(C(c3c1cccc3)=O)c(O)ccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1492,3349,"2,4,6-TRINITROBENZOIC ACID","129-66-8","O=C(O)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[1493,360,"4-IODOANTIPYRINE","129-81-7","Cc1n(n(c(c1I)=O)-c2ccccc2)C","Cc1n(n(c(c1I)=O)-c2ccccc2)C","Cc1n(n(c(c1I)=O)-c2ccccc2)C","Cc1n(n(c(c1I)=O)-c2ccccc2)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1494,4233,"8-quinolinol,5-chloro-","130-16-5",null,"Oc1c2c(c(cc1)Cl)cccn2",null,"Oc1c2c(c(cc1)Cl)cccn2",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[1495,1704,"QUININE","130-95-0","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",null,"C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","101, 2120, 3703"]
[1496,20,"DIMETHYL PHTHALATE","131-11-3","COC(=O)c1c(cccc1)C(=O)OC","COC(=O)c1c(cccc1)C(=O)OC","COC(=O)c1c(cccc1)C(=O)OC","COC(=O)c1c(cccc1)C(=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1497,1190,"DIPROPYL PHTHALATE","131-16-8","CCCOC(=O)c1c(cccc1)C(=O)OCCC","CCCOC(=O)c1c(cccc1)C(=O)OCCC","CCCOC(=O)c1c(cccc1)C(=O)OCCC","CCCOC(=O)c1c(cccc1)C(=O)OCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1498,1154,"DIALLYLPHTHALATE","131-17-9","C=CCOC(=O)c1c(cccc1)C(=O)OCC=C","C=CCOC(=O)c1c(cccc1)C(=O)OCC=C",null,"C=CCOC(=O)c1c(cccc1)C(=O)OCC=C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1499,1828,"NARCEINE","131-28-2","COc1c(c(c(cc1)C(=O)Cc2c(c3c(cc2CCN(C)C)OCO3)OC)C(=O)O)OC","COc1c(c(c(cc1)C(=O)Cc2c(c3c(cc2CCN(C)C)OCO3)OC)C(=O)O)OC","COc1c(c(c(cc1)C(=O)Cc2c(c3c(cc2CCN(C)C)OCO3)OC)C(=O)O)OC","COc1c(c(c(cc1)C(=O)Cc2c(c3c(cc2CCN(C)C)OCO3)OC)C(=O)O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1500,611,"2-CYCLOHEXYL-4,6-DINITROPHENOL","131-89-5","O=[N+]([O-])c1cc(c(c(c1)C2CCCCC2)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)C2CCCCC2)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)C2CCCCC2)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(c(c(c1)C2CCCCC2)O)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1501,298,"1-NITROSO-2-NAPHTHOL","131-91-9","O=Nc1c2c(ccc1O)cccc2","O=Nc1c2c(ccc1O)cccc2","O=Nc1c2c(ccc1O)cccc2","O=Nc1c2c(ccc1O)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"3266"]
[1502,1428,"CHLORPHENIRAMINE","132-22-9","CN(C)CCC(c1ccc(cc1)Cl)c2ncccc2","CN(C)CCC(c1ccc(cc1)Cl)c2ncccc2","CN(C)CCC(c1ccc(cc1)Cl)c2ncccc2","CN(C)CCC(c1ccc(cc1)Cl)c2ncccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Differences in counterions",""]
[1503,295,"2-NITROSO-1-NAPHTHOL","132-53-6","O=Nc1c(c2c(cc1)cccc2)O","O=Nc1c(c2c(cc1)cccc2)O","O=Nc1c(c2c(cc1)cccc2)O","O=Nc1c(c2c(cc1)cccc2)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1504,1384,"2-PHENYLCINCHONINIC ACID","132-60-5","O=C(O)c1c2c(nc(c1)-c3ccccc3)cccc2","O=C(O)c1c2c(nc(c1)-c3ccccc3)cccc2",null,"O=C(O)c1c2c(nc(c1)-c3ccccc3)cccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1505,930,"DIBENZOFURAN","132-64-9","c1cc2c(cc1)c3c(o2)cccc3","c1cc2c(cc1)c3c(o2)cccc3","c1cc2c(cc1)c3c(o2)cccc3","c1cc2c(cc1)c3c(o2)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1506,936,"DIBENZOTHIOPHENE","132-65-0","c1cc2c(cc1)c3c(s2)cccc3","c1cc2c(cc1)c3c(s2)cccc3","c1cc2c(cc1)c3c(s2)cccc3","c1cc2c(cc1)c3c(s2)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1507,4579,"npa(naptalam)","132-66-1",null,"O=C(O)c1c(cccc1)C(=O)Nc2c3c(ccc2)cccc3",null,"O=C(O)c1c(cccc1)C(=O)Nc2c3c(ccc2)cccc3",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[1508,312,"NAPHTHALENE-1,3-DIOL","132-86-5","Oc1cc2c(c(c1)O)cccc2","Oc1cc2c(c(c1)O)cccc2","Oc1cc2c(c(c1)O)cccc2","Oc1cc2c(c(c1)O)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1509,4268,"CAPTAN","133-06-2","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)Cl","O=C1N(C(C2C1CC=CC2)=O)SC(Cl)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1510,4222,"FOLPET","133-07-3","O=C1N(C(c2c1cccc2)=O)SC(Cl)(Cl)Cl","O=C1N(C(c2c1cccc2)=O)SC(Cl)(Cl)Cl","O=C1N(C(c2c1cccc2)=O)SC(Cl)(Cl)Cl","O=C1N(C(c2c1cccc2)=O)SC(Cl)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1511,991,"PHENYL-4-AMINOSALICYLATE","133-11-9","Nc1cc(c(cc1)C(=O)Oc2ccccc2)O","Nc1cc(c(cc1)C(=O)Oc2ccccc2)O",null,"Nc1cc(c(cc1)C(=O)Oc2ccccc2)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1512,599,"3-INDOLEBUTYRIC ACID","133-32-4","O=C(O)CCCc1c2c([nH]c1)cccc2","O=C(O)CCCc1c2c([nH]c1)cccc2","O=C(O)CCCc1c2c([nH]c1)cccc2","O=C(O)CCCc1c2c([nH]c1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1513,2353,"DL-TARTARIC ACID","133-37-9","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"597, 1609, 1610, 1713, 1993"]
[1514,2296,"2-Butenedioic acid, 2,3-dihydroxy-, (E)-","133-38-0","O=C(O)C(O)=C(O)C(=O)O","O=C(O)C(=O)C(O)=C(O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[1515,3929,"Phenol, 2,4-dichloro-3,5-dimethyl-","133-53-9","Cc1c(c(c(c(c1)O)Cl)C)Cl","Cc1c(c(c(c(c1)O)Cl)C)Cl","Cc1c(c(c(c(c1)O)Cl)C)Cl","Cc1c(c(c(c(c1)O)Cl)C)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1516,3933,"TRICHLORMETHIAZIDE","133-67-5","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)C(Cl)Cl)(=O)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)C(Cl)Cl)(=O)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)C(Cl)Cl)(=O)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)S(NC(N2)C(Cl)Cl)(=O)=O)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1517,3387,"3-AMINO-2,5-DICHLOROBENZOIC ACID","133-90-4","Nc1c(c(cc(c1)Cl)C(=O)O)Cl","Nc1c(c(cc(c1)Cl)C(=O)O)Cl","Nc1c(c(cc(c1)Cl)C(=O)O)Cl","Nc1c(c(cc(c1)Cl)C(=O)O)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1518,3372,"3,5-DIIODOSALICYLIC ACID","133-91-5","O=C(O)c1c(c(cc(c1)I)I)O","O=C(O)c1c(c(cc(c1)I)I)O","O=C(O)c1c(c(cc(c1)I)I)O","O=C(O)c1c(c(cc(c1)I)I)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1519,3992,"METHYL ANTHRANILATE","134-20-3","COC(=O)c1c(cccc1)N","COC(=O)c1c(cccc1)N","COC(=O)c1c(cccc1)N","COC(=O)c1c(cccc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1520,331,"1-NAPHTHYLAMINE","134-32-7","Nc1c2c(ccc1)cccc2","Nc1c2c(ccc1)cccc2","Nc1c2c(ccc1)cccc2","Nc1c2c(ccc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1521,1291,"BENZOIC ACID, 2-(ACETYLOXY)-, PHENYL ESTER","134-55-4","CC(=O)Oc1c(cccc1)C(=O)Oc2ccccc2","CC(=O)Oc1c(cccc1)C(=O)Oc2ccccc2",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[1522,111,"O-DIETHYLBENZENE","135-01-3","CCc1c(cccc1)CC","CCc1c(cccc1)CC","CCc1c(cccc1)CC","CCc1c(cccc1)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"4396"]
[1523,3936,"HYDROFLUMETHIAZIDE","135-09-1","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)C(F)(F)F","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)C(F)(F)F","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)C(F)(F)F","NS(=O)(=O)c1c(cc2c(c1)S(NCN2)(=O)=O)C(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1524,309,"2-NAPHTHOL","135-19-3","Oc1cc2c(cc1)cccc2","Oc1cc2c(cc1)cccc2","Oc1cc2c(cc1)cccc2","Oc1cc2c(cc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1525,535,"4-Amino-4'-chlorodiphenyl","135-68-2","Nc1ccc(cc1)-c2ccc(cc2)Cl","Nc1ccc(cc1)-c2ccc(cc2)Cl",null,"Nc1ccc(cc1)-c2ccc(cc2)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1526,108,"SEC-BUTYLBENZENE","135-98-8","CCC(C)c1ccccc1","CCC(C)c1ccccc1","CCC(C)c1ccccc1","CCC(C)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1527,559,"1,3-DIPHENYL-1-TRIAZENE","136-35-6","c1ccc(cc1)N=NNc2ccccc2","c1ccc(cc1)N=NNc2ccccc2","c1ccc(cc1)N=NNc2ccccc2","c1ccc(cc1)N=NNc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1528,418,"BUTYL BENZOATE","136-60-7","CCCCOC(=O)c1ccccc1","CCCCOC(=O)c1ccccc1","CCCCOC(=O)c1ccccc1","CCCCOC(=O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1529,676,"4-HEXYLRESORCINOL","136-77-6","CCCCCCc1c(cc(cc1)O)O","CCCCCCc1c(cc(cc1)O)O","CCCCCCc1c(cc(cc1)O)O","CCCCCCc1c(cc(cc1)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1530,3626,"Benzenamine, 2-ethoxy-5-nitro-","136-79-8","CCOc1c(cc(cc1)[N+](=O)[O-])N","CCOc1c(cc(cc1)[N+](=O)[O-])N",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[1531,4111,"2,4,5-Trimethylaniline","137-17-7","Cc1c(cc(c(c1)C)N)C","Cc1c(cc(c(c1)C)N)C","Cc1c(cc(c(c1)C)N)C","Cc1c(cc(c(c1)C)N)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1532,2556,"2-METHYL-1-BUTANOL","137-32-6","CCC(C)CO","CCC(C)CO","CCC(C)CO","CCC(C)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1533,2141,"Sodium Propionate","137-40-6","CCC(=O)O","CCC(=O)O","CCC(=O)O","CCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"465, 2165"]
[1534,4600,"methyldithiocarbamicacid,nasalt","137-42-8",null,"CNC(=S)S",null,"CNC(=S)S",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[1535,1216,"LIDOCAINE","137-58-6","CCN(CC)CC(=O)Nc1c(cccc1C)C","CCN(CC)CC(=O)Nc1c(cccc1C)C","CCN(CC)CC(=O)Nc1c(cccc1C)C","CCN(CC)CC(=O)Nc1c(cccc1C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1536,2701,"GLUTAMIC ACID HYDROCHLORIDE","138-15-8","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Differences in counterions","111, 1582, 2458, 3790, 3792"]
[1537,3276,"BUTYL LACTATE","138-22-7","CCCCOC(=O)C(C)O","CCCCOC(=O)C(C)O","CCCCOC(=O)C(C)O","CCCCOC(=O)C(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1538,3134,"Benzenesulfonic acid, 3-hydrazino-","138-30-7","NNc1cc(ccc1)S(=O)(=O)O","NNc1cc(ccc1)S(=O)(=O)O","NNc1cc(ccc1)S(=O)(=O)O","NNc1cc(ccc1)S(=O)(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1539,3173,"Benzenesulfonamide, 4-(aminomethyl)-","138-39-6","NCc1ccc(cc1)S(N)(=O)=O","NCc1ccc(cc1)S(N)(=O)=O","NCc1ccc(cc1)S(N)(=O)=O","NCc1ccc(cc1)S(N)(=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1540,1049,"SALICIN","138-52-3","OCc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O","OCc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O","OCc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O","OCc1c(cccc1)OC2C(C(C(C(O2)CO)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1541,3185,"SHIKIMIC ACID","138-59-0","O=C(O)C=1CC(C(C(C1)O)O)O","O=C(O)C=1CC(C(C(C1)O)O)O","O=C(O)C=1CC(C(C(C1)O)O)O","O=C(O)C=1CC(C(C(C1)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1542,155,"LIMONENE","138-86-3","C=C(C)C1CCC(=CC1)C","C=C(C)C1CCC(=CC1)C","C=C(C)C1CCC(=CC1)C","C=C(C)C1CCC(=CC1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"858, 2258, 3688"]
[1543,188,"beta-terpineol","138-87-4","COc1c(c(cc(c1)C=CCO)OC)OC2C(C(C(C(O2)CO)O)O)O","C=C(C)C1CCC(CC1)(C)O","C=C(C)C1CCC(CC1)(C)O","C=C(C)C1CCC(CC1)(C)O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Name verified in PubChem",""]
[1544,3162,"NITRILOTRIACETIC ACID","139-13-9","O=C(O)CN(CC(=O)O)CC(=O)O","O=C(O)CN(CC(=O)O)CC(=O)O","O=C(O)CN(CC(=O)O)CC(=O)O","O=C(O)CN(CC(=O)O)CC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1545,4142,"PROPAZINE","139-40-2","CC(C)Nc1nc(nc(n1)Cl)NC(C)C","CC(C)Nc1nc(nc(n1)Cl)NC(C)C","CC(C)Nc1nc(nc(n1)Cl)NC(C)C","CC(C)Nc1nc(nc(n1)Cl)NC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1546,684,"TRIPROPIONIN","139-45-7","CCC(=O)OCC(COC(=O)CC)OC(=O)CC","CCC(=O)OCC(COC(=O)CC)OC(=O)CC","CCC(=O)OCC(COC(=O)CC)OC(=O)CC","CCC(=O)OCC(COC(=O)CC)OC(=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1547,3478,"3,4-Dihydroxybenzaldehyde","139-85-5","O=Cc1cc(c(cc1)O)O","O=Cc1cc(c(cc1)O)O","O=Cc1cc(c(cc1)O)O","O=Cc1cc(c(cc1)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1548,3611,"2-Thiophenepropanoic acid, .alpha.-amino-","139-86-6","NC(Cc1sccc1)C(=O)O","NC(Cc1sccc1)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[1549,2917,"Ethanol, 2,2'-(ethylimino)bis-","139-87-7","CCN(CCO)CCO","CCN(CCO)CCO","CCN(CCO)CCO","CCN(CCO)CCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1550,1029,"Furaltadone","139-91-3","O=C1N(CC(O1)CN2CCOCC2)N=Cc3oc(cc3)[N+](=O)[O-]","O=C1N(CC(O1)CN2CCOCC2)N=Cc3oc(cc3)[N+](=O)[O-]","O=C1N(CC(O1)CN2CCOCC2)N=Cc3oc(cc3)[N+](=O)[O-]","O=C1N(CC(O1)CN2CCOCC2)N=Cc3oc(cc3)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1551,3138,"NITHIAZIDE","139-94-6","CCNC(=O)Nc1sc(cn1)[N+](=O)[O-]","CCNC(=O)Nc1sc(cn1)[N+](=O)[O-]","CCNC(=O)Nc1sc(cn1)[N+](=O)[O-]","CCNC(=O)Nc1sc(cn1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1552,4282,"2-PROPENOIC ACID, 3-PHENYL-, (E)-","140-10-3","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","2483"]
[1553,4034,"BENZYL ACETATE","140-11-4","CC(=O)OCc1ccccc1","CC(=O)OCc1ccccc1","CC(=O)OCc1ccccc1","CC(=O)OCc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1554,1432,"1,2-Ethanediamine, N,N'-bis(phenylmethyl)-","140-28-3","c1ccc(cc1)CNCCNCc2ccccc2","c1ccc(cc1)CNCCNCc2ccccc2","c1ccc(cc1)CNCCNCc2ccccc2","c1ccc(cc1)CNCCNCc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1555,3916,"PHENYLACETONITRILE","140-29-4","N#CCc1ccccc1","N#CCc1ccccc1","N#CCc1ccccc1","N#CCc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1556,3682,"FENAMINOSULF","140-56-7","CN(C)c1ccc(cc1)N=NS(=O)(=O)O","CN(C)c1ccc(cc1)N=NS(=O)(=O)O","CN(C)c1ccc(cc1)N=NS(=O)(=O)O","CN(C)c1ccc(cc1)N=NS(=O)(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1557,69,"Benzene, 1-methoxy-4-(2-propenyl)-","140-67-0","C=CCc1ccc(cc1)OC","C=CCc1ccc(cc1)OC","C=CCc1ccc(cc1)OC","C=CCc1ccc(cc1)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"953"]
[1558,3721,"CYCLOPENTYLPROPRIONIC ACID","140-77-2","O=C(O)CCC1CCCC1","O=C(O)CCC1CCCC1",null,"O=C(O)CCC1CCCC1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1559,2673,"ETHYL ACRYLATE","140-88-5","C=CC(=O)OCC","C=CC(=O)OCC","C=CC(=O)OCC","C=CC(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1560,1723,"2-ethylhexylfumarate","141-02-6","CCCCC(CC)COC(=O)C=CC(=O)O","CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC","CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Name verified in PubChem",""]
[1561,698,"Butanedioic acid, dibutyl ester","141-03-7","CCCCOC(=O)CCC(=O)OCCCC","CCCCOC(=O)CCC(=O)OCCCC","CCCCOC(=O)CCC(=O)OCCCC","CCCCOC(=O)CCC(=O)OCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1562,3701,"DIETHYL MALEATE","141-05-9","CCOC(=O)C=CC(=O)OCC","CCOC(=O)C=CC(=O)OCC","CCOC(=O)C=CC(=O)OCC","CCOC(=O)C=CC(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1563,197,"DIETHYLHEXANEDIOATE","141-28-6","CCOC(=O)CCCCC(=O)OCC","CCOC(=O)CCCCC(=O)OCC","CCOC(=O)CCCCC(=O)OCC","CCOC(=O)CCCCC(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1564,3206,"BUTYL ACRYLATE","141-32-2","C=CC(=O)OCCCC","C=CC(=O)OCCCC","C=CC(=O)OCCCC","C=CC(=O)OCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1565,2010,"ETHANOLAMINE","141-43-5","NCCO","NCCO","NCCO","NCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1566,4343,"Sodium Formate","141-53-7","O=CO","O=CO","O=CO","O=CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"226, 2288"]
[1567,null,"DECAMETHYLTETRASILOXANE","141-62-8","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C",4,0,0,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[1568,3761,"DICROTOPHOS","141-66-2","COP(=O)(OC)OC(C)=CC(=O)N(C)C","COP(=O)(OC)OC(C)=CC(=O)N(C)C","COP(=O)(OC)OC(C)=CC(=O)N(C)C","COP(=O)(OC)OC(C)=CC(=O)N(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1569,2098,"3-IODOPROPIONIC ACID","141-76-4","O=C(O)CCI","O=C(O)CCI",null,"O=C(O)CCI",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1570,2420,"ETHYL ACETATE","141-78-6","CCOC(C)=O","CCOC(C)=O","CCOC(C)=O","CCOC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1571,2719,"MESITYL OXIDE","141-79-7","CC(=O)C=C(C)C","CC(=O)C=C(C)C","CC(=O)C=C(C)C","CC(=O)C=C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1572,2082,"MALONIC ACID","141-82-2","O=C(O)CC(=O)O","O=C(O)CC(=O)O","O=C(O)CC(=O)O","O=C(O)CC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1573,2059,"4-Thiazolidinone, 2-thioxo-","141-84-4","O=C1NC(SC1)=S","O=C1NC(SC1)=S","O=C1NC(SC1)=S","O=C1NC(SC1)=S",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1574,2293,"2-THIOURACIL","141-90-2","O=c1[nH]c([nH]cc1)=S","O=c1[nH]c([nH]cc1)=S","O=c1[nH]c([nH]cc1)=S","O=c1[nH]c([nH]cc1)=S",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1575,110,"M-DIETHYLBENZENE","141-93-5","CCc1cc(ccc1)CC","CCc1cc(ccc1)CC","CCc1cc(ccc1)CC","CCc1cc(ccc1)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1576,2729,"ACETOACETIC ESTER","141-97-9","CCOC(=O)CC(C)=O","CCOC(=O)CC(C)=O","CCOC(=O)CC(C)=O","CCOC(=O)CC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1577,2622,"2-HYDROXYPYRIDINE","142-08-5","Oc1ncccc1","O=c1[nH]cccc1","O=c1[nH]cccc1","O=c1[nH]cccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1578,2453,"Acetamide, N-(2-hydroxyethyl)-","142-26-7","CC(=O)NCCO","CC(=O)NCCO","CC(=O)NCCO","CC(=O)NCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1579,2118,"1,3-DICHLOROPROPANE","142-28-9","ClCCCCl","ClCCCCl","ClCCCCl","ClCCCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1580,2655,"CYCLOPENTENE","142-29-0","C=1CCCC1","C=1CCCC1","C=1CCCC1","C=1CCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1581,1996,"1,2-hydrazinecarbothioamide","142-46-1",null,"NC(=S)NNC(N)=S",null,"NC(=S)NNC(N)=S",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[1582,2701,"MONOSODIUM L-GLUTAMATE","142-47-2","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","111, 1536, 2458, 3790, 3792"]
[1583,2404,"NABAM","142-59-6","S=C(S)NCCNC(=S)S","S=C(S)NCCNC(=S)S","S=C(S)NCCNC(=S)S","S=C(S)NCCNC(=S)S",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1584,2809,"HEXANOIC ACID","142-62-1","CCCCCC(=O)O","CCCCCC(=O)O","CCCCCC(=O)O","CCCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1585,2219,"Piperazine hydrochloride","142-64-3","C1NCCNC1","C1NCCNC1",null,"C1NCCNC1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Differences in counterions","1194"]
[1586,2482,"TETRAHYDROPYRAN","142-68-7","C1CCOCC1","C1CCOCC1","C1CCOCC1","C1CCOCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1587,2375,"Glycine, N-(carboxymethyl)-","142-73-4","O=C(O)CNCC(=O)O","O=C(O)CNCC(=O)O","O=C(O)CNCC(=O)O","O=C(O)CNCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1588,3297,"N-HEPTANE","142-82-5","CCCCCCC","CCCCCCC","CCCCCCC","CCCCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1589,2909,"DIPROPYLAMINE","142-84-7","CCCNCCC","CCCNCCC","CCCNCCC","CCCNCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1590,3767,"N-HEXYL ACETATE","142-92-7","CCCCCCOC(C)=O","CCCCCCOC(C)=O","CCCCCCOC(C)=O","CCCCCCOC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1591,3803,"DI-N-BUTYL ETHER","142-96-1","CCCCOCCCC","CCCCOCCCC","CCCCOCCCC","CCCCOCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1592,709,"DODECANOIC ACID","143-07-7","CCCCCCCCCCCC(=O)O","CCCCCCCCCCCC(=O)O","CCCCCCCCCCCC(=O)O","CCCCCCCCCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1593,4197,"1-NONANOL","143-08-8","CCCCCCCCCO","CCCCCCCCCO","CCCCCCCCCO","CCCCCCCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1594,716,"1-Hexanamine, N-hexyl-","143-16-8","CCCCCCNCCCCCC","CCCCCCNCCCCCC","CCCCCCNCCCCCC","CCCCCCNCCCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1595,243,"TRIETHYLENE GLYCOL BUTYL ETHER","143-22-6","CCCCOCCOCCOCCO","CCCCOCCOCCOCCO","CCCCOCCOCCOCCO","CCCCOCCOCCOCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1596,2,"KEPONE","143-50-0","O=C1C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl","O=C1C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl","O=C1C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl","O=C1C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1597,159,"Butabarbital Sodium","143-81-7","CCC(C)C1(C(NC(NC1=O)=O)=O)CC","CCC(C)C1(C(NC(NC1=O)=O)=O)CC","CCC(C)C1(C(=NC(N=C1O)=O)O)CC","CCC(C)C1(C(=NC(N=C1O)=O)O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1598,3579,"1,3-Dioxolane-4,4-diacetic acid, 5-oxo-","144-16-1","O=C(O)CC1(C(OCO1)=O)CC(=O)O","O=C(O)CC1(C(OCO1)=O)CC(=O)O","O=C(O)CC1(C(OCO1)=O)CC(=O)O","O=C(O)CC1(C(OCO1)=O)CC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1599,3819,"2,2,4-TRIMETHYL-1,3-PENTANEDIOL","144-19-4","CC(C)C(O)C(C)(C)CO","CC(C)C(O)C(C)(C)CO","CC(C)C(O)C(C)(C)CO","CC(C)C(O)C(C)(C)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1600,null,"DSMA","144-21-8","C[As](=O)(O)O","C[As](=O)(O)O","C[As](=O)(O)O","C[As](=O)(O)O",4,0,0,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[1601,1941,"FLUOROACETIC ACID","144-49-0","O=C(O)CF","O=C(O)CF",null,"O=C(O)CF",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"214"]
[1602,1923,"OXALIC ACID","144-62-7","O=C(O)C(=O)O","O=C(O)C(=O)O","O=C(O)C(=O)O","O=C(O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2237"]
[1603,3629,"SULFANILACETAMIDE","144-80-9","CC(=O)NS(=O)(=O)c1ccc(cc1)N","CC(=O)NS(=O)(=O)c1ccc(cc1)N","CC(=O)NS(=O)(=O)c1ccc(cc1)N","CC(=O)NS(=O)(=O)c1ccc(cc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1604,4022,"SULFAMETHIAZOLE","144-82-1","Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1605,365,"SULFAPYRIDINE","144-83-2","Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2","Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2","Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2","Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1606,2457,"DL-Allothreonine","144-98-9","CC(O)C(N)C(=O)O","CC(O)C(N)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem","499, 292"]
[1607,1760,"PREGNENOLONE","145-13-1","CC(=O)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C","CC(=O)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C","CC(=O)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C","CC(=O)C1C2(C(CC1)C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1608,3662,"ENDOTHAL","145-73-3","O=C(O)C1C(C2CCC1O2)C(=O)O","O=C(O)C1C(C2CCC1O2)C(=O)O","O=C(O)C1C(C2CCC1O2)C(=O)O","O=C(O)C1C(C2CCC1O2)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[1609,2353,"D-TARTARIC ACID","147-71-7","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","597, 1513, 1610, 1713, 1993"]
[1610,2353,"meso-TARTARIC ACID","147-73-9","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",null,"O=C(O)C(O)C(O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","597, 1513, 1609, 1713, 1993"]
[1611,null,"ARABINOSE","147-81-9","O=CC(O)C(O)C(O)CO","OC1C(C(C(OC1)O)O)O","O=CC(O)C(O)C(O)CO","O=CC(O)C(O)C(O)CO",3,1,0,"NO","YES",null,null,"Eliminate","-","Stereochemistry removed, Missing/ambiguous"]
[1612,2695,"PROLINE","147-85-3","O=C(O)C1NCCC1","O=C(O)C1NCCC1","O=C(O)C1NCCC1","O=C(O)C1NCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1613,3917,"BENZAMIDE, 2-METHYL-3,5-DINITRO-","148-01-6","Cc1c(cc(cc1C(N)=O)[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1C(N)=O)[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1C(N)=O)[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1C(N)=O)[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1614,4255,"8-QUINOLINOL","148-24-3","Oc1c2c(ccc1)cccn2","Oc1c2c(ccc1)cccn2","Oc1c2c(ccc1)cccn2","Oc1c2c(ccc1)cccn2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1615,3880,"FLUMETHAZIDE","148-56-1","NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)C(F)(F)F","NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)C(F)(F)F",null,"NS(=O)(=O)c1c(cc2c(c1)S(N=CN2)(=O)=O)C(F)(F)F",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1616,1183,"CHLOROTHEN","148-65-2","CN(C)CCN(Cc1sc(cc1)Cl)c2ncccc2","CN(C)CCN(Cc1sc(cc1)Cl)c2ncccc2","CN(C)CCN(Cc1sc(cc1)Cl)c2ncccc2","CN(C)CCN(Cc1sc(cc1)Cl)c2ncccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[1617,290,"THIABENDAZOLE","148-79-8","c1cc2c(cc1)[nH]c(-c3ncsc3)n2","c1cc2c(cc1)[nH]c(-c3ncsc3)n2","c1cc2c(cc1)[nH]c(-c3ncsc3)n2","c1cc2c(cc1)[nH]c(-c3ncsc3)n2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1618,3932,"2,4-DES","149-26-8",null,"O=S(=O)(O)OCCOc1c(cc(cc1)Cl)Cl","O=S(=O)(O)OCCOc1c(cc(cc1)Cl)Cl","O=S(=O)(O)OCCOc1c(cc(cc1)Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1619,3433,"2-MERCAPTOBENZOTHIAZOLE","149-30-4","Sc1sc2c(n1)cccc2","S=c1sc2c([nH]1)cccc2","Sc1sc2c(n1)cccc2","Sc1sc2c(n1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1620,2243,"ERYTHRITOL","149-32-6","OCC(O)C(O)CO","OCC(O)C(O)CO","OCC(O)C(O)CO","OCC(O)C(O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1621,3768,"HEXANOIC ACID, 2-ETHYL-","149-57-5","CCCCC(CC)C(=O)O","CCCCC(CC)C(=O)O","CCCCC(CC)C(=O)O","CCCCC(CC)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1622,3488,"3,4,5-TRIHYDROXYBENZOIC ACID","149-91-7","O=C(O)c1cc(c(c(c1)O)O)O","O=C(O)c1cc(c(c(c1)O)O)O","O=C(O)c1cc(c(c(c1)O)O)O","O=C(O)c1cc(c(c(c1)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1623,3530,"4-AMINOBENZOIC ACID","150-13-0","Nc1ccc(cc1)C(=O)O","Nc1ccc(cc1)C(=O)O","Nc1ccc(cc1)C(=O)O","Nc1ccc(cc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1624,3568,"M-METHOXYPHENOL","150-19-6","COc1cc(ccc1)O","COc1cc(ccc1)O","COc1cc(ccc1)O","COc1cc(ccc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1625,4070,"DL-PHENYLALANINE","150-30-1","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"222, 2624"]
[1626,4057,"MONURON","150-68-5","CN(C)C(=O)Nc1ccc(cc1)Cl","CN(C)C(=O)Nc1ccc(cc1)Cl","CN(C)C(=O)Nc1ccc(cc1)Cl","CN(C)C(=O)Nc1ccc(cc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1627,4092,"Dulcin","150-69-6","CCOc1ccc(cc1)NC(N)=O","CCOc1ccc(cc1)NC(N)=O","CCOc1ccc(cc1)NC(N)=O","CCOc1ccc(cc1)NC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1628,3569,"P-METHOXYPHENOL","150-76-5","COc1ccc(cc1)O","COc1ccc(cc1)O","COc1ccc(cc1)O","COc1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1629,2347,"Sodium Succinate","150-90-3","O=C(O)CCC(=O)O","O=C(O)CCC(=O)O","O=C(O)CCC(=O)O","O=C(O)CCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1163"]
[1630,null,"POTASSIUM CYANIDE","151-50-8","[K+]","[K+]","[K+]","[K+]",4,0,0,"NO","NO",null,null,"Eliminate","-","Organic counterion, Unusual elements, Inorganic"]
[1631,1977,"AZIRIDINE","151-56-4","C1NC1","C1NC1","C1NC1","C1NC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1632,2020,"HALOTHANE","151-67-7","FC(F)(F)C(Cl)Br","FC(F)(F)C(Cl)Br","FC(F)(F)C(Cl)Br","FC(F)(F)C(Cl)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1633,3848,"OCTAMETHYLPYROPHOSPHORAMIDE","152-16-9","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C","CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1634,162,"Vicine","152-93-2","Nc1[nH]c(c(c(n1)=O)OC2C(C(C(C(O2)CO)O)O)O)N","Nc1[nH]c(c(c(n1)=O)OC2C(C(C(C(O2)CO)O)O)O)N","N=c1[nH]c(c(c(n1)O)OC2C(C(C(C(O2)CO)O)O)O)N","N=c1[nH]c(c(c(n1)O)OC2C(C(C(C(O2)CO)O)O)O)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1635,1803,"Fluocortolone","152-97-6","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)C(O)C2)C)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)C(O)C2)C)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)C(O)C2)C)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)C(O)C2)C)C(=O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1636,4628,"1,3-bis(2-chloroet)-1-nitrosourea","154-93-8",null,"O=NN(CCCl)C(=O)NCCCl",null,"O=NN(CCCl)C(=O)NCCCl",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[1637,3969,"P-HYDROXYPHENYLACETIC ACID","156-38-7","O=C(O)Cc1ccc(cc1)O","O=C(O)Cc1ccc(cc1)O","O=C(O)Cc1ccc(cc1)O","O=C(O)Cc1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1638,1907,"1,2-DICHLOROETHENE (CIS)","156-59-2",null,"ClC=CCl","ClC=CCl","ClC=CCl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","1639, 2070"]
[1639,1907,"1,2-DICHLOROETHENE (TRANS)","156-60-5",null,"ClC=CCl","ClC=CCl","ClC=CCl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","1638, 2070"]
[1640,3207,"1,6-Dioxaspiro[4,4]nonane","176-25-0","C1CC2(OC1)OCCC2","C1CC2(OC1)OCCC2",null,"C1CC2(OC1)OCCC2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1641,1838,"CORONENE","191-07-1","c1c2ccc3ccc4ccc5ccc6ccc(c1)c7c2c3c4c5c67","c1c2ccc3ccc4ccc5ccc6ccc(c1)c7c2c3c4c5c67","c1c2ccc3ccc4ccc5ccc6ccc(c1)c7c2c3c4c5c67","c1c2ccc3ccc4ccc5ccc6ccc(c1)c7c2c3c4c5c67",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1642,1763,"BENZO(GHI)PERYLENE","191-24-2","c1cc2c3cccc4ccc5ccc6ccc(c1)c2c6c5c43","c1cc2c3cccc4ccc5ccc6ccc(c1)c2c6c5c43","c1cc2c3cccc4ccc5ccc6ccc(c1)c2c6c5c43","c1cc2c3cccc4ccc5ccc6ccc(c1)c2c6c5c43",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1643,1674,"BENZO(E)PYRENE","192-97-2","c1cc2c(cc1)c3cccc4ccc5cccc2c5c43","c1cc2c(cc1)c3cccc4ccc5cccc2c5c43","c1cc2c(cc1)c3cccc4ccc5cccc2c5c43","c1cc2c(cc1)c3cccc4ccc5cccc2c5c43",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1644,1762,"INDENO(1,2,3-CD)PYRENE","193-39-5","c1cc-2c(cc1)-c3cc4cccc5ccc6ccc2c3c6c54","c1cc-2c(cc1)-c3cc4cccc5ccc6ccc2c3c6c54","c1cc-2c(cc1)-c3cc4cccc5ccc6ccc2c3c6c54","c1cc-2c(cc1)-c3cc4cccc5ccc6ccc2c3c6c54",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1645,1678,"7H-DIBENZO(C,G)CARBAZOLE","194-59-2","c1cc2c(cc1)c3c(cc2)[nH]c4c3c5c(cc4)cccc5","c1cc2c(cc1)c3c(cc2)[nH]c4c3c5c(cc4)cccc5","c1cc2c(cc1)c3c(cc2)[nH]c4c3c5c(cc4)cccc5","c1cc2c(cc1)c3c(cc2)[nH]c4c3c5c(cc4)cccc5",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1646,1538,"BENZO(C)PHENANTHRENE","195-19-7","c1cc2c(cc1)c3c(cc2)ccc4c3cccc4","c1cc2c(cc1)c3c(cc2)ccc4c3cccc4","c1cc2c(cc1)c3c(cc2)ccc4c3cccc4","c1cc2c(cc1)c3c(cc2)ccc4c3cccc4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1647,1675,"PERYLENE","198-55-0","c1cc2c3cccc4cccc(c5cccc(c1)c52)c43","c1cc2c3cccc4cccc(c5cccc(c1)c52)c43","c1cc2c3cccc4cccc(c5cccc(c1)c52)c43","c1cc2c3cccc4cccc(c5cccc(c1)c52)c43",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1648,4598,"benz(a,j)aceanthrylene","203-20-3",null,"c1cc-2c(cc1)-c3c4c(cc5cccc2c53)c6c(cc4)cccc6",null,"c1cc-2c(cc1)-c3c4c(cc5cccc2c53)c6c(cc4)cccc6",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[1649,1263,"4,5-METHYLENEPHENANTHRENE","203-64-5","c1cc2c3c(c1)Cc4cccc(cc2)c34","c1cc2c3c(c1)Cc4cccc(cc2)c34","c1cc2c3c(c1)Cc4cccc(cc2)c34","c1cc2c3c(c1)Cc4cccc(cc2)c34",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1650,1673,"BENZO(J)FLUORANTHENE","205-82-3","c1cc2c(cc1)c3-c4cccc5cccc(-c3cc2)c54","c1cc2c(cc1)c3-c4cccc5cccc(-c3cc2)c54","c1cc2c(cc1)c3-c4cccc5cccc(-c3cc2)c54","c1cc2c(cc1)c3-c4cccc5cccc(-c3cc2)c54",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1651,1671,"BENZO(B)FLUORANTHENE","205-99-2","c1cc-2c(cc1)-c3c4c2cccc4c5c(c3)cccc5","c1cc-2c(cc1)-c3c4c2cccc4c5c(c3)cccc5","c1cc-2c(cc1)-c3c4c2cccc4c5c(c3)cccc5","c1cc-2c(cc1)-c3c4c2cccc4c5c(c3)cccc5",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1652,1382,"FLUORANTHENE","206-44-0","c1cc-2c(cc1)-c3cccc4cccc2c43","c1cc-2c(cc1)-c3cccc4cccc2c43","c1cc-2c(cc1)-c3cccc4cccc2c43","c1cc-2c(cc1)-c3cccc4cccc2c43",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1653,1670,"BENZO(K)FLUORANTHENE","207-08-9","c1cc2c(cc1)cc3-c4cccc5cccc(-c3c2)c54","c1cc2c(cc1)cc3-c4cccc5cccc(-c3c2)c54","c1cc2c(cc1)cc3-c4cccc5cccc(-c3c2)c54","c1cc2c(cc1)cc3-c4cccc5cccc(-c3c2)c54",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1654,900,"ACENAPHTHYLENE","208-96-8","C=1c2cccc3cccc(C1)c32","C=1c2cccc3cccc(C1)c32","C=1c2cccc3cccc(C1)c32","C=1c2cccc3cccc(C1)c32",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1655,1765,"PICENE","213-46-7","c1cc2c(cc1)c3c(cc2)c4c(cc3)c5c(cccc5)cc4","c1cc2c(cc1)c3c(cc2)c4c(cc3)c5c(cccc5)cc4","c1cc2c(cc1)c3c(cc2)c4c(cc3)c5c(cccc5)cc4","c1cc2c(cc1)c3c(cc2)c4c(cc3)c5c(cccc5)cc4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1656,1764,"1,2,3,4-DIBENZANTHRACENE","215-58-7","c1cc2c(cc1)cc3c(c4c(c5c3cccc5)cccc4)c2","c1cc2c(cc1)cc3c(c4c(c5c3cccc5)cccc4)c2","c1cc2c(cc1)cc3c(c4c(c5c3cccc5)cccc4)c2","c1cc2c(cc1)cc3c(c4c(c5c3cccc5)cccc4)c2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1657,1536,"TRIPHENYLENE","217-59-4","c1cc2c(cc1)c3c(c4c2cccc4)cccc3","c1cc2c(cc1)c3c(c4c2cccc4)cccc3","c1cc2c(cc1)c3c(c4c2cccc4)cccc3","c1cc2c(cc1)c3c(c4c2cccc4)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1658,1537,"CHRYSENE","218-01-9","c1cc2c(cc1)c3c(cc2)c4c(cccc4)cc3","c1cc2c(cc1)c3c(cc2)c4c(cccc4)cc3","c1cc2c(cc1)c3c(cc2)c4c(cccc4)cc3","c1cc2c(cc1)c3c(cc2)c4c(cccc4)cc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1659,1766,"DIBENZ(A,J)ANTHRACENE","224-41-9","c1cc2c(cc1)c3c(cc2)cc4c(c5c(cc4)cccc5)c3","c1cc2c(cc1)c3c(cc2)cc4c(c5c(cc4)cccc5)c3","c1cc2c(cc1)c3c(cc2)cc4c(c5c(cc4)cccc5)c3","c1cc2c(cc1)c3c(cc2)cc4c(c5c(cc4)cccc5)c3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1660,1679,"14H-Dibenzo[a,j]phenothiazine","224-62-4","c1cc2c(cc1)c3Nc4c(Sc3cc2)ccc5c4cccc5","c1cc2c(cc1)c3Nc4c(Sc3cc2)ccc5c4cccc5","c1cc2c(cc1)c3Nc4c(Sc3cc2)ccc5c4cccc5","c1cc2c(cc1)c3Nc4c(Sc3cc2)ccc5c4cccc5",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1661,1680,"7H-Dibenzo[c,h]phenothiazine","224-72-6","c1cc2c(cc1)c3Sc4c(Nc3cc2)ccc5c4cccc5","c1cc2c(cc1)c3Sc4c(Nc3cc2)ccc5c4cccc5","c1cc2c(cc1)c3Sc4c(Nc3cc2)ccc5c4cccc5","c1cc2c(cc1)c3Sc4c(Nc3cc2)ccc5c4cccc5",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1662,null,"12h-benzo[c]phenothiazine","225-83-2","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4","c1cc2c(cc1)Sc3c(N2)c4c(cc3)cccc4",null,"c1cc2c(cc1)Sc3c(N2)c4c(cc3)cccc4",2,1,1,"NO","NO",2,1,"Eliminate","-","Manual Check failed"]
[1663,1385,"7H-Benzo[c]phenothiazine","226-06-2","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4","c1cc2c(cc1)Sc3c(N2)ccc4c3cccc4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1664,1727,"dibenz(a,h)acridine","226-36-8","c1cc2c(cc1)c3c(cc2)nc4c5c(ccc4c3)cccc5","c1cc2c(cc1)c3c(cc2)nc4c5c(ccc4c3)cccc5","c1cc2c(cc1)c3c(cc2)nc4c(c5c(cc4)cccc5)c3","c1cc2c(cc1)c3c(cc2)nc4c5c(ccc4c3)cccc5",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[1665,1093,"PHENANTHRIDINE","229-87-8","c1cc2c(cc1)c3c(nc2)cccc3","c1cc2c(cc1)c3c(nc2)cccc3","c1cc2c(cc1)c3c(nc2)cccc3","c1cc2c(cc1)c3c(nc2)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1666,927,"1,7-PHENANTHROLINE","230-46-6","c1cc2c(nc1)c3c(cc2)nccc3","c1cc2c(nc1)c3c(cc2)nccc3",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[1667,1464,"11H-BENZO(A)FLUORENE","238-84-6","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"4513"]
[1668,1677,"13H-DIBENZO(A,I)CARBAZOLE","239-64-5","c1cc2c(cc1)c3c(cc2)c4c(c5c(cc4)cccc5)[nH]3","c1cc2c(cc1)c3c(cc2)c4c(c5c(cc4)cccc5)[nH]3",null,"c1cc2c(cc1)c3c(cc2)c4c(c5c(cc4)cccc5)[nH]3",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1669,1463,"11H-BENZO(B)FLUORENE","243-17-4","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"4514"]
[1670,3881,"PHTHALAZINE","253-52-1","c1cc2c(cc1)cnnc2","c1cc2c(cc1)cnnc2","c1cc2c(cc1)cnnc2",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1671,1094,"ACRIDINE","260-94-6","c1cc2c(cc1)nc3c(cccc3)c2","c1cc2c(cc1)nc3c(cccc3)c2","c1cc2c(cc1)nc3c(cccc3)c2","c1cc2c(cc1)nc3c(cccc3)c2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1672,931,"DIBENZO-P-DIOXIN","262-12-4","c1cc2c(cc1)Oc3c(O2)cccc3","c1cc2c(cc1)Oc3c(O2)cccc3","c1cc2c(cc1)Oc3c(O2)cccc3","c1cc2c(cc1)Oc3c(O2)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1673,3450,"INDAZOLE","271-44-3","c1cc2c(cc1)[nH]nc2","c1cc2c(cc1)[nH]nc2","c1cc2c(cc1)[nH]nc2","c1cc2c(cc1)[nH]nc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1674,2276,"1H-1,2,3-Triazolo[4,5-d]pyrimidine","273-40-5","c1nc2c(cn1)[nH]nn2","c1nc2c(cn1)n[nH]n2",null,"c1nc2c(cn1)n[nH]n2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1675,3414,"BENZOXAZOLE","273-53-0","c1cc2c(cc1)ocn2","c1cc2c(cc1)ocn2","c1cc2c(cc1)ocn2","c1cc2c(cc1)ocn2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1676,2778,"1,4-DIAZABICYCLO(2,2,2)OCTANE  (DABCO)","280-57-9",null,"C1N2CCN(C1)CC2","C1N2CCN(C1)CC2","C1N2CCN(C1)CC2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1677,2469,"CYCLOPENTANE","287-92-3","C1CCCC1","C1CCCC1","C1CCCC1","C1CCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1678,2069,"PYRAZOLE","288-13-1","c1c[nH]nc1","c1c[nH]nc1","c1c[nH]nc1","c1c[nH]nc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1679,2058,"ISO-OXAZOLE","288-14-2",null,"c1conc1","c1conc1","c1conc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1680,1919,"1,2,3-THIADIAZOLE","288-48-2","c1nnsc1","c1nnsc1","c1nnsc1","c1nnsc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1681,2284,"PYRIDAZINE","289-80-5","c1cnncc1","c1cnncc1","c1cnncc1","c1cnncc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1682,2285,"PYRIMIDINE","289-95-2","c1cncnc1","c1cncnc1","c1cncnc1","c1cncnc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1683,3240,"CYCLOHEPTANE","291-64-5","C1CCCCCC1","C1CCCCCC1","C1CCCCCC1","C1CCCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1684,3751,"CYCLOOCTANE","292-64-8","C1CCCCCCC1","C1CCCCCCC1","C1CCCCCCC1","C1CCCCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1685,3705,"THIONAZIN","297-97-2","CCOP(=S)(OCC)Oc1nccnc1","CCOP(=S)(OCC)Oc1nccnc1","CCOP(=S)(OCC)Oc1nccnc1","CCOP(=S)(OCC)Oc1nccnc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1686,200,"PHOSPHAMIDON","297-99-4","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","3959"]
[1687,3636,"PARATHION METHYL","298-00-0","COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]","COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]","COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1688,3239,"MEVINPHOS (TRANS)","298-01-1","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",null,"COC(=O)C=C(C)OP(=O)(OC)OC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","3885, 4428"]
[1689,3334,"PHORATE","298-02-2","CCOP(=S)(OCC)SCSCC","CCOP(=S)(OCC)SCSCC","CCOP(=S)(OCC)SCSCC","CCOP(=S)(OCC)SCSCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1690,3838,"Demeton-O","298-03-3","CCOP(=S)(OCC)OCCSCC","CCOP(=S)(OCC)OCCSCC","CCOP(=S)(OCC)OCCSCC","CCOP(=S)(OCC)OCCSCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1691,3836,"DISULFOTON","298-04-4","CCOP(=S)(OCC)SCCSCC","CCOP(=S)(OCC)SCCSCC","CCOP(=S)(OCC)SCCSCC","CCOP(=S)(OCC)SCCSCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1692,2336,"1,2:3,4-DIEPOXYBUTANE DL","298-18-0","C1C(O1)C2OC2","C1C(O1)C2OC2","C1C(O1)C2OC2","C1C(O1)C2OC2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","2183, 2911, 4497, 4505"]
[1693,1287,"CARBAMAZEPINE","298-46-4","NC(=O)N1c2c(C=Cc3c1cccc3)cccc2","NC(=O)N1c2c(C=Cc3c1cccc3)cccc2","NC(=O)N1c2c(C=Cc3c1cccc3)cccc2","NC(=O)N1c2c(C=Cc3c1cccc3)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1694,1872,"Cinnarizine","298-57-7","C(=Cc1ccccc1)CN2CCN(CC2)C(c3ccccc3)c4ccccc4","C(=Cc1ccccc1)CN2CCN(CC2)C(c3ccccc3)c4ccccc4","C(=Cc1ccccc1)CN2CCN(CC2)C(c3ccccc3)c4ccccc4","C(=Cc1ccccc1)CN2CCN(CC2)C(c3ccccc3)c4ccccc4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1695,934,"Methoxsalen","298-81-7","COc1c2c(cc3c1occ3)ccc(=O)o2","COc1c2c(cc3c1occ3)ccc(=O)o2","COc1c2c(cc3c1occ3)ccc(=O)o2","COc1c2c(cc3c1occ3)ccc(=O)o2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1696,1375,"SPARTEINE SULFATE","299-39-8","C1CC2N(CC1)CC3C4N(CC2C3)CCCC4","C1CC2N(CC1)CC3C4N(CC2C3)CCCC4",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[1697,147,"(1R,2S)-(-)-EPHEDRINE","299-42-3",null,"CNC(C)C(O)c1ccccc1","CNC(C)C(O)c1ccccc1","CNC(C)C(O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[1698,3934,"RONNEL","299-84-3","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Cl)Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Cl)Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Cl)Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1699,4403,"dmpa","299-85-4","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(C3)C)=CC(=O)CC4)C)CC2)C)C(C)=O","COP(=S)(NC(C)C)Oc1c(cc(cc1)Cl)Cl","COP(=S)(NC(C)C)Oc1c(cc(cc1)Cl)Cl","COP(=S)(NC(C)C)Oc1c(cc(cc1)Cl)Cl",3,1,0,"NO","NO",4,0,"Maintain","High Reliability","Stereochemistry removed, Manual Check passed",""]
[1700,677,"CRUFOMATE","299-86-5","CNP(=O)(OC)Oc1c(cc(cc1)C(C)(C)C)Cl","CNP(=O)(OC)Oc1c(cc(cc1)C(C)(C)C)Cl","CNP(=O)(OC)Oc1c(cc(cc1)C(C)(C)C)Cl","CNP(=O)(OC)Oc1c(cc(cc1)C(C)(C)C)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1701,3404,"Iodopyracet","300-37-8","O=C(O)Cn1cc(c(c(c1)I)=O)I","O=C(O)Cn1cc(c(c(c1)I)=O)I","O=C(O)Cn1cc(c(c(c1)I)=O)I","O=C(O)Cn1cc(c(c(c1)I)=O)I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Organic counterion, Differences in counterions",""]
[1702,4294,"L-Tyrosine, 3,5-dibromo-","300-38-9","NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O","NC(Cc1cc(c(c(c1)Br)O)Br)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[1703,4304,"3,5-Diiodo-L-tyrosine","300-39-0","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O","NC(Cc1cc(c(c(c1)I)O)I)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","241"]
[1704,2355,"NALED","300-76-5","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br","COP(=O)(OC)OC(Br)C(Cl)(Cl)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1705,2923,"OXYDEMETON METHYL","301-12-2","CCS(=O)CCSP(=O)(OC)OC","CCS(=O)CCSP(=O)(OC)OC","CCS(=O)CCSP(=O)(OC)OC","CCS(=O)CCSP(=O)(OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1706,null,"HYDRAZINE","302-01-2","NN","NN","NN","NN",4,0,0,"NO","NO",null,null,"Eliminate","-","Inorganic"]
[1707,1937,"CHORAL HYDRATE","302-17-0",null,"OC(O)C(Cl)(Cl)Cl","OC(O)C(Cl)(Cl)Cl","OC(O)C(Cl)(Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1708,2040,"ACONITINE","302-27-2","CCN1C2C34C(CC(C(C1)(C3C(C2C5(C(C(C6(CC4C5C6OC(=O)c7ccccc7)O)OC)O)OC(C)=O)OC)COC)O)OC","CCN1C2C34C(CC(C(C1)(C3C(C2C5(C(C(C6(CC4C5C6OC(=O)c7ccccc7)O)OC)O)OC(C)=O)OC)COC)O)OC","CCN1C2C34C(CC(C(C1)(C3C(C2C5(C(C(C6(CC4C5C6OC(=O)c7ccccc7)O)OC)O)OC(C)=O)OC)COC)O)OC","CCN1C2C34C(CC(C(C1)(C3C(C2C5(C(C(C6(CC4C5C6OC(=O)c7ccccc7)O)OC)O)OC(C)=O)OC)COC)O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1709,3188,"MEPARFYNOL CARBAMATE","302-66-9","C#CC(C)(CC)OC(N)=O","C#CC(C)(CC)OC(N)=O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[1710,2167,"ALANINE","302-72-7","CC(N)C(=O)O","CC(N)C(=O)O","CC(N)C(=O)O","CC(N)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","96, 1743"]
[1711,2178,"DL-Serine","302-84-1","NC(CO)C(=O)O","NC(CO)C(=O)O","NC(CO)C(=O)O","NC(CO)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"97, 1719, 3791"]
[1712,3486,"2,6-DIHYDROXYBENZOIC ACID","303-07-1","O=C(O)c1c(cccc1O)O","O=C(O)c1c(cccc1O)O","O=C(O)c1c(cccc1O)O","O=C(O)c1c(cccc1O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1713,2353,"Potassium Sodium Tartrate","304-59-6","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","597, 1513, 1609, 1610, 1993"]
[1714,null,"Benzenepropanoic acid, .alpha.,beta.-dihydroxy-","306-23-0",null,"O=C(O)C(O)Cc1ccc(cc1)O",null,null,1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[1715,2022,"1,1,1-TRIFLUORO-2,2-DICHLOROETHANE","306-83-2","FC(F)(F)C(Cl)Cl","FC(F)(F)C(Cl)Cl","FC(F)(F)C(Cl)Cl","FC(F)(F)C(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1716,922,"ALDRIN","309-00-2","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4CC3C=C4)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4CC3C=C4)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4CC3C=C4)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C4CC3C=C4)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1717,130,"PARAOXON","311-45-5","CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]","CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]","CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]","CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1718,2777,"2-CHLOROVINYL DIETHYL PHOSPHATE","311-47-7","CCOP(=O)(OC=CCl)OCC","CCOP(=O)(OC=CCl)OCC","CCOP(=O)(OC=CCl)OCC","CCOP(=O)(OC=CCl)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1719,2178,"D-Serine","312-84-5","NC(CO)C(=O)O","NC(CO)C(=O)O","NC(CO)C(=O)O","NC(CO)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","97, 1711, 3791"]
[1720,4107,"BROMACIL","314-40-9","CCC(C)n1c(c(c([nH]c1=O)C)Br)=O","CCC(C)n1c(c(c([nH]c1=O)C)Br)=O","CCC(C)n1c(c(c([nH]c1=O)C)Br)=O","CCC(C)n1c(c(c([nH]c1=O)C)Br)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1721,3665,"ISOCIL","314-42-1","Cc1c(c(n(c([nH]1)=O)C(C)C)=O)Br","Cc1c(c(n(c([nH]1)=O)C(C)C)=O)Br","Cc1c(c(n(c([nH]1)=O)C(C)C)=O)Br","Cc1c(c(n(c([nH]1)=O)C(C)C)=O)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1722,671,"MEXACARBATE","315-18-4","CNC(=O)Oc1cc(c(c(c1)C)N(C)C)C","CNC(=O)Oc1cc(c(c(c1)C)N(C)C)C","CNC(=O)Oc1cc(c(c(c1)C)N(C)C)C","CNC(=O)Oc1cc(c(c(c1)C)N(C)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1723,2598,"ALLOPURINOL","315-30-0","O=c1c2-c(ncn1)[nH][nH]c2","O=c1c2-c(ncn1)[nH][nH]c2","Oc1c2c(ncn1)[nH]nc2","Oc1c2c(ncn1)[nH]nc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1724,2848,"ISOLEUCINE","319-78-8","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","301, 1789, 3806, 3328"]
[1725,3066,"ALPHA-HEXACHLOROCYCLOHEXANE","319-84-6","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","159, 1726, 1727"]
[1726,3066,"BETA-HEXACHLOROCYCLOHEXANE","319-85-7","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","159, 1725, 1727"]
[1727,3066,"DELTA-HEXACHLOROCYCLOHEXANE","319-86-8","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl","ClC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","159, 1725, 1726"]
[1728,3398,"5-CHLOROSALICYLIC ACID","321-14-2","O=C(O)c1c(ccc(c1)Cl)O","O=C(O)c1c(ccc(c1)Cl)O","O=C(O)c1c(ccc(c1)Cl)O","O=C(O)c1c(ccc(c1)Cl)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1729,288,"1-FLUORONAPHTHALENE","321-38-0","Fc1c2c(ccc1)cccc2","Fc1c2c(ccc1)cccc2","Fc1c2c(ccc1)cccc2","Fc1c2c(ccc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1730,4016,"Acetamide, N-(4-fluoro-2-methylphenyl)-","326-65-8","CC(=O)Nc1c(cc(cc1)F)C",null,"CC(=O)Nc1c(cc(cc1)F)C","CC(=O)Nc1c(cc(cc1)F)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1731,4015,"Acetamide, N-(2-fluoro-4-methylphenyl)-","326-67-0","CC(=O)Nc1c(cc(cc1)C)F",null,"CC(=O)Nc1c(cc(cc1)C)F","CC(=O)Nc1c(cc(cc1)C)F",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1732,2942,"1,2,4,5-TETRAFLUOROBENZENE","327-54-8","Fc1c(cc(c(c1)F)F)F","Fc1c(cc(c(c1)F)F)F","Fc1c(cc(c(c1)F)F)F","Fc1c(cc(c(c1)F)F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1733,2847,"a-aminocaproicacid","327-57-1",null,"CCCCC(N)C(=O)O",null,"CCCCC(N)C(=O)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed","2441, 3572"]
[1734,1427,"Chlorogenic Acid","327-97-9","O=C(C=Cc1cc(c(cc1)O)O)OC2C(C(CC(C2)(O)C(=O)O)O)O","O=C(C=Cc1cc(c(cc1)O)O)OC2C(C(CC(C2)(O)C(=O)O)O)O","O=C(C=Cc1cc(c(cc1)O)O)OC2C(C(CC(C2)(O)C(=O)O)O)O","O=C(C=Cc1cc(c(cc1)O)O)OC2C(C(CC(C2)(O)C(=O)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1735,51,"TRICHLORONATE","327-98-0","CCOP(=S)(CC)Oc1c(cc(c(c1)Cl)Cl)Cl","CCOP(=S)(CC)Oc1c(cc(c(c1)Cl)Cl)Cl","CCOP(=S)(CC)Oc1c(cc(c(c1)Cl)Cl)Cl","CCOP(=S)(CC)Oc1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1736,2850,"LEUCINE","328-39-2","CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O","CC(C)CC(N)C(=O)O",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","203"]
[1737,3023,"2,5-DINITROPHENOL","329-71-5","O=[N+]([O-])c1cc(c(cc1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(c(cc1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(c(cc1)[N+](=O)[O-])O","O=[N+]([O-])c1cc(c(cc1)[N+](=O)[O-])O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1738,3243,"Cyclohexyl methylphosphonofluoridate","329-99-7","CP(=O)(F)OC1CCCCC1","CP(=O)(F)OC1CCCCC1","CP(=O)(F)OC1CCCCC1","CP(=O)(F)OC1CCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1739,4010,"DIURON","330-54-1","CN(C)C(=O)Nc1cc(c(cc1)Cl)Cl","CN(C)C(=O)Nc1cc(c(cc1)Cl)Cl","CN(C)C(=O)Nc1cc(c(cc1)Cl)Cl","CN(C)C(=O)Nc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1740,4011,"LINURON","330-55-2","CON(C)C(=O)Nc1cc(c(cc1)Cl)Cl","CON(C)C(=O)Nc1cc(c(cc1)Cl)Cl","CON(C)C(=O)Nc1cc(c(cc1)Cl)Cl","CON(C)C(=O)Nc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1741,686,"DIAZINON","333-41-5","CCOP(=S)(OCC)Oc1nc(nc(c1)C)C(C)C","CCOP(=S)(OCC)Oc1nc(nc(c1)C)C(C)C","CCOP(=S)(OCC)Oc1nc(nc(c1)C)C(C)C",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1742,225,"DECANOIC ACID","334-48-5","CCCCCCCCCC(=O)O","CCCCCCCCCC(=O)O","CCCCCCCCCC(=O)O","CCCCCCCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1743,2167,"D-Alanine","338-69-2","CC(N)C(=O)O","CC(N)C(=O)O","CC(N)C(=O)O","CC(N)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","96, 1710"]
[1744,456,"CARBUTAMIDE","339-43-5","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N","CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1745,3446,"O-FLUOROBENZYL CHLORIDE","345-35-7","Fc1c(cccc1)CCl","Fc1c(cccc1)CCl","Fc1c(cccc1)CCl","Fc1c(cccc1)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1746,2997,"1-CHLORO-2-FLUOROBENZENE","348-51-6","Fc1c(cccc1)Cl","Fc1c(cccc1)Cl","Fc1c(cccc1)Cl","Fc1c(cccc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1747,3444,"P-FLUOROBENZYL CHLORIDE","352-11-4","Fc1ccc(cc1)CCl","Fc1ccc(cc1)CCl",null,"Fc1ccc(cc1)CCl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1748,3010,"Benzene, 1-fluoro-4-iodo-","352-34-1","Fc1ccc(cc1)I","Fc1ccc(cc1)I","Fc1ccc(cc1)I","Fc1ccc(cc1)I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1749,2249,"DIETHYLSULFIDE","352-93-2","CCSCC","CCSCC","CCSCC","CCSCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1750,4608,"Glycocyamine","352-97-6","N=C(N)NCC(=O)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on PubChem, Manual Check passed",""]
[1751,1974,"FLUOROETHANE","353-36-6","CCF","CCF","CCF","CCF",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1752,1824,"BRUCINE","357-57-3","COc1c(cc2c(c1)N3C(CC4OCC=C5CN6CCC27C3C4C5CC76)=O)OC","COc1c(cc2c(c1)N3C(CC4OCC=C5CN6CCC27C3C4C5CC76)=O)OC","COc1c(cc2c(c1)N3C(CC4OCC=C5CN6CCC27C3C4C5CC76)=O)OC","COc1c(cc2c(c1)N3C(CC4OCC=C5CN6CCC27C3C4C5CC76)=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1753,null,"GLYCODEOXYCHOLIC ACID","360-65-6","CC(CCCNCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C","CC(CCCNCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2O)C",null,null,2,0,2,"NO","NO",2,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[1754,null,"2,4,6-Cycloheptatrien-1-one, 3,5,7-tribromo-2-hy","363-67-7",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[1755,1214,"METOCLOPRAMIDE","364-62-5","CCN(CC)CCNC(=O)c1c(cc(c(c1)Cl)N)OC","CCN(CC)CCNC(=O)c1c(cc(c(c1)Cl)N)OC","CCN(CC)CCNC(=O)c1c(cc(c(c1)Cl)N)OC","CCN(CC)CCNC(=O)c1c(cc(c(c1)Cl)N)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[1756,304,"2,2-BIPYRIDINE","366-18-7","c1cnc(cc1)-c2ncccc2","c1cnc(cc1)-c2ncccc2","c1cnc(cc1)-c2ncccc2","c1cnc(cc1)-c2ncccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1757,3008,"1,2-DIFLUOROBENZENE","367-11-3","Fc1c(cccc1)F","Fc1c(cccc1)F","Fc1c(cccc1)F","Fc1c(cccc1)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1758,3186,"L-Histidine, 3-methyl-","368-16-1","Cn1c(cnc1)CC(N)C(=O)O","Cn1c(cnc1)CC(N)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[1759,null,"BENZENEDIAZONIUM HEXAFLUOPHOSPHATE (1-)","369-58-4","F[P-](F)(F)(F)(F)F","F[P-](F)(F)(F)(F)F",null,"F[P-](F)(F)(F)(F)F",3,0,1,"NO","NO",null,null,"Eliminate","-","Inorganic"]
[1760,1975,"2-FLUOROETHANOL","371-62-0","OCCF","OCCF","OCCF","OCCF",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1761,2924,"ISOPESTOX","371-86-8","CC(C)NP(=O)(F)NC(C)C","CC(C)NP(=O)(F)NC(C)C","CC(C)NP(=O)(F)NC(C)C","CC(C)NP(=O)(F)NC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1762,3007,"M-DIFLUOROBENZENE","372-18-9","Fc1cc(ccc1)F","Fc1cc(ccc1)F","Fc1cc(ccc1)F","Fc1cc(ccc1)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1763,3100,"Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl est","372-31-6",null,"CCOC(=O)CC(=O)C(F)(F)F","CCOC(=O)CC(=O)C(F)(F)F","CCOC(=O)CC(=O)C(F)(F)F",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1764,2097,"1,1,1-TRIFLUORO-2-PROPANOL","374-01-6","CC(O)C(F)(F)F","CC(O)C(F)(F)F","CC(O)C(F)(F)F","CC(O)C(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1765,1890,"1,1-DICHLORO-1,2,2,2-TETRAFLUOROETHANE","374-07-2","FC(F)(F)C(F)(Cl)Cl","FC(F)(F)C(F)(Cl)Cl","FC(F)(F)C(F)(Cl)Cl","FC(F)(F)C(F)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1766,1805,"BETAMETHASONE","378-44-9","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","2"]
[1767,583,"5-ETHYL-5-(P-HYDROXYPHENYL)BARBITURIC ACID","379-34-0","CCC1(C(NC(NC1=O)=O)=O)c2ccc(cc2)O","CCC1(C(NC(NC1=O)=O)=O)c2ccc(cc2)O",null,"CCC1(C(NC(NC1=O)=O)=O)c2ccc(cc2)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1768,null,"Triphenyltin fluoride","379-52-2","c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1",null,"F[Sn](c1ccccc1)(c2ccccc2)c3ccccc3","F[Sn](c1ccccc1)(c2ccccc2)c3ccccc3",2,1,1,"NO","YES",null,null,"Eliminate","-","Unusual elements, Missing/ambiguous"]
[1769,1917,"Acetic acid, difluoro-","381-73-7","O=C(O)C(F)F","O=C(O)C(F)F","O=C(O)C(F)F","O=C(O)C(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1770,1651,"Andrenosterone","382-45-6",null,"CC12C(C3C(C(C1)=O)C4(C(CC3)=CC(=O)CC4)C)CCC2=O",null,null,1,0,3,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[1771,582,"NALIDIXIC ACID","389-08-2","CCn1c2c(c(c(c1)C(=O)O)=O)ccc(C)n2","CCn1c2c(c(c(c1)C(=O)O)=O)ccc(C)n2","CCn1c2c(c(c(c1)C(=O)O)=O)ccc(C)n2","CCn1c2c(c(c(c1)C(=O)O)=O)ccc(C)n2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1772,4060,"4-Fluoro-2-propyl-phenol","398-88-9","CCCc1c(ccc(c1)F)O",null,"CCCc1c(ccc(c1)F)O","CCCc1c(ccc(c1)F)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1773,3635,"Nidroxyzone","405-22-1","NC(=O)N(CCO)N=Cc1oc(cc1)[N+](=O)[O-]","NC(=O)N(CCO)N=Cc1oc(cc1)[N+](=O)[O-]",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[1774,2305,"FLUROXENE","406-90-6","C=COCC(F)(F)F","C=COCC(F)(F)F","C=COCC(F)(F)F","C=COCC(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1775,4341,"CYANAMIDE","420-04-2","N#CN","N#CN","N#CN","N#CN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1776,1804,"FLUOROMETHALONE","426-13-1","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(C3)C)=CC(=O)C=C4)C)(F)C(O)C2)C)O","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(C3)C)=CC(=O)C=C4)C)(F)C(O)C2)C)O","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(C3)C)=CC(=O)C=C4)C)(F)C(O)C2)C)O","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(C3)C)=CC(=O)C=C4)C)(F)C(O)C2)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1777,2335,"2,3-BUTANEDIONE","431-03-8","CC(=O)C(C)=O","CC(=O)C(C)=O","CC(=O)C(C)=O","CC(=O)C(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1778,3865,"Benzoic acid, 2-(trifluoromethyl)-","433-97-6","O=C(O)c1c(cccc1)C(F)(F)F","O=C(O)c1c(cccc1)C(F)(F)F",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[1779,1750,"Ethisterone","434-03-7","C#CC1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O","C#CC1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O","C#CC1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O","C#CC1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)CC2)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1780,1852,"LITHOCHOLIC ACID","434-13-9","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3)CC(O)CC4)C)CC2)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1781,1580,"NANDROLONE","434-22-0","CC12C(C3C(CC1)C4C(=CC(CC4)=O)CC3)CCC2O","CC12C(C3C(CC1)C4C(=CC(CC4)=O)CC3)CCC2O","CC12C(C3C(CC1)C4C(=CC(CC4)=O)CC3)CCC2O","CC12C(C3C(CC1)C4C(=CC(CC4)=O)CC3)CCC2O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1782,null,"Azuleno[6,5-b]furan-2,6-(3H,4H)-dione, 3a,7,7a,8","436-45-3",null,"CC=1C(CC2C1C(O)C3C(C(OC3CC2C)=O)C)=O",null,null,1,0,3,"NO","NO",1,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[1783,1796,"FENTANYL","437-38-7","CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3","CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3","CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3","CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1784,1109,"Gentisin","437-50-3","COc1cc2c(c(c1)O)c(=O)c3c(ccc(c3)O)o2","COc1cc2c(c(c1)O)c(=O)c3c(ccc(c3)O)o2","COc1cc2c(c(c1)O)c(=O)c3c(ccc(c3)O)o2","COc1cc2c(c(c1)O)c(=O)c3c(ccc(c3)O)o2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1785,1394,"DIAZEPAM","439-14-5","CN1c2c(C(=NCC1=O)c3ccccc3)cc(Cl)cc2","CN1c2c(C(=NCC1=O)c3ccccc3)cc(Cl)cc2","CN1c2c(C(=NCC1=O)c3ccccc3)cc(Cl)cc2","CN1c2c(C(=NCC1=O)c3ccccc3)cc(Cl)cc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1786,557,"Iodamide","440-58-4","CC(=O)NCc1c(c(c(c(c1I)NC(C)=O)I)C(=O)O)I","CC(=O)NCc1c(c(c(c(c1I)NC(C)=O)I)C(=O)O)I","CC(=O)NCc1c(c(c(c(c1I)NC(C)=O)I)C(=O)O)I","CC(=O)NCc1c(c(c(c(c1I)NC(C)=O)I)C(=O)O)I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1787,1311,"3,9-Acridinediamine, 7-ethoxy-, monohydrate","442-16-0","CCOc1cc2c(cc1)nc3c(ccc(c3)N)c2N","CCOc1cc2c(cc1)nc3c(ccc(c3)N)c2N",null,"CCOc1cc2c(cc1)nc3c(ccc(c3)N)c2N",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Differences in counterions",""]
[1788,3157,"METRONIDAZOLE","443-48-1","Cc1n(c(cn1)[N+](=O)[O-])CCO","Cc1n(c(cn1)[N+](=O)[O-])CCO","Cc1n(c(cn1)[N+](=O)[O-])CCO","Cc1n(c(cn1)[N+](=O)[O-])CCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1789,2848,"DL-Isoleucine","443-79-8","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","301, 1724, 3806, 3328"]
[1790,3403,"2-FLUOROBENZOIC ACID","445-29-4","O=C(O)c1c(cccc1)F","O=C(O)c1c(cccc1)F","O=C(O)c1c(cccc1)F","O=C(O)c1c(cccc1)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1791,3011,"5-FLUORO-2-NITROPHENOL","446-36-6","O=[N+]([O-])c1c(cc(cc1)F)O","O=[N+]([O-])c1c(cc(cc1)F)O","O=[N+]([O-])c1c(cc(cc1)F)O","O=[N+]([O-])c1c(cc(cc1)F)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1792,3976,"BENZENEACETIC ACID, 2,5-DIHYDROXY-","451-13-8","O=C(O)Cc1c(ccc(c1)O)O","O=C(O)Cc1c(ccc(c1)O)O","O=C(O)Cc1c(ccc(c1)O)O","O=C(O)Cc1c(ccc(c1)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1793,2618,"1H-Purin-2-amine","452-06-2","Nc1[nH]cc2-c(n1)ncn2","Nc1nc2c(cn1)[nH]cn2","Nc1nc2c(cn1)[nH]cn2","Nc1nc2c(cn1)[nH]cn2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1794,4018,"ETHOXYZOLAMIDE","452-35-7","CCOc1cc2c(cc1)nc(S(N)(=O)=O)s2","CCOc1cc2c(cc1)nc(S(N)(=O)=O)s2","CCOc1cc2c(cc1)nc(S(N)(=O)=O)s2","CCOc1cc2c(cc1)nc(S(N)(=O)=O)s2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1795,2424,"3-Furanol, tetrahydro-","453-20-3","OC1COCC1","OC1COCC1","OC1COCC1","OC1COCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1796,3370,"Benzoic acid, 4-fluoro-3-nitro-","453-71-4","O=C(O)c1cc(c(cc1)F)[N+](=O)[O-]","O=C(O)c1cc(c(cc1)F)[N+](=O)[O-]","O=C(O)c1cc(c(cc1)F)[N+](=O)[O-]","O=C(O)c1cc(c(cc1)F)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1797,3401,"M-FLUOROBENZOIC ACID","455-38-9","O=C(O)c1cc(ccc1)F","O=C(O)c1cc(ccc1)F","O=C(O)c1cc(ccc1)F","O=C(O)c1cc(ccc1)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1798,3402,"P-FLUOROBENZOIC ACID","456-22-4","O=C(O)c1ccc(cc1)F","O=C(O)c1ccc(cc1)F","O=C(O)c1ccc(cc1)F","O=C(O)c1ccc(cc1)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1799,3445,"M-FLUOROBENZYL CHLORIDE","456-42-8","Fc1cc(ccc1)CCl","Fc1cc(ccc1)CCl","Fc1cc(ccc1)CCl","Fc1cc(ccc1)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1800,3788,"2-PROPYLPIPERIDINE","458-88-8","CCCC1NCCCC1","CCCC1NCCCC1","CCCC1NCCCC1","CCCC1NCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1801,2271,"DIACETYLENE","460-12-8","C#CC#C","C#CC#C","C#CC#C","C#CC#C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1802,2122,"Ethane, 1,1-difluoro-2-methoxy-","461-57-4","COCC(F)F",null,"COCC(F)F","COCC(F)F",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1803,1961,"2-CYANOGUANIDINE","461-58-5","N#CN=C(N)N","N#CN=C(N)N","N#CNC(=N)N","N#CNC(=N)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1804,2071,"HYDANTOIN","461-72-3","O=C1NC(NC1)=O","O=C1NC(NC1)=O","O=C1NC(NC1)=O","O=C1NC(NC1)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1805,3154,"2,6-DIMETHYL-4-PYRIMIDINAMINE","461-98-3","Cc1nc(nc(c1)N)C","Cc1nc(nc(c1)N)C",null,"Cc1nc(nc(c1)N)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1806,4604,"1,3,5-Trioxane-2,4,6-triimine","462-02-2","N=c1oc(oc(o1)=N)=N",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on PubChem, Manual Check passed",""]
[1807,3045,"FLUOROBENZENE","462-06-6","Fc1ccccc1","Fc1ccccc1","Fc1ccccc1","Fc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1808,2630,"3-AMINOPYRIDINE","462-08-8","Nc1cnccc1","Nc1cnccc1","Nc1cnccc1","Nc1cnccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1809,2129,"N-(AMINOCARBONYL)GLYCINE","462-60-2","NC(=O)NCC(=O)O","NC(=O)NCC(=O)O",null,"NC(=O)NCC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1810,2400,".beta.-Alanine, N-(aminocarbonyl)-","462-88-4","NC(=O)NCCC(=O)O","NC(=O)NCCC(=O)O",null,"NC(=O)NCCC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1811,2567,"DIETHOXYMETHANE","462-95-3","CCOCOCC","CCOCOCC","CCOCOCC","CCOCOCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1812,2542,"2,2-DIMETHYLPROPANE","463-82-1","CC(C)(C)C","CC(C)(C)C","CC(C)(C)C","CC(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1813,2889,"3,3-DIMETHYL-2-BUTANOL","464-07-3","CC(O)C(C)(C)C","CC(O)C(C)(C)C","CC(O)C(C)(C)C","CC(O)C(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1814,191,"d-Borneol","464-43-7","CC1(C2(CCC1CC2O)C)C","CC1(C2(CCC1CC2O)C)C","CC1(C2(CCC1CC2O)C)C","CC1(C2(CCC1CC2O)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1941"]
[1815,169,"(1R,4R)-(+)-CAMPHOR","464-49-3","CC12C(CC(CC1)C2(C)C)=O","CC12C(CC(CC1)C2(C)C)=O","CC12C(CC(CC1)C2(C)C)=O","CC12C(CC(CC1)C2(C)C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","393"]
[1816,1647,"QUINAMINE","464-85-7","C=CC1C2CCN(C1)C(C2)C34C(c5c(N3)cccc5)(O)CCO4","C=CC1C2CCN(C1)C(C2)C34C(c5c(N3)cccc5)(O)CCO4","C=CC1C2CCN(C1)C(C2)C34C(c5c(N3)cccc5)(O)CCO4","C=CC1C2CCN(C1)C(C2)C34C(c5c(N3)cccc5)(O)CCO4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1817,null,"Cyclopentanecarboxylic acid, 1,2,2,3-tetramethyl","464-88-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[1818,140,"CAMPHORQUINONE","465-29-2","CC12C(C(C(CC1)C2(C)C)=O)=O","CC12C(C(C(CC1)C2(C)C)=O)=O","CC12C(C(C(CC1)C2(C)C)=O)=O","CC12C(C(C(CC1)C2(C)C)=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1819,1808,"Aspidospermine","466-49-9","CCC12CCC3C4(CCN(CCC1)C24)c5c(c(ccc5)OC)N3C(C)=O","CCC12CCC3C4(CCN(CCC1)C24)c5c(c(ccc5)OC)N3C(C)=O","CCC12CCC3C4(CCN(CCC1)C24)c5c(c(ccc5)OC)N3C(C)=O","CCC12CCC3C4(CCN(CCC1)C24)c5c(c(ccc5)OC)N3C(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1820,1104,"FLURENOL","467-69-6","O=C(O)C1(c2c(-c3c1cccc3)cccc2)O","O=C(O)C1(c2c(-c3c1cccc3)cccc2)O","O=C(O)C1(c2c(-c3c1cccc3)cccc2)O","O=C(O)C1(c2c(-c3c1cccc3)cccc2)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1821,1561,"Thebainone","467-98-1",null,null,"COc1c(c2c(cc1)CC3N(CCC24C3C=CC(=O)C4)C)O","COc1c(c2c(cc1)CC3N(CCC24C3C=CC(=O)C4)C)O",2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[1822,1806,"PROPOXYPHENE","469-62-5","CCC(=O)OC(Cc1ccccc1)(c2ccccc2)C(C)CN(C)C","CCC(=O)OC(Cc1ccccc1)(c2ccccc2)C(C)CN(C)C","CCC(=O)OC(Cc1ccccc1)(c2ccccc2)C(C)CN(C)C","CCC(=O)OC(Cc1ccccc1)(c2ccccc2)C(C)CN(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1823,null,"1,3-Cyclopentanedicarboxylic acid, 1,4,4-trimeth","470-64-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[1824,192,"1,8-CINEOLE","470-82-6","CC12CCC(CC1)C(C)(C)O2","CC12CCC(CC1)C(C)(C)O2","CC12CCC(CC1)C(C)(C)O2","CC12CCC(CC1)C(C)(C)O2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1825,604,"CHLORFENVINPHOS","470-90-6","CCOP(=O)(OCC)OC(=CCl)c1c(cc(cc1)Cl)Cl","CCOP(=O)(OCC)OC(=CCl)c1c(cc(cc1)Cl)Cl","CCOP(=O)(OCC)OC(=CCl)c1c(cc(cc1)Cl)Cl","CCOP(=O)(OCC)OC(=CCl)c1c(cc(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1826,2387,"1,1'-SULFONYLBIS(2-CHLOROETHANE)","471-03-4","O=S(=O)(CCCl)CCCl","O=S(=O)(CCCl)CCCl",null,"O=S(=O)(CCCl)CCCl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1827,2009,"METHYLGUANIDINE","471-29-4","CNC(=N)N","CN=C(N)N","CNC(=N)N","CNC(=N)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1828,1960,"OXAMIDE","471-46-5","NC(=O)C(N)=O","NC(=O)C(N)=O","NC(=O)C(N)=O","NC(=O)C(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1829,null,"2H-Pyran-2,5-dicarboxylic acid, tetrahydro-2,6,6","473-18-7",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[1830,4308,"Thiazolsulfone","473-30-3","Nc1ccc(cc1)S(=O)(=O)c2sc(nc2)N","Nc1ccc(cc1)S(=O)(=O)c2sc(nc2)N",null,"Nc1ccc(cc1)S(=O)(=O)c2sc(nc2)N",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1831,3503,"Benzenesulfonamide, N,N-dichloro-4-methyl-","473-34-7","Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl","Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl","Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl","Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1832,null,"Cyclopentaneacetic acid, 3-carboxy-.alpha.,.alph","473-35-8",null,"CC(C)(C(=O)O)C1CC(CC1)C(=O)O",null,null,1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[1833,172,"Cyclobutaneacetic acid, 3-acetyl-2,2-dimethyl-","473-72-3","CC(=O)C1C(C(C1)CC(=O)O)(C)C","CC(=O)C1C(C(C1)CC(=O)O)(C)C","CC(=O)C1C(C(C1)CC(=O)O)(C)C","CC(=O)C1C(C(C1)CC(=O)O)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1834,2151,"Glyceric Acid","473-81-4","O=C(O)C(O)CO","O=C(O)C(O)CO",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[1835,1853,"CHENODEOXYCHOLIC ACID","474-25-9","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C","CC(CCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1485"]
[1836,1558,"Equilin","474-86-2","CC12C(C=3C(CC1)c4c(CC3)cc(O)cc4)CCC2=O","CC12C(C=3C(CC1)c4c(CC3)cc(O)cc4)CCC2=O","CC12C(C=3C(CC1)c4c(CC3)cc(O)cc4)CCC2=O","CC12C(C=3C(CC1)c4c(CC3)cc(O)cc4)CCC2=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1837,1390,"Hematein","475-25-2","O=C1C(=CC=2C(=C1)CC3(C2c4c(OC3)c(c(cc4)O)O)O)O","O=C1C(=CC=2C(=C1)CC3(C2c4c(OC3)c(c(cc4)O)O)O)O","O=C1C(=CC=2C(=C1)CC3(C2c4c(OC3)c(c(cc4)O)O)O)O","O=C1C(=CC=2C(=C1)CC3(C2c4c(OC3)c(c(cc4)O)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1838,1875,"GLYCOCHOLIC ACID","475-31-0","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1839,1784,"Picropodophyllin","477-47-4","COc1c(c(cc(c1)C2C3C(C(c4c2cc5OCOc5c4)O)COC3=O)OC)OC","COc1c(c(cc(c1)C2C3C(C(c4c2cc5OCOc5c4)O)COC3=O)OC)OC","COc1c(c(cc(c1)C2C3C(C(c4c2cc5OCOc5c4)O)COC3=O)OC)OC","COc1c(c(cc(c1)C2C3C(C(c4c2cc5OCOc5c4)O)COC3=O)OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1840,null,"Safranine T","477-73-6","Cc1c(cc2c(c1)nc3c(ccc(c3C)N)[n+]2-c4ccccc4)N","Cc1c(cc2c(c1)nc3c(ccc(c3C)N)[n+]2-c4ccccc4)N","Cc1c(cc2c(c1)nc3c(cc(c(c3)C)N)[n+]2-c4ccccc4)N","Cc1c(cc2c(c1)nc3c(cc(c(c3)C)N)[n+]2-c4ccccc4)N",2,2,0,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[1841,125,"Dyphylline","479-18-5","Cn1c(n(c2c(c1=O)n(cn2)CC(O)CO)C)=O","Cn1c(n(c2c(c1=O)n(cn2)CC(O)CO)C)=O","Cn1c(n(c2c(c1=O)n(cn2)CC(O)CO)C)=O","Cn1c(n(c2c(c1=O)n(cn2)CC(O)CO)C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1842,1681,"CHOLANTHRENE","479-23-2","c1cc2c3c(c1)CCc3c4c(c5c(cc4)cccc5)c2","c1cc2c3c(c1)CCc3c4c(c5c(cc4)cccc5)c2","c1cc2c3c(c1)CCc3c4c(c5c(cc4)cccc5)c2",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1843,8,"1,8-NAPHTHALENEDIAMINE","479-27-6","Nc1c2c(ccc1)cccc2N","Nc1c2c(ccc1)cccc2N","Nc1c2c(ccc1)cccc2N","Nc1c2c(ccc1)cccc2N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1844,3413,"TETRYL","479-45-8","CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1845,null,"3h-pyrazol-3-one,1,2-dihydro-1,5-dimethyl-4-(1-","479-92-5",null,"Cc1n(n(c(c1C(C)C)=O)-c2ccccc2)C",null,"Cc1n(n(c(c1C(C)C)=O)-c2ccccc2)C",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[1846,1362,"Aucubin","479-98-1","OCC=1C2C(C(C1)O)C=COC2OC3C(C(C(C(O3)CO)O)O)O","OCC=1C2C(C(C1)O)C=COC2OC3C(C(C(C(O3)CO)O)O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[1847,1270,"MORIN","480-16-0","O=c1c2c(oc(c1O)-c3c(cc(cc3)O)O)cc(O)cc2O","O=c1c2c(oc(c1O)-c3c(cc(cc3)O)O)cc(O)cc2O","O=c1c2c(oc(c1O)-c3c(cc(cc3)O)O)cc(O)cc2O","O=c1c2c(oc(c1O)-c3c(cc(cc3)O)O)cc(O)cc2O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1848,73,"2,4,6-Trimethylbenzoic acid","480-63-7","Cc1cc(c(c(c1)C)C(=O)O)C","Cc1cc(c(c(c1)C)C(=O)O)C","Cc1cc(c(c(c1)C)C(=O)O)C","Cc1cc(c(c(c1)C)C(=O)O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1849,3975,"Benzoic acid, 2,6-dihydroxy-4-methyl-","480-67-1","Cc1cc(c(c(c1)O)C(=O)O)O","Cc1cc(c(c(c1)O)C(=O)O)O","Cc1cc(c(c(c1)O)C(=O)O)O","Cc1cc(c(c(c1)O)C(=O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1850,2275,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro-","480-68-2","O=C1NC(C(C(N1)=O)[N+](=O)[O-])=O","O=C1NC(C(C(N1)=O)[N+](=O)[O-])=O","O=C1NC(C(C(N1)=O)[N+](=O)[O-])=O","O=C1NC(C(C(N1)=O)[N+](=O)[O-])=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1851,1339,"SANTONIN","481-06-1","CC=1C(C=CC2(C1C3C(C(C(O3)=O)C)CC2)C)=O","CC=1C(C=CC2(C1C3C(C(C(O3)=O)C)CC2)C)=O","CC=1C(C=CC2(C1C3C(C(C(O3)=O)C)CC2)C)=O","CC=1C(C=CC2(C1C3C(C(C(O3)=O)C)CC2)C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1852,1662,"Epiandrosterone","481-29-8","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(CC1)C4(C(CC3)CC(O)CC4)C)CCC2=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","71, 1982"]
[1853,4139,"Ecgonine","481-37-8","CN1C2CCC1CC(C2C(=O)O)O","CN1C2CCC1CC(C2C(=O)O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[1854,521,"1,4-Naphthalenedione, 5-hydroxy-2-methyl-","481-42-5","CC=1C(c2c(C(C1)=O)c(O)ccc2)=O","CC=1C(c2c(C(C1)=O)c(O)ccc2)=O","CC=1C(c2c(C(C1)=O)c(O)ccc2)=O","CC=1C(c2c(C(C1)=O)c(O)ccc2)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1855,1108,"1,1'-BIPHENYL -2,2'-DICARBOXYLIC ACID","482-05-3","O=C(O)c1c(cccc1)-c2c(cccc2)C(=O)O","O=C(O)c1c(cccc1)-c2c(cccc2)C(=O)O","O=C(O)c1c(cccc1)-c2c(cccc2)C(=O)O","O=C(O)c1c(cccc1)-c2c(cccc2)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1856,3523,"Fervenulin","483-57-8","Cn1c(n(c2c(c1=O)ncnn2)C)=O","Cn1c(n(c2c(c1=O)ncnn2)C)=O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[1857,1321,"Osthole","484-12-8","COc1c(c2c(cc1)ccc(=O)o2)CC=C(C)C","COc1c(c2c(cc1)ccc(=O)o2)CC=C(C)C","COc1c(c2c(cc1)ccc(=O)o2)CC=C(C)C","COc1c(c2c(cc1)ccc(=O)o2)CC=C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1858,1335,"BINAPACRYL","485-31-4","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C","CCC(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1859,411,"CYTISINE","485-35-8","O=c1n2c(ccc1)C3CNCC(C2)C3","O=c1n2c(ccc1)C3CNCC(C2)C3",null,"O=c1n2c(ccc1)C3CNCC(C2)C3",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[1860,170,"Iridomyrmecin","485-43-8","CC1C2C(CC1)C(C)C(=O)OC2","CC1C2C(CC1)C(C)C(=O)OC2","CC1C2C(CC1)C(C)C(=O)OC2","CC1C2C(CC1)C(C)C(=O)OC2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1861,1646,"Hydrocinchonine","485-65-4","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1862,1638,"CINCHONIDINE","485-71-2","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4","C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",null,"C=CC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)cccc4",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","1317"]
[1863,4424,"PYRROLO[2,1-b]QUINAZOLIN-9(1H)-ONE,2,3-DIHYDRO-3","486-64-6",null,"O=c1n2c(nc3c1cccc3)C(CC2)O",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[1864,640,"Caulophylline","486-86-2","CN1CC2CC(C1)Cn3c2cccc3=O","CN1CC2CC(C1)Cn3c2cccc3=O","CN1CC2CC(C1)Cn3c2cccc3=O","CN1CC2CC(C1)Cn3c2cccc3=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1865,3028,"Lumazine","487-21-8","O=c1[nH]c2c(c([nH]1)=O)nccn2","O=c1[nH]c2c(c([nH]1)=O)nccn2","Oc1nc2c(c(n1)O)nccn2","Oc1nc2c(c(n1)O)nccn2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1866,1879,"Phillyrin","487-41-2","COc1c(cc(cc1)C2C3C(CO2)C(c4cc(c(cc4)OC5C(C(C(C(O5)CO)O)O)O)OC)OC3)OC","COc1c(cc(cc1)C2C3C(CO2)C(c4cc(c(cc4)OC5C(C(C(C(O5)CO)O)O)O)OC)OC3)OC","COc1c(cc(cc1)C2C3C(CO2)C(c4cc(c(cc4)OC5C(C(C(C(O5)CO)O)O)O)OC)OC3)OC","COc1c(cc(cc1)C2C3C(CO2)C(c4cc(c(cc4)OC5C(C(C(C(O5)CO)O)O)O)OC)OC3)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1867,null,"1h-pyrrole-3-propanoicacid,2,5-dihydro-4-methy","487-65-0",null,"CC=1C(NC(C1CCC(=O)O)=O)=O",null,"CC=1C(NC(C1CCC(=O)O)=O)=O",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[1868,3331,"D-glycero-D-manno-Heptitol","488-38-0","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","2810, 3371, 1997"]
[1869,2835,"Scyllitol","488-59-5","OC1C(C(C(C(C1O)O)O)O)O","OC1C(C(C(C(C1O)O)O)O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","603"]
[1870,2834,"d-Quercitol","488-73-3","OC1C(C(C(C(C1)O)O)O)O","OC1C(C(C(C(C1)O)O)O)O","OC1C(C(C(C(C1)O)O)O)O","OC1C(C(C(C(C1)O)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1871,1331,"Azulene, 1,4-dimethyl-7-(1-methylethyl)-","489-84-9","Cc1c2-c(cc(cc1)C(C)C)c(C)cc2","Cc1c2-c(cc(cc1)C(C)C)c(C)cc2","Cc1c2-c(cc(cc1)C(C)C)c(C)cc2","Cc1c2-c(cc(cc1)C(C)C)c(C)cc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1872,3421,"CINCHOMERONIC ACID","490-11-9","O=C(O)c1c(cncc1)C(=O)O","O=C(O)c1c(cncc1)C(=O)O","O=C(O)c1c(cncc1)C(=O)O","O=C(O)c1c(cncc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1873,4241,"1,3-Benzodioxole-5,6-dicarboxylic acid","490-26-6","O=C(O)c1c(cc2c(c1)OCO2)C(=O)O",null,"O=C(O)c1c(cc2c(c1)OCO2)C(=O)O","O=C(O)c1c(cc2c(c1)OCO2)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1874,null,"ICHTHYOPTE","490-58-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[1875,1657,"MONOTROPITOSIDE","490-67-5","COC(=O)c1c(cccc1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O","COC(=O)c1c(cccc1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O","COC(=O)c1c(cccc1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O","COC(=O)c1c(cccc1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1876,3485,"2,5-DIHYDROXYBENZOIC ACID","490-79-9","O=C(O)c1c(ccc(c1)O)O","O=C(O)c1c(ccc(c1)O)O","O=C(O)c1c(ccc(c1)O)O","O=C(O)c1c(ccc(c1)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1877,4260,"1(2H)-ISOQUINOLINONE","491-30-5","O=c1c2c(cc[nH]1)cccc2","O=c1c2c(cc[nH]1)cccc2","O=c1c2c(cc[nH]1)cccc2","O=c1c2c(cc[nH]1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1878,1290,"CHRYSAROBIN","491-59-8","Cc1cc2c(c(c1)O)C(c3c(C2)cccc3O)=O","Cc1cc2c(c(c1)O)c(O)c3c(cccc3O)c2","Cc1cc2c(c(c1)O)c(O)c3c(cccc3O)c2","Cc1cc2c(c(c1)O)c(O)c3c(cccc3O)c2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1879,3056,"Leucopterin","492-11-5","Nc1[nH]c2c(c(n1)=O)[nH]c(=O)c(=O)[nH]2","Nc1[nH]c2c(c(n1)=O)[nH]c(=O)c(=O)[nH]2","Nc1[nH]c2c(c(n1)=O)[nH]c(=O)c(=O)[nH]2","Nc1[nH]c2c(c(n1)=O)[nH]c(=O)c(=O)[nH]2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1880,null,"Mersalyl","492-18-2",null,null,"COC(CNC(=O)c1c(cccc1)OCC(=O)O)C[Hg]O",null,1,0,3,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[1881,4280,"Atropic acid","492-38-6","C=C(C(=O)O)c1ccccc1","C=C(C(=O)O)c1ccccc1","C=C(C(=O)O)c1ccccc1","C=C(C(=O)O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1882,4116,"2-amino-1-phenyl-propan-1-ol","492-39-7","CC(N)C(O)c1ccccc1","CC(N)C(O)c1ccccc1",null,"CC(N)C(O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[1883,2836,"alpha-D-Glucose","492-62-6","OCC1C(C(C(C(O1)O)O)O)O","OCC1C(C(C(C(O1)O)O)O)O","OCC1C(C(C(C(O1)O)O)O)O","OCC1C(C(C(C(O1)O)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","163, 3386"]
[1884,1151,"Hydrobenzoin","492-70-6","OC(c1ccccc1)C(O)c2ccccc2","OC(c1ccccc1)C(O)c2ccccc2",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","2220"]
[1885,585,"1,3-Cyclohexanedione, 5-phenyl-","493-72-1","O=C1CC(CC(C1)=O)c2ccccc2","O=C1CC(CC(=C1)O)c2ccccc2","O=C1CC(CC(C1)=O)c2ccccc2","O=C1CC(CC(C1)=O)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1886,null,"Acridine, 3,6-bis(dimethylamino)-","494-38-2","CN(C)c1cc2c(cc1)cc3c(cc(cc3)N(C)C)n2","CN(C)c1cc2c(cc1)nc3c(c(ccc3)N(C)C)c2",null,"CN(C)c1cc2c(cc1)cc3c(cc(cc3)N(C)C)n2",2,1,1,"NO","YES",null,null,"Eliminate","-","Missing/ambiguous"]
[1887,119,"ANABASINE","494-52-0","c1cc(cnc1)C2NCCCC2","c1cc(cnc1)C2NCCCC2","c1cc(cnc1)C2NCCCC2","c1cc(cnc1)C2NCCCC2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1888,3576,"Gentisyl Alcohol","495-08-9","OCc1c(ccc(c1)O)O","OCc1c(ccc(c1)O)O","OCc1c(ccc(c1)O)O","OCc1c(ccc(c1)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1889,4318,"HIPPURIC ACID","495-69-2","O=C(O)CNC(=O)c1ccccc1","O=C(O)CNC(=O)c1ccccc1","O=C(O)CNC(=O)c1ccccc1","O=C(O)CNC(=O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1890,988,"BAYER 15080","495-73-8","O=Nc1ccc(cc1)NNC(=O)c2ccccc2","O=Nc1ccc(cc1)NNC(=O)c2ccccc2","O=C(NN=C1C=CC(C=C1)=NO)c2ccccc2","O=C(NN=C1C=CC(C=C1)=NO)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1891,987,"Salinazid","495-84-1","O=C1C(C=CC=C1)=CNNC(=O)c2ccncc2","O=C1C(C=CC=C1)=CNNC(=O)c2ccncc2","O=C(NN=Cc1c(cccc1)O)c2ccncc2","O=C(NN=Cc1c(cccc1)O)c2ccncc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1892,4004,"INDANE","496-11-7","c1cc2c(cc1)CCC2","c1cc2c(cc1)CCC2","c1cc2c(cc1)CCC2","c1cc2c(cc1)CCC2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1893,3985,"1H-Indole, 2,3-dihydro-","496-15-1","c1cc2c(cc1)NCC2","c1cc2c(cc1)NCC2","c1cc2c(cc1)NCC2","c1cc2c(cc1)NCC2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1894,2669,"2-Butenal, 2-methyl-, (E)-","497-03-0","CC=C(C)C=O","CC=C(C)C=O","CC=C(C)C=O","CC=C(C)C=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1895,2423,"1,3-Dioxolane, 2-methyl-","497-26-7","CC1OCCO1","CC1OCCO1","CC1OCCO1","CC1OCCO1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1896,3179,"NORCAMPHOR","497-38-1","O=C1C2CCC(C1)C2","O=C1C2CCC(C1)C2",null,"O=C1C2CCC(C1)C2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1897,null,"2H-Pyran-2,6-dicarboxylic acid, 3,4-dihydro-3,4-","497-58-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[1898,3377,"3-HYDROXY-4-OXO-4H-PYRAN-2,6-DICARBOXYLIC ACID","497-59-6","O=C(O)c1oc(c(c(c1)=O)O)C(=O)O","O=C(O)C=1OC(C(C(C1)=O)=O)=C(O)O","O=C(O)c1oc(c(c(c1)=O)O)C(=O)O","O=C(O)c1oc(c(c(c1)=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1899,4041,"Ethanone, 1-(4-hydroxy-3-methoxyphenyl)-","498-02-2","COc1c(ccc(c1)C(C)=O)O","COc1c(ccc(c1)C(C)=O)O","COc1c(ccc(c1)C(C)=O)O","COc1c(ccc(c1)C(C)=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1900,2524,"Norvaline","498-18-0","CCCC(N)C(=O)O","CCCC(N)C(=O)O","CCCC(N)C(=O)O",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","2675, 3767"]
[1901,2681,"METHYLSUCCINIC ACID","498-21-5","CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O","CC(CC(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"3406, 2594"]
[1902,2645,"Citraconic acid","498-23-7","CC(=CC(=O)O)C(=O)O","CC(=CC(=O)O)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem","801, 1903"]
[1903,2645,"2-Butenedioic acid, 2-methyl-, (E)-","498-24-8","CC(=CC(=O)O)C(=O)O","CC(=CC(=O)O)C(=O)O",null,"CC(=CC(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","801, 1902"]
[1904,193,"Sobrerol","498-71-5","CC=1C(CC(CC1)C(C)(C)O)O","CC=1C(CC(CC1)C(C)(C)O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[1905,3096,"1-Propene-1,2,3-tricarboxylic acid","499-12-7","O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O","O=C(O)C=C(CC(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","2253"]
[1906,165,"6-METHYL-3-ISOPROPYL-2-CYCLOHEXEN-1-ONE","499-74-1","CC(C)C=1CCC(C(C1)=O)C","CC(C)C=1CCC(C(C1)=O)C",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","3880"]
[1907,135,"Phenol, 2-methyl-5-(1-methylethyl)-","499-75-2","Cc1c(cc(cc1)C(C)C)O","Cc1c(cc(cc1)C(C)C)O","Cc1c(cc(cc1)C(C)C)O","Cc1c(cc(cc1)C(C)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"847, 3146, 3758"]
[1908,3422,"2,4-PYRIDINEDICARBOXYLIC ACID","499-80-9","O=C(O)c1cc(ncc1)C(=O)O","O=C(O)c1cc(ncc1)C(=O)O","O=C(O)c1cc(ncc1)C(=O)O","O=C(O)c1cc(ncc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1909,null,"DINICOTINIC ACID","499-81-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Organic counterion, Missing/ambiguous"]
[1910,3423,"PYRIDINE-2,6-DICARBOXYLIC ACID","499-83-2","O=C(O)c1nc(ccc1)C(=O)O","O=C(O)c1nc(ccc1)C(=O)O","O=C(O)c1nc(ccc1)C(=O)O","O=C(O)c1nc(ccc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1911,3981,"3-CHLORO-DIMETHYL PARATHION","500-28-7",null,"COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])Cl","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])Cl","COP(=S)(OC)Oc1cc(c(cc1)[N+](=O)[O-])Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1912,1352,"BETA-EUCAINE","500-34-5","CC1NC(CC(C1)OC(=O)c2ccccc2)(C)C","CC1NC(CC(C1)OC(=O)c2ccccc2)(C)C","CC1NC(CC(C1)OC(=O)c2ccccc2)(C)C","CC1NC(CC(C1)OC(=O)c2ccccc2)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1913,3921,"ACETIC ACID, OXO(PHENYLAMINO)-","500-72-1","O=C(O)C(=O)Nc1ccccc1","O=C(O)C(=O)Nc1ccccc1","O=C(O)C(=O)Nc1ccccc1","O=C(O)C(=O)Nc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1914,46,"Glycine, N-(phenylacetyl)-","500-98-1","O=C(O)CNC(=O)Cc1ccccc1","O=C(O)CNC(=O)Cc1ccccc1",null,"O=C(O)CNC(=O)Cc1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1915,4035,"BETA-PHENYLPROPIONIC ACID","501-52-0","O=C(O)CCc1ccccc1","O=C(O)CCc1ccccc1","O=C(O)CCc1ccccc1","O=C(O)CCc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1916,54,"N-benzyl-3-chloropropanamide","501-68-8","O=C(CCCl)NCc1ccccc1","O=C(CCCl)NCc1ccccc1","O=C(CCCl)NCc1ccccc1","O=C(CCCl)NCc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1917,4288,"BENZENEACETIC ACID, 4-CARBOXY-","501-89-3","O=C(O)Cc1ccc(cc1)C(=O)O","O=C(O)Cc1ccc(cc1)C(=O)O","O=C(O)Cc1ccc(cc1)C(=O)O","O=C(O)Cc1ccc(cc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1918,null,"Methylmercury Dicyandiamide","502-39-6",null,null,"C[Hg]NC(=N)NC#N","C[Hg]NC(=N)NC#N",2,0,2,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[1919,2635,"2-Butenoic acid, 4-[(aminocarbonyl)amino]-4-oxo-","502-45-4","NC(=O)NC(=O)C=CC(=O)O",null,"N=C(O)N=C(O)C=CC(=O)O","N=C(O)N=C(O)C=CC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1920,null,"2-Heptenedioic acid, 4-oxo-","502-51-2","O=C(O)C=CC(=O)CCC(=O)O",null,null,"O=C(O)C1C(OC=C1)=O",0,2,2,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[1921,2725,"BIS(ETHYLXANTHOGEN)","502-55-6","CCOC(=S)SSC(=S)OCC","CCOC(=S)SSC(=S)OCC","CCOC(=S)SSC(=S)OCC","CCOC(=S)SSC(=S)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1922,4176,"5-NONANONE","502-56-7","CCCCC(=O)CCCC","CCCCC(=O)CCCC","CCCCC(=O)CCCC","CCCCC(=O)CCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1923,2137,"TRIMETHYLENEOXIDE","503-30-0","C1COC1","C1COC1","C1COC1","C1COC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1924,4363,"METHANEDISULFONIC ACID","503-40-2","O=S(=O)(O)CS(=O)(=O)O","O=S(=O)(O)CS(=O)(=O)O","O=S(=O)(O)CS(=O)(=O)O","O=S(=O)(O)CS(=O)(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2697"]
[1925,2333,"(Z)-2-BUTENOIC ACID (ISOCROTONIC ACID)","503-64-0","CC=CC(=O)O","CC=CC(=O)O","CC=CC(=O)O","CC=CC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Differences in counterions","1060, 3420"]
[1926,2498,"ISOVALERIC ACID","503-74-2","CC(C)CC(=O)O","CC(C)CC(=O)O","CC(C)CC(=O)O","CC(C)CC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1927,2629,"4-AMINOPYRIDINE","504-24-5","Nc1ccncc1","Nc1ccncc1","Nc1ccncc1","Nc1ccncc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1928,2631,"2-AMINOPYRIDINE","504-29-0","Nc1ncccc1","Nc1ncccc1","Nc1ncccc1","Nc1ncccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1929,2427,"1,4-DITHIANE","505-29-3","C1SCCSC1","C1SCCSC1","C1SCCSC1","C1SCCSC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1930,2696,"Propane, 1-isothiocyanato-3-(methylsulfonyl)-","505-34-0","CS(=O)(=O)CCCN=C=S","CS(=O)(=O)CCCN=C=S","CS(=O)(=O)CCCN=C=S","CS(=O)(=O)CCCN=C=S",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1931,3734,"SUBERIC ACID","505-48-6","O=C(O)CCCCCCC(=O)O","O=C(O)CCCCCCC(=O)O","O=C(O)CCCCCCC(=O)O","O=C(O)CCCCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1932,1075,"Tridecanedioic acid","505-52-2","O=C(O)CCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1933,2389,"DI-2-CHLOROETHYL SULFIDE","505-60-2","ClCCSCCCl","ClCCSCCCl","ClCCSCCCl","ClCCSCCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1934,3095,"2,4-Hexadienedioic acid,","505-70-4",null,"O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","3402"]
[1935,2702,".beta.-Alanine, N-(carboxymethyl)-","505-72-6","O=C(O)CCNCC(=O)O","O=C(O)CCNCC(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[1936,null,"(R)-nona-3,4-diene-6,8-diyn-1-ol","505-97-5",null,null,"C#CC#CC=C=CCCO","C#CC#CC=C=CCCO",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[1937,4332,"CYANOGEN CHLORIDE","506-77-4","N#CCl","N#CCl","N#CCl","N#CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1938,4383,"Iodine cyanide","506-78-5","N#CI","N#CI","N#CI","N#CI",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1939,2430,"2-BROMO-2-METHYLPROPANE","507-19-7","CC(C)(C)Br","CC(C)(C)Br","CC(C)(C)Br","CC(C)(C)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1940,2434,"T-BUTYL CHLORIDE","507-20-0","CC(C)(C)Cl","CC(C)(C)Cl","CC(C)(C)Cl","CC(C)(C)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1941,191,"BORNEOL","507-70-0","CC1(C2(CCC1CC2O)C)C","CC1(C2(CCC1CC2O)C)C","CC1(C2(CCC1CC2O)C)C","CC1(C2(CCC1CC2O)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1814"]
[1942,4129,"1,2,3-Butanetricarboxylic acid, 2,3-dimethyl-","508-34-9","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O",null,"CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O","CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"3187"]
[1943,1881,"Hydrocortisone tebutate","508-96-3","CC(C)(C)CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O","CC(C)(C)CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O","CC(C)(C)CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O","CC(C)(C)CC(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)CC4)C)C(O)C2)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1944,4384,"TETRANITROMETHANE","509-14-8","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1945,1831,"PHOLCODINE","509-67-1","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5OCCN6CCOCC6)C(O)C=C3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5OCCN6CCOCC6)C(O)C=C3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5OCCN6CCOCC6)C(O)C=C3","CN1C2C3C4(CC1)C(Oc5c4c(C2)ccc5OCCN6CCOCC6)C(O)C=C3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1946,1043,"HEPTABARBITAL","509-86-4","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCCC2","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCCC2","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCCC2","CCC1(C(NC(NC1=O)=O)=O)C=2CCCCCC2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[1947,null,"2,4,6(1h,3h,5h)-pyrimidinetrione,5-ethyl-5-(1-p","509-87-5",null,"CCC1(C(NC(NC1=O)=O)=O)N2CCCCC2",null,"CCC1(C(NC(NC1=O)=O)=O)N2CCCCC2",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[1948,1402,"CHLOROBENZILATE","510-15-6","CCOC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl","CCOC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl","CCOC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl","CCOC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1949,3218,"Propanedioic acid, diethyl-","510-20-3","CCC(CC)(C(=O)O)C(=O)O","CCC(CC)(C(=O)O)C(=O)O","CCC(CC)(C(=O)O)C(=O)O","CCC(CC)(C(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1950,2770,"Butanamide, 2-bromo-2-ethyl-","511-70-6","CCC(Br)(CC)C(N)=O","CCC(Br)(CC)C(N)=O","CCC(Br)(CC)C(N)=O","CCC(Br)(CC)C(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1951,1882,"Diosgenin","512-04-9","CC1COC2(CC1)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C","CC1COC2(CC1)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C","CC1COC2(CC1)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C","CC1COC2(CC1)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1952,2203,"TRIMETHYL PHOSPHATE","512-56-1","COP(=O)(OC)OC","COP(=O)(OC)OC","COP(=O)(OC)OC","COP(=O)(OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1953,4408,"Tricyclo[2.2.1.02,6]heptane-1-carboxylic acid, 7","512-60-7",null,"CC1(C2(C3CC1CC32)C(=O)O)C",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on ChemID, Manual Check passed",""]
[1954,1588,"RAFFINOSE","512-69-6","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1955,4217,"TRIPROPYL PHOSPHATE","513-08-6","CCCOP(=O)(OCCC)OCCC","CCCOP(=O)(OCCC)OCCC","CCCOP(=O)(OCCC)OCCC","CCCOP(=O)(OCCC)OCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1956,2471,"2-METHYL-2-BUTENE","513-35-9","CC=C(C)C","CC=C(C)C","CC=C(C)C","CC=C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2177, 2178"]
[1957,2433,"ISOBUTYL CHLORIDE","513-36-0","CC(C)CCl","CC(C)CCl","CC(C)CCl","CC(C)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1958,2359,"1-CHLORO-2-METHYLPROPENE","513-37-1","CC(C)=CCl","CC(C)=CCl","CC(C)=CCl","CC(C)=CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2179"]
[1959,2410,"Methallyl alcohol","513-42-8","C=C(C)CO","C=C(C)CO","C=C(C)CO","C=C(C)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"450"]
[1960,2438,"2-IODOBUTANE","513-48-4","CCC(C)I","CCC(C)I","CCC(C)I","CCC(C)I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1961,2248,"2-BUTANETHIOL","513-53-1","CCC(C)S","CCC(C)S","CCC(C)S","CCC(C)S",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1962,2710,"2,3-DIMETHYL-1,3-BUTADIENE","513-81-5","C=C(C)C(=C)C","C=C(C)C(=C)C","C=C(C)C(=C)C","C=C(C)C(=C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1963,2233,"2,3-BUTANEDIOL","513-85-9","CC(O)C(C)O","CC(O)C(C)O","CC(O)C(C)O","CC(O)C(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","3590"]
[1964,2418,"ACETOIN","513-86-0","CC(=O)C(C)O","CC(=O)C(C)O","CC(=O)C(C)O","CC(=O)C(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1965,1718,"Abietic acid","514-10-3","CC(C)C=1CCC2C(C1)=CCC3C2(CCCC3(C)C(=O)O)C","CC(C)C=1CCC2C(C1)=CCC3C2(CCCC3(C)C(=O)O)C","CC(C)C=1CCC2C(C1)=CCC3C2(CCCC3(C)C(=O)O)C","CC(C)C=1CCC2C(C1)=CCC3C2(CCCC3(C)C(=O)O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1966,1663,"3,11-Dihydroxy-androstan-17-one","514-17-0","CC12C(C3C(C(C1)O)C4(C(CC3)CC(O)CC4)C)CCC2=O","CC12C(C3C(C(C1)O)C4(C(CC3)CC(O)CC4)C)CCC2=O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[1967,4701,"benzeneaceticacid,.alpha.-hydroxy-.alpha.-meth","515-30-0",null,"CC(O)(C(=O)O)c1ccccc1",null,"CC(O)(C(=O)O)c1ccccc1",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[1968,3659,"ETHYL BENZENESULFONATE","515-46-8","CCOS(=O)(=O)c1ccccc1","CCOS(=O)(=O)c1ccccc1","CCOS(=O)(=O)c1ccccc1","CCOS(=O)(=O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1969,3599,"Sulfathiourea","515-49-1","NC(=S)NS(=O)(=O)c1ccc(cc1)N","NC(=S)NS(=O)(=O)c1ccc(cc1)N","NC(=S)NS(=O)(=O)c1ccc(cc1)N","NC(=S)NS(=O)(=O)c1ccc(cc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2855"]
[1970,33,"Sulfamethylthiazole","515-59-3","Cc1nc(sc1)NS(=O)(=O)c2ccc(cc2)N","Cc1nc(sc1)NS(=O)(=O)c2ccc(cc2)N","Cc1nc(sc1)NS(=O)(=O)c2ccc(cc2)N","Cc1nc(sc1)NS(=O)(=O)c2ccc(cc2)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1971,614,"SULFISOMIDINE","515-64-0","Cc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C","Cc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C","Cc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C","Cc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1972,2345,"METHYL MALONIC ACID","516-05-2","CC(C(=O)O)C(=O)O","CC(C(=O)O)C(=O)O",null,"CC(C(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1973,2527,"DL-Valine","516-06-3","CC(C)C(N)C(=O)O","CC(C)C(N)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","291"]
[1974,1552,"Equilenin","517-09-9","CC12C(c3c(CC1)c4c(cc3)cc(O)cc4)CCC2=O","CC12C(c3c(CC1)c4c(cc3)cc(O)cc4)CCC2=O","CC12C(c3c(CC1)c4c(cc3)cc(O)cc4)CCC2=O","CC12C(c3c(CC1)c4c(cc3)cc(O)cc4)CCC2=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1975,3141,"3-acetyl-4,5-dihydro-2(3H)-furanone","517-23-7","CC(=O)C1C(OCC1)=O","CC(=O)C1C(OCC1)=O","CC(=O)C1C(OCC1)=O","CC(=O)C1C(OCC1)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1976,null,"2,3-Pyridinedicarboxylic acid, 4-methyl-","517-40-8","Cc1c(c(ncc1)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[1977,1783,"beta-Peltatin","518-29-6","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)OC","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)OC","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)OC","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1978,1676,"FLUORESCEIN","518-45-6","O=C1c2c(C3(O1)c4c(Oc5c3ccc(O)c5)cc(O)cc4)cccc2","O=C1c2c(C3(O1)c4c(Oc5c3ccc(O)c5)cc(O)cc4)cccc2","O=C1c2c(C3(O1)c4c(Oc5c3ccc(O)c5)cc(O)cc4)cccc2",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[1979,21,"6-Formyl-2,3-dimethoxybenzoic acid","519-05-1","COc1c(c(c(cc1)C=O)C(=O)O)OC","COc1c(c(c(cc1)C=O)C(=O)O)OC",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[1980,979,"Maclurin","519-34-6","O=C(c1cc(c(cc1)O)O)c2c(cc(cc2O)O)O","O=C(c1cc(c(cc1)O)O)c2c(cc(cc2O)O)O","O=C(c1cc(c(cc1)O)O)c2c(cc(cc2O)O)O","O=C(c1cc(c(cc1)O)O)c2c(cc(cc2O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1981,1036,"Dioxypyramidon","519-65-3","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1","CC(=O)N(C)N(C(=O)C(=O)N(C)C)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1982,1662,"ANDROSTAN-3-ONE, 17-HYDROXY-, (5ALPHA,17BETA)-","521-18-6","CC12C(C3C(CC1)C4(C(CC3)CC(=O)CC4)C)CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC(=O)CC4)C)CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC(=O)CC4)C)CCC2O","CC12C(C3C(CC1)C4(C(CC3)CC(=O)CC4)C)CCC2O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","71, 1852"]
[1983,4224,"8-Quinolinol, 5,7-dibromo-","521-74-4","Oc1c2c(c(cc1Br)Br)cccn2","Oc1c2c(c(cc1Br)Br)cccn2","Oc1c2c(c(cc1Br)Br)cccn2","Oc1c2c(c(cc1Br)Br)cccn2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1984,1708,"HYDROQUININE","522-66-7","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4","CCC1C2CCN(C1)C(C2)C(O)c3c4c(ncc3)ccc(OC)c4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[1985,3695,"PYRIDOXAMINE","524-36-7","Cc1c(c(c(cn1)CO)CN)O","Cc1c(c(c(cn1)CO)CN)O","Cc1c(c(c(cn1)CO)CN)O","Cc1c(c(c(cn1)CO)CN)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[1986,3938,"RICIDINE","524-40-3","COc1c(c(n(cc1)C)=O)C#N","COc1c(c(n(cc1)C)=O)C#N","COc1c(c(n(cc1)C)=O)C#N","COc1c(c(n(cc1)C)=O)C#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1987,321,"1,6-Naphthalenedisulfonic acid","525-37-1","O=S(=O)(O)c1cc2c(cc1)c(S(=O)(=O)O)ccc2","O=S(=O)(O)c1cc2c(cc1)c(S(=O)(=O)O)ccc2","O=S(=O)(O)c1cc2c(cc1)c(S(=O)(=O)O)ccc2","O=S(=O)(O)c1cc2c(cc1)c(S(=O)(=O)O)ccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1988,1438,"PROPRANOLOL","525-66-6","CC(C)NCC(O)COc1c2c(ccc1)cccc2","CC(C)NCC(O)COc1c2c(ccc1)cccc2","CC(C)NCC(O)COc1c2c(ccc1)cccc2","CC(C)NCC(O)COc1c2c(ccc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1989,1301,"SULFAPHENAZOLE","526-08-9","Nc1ccc(cc1)S(=O)(=O)Nc2n(ncc2)-c3ccccc3","Nc1ccc(cc1)S(=O)(=O)Nc2n(ncc2)-c3ccccc3","Nc1ccc(cc1)S(=O)(=O)Nc2n(ncc2)-c3ccccc3","Nc1ccc(cc1)S(=O)(=O)Nc2n(ncc2)-c3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1990,31,"TRYPTAZAN","526-30-7","NC(Cc1c2c(n[nH]1)cccc2)C(=O)O","NC(Cc1c2c(n[nH]1)cccc2)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[1991,4085,"1,2,3-TRIMETHYLBENZENE","526-73-8","Cc1c(c(ccc1)C)C","Cc1c(c(ccc1)C)C","Cc1c(c(ccc1)C)C","Cc1c(c(ccc1)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1992,3645,"2,3-DIMETHYLPHENOL","526-75-0","Cc1c(c(ccc1)O)C","Cc1c(c(ccc1)O)C","Cc1c(c(ccc1)O)C","Cc1c(c(ccc1)O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[1993,2353,"Butanedioic acid, 2,3-dihydroxy-","526-83-0","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(=O)O",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","597, 1513, 1609, 1610, 1713"]
[1994,2838,"D-GLUCONIC ACID","526-95-4","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Differences in counterions","1998, 1999"]
[1995,2745,"Galactaric acid","526-99-8","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","5614"]
[1996,null,"Allaric acid","527-00-4","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[1997,3331,"(+)-Perseitol","527-06-0",null,"OCC(O)C(O)C(O)C(O)C(O)CO",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed","1868, 2810, 3371"]
[1998,2838,"Sodium Gluconate","527-07-1","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1994, 1999"]
[1999,2838,"Cupric Gluconate","527-09-3","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO","O=C(O)C(O)C(O)C(O)C(O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Organometallic, Organic counterion","1994, 1998"]
[2000,4101,"2,4,6-TRIMETHYLPHENOL","527-60-6","Cc1cc(c(c(c1)C)O)C","Cc1cc(c(c(c1)C)O)C","Cc1cc(c(c(c1)C)O)C","Cc1cc(c(c(c1)C)O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2001,2610,"THIOPHENE-2-CARBOXYLIC ACID","527-72-0","O=C(O)c1sccc1","O=C(O)c1sccc1","O=C(O)c1sccc1","O=C(O)c1sccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2003,1242,"Ethanedione, bis(2-hydroxy-5-nitrophenyl)-","528-10-9","O=C(C(=O)c1c(ccc(c1)[N+](=O)[O-])O)c2c(ccc(c2)[N+](=O)[O-])O",null,"O=C(C(=O)c1c(ccc(c1)[N+](=O)[O-])O)c2c(ccc(c2)[N+](=O)[O-])O","O=C(C(=O)c1c(ccc(c1)[N+](=O)[O-])O)c2c(ccc(c2)[N+](=O)[O-])O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2004,3973,"Ethanone, 1-(2,3,4-trihydroxyphenyl)-","528-21-2","CC(=O)c1c(c(c(cc1)O)O)O","CC(=O)c1c(c(c(cc1)O)O)O","CC(=O)c1c(c(c(cc1)O)O)O","CC(=O)c1c(c(c(cc1)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2007,3373,"3,4-DINITROBENZOIC ACID","528-45-0","O=C(O)c1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2008,4237,"PHTHALONIC ACID","528-46-1","O=C(O)C(=O)c1c(cccc1)C(=O)O","O=C(O)C(=O)c1c(cccc1)C(=O)O","O=C(O)C(=O)c1c(cccc1)C(=O)O","O=C(O)C(=O)c1c(cccc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2010,4145,"N-(aminocarbonyl)-2-(1-methylethyl)4-pentenamide","528-92-7","C=CCC(C(=O)NC(N)=O)C(C)C","C=CCC(C(=O)NC(N)=O)C(C)C",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[2011,4258,"4(1H)-QUINOLINONE","529-37-3","O=c1c2c([nH]cc1)cccc2","O=c1c2c([nH]cc1)cccc2","O=c1c2c([nH]cc1)cccc2",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"2413"]
[2013,1102,"Anthranol","529-86-2","Oc1c2c(cc3c1cccc3)cccc2","Oc1c2c(cc3c1cccc3)cccc2","Oc1c2c(cc3c1cccc3)cccc2","Oc1c2c(cc3c1cccc3)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2014,1193,"Picein","530-14-3","CC(=O)c1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O","CC(=O)c1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[2016,1101,"FLUFENAMIC ACID","530-78-9","O=C(O)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F","O=C(O)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F","O=C(O)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F","O=C(O)c1c(cccc1)Nc2cc(ccc2)C(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2017,3202,"1,2-Cycloheptanedione, dioxime","530-97-2","ON=C1C(CCCCC1)=NO","O=NC=1CCCCCC1NO","ON=C1C(CCCCC1)=NO","ON=C1C(CCCCC1)=NO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2020,4447,"1,2-propanediol,3-(2-methoxyphenoxy)-,1-carbam","532-03-6",null,"COc1c(cccc1)OCC(O)COC(N)=O",null,"COc1c(cccc1)OCC(O)COC(N)=O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[2021,3477,"BENZOIC ACID, SODIUM SALT","532-32-1","O=C(O)c1ccccc1","O=C(O)c1ccccc1","O=C(O)c1ccccc1","O=C(O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"239, 2818"]
[2023,null,"2-CHLOROACETANILIDE","533-17-5","O=C(CCl)Nc1ccccc1","CC(=O)Nc1c(cccc1)Cl","O=C(CCl)Nc1ccccc1","CC(=O)Nc1c(cccc1)Cl",2,2,0,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[2024,6,"2,4-D, ETHYL ESTER","533-23-3","CCOC(=O)COc1c(cc(cc1)Cl)Cl","CCOC(=O)COc1c(cc(cc1)Cl)Cl",null,"CCOC(=O)COc1c(cc(cc1)Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2026,4187,"isovaleryldiethylamide","533-32-4","CCNCCC(=O)CC(C)C","CCN(CC)C(=O)CC(C)C","CCN(CC)C(=O)CC(C)C","CCN(CC)C(=O)CC(C)C",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[2027,2480,"DMTT (DAZOMET)","533-74-4",null,"CN1CN(C(SC1)=S)C","CN1CN(C(SC1)=S)C","CN1CN(C(SC1)=S)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2029,null,"N,N-DIMETHYLTHIOUREA","534-13-4","CN(C)C(N)=S","CNC(=S)NC","CN(C)C(N)=S","CNC(=S)NC",2,2,0,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[2030,2235,"1,1-DIMETHOXYETHANE","534-15-6","COC(C)OC","COC(C)OC","COC(C)OC","COC(C)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2033,3214,"BUTYL MALONIC ACID","534-59-8","CCCCC(C(=O)O)C(=O)O","CCCCC(C(=O)O)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[2034,649,"Glybuthiazole","535-65-9","CC(C)(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","CC(C)(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","CC(C)(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N","CC(C)(C)c1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2036,3395,"M-CHLOROBENZOIC ACID","535-80-8","O=C(O)c1cc(ccc1)Cl","O=C(O)c1cc(ccc1)Cl","O=C(O)c1cc(ccc1)Cl","O=C(O)c1cc(ccc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2037,3554,"Benzoic acid, 3,5-diamino-","535-87-5","Nc1cc(cc(c1)N)C(=O)O","Nc1cc(cc(c1)N)C(=O)O","Nc1cc(cc(c1)N)C(=O)O","Nc1cc(cc(c1)N)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[2039,1110,"Digallic acid","536-08-3","O=C(O)c1cc(c(c(c1)O)O)OC(=O)c2cc(c(c(c2)O)O)O","O=C(O)c1cc(c(c(c1)O)O)OC(=O)c2cc(c(c(c2)O)O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[2040,74,"CUMIC ACID","536-66-3","CC(C)c1ccc(cc1)C(=O)O","CC(C)c1ccc(cc1)C(=O)O","CC(C)c1ccc(cc1)C(=O)O","CC(C)c1ccc(cc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2043,3583,"3-ETHYLPYRIDINE","536-78-7","CCc1cnccc1","CCc1cnccc1","CCc1cnccc1","CCc1cnccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2044,3048,"Benzene, iodosyl-","536-80-1","O=Ic1ccccc1","O=Ic1ccccc1","O=Ic1ccccc1","O=Ic1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2046,2929,"2,6-DIBROMOQUINONECHLOROIMIDE","537-45-1","O=C1C(=CC(C=C1Br)=NCl)Br","O=C1C(=CC(C=C1Br)=NCl)Br",null,"O=C1C(=CC(C=C1Br)=NCl)Br",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2047,3598,"HYDRAZINECARBOXAMIDE, N-PHENYL-","537-47-3","NNC(=O)Nc1ccccc1","NNC(=O)Nc1ccccc1","NNC(=O)Nc1ccccc1","NNC(=O)Nc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2049,4064,"3-METHYLACETANILIDE","537-92-8","CC(=O)Nc1cc(ccc1)C","CC(=O)Nc1cc(ccc1)C","CC(=O)Nc1cc(ccc1)C","CC(=O)Nc1cc(ccc1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2050,2841,"BIS(2-CHLOROETHYL)ETHYLAMINE","538-07-8","CCN(CCCl)CCCl","CCN(CCCl)CCCl","CCN(CCCl)CCCl","CCN(CCCl)CCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2052,1031,"BUTYL CINNAMATE","538-65-8","CCCCOC(=O)C=Cc1ccccc1","CCCCOC(=O)C=Cc1ccccc1","CCCCOC(=O)C=Cc1ccccc1","CCCCOC(=O)C=Cc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[2053,441,"PENTYLBENZENE","538-68-1","CCCCCc1ccccc1","CCCCCc1ccccc1","CCCCCc1ccccc1","CCCCCc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2056,3935,"P-CHLOROACETANILIDE","539-03-7","CC(=O)Nc1ccc(cc1)Cl","CC(=O)Nc1ccc(cc1)Cl","CC(=O)Nc1ccc(cc1)Cl","CC(=O)Nc1ccc(cc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2057,145,"Hordenine","539-15-1","CN(C)CCc1ccc(cc1)O","CN(C)CCc1ccc(cc1)O","CN(C)CCc1ccc(cc1)O","CN(C)CCc1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[2059,3483,"2-PROPENOIC ACID, 3-(2-FURANYL)-","539-47-9","O=C(O)C=Cc1occc1","O=C(O)C=Cc1occc1","O=C(O)C=Cc1occc1","O=C(O)C=Cc1occc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[2060,3266,"ETHYL VALERATE","539-82-2","CCCCC(=O)OCC","CCCCC(=O)OCC","CCCCC(=O)OCC","CCCCC(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2062,3292,"Isobutyl urethane","539-89-9","CCOC(=O)NCC(C)C","CCOC(=O)NCC(C)C","CCOC(=O)NCC(C)C","CCOC(=O)NCC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2063,4181,"PENTYL BUTYRATE","540-18-1","CCCCCOC(=O)CCC","CCCCCOC(=O)CCC","CCCCCOC(=O)CCC","CCCCCOC(=O)CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2065,3269,"2-METHYLPROPYL PROPANOATE","540-42-1","CCC(=O)OCC(C)C","CCC(=O)OCC(C)C","CCC(=O)OCC(C)C","CCC(=O)OCC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2066,2413,"Cyclopropane, methoxy-","540-47-6","COC1CC1","COC1CC1","COC1CC1","COC1CC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2069,2155,"1-CHLOROPROPANE","540-54-5","CCCCl","CCCCl","CCCCl","CCCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2070,1907,"1,2-DICHLOROETHYLENE","540-59-0","ClC=CCl","ClC=CCl","ClC=CCl","ClC=CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1638, 1639"]
[2072,2013,"1,2-DIMETHYLHYDRAZINE","540-73-8","CNNC","CNNC","CNNC","CNNC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2073,3797,"2,2,4-TRIMETHYLPENTANE","540-84-1","CC(C)CC(C)(C)C","CC(C)CC(C)(C)C","CC(C)CC(C)(C)C","CC(C)CC(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2075,null,"DODECAMETHYLCYCLOHEXASILOXANE","540-97-6","C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C","C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C","C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C","C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C",4,0,0,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[2076,null,"DECAMETHYLCYCLOPENTASILOXANE","541-02-6","C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C","C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C","C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C","C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C",4,0,0,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[2078,null,"DICHLORO(2-CHLOROVINYL)ARSINE (TRANS)","541-25-3",null,"ClC=C[As](Cl)Cl","ClC=C[As](Cl)Cl","ClC=C[As](Cl)Cl",3,0,1,"NO","NO",null,null,"Eliminate","-","Stereochemistry removed, Unusual elements"]
[2079,2382,"1,1-DICHLOROBUTANE","541-33-3","CCCC(Cl)Cl","CCCC(Cl)Cl","CCCC(Cl)Cl","CCCC(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2082,2450,"Butanoic acid, 3-amino-","541-48-0","CC(N)CC(=O)O","CC(N)CC(=O)O","CC(N)CC(=O)O","CC(N)CC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2083,2342,"ACETOACETIC ACID","541-50-4","CC(=O)CC(=O)O","CC(=O)CC(=O)O","CC(=O)CC(=O)O","CC(=O)CC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2085,2985,"3-DICHLOROBENZENE","541-73-1",null,"Clc1cc(ccc1)Cl","Clc1cc(ccc1)Cl","Clc1cc(ccc1)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2086,null,"2-Butenoic acid, 4-[(1-carboxyethyl)amino]-4-oxo","541-89-9",null,null,"CC(N=C(O)C=CC(=O)O)C(=O)O","CC(N=C(O)C=CC(=O)O)C(=O)O",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[2088,3091,"2H-Pyran-2,4(3H)-dione, 6-methyl-","541-98-0","CC=1OC(CC(C1)=O)=O","CC=1OC(CC(C1)=O)=O","CC=1OC(CC(C1)=O)=O","CC=1OC(CC(C1)=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2089,2749,"CHLOROCYCLOHEXANE","542-18-7","ClC1CCCCC1","ClC1CCCCC1","ClC1CCCCC1","ClC1CCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2091,2501,"ISOBUTYL FORMATE","542-55-2","CC(C)COC=O","CC(C)COC=O","CC(C)COC=O","CC(C)COC=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2092,2437,"N-BUTYL IODIDE","542-69-8","CCCCI","CCCCI","CCCCI","CCCCI",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"4386"]
[2095,2625,"CYCLOPENTADIENE","542-92-7","C=1C=CCC1","C=1C=CCC1","C=1C=CCC1","C=1C=CCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2096,4609,"ethanesulfonicacid,2-[(aminoiminomethyl)amino]","543-18-0",null,"NC(N)=NCCS(=O)(=O)O",null,"NC(N)=NCCS(=O)(=O)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[2098,2530,"Carbamic acid, 2-methylpropyl ester","543-28-2","CC(C)COC(N)=O","CC(C)COC(N)=O","CC(C)COC(N)=O","CC(C)COC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2099,2460,"ISOBUTYL NITRATE","543-29-3","CC(C)CO[N+](=O)[O-]","CC(C)CO[N+](=O)[O-]","CC(C)CO[N+](=O)[O-]","CC(C)CO[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2101,2513,"1-CHLOROPENTANE","543-59-9","CCCCCCl","CCCCCCl","CCCCCCl","CCCCCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2102,null,"Barium Acetate","543-80-6","[Ba+2]","[Ba+2]","[Ba+2]","[Ba+2]",4,0,0,"NO","NO",null,null,"Eliminate","-","Organic counterion, Unusual elements, Inorganic"]
[2105,null,"Strontium Acetate","543-94-2","[Sr+2]","[Sr+2]",null,"[Sr+2]",3,0,1,"NO","NO",null,null,"Eliminate","-","Unusual elements, Inorganic"]
[2106,237,"DIISOPENTYL ETHER","544-01-4","CC(C)CCOCCC(C)C","CC(C)CCOCCC(C)C","CC(C)CCOCCC(C)C","CC(C)CCOCCC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2108,2628,"PENTANEDINITRILE","544-13-8","N#CCCCC#N","N#CCCCC#N","N#CCCCC#N","N#CCCCC#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2109,3550,"CYCLOHEPTATRIENE","544-25-2","C=1C=CCC=CC1","C=1C=CCC=CC1","C=1C=CCC=CC1","C=1C=CCC=CC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2111,1457,"N-HEXADECANE","544-76-3","CCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2112,3600,"Sulfanilylurea","547-44-4","NC(=O)NS(=O)(=O)c1ccc(cc1)N","NC(=O)NS(=O)(=O)c1ccc(cc1)N",null,"NC(=O)NS(=O)(=O)c1ccc(cc1)N",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2114,2426,"2-HYDROXYPROPANOIC ACID, METHYL ESTER","547-64-8","COC(=O)C(C)O","COC(=O)C(C)O","COC(=O)C(C)O","COC(=O)C(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2115,2642,"alpha-METHYLENE BUTYROLACTONE","547-65-9","C=C1C(OCC1)=O","C=C1C(OCC1)=O","C=C1C(OCC1)=O","C=C1C(OCC1)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2118,null,"Cyclopenta[c]pyran-4-carboxylic acid, 1-( -D-glu","548-37-8",null,"COC(=O)C=1C2C(C(OC1)OC3C(C(C(C(O3)CO)O)O)O)C(C)CC2=O",null,null,1,0,3,"NO","NO",1,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[2119,422,"o-Thymotic acid","548-51-6","Cc1c(c(c(cc1)C(C)C)O)C(=O)O","Cc1c(c(c(cc1)C(C)C)O)C(=O)O","Cc1c(c(c(cc1)C(C)C)O)C(=O)O","Cc1c(c(c(cc1)C(C)C)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2121,null,"Furfurin","550-23-2","NC(=O)NN=Cc1oc(cc1)[N+](=O)[O-]","c1cc(oc1)C=2NC(C(N2)c3occc3)c4occc4",null,null,0,2,2,"YES","NO",null,null,"Eliminate","-","Stereochemistry removed, Missing/ambiguous"]
[2122,4114,"Amisometradine","550-28-7","C=C(C)Cn1c(n(c(cc1N)=O)C)=O","C=C(C)Cn1c(n(c(cc1N)=O)C)=O",null,"C=C(C)Cn1c(n(c(cc1N)=O)C)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2124,299,"1-Nitro-2-naphthol","550-60-7","O=[N+]([O-])c1c2c(ccc1O)cccc2","O=[N+]([O-])c1c2c(ccc1O)cccc2","O=[N+]([O-])c1c2c(ccc1O)cccc2","O=[N+]([O-])c1c2c(ccc1O)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2125,308,"Picrolonic acid","550-74-3","CC=1C(C(N(N1)c2ccc(cc2)[N+](=O)[O-])=O)[N+](=O)[O-]","CC=1C(C(N(N1)c2ccc(cc2)[N+](=O)[O-])=O)[N+](=O)[O-]",null,"CC=1C(C(N(N1)c2ccc(cc2)[N+](=O)[O-])=O)[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2127,608,"1,2-Ethanediamine, N-1-naphthalenyl-","551-09-7","NCCNc1c2c(ccc1)cccc2","NCCNc1c2c(ccc1)cccc2","NCCNc1c2c(ccc1)cccc2","NCCNc1c2c(ccc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[2128,3392,"2,4,6-TRICHLORO-3-METHYLPHENOL","551-76-8","Cc1c(c(c(cc1Cl)Cl)O)Cl","Cc1c(c(c(cc1Cl)Cl)O)Cl","Cc1c(c(c(cc1Cl)Cl)O)Cl","Cc1c(c(c(cc1Cl)Cl)O)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2131,1292,"ERIODICTYOL","552-58-9","O=C1c2c(OC(C1)c3cc(c(cc3)O)O)cc(O)cc2O","O=C1c2c(OC(C1)c3cc(c(cc3)O)O)cc(O)cc2O","O=C1c2c(OC(C1)c3cc(c(cc3)O)O)cc(O)cc2O","O=C1c2c(OC(C1)c3cc(c(cc3)O)O)cc(O)cc2O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[2132,4046,"BENZENEACETIC ACID, .alpha.-(HYDROXYMETHYL)-,","552-63-6",null,"O=C(O)C(CO)c1ccccc1","O=C(O)C(CO)c1ccccc1","O=C(O)C(CO)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"2012"]
[2134,3417,"O-NITROBENZALDEHYDE","552-89-6","O=Cc1c(cccc1)[N+](=O)[O-]","O=Cc1c(cccc1)[N+](=O)[O-]","O=Cc1c(cccc1)[N+](=O)[O-]","O=Cc1c(cccc1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2135,305,"4,4'-DIPYRIDYL","553-26-4","c1nccc(c1)-c2ccncc2","c1nccc(c1)-c2ccncc2","c1nccc(c1)-c2ccncc2","c1nccc(c1)-c2ccncc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2137,4093,"5-Nitro-2-propoxyaniline","553-79-7","CCCOc1c(cc(cc1)[N+](=O)[O-])N","CCCOc1c(cc(cc1)[N+](=O)[O-])N","CCCOc1c(cc(cc1)[N+](=O)[O-])N","CCCOc1c(cc(cc1)[N+](=O)[O-])N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2138,2346,"methyloxalate","553-90-2","COC(=O)C(=O)O","COC(=O)C(=O)OC","COC(=O)C(=O)OC","COC(=O)C(=O)OC",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[2140,2648,"5-Methylcytosine","554-01-8","Cc1c(nc([nH]c1)=O)N","Cc1c([nH]c(nc1)=O)N","Cc1c([nH]c(nc1)=O)N","Cc1c([nH]c(nc1)=O)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2141,2419,"METHYL PROPIONATE","554-12-1","CCC(=O)OC","CCC(=O)OC","CCC(=O)OC","CCC(=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2144,4239,"1,3,5-BENZENETRICARBOXYLIC ACID","554-95-0","O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O","O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O","O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O","O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2145,3534,"M-NITROANISOLE","555-03-3","COc1cc(ccc1)[N+](=O)[O-]","COc1cc(ccc1)[N+](=O)[O-]","COc1cc(ccc1)[N+](=O)[O-]","COc1cc(ccc1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2147,104,"methyldopa","555-30-6","COC(=O)C(N)Cc1cc(c(cc1)O)O","CC(N)(Cc1cc(c(cc1)O)O)C(=O)O","CC(N)(Cc1cc(c(cc1)O)O)C(=O)O","CC(N)(Cc1cc(c(cc1)O)O)C(=O)O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Name verified in PubChem",""]
[2148,635,"NEBURON","555-37-3","CCCCN(C)C(=O)Nc1cc(c(cc1)Cl)Cl","CCCCN(C)C(=O)Nc1cc(c(cc1)Cl)Cl","CCCCN(C)C(=O)Nc1cc(c(cc1)Cl)Cl","CCCCN(C)C(=O)Nc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2150,2774,"TRIS(BETA-CHLOROETHYL)AMINE","555-77-1","ClCCN(CCCl)CCCl","ClCCN(CCCl)CCCl","ClCCN(CCCl)CCCl","ClCCN(CCCl)CCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[2151,3945,"Nifuradene","555-84-0","O=C1N(CCN1)N=Cc2oc(cc2)[N+](=O)[O-]","O=C1N(CCN1)N=Cc2oc(cc2)[N+](=O)[O-]","O=C1N(CCN1)N=Cc2oc(cc2)[N+](=O)[O-]","O=C1N(CCN1)N=Cc2oc(cc2)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[2153,4072,"D-Tyrosine","556-02-5","NC(Cc1ccc(cc1)O)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","183, 2154"]
[2154,4072,"DL-TYROSINE","556-03-6","NC(Cc1ccc(cc1)O)C(=O)O","NC(Cc1ccc(cc1)O)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","183, 2153"]
[2157,4612,"gycylglycine","556-50-3",null,"NCC(=O)NCC(=O)O",null,"NCC(=O)NCC(=O)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[2158,2146,"OXIRANEMETHANOL","556-52-5","OCC1OC1","OCC1OC1","OCC1OC1","OCC1OC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2160,null,"OCTAMETHYLTETRASILOXANE","556-67-2","C[SiH2]O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)C",null,"C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)C",2,1,1,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[2161,4360,"NITROGUANIDINE","556-88-7","N=C(N)N[N+](=O)[O-]","NC(N)=N[N+](=O)[O-]","N=C(N)N[N+](=O)[O-]","N=C(N)N[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2163,2226,"METHYL PROPYL ETHER","557-17-5","CCCOC","CCCOC","CCCOC","CCCOC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2164,3282,"1-MONOBUTYRIN","557-25-5","CCCC(=O)OCC(O)CO","CCCC(=O)OCC(O)CO","CCCC(=O)OCC(O)CO","CCCC(=O)OCC(O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2166,null,"Zinc Acetate","557-34-6","[Zn+2]","[Zn+2]","[Zn+2]","[Zn+2]",4,0,0,"NO","NO",null,null,"Eliminate","-","Organic counterion, Unusual elements, Inorganic"]
[2167,2717,"ALLYL ETHER","557-40-4","C=CCOCC=C","C=CCOCC=C","C=CCOCC=C","C=CCOCC=C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2170,4350,"FLUOROMETHYL SULFONE","558-25-8","CS(=O)(=O)F","CS(=O)(=O)F","CS(=O)(=O)F","CS(=O)(=O)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2171,2411,"2,2-DIMETHYLOXIRANE","558-30-5","CC1(OC1)C","CC1(OC1)C","CC1(OC1)C","CC1(OC1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2173,4326,"METHANE, BROMOTRINITRO-","560-95-2","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Br)([N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2174,1745,"HEROIN","561-27-3","CC(=O)Oc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)OC(C)=O","CC(=O)Oc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)OC(C)=O","CC(=O)Oc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)OC(C)=O","CC(=O)Oc1c2c3c(cc1)CC4C5C=CC(C(O2)C35CCN4C)OC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[2176,4221,"ETHION","563-12-2","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC","CCOP(=S)(OCC)SCSP(=S)(OCC)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2177,2471,"3-METHYL-1-BUTENE","563-45-1","C=CC(C)C","C=CC(C)C","C=CC(C)C","C=CC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1956, 2178"]
[2180,2061,"1,2-DICHLOROPROPENE","563-54-2","CC(Cl)=CCl","CC(Cl)=CCl","CC(Cl)=CCl",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","454"]
[2181,2486,"3-METHYL-2-BUTANONE","563-80-4","CC(=O)C(C)C","CC(=O)C(C)C","CC(=O)C(C)C","CC(=O)C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2183,2336,"1,2:3,4-DIEPOXYBUTANE","564-00-1","C1C(O1)C2OC2","C1C(O1)C2OC2","C1C(O1)C2OC2",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","1692, 2911, 4497, 4505"]
[2184,3796,"2,2,3-TRIMETHYLPENTANE","564-02-3","CCC(C)C(C)(C)C","CCC(C)C(C)(C)C","CCC(C)C(C)(C)C","CCC(C)C(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2186,null,"Benzeneacetic acid, .alpha.-amino-.alpha.-methyl","565-07-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[2187,1147,"Acetamide, N-[4-[(4-aminophenyl)sulfonyl]phenyl]","565-20-8","CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N","CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2189,3302,"2,3-DIMETHYLPENTANE","565-59-3","CCC(C)C(C)C","CCC(C)C(C)C","CCC(C)C(C)C","CCC(C)C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2190,2879,"3-METHYL-2-PENTANOL","565-60-6","CCC(C)C(C)O","CCC(C)C(C)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[2193,2802,"2-METHYL-3-PENTANONE","565-69-5","CCC(=O)C(C)C","CCC(=O)C(C)C","CCC(=O)C(C)C","CCC(=O)C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"3540"]
[2194,2177,"Propanoic acid, 3-amino-2-hydroxy-","565-71-9","NCC(O)C(=O)O","NCC(O)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","2579"]
[2196,3795,"2,3,4-TRIMETHYLPENTANE","565-75-3","CC(C)C(C)C(C)C","CC(C)C(C)C(C)C","CC(C)C(C)C(C)C","CC(C)C(C)C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2197,3259,"2,4-DIMETHYL-3-PENTANONE","565-80-0","CC(C)C(=O)C(C)C","CC(C)C(=O)C(C)C","CC(C)C(=O)C(C)C","CC(C)C(=O)C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2199,1734,"alpha-Peltatin","568-53-6","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)O","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)O","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)O","COc1c(c(cc(c1)C2C3C(Cc4c2cc5OCOc5c4O)COC3=O)OC)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[2200,17,"Meconin","569-31-3","COc1c(c2c(cc1)COC2=O)OC","COc1c(c2c(cc1)COC2=O)OC","COc1c(c2c(cc1)COC2=O)OC","COc1c(c2c(cc1)COC2=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2202,2595,"1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID","570-22-9","O=C(O)c1c([nH]cn1)C(=O)O","O=C(O)c1c([nH]cn1)C(=O)O","O=C(O)c1c([nH]cn1)C(=O)O","O=C(O)c1c([nH]cn1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2203,574,"1,4-DIMETHYLNAPHTHALENE","571-58-4","Cc1c2c(c(cc1)C)cccc2","Cc1c2c(c(cc1)C)cccc2","Cc1c2c(c(cc1)C)cccc2","Cc1c2c(c(cc1)C)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2206,3024,"2,6-DINITROPHENOL","573-56-8","O=[N+]([O-])c1c(c(ccc1)[N+](=O)[O-])O","O=[N+]([O-])c1c(c(ccc1)[N+](=O)[O-])O","O=[N+]([O-])c1c(c(ccc1)[N+](=O)[O-])O","O=[N+]([O-])c1c(c(ccc1)[N+](=O)[O-])O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2207,1388,"C.I. ACID ORANGE 7 (FREE ACID) (7CI)","573-89-7","O=C1C(c2c(C=C1)cccc2)=NNc3ccc(cc3)S(=O)(=O)O","O=C1C(c2c(C=C1)cccc2)=NNc3ccc(cc3)S(=O)(=O)O",null,"O=S(=O)(O)c1ccc(cc1)N=Nc2c3c(ccc2O)cccc3",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[2209,4047,"Benzoic acid, 2-hydroxy-, methoxymethyl ester","575-82-6","COCOC(=O)c1c(cccc1)O","COCOC(=O)c1c(cccc1)O","COCOC(=O)c1c(cccc1)O","COCOC(=O)c1c(cccc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2210,3860,"2,4,6-TRICHLOROPHENOXYACETIC ACID","575-89-3","O=C(O)COc1c(cc(cc1Cl)Cl)Cl","O=C(O)COc1c(cc(cc1Cl)Cl)Cl","O=C(O)COc1c(cc(cc1Cl)Cl)Cl","O=C(O)COc1c(cc(cc1Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2212,3644,"2,6-DIMETHYLPHENOL","576-26-1","Cc1c(c(ccc1)C)O","Cc1c(c(ccc1)C)O","Cc1c(c(ccc1)C)O","Cc1c(c(ccc1)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2213,3190,"3,4-Piperidinedicarboxylic acid","577-58-2","O=C(O)C1C(CNCC1)C(=O)O",null,"O=C(O)C1C(CNCC1)C(=O)O","O=C(O)C1C(CNCC1)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2215,3020,"3,4-DINITROPHENOL","577-71-9","O=[N+]([O-])c1c(cc(cc1)O)[N+](=O)[O-]","O=[N+]([O-])c1c(cc(cc1)O)[N+](=O)[O-]","O=[N+]([O-])c1c(cc(cc1)O)[N+](=O)[O-]","O=[N+]([O-])c1c(cc(cc1)O)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2216,970,"1-aminoacridine","578-06-3","Nc1c2c(ccc1)nc3c(cccc3)c2","Nc1c2c(ccc1)nc3c(cccc3)c2","Nc1c2c(ccc1)cc3c(cccc3)n2","Nc1c2c(ccc1)nc3c(cccc3)c2",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[2219,4065,"N-METHYLACETANILIDE","579-10-2","CC(=O)N(C)c1ccccc1","CC(=O)N(C)c1ccccc1","CC(=O)N(C)c1ccccc1","CC(=O)N(C)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2220,1151,"MESO-HYDROBENZOIN","579-43-1","OC(c1ccccc1)C(O)c2ccccc2","OC(c1ccccc1)C(O)c2ccccc2",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","1884"]
[2222,144,"2,6-DIETHYLANILINE","579-66-8","CCc1c(c(ccc1)CC)N","CCc1c(c(ccc1)CC)N","CCc1c(c(ccc1)CC)N","CCc1c(c(ccc1)CC)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2223,3959,"o-methoxybenzoicacid","579-75-9","COOC(=O)c1ccccc1","COc1c(cccc1)C(=O)O","COc1c(cccc1)C(=O)O","COc1c(cccc1)C(=O)O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[2225,4253,"6-HDROXYQUINOLINE","580-16-5",null,"Oc1cc2c(cc1)nccc2","Oc1cc2c(cc1)nccc2","Oc1cc2c(cc1)nccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2226,4256,"3-QUINOLINOL","580-18-7","Oc1cc2c(nc1)cccc2","Oc1cc2c(nc1)cccc2","Oc1cc2c(nc1)cccc2","Oc1cc2c(nc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2228,473,"CHLORAZINE","580-48-3","CCN(CC)c1nc(nc(n1)Cl)N(CC)CC","CCN(CC)c1nc(nc(n1)Cl)N(CC)CC","CCN(CC)c1nc(nc(n1)Cl)N(CC)CC","CCN(CC)c1nc(nc(n1)Cl)N(CC)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2229,573,"2,3-DIMETHYLNAPHTHALENE","581-40-8","Cc1c(cc2c(c1)cccc2)C","Cc1c(cc2c(c1)cccc2)C","Cc1c(cc2c(c1)cccc2)C","Cc1c(cc2c(c1)cccc2)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2232,56,"Anatabine","581-49-7","C=1CNC(CC1)c2cnccc2","C=1CNC(CC1)c2cnccc2",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[2233,303,"2,3'-BIPYRIDINE","581-50-0","c1cnc(cc1)-c2cnccc2","c1cnc(cc1)-c2cnccc2","c1cnc(cc1)-c2cnccc2","c1cnc(cc1)-c2cnccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2235,null,".alpha.-glucoforanose,1,2:5,6-bis-o-(1-methylet","582-52-5",null,"CC1(OC(CO1)C2C(C3C(O2)OC(C)(C)O3)O)C",null,"CC1(OC(CO1)C2C(C3C(O2)OC(C)(C)O3)O)C",2,0,2,"NO","NO",2,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[2236,2606,"8H-Purine-8-thione, 1,7-dihydro-","583-40-4","S=c1[nH]c2-c(n1)nc[nH]c2","S=c1[nH]c2c([nH]1)cncn2",null,"S=c1[nH]c2c([nH]1)cncn2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2238,2973,"O-DIBROMOBENZENE","583-53-9","Brc1c(cccc1)Br","Brc1c(cccc1)Br","Brc1c(cccc1)Br","Brc1c(cccc1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2239,3757,"1,2-DIMETHYLCYCLOHEXANE","583-57-3","CC1C(CCCC1)C","CC1C(CCCC1)C","CC1C(CCCC1)C","CC1C(CCCC1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"3125, 3788"]
[2242,2989,"2,5-DICHLOROPHENOL","583-78-8","Oc1c(ccc(c1)Cl)Cl","Oc1c(ccc(c1)Cl)Cl","Oc1c(ccc(c1)Cl)Cl","Oc1c(ccc(c1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2243,2557,"3-PENTANOL","584-02-1","CCC(O)CC","CCC(O)CC","CCC(O)CC","CCC(O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2245,1659,"ALLETHRIN","584-79-2","C=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O","C=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O","C=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O","C=CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2246,null,"Butanedioic acid, bromo-, (.+-.)-","584-98-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[2248,3720,"T-BUTYL METHACRYLATE","585-07-9","C=C(C)C(=O)OC(C)(C)C","C=C(C)C(=O)OC(C)(C)C","C=C(C)C(=O)OC(C)(C)C","C=C(C)C(=O)OC(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2249,132,"PHENOL, 3-(1,1-DIMETHYLETHYL)-","585-34-2","CC(C)(C)c1cc(ccc1)O","CC(C)(C)c1cc(ccc1)O","CC(C)(C)c1cc(ccc1)O","CC(C)(C)c1cc(ccc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2251,3381,"M-BROMOBENZOIC ACID","585-76-2","O=C(O)c1cc(ccc1)Br","O=C(O)c1cc(ccc1)Br","O=C(O)c1cc(ccc1)Br","O=C(O)c1cc(ccc1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2252,2982,"3-BROMO-1-NITROBENZENE","585-79-5","O=[N+]([O-])c1cc(ccc1)Br","O=[N+]([O-])c1cc(ccc1)Br","O=[N+]([O-])c1cc(ccc1)Br","O=[N+]([O-])c1cc(ccc1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2255,690,"MELIBIOSE","585-99-9","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O","OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[2256,3022,"3,5-DINITROPHENOL","586-11-8","O=[N+]([O-])c1cc(cc(c1)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(cc(c1)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(cc(c1)O)[N+](=O)[O-]","O=[N+]([O-])c1cc(cc(c1)O)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2258,155,"TERPINOLENE","586-62-9","CC=1CCC(CC1)=C(C)C","CC=1CCC(CC1)=C(C)C","CC=1CCC(CC1)=C(C)C","CC=1CCC(CC1)=C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"858, 1542, 3688"]
[2259,3382,"P-BROMOBENZOIC ACID","586-76-5","O=C(O)c1ccc(cc1)Br","O=C(O)c1ccc(cc1)Br","O=C(O)c1ccc(cc1)Br","O=C(O)c1ccc(cc1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2261,3114,"4-PYRIDINEMETHANOL","586-95-8","OCc1ccncc1","OCc1ccncc1","OCc1ccncc1","OCc1ccncc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2262,null,"2-Propanol, 1,3-dichloro-, carbamate","587-01-9","OC(CCl)CCl","NC(=O)OC(CCl)CCl","NC(=O)OC(CCl)CCl",null,2,1,1,"NO","YES",null,null,"Eliminate","-","Missing/ambiguous"]
[2264,28,"Propyliodone","587-61-1","CCCOC(=O)Cn1cc(c(c(c1)I)=O)I","CCCOC(=O)Cn1cc(c(c(c1)I)=O)I","CCCOC(=O)Cn1cc(c(c(c1)I)=O)I","CCCOC(=O)Cn1cc(c(c(c1)I)=O)I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2265,3876,"3,5-DICHLOROPHENOXYACETIC ACID","587-64-4","O=C(O)COc1cc(cc(c1)Cl)Cl","O=C(O)COc1cc(cc(c1)Cl)Cl","O=C(O)COc1cc(cc(c1)Cl)Cl","O=C(O)COc1cc(cc(c1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2268,1120,"STILBENE","588-59-0","C(=Cc1ccccc1)c2ccccc2","C(=Cc1ccccc1)c2ccccc2","C(=Cc1ccccc1)c2ccccc2","C(=Cc1ccccc1)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","929"]
[2269,3647,"P-METHYL BENZYL ALCOHOL","589-18-4","Cc1ccc(cc1)CO","Cc1ccc(cc1)CO","Cc1ccc(cc1)CO","Cc1ccc(cc1)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2271,3299,"3-METHYLHEXANE","589-34-4","CCCC(C)CC","CCCC(C)CC","CCCC(C)CC","CCCC(C)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2272,2877,"3-Methyl-1-pentanol","589-35-5","CCC(C)CCO","CCC(C)CCO","CCC(C)CCO","CCC(C)CCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2274,3310,"4-HEPTANOL","589-55-9","CCCC(O)CCC","CCCC(O)CCC","CCCC(O)CCC","CCCC(O)CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2275,3793,"3-METHYLHEPTANE","589-81-1","CCCCC(C)CC","CCCCC(C)CC","CCCCC(C)CC","CCCCC(C)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2277,2981,"4-BROMOIODOBENZENE","589-87-7","Brc1ccc(cc1)I","Brc1ccc(cc1)I","Brc1ccc(cc1)I","Brc1ccc(cc1)I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2278,3755,"1,4-DIMETHYLCYCLOHEXANE","589-90-2","CC1CCC(CC1)C","CC1CCC(CC1)C","CC1CCC(CC1)C","CC1CCC(CC1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"3126"]
[2281,null,"Potassium Percarbonate","589-97-9",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[2282,3267,"N-BUTYL PROPIONATE","590-01-2","CCCCOC(=O)CC","CCCCOC(=O)CC","CCCCOC(=O)CC","CCCCOC(=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2284,2379,"CIS-2-BUTENE","590-18-1","CC=CC","CC=CC","CC=CC","CC=CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1020, 2508"]
[2285,1918,"1,2-DIIODOETHENE (CIS)","590-26-1","IC=CI","IC=CI",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem","2286"]
[2287,4381,"POTASSIUM CYANATE","590-28-3","N#CO","N#CO","N#CO","N#CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2288,4343,"Potassium Formate","590-29-4","O=CO","O=CO","O=CO","O=CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Organic counterion, Differences in counterions","226, 1566"]
[2290,2880,"2-METHYL-2-PENTANOL","590-36-3","CCCC(C)(C)O","CCCC(C)(C)O","CCCC(C)(C)O","CCCC(C)(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2291,3305,"Bethanechol Chloride","590-63-6","CC(C[N+](C)(C)C)OC(N)=O","CC(C[N+](C)(C)C)OC(N)=O","CC(C[N+](C)(C)C)OC(N)=O","CC(C[N+](C)(C)C)OC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2294,1995,"Dicyanodiamidine Sulfate","591-01-5","NC(=O)N=C(N)N","NC(=O)N=C(N)N",null,"N=C(N)NC(N)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Differences in counterions",""]
[2295,2124,"Acetamide, N-(aminocarbonyl)-","591-07-1","CC(=O)NC(N)=O","CC(=O)NC(N)=O","CC(=O)NC(N)=O","CC(=O)NC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2297,2641,"2(3H)-Furanone, 5-methyl-","591-12-8","CC=1OC(CC1)=O","CC=1OC(CC1)=O","CC=1OC(CC1)=O","CC=1OC(CC1)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2893"]
[2298,3492,"M-BROMOTOLUENE","591-17-3","Cc1cc(ccc1)Br","Cc1cc(ccc1)Br","Cc1cc(ccc1)Br","Cc1cc(ccc1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2300,3590,"3,5-DIMETHYLPYRIDINE","591-22-0","Cc1cc(cnc1)C","Cc1cc(cnc1)C","Cc1cc(cnc1)C","Cc1cc(cnc1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2301,3205,"3-METHYLCYCLOHEXANONE","591-24-2","CC1CC(CCC1)=O","CC1CC(CCC1)=O","CC1CC(CCC1)=O","CC1CC(CCC1)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2303,2991,"3,5-DICHLOROPHENOL","591-35-5","Oc1cc(cc(c1)Cl)Cl","Oc1cc(cc(c1)Cl)Cl","Oc1cc(cc(c1)Cl)Cl","Oc1cc(cc(c1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2304,3194,"1-METHYLCYCLOHEXENE","591-49-1","CC=1CCCCC1","CC=1CCCCC1","CC=1CCCCC1","CC=1CCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2307,2797,"2-HEXANONE","591-78-6","CCCCC(C)=O","CCCCC(C)=O","CCCCC(C)=O","CCCCC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2308,2163,"Hydrazinecarboxamide, 2-ethylidene-","591-86-6","CC=NNC(N)=O","CC=NNC(N)=O",null,null,2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed, Checked on PubChem",""]
[2310,2656,"1,4-PENTADIENE","591-93-5","C=CCC=C","C=CCC=C","C=CCC=C",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"2542"]
[2311,2358,"1-CHLORO-2-BUTENE","591-97-9","CC=CCCl","CC=CCCl","CC=CCCl","CC=CCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[2313,2767,"1-HEXENE","592-41-6","C=CCCCC","C=CCCCC","C=CCCCC","C=CCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2314,2709,"1,5-HEXADIENE","592-42-7","C=CCCC=C","C=CCCC=C","C=CCCC=C","C=CCCC=C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2635, 2752, 4432"]
[2317,2492,"N-BUTYLFORMATE","592-84-7",null,"CCCCOC=O","CCCCOC=O","CCCCOC=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2318,1597,"OCTADECANE","593-45-3","CCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2320,null,"Ethylarsine","593-59-9","CC[AsH2]","CC[AsH2]","CC[As]","CC[As]",2,2,0,"YES","NO",null,null,"Eliminate","-","Unusual elements, Missing/ambiguous"]
[2321,4338,"CHLOROFLUOROMETHANE","593-70-4","FCCl","FCCl","FCCl","FCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2323,2516,"BUTANE, 2-CHLORO-2-METHYL-","594-36-5","CCC(C)(C)Cl","CCC(C)(C)Cl","CCC(C)(C)Cl","CCC(C)(C)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2324,1904,"Acetamide, 2,2,2-tribromo-","594-47-8","NC(=O)C(Br)(Br)Br",null,"NC(=O)C(Br)(Br)Br","NC(=O)C(Br)(Br)Br",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2326,1910,"TRICHLOROACETAMIDE","594-65-0","NC(=O)C(Cl)(Cl)Cl","NC(=O)C(Cl)(Cl)Cl","NC(=O)C(Cl)(Cl)Cl","NC(=O)C(Cl)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2327,1933,"1,1-DICHLORO-1-NITROETHANE","594-72-9","CC(Cl)(Cl)[N+](=O)[O-]","CC(Cl)(Cl)[N+](=O)[O-]","CC(Cl)(Cl)[N+](=O)[O-]","CC(Cl)(Cl)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2330,2528,"DL-Isovaline","595-39-1","CCC(C)(N)C(=O)O","CCC(C)(N)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[2331,3320,"2,3-DIMETHYL-3-PENTANOL","595-41-5","CCC(C)(O)C(C)C","CCC(C)(O)C(C)C",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[2333,2682,"DIMETHYLMALONIC ACID","595-46-0","CC(C)(C(=O)O)C(=O)O","CC(C)(C(=O)O)C(=O)O","CC(C)(C(=O)O)C(=O)O","CC(C)(C(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2334,2538,"2-ETHYL-2-NITRO-1,3-PROPANEDIOL","597-09-1","CCC(CO)(CO)[N+](=O)[O-]","CCC(CO)(CO)[N+](=O)[O-]","CCC(CO)(CO)[N+](=O)[O-]","CCC(CO)(CO)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2336,2385,"2-Propanol, 1,3-dichloro-2-methyl-","597-32-0","CC(O)(CCl)CCl",null,"CC(O)(CCl)CCl","CC(O)(CCl)CCl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2337,2239,"DIETHYL SULFONE","597-35-3","CCS(=O)(=O)CC","CCS(=O)(=O)CC",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[2339,3315,"3-ETHYL-3-PENTANOL","597-49-9","CCC(O)(CC)CC","CCC(O)(CC)CC","CCC(O)(CC)CC","CCC(O)(CC)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2340,2756,"1,2,3-Propanetricarboxamide, 2-hydroxy-","597-59-1","NC(=O)CC(O)(CC(N)=O)C(N)=O","NC(=O)CC(O)(CC(N)=O)C(N)=O","NC(=O)CC(O)(CC(N)=O)C(N)=O","NC(=O)CC(O)(CC(N)=O)C(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2343,3811,"4-HEPTANOL, 4-METHYL-","598-01-6","CCCC(C)(O)CCC","CCCC(C)(O)CCC","CCCC(C)(O)CCC","CCCC(C)(O)CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2344,3810,"3-METHYL-3-HEPTANOL","598-06-1","CCCCC(C)(O)CC","CCCCC(C)(O)CC",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","3633"]
[2346,1924,"1,2-DIBROMO-1-CHLOROETHANE","598-20-9","ClC(Br)CBr","ClC(Br)CBr","ClC(Br)CBr","ClC(Br)CBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2347,1993,"UREA, METHYL-","598-50-5","CNC(N)=O","CNC(N)=O","CNC(N)=O","CNC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2349,1985,"O-METHYL CARBAMATE","598-55-0","COC(N)=O","COC(N)=O","COC(N)=O","COC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2350,1925,"Acetamide, 2,2-dibromo-","598-70-9","NC(=O)C(Br)Br","NC(=O)C(Br)Br","NC(=O)C(Br)Br","NC(=O)C(Br)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2352,2088,"1,1,2-TRICHLOROPROPANE","598-77-6","CC(Cl)C(Cl)Cl","CC(Cl)C(Cl)Cl","CC(Cl)C(Cl)Cl","CC(Cl)C(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2353,2095,"2-CHLOROPROPIONIC ACID","598-78-7","CC(Cl)C(=O)O","CC(Cl)C(=O)O","CC(Cl)C(=O)O","CC(Cl)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2356,4531,"benzenesulfonicacid,4-methyl-,2-methylphenyl","599-75-7",null,"Cc1ccc(cc1)S(=O)(=O)Oc2c(cccc2)C",null,"Cc1ccc(cc1)S(=O)(=O)Oc2c(cccc2)C",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[2357,null,"4-SULFANILAMIDOPYRIMIDINE","599-82-6","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[2359,380,"SULFAPERINE","599-88-2","Cc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N","Cc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N","Cc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N","Cc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2360,2750,"ETHANE, 1,1,1-TRICHLORO-2,2-DIETHOXY-","599-97-3","CCOC(OCC)C(Cl)(Cl)Cl","CCOC(OCC)C(Cl)(Cl)Cl","CCOC(OCC)C(Cl)(Cl)Cl","CCOC(OCC)C(Cl)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2362,2674,"2,3-Pentanedione","600-14-6","CCC(=O)C(C)=O","CCC(=O)C(C)=O","CCC(=O)C(C)=O","CCC(=O)C(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2363,2120,"1-Chloro-1-nitropropane","600-25-9","CCC(Cl)[N+](=O)[O-]","CCC(Cl)[N+](=O)[O-]","CCC(Cl)[N+](=O)[O-]","CCC(Cl)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2365,2680,"ETHYLMALONIC ACID","601-75-2","CCC(C(=O)O)C(=O)O","CCC(C(=O)O)C(=O)O","CCC(C(=O)O)C(=O)O","CCC(C(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2366,2867,"DI-I-PROPYLNITROSOAMINE","601-77-4",null,"CC(C)N(N=O)C(C)C","CC(C)N(N=O)C(C)C","CC(C)N(N=O)C(C)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2369,1261,"ANTHRACENE, 9-NITRO-","602-60-8","O=[N+]([O-])c1c2c(cc3c1cccc3)cccc2","O=[N+]([O-])c1c2c(cc3c1cccc3)cccc2","O=[N+]([O-])c1c2c(cc3c1cccc3)cccc2","O=[N+]([O-])c1c2c(cc3c1cccc3)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2370,954,"ACENAPHTHYLENE, 1,2-DIHYDRO-5-NITRO-","602-87-9","O=[N+]([O-])c1c2c3c(cc1)CCc3ccc2","O=[N+]([O-])c1c2c3c(cc1)CCc3ccc2","O=[N+]([O-])c1c2c3c(cc1)CCc3ccc2","O=[N+]([O-])c1c2c3c(cc1)CCc3ccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2372,3412,"3-METHYL-2,4,6-TRINITROPHENOL","602-99-3","Cc1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-]","Cc1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-]","Cc1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-]","Cc1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2373,124,"PROXYPHYLLINE","603-00-9","CC(O)Cn1c2c(nc1)n(c(n(c2=O)C)=O)C","CC(O)Cn1c2c(nc1)n(c(n(c2=O)C)=O)C","CC(O)Cn1c2c(nc1)n(c(n(c2=O)C)=O)C","CC(O)Cn1c2c(nc1)n(c(n(c2=O)C)=O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2375,1612,"ROSOLIC ACID","603-45-2","O=C1C=CC(C=C1)=C(c2ccc(cc2)O)c3ccc(cc3)O","O=C1C=CC(C=C1)=C(c2ccc(cc2)O)c3ccc(cc3)O",null,"O=C1C=CC(C=C1)=C(c2ccc(cc2)O)c3ccc(cc3)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2376,null,"HLORALANTIPYRINE","603-63-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[2379,1247,"2-HYDROXYANTHRAQUINONE","605-32-3","O=C1c2c(C(c3c1cccc3)=O)cc(O)cc2","O=C1c2c(C(c3c1cccc3)=O)cc(O)cc2","O=C1c2c(C(c3c1cccc3)=O)cc(O)cc2","O=C1c2c(C(c3c1cccc3)=O)cc(O)cc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2380,1191,"DI-I-PROPYL PHTHALATE","605-45-8",null,"CC(C)OC(=O)c1c(cccc1)C(=O)OC(C)C","CC(C)OC(=O)c1c(cccc1)C(=O)OC(C)C","CC(C)OC(=O)c1c(cccc1)C(=O)OC(C)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2382,3456,"2,6-DINITROTOLUENE","606-20-2","Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2383,1289,"BENZOIC ACID, 2-BENZOYL-, METHYL ESTER","606-28-0","COC(=O)c1c(cccc1)C(=O)c2ccccc2","COC(=O)c1c(cccc1)C(=O)c2ccccc2","COC(=O)c1c(cccc1)C(=O)c2ccccc2","COC(=O)c1c(cccc1)C(=O)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2385,3411,"2,4,6-TRINITROANISOLE","606-35-9","COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2386,333,"1-METHYL-2(H)-QUINOLINONE","606-43-9",null,"Cn1c2c(ccc1=O)cccc2","Cn1c2c(ccc1=O)cccc2","Cn1c2c(ccc1=O)cccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2388,334,"4-Hydroxy-2-methylquinoline","607-67-0","Cc1nc2c(c(c1)O)cccc2","Cc1[nH]c2c(c(c1)=O)cccc2",null,"Cc1[nH]c2c(c(c1)=O)cccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2389,311,"2H-1-Benzopyran-2-one, 4-methyl-","607-71-6","Cc1c2c(oc(c1)=O)cccc2","Cc1c2c(oc(c1)=O)cccc2","Cc1c2c(oc(c1)=O)cccc2","Cc1c2c(oc(c1)=O)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2392,2279,"Butanedioic acid, 2,3-dibromo-, (R*,S*)-","608-36-6","O=C(O)C(Br)C(Br)C(=O)O","O=C(O)C(Br)C(Br)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[2393,null,"Butanedioic acid, 2,3-dimethyl-, (R*,R*)-(.+-.)-","608-39-9",null,"CC(C(=O)O)C(C)C(=O)O",null,null,1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[2395,null,"Altraric acid, D-","608-60-6","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[2396,2904,"GALACTITOL","608-66-2","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","30, 268"]
[2398,3167,"PENTACHLOROBENZENE","608-93-5","Clc1c(c(c(c(c1)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)Cl)Cl)Cl",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2399,2960,"trichlorohydroquinone","608-94-6","Oc1c(c(c(cc1)OCl)Cl)Cl","Oc1c(c(c(c(c1)Cl)O)Cl)Cl","Oc1c(c(c(c(c1)Cl)O)Cl)Cl","Oc1c(c(c(c(c1)Cl)O)Cl)Cl",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[2401,2459,"2-NITRO-1-BUTANOL","609-31-4","CCC(CO)[N+](=O)[O-]","CCC(CO)[N+](=O)[O-]","CCC(CO)[N+](=O)[O-]","CCC(CO)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2402,2952,"2,4-DICHLORO-6-NITROPHENOL","609-89-2","O=[N+]([O-])c1c(c(cc(c1)Cl)Cl)O","O=[N+]([O-])c1c(c(cc(c1)Cl)Cl)O","O=[N+]([O-])c1c(c(cc(c1)Cl)Cl)O","O=[N+]([O-])c1c(c(cc(c1)Cl)Cl)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2405,3489,"2,3,4-TRIHYDROXYBENZOIC ACID","610-02-6","O=C(O)c1c(c(c(cc1)O)O)O","O=C(O)c1c(c(c(cc1)O)O)O","O=C(O)c1c(c(c(cc1)O)O)O","O=C(O)c1c(c(c(cc1)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2406,3897,"Benzoic acid, 3-formyl-2-hydroxy-","610-04-8","O=Cc1c(c(ccc1)C(=O)O)O","O=Cc1c(c(ccc1)C(=O)O)O","O=Cc1c(c(ccc1)C(=O)O)O","O=Cc1c(c(ccc1)C(=O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2408,3375,"2,4-DINITROBENZOIC ACID","610-30-0","O=C(O)c1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)c1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2409,3455,"1,2-DINO2 4-METHYL BENZENE","610-39-9",null,"Cc1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]","Cc1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]","Cc1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2411,3869,"1(3H)-ISOBENZOFURANONE, 6-NITRO-","610-93-5","O=C1c2c(CO1)ccc([N+](=O)[O-])c2","O=C1c2c(CO1)ccc([N+](=O)[O-])c2",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[2412,4082,"1-ETHYL-2-METHYLBENZENE","611-14-3","CCc1c(cccc1)C","CCc1c(cccc1)C","CCc1c(cccc1)C","CCc1c(cccc1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2414,null,"2,5-Pyrrolidinedione, 1-(4-ethoxyphenyl)-","611-41-6","CCOc1ccc(cc1)N2C(CCC2=O)=O",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[2415,3967,"BENZENEACETIC ACID, .alpha.-HYDROXY-, (R)-","611-71-2","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1","O=C(O)C(O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","657, 2416, 4147"]
[2418,3655,"1,2-Benzenedimethanol","612-14-6","OCc1c(cccc1)CO","OCc1c(cccc1)CO","OCc1c(cccc1)CO","OCc1c(cccc1)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2419,3966,"Benzoic acid, 2-(hydroxymethyl)-","612-20-4","O=C(O)c1c(cccc1)CO","O=C(O)c1c(cccc1)CO","O=C(O)c1c(cccc1)CO",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2421,3545,"2-NITROBENZYL ALCOHOL","612-25-9","O=[N+]([O-])c1c(cccc1)CO","O=[N+]([O-])c1c(cccc1)CO","O=[N+]([O-])c1c(cccc1)CO","O=[N+]([O-])c1c(cccc1)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2422,1279,"2-METHYLANTHRACENE","613-12-7","Cc1cc2c(cc1)cc3c(cccc3)c2","Cc1cc2c(cc1)cc3c(cccc3)c2","Cc1cc2c(cc1)cc3c(cccc3)c2","Cc1cc2c(cc1)cc3c(cccc3)c2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2424,1143,"P-TOLYLTOLUENE","613-33-2",null,"Cc1ccc(cc1)-c2ccc(cc2)C","Cc1ccc(cc1)-c2ccc(cc2)C","Cc1ccc(cc1)-c2ccc(cc2)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2425,4029,"Benzaldehyde, 2-ethoxy-","613-69-4","CCOc1c(cccc1)C=O","CCOc1c(cccc1)C=O","CCOc1c(cccc1)C=O","CCOc1c(cccc1)C=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2427,1116,"N-Benzoylbenzamide","614-28-8","O=C(NC(=O)c1ccccc1)c2ccccc2","O=C(NC(=O)c1ccccc1)c2ccccc2","O=C(NC(=O)c1ccccc1)c2ccccc2","O=C(NC(=O)c1ccccc1)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2428,3913,"o-chlorophenoxyaceticacid","614-61-9","O=C(COc1ccccc1)OCl","O=C(O)COc1c(cccc1)Cl","O=C(O)COc1c(cccc1)Cl","O=C(O)COc1c(cccc1)Cl",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[2431,3937,"2-methylbenaimidazole","615-15-6",null,"Cc1[nH]c2c(n1)cccc2",null,"Cc1[nH]c2c(n1)cccc2",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[2432,3925,"2-METHYLTHIOBENZOTHIAZOLE","615-22-5","CSc1sc2c(n1)cccc2","CSc1sc2c(n1)cccc2","CSc1sc2c(n1)cccc2","CSc1sc2c(n1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2434,3000,"2-CHLOROIODOBENZENE","615-41-8","Clc1c(cccc1)I","Clc1c(cccc1)I","Clc1c(cccc1)I","Clc1c(cccc1)I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2435,3014,"1,2-DIIODOBENZENE","615-42-9","Ic1c(cccc1)I","Ic1c(cccc1)I","Ic1c(cccc1)I","Ic1c(cccc1)I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2437,2944,"1,2,4-TRIBROMOBENZENE","615-54-3","Brc1cc(c(cc1)Br)Br","Brc1cc(c(cc1)Br)Br","Brc1cc(c(cc1)Br)Br","Brc1cc(c(cc1)Br)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2438,2974,"2,4-DIBROMOPHENOL","615-58-7","Oc1c(cc(cc1)Br)Br","Oc1c(cc(cc1)Br)Br","Oc1c(cc(cc1)Br)Br","Oc1c(cc(cc1)Br)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2441,2847,"DL-Norleucine","616-06-8","CCCCC(N)C(=O)O","CCCCC(N)C(=O)O",null,"CCCCC(N)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"3572, 1733"]
[2442,2515,"3-CHLOROPENTANE","616-20-6","CCC(Cl)CC","CCC(Cl)CC","CCC(Cl)CC","CCC(Cl)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2444,2576,"Ethanamine, N-ethyl-N-methyl-","616-39-7","CCN(C)CC","CCN(C)CC","CCN(C)CC","CCN(C)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2445,2647,"3-METHYLTHIOPHENE","616-44-4","Cc1cscc1","Cc1cscc1","Cc1cscc1","Cc1cscc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2447,2322,"1H-IMIDAZOLE, 1-METHYL-","616-47-7","Cn1cncc1","Cn1cncc1","Cn1cncc1","Cn1cncc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2448,2731,"PROPYLPROPANEDIOIC ACID","616-62-6","CCCC(C(=O)O)C(=O)O","CCCC(C(=O)O)C(=O)O","CCCC(C(=O)O)C(=O)O","CCCC(C(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2450,3896,"Benzoic acid, 5-formyl-2-hydroxy-","616-76-2","O=Cc1cc(c(cc1)O)C(=O)O","O=Cc1cc(c(cc1)O)C(=O)O","O=Cc1cc(c(cc1)O)C(=O)O","O=Cc1cc(c(cc1)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2451,3457,"2-AMINO-5-NITROBENZOIC ACID","616-79-5","Nc1c(cc(cc1)[N+](=O)[O-])C(=O)O","Nc1c(cc(cc1)[N+](=O)[O-])C(=O)O","Nc1c(cc(cc1)[N+](=O)[O-])C(=O)O","Nc1c(cc(cc1)[N+](=O)[O-])C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2454,2373,"DL-Aspartic acid","617-45-8","NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O","NC(CC(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"109"]
[2455,2351,"Butanedioic acid, hydroxy-, (.+-.)-","617-48-1","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O",null,"O=C(O)CC(O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"2595, 3796"]
[2457,3183,"2-Butenedioic acid, 2-methyl-, dimethyl ester, (","617-54-9",null,"COC(=O)C=C(C)C(=O)OC","COC(=O)C=C(C)C(=O)OC","COC(=O)C=C(C)C(=O)OC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","2456"]
[2458,2701,"GLUTAMIC ACID (DL)","617-65-2","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",null,"NC(CCC(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"111, 1536, 1582, 3790, 3792"]
[2460,2650,"2-AMINOMETHYLFURAN","617-89-0","NCc1occc1","NCc1occc1","NCc1occc1","NCc1occc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2461,3612,"Benzenesulfonic acid, 3-amino-4-methyl-","618-03-1","Cc1c(cc(cc1)S(=O)(=O)O)N","Cc1c(cc(cc1)S(=O)(=O)O)N","Cc1c(cc(cc1)S(=O)(=O)O)N","Cc1c(cc(cc1)S(=O)(=O)O)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2463,2590,"2-Furancarboxylic acid, 5-chloro-","618-30-4","O=C(O)c1oc(cc1)Cl","O=C(O)c1oc(cc1)Cl","O=C(O)c1oc(cc1)Cl","O=C(O)c1oc(cc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2464,3405,"3-IODOBENZOIC ACID","618-51-9","O=C(O)c1cc(ccc1)I","O=C(O)c1cc(ccc1)I","O=C(O)c1cc(ccc1)I","O=C(O)c1cc(ccc1)I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2467,3902,"5-Hydroxyisophthalic acid","618-83-7","O=C(O)c1cc(cc(c1)O)C(=O)O","O=C(O)c1cc(cc(c1)O)C(=O)O","O=C(O)c1cc(cc(c1)O)C(=O)O","O=C(O)c1cc(cc(c1)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2468,null,"Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2","619-02-3",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[2470,3544,"M-NITROBENZYL ALCOHOL","619-25-0","O=[N+]([O-])c1cc(ccc1)CO","O=[N+]([O-])c1cc(ccc1)CO","O=[N+]([O-])c1cc(ccc1)CO","O=[N+]([O-])c1cc(ccc1)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2471,3991,"METHYL P-AMINOBENZOATE","619-45-4","COC(=O)c1ccc(cc1)N","COC(=O)c1ccc(cc1)N","COC(=O)c1ccc(cc1)N","COC(=O)c1ccc(cc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2473,3868,"P-CYANOBENZOIC ACID","619-65-8","N#Cc1ccc(cc1)C(=O)O","N#Cc1ccc(cc1)C(=O)O",null,"N#Cc1ccc(cc1)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2474,3543,"P-NITROBENZYL ALCOHOL","619-73-8","O=[N+]([O-])c1ccc(cc1)CO","O=[N+]([O-])c1ccc(cc1)CO","O=[N+]([O-])c1ccc(cc1)CO","O=[N+]([O-])c1ccc(cc1)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2476,4066,"4-DIMETHYLAMINO BENZOIC ACID","619-84-1","CN(C)c1ccc(cc1)C(=O)O","CN(C)c1ccc(cc1)C(=O)O",null,"CN(C)c1ccc(cc1)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2477,3572,"M-HYDROXYBENZYL ALCOHOL","620-24-6","OCc1cc(ccc1)O","OCc1cc(ccc1)O",null,"OCc1cc(ccc1)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2480,2865,"N-NITROSODIPROPYLAMINE","621-64-7","CCCN(CCC)N=O","CCCN(CCC)N=O","CCCN(CCC)N=O","CCCN(CCC)N=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2481,1761,"TRICAPROIN","621-70-5","CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC","CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC","CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC","CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2483,4282,"CINNAMIC ACID","621-82-9","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1","O=C(O)C=Cc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1552"]
[2484,3998,"O-BENZYL CARBAMATE","621-84-1","NC(=O)OCc1ccccc1","NC(=O)OCc1ccccc1",null,"NC(=O)OCc1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2486,3923,"4-METHYLPHENYLISOTHIOCYANATE","622-59-3","Cc1ccc(cc1)N=C=S","Cc1ccc(cc1)N=C=S","Cc1ccc(cc1)N=C=S","Cc1ccc(cc1)N=C=S",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2487,3924,"BENZYLISOTHIOCYANATE","622-78-6","S=C=NCc1ccccc1","S=C=NCc1ccccc1","S=C=NCc1ccccc1","S=C=NCc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2489,4081,"P-ETHYLTOLUENE","622-96-8","CCc1ccc(cc1)C","CCc1ccc(cc1)C","CCc1ccc(cc1)C","CCc1ccc(cc1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2490,4006,"P-METHYLSTYRENE","622-97-9","C=Cc1ccc(cc1)C","C=Cc1ccc(cc1)C","C=Cc1ccc(cc1)C","C=Cc1ccc(cc1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2493,3510,"4-CHLOROANISOLE","623-12-1","COc1ccc(cc1)Cl","COc1ccc(cc1)Cl","COc1ccc(cc1)Cl","COc1ccc(cc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2494,3893,"1,4-Benzenedicarboxaldehyde","623-27-8","O=Cc1ccc(cc1)C=O","O=Cc1ccc(cc1)C=O","O=Cc1ccc(cc1)C=O","O=Cc1ccc(cc1)C=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2496,2495,"METHYLBUTYRATE","623-42-7","CCCC(=O)OC","CCCC(=O)OC","CCCC(=O)OC","CCCC(=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2497,2529,"ETHYL ETHYLCARBAMATE","623-78-9","CCNC(=O)OCC","CCNC(=O)OCC","CCNC(=O)OCC","CCNC(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2499,2131,"1,2,3-PROPANETRIOL, 1,3-DINITRATE","623-87-0","O=[N+]([O-])OCC(O)CO[N+](=O)[O-]","O=[N+]([O-])OCC(O)CO[N+](=O)[O-]",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[2500,4201,"5-NONANOL","623-93-8","CCCCC(O)CCCC","CCCCC(O)CCCC","CCCCC(O)CCCC","CCCCC(O)CCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2502,1074,"DIETHYL AZELATE","624-17-9","CCOC(=O)CCCCCCCC(=O)OCC","CCOC(=O)CCCCCCCC(=O)OCC","CCOC(=O)CCCCCCCC(=O)OCC","CCOC(=O)CCCCCCCC(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2503,2812,"METHYL VALERATE","624-24-8","CCCCC(=O)OC","CCCCC(=O)OC","CCCCC(=O)OC","CCCCC(=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2506,4199,"3-NONANOL","624-51-1","CCCCCCC(O)CC","CCCCCCC(O)CC","CCCCCCC(O)CC","CCCCCCC(O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2507,3769,"AMYL PROPIONATE","624-54-4","CCCCCOC(=O)CC","CCCCCOC(=O)CC","CCCCCOC(=O)CC","CCCCCOC(=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2509,1959,"ETHANE, 1,2-DIIODO-","624-73-7","ICCI","ICCI","ICCI","ICCI",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2510,2006,"DIMETHYLDISULFIDE","624-92-0","CSSC","CSSC","CSSC","CSSC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2512,3323,"2,4-DIMETHYL-2-PENTANOL","625-06-9","CC(C)CC(C)(C)O","CC(C)CC(C)(C)O","CC(C)CC(C)(C)O","CC(C)CC(C)(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2513,2866,"Urea, (1,1-dimethylpropyl)-","625-15-0","CCC(C)(C)NC(N)=O","CCC(C)(C)NC(N)=O","CCC(C)(C)NC(N)=O","CCC(C)(C)NC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2516,2514,"2-CHLOROPENTANE","625-29-6","CCCC(C)Cl","CCCC(C)Cl","CCCC(C)Cl","CCCC(C)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2517,2564,"METHYL ISOBUTYL ETHER","625-44-5","COCC(C)C","COCC(C)C","COCC(C)C","COCC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2519,1987,"2-NITROETHANOL","625-48-9","O=[N+]([O-])CCO","O=[N+]([O-])CCO","O=[N+]([O-])CCO","O=[N+]([O-])CCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2520,2562,"ETHYL ISOPROPYL ETHER","625-54-7","CCOC(C)C","CCOC(C)C","CCOC(C)C","CCOC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2522,2996,"M-CHLOROFLUOROBENZENE","625-98-9","Fc1cc(ccc1)Cl","Fc1cc(ccc1)Cl","Fc1cc(ccc1)Cl","Fc1cc(ccc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2523,2999,"3-CHLOROIODOBENZENE","625-99-0","Clc1cc(ccc1)I","Clc1cc(ccc1)I","Clc1cc(ccc1)I","Clc1cc(ccc1)I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2525,2624,"2,4-Dihydroxypyridine","626-03-9","Oc1cc(ncc1)O","O=c1cc([nH]cc1)O","Oc1cc(ncc1)O","Oc1cc(ncc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2526,3654,"1,3-Benzenedimethanol","626-18-6","OCc1cc(ccc1)CO","OCc1cc(ccc1)CO","OCc1cc(ccc1)CO","OCc1cc(ccc1)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2529,2632,"24pyrimidinedione6methyl","626-48-2",null,"Cc1[nH]c([nH]c(c1)=O)=O",null,"Cc1[nH]c([nH]c(c1)=O)=O",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[2530,2620,"4-HYDROXYPYRIDINE","626-64-2","Oc1ccncc1","O=c1cc[nH]cc1","Oc1ccncc1","Oc1ccncc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2532,1080,"2-Propanol, 1,3-bis(3-methylbutoxy)-","626-78-8","CC(C)CCOCC(O)COCCC(C)C","CC(C)CCOCC(O)COCCC(C)C","CC(C)CCOCC(O)COCCC(C)C","CC(C)CCOCC(O)COCCC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2533,3726,"HEXANEDIOIC ACID, MONOETHYL ESTER","626-86-8","CCOC(=O)CCCCC(=O)O","CCOC(=O)CCCCC(=O)O","CCOC(=O)CCCCC(=O)O","CCOC(=O)CCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2535,2873,"2-HEXANOL","626-93-7","CCCCC(C)O","CCCCC(C)O","CCCCC(C)O","CCCCC(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2536,2671,"2-Pentenoic acid","626-98-2","CCC=CC(=O)O","CCC=CC(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[2538,2881,"PROPYL ISOPROPYL ETHER","627-08-7","CCCOC(C)C","CCCOC(C)C","CCCOC(C)C","CCCOC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2539,2449,"O-PROPYLCARBAMATE","627-12-3",null,"CCCOC(N)=O","CCCOC(N)=O","CCCOC(N)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2542,2656,"1-PENTYNE","627-19-0","C#CCCC","C#CCCC","C#CCCC","C#CCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2310"]
[2543,2470,"CIS-2-PENTENE","627-20-3","CC=CCC","CC=CCC","CC=CCC","CC=CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1139, 1140, 2617"]
[2545,2157,"Ethane, 1-chloro-2-methoxy-","627-42-9","COCCCl","COCCCl","COCCCl","COCCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2546,3321,"5-METHYL-2-HEXANOL","627-59-8","CC(C)CCC(C)O","CC(C)CCC(C)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[2548,4624,"S-<(E)-1,2-dichloro-vinyl>-L-cysteine","627-72-5",null,"NC(CSC(Cl)=CCl)C(=O)O",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[2549,3824,"3-isopentyloxy-propane-1,2-diol","627-92-9","CC(C)CCOCC(O)CO","CC(C)CCOCC(O)CO","CC(C)CCOCC(O)CO","CC(C)CCOCC(O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2551,2525,"1-NITROPENTANE","628-05-7","CCCCC[N+](=O)[O-]","CCCCC[N+](=O)[O-]","CCCCC[N+](=O)[O-]","CCCCC[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2552,2555,"METHYL N-BUTYL ETHER","628-28-4","CCCCOC","CCCCOC","CCCCOC","CCCCOC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2555,3265,"N-AMYL ACETATE","628-63-7","CCCCCOC(C)=O","CCCCCOC(C)=O","CCCCCOC(C)=O","CCCCCOC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2556,3225,"1,3-propanediol,diacetate","628-66-0","OCCCO","CC(=O)OCCCOC(C)=O","CC(=O)OCCCOC(C)=O","CC(=O)OCCCOC(C)=O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[2558,3192,"CYCLOHEPTENE","628-92-2","C=1CCCCCC1","C=1CCCCCC1","C=1CCCCCC1","C=1CCCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2559,2783,"HEXANEDIAMIDE","628-94-4","NC(=O)CCCCC(N)=O","NC(=O)CCCCC(N)=O","NC(=O)CCCCC(N)=O","NC(=O)CCCCC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2561,4198,"2-NONANOL","628-99-9","CCCCCCCC(C)O","CCCCCCCC(C)O","CCCCCCCC(C)O","CCCCCCCC(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2562,3285,"1-BROMOHEPTANE","629-04-9","CCCCCCCBr","CCCCCCCBr","CCCCCCCBr","CCCCCCCBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2564,3286,"1-CHLOROHEPTANE","629-06-1","CCCCCCCCl","CCCCCCCCl","CCCCCCCCl","CCCCCCCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2565,2895,"1,2-DIETHOXYETHANE","629-14-1","CCOCCOCC","CCOCCOCC","CCOCCOCC","CCOCCOCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2568,1377,"N-PENTADECANE","629-62-9","CCCCCCCCCCCCCCC","CCCCCCCCCCCCCCC","CCCCCCCCCCCCCCC","CCCCCCCCCCCCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2569,1378,"1-PENTADECANOL","629-76-5","CCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2571,2042,"HEXATRIACONTANE","630-06-8","CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC","CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2572,1912,"1,1,1,2-TETRACHLOROETHANE","630-20-6","ClCC(Cl)(Cl)Cl","ClCC(Cl)(Cl)Cl","ClCC(Cl)(Cl)Cl","ClCC(Cl)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2574,377,"2,4-IMIDAZOLIDINEDIONE, 5-ETHYL-5-PHENYL-","631-07-2","CCC1(C(NC(N1)=O)=O)c2ccccc2","CCC1(C(NC(N1)=O)=O)c2ccccc2","CCC1(C(=NC(=N1)O)O)c2ccccc2","CCC1(C(=NC(=N1)O)O)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2575,3217,"2-Ethyl-2-methyl-succinic acid","631-31-2","CCC(C)(CC(=O)O)C(=O)O","CCC(C)(CC(=O)O)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[2578,32,"SULFASOMIZOLE","632-00-8","Cc1nsc(c1)NS(=O)(=O)c2ccc(cc2)N","Cc1nsc(c1)NS(=O)(=O)c2ccc(cc2)N","Cc1nsc(c1)NS(=O)(=O)c2ccc(cc2)N","Cc1nsc(c1)NS(=O)(=O)c2ccc(cc2)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2579,2177,"Isoserine","632-12-2","NCC(O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on PubChem, Manual Check passed","2194"]
[2581,3490,"BENZOIC ACID, 2-SULFO-","632-25-7","O=C(O)c1c(cccc1)S(=O)(=O)O","O=C(O)c1c(cccc1)S(=O)(=O)O","O=C(O)c1c(cccc1)S(=O)(=O)O","O=C(O)c1c(cccc1)S(=O)(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[2582,3851,"TETRACHLOROPHTHALIC ACID","632-58-6","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)O","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)O","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)O","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2584,3342,"Benzoic acid, 2,4,6-tribromo-","633-12-5","O=C(O)c1c(cc(cc1Br)Br)Br","O=C(O)c1c(cc(cc1Br)Br)Br","O=C(O)c1c(cc(cc1Br)Br)Br","O=C(O)c1c(cc(cc1Br)Br)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2585,2378,"Butanoic acid, 4-amino-2,3-dihydroxy-4-oxo-","634-64-0","NC(=O)C(O)C(O)C(=O)O",null,"NC(=O)C(O)C(O)C(=O)O","NC(=O)C(O)C(O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2587,2937,"1,2,3,5-TETRACHLOROBENZENE","634-90-2","Clc1cc(c(c(c1)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2588,2995,"2,4,6-TRICHLOROANILINE","634-93-5","Nc1c(cc(cc1Cl)Cl)Cl","Nc1c(cc(cc1Cl)Cl)Cl","Nc1c(cc(cc1Cl)Cl)Cl","Nc1c(cc(cc1Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2591,4623,"4(1h)-pyrimidinone,2,3-dihydro-5-methyl-2-thiox","636-26-0",null,"Cc1c([nH]c([nH]c1)=S)=O",null,"Cc1c([nH]c([nH]c1)=S)=O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[2592,2930,"1,2,4,5-TETRABROMOBENZENE","636-28-2","Brc1c(cc(c(c1)Br)Br)Br","Brc1c(cc(c(c1)Br)Br)Br","Brc1c(cc(c(c1)Br)Br)Br","Brc1c(cc(c(c1)Br)Br)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2594,2681,"butanedioicacid,methyl-,(.+-.)-","636-60-2",null,"CC(CC(=O)O)C(=O)O",null,"CC(CC(=O)O)C(=O)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed","1901, 3406"]
[2595,2351,"L-malic acid","636-61-3","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","2455, 3796"]
[2597,4640,"p-benzoquinoneoxime","637-62-7",null,"O=Nc1ccc(cc1)O",null,"O=C1C=CC(C=C1)=NO",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[2598,2818,"ISOPROPYL PROPIONATE","637-78-5","CCC(=O)OC(C)C","CCC(=O)OC(C)C","CCC(=O)OC(C)C","CCC(=O)OC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2600,2890,"ETHYL T-BUTYL ETHER","637-92-3","CCOC(C)(C)C","CCOC(C)(C)C","CCOC(C)(C)C","CCOC(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2601,4635,"4H-1,3,5-Dithiazine, dihydro-2,4,6-trimethyl-,","638-17-5",null,"CC1SC(SC(N1)C)C",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[2604,null,"TRIPHENYLTIN CHLORIDE","639-58-7","Cl[Sn](c1ccccc1)(c2ccccc2)c3ccccc3",null,"Cl[Sn](c1ccccc1)(c2ccccc2)c3ccccc3",null,2,0,2,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[2605,2920,"THIOMETON","640-15-3","CCSCCSP(=S)(OC)OC","CCSCCSP(=S)(OC)OC","CCSCCSP(=S)(OC)OC","CCSCCSP(=S)(OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2607,1874,"GLYCOCHENODEOXYCHOLIC ACID","640-79-9","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C","CC(CCC(=O)NCC(=O)O)C1C2(C(CC1)C3C(C4(C(CC3O)CC(O)CC4)C)CC2)C",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem","5037"]
[2608,null,"D-Inositol","643-12-9","CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(N)C(=O)O","OC1C(C(C(C(C1O)O)O)O)O","OC1C(C(C(C(C1O)O)O)O)O",null,2,1,1,"NO","YES",null,null,"Eliminate","-","Missing/ambiguous"]
[2610,4287,"ACETYL BENZOYL PEROXIDE","644-31-5","CC(=O)OOC(=O)c1ccccc1","CC(=O)OOC(=O)c1ccccc1","CC(=O)OOC(=O)c1ccccc1","CC(=O)OOC(=O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2611,4172,"hexamethylmelamine","645-05-6",null,"CN(C)c1nc(nc(n1)N(C)C)N(C)C",null,"CN(C)c1nc(nc(n1)N(C)C)N(C)C",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[2613,4097,"4-PROPYLPHENOL","645-56-7","CCCc1ccc(cc1)O","CCCc1ccc(cc1)O","CCCc1ccc(cc1)O","CCCc1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2614,3717,"2-ETHYL-2-HEXENAL","645-62-5","CCCC=C(C=O)CC","CCCC=C(C=O)CC","CCCC=C(C=O)CC","CCCC=C(C=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[2617,2470,"TRANS-2-PENTENE","646-04-8","CC=CCC","CC=CCC","CC=CCC","CC=CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1139, 1140, 2543"]
[2618,2143,"1,3-DIOXALANE","646-06-0",null,"C1OCOC1","C1OCOC1","C1OCOC1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2620,2533,"5-AMINOPENTANOIC ACID","660-88-8","NCCCCC(=O)O","NCCCCC(=O)O","NCCCCC(=O)O","NCCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2621,1202,"TOLCYCLAMIDE","664-95-9","Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2","Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2",null,"Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2623,3739,"SIMETONE","673-04-1","CCNc1nc(nc(n1)NCC)OC","CCNc1nc(nc(n1)NCC)OC","CCNc1nc(nc(n1)NCC)OC","CCNc1nc(nc(n1)NCC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2624,4070,"D-Phenylalanine","673-06-3","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O","NC(Cc1ccccc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","222, 1625"]
[2626,2241,"Ethanesulfonothioic acid, S-ethyl ester","682-91-7","CCSS(=O)(=O)CC","CCSS(=O)(=O)CC","CCSS(=O)(=O)CC","CCSS(=O)(=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2627,null,"Dibutyl dichloro tin","683-18-1","CCCC[Sn](Cl)(Cl)CCCC",null,"CCCC[Sn](Cl)(Cl)CCCC","CCCC[Sn](Cl)(Cl)CCCC",3,0,1,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[2630,1932,"ACETAMIDE, 2,2-DICHLORO-","683-72-7","NC(=O)C(Cl)Cl","NC(=O)C(Cl)Cl","NC(=O)C(Cl)Cl","NC(=O)C(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2631,1978,"1-NITROSO-1-METHYLUREA","684-93-5","CN(N=O)C(N)=O","CN(N=O)C(N)=O","CN(N=O)C(N)=O","CN(N=O)C(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2633,2278,"1-BUTEN-3-YNE","689-97-4","C#CC=C","C#CC=C","C#CC=C","C#CC=C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2634,2768,"4-METHYL-1-PENTENE","691-37-2","C=CCC(C)C","C=CCC(C)C","C=CCC(C)C","C=CCC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2636,4613,"diethylenediglycol,dinitrate","693-21-0",null,"O=[N+]([O-])OCCOCCO[N+](=O)[O-]",null,"O=[N+]([O-])OCCOCCO[N+](=O)[O-]",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[2637,700,"Dodecanedioic acid","693-23-2","O=C(O)CCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCC(=O)O","O=C(O)CCCCCCCCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2639,2623,"PYRIDINE, 1-OXIDE","694-59-7","[O-][n+]1ccccc1","[O-][n+]1ccccc1","[O-][n+]1ccccc1","[O-][n+]1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2640,2978,"2-BROMOCHLOROBENZENE","694-80-4","Clc1c(cccc1)Br","Clc1c(cccc1)Br","Clc1c(cccc1)Br","Clc1c(cccc1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2643,3678,"BENZENAMINE, N,3-DIMETHYL-","696-44-6","CNc1cc(ccc1)C","CNc1cc(ccc1)C","CNc1cc(ccc1)C","CNc1cc(ccc1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2644,4100,"2,3,5-TRIMETHYLPHENOL","697-82-5","Cc1cc(c(c(c1)C)C)O","Cc1cc(c(c(c1)C)C)O","Cc1cc(c(c(c1)C)C)O","Cc1cc(c(c(c1)C)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2646,443,"PENTAMETHYLBENZENE","700-12-9","Cc1c(c(c(c(c1)C)C)C)C","Cc1c(c(c(c(c1)C)C)C)C","Cc1c(c(c(c(c1)C)C)C)C","Cc1c(c(c(c(c1)C)C)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2647,3538,"5-METHYL-2-NITROPHENOL","700-38-9","Cc1cc(c(cc1)[N+](=O)[O-])O","Cc1cc(c(cc1)[N+](=O)[O-])O","Cc1cc(c(cc1)[N+](=O)[O-])O","Cc1cc(c(cc1)[N+](=O)[O-])O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2649,3055,"2-Pteridinamine","700-81-2","Nc1nc2c(cn1)nccn2",null,"Nc1nc2c(cn1)nccn2","Nc1nc2c(cn1)nccn2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2650,2468,"OCTACHLOROCYCLOPENTENE","706-78-5","ClC=1C(C(C(C1Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl","ClC=1C(C(C(C1Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl","ClC=1C(C(C(C1Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl","ClC=1C(C(C(C1Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2653,4665,"thiourea,3-(nitrophenyl)-","709-72-8","NC(=S)Nc1c(cccc1)[N+](=O)[O-]","NC(=S)Nc1cc(ccc1)[N+](=O)[O-]",null,"NC(=S)Nc1cc(ccc1)[N+](=O)[O-]",2,1,1,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[2654,4295,"PROPANIL","709-98-8","CCC(=O)Nc1cc(c(cc1)Cl)Cl","CCC(=O)Nc1cc(c(cc1)Cl)Cl","CCC(=O)Nc1cc(c(cc1)Cl)Cl","CCC(=O)Nc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2656,null,"Hydrazinecarboxamide, 2-[3-[5-nitro-2-furanyl)-2","721-71-1",null,"NC(=O)NN=CC=Cc1oc(cc1)[N+](=O)[O-]",null,null,1,0,3,"NO","NO",1,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[2657,34,"SULFAMETHOXAZOLE","723-46-6","Cc1onc(c1)NS(=O)(=O)c2ccc(cc2)N","Cc1onc(c1)NS(=O)(=O)c2ccc(cc2)N","Cc1onc(c1)NS(=O)(=O)c2ccc(cc2)N","Cc1onc(c1)NS(=O)(=O)c2ccc(cc2)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2659,1268,"ANTHRACENE-9-CARBOXYLIC ACID","723-62-6","O=C(O)c1c2c(cc3c1cccc3)cccc2","O=C(O)c1c2c(cc3c1cccc3)cccc2","O=C(O)c1c2c(cc3c1cccc3)cccc2","O=C(O)c1c2c(cc3c1cccc3)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2660,397,"Sulfamoxole","729-99-7","Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C","Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C","Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C","Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2662,384,"PHOSMET","732-11-6","COP(=S)(OC)SCN1C(c2c(C1=O)cccc2)=O","COP(=S)(OC)SCN1C(c2c(C1=O)cccc2)=O","COP(=S)(OC)SCN1C(c2c(C1=O)cccc2)=O","COP(=S)(OC)SCN1C(c2c(C1=O)cccc2)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2663,1587,"2,4,6-TRI(TERT-BUTYL)PHENOL","732-26-3","CC(C)(C)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C","CC(C)(C)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C","CC(C)(C)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C","CC(C)(C)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2666,1878,"Rolitetracycline","751-97-3","CN(C)C1C2C(C(C(C1=O)=C(O)NCN3CCCC3)=O)(O)C(=O)C=4C(C(c5c(C4O)c(O)ccc5)(C)O)C2","CN(C)C1C2C(C(C(C1=O)=C(O)NCN3CCCC3)=O)(O)C(=O)C=4C(C(c5c(C4O)c(O)ccc5)(C)O)C2","CN(C)C1C2C(C(C(=C1O)C(=O)NCN3CCCC3)=O)(O)C(O)=C4C(C(c5c(C4=O)c(O)ccc5)(C)O)C2","CN(C)C1C2C(C(C(=C1O)C(=O)NCN3CCCC3)=O)(O)C(O)=C4C(C(c5c(C4=O)c(O)ccc5)(C)O)C2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Differences in counterions",""]
[2667,null,"DIMETHYLTIN DICHLORIDE","753-73-1","C[Sn](C)(Cl)Cl",null,"C[Sn](C)(Cl)Cl","C[Sn](C)(Cl)Cl",3,0,1,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[2669,740,"HEXAETHYL TETRAPHOSPHATE","757-58-4","CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC","CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[2670,2164,"N-ETHYL-N-NITROSOUREA","759-73-9","CCN(N=O)C(N)=O","CCN(N=O)C(N)=O","CCN(N=O)C(N)=O","CCN(N=O)C(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2672,2319,"3,4-DICHLORO-1-BUTENE","760-23-6","C=CC(Cl)CCl","C=CC(Cl)CCl","C=CC(Cl)CCl","C=CC(Cl)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2673,195,"Propanedioic acid, heptyl-","760-54-3","CCCCCCCC(C(=O)O)C(=O)O","CCCCCCCC(C(=O)O)C(=O)O",null,"CCCCCCCC(C(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2675,2524,"DL-Norvaline","760-78-1","CCCC(N)C(=O)O","CCCC(N)C(=O)O","CCCC(N)C(=O)O","CCCC(N)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1900, 3767"]
[2676,1954,"1-Chloro-2-fluoroethane","762-50-5","FCCCl","FCCCl","FCCCl","FCCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2679,3710,"2,5-DIMETHYL-2,4-HEXADIENE","764-13-6","CC(C)=CC=C(C)C","CC(C)=CC=C(C)C","CC(C)=CC=C(C)C","CC(C)=CC=C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2680,2320,"1,4-DICHLORO-2-BUTENE","764-41-0","ClCC=CCCl","ClCC=CCCl","ClCC=CCCl","ClCC=CCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1179, 2913"]
[2682,3511,"O-CHLOROANISOLE","766-51-8","COc1c(cccc1)Cl","COc1c(cccc1)Cl","COc1c(cccc1)Cl","COc1c(cccc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2683,3153,"2-AMINO-4,6-DIMETHYLPYRIMIDINE","767-15-7","Cc1nc(nc(c1)C)N","Cc1nc(nc(c1)C)N","Cc1nc(nc(c1)C)N","Cc1nc(nc(c1)C)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2685,4103,"1-PHENOXY-2-PROPANOL","770-35-4","CC(O)COc1ccccc1","CC(O)COc1ccccc1","CC(O)COc1ccccc1","CC(O)COc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2686,1121,"9,10-DIHYDROPHENANTHRENE","776-35-2","c1cc2c(cc1)-c3c(CC2)cccc3","c1cc2c(cc1)-c3c(CC2)cccc3","c1cc2c(cc1)-c3c(CC2)cccc3","c1cc2c(cc1)-c3c(CC2)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2688,1400,"9,10-DIMETHYLANTHRACENE","781-43-1","Cc1c2c(c(c3c1cccc3)C)cccc2","Cc1c2c(c(c3c1cccc3)C)cccc2","Cc1c2c(c(c3c1cccc3)C)cccc2","Cc1c2c(c(c3c1cccc3)C)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2689,444,"CARBOPHENTHION","786-19-6",null,"CCOP(=S)(OCC)SCSc1ccc(cc1)Cl","CCOP(=S)(OCC)SCSc1ccc(cc1)Cl","CCOP(=S)(OCC)SCSc1ccc(cc1)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2692,null,"1-Butanone, 1-(4-fluorophenyl)-4-[4-(4-fluorophe","803-45-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[2693,3338,"Phosphoric acid, diethyl propyl ester","814-22-2","CCCOP(=O)(OCC)OCC","CCCOP(=O)(OCC)OCC","CCCOP(=O)(OCC)OCC","CCCOP(=O)(OCC)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2695,4152,"DIETHYL GLUTARATE","818-38-2","CCOC(=O)CCCC(=O)OCC","CCOC(=O)CCCC(=O)OCC","CCOC(=O)CCCC(=O)OCC","CCOC(=O)CCCC(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2696,2678,"2-HYDROXYETHYL ACRYLATE","818-61-1","C=CC(=O)OCCO","C=CC(=O)OCCO","C=CC(=O)OCCO","C=CC(=O)OCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2698,2481,"4-PENTEN-1-OL","821-09-0","C=CCCCO","C=CCCCO","C=CCCCO","C=CCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1182"]
[2699,3825,"4,4'-Oxydi-2-butanol","821-33-0","CC(O)CCOCCC(C)O","CC(O)CCOCCC(C)O","CC(O)CCOCCC(C)O","CC(O)CCOCCC(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2701,4175,"2-NONANONE","821-55-6","CCCCCCCC(C)=O","CCCCCCCC(C)=O","CCCCCCCC(C)=O","CCCCCCCC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2702,2819,"1,3-DIOXOLANE, 2-(1-METHYLETHYL)-","822-83-3","CC(C)C1OCCO1","CC(C)C1OCCO1","CC(C)C1OCCO1","CC(C)C1OCCO1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2705,3732,"2,6-dimethyl-1,3-dioxan-4-olacetate","828-00-2","CC1OC(OC(C1)O)C","CC(=O)OC1OC(OC(C1)C)C","CC(=O)OC1OC(OC(C1)C)C","CC(=O)OC1OC(OC(C1)C)C",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[2706,1010,"2,3,6-TRIMETHYLNAPHTHALENE","829-26-5","Cc1cc2c(cc1)cc(C)c(C)c2","Cc1cc2c(cc1)cc(C)c(C)c2","Cc1cc2c(cc1)cc(C)c(C)c2","Cc1cc2c(cc1)cc(C)c(C)c2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2708,4673,"1h-purine-2,6-dione,3,7-dihydro-1,3,8-trimethyl","830-65-9",null,"Cc1[nH]c2c(n1)n(c(n(c2=O)C)=O)C",null,"Cc1[nH]c2c(n1)n(c(n(c2=O)C)=O)C",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[2709,null,"1h-purine-2,6-dione,3,7-dihydro-1,3,7,8-tetrame","832-66-6",null,"Cc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",null,"Cc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[2711,4163,"AMETRYNE","834-12-8","CCNc1nc(nc(n1)NC(C)C)SC","CCNc1nc(nc(n1)NC(C)C)SC","CCNc1nc(nc(n1)NC(C)C)SC","CCNc1nc(nc(n1)NC(C)C)SC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2712,1039,"L-TYROSINE, N-ACETYL-, ETHYL ESTER","840-97-1","CCOC(=O)C(Cc1ccc(cc1)O)NC(C)=O","CCOC(=O)C(Cc1ccc(cc1)O)NC(C)=O","CCOC(=O)C(Cc1ccc(cc1)O)N=C(C)O","CCOC(=O)C(Cc1ccc(cc1)O)N=C(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[2715,1264,"LORAZEPAM","846-49-1","O=C1C(N=C(c2c(N1)ccc(Cl)c2)c3c(cccc3)Cl)O","O=C1C(N=C(c2c(N1)ccc(Cl)c2)c3c(cccc3)Cl)O","O=C1C(N=C(c2c(N1)ccc(Cl)c2)c3c(cccc3)Cl)O","O=C1C(N=C(c2c(N1)ccc(Cl)c2)c3c(cccc3)Cl)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2716,4595,"androst-5-en-17-one,3-(acetyloxy),3-beta-","853-23-6",null,"CC(=O)OC1CC=2C(CC1)(C3C(CC2)C4C(C(CC4)=O)(C)CC3)C",null,"CC(=O)OC1CC=2C(CC1)(C3C(CC2)C4C(C(CC4)=O)(C)CC3)C",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[2718,4615,"phosphonicacid,(trichloromethyl)-,diethylest","866-23-9",null,"CCOP(=O)(OCC)C(Cl)(Cl)Cl",null,"CCOP(=O)(OCC)C(Cl)(Cl)Cl",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[2719,3149,"Potassium Citrate","866-84-2","O=C(O)CC(O)(CC(=O)O)C(=O)O","O=C(O)CC(O)(CC(=O)O)C(=O)O",null,"O=C(O)CC(O)(CC(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"427, 3682"]
[2721,3182,"allylidenediacetate","869-29-4","C=CC(CC(=O)O)CC(=O)O","C=CC(OC(C)=O)OC(C)=O","C=CC(OC(C)=O)OC(C)=O","C=CC(OC(C)=O)OC(C)=O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[2722,2781,"Acetamide, N,N'-1,2-ethanediylbis-","871-78-3","CC(=O)NCCNC(C)=O","CC(=O)NCCNC(C)=O","CC(=O)NCCNC(C)=O","CC(=O)NCCNC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2724,2693,"N-METHYLPYRROLIDONE","872-50-4","CN1C(CCC1)=O","CN1C(CCC1)=O","CN1C(CCC1)=O","CN1C(CCC1)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2725,3150,"2-ETHYLTHIOPHENE","872-55-9","CCc1sccc1","CCc1sccc1",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[2728,3900,"Potassium Biphthalate","877-24-7","O=C(O)c1c(cccc1)C(=O)O","O=C(O)c1c(cccc1)C(=O)O","O=C(O)c1c(cccc1)C(=O)O","O=C(O)c1c(cccc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"626"]
[2729,3165,"2,3,4,5-TETRACHLORONITROBENZENE","879-39-0","O=[N+]([O-])c1c(c(c(c(c1)Cl)Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(c(c1)Cl)Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(c(c1)Cl)Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(c(c1)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2731,956,"4-PHENYL-2-NITROPHENOL","885-82-5","O=[N+]([O-])c1c(ccc(c1)-c2ccccc2)O","O=[N+]([O-])c1c(ccc(c1)-c2ccccc2)O",null,"O=[N+]([O-])c1c(ccc(c1)-c2ccccc2)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2732,209,"TERBUTRYN","886-50-0","CCNc1nc(nc(n1)NC(C)(C)C)SC","CCNc1nc(nc(n1)NC(C)(C)C)SC","CCNc1nc(nc(n1)NC(C)(C)C)SC","CCNc1nc(nc(n1)NC(C)(C)C)SC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2734,1462,"3-Nitrofluoranthene","892-21-7","O=[N+]([O-])c1c2c3c(cc1)-c4c(-c3ccc2)cccc4","O=[N+]([O-])c1c2c3c(cc1)-c4c(-c3ccc2)cccc4","O=[N+]([O-])c1c2c3c(cc1)-c4c(-c3ccc2)cccc4","O=[N+]([O-])c1c2c3c(cc1)-c4c(-c3ccc2)cccc4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2735,null,"FENTIN ACETATE","900-95-8",null,null,"CC(=O)O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3","CC(=O)O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3",2,0,2,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[2737,1782,"Methacycline","914-00-1","C=C1C2C(=C(c3c1cccc3O)O)C(=O)C4(C(C(C(C(C4=O)=C(N)O)=O)N(C)C)C2O)O","C=C1C2C(=C(c3c1cccc3O)O)C(=O)C4(C(C(C(C(C4=O)=C(N)O)=O)N(C)C)C2O)O","C=C1C2C(C(c3c1cccc3O)=O)=C(O)C4(C(C(C(=C(C4=O)C(N)=O)O)N(C)C)C2O)O","C=C1C2C(C(c3c1cccc3O)=O)=C(O)C4(C(C(C(=C(C4=O)C(N)=O)O)N(C)C)C2O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[2738,3306,"AMIDOTHION","919-76-6","COCCNC(=O)CSP(=S)(OC)OC","COCCNC(=O)CSP(=S)(OC)OC",null,"COCCNC(=O)CSP(=S)(OC)OC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2741,4156,"Hexanedioic acid, 2,3,3-trimethyl-","920-79-6","CC(C(=O)O)C(C)(C)CCC(=O)O",null,"CC(C(=O)O)C(C)(C)CCC(=O)O","CC(C(=O)O)C(C)(C)CCC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2742,2299,"Bromosuccinic acid","923-06-8","O=C(O)CC(Br)C(=O)O","O=C(O)CC(Br)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[2744,3798,"N-NITROSODIBUTYLAMINE","924-16-3","CCCCN(CCCC)N=O","CCCCN(CCCC)N=O","CCCCN(CCCC)N=O","CCCCN(CCCC)N=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2745,2371,"N-(Hydroxymethyl)acrylamide","924-42-5","C=CC(=O)NCO","C=CC(=O)NCO","C=CC(=O)NCO","C=CC(=O)NCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2747,null,"Lactic acid, O-ester with S-ethyl dithiocarbonat","924-62-9",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[2748,217,"Butanamide, N,N'-1,2-ethanediylbis-","925-49-5","CCCC(=O)NCCNC(=O)CCC","CCCC(=O)NCCNC(=O)CCC","CCCC(=O)NCCNC(=O)CCC","CCCC(=O)NCCNC(=O)CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2750,2357,"ethanol,2-bromo-,acetate","927-68-4","OCCBr","CC(=O)OCCBr","CC(=O)OCCBr","CC(=O)OCCBr",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[2751,2458,"BUTYL NITRATE","928-45-0","CCCCO[N+](=O)[O-]","CCCCO[N+](=O)[O-]","CCCCO[N+](=O)[O-]","CCCCO[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2754,2779,"N-NITROSOHEXAMETHYLENEIMINE","932-83-2","O=NN1CCCCCC1","O=NN1CCCCCC1","O=NN1CCCCCC1","O=NN1CCCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2755,2957,"2,3,6-TRICHLOROPHENOL","933-75-5","Oc1c(c(ccc1Cl)Cl)Cl","Oc1c(c(ccc1Cl)Cl)Cl","Oc1c(c(ccc1Cl)Cl)Cl","Oc1c(c(ccc1Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2757,3744,"2-AZACYCLO-NONANONE","935-30-8","O=C1NCCCCCCC1","O=C1NCCCCCCC1",null,"O=C1NCCCCCCC1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2758,3533,"2,3-DIHYDRO-1,2-BENZISOTHIAZOLE-1,1-DIOXIDE","936-16-3","O=S1(c2c(CN1)cccc2)=O","O=S1(c2c(CN1)cccc2)=O",null,"O=S1(c2c(CN1)cccc2)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2760,3621,"N-BENZYL-N-METHYLNITROSOAMINE","937-40-6","CN(Cc1ccccc1)N=O","CN(Cc1ccccc1)N=O",null,"CN(Cc1ccccc1)N=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2761,4225,"2H-1-Benzopyran-2-one, 4-bromo-","938-40-9","O=c1oc2c(c(c1)Br)cccc2",null,"O=c1oc2c(c(c1)Br)cccc2","O=c1oc2c(c(c1)Br)cccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2763,569,"2-ETHYLNAPHTHALENE","939-27-5","CCc1cc2c(cc1)cccc2","CCc1cc2c(cc1)cccc2","CCc1cc2c(cc1)cccc2","CCc1cc2c(cc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2764,4044,"P-METHYLPHENOXYACETIC ACID","940-64-7","Cc1ccc(cc1)OCC(=O)O","Cc1ccc(cc1)OCC(=O)O","Cc1ccc(cc1)OCC(=O)O","Cc1ccc(cc1)OCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2767,3879,"Benzene, 1,2,3,4-tetrachloro-5,6-dimethoxy-","944-61-6","COc1c(c(c(c(c1Cl)Cl)Cl)Cl)OC","COc1c(c(c(c(c1Cl)Cl)Cl)Cl)OC","COc1c(c(c(c(c1Cl)Cl)Cl)Cl)OC","COc1c(c(c(c(c1Cl)Cl)Cl)Cl)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2768,3252,"CYOLANE","947-02-4","CCOP(=O)(N=C1SCCS1)OCC","CCOP(=O)(N=C1SCCS1)OCC","CCOP(=O)(N=C1SCCS1)OCC","CCOP(=O)(N=C1SCCS1)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2770,null,"phosphoramidicacid,(4-methyl-1,3-dithiolan-2-y","950-10-7",null,"CCOP(=O)(N=C1SC(CS1)C)OCC",null,"CCOP(=O)(N=C1SC(CS1)C)OCC",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[2771,2754,"METHIDATHION","950-37-8","COc1sc(n(n1)CSP(=S)(OC)OC)=O","COc1sc(n(n1)CSP(=S)(OC)OC)=O","COc1sc(n(n1)CSP(=S)(OC)OC)=O","COc1sc(n(n1)CSP(=S)(OC)OC)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2773,null,"porphazinamide","952-54-5",null,"O=C(NCN1CCOCC1)c2nccnc2",null,"O=C(NCN1CCOCC1)c2nccnc2",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[2774,4087,"CARBOPHENOTHION-METHYL","953-17-3",null,"COP(=S)(OC)SCSc1ccc(cc1)Cl","COP(=S)(OC)SCSc1ccc(cc1)Cl","COP(=S)(OC)SCSc1ccc(cc1)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2776,4231,"A-ENDOSULFAN","959-98-8",null,"O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","1280, 4558"]
[2777,328,"STIROFOS","961-11-5","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","4315, 4318"]
[2780,null,"9,10-Anthracenedicarboxylic acid, 9,10-dihydro-,","963-85-9",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[2781,null,"9,10-Anthracenedicarboxylic acid, 9,10-dihydro-,","963-86-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[2783,1834,"Medrogestone","977-79-7","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C","CC(=O)C1(C2(C(CC1)C3C(C4(C(C(=C3)C)=CC(=O)CC4)C)CC2)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[2784,2037,"NORBORMIDE","991-42-4","O=C1C2C(C(N1)=O)C3C(C2C=C3C(O)(c4ccccc4)c5ncccc5)=C(c6ccccc6)c7ncccc7","O=C1C2C(C(N1)=O)C3C(C2C=C3C(O)(c4ccccc4)c5ncccc5)=C(c6ccccc6)c7ncccc7","O=C1C2C(C(N1)=O)C3C(C2C=C3C(O)(c4ccccc4)c5ncccc5)=C(c6ccccc6)c7ncccc7","O=C1C2C(C(N1)=O)C3C(C2C=C3C(O)(c4ccccc4)c5ncccc5)=C(c6ccccc6)c7ncccc7",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Differences in counterions",""]
[2786,2578,"N,N-Dimethylisopropylamine","996-35-0","CC(C)N(C)C","CC(C)N(C)C","CC(C)N(C)C","CC(C)N(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2787,2376,"Acetic acid, (nitrooxy)-, ethyl ester","999-17-7","CCOC(=O)CO[N+](=O)[O-]",null,"CCOC(=O)CO[N+](=O)[O-]","CCOC(=O)CO[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2790,1994,"HYDROXYMETHYL UREA","1000-82-4","NC(=O)NCO","NC(=O)NCO","NC(=O)NCO","NC(=O)NCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2791,2535,"1-PENTYL NITRATE","1002-16-0","CCCCCO[N+](=O)[O-]","CCCCCO[N+](=O)[O-]","CCCCCO[N+](=O)[O-]","CCCCCO[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2793,3107,"4-METHYL-N-OXIDEPYRIDINE","1003-67-4","Cc1cc[n+](cc1)[O-]","Cc1cc[n+](cc1)[O-]",null,"Cc1cc[n+](cc1)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2794,3108,"3-METHYL-N-OXIDEPYRIDINE","1003-73-2","CC1=CC=C[NH+2]([O-])[CH-]1","CC1=CC=C[NH+2]([O-])[CH-]1",null,"Cc1c[n+](ccc1)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2796,211,"Azacycloundecan-2-one","1009-89-8","O=C1NCCCCCCCCC1","O=C1NCCCCCCCCC1","O=C1NCCCCCCCCC1","O=C1NCCCCCCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2797,3741,"DESMETRYNE","1014-69-3","CNc1nc(nc(n1)NC(C)C)SC","CNc1nc(nc(n1)NC(C)C)SC","CNc1nc(nc(n1)NC(C)C)SC","CNc1nc(nc(n1)NC(C)C)SC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2799,4448,"1h-purine-2,6-dione,7-butyl-3,7-dihydro-1,3-dim","1021-65-4",null,"CCCCn1c2c(nc1)n(c(n(c2=O)C)=O)C",null,"CCCCn1c2c(nc1)n(c(n(c2=O)C)=O)C",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[2800,4549,"4h-3,1-benzoxazin-4-one,2-phenyl","1022-46-4",null,"O=c1c2c(nc(o1)-c3ccccc3)cccc2",null,"O=c1c2c(nc(o1)-c3ccccc3)cccc2",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[2803,null,"phosphonicdiamide,p-(5-amino-3-phenyl-1h-1,2,4","1031-47-6",null,"CN(C)P(=O)(N(C)C)n1c(nc(n1)-c2ccccc2)N",null,"CN(C)P(=O)(N(C)C)n1c(nc(n1)-c2ccccc2)N",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[2804,3892,"Glycine, N-(2,4,6-trinitrophenyl)-","1032-44-6","O=C(O)CNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",null,"O=C(O)CNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","O=C(O)CNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2806,null,"1-butanone,1-(4-fluorophenyl)-4-[4-hydroxy-4-(4","1050-79-9",null,"Cc1ccc(cc1)C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O",null,"Cc1ccc(cc1)C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[2807,null,"DIMETHYLSILANEDIOL","1066-42-8","C[Si](C)(O)O","C[Si](C)(O)O","C[Si](C)(O)O","C[Si](C)(O)O",4,0,0,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[2809,null,"DI-n-BUTYL TIN DIACETATE","1067-33-0","CCCC[Sn+2]CCCC",null,"CCCC[Sn](CCCC)(OC(C)=O)OC(C)=O","CCCC[Sn](CCCC)(OC(C)=O)OC(C)=O",2,1,1,"NO","YES",null,null,"Eliminate","-","Unusual elements, Missing/ambiguous"]
[2810,3331,"D-glycero-D-gulo-Heptitol","1069-00-7","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",null,null,2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed, Checked on PubChem","1868, 3371, 1997"]
[2812,1921,"1,3,4-THIADIAZOLIDINE-2,5-DITHIONE","1072-71-5","S=c1sc([nH][nH]1)=S","S=c1sc([nH][nH]1)=S","Sc1sc(nn1)S","Sc1sc(nn1)S",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2813,2980,"1-bromo-2-fluorobenzene","1072-85-1","Fc1c(cccc1)Br","Fc1c(cccc1)Br","Fc1c(cccc1)Br","Fc1c(cccc1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2816,664,"N-HEXYLBENZENE","1077-16-3","CCCCCCc1ccccc1","CCCCCCc1ccccc1","CCCCCCc1ccccc1","CCCCCCc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2817,1060,"1-PHENYLHEPTANE","1078-71-3","CCCCCCCc1ccccc1","CCCCCCCc1ccccc1","CCCCCCCc1ccccc1","CCCCCCCc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2819,4076,"Glycine, N-[(4-methylphenyl)sulfonyl]-","1080-44-0","Cc1ccc(cc1)S(=O)(=O)NCC(=O)O","Cc1ccc(cc1)S(=O)(=O)NCC(=O)O","Cc1ccc(cc1)S(=O)(=O)NCC(=O)O","Cc1ccc(cc1)S(=O)(=O)NCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2820,1047,"HEXYL P-HYDROXYBENZOATE","1083-27-8","CCCCCCOC(=O)c1ccc(cc1)O","CCCCCCOC(=O)c1ccc(cc1)O","CCCCCCOC(=O)c1ccc(cc1)O","CCCCCCOC(=O)c1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2822,4054,"DICHLOFLUANID","1085-98-9","CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1","CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1","CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1","CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2823,1873,"Prednisolone 21-trimethylacetate","1107-99-9","CC(C)(C)C(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O","CC(C)(C)C(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O","CC(C)(C)C(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O","CC(C)(C)C(=O)OCC(=O)C1(C2(C(CC1)C3C(C4(C(CC3)=CC(=O)C=C4)C)C(O)C2)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[2825,233,"PEBULATE","1114-71-2","CCCCN(CC)C(=O)SCCC","CCCCN(CC)C(=O)SCCC","CCCCN(CC)C(=O)SCCC","CCCCN(CC)C(=O)SCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2826,3236,"DL-Methionine, N-acetyl-","1115-47-5","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","238, 2918"]
[2829,4661,"Heptanoic acid, 2-amino-, (.+-.)-","1115-90-8",null,"CCCCCC(N)C(=O)O",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[2830,2221,"N-NITROSODIETHANOLAMINE","1116-54-7","O=NN(CCO)CCO","O=NN(CCO)CCO","O=NN(CCO)CCO","O=NN(CCO)CCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2832,2546,"Urea, (1,1-dimethylethyl)-","1118-12-3","CC(C)(C)NC(N)=O","CC(C)(C)NC(N)=O","CC(C)(C)NC(N)=O","CC(C)(C)NC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2833,null,"1,3-Disiloxanediol, 1,1,3,3-tetramethyl-","1118-15-6","C[Si](C)(O)O[Si](C)(C)O","C[Si](C)(O)O[Si](C)(C)O","C[Si](C)(O)O[Si](C)(C)O","C[Si](C)(O)O[Si](C)(C)O",4,0,0,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[2835,2742,"4,5-Dithia-octandioic acid","1119-62-6","O=C(O)CCSSCCC(=O)O","O=C(O)CCSSCCC(=O)O",null,"O=C(O)CCSSCCC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2836,3193,"2-Heptyne","1119-65-9","CC#CCCCC","CC#CCCCC","CC#CCCCC","CC#CCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2557, 3324"]
[2838,3676,"2,4,5-TRIMETHYLPYRIDINE","1122-39-0","Cc1ncc(c(c1)C)C","Cc1ncc(c(c1)C)C","Cc1ncc(c(c1)C)C","Cc1ncc(c(c1)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2839,3170,"4-DIMETHYLAMINOPYRIDINE","1122-58-3","CN(C)c1ccncc1","CN(C)c1ccncc1",null,"CN(C)c1ccncc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2842,3984,"Phenol, 4-chloro-2,6-dimethyl-","1123-63-3","Cc1c(c(cc(c1)Cl)C)O","Cc1c(c(cc(c1)Cl)C)O","Cc1c(c(cc(c1)Cl)C)O","Cc1c(c(cc(c1)Cl)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2843,70,"2-NAPHTHALENOL, 5,6,7,8-TETRAHYDRO-","1125-78-6","Oc1cc2c(cc1)CCCC2","Oc1cc2c(cc1)CCCC2",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[2845,2963,"Pteridine, 7-chloro-","1125-84-4","Clc1nc2c(nc1)cncn2",null,"Clc1nc2c(nc1)cncn2","Clc1nc2c(nc1)cncn2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2846,4030,"1,2-Benzenediol, 4-(2-propenyl)-","1126-61-0","C=CCc1cc(c(cc1)O)O","C=CCc1cc(c(cc1)O)O",null,"C=CCc1cc(c(cc1)O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"5179"]
[2848,4703,"n-methyl-m-tolylcarbamate","1129-41-5","Cc1cc(ccc1)N(C)C(=O)O","CNC(=O)Oc1cc(ccc1)C",null,"CN=C(O)Oc1cc(ccc1)C",2,1,1,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[2849,29,"1H-Pyrazol-5-amine, 3-methyl-1-phenyl-","1131-18-6","Cc1nn(c(c1)N)-c2ccccc2","Cc1nn(c(c1)N)-c2ccccc2","Cc1nn(c(c1)N)-c2ccccc2","Cc1nn(c(c1)N)-c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2852,null,"DIPHENYLTIN DICHLORIDE","1135-99-5","Cl[Sn](Cl)(c1ccccc1)c2ccccc2",null,"Cl[Sn](Cl)(c1ccccc1)c2ccccc2","Cl[Sn](Cl)(c1ccccc1)c2ccccc2",3,0,1,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[2853,449,"1-Butyl Theobromine","1143-30-2","CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O","CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",null,"CCCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2855,3599,"SULFATOLAMIDE","1161-88-2","NC(=S)NS(=O)(=O)c1ccc(cc1)N","NC(=S)NS(=O)(=O)c1ccc(cc1)N","NC(=S)NS(=O)(=O)c1ccc(cc1)N","NC(=S)NS(=O)(=O)c1ccc(cc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Organic counterion","1969"]
[2856,1843,"DEXAMETHASONE-21-ACETATE","1177-87-3","CC(=O)OCC(=O)C1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O","CC(=O)OCC(=O)C1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[2858,2882,"2,2-DIMETHYL-1-BUTANOL","1185-33-7","CCC(C)(C)CO","CCC(C)(C)CO","CCC(C)(C)CO","CCC(C)(C)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2859,3216,"Butanedioic acid, 2-ethyl-3-methyl-","1186-78-3","CCC(C(=O)O)C(C)C(=O)O",null,"CCC(C(=O)O)C(C)C(=O)O","CCC(C(=O)O)C(C)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2861,2377,"3-hydroxy-aspartic acid","1186-90-9","NC(C(=O)O)C(O)C(=O)O","NC(C(=O)O)C(O)C(=O)O","NC(C(=O)O)C(O)C(=O)O","NC(C(=O)O)C(O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[2862,4194,"UREA, TETRAETHYL-","1187-03-7","CCN(CC)C(=O)N(CC)CC","CCN(CC)C(=O)N(CC)CC","CCN(CC)C(=O)N(CC)CC","CCN(CC)C(=O)N(CC)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2865,2822,"1,3-DIOXOLANE, 2,2,4-TRIMETHYL-","1193-11-9","CC1OC(OC1)(C)C","CC1OC(OC1)(C)C",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[2866,2291,"4,6-Dihydroxypryimidine","1193-24-4",null,"O=c1[nH]cnc(c1)O","Oc1ncnc(c1)O","Oc1ncnc(c1)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2868,3479,"2,5-Dihydroxybenzaldehyde","1194-98-5","O=Cc1c(ccc(c1)O)O","O=Cc1c(ccc(c1)O)O","O=Cc1c(ccc(c1)O)O","O=Cc1c(ccc(c1)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2869,3745,"Tranexamic acid","1197-18-8","NCC1CCC(CC1)C(=O)O","NCC1CCC(CC1)C(=O)O","NCC1CCC(CC1)C(=O)O","NCC1CCC(CC1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2871,2939,"TETRACHLORO-1,2-BENZENEDIOL","1198-55-6","Oc1c(c(c(c(c1O)Cl)Cl)Cl)Cl","Oc1c(c(c(c(c1O)Cl)Cl)Cl)Cl","Oc1c(c(c(c(c1O)Cl)Cl)Cl)Cl","Oc1c(c(c(c(c1O)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2872,4449,"n,n-dime-n-g-phenylpropylamine","1199-99-1",null,"CN(C)CCCc1ccccc1",null,"CN(C)CCCc1ccccc1",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[2874,4395,"methyln-benzoglycine","1205-08-9",null,"COC(=O)CNC(=O)c1ccccc1",null,"COC(=O)CNC(=O)c1ccccc1",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[2875,994,"10H-phenothiazine, 10-methyl-","1207-72-3","CN1c2c(Sc3c1cccc3)cccc2","CN1c2c(Sc3c1cccc3)cccc2","CN1c2c(Sc3c1cccc3)cccc2","CN1c2c(Sc3c1cccc3)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2878,1578,"Galaxolide","1222-05-5","CC1c2c(COC1)cc3C(C(C(c3c2)(C)C)C)(C)C","CC1c2c(COC1)cc3C(C(C(c3c2)(C)C)C)(C)C","CC1c2c(COC1)cc3C(C(C(c3c2)(C)C)C)(C)C","CC1c2c(COC1)cc3C(C(C(c3c2)(C)C)C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2879,1731,"Homidium bromide","1239-45-8","CC[n+]1c2c(c3c(c1-c4ccccc4)cc(N)cc3)ccc(N)c2","CC[n+]1c2c(c3c(c1-c4ccccc4)cc(N)cc3)ccc(N)c2","CC[n+]1c2c(c3c(c1-c4ccccc4)cc(N)cc3)ccc(N)c2","CC[n+]1c2c(c3c(c1-c4ccccc4)cc(N)cc3)ccc(N)c2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2881,null,"3h-pyrazol-3-one,4,4'-methylenebis[1,2-dihydro-","1251-85-0","O=c1c(c[nH][nH]1)Cc2c([nH][nH]c2)=O","Cc1n(n(c(c1Cc2c(n(n(c2C)C)-c3ccccc3)=O)=O)-c4ccccc4)C",null,"Cc1n(n(c(c1Cc2c(n(n(c2C)C)-c3ccccc3)=O)=O)-c4ccccc4)C",2,1,1,"NO","NO",2,1,"Eliminate","-","Manual Check failed"]
[2882,1778,"CARMINIC ACID","1260-17-9","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O","Cc1c2c(cc(c1C(=O)O)O)C(c3c(C2=O)c(O)c(C4C(C(C(C(O4)CO)O)O)O)c(O)c3O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","2896"]
[2884,null,"XYLIDINE","1300-73-8","Cc1c(c(ccc1)N)C","Cc1c(c(ccc1)N)C","*C","*C",2,0,2,"NO","NO",2,0,"Eliminate","-","Organic counterion, Manual Check failed"]
[2885,null,"DIIODOSALICYLIC ACID","1321-04-6","O=C(O)c1c(c(ccc1)I)OI","O=C(O)c1c(c(cc(c1)I)I)O",null,null,0,2,2,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[2887,null,"TRICHLORONAPHTHALENES","1321-65-9",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[2888,null,"METHYL NAPHTHALENES (mixture of isomers)","1321-94-4",null,"Cc1c2c(ccc1)cccc2",null,"*C",1,0,3,"NO","NO",null,null,"Eliminate","-","Mixture"]
[2891,null,"METHYLCYCLOHEXANONE","1331-22-2","CC1C(CCCC1)=O","CC1CCC(CC1)=O",null,null,0,2,2,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[2892,null,"TETRAMETHYL DECYNEDIOL","1333-17-1","CCCCCC(C)C(C)(C)C#CC(C)(O)O","CC(C)C(C)C(C)C(O)C#CC(C)C(C)O","CC(C)CC(C)(O)C#CC(C)(O)CC(C)C",null,0,3,1,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[2894,3958,"ANISIC ACID","1335-08-6","COc1ccc(cc1)C(=O)O","COc1ccc(cc1)C(=O)O","COc1ccc(cc1)C(=O)O",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"869"]
[2895,null,"PCBS","1336-36-3","O=S(=O)(Oc1ccc(cc1)Cl)c2ccccc2","Clc1c(c(cc(c1)-c2cc(c(c(c2)Cl)Cl)Cl)Cl)Cl","*c1c(*)c(*)c(-c2c(*)c(*)c(*)c(*)c2*)c(*)c1*","*c1c(*)c(*)c(-c2c(*)c(*)c(*)c(*)c2*)c(*)c1*",0,2,2,"YES","NO",null,null,"Eliminate","-","Stereochemistry removed, Organic counterion, Missing/ambiguous"]
[2897,null,"Nystatin","1400-61-9","CC1C(C(C(OC(CC(CC(CC(CCC(C(CC(CC(C(C(CC(C=CC=CC=CC=CCCC=CC=C1)OC2C(C(C(C(O2)C)O)N)O)O)C(=O)O)O)=O)O)O)O)O)O)=O)C)C)O","CC1C(C(C(OC(CC(CC(CC(CCC(C(CC2(OC(CC(C=CC=CC=CC=CCCC=CC=C1)OC3C(C(C(C(O3)C)O)N)O)C(C(C2)O)C(=O)O)O)O)O)O)O)O)=O)C)C)O",null,null,0,2,2,"YES","NO",null,null,"Eliminate","-","Stereochemistry removed, Missing/ambiguous"]
[2898,1739,"ALOIN","1415-73-2","O=C1c2c(C(c3c1c(O)ccc3)C4C(C(C(C(O4)CO)O)O)O)cc(CO)cc2O","O=C1c2c(C(c3c1c(O)ccc3)C4C(C(C(C(O4)CO)O)O)O)cc(CO)cc2O",null,"O=C1c2c(C(c3c1c(O)ccc3)C4C(C(C(C(O4)CO)O)O)O)cc(CO)cc2O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[2900,1823,"TRIFENMORPH","1420-06-0","c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCOCC4","c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCOCC4","c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCOCC4","c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCOCC4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2901,61,"Dinoterb","1420-07-1","CC(C)(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","CC(C)(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","CC(C)(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O","CC(C)(C)c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2904,3072,"2-PYRIDINECARBOXAMIDE","1452-77-3","NC(=O)c1ncccc1","NC(=O)c1ncccc1","NC(=O)c1ncccc1","NC(=O)c1ncccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2905,1532,"HEPTADECYL ALCOHOL","1454-85-9","CCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2907,19,"DIMETHYL ISOPHTHALATE","1459-93-4","COC(=O)c1cc(ccc1)C(=O)OC","COC(=O)c1cc(ccc1)C(=O)OC","COC(=O)c1cc(ccc1)C(=O)OC","COC(=O)c1cc(ccc1)C(=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2908,null,"TRIBUTYLCHLOROSTANNANE","1461-22-9","CCCC[Sn](Cl)(CCCC)CCCC",null,"CCCC[Sn](Cl)(CCCC)CCCC","CCCC[Sn](Cl)(CCCC)CCCC",3,0,1,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[2910,657,"BETA-D-GLUCOPYRANOSIDE, PHENYL","1464-44-4","OCC1C(C(C(C(O1)Oc2ccccc2)O)O)O","OCC1C(C(C(C(O1)Oc2ccccc2)O)O)O","OCC1C(C(C(C(O1)Oc2ccccc2)O)O)O","OCC1C(C(C(C(O1)Oc2ccccc2)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[2911,2336,"diepoxybutane","1464-53-5","CCC12C(O1)O2","C1C(O1)C2OC2","C1C(O1)C2OC2","C1C(O1)C2OC2",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem","1692, 2183, 4497, 4505"]
[2913,2320,"1,4-DICHLORO-2-BUTENE(CIS)","1476-11-5",null,"ClCC=CCCl","ClCC=CCCl","ClCC=CCCl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","1179, 2680"]
[2914,null,"piperidine,3-ethyl-,","1484-80-6",null,"CCC1NCCCC1",null,"CCC1NCCCC1",2,0,2,"NO","NO",2,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[2917,null,"2-(acetyloxy)-4-bromo-benzoicacid","1503-53-3","CC(=O)Oc1c(ccc(c1)Br)C(=O)O","CC(=O)Oc1c(cc(cc1)Br)C(=O)O",null,"CC(=O)Oc1c(cc(cc1)Br)C(=O)O",2,1,1,"NO","NO",2,1,"Eliminate","-","Manual Check failed"]
[2918,3236,"D-Methionine, N-acetyl-","1509-92-8","CSCCC(NC(C)=O)C(=O)O","CSCCC(NC(C)=O)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem","238, 2826"]
[2920,null,"TRIMETHYL LEAD CHLORIDE","1520-78-1","C[Pb](C)(C)Cl",null,"C[Pb+](C)C","C[Pb+](C)C",2,1,1,"NO","YES",null,null,"Eliminate","-","Unusual elements, Missing/ambiguous"]
[2921,3747,"N,N-DIETHYL SUCCINAMIC ACID","1522-00-5","CCN(CC)C(=O)CCC(=O)O","CCN(CC)C(=O)CCC(=O)O",null,"CCN(CC)C(=O)CCC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2923,null,"2-propenoicacid,2-methyl-,(1-methylethylidene","1565-94-2",null,"C=C(C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(cc2)OCC(O)COC(=O)C(=C)C",null,"C=C(C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(cc2)OCC(O)COC(=O)C(=C)C",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[2924,3625,"Urea, (4-methoxyphenyl)-","1566-42-3","COc1ccc(cc1)NC(N)=O","COc1ccc(cc1)NC(N)=O","COc1ccc(cc1)NC(N)=O","COc1ccc(cc1)NC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2927,2484,"3-PENTEN-2-OL","1569-50-2","CC=CC(C)O","CC=CC(C)O","CC=CC(C)O","CC=CC(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1055"]
[2928,3507,"2-METHYL-4-CHLOROPHENOL","1570-64-5","Cc1c(ccc(c1)Cl)O","Cc1c(ccc(c1)Cl)O","Cc1c(ccc(c1)Cl)O","Cc1c(ccc(c1)Cl)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2930,3122,"PHENYLPHOSPHONIC ACID","1571-33-1","O=P(O)(O)c1ccccc1","O=P(O)(O)c1ccccc1","O=P(O)(O)c1ccccc1","O=P(O)(O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2931,3558,"BENZAMIDE, 3-(AMINOSULFONYL)-","1576-42-7","NC(=O)c1cc(ccc1)S(N)(=O)=O",null,"NC(=O)c1cc(ccc1)S(N)(=O)=O","NC(=O)c1cc(ccc1)S(N)(=O)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2933,4602,"2,3-Dibromo-acrylic acid","1578-72-9","O=C(O)C(Br)=CBr",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[2934,1026,"TRIFLURALIN","1582-09-8","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2936,2222,"Urea, N,N''-ethylidenebis-","1589-36-2","CC(NC(N)=O)NC(N)=O",null,"CC(NC(=N)O)NC(=N)O","CC(NC(=N)O)NC(=N)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2937,3230,"Hydrazinecarboxamide, 2-cyclohexylidene-","1589-61-3","NC(=O)NN=C1CCCCC1","NC(=O)NN=C1CCCCC1","NC(=O)NN=C1CCCCC1","NC(=O)NN=C1CCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2940,null,"MERCURIC ACETATE","1600-27-7",null,"[Hg+2]","[Hg+2]","[Hg+2]",3,0,1,"NO","NO",null,null,"Eliminate","-","Unusual elements, Inorganic"]
[2941,2686,"Pentrinitrol","1607-17-6","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]","O=[N+]([O-])OCC(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2943,206,"PROMETON","1610-18-0","COc1nc(nc(n1)NC(C)C)NC(C)C","COc1nc(nc(n1)NC(C)C)NC(C)C","COc1nc(nc(n1)NC(C)C)NC(C)C","COc1nc(nc(n1)NC(C)C)NC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2944,2613,"2,4-Pentadienenitrile","1615-70-9","C=CC=CC#N","C=CC=CC#N","C=CC=CC#N","C=CC=CC#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[2946,2539,"Nereistoxin","1631-58-9","CN(C)C1CSSC1","CN(C)C1CSSC1","CN(C)C1CSSC1","CN(C)C1CSSC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2947,2566,"METHYL T-BUTYL ETHER","1634-04-4","COC(C)(C)C","COC(C)(C)C","COC(C)(C)C","COC(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2949,3332,"1-HEPTANETHIOL","1639-09-4","CCCCCCCS","CCCCCCCS","CCCCCCCS","CCCCCCCS",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2950,3249,"ALDICARB SULFOXIDE","1646-87-3","CNC(=O)ON=CC(C)(C)S(C)=O","CNC(=O)ON=CC(C)(C)S(C)=O","CNC(=O)ON=CC(C)(C)S(C)=O","CNC(=O)ON=CC(C)(C)S(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[2953,506,"2-UNDECANOL","1653-30-1","CCCCCCCCCC(C)O","CCCCCCCCCC(C)O","CCCCCCCCCC(C)O","CCCCCCCCCC(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2954,3816,"1-HEPTANOL, 6-METHYL-","1653-40-3","CC(C)CCCCCO","CC(C)CCCCCO","CC(C)CCCCCO","CC(C)CCCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"4434"]
[2956,1636,"DOXEPIN","1668-19-5","CN(C)CCC=C1c2c(OCc3c1cccc3)cccc2","CN(C)CCC=C1c2c(OCc3c1cccc3)cccc2","CN(C)CCC=C1c2c(OCc3c1cccc3)cccc2","CN(C)CCC=C1c2c(OCc3c1cccc3)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Differences in counterions",""]
[2957,3753,"ETHYLCYCLOHEXANE","1678-91-7","CCC1CCCCC1","CCC1CCCCC1","CCC1CCCCC1","CCC1CCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2959,13,"1(3H)ISOBENZOFURANONE-3,3-DIMETHYL","1689-09-4","CC1(c2c(C(O1)=O)cccc2)C","CC1(c2c(C(O1)=O)cccc2)C",null,"CC1(c2c(C(O1)=O)cccc2)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[2960,540,"P-PHENYLAZOPHENOL","1689-82-3","O=C1C=CC(C=C1)=NNc2ccccc2","O=C1C=CC(C=C1)=NNc2ccccc2","Oc1ccc(cc1)N=Nc2ccccc2","Oc1ccc(cc1)N=Nc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[2962,3341,"BROMOXYNIL","1689-84-5","N#Cc1cc(c(c(c1)Br)O)Br","N#Cc1cc(c(c(c1)Br)O)Br","N#Cc1cc(c(c(c1)Br)O)Br","N#Cc1cc(c(c(c1)Br)O)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2963,1322,"BROMOXYNIL OCTANOATE","1689-99-2","CCCCCCCC(=O)Oc1c(cc(cc1Br)C#N)Br","CCCCCCCC(=O)Oc1c(cc(cc1Br)C#N)Br","CCCCCCCC(=O)Oc1c(cc(cc1Br)C#N)Br","CCCCCCCC(=O)Oc1c(cc(cc1Br)C#N)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2966,2948,"3,6-DICHLOROPICOLINIC ACID","1702-17-6","O=C(O)c1c(ccc(n1)Cl)Cl","O=C(O)c1c(ccc(n1)Cl)Cl","O=C(O)c1c(ccc(n1)Cl)Cl","O=C(O)c1c(ccc(n1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2967,4674,"Butane-1,2,3,4-tetracarboxylic acid, racemic","1703-58-8",null,"O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[2969,null,"4-Hydroxy-butyraldehyde-<2,4-dinitro-phenylhydra","1708-33-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[2970,2176,"ISOPROPYL NITRATE","1712-64-7","CC(C)O[N+](=O)[O-]","CC(C)O[N+](=O)[O-]","CC(C)O[N+](=O)[O-]","CC(C)O[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2972,1118,"1-METHYLFLUORENE","1730-37-6","Cc1c2c(ccc1)-c3c(C2)cccc3","Cc1c2c(ccc1)-c3c(C2)cccc3","Cc1c2c(ccc1)-c3c(C2)cccc3","Cc1c2c(ccc1)-c3c(C2)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2973,968,"10H-Phenothiazine, 2-chloro-7-methoxy-","1730-44-5","COc1cc2c(cc1)Nc3c(S2)ccc(Cl)c3","COc1cc2c(cc1)Nc3c(S2)ccc(Cl)c3","COc1cc2c(cc1)Nc3c(S2)ccc(Cl)c3","COc1cc2c(cc1)Nc3c(S2)ccc(Cl)c3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2975,1413,"1,2,3,6,7,8-Hexahydropyrene","1732-13-4","c1c2c3c4c(c1)CCCc4ccc3CCC2","c1c2c3c4c(c1)CCCc4ccc3CCC2","c1c2c3c4c(c1)CCCc4ccc3CCC2","c1c2c3c4c(c1)CCCc4ccc3CCC2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2976,1715,"Dehydroabietic acid","1740-19-8","CC(C)c1cc2c(cc1)C3(C(CC2)C(C)(C(=O)O)CCC3)C","CC(C)c1cc2c(cc1)C3(C(CC2)C(C)(C(=O)O)CCC3)C","CC(C)c1cc2c(cc1)C3(C(CC2)C(C)(C(=O)O)CCC3)C","CC(C)c1cc2c(cc1)C3(C(CC2)C(C)(C(=O)O)CCC3)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[2979,4058,"MONOLINURON","1746-81-2","CON(C)C(=O)Nc1ccc(cc1)Cl","CON(C)C(=O)Nc1ccc(cc1)Cl","CON(C)C(=O)Nc1ccc(cc1)Cl","CON(C)C(=O)Nc1ccc(cc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2980,539,"NICOTINANILIDE","1752-96-1","O=C(Nc1ccccc1)c2cnccc2","O=C(Nc1ccccc1)c2cnccc2","O=C(Nc1ccccc1)c2cnccc2","O=C(Nc1ccccc1)c2cnccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2982,2441,"l-alanine,n-(aminoiminomethyl)-","1758-74-3","CC(NC=NN)C(=O)O","CC(N=C(N)N)C(=O)O","CC(NC(=N)N)C(=O)O","CC(NC(=N)N)C(=O)O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Name verified in PubChem",""]
[2983,3380,"Benzaldehyde, 5-bromo-2-hydroxy-","1761-61-1","O=Cc1c(ccc(c1)Br)O","O=Cc1c(ccc(c1)Br)O","O=Cc1c(ccc(c1)Br)O","O=Cc1c(ccc(c1)Br)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2985,3443,"BENZENEMETHANOL, 2,4-DICHLORO-","1777-82-8","OCc1c(cc(cc1)Cl)Cl","OCc1c(cc(cc1)Cl)Cl","OCc1c(cc(cc1)Cl)Cl","OCc1c(cc(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2986,null,"Phenylphosphinic acid","1779-48-2","O=P(O)c1ccccc1","O=[P+](O)c1ccccc1","O=P(O)c1ccccc1","O=P(O)c1ccccc1",3,1,0,"NO","YES",null,null,"Eliminate","-","Missing/ambiguous"]
[2989,3442,"3,4-DICHLOROBENZYL ALCOHOL","1805-32-9","OCc1cc(c(cc1)Cl)Cl","OCc1cc(c(cc1)Cl)Cl","OCc1cc(c(cc1)Cl)Cl","OCc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2990,null,"DIBUTYL PHOSPHITE","1809-19-4","CCCCOP(O)OCCCC","CCCCO[P+](=O)OCCCC","CCCCOP(=O)OCCCC","CCCCOP(=O)OCCCC",3,1,0,"NO","YES",null,null,"Eliminate","-","Missing/ambiguous"]
[2992,267,"1,5-DICHLORONAPHTHALENE","1825-30-5","Clc1c2c(ccc1)c(Cl)ccc2","Clc1c2c(ccc1)c(Cl)ccc2","Clc1c2c(ccc1)c(Cl)ccc2","Clc1c2c(ccc1)c(Cl)ccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2993,268,"1,4-DICHLORONAPHTHALENE","1825-31-6","Clc1c2c(c(cc1)Cl)cccc2","Clc1c2c(c(cc1)Cl)cccc2","Clc1c2c(c(cc1)Cl)cccc2","Clc1c2c(c(cc1)Cl)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2995,null,"2-[(6-chloro-3-pyridazinyl)thio]-n,n-diethylacet","1830-32-6",null,"CCN(CC)C(=O)CSc1nnc(cc1)Cl",null,"CCN(CC)C(=O)CSc1nnc(cc1)Cl",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[2996,863,"NITROFEN","1836-75-5","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)Cl)Cl","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)Cl)Cl","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)Cl)Cl","O=[N+]([O-])c1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2998,3812,"4-Heptanol, 3-methyl-","1838-73-9","CCCC(O)C(C)CC","CCCC(O)C(C)CC","CCCC(O)C(C)CC","CCCC(O)C(C)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[2999,1886,"Fluspirilene","1841-19-6","O=C1C2(N(CN1)c3ccccc3)CCN(CC2)CCCC(c4ccc(cc4)F)c5ccc(cc5)F","O=C1C2(N(CN1)c3ccccc3)CCN(CC2)CCCC(c4ccc(cc4)F)c5ccc(cc5)F","O=C1C2(N(CN1)c3ccccc3)CCN(CC2)CCCC(c4ccc(cc4)F)c5ccc(cc5)F","O=C1C2(N(CN1)c3ccccc3)CCN(CC2)CCCC(c4ccc(cc4)F)c5ccc(cc5)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3002,273,"DIMETHYL TETRACHLOROTEREPHTHALATE","1861-32-1","COC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)OC)Cl)Cl","COC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)OC)Cl)Cl","COC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)OC)Cl)Cl","COC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)OC)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3003,1027,"BENEFIN","1861-40-1","CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3005,1025,"KETAMINE","1867-66-9","CNC1(C(CCCC1)=O)c2c(cccc2)Cl","CNC1(C(CCCC1)=O)c2c(cccc2)Cl","CNC1(C(CCCC1)=O)c2c(cccc2)Cl","CNC1(C(CCCC1)=O)c2c(cccc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[3006,1309,"Phenol, 4-chloro-3,5-dimethyl-2-(phenylmethyl)-","1867-85-2","Cc1c(c(c(c(c1)O)Cc2ccccc2)C)Cl",null,"Cc1c(c(c(c(c1)O)Cc2ccccc2)C)Cl","Cc1c(c(c(c(c1)O)Cc2ccccc2)C)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3008,429,"PSICOFURANINE","1874-54-0","Nc1c2c(ncn1)n(cn2)C3(C(C(C(O3)CO)O)O)CO","Nc1c2c(ncn1)n(cn2)C3(C(C(C(O3)CO)O)O)CO","Nc1c2c(ncn1)n(cn2)C3(C(C(C(O3)CO)O)O)CO","Nc1c2c(ncn1)n(cn2)C3(C(C(C(O3)CO)O)O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3009,4045,"o-methylphenoxyaceticacid","1878-49-5","COC(=O)COc1ccccc1","Cc1c(cccc1)OCC(=O)O","Cc1c(cccc1)OCC(=O)O","Cc1c(cccc1)OCC(=O)O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[3011,3922,"o-nitrophenoxyaceticacid","1878-87-1","O=C(COc1ccccc1)O[N+](=O)[O-]","O=C(O)COc1c(cccc1)[N+](=O)[O-]","O=C(O)COc1c(cccc1)[N+](=O)[O-]","O=C(O)COc1c(cccc1)[N+](=O)[O-]",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[3012,3821,"DI-TERT-BUTYLSULFONE","1886-75-5","CC(C)(C)S(=O)(=O)C(C)(C)C","CC(C)(C)S(=O)(=O)C(C)(C)C",null,"CC(C)(C)S(=O)(=O)C(C)(C)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3015,2586,"2-Furancarboxaldehyde, 5-bromo-","1899-24-7","O=Cc1oc(cc1)Br","O=Cc1oc(cc1)Br","O=Cc1oc(cc1)Br","O=Cc1oc(cc1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3016,3609,"M-METHYLBENZENESULFONAMIDE","1899-94-1","Cc1cc(ccc1)S(N)(=O)=O","Cc1cc(ccc1)S(N)(=O)=O",null,"Cc1cc(ccc1)S(N)(=O)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3018,607,"Paraquat dichloride","1910-42-5","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","C[n+]1ccc(cc1)-c2cc[n+](cc2)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"3522"]
[3019,3712,"ATRAZINE","1912-24-9","CCNc1nc(nc(n1)Cl)NC(C)C","CCNc1nc(nc(n1)Cl)NC(C)C","CCNc1nc(nc(n1)Cl)NC(C)C",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3021,4141,"TRIETAZINE","1912-26-1","CCNc1nc(nc(n1)Cl)N(CC)CC","CCNc1nc(nc(n1)Cl)N(CC)CC","CCNc1nc(nc(n1)Cl)N(CC)CC","CCNc1nc(nc(n1)Cl)N(CC)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3022,3090,"2-Furancarboxylic acid, 5-methyl-","1917-15-3","Cc1oc(cc1)C(=O)O","Cc1oc(cc1)C(=O)O","Cc1oc(cc1)C(=O)O","Cc1oc(cc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3024,3874,"DICAMBA","1918-00-9","COc1c(c(ccc1Cl)Cl)C(=O)O","COc1c(c(ccc1Cl)Cl)C(=O)O","COc1c(c(ccc1Cl)Cl)C(=O)O","COc1c(c(ccc1Cl)Cl)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3025,2956,"PICLORAM","1918-02-1","Nc1c(c(nc(c1Cl)Cl)C(=O)O)Cl","Nc1c(c(nc(c1Cl)Cl)C(=O)O)Cl","Nc1c(c(nc(c1Cl)Cl)C(=O)O)Cl","Nc1c(c(nc(c1Cl)Cl)C(=O)O)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3028,3388,"CHLORTHIAMID","1918-13-4","NC(=S)c1c(cccc1Cl)Cl","NC(=S)c1c(cccc1Cl)Cl","NC(=S)c1c(cccc1Cl)Cl","NC(=S)c1c(cccc1Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3029,409,"PROPACHLOR","1918-16-7","CC(C)N(C(=O)CCl)c1ccccc1","CC(C)N(C(=O)CCl)c1ccccc1","CC(C)N(C(=O)CCl)c1ccccc1","CC(C)N(C(=O)CCl)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3031,958,"10H-Phenothiazin-3-ol","1927-44-2","Oc1cc2c(cc1)Nc3c(S2)cccc3","Oc1cc2c(cc1)Nc3c(S2)cccc3","Oc1cc2c(cc1)Nc3c(S2)cccc3","Oc1cc2c(cc1)Nc3c(S2)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3032,4266,"2,4-D, METHYL ESTER","1928-38-7","COC(=O)COc1c(cc(cc1)Cl)Cl","COC(=O)COc1c(cc(cc1)Cl)Cl",null,"COC(=O)COc1c(cc(cc1)Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3034,1440,"2,4-D, OCTYL ESTER","1928-44-5","CCCCCCCCOC(=O)COc1c(cc(cc1)Cl)Cl","CCCCCCCCOC(=O)COc1c(cc(cc1)Cl)Cl",null,"CCCCCCCCOC(=O)COc1c(cc(cc1)Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3035,370,"2,4-D, PROPYL ESTER","1928-61-6","CCCOC(=O)COc1c(cc(cc1)Cl)Cl","CCCOC(=O)COc1c(cc(cc1)Cl)Cl",null,"CCCOC(=O)COc1c(cc(cc1)Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3037,1180,"2,4-D, BUTOXYETHYL ESTER","1929-73-3",null,"CCCCOCCOC(=O)COc1c(cc(cc1)Cl)Cl","CCCCOCCOC(=O)COc1c(cc(cc1)Cl)Cl","CCCCOCCOC(=O)COc1c(cc(cc1)Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3038,232,"VERNOLATE","1929-77-7","CCCSC(=O)N(CCC)CCC","CCCSC(=O)N(CCC)CCC","CCCSC(=O)N(CCC)CCC","CCCSC(=O)N(CCC)CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3041,705,"Piperidine, 1,1'-(1,2-ethanediyl)bis-","1932-04-3","C1CCN(CC1)CCN2CCCCC2","C1CCN(CC1)CCN2CCCCC2","C1CCN(CC1)CCN2CCCCC2","C1CCN(CC1)CCN2CCCCC2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3042,4333,"Chlorotrinitromethane","1943-16-4","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(Cl)([N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3044,2905,"propane-1-thiosulfinic acid S-propyl ester","1948-52-3","CCCSS(=O)CCC","CCCSS(=O)CCC","CCCSS(=O)CCC","CCCSS(=O)CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3045,4293,"1,3-Benzenedicarboxylic acid, 2-methoxy-","1951-38-8","COc1c(cccc1C(=O)O)C(=O)O",null,"COc1c(cccc1C(=O)O)C(=O)O","COc1c(cccc1C(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3047,407,"Pentanoic acid, 4-nitrophenyl ester","1956-07-6","CCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",null,"CCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","CCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3048,4567,"p-dibutylterephthalate","1962-75-0",null,"CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC",null,"CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3050,219,"Hexanediamide, N,N'-bis(2-hydroxyethyl)-","1964-73-4","O=C(CCCCC(=O)NCCO)NCCO","O=C(CCCCC(=O)NCCO)NCCO","OCCN=C(O)CCCCC(O)=NCCO","OCCN=C(O)CCCCC(O)=NCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3051,4296,"3,4-DICHLOROBENZYL METHYLCARBAMATE","1966-58-1","CNC(=O)OCc1cc(c(cc1)Cl)Cl","CNC(=O)OCc1cc(c(cc1)Cl)Cl","CNC(=O)OCc1cc(c(cc1)Cl)Cl","CNC(=O)OCc1cc(c(cc1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3054,4411,"1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-di","1972-03-8",null,"CC12C(NC(C(CC1)C2(C)C)=O)=O",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3055,3979,"1-Bromo-2-ethylbenzene","1973-22-4","CCc1c(cccc1)Br","CCc1c(cccc1)Br","CCc1c(cccc1)Br","CCc1c(cccc1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3057,1201,"SIDURON","1982-49-6","CC1C(CCCC1)NC(=O)Nc2ccccc2","CC1C(CCCC1)NC(=O)Nc2ccccc2","CC1C(CCCC1)NC(=O)Nc2ccccc2","CC1C(CCCC1)NC(=O)Nc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3058,null,"TRI-N-BUTYLTIN FLUORIDE","1983-10-4",null,null,"CCCC[Sn](F)(CCCC)CCCC","CCCC[Sn](F)(CCCC)CCCC",2,0,2,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[3060,3438,"Benzene, 1,3-dichloro-2-methoxy-","1984-65-2","COc1c(cccc1Cl)Cl","COc1c(cccc1Cl)Cl","COc1c(cccc1Cl)Cl","COc1c(cccc1Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3061,2091,"Urea, (2,2,2-trichloro-1-hydroxyethyl)-","2000-40-0","NC(=O)NC(O)C(Cl)(Cl)Cl","NC(=O)NC(O)C(Cl)(Cl)Cl",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[3064,504,"BUTYLATE","2008-41-5","CCSC(=O)N(CC(C)C)CC(C)C","CCSC(=O)N(CC(C)C)CC(C)C","CCSC(=O)N(CC(C)C)CC(C)C","CCSC(=O)N(CC(C)C)CC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3065,3386,"2,6-DICHLOROBENZAMIDE","2008-58-4","NC(=O)c1c(cccc1Cl)Cl","NC(=O)c1c(cccc1Cl)Cl","NC(=O)c1c(cccc1Cl)Cl","NC(=O)c1c(cccc1Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3067,247,"N-DECYLAMINE","2016-57-1","CCCCCCCCCCN","CCCCCCCCCCN","CCCCCCCCCCN","CCCCCCCCCCN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3068,417,"ETHYL B-PHENYLPROPIONATE","2021-28-5",null,"CCOC(=O)CCc1ccccc1","CCOC(=O)CCc1ccccc1","CCOC(=O)CCc1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3070,446,"AMINOCARB","2032-59-9","CNC(=O)Oc1cc(c(cc1)N(C)C)C","CNC(=O)Oc1cc(c(cc1)N(C)C)C","CNC(=O)Oc1cc(c(cc1)N(C)C)C","CNC(=O)Oc1cc(c(cc1)N(C)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3071,437,"METHIOCARB","2032-65-7","CNC(=O)Oc1cc(c(c(c1)C)SC)C","CNC(=O)Oc1cc(c(c(c1)C)SC)C","CNC(=O)Oc1cc(c(c(c1)C)SC)C","CNC(=O)Oc1cc(c(c(c1)C)SC)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3073,2168,"Propanamide, 2-hydroxy-","2043-43-8","CC(O)C(N)=O","CC(O)C(N)=O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[3074,3521,"BENZENAMINE, N-METHYL-2,4-DINITRO-","2044-88-4","CNc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","CNc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[3077,697,"DIETHYL SUBERATE","2050-23-9","CCOC(=O)CCCCCCC(=O)OCC","CCOC(=O)CCCCCCC(=O)OCC","CCOC(=O)CCCCCCC(=O)OCC","CCOC(=O)CCCCCCC(=O)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3078,907,"3,3'-DICHLOROBIPHENYL","2050-67-1","Clc1cc(ccc1)-c2cc(ccc2)Cl","Clc1cc(ccc1)-c2cc(ccc2)Cl","Clc1cc(ccc1)-c2cc(ccc2)Cl","Clc1cc(ccc1)-c2cc(ccc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3080,270,"1,2-DICHLORONAPHTHALENE","2050-69-3","Clc1c(c2c(cc1)cccc2)Cl","Clc1c(c2c(cc1)cccc2)Cl","Clc1c(c2c(cc1)cccc2)Cl","Clc1c(c2c(cc1)cccc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3081,264,"1,8-DICHLORONAPHTHALENE","2050-74-0","Clc1c2c(ccc1)cccc2Cl","Clc1c2c(ccc1)cccc2Cl","Clc1c2c(ccc1)cccc2Cl","Clc1c2c(ccc1)cccc2Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3083,528,"DECACHLOROBIPHENYL","2051-24-3","Clc1c(c(c(c(c1Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3084,940,"2-CHLOROBIPHENYL","2051-60-7","Clc1c(cccc1)-c2ccccc2","Clc1c(cccc1)-c2ccccc2","Clc1c(cccc1)-c2ccccc2","Clc1c(cccc1)-c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3086,939,"4-CHLOROBIPHENYL","2051-62-9","Clc1ccc(cc1)-c2ccccc2","Clc1ccc(cc1)-c2ccccc2","Clc1ccc(cc1)-c2ccccc2","Clc1ccc(cc1)-c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3087,542,"2,4-Dihydroxyazobenzene","2051-85-6","Oc1cc(c(cc1)N=Nc2ccccc2)O","O=C1C=C(C(C=C1)=NNc2ccccc2)O","Oc1cc(c(cc1)N=Nc2ccccc2)O","Oc1cc(c(cc1)N=Nc2ccccc2)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3090,null,"DL-Threonine, O-methyl-","2076-57-5","COC(C)C(N)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[3091,1503,"Phenol, 4,4'-(3-methylbutylidene)bis-","2081-32-5","CC(C)CC(c1ccc(cc1)O)c2ccc(cc2)O",null,"CC(C)CC(c1ccc(cc1)O)c2ccc(cc2)O","CC(C)CC(c1ccc(cc1)O)c2ccc(cc2)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3093,4153,"Propanedioic acid, butylethyl-","2085-15-6","CCCCC(CC)(C(=O)O)C(=O)O",null,null,"CCCCC(CC)(C(=O)O)C(=O)O",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[3094,3220,"Butanedioic acid, trimethyl-","2103-16-4","CC(C(=O)O)C(C)(C)C(=O)O","CC(C(=O)O)C(C)(C)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[3096,1149,"EPN","2104-64-5","CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2","CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2","CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2","CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3097,3927,"BROMOPHOS","2104-96-3","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Br)Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Br)Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Br)Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)Br)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3099,3221,"Pentanedioic acid, 2,4-dimethyl-","2121-67-7","CC(CC(C)C(=O)O)C(=O)O","CC(CC(C)C(=O)O)C(=O)O","CC(CC(C)C(=O)O)C(=O)O","CC(CC(C)C(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3100,1174,"Clorexolone","2127-01-7","NS(=O)(=O)c1c(cc2c(c1)C(N(C2)C3CCCCC3)=O)Cl","NS(=O)(=O)c1c(cc2c(c1)C(N(C2)C3CCCCC3)=O)Cl",null,"NS(=O)(=O)c1c(cc2c(c1)C(N(C2)C3CCCCC3)=O)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3103,1795,"FLUMETHASONE","2135-17-3","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO","CC1C(C2(C(C1)C3C(C4(C(C(C3)F)=CC(=O)C=C4)C)(F)C(O)C2)C)(O)C(=O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3104,729,"2,2',3,3',5,5',6,6'-OCTACHLOROBIPHENYL","2136-99-4","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3106,1880,"betamethasone-17-valerate","2152-44-5",null,"CCCCC(=O)OC1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)C(=O)CO",null,"CCCCC(=O)OC1(C2(C(CC1C)C3C(C4(C(CC3)=CC(=O)C=C4)C)(F)C(O)C2)C)C(=O)CO",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed, Name verified in PubChem",""]
[3107,4269,"Endosulfan diol","2157-19-9","OCC1C2(C(=C(C(C1CO)(C2(Cl)Cl)Cl)Cl)Cl)Cl","OCC1C2(C(=C(C(C1CO)(C2(Cl)Cl)Cl)Cl)Cl)Cl",null,"OCC1C2(C(=C(C(C1CO)(C2(Cl)Cl)Cl)Cl)Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[3109,1253,"Benzoic acid, 2-(4-bromobenzoyl)-","2159-40-2","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Br","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Br","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Br","O=C(O)c1c(cccc1)C(=O)c2ccc(cc2)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3110,3738,"4-ETHYLAMINO-6-ISOPROPYLAMINO-S-TRIAZIN-2-OL","2163-68-0","CCNc1nc(nc(n1)O)NC(C)C","CCNc1[nH]c(nc(n1)=O)NC(C)C",null,"CCNc1nc(nc(n1)O)NC(C)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3112,null,"MSMA","2163-80-6","C[As](=O)(O)O","C[As](=O)(O)O","C[As](=O)(O)O","C[As](=O)(O)O",4,0,0,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[3113,1042,"LENACIL","2164-08-1","O=c1n(c(c2c([nH]1)CCC2)=O)C3CCCCC3","O=c1n(c(c2c([nH]1)CCC2)=O)C3CCCCC3","O=c1n(c(c2c([nH]1)CCC2)=O)C3CCCCC3","O=c1n(c(c2c([nH]1)CCC2)=O)C3CCCCC3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3116,27,"FLUOMETURON","2164-17-2","CN(C)C(=O)Nc1cc(ccc1)C(F)(F)F","CN(C)C(=O)Nc1cc(ccc1)C(F)(F)F","CN(C)C(=O)Nc1cc(ccc1)C(F)(F)F","CN(C)C(=O)Nc1cc(ccc1)C(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3117,null,"Propanoic acid, 3,3'-selenobis-","2168-88-9","O=C(O)CC[Se]CCC(=O)O",{"$nulls":3},1,0,3,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[3119,1583,"BUPIVACAINE","2180-92-9","CCCCN1C(CCCC1)C(=O)Nc2c(cccc2C)C","CCCCN1C(CCCC1)C(=O)Nc2c(cccc2C)C","CCCCN1C(CCCC1)C(=O)Nc2c(cccc2C)C","CCCCN1C(CCCC1)C(=O)Nc2c(cccc2C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3120,4576,"1,3-Cyclohexanedione, 2,2'-methylenebis[5,5-dime","2181-22-8",null,"CC1(CC(C(C(C1)=O)CC2C(CC(CC2=O)(C)C)=O)=O)C",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3122,265,"2,7-DICHLORONAPHTHALENE","2198-77-8","Clc1cc2c(cc1)ccc(Cl)c2","Clc1cc2c(cc1)ccc(Cl)c2","Clc1cc2c(cc1)ccc(Cl)c2","Clc1cc2c(cc1)ccc(Cl)c2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3123,null,"1h-pyrrole-2-carboxylicacid,3,5-dimethyl-,eth","2199-44-2",null,"CCOC(=O)c1c(cc([nH]1)C)C",null,"CCOC(=O)c1c(cc([nH]1)C)C",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3126,3755,"1,4-DIMETHYLCYCLOHEXANE (TRANS)","2207-04-7","CC1CCC(CC1)C","CC1CCC(CC1)C",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","2278"]
[3127,2383,"BUTANE, 2,3-DICHLORO-, (R*,R*)-(.+-.)-","2211-67-8",null,"CC(Cl)C(C)Cl",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed","3861"]
[3129,511,"1-NAPHTHALENECARBOXYLIC ACID, 8-NITRO-","2216-13-9","O=C(O)c1c2c(ccc1)cccc2[N+](=O)[O-]","O=C(O)c1c2c(ccc1)cccc2[N+](=O)[O-]","O=C(O)c1c2c(ccc1)cccc2[N+](=O)[O-]","O=C(O)c1c2c(ccc1)cccc2[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3130,4192,"4-METHYLOCTANE","2216-34-4","CCCCC(C)CCC","CCCCC(C)CCC","CCCCC(C)CCC","CCCCC(C)CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3132,350,"NAPHTHALENE, 1-METHOXY-","2216-69-5","COc1c2c(ccc1)cccc2","COc1c2c(ccc1)cccc2","COc1c2c(ccc1)cccc2","COc1c2c(ccc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3133,4415,"(+)-fenchol","2217-02-9",null,"CC12CC(CC1)C(C)(C)C2O",null,"CC12CC(CC1)C(C)(C)C2O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[3135,null,"2-Furanmethanol, tetrahydro-, benzoate","2217-32-5","O=C(O)c1ccccc1","O=C(OCC1OCCC1)c2ccccc2",null,null,0,2,2,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3136,4209,"Pentane, 3,3-bis(ethylsulfonyl)-","2217-59-6","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC","CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3139,3158,"2-Cyclohexen-1-one, oxime, (Z)-","2229-00-7","ON=C1CCCC=C1",null,"ON=C1CCCC=C1","ON=C1CCCC=C1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","3372"]
[3140,4,"OCTACHLORONAPHTHALENE","2234-13-1","Clc1c(c2c(c(c1Cl)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl","Clc1c(c2c(c(c1Cl)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl","Clc1c(c2c(c(c1Cl)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl","Clc1c(c2c(c(c1Cl)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3142,3452,"M-AMINOBENZONITRILE","2237-30-1","N#Cc1cc(ccc1)N","N#Cc1cc(ccc1)N","N#Cc1cc(ccc1)N","N#Cc1cc(ccc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3143,4159,"NONANONITRILE","2243-27-8","CCCCCCCCC#N","CCCCCCCCC#N","CCCCCCCCC#N","CCCCCCCCC#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3145,263,"Naphthalene, 1,4,5-trinitro-","2243-95-0","O=[N+]([O-])c1c2c(c(cc1)[N+](=O)[O-])c([N+](=O)[O-])ccc2","O=[N+]([O-])c1c2c(c(cc1)[N+](=O)[O-])c([N+](=O)[O-])ccc2","O=[N+]([O-])c1c2c(c(cc1)[N+](=O)[O-])c([N+](=O)[O-])ccc2","O=[N+]([O-])c1c2c(c(cc1)[N+](=O)[O-])c([N+](=O)[O-])ccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3146,135,"2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)","2244-16-8",null,"C=C(C)C1CC(C(=CC1)C)=O","C=C(C)C1CC(C(=CC1)C)=O","C=C(C)C1CC(C(=CC1)C)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","847, 1907, 3758"]
[3148,2210,"2,3,3-TRICHLORO-2-PROPENOIC ACID","2257-35-4","O=C(O)C(Cl)=C(Cl)Cl","O=C(O)C(Cl)=C(Cl)Cl","O=C(O)C(Cl)=C(Cl)Cl","O=C(O)C(Cl)=C(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3149,2966,"1H-Purine, 8-(trifluoromethyl)-","2268-12-4","FC(F)(F)c1nc2-c(n1)c[nH]cn2","FC(F)(F)c1[nH]c2c(n1)ncnc2",null,"FC(F)(F)c1[nH]c2c(n1)ncnc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3152,null,"phosphoricacid,2-chloro-(2,4-dichlorophenyl)vin","2274-67-1",null,"COP(=O)(OC)OC(=CCl)c1c(cc(cc1)Cl)Cl",null,"COP(=O)(OC)OC(=CCl)c1c(cc(cc1)Cl)Cl",2,0,2,"NO","NO",2,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[3153,4196,"PROTHOATE","2275-18-5","CCOP(=S)(OCC)SCC(=O)NC(C)C","CCOP(=S)(OCC)SCC(=O)NC(C)C","CCOP(=S)(OCC)SCC(=O)NC(C)C","CCOP(=S)(OCC)SCC(=O)NC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3155,null,"Sulfanilamide, N1-(4-ethyl-2-pyrimidinyl)-","2276-96-2","CCc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3156,null,"ETHYL MERCURY CYANIDE","2279-63-2","CC[Hg]C#N","CC[Hg]C#N",null,"CC[Hg]C#N",3,0,1,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[3158,281,"1H-2-Benzopyran-3-carboxylic acid, 1-oxo-","2289-03-4","O=C(O)c1oc(c2c(c1)cccc2)=O","O=C(O)c1oc(c2c(c1)cccc2)=O","O=C(O)c1oc(c2c(c1)cccc2)=O","O=C(O)c1oc(c2c(c1)cccc2)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3159,175,"DIALLATE","2303-16-4","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C","CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3161,4504,"3-me-4'-no2-diphenylether","2303-25-5",null,"Cc1cc(ccc1)Oc2ccc(cc2)[N+](=O)[O-]",null,"Cc1cc(ccc1)Oc2ccc(cc2)[N+](=O)[O-]",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3162,3703,"trans-Cyclohexane-1,2-dicarboxylic acid","2305-32-0","O=C(O)C1C(CCCC1)C(=O)O","O=C(O)C1C(CCCC1)C(=O)O","O=C(O)C1C(CCCC1)C(=O)O","O=C(O)C1C(CCCC1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3165,null,"1h-purine-2,6,8(3h)-trione,7,9-dihydro-1,3,7,9-","2309-49-1",null,"Cn1c(n(c2c(c1=O)n(c(n2C)=O)C)C)=O",null,"Cn1c(n(c2c(c1=O)n(c(n2C)=O)C)C)=O",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3166,624,"PHOSALONE","2310-17-0","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3168,1554,"Flurenol-butyl","2314-09-2","CCCCOC(=O)C1(c2c(-c3c1cccc3)cccc2)O","CCCCOC(=O)C1(c2c(-c3c1cccc3)cccc2)O","CCCCOC(=O)C1(c2c(-c3c1cccc3)cccc2)O","CCCCOC(=O)C1(c2c(-c3c1cccc3)cccc2)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3169,2776,"CDEA","2315-36-8","CCN(CC)C(=O)CCl","CCN(CC)C(=O)CCl",null,"CCN(CC)C(=O)CCl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3171,3497,"BENZENEMETHANOL, 5-BROMO-2-HYDROXY-","2316-64-5","OCc1c(ccc(c1)Br)O","OCc1c(ccc(c1)Br)O","OCc1c(ccc(c1)Br)O","OCc1c(ccc(c1)Br)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3172,3219,"Butanedioic acid, (1-methylethyl)-","2338-45-6","CC(C)C(CC(=O)O)C(=O)O","CC(C)C(CC(=O)O)C(=O)O",null,"CC(C)C(CC(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3174,2638,"2-Thiophenecarboxylic acid, hydrazide","2361-27-5","NNC(=O)c1sccc1","NNC(=O)c1sccc1","NNC(=O)c1sccc1","NNC(=O)c1sccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3175,1038,"N-acetyl-L-phenylalanine, ethyl ester","2361-96-8","CCOC(=O)C(Cc1ccccc1)NC(C)=O","CCOC(=O)C(Cc1ccccc1)NC(C)=O","CCOC(=O)C(Cc1ccccc1)N=C(C)O","CCOC(=O)C(Cc1ccccc1)N=C(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3178,3312,"2,2-DIMETHYL-1-PENTANOL","2370-12-9","CCCC(C)(C)CO","CCCC(C)(C)CO","CCCC(C)(C)CO","CCCC(C)(C)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3179,317,"2H-1-Benzopyran-2-one, 6-hydroxy-4-methyl-","2373-31-1","Cc1c2c(oc(c1)=O)ccc(O)c2","Cc1c2c(oc(c1)=O)ccc(O)c2","Cc1c2c(oc(c1)=O)ccc(O)c2","Cc1c2c(oc(c1)=O)ccc(O)c2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3181,4094,"5-ALLYL-5-ETHYL BARBITURIC ACID","2373-84-4","C=CCC1(C(NC(NC1=O)=O)=O)CC","C=CCC1(C(NC(NC1=O)=O)=O)CC",null,"C=CCC1(C(NC(NC1=O)=O)=O)CC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3182,1608,"10-METHYL-BENZ(A)ANTHRACENE","2381-15-9","Cc1cc2c(cc1)cc3c(c4c(cc3)cccc4)c2","Cc1cc2c(cc1)cc3c(c4c(cc3)cccc4)c2",null,"Cc1cc2c(cc1)cc3c(c4c(cc3)cccc4)c2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3184,1729,"6-METHYLBENZO(A)PYRENE","2381-39-7","Cc1c2ccc3cccc4ccc(c5c1cccc5)c2c43","Cc1c2ccc3cccc4ccc(c5c1cccc5)c2c43","Cc1c2ccc3cccc4ccc(c5c1cccc5)c2c43","Cc1c2ccc3cccc4ccc(c5c1cccc5)c2c43",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3185,null,"L-TRYPTOPHAN, N-ACETYL, ETHYL ESTER","2382-80-1",null,"CCOC(=O)C(Cc1c2c([nH]c1)cccc2)N(C)C=O",null,null,1,0,3,"NO","NO",1,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[3187,4129,"1-Camphoronic Acid","2385-74-2",null,"CC(C)(C(=O)O)C(C)(CC(=O)O)C(=O)O",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed","1942"]
[3188,3,"MIREX","2385-85-5","ClC1(C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","ClC1(C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","ClC1(C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","ClC1(C2(C3(C4(C1(C5(C4(Cl)C(Cl)(Cl)C3(C25Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3191,4080,"1,8-NONADIYNE","2396-65-8","C#CCCCCCC#C","C#CCCCCCC#C","C#CCCCCCC#C","C#CCCCCCC#C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3192,3059,"N-OXIDENICOTINIC ACID","2398-81-4","O=C(O)C1=C[NH+2]([O-])[CH-]C=C1","O=C(O)C1=C[NH+2]([O-])[CH-]C=C1",null,"O=C(O)c1c[n+](ccc1)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3194,4213,"DIBUTYL METHYLPHOSPHONATE","2404-73-1","CCCCOP(C)(=O)OCCCC","CCCCOP(C)(=O)OCCCC","CCCCOP(C)(=O)OCCCC","CCCCOP(C)(=O)OCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3195,4099,"2,3,6-TRIMETHYLPHENOL","2416-94-6","Cc1c(c(c(cc1)C)O)C","Cc1c(c(c(cc1)C)O)C","Cc1c(c(c(cc1)C)O)C","Cc1c(c(c(cc1)C)O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3197,718,"Tri-sec-butanolamine","2421-02-5","CCC(O)CN(CC(O)CC)CC(O)CC","CCC(O)CN(CC(O)CC)CC(O)CC",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[3198,1606,"12-METHYLBENZ(A)ANTHRACENE","2422-79-9","Cc1c2c(cc3c1cccc3)ccc4c2cccc4","Cc1c2c(cc3c1cccc3)ccc4c2cccc4","Cc1c2c(cc3c1cccc3)ccc4c2cccc4","Cc1c2c(cc3c1cccc3)ccc4c2cccc4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3201,3263,"GLYCIDYL N-BUTYL ETHER","2426-08-6",null,"CCCCOCC1OC1","CCCCOCC1OC1","CCCCOCC1OC1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3202,4205,"7-METHYL-1-OCTANOL","2430-22-0","CC(C)CCCCCCO","CC(C)CCCCCCO","CC(C)CCCCCCO","CC(C)CCCCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3204,3462,"Pteridine, 2-methyl-","2432-20-4","Cc1nc2c(cn1)nccn2",null,"Cc1nc2c(cn1)nccn2","Cc1nc2c(cn1)nccn2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3205,3464,"Pteridine, 4-methyl-","2432-21-5","Cc1c2c(ncn1)nccn2",null,"Cc1c2c(ncn1)nccn2","Cc1c2c(ncn1)nccn2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3207,835,"2,2',4,4'-TETRACHLOROBIPHENYL","2437-79-8","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cc(cc2)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3208,279,"OXYTHIOQUINOX","2439-01-2","Cc1cc2c(cc1)nc3c(sc(s3)=O)n2","Cc1cc2c(cc1)nc3c(sc(s3)=O)n2","Cc1cc2c(cc1)nc3c(sc(s3)=O)n2","Cc1cc2c(cc1)nc3c(sc(s3)=O)n2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3210,3990,"O-METHOXYBENZAMIDE","2439-77-2","COc1c(cccc1)C(N)=O","COc1c(cccc1)C(N)=O","COc1c(cccc1)C(N)=O","COc1c(cccc1)C(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3211,2264,"GLYPHOSINE","2439-99-8","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3214,228,"TERPIN HYDRATE (cis-form)","2451-01-6",null,"CC1(CCC(CC1)C(C)(C)O)O",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed","494, 2188"]
[3215,3982,"DICAPTHON","2463-84-5","COP(=S)(OC)Oc1c(cc(cc1)[N+](=O)[O-])Cl","COP(=S)(OC)Oc1c(cc(cc1)[N+](=O)[O-])Cl","COP(=S)(OC)Oc1c(cc(cc1)[N+](=O)[O-])Cl","COP(=S)(OC)Oc1c(cc(cc1)[N+](=O)[O-])Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3217,1126,"1,4,5,8-TETRAAMINOANTHRAQUINONE","2475-45-8","Nc1c2c(c(cc1)N)C(c3c(C2=O)c(N)ccc3N)=O","Nc1c2c(c(cc1)N)C(c3c(C2=O)c(N)ccc3N)=O","Nc1c2c(c(cc1)N)C(c3c(C2=O)c(N)ccc3N)=O","Nc1c2c(c(cc1)N)C(c3c(C2=O)c(N)ccc3N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3218,543,"4-(PHENYLAZO)BENZENESULFONIC ACID","2484-88-0","O=S(=O)(O)c1ccc(cc1)N=Nc2ccccc2","O=S(=O)(O)c1ccc(cc1)N=Nc2ccccc2","O=S(=O)(O)c1ccc(cc1)N=Nc2ccccc2","O=S(=O)(O)c1ccc(cc1)N=Nc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3220,2107,"Glycine, N-formyl-","2491-15-8","O=CNCC(=O)O","O=CNCC(=O)O","O=CNCC(=O)O","O=CNCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3221,1131,"Ethanone, 1-(4-hydroxyphenyl)-2-phenyl-","2491-32-9","O=C(Cc1ccccc1)c2ccc(cc2)O","O=C(Cc1ccccc1)c2ccc(cc2)O","O=C(Cc1ccccc1)c2ccc(cc2)O","O=C(Cc1ccccc1)c2ccc(cc2)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3223,3839,"DISULFOTON SULFOXIDE","2497-07-6","CCOP(=S)(OCC)SCCS(=O)CC","CCOP(=S)(OCC)SCCS(=O)CC","CCOP(=S)(OCC)SCCS(=O)CC","CCOP(=S)(OCC)SCCS(=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3224,1602,"BENZ[a]ANTHRACENE, 5-FLUORO-7-METHYL-","2498-63-7","Cc1c2c(cc3c1cccc3)c4c(c(c2)F)cccc4","Cc1c2c(cc3c1cccc3)c4c(c(c2)F)cccc4","Cc1c2c(cc3c1cccc3)c4c(c(c2)F)cccc4","Cc1c2c(cc3c1cccc3)c4c(c(c2)F)cccc4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3227,3367,"2-CHLORO-5-NITROBENZOIC ACID","2516-96-3","O=C(O)c1c(ccc(c1)[N+](=O)[O-])Cl","O=C(O)c1c(ccc(c1)[N+](=O)[O-])Cl","O=C(O)c1c(ccc(c1)[N+](=O)[O-])Cl","O=C(O)c1c(ccc(c1)[N+](=O)[O-])Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3228,2323,"FURAZAN, DIMETHYL-, 2-OXIDE","2518-42-5","Cc1c([n+](on1)[O-])C","Cc1c([n+](on1)[O-])C",null,"Cc1c([n+](on1)[O-])C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3230,1280,"2-METHYLPHENANTHRENE","2531-84-2","Cc1cc2c(cc1)c3c(cc2)cccc3","Cc1cc2c(cc1)c3c(cc2)cccc3","Cc1cc2c(cc1)c3c(cc2)cccc3","Cc1cc2c(cc1)c3c(cc2)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3231,1274,"CHLORFLURECOL METHYL","2536-31-4","COC(=O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O","COC(=O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O",null,"COC(=O)C1(c2c(-c3c1cccc3)ccc(Cl)c2)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3233,2795,"FORMOTHION","2540-82-1","COP(=S)(OC)SCC(=O)N(C)C=O","COP(=S)(OC)SCC(=O)N(C)C=O","COP(=S)(OC)SCC(=O)N(C)C=O","COP(=S)(OC)SCC(=O)N(C)C=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3234,1603,"BENZ[a]ANTHRACENE, 6-FLUORO-7-METHYL-","2541-68-6","Cc1c2c(cc3c1cccc3)c4c(cc2F)cccc4","Cc1c2c(cc3c1cccc3)c4c(cc2F)cccc4","Cc1c2c(cc3c1cccc3)c4c(cc2F)cccc4","Cc1c2c(cc3c1cccc3)c4c(cc2F)cccc4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3236,4150,"Nonanoic acid, 9-oxo-","2553-17-5","O=CCCCCCCCC(=O)O","O=CCCCCCCCC(=O)O","O=CCCCCCCCC(=O)O","O=CCCCCCCCC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3237,3905,"Acetamide, 2,2-dichloro-N-phenyl-","2563-99-7","O=C(Nc1ccccc1)C(Cl)Cl","O=C(Nc1ccccc1)C(Cl)Cl","O=C(Nc1ccccc1)C(Cl)Cl",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3240,4601,"ethanediimidamide,n,n''-dihydroxy-","2580-79-2","N=C(N)C(=NO)NO","NC(N=O)=C(N)NO","NC(=NO)C(N)=NO","NC(=NO)C(N)=NO",3,1,0,"NO","NO",4,0,"Maintain","High Reliability","Stereochemistry removed, Manual Check passed",""]
[3241,3541,"3-METHYL-4-NITROPHENOL","2581-34-2","Cc1c(ccc(c1)O)[N+](=O)[O-]","Cc1c(ccc(c1)O)[N+](=O)[O-]","Cc1c(ccc(c1)O)[N+](=O)[O-]","Cc1c(ccc(c1)O)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3243,3947,"Guanidine, 2-benzothiazolyl-","2582-07-2","NC(N)=Nc1sc2c(n1)cccc2","NC(N)=Nc1sc2c(n1)cccc2",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[3244,3145,"2-Hexenedioic acid","2583-24-6","O=C(O)C=CCCC(=O)O",null,"O=C(O)C=CCCC(=O)O","O=C(O)C=CCCC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"3497"]
[3246,3340,"PHORATE SULFONE","2588-04-7","CCOP(=S)(OCC)SCS(=O)(=O)CC","CCOP(=S)(OCC)SCS(=O)(=O)CC","CCOP(=S)(OCC)SCS(=O)(=O)CC","CCOP(=S)(OCC)SCS(=O)(=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3247,3339,"PHORATE OXON SULFOXIDE","2588-05-8","CCOP(=O)(OCC)SCS(=O)CC","CCOP(=O)(OCC)SCS(=O)CC","CCOP(=O)(OCC)SCS(=O)CC","CCOP(=O)(OCC)SCS(=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3249,221,"MECARBAM","2595-54-2","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC","CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3250,663,"FENTHOATE","2597-03-7","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1","CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3253,4320,"3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-","2602-36-0","Cc1c(cc(c(n1)C)C(=O)O)C(=O)O","Cc1c(cc(c(n1)C)C(=O)O)C(=O)O","Cc1c(cc(c(n1)C)C(=O)O)C(=O)O","Cc1c(cc(c(n1)C)C(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3254,1682,"ACID RED 18","2611-82-7","O=C1C(c2c(C=C1)cc(S(=O)(=O)O)cc2S(=O)(=O)O)=NNc3c4c(c(cc3)S(=O)(=O)O)cccc4","O=C1C(c2c(C=C1)cc(S(=O)(=O)O)cc2S(=O)(=O)O)=NNc3c4c(c(cc3)S(=O)(=O)O)cccc4","O=S(=O)(O)c1cc2c(c(c1)S(=O)(=O)O)c(N=Nc3c4c(c(cc3)S(=O)(=O)O)cccc4)c(O)cc2","O=S(=O)(O)c1cc2c(c(c1)S(=O)(=O)O)c(N=Nc3c4c(c(cc3)S(=O)(=O)O)cccc4)c(O)cc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3256,1744,"PERICYAZINE","2622-26-6","N#Cc1cc2c(cc1)Sc3c(N2CCCN4CCC(CC4)O)cccc3","N#Cc1cc2c(cc1)Sc3c(N2CCCN4CCC(CC4)O)cccc3","N#Cc1cc2c(cc1)Sc3c(N2CCCN4CCC(CC4)O)cccc3","N#Cc1cc2c(cc1)Sc3c(N2CCCN4CCC(CC4)O)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3257,45,"P-ACETOXYACETANILIDE","2623-33-8","CC(=O)Nc1ccc(cc1)OC(C)=O","CC(=O)Nc1ccc(cc1)OC(C)=O","CC(=O)Nc1ccc(cc1)OC(C)=O","CC(=O)Nc1ccc(cc1)OC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3259,65,"2,4(1H,3H)-Pteridinedione, 1,3,6,7-tetramethyl-","2625-25-4","Cc1c(nc2c(n1)c(=O)n(C)c(=O)n2C)C","Cc1c(nc2c(n1)c(=O)n(C)c(=O)n2C)C","Cc1c(nc2c(n1)c(=O)n(C)c(=O)n2C)C","Cc1c(nc2c(n1)c(=O)n(C)c(=O)n2C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3260,661,"3-I-PR-5-MEPHENYL-N-ME CARBAMATE","2631-37-0",null,"CNC(=O)Oc1cc(cc(c1)C)C(C)C","CNC(=O)Oc1cc(cc(c1)C)C(C)C","CNC(=O)Oc1cc(cc(c1)C)C(C)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3263,4134,"4-Pyrimidinamine, 2,6-diethyl-5-methyl-","2635-56-5","CCc1nc(c(c(n1)N)C)CC","CCc1nc(c(c(n1)N)C)CC","CCc1nc(c(c(n1)N)C)CC","CCc1nc(c(c(n1)N)C)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3264,47,"Butanoic acid, 4-nitrophenyl ester","2635-84-9","CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]","CCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3266,298,"1,2-Naphthalenedione, 1-oxime","2636-79-5","O=C1C(c2c(C=C1)cccc2)=NO","O=Nc1c2c(ccc1O)cccc2","O=C1C(c2c(C=C1)cccc2)=NO","O=C1C(c2c(C=C1)cccc2)=NO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1501"]
[3267,650,"4,4'-Dicyano-4,4'azo-di-valeric acid","2638-94-0","CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O","CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O",null,"CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[3269,1542,"6-AMINOCHRYSENE","2642-98-0","Nc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2","Nc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2",null,"Nc1c2c(c3c(c1)c4c(cccc4)cc3)cccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3270,4401,"n-me-3,5-dimethylphenylcarbamate","2655-14-3",null,"CNC(=O)Oc1cc(cc(c1)C)C",null,"CNC(=O)Oc1cc(cc(c1)C)C",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3272,3931,"1,4-DICHLORO-2,5-DIMETHOXYBENZENE","2675-77-6","COc1c(cc(c(c1)Cl)OC)Cl","COc1c(cc(c(c1)Cl)OC)Cl","COc1c(cc(c(c1)Cl)OC)Cl","COc1c(cc(c(c1)Cl)OC)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3273,2454,".beta.-Alanine, N-methyl-","2679-14-3","CNCCC(=O)O","CNCCC(=O)O",null,"CNCCC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3276,null,"phosphorodithioicacid,s-[2-(ethylsulfinyl)ethy","2703-37-9",null,"CCS(=O)CCSP(=S)(OC)OC",null,"CCS(=O)CCSP(=S)(OC)OC",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3277,40,"ACETAMIDE, N-(4-ACETYLPHENYL)-","2719-21-3","CC(=O)Nc1ccc(cc1)C(C)=O","CC(=O)Nc1ccc(cc1)C(C)=O","CC(=O)Nc1ccc(cc1)C(C)=O","CC(=O)Nc1ccc(cc1)C(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3279,3842,"Phosphoric acid, butyl diethyl ester","2737-00-0","CCCCOP(=O)(OCC)OCC","CCCCOP(=O)(OCC)OCC","CCCCOP(=O)(OCC)OCC","CCCCOP(=O)(OCC)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3280,3791,"Leucine, ethyl ester","2743-60-4","CCOC(=O)C(N)CC(C)C","CCOC(=O)C(N)CC(C)C","CCOC(=O)C(N)CC(C)C","CCOC(=O)C(N)CC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3282,null,"ETHYL MERCURY THIOCYANATE-S","2754-57-6",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3283,577,"DIQUAT","2764-72-9","c1cc-2[n+](cc1)CC[n+]3c2cccc3","c1cc-2[n+](cc1)CC[n+]3c2cccc3","c1cc-2[n+](cc1)CC[n+]3c2cccc3","c1cc-2[n+](cc1)CC[n+]3c2cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions","550"]
[3285,4121,"ENDOTHION","2778-04-3","COc1c(cc(oc1)CSP(=O)(OC)OC)=O","COc1c(cc(oc1)CSP(=O)(OC)OC)=O","COc1c(cc(oc1)CSP(=O)(OC)OC)=O","COc1c(cc(oc1)CSP(=O)(OC)OC)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3286,null,"5,5'-Barbituric acid, 5,5'-dihydroxy-1,1'-dimeth","2784-22-7",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3289,2863,"trans-2,5-Dimethylpiperazine","2815-34-1","CC1NCC(NC1)C","CC1NCC(NC1)C","CC1NCC(NC1)C","CC1NCC(NC1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3290,2644,"4-Oxo-pent-2-enoic acid","2833-21-8","CC(=O)C=CC(=O)O",null,"CC(=O)C=CC(=O)O","CC(=O)C=CC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3292,3997,"BENZENEACETIC ACID, .ALPHA.-AMINO-, (.+-.)-","2835-06-5","NC(C(=O)O)c1ccccc1","NC(C(=O)O)c1ccccc1","NC(C(=O)O)c1ccccc1","NC(C(=O)O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3293,2447,"Butanoic acid, 2-amino-, (.+-.)-","2835-81-6","CCC(N)C(=O)O","CCC(N)C(=O)O",null,"CCC(N)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"497"]
[3295,3509,"M-CHLOROANISOLE","2845-89-8","COc1cc(ccc1)Cl","COc1cc(ccc1)Cl","COc1cc(ccc1)Cl","COc1cc(ccc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3296,null,"2,6-anthracenedisulfonicacid,4,8-diamino-9,10-","2861-02-1",null,"Nc1c2c(c(c(c1)S(=O)(=O)O)O)C(c3c(C2=O)c(O)c(S(=O)(=O)O)cc3N)=O",null,"Nc1c2c(c(c(c1)S(=O)(=O)O)O)C(c3c(C2=O)c(O)c(S(=O)(=O)O)cc3N)=O",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3298,4056,"CHLORPYRIFOS","2921-88-2","CCOP(=S)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl","CCOP(=S)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl","CCOP(=S)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3299,3110,"Cyclopentanecarbonitrile, 2-oxo-","2941-29-9","N#CC1C(CCC1)=O","N#CC1C(CCC1)=O","N#CC1C(CCC1)=O","N#CC1C(CCC1)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3302,720,"Phosphinic acid, dibutyl-, butyl ester","2950-47-2","CCCCOP(=O)(CCCC)CCCC",null,"CCCCOP(=O)(CCCC)CCCC","CCCCOP(=O)(CCCC)CCCC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3303,3502,"3,5-DICHLORO-2,6-DIMETHYL-4-PYRIDINOL","2971-90-6","Cc1c(c(c(c(n1)C)Cl)O)Cl","Cc1c(c(c(c([nH]1)C)Cl)=O)Cl","Cc1c(c(c(c(n1)C)Cl)O)Cl","Cc1c(c(c(c(n1)C)Cl)O)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3305,909,"BIPHENYL, 3,4'-DICHLORO-","2974-90-5","Clc1ccc(cc1)-c2cc(ccc2)Cl","Clc1ccc(cc1)-c2cc(ccc2)Cl","Clc1ccc(cc1)-c2cc(ccc2)Cl","Clc1ccc(cc1)-c2cc(ccc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3306,911,"3,4-DICHLOROBIPHENYL","2974-92-7","Clc1c(cc(cc1)-c2ccccc2)Cl","Clc1c(cc(cc1)-c2ccccc2)Cl","Clc1c(cc(cc1)-c2ccccc2)Cl","Clc1c(cc(cc1)-c2ccccc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3308,3222,"Propanoic acid, 2-(acetyloxy)-, ethyl ester","2985-28-6","CCOC(=O)C(C)OC(C)=O","CCOC(=O)C(C)OC(C)=O","CCOC(=O)C(C)OC(C)=O","CCOC(=O)C(C)OC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3309,3461,"Thiocyanic acid, 4-aminophenyl ester","2987-46-4","N#CSc1ccc(cc1)N","N#CSc1ccc(cc1)N","N#CSc1ccc(cc1)N","N#CSc1ccc(cc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3311,487,"IPATONE","3004-70-4","CCN(CC)c1nc(nc(n1)NC(C)C)OC","CCN(CC)c1nc(nc(n1)NC(C)C)OC","CCN(CC)c1nc(nc(n1)NC(C)C)OC","CCN(CC)c1nc(nc(n1)NC(C)C)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3312,3196,"NORAZINE","3004-71-5","CNc1nc(nc(n1)Cl)NC(C)C","CNc1nc(nc(n1)Cl)NC(C)C","CNc1nc(nc(n1)Cl)NC(C)C","CNc1nc(nc(n1)Cl)NC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3315,2315,"Thiocyanic acid, 2-oxopropyl ester","3029-48-9","CC(=O)CSC#N",null,"CC(=O)CSC#N","CC(=O)CSC#N",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3316,2689,"trimethylolethanetrinitrate","3032-55-1","CC(CO)(CO)CO","CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]","CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[3318,301,"Brompyrazone","3042-84-0","Nc1c(c(n(nc1)-c2ccccc2)=O)Br","Nc1c(c(n(nc1)-c2ccccc2)=O)Br","Nc1c(c(n(nc1)-c2ccccc2)=O)Br","Nc1c(c(n(nc1)-c2ccccc2)=O)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3319,4658,"HEXANEDIOIC ACID, 3-METHYL-; OR 3-methyladipic a","3058-01-3",null,"CC(CCC(=O)O)CC(=O)O",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Illegal Name, Manual Check passed",""]
[3321,4053,"METOBROMURON","3060-89-7","CON(C)C(=O)Nc1ccc(cc1)Br","CON(C)C(=O)Nc1ccc(cc1)Br","CON(C)C(=O)Nc1ccc(cc1)Br","CON(C)C(=O)Nc1ccc(cc1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3322,3234,"DL-Valine, N-acetyl-","3067-19-4","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","4174, 784"]
[3325,4168,"1,1,3-TRIMETHYLCYCLOHEXANE","3073-66-3","CC1CC(CCC1)(C)C","CC1CC(CCC1)(C)C","CC1CC(CCC1)(C)C","CC1CC(CCC1)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3326,458,"ETHANOL, 2,2'- (4-METHYLPHENYL)IMINO BIS-","3077-12-1",null,"Cc1ccc(cc1)N(CCO)CCO","Cc1ccc(cc1)N(CCO)CCO","Cc1ccc(cc1)N(CCO)CCO",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3328,2848,"DL-Alloisoleucine","3107-04-8","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem","301, 1724, 1789, 3806"]
[3329,4592,"1-Butanone, 1-(4-fluorophenyl)-4-(4-hydroxy-4-ph","3109-12-4",null,"O=C(CCCN1CCC(CC1)(O)c2ccccc2)c3ccc(cc3)F",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3332,2687,"L-Asparagine, N2-(aminocarbonyl)-","3130-86-7","NC(=O)CC(NC(N)=O)C(=O)O",null,"N=C(O)CC(NC(=N)O)C(=O)O","N=C(O)CC(NC(=N)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[3333,null,"benzamide,n-(3,4-dichlorophenyl)-n-[(dimethylam","3134-12-1",null,"CN(C)C(=O)N(C(=O)c1ccccc1)c2cc(c(cc2)Cl)Cl",null,"CN(C)C(=O)N(C(=O)c1ccccc1)c2cc(c(cc2)Cl)Cl",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3335,null,"Glycine, N-(N-leucylglycyl)-","3146-41-6","CC(C)CC(N)C(=O)NCC(=O)NCC(=O)O",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[3336,3284,"D-glycero-D-gulo-Heptose","3146-50-7","O=CC(O)C(O)C(O)C(O)C(O)CO","O=CC(O)C(O)C(O)C(O)C(O)CO",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[3339,448,"Phenbutamide","3149-00-6","CCCCNC(=O)NS(=O)(=O)c1ccccc1","CCCCNC(=O)NS(=O)(=O)c1ccccc1","CCCCNC(=O)NS(=O)(=O)c1ccccc1","CCCCNC(=O)NS(=O)(=O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3340,4437,"benzenebutanoicacid,4-methoxy-�-oxo-","3153-44-4",null,"COc1ccc(cc1)C(=O)CCC(=O)O",null,"COc1ccc(cc1)C(=O)CCC(=O)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3342,3378,"2,4,6-Cycloheptatrien-1-one, 5-bromo-2-hydroxy-","3172-00-7","O=c1c(ccc(cc1)Br)O",null,"O=c1c(ccc(cc1)Br)O","O=c1c(ccc(cc1)Br)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3343,3657,"P-METHYLSULFONYLTOLUENE","3185-99-7","Cc1ccc(cc1)S(C)(=O)=O","Cc1ccc(cc1)S(C)(=O)=O","Cc1ccc(cc1)S(C)(=O)=O","Cc1ccc(cc1)S(C)(=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3345,667,"1,2,5,6,9,10-HEXABROMOCYCLODODECANE","3194-55-6","BrC1C(CCC(C(CCC(C(CC1)Br)Br)Br)Br)Br","BrC1C(CCC(C(CCC(C(CC1)Br)Br)Br)Br)Br","BrC1C(CCC(C(CCC(C(CC1)Br)Br)Br)Br)Br","BrC1C(CCC(C(CCC(C(CC1)Br)Br)Br)Br)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3346,null,"Propanoic acid, 2-hydroxy-2-methyl-, propyl este","3196-84-7",{"$nulls":3},"CCCOC(=O)C(C)(C)O",1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3348,403,"MORPHOLINE, 4-(2-HYDROXYBENZOYL)-","3202-84-4","O=C(c1c(cccc1)O)N2CCOCC2","O=C(c1c(cccc1)O)N2CCOCC2",null,"O=C(c1c(cccc1)O)N2CCOCC2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3349,null,"Benzoic acid, 2,5-dihydroxy-4-methyl-","3209-15-2","Cc1c(cc(c(c1)O)C(=O)O)O",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3352,null,"Benzenesulfonamide, 4-amino-N-(4-methoxy-2-pyrim","3213-22-7",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3353,137,"2-ISOPROPYL-6-METHYLPHENOL","3228-04-4","Cc1c(c(ccc1)C(C)C)O","Cc1c(c(ccc1)C(C)C)O","Cc1c(c(ccc1)C(C)C)O","Cc1c(c(ccc1)C(C)C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3355,3031,"2,5-Furandicarboxylic acid","3238-40-2","O=C(O)c1oc(cc1)C(=O)O","O=C(O)c1oc(cc1)C(=O)O","O=C(O)c1oc(cc1)C(=O)O","O=C(O)c1oc(cc1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3356,null,"tetrapropylthiopyrophosphorate","3244-90-4","CCCOP(=O)(OCCC)OP(=S)(OCCC)OCCC","CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC",null,"CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC",2,1,1,"NO","NO",2,1,"Eliminate","-","Manual Check failed"]
[3358,2733,"Peroxide, bis(1-oxopropyl)","3248-28-0","CCC(=O)OOC(=O)CC","CCC(=O)OOC(=O)CC","CCC(=O)OOC(=O)CC","CCC(=O)OOC(=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3359,null,"Spiro[benzofuran-2(3H), 1'-[2]cyclohexene]-3,4'-","3260-51-3",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3361,530,"1,2,3,4,6,7,8,9-OCTACHLORODIBENZO-P-DIOXIN","3268-87-9","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl","Clc1c(c2c(c(c1Cl)Cl)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3362,null,"<1-Methyl-propylidene>-succinic acid","3283-26-9",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3365,353,"2-Naphthalenecarboxylic acid, 1,4-dihydro-","3299-82-9","O=C(O)C=1Cc2c(CC1)cccc2",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on PubChem, Manual Check passed","3379"]
[3366,4300,"2-(P-CHLOROPHENOXY)PROPIONIC ACID","3307-39-9","CC(Oc1ccc(cc1)Cl)C(=O)O","CC(Oc1ccc(cc1)Cl)C(=O)O","CC(Oc1ccc(cc1)Cl)C(=O)O","CC(Oc1ccc(cc1)Cl)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3368,2199,"DIMETHYLGUANIDINE","3324-71-8","CN(C)C(=N)N","CN(C)C(=N)N","CN(C)C(=N)N","CN(C)C(=N)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3369,354,"1-Naphthalenecarboxylic acid, 3,4-dihydro-","3333-23-1","O=C(O)C=1c2c(CCC1)cccc2",null,"O=C(O)C=1c2c(CCC1)cccc2","O=C(O)C=1c2c(CCC1)cccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3371,3331,"D-glycero-L-gulo-Heptitol","3343-95-1","OCC(O)C(O)C(O)C(O)C(O)CO","OCC(O)C(O)C(O)C(O)C(O)CO",null,null,2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed, Checked on PubChem","1868, 2810, 1997"]
[3372,3158,"2-Cyclohexen-1-one, oxime, (E)-","3349-62-0","ON=C1CCCC=C1",null,"ON=C1CCCC=C1","ON=C1CCCC=C1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","3139"]
[3374,1435,"TEMEPHOS","3383-96-8","COP(=S)(OC)Oc1ccc(cc1)Sc2ccc(cc2)OP(=S)(OC)OC","COP(=S)(OC)Oc1ccc(cc1)Sc2ccc(cc2)OP(=S)(OC)OC","COP(=S)(OC)Oc1ccc(cc1)Sc2ccc(cc2)OP(=S)(OC)OC",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3375,2654,"1-Butene, 4-isothiocyanato-","3386-97-8","C=CCCN=C=S","C=CCCN=C=S","C=CCCN=C=S","C=CCCN=C=S",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3378,null,"Propanamide, N,N'-1,2-ethanediylbis-","3403-77-8","CCC(=O)NCCNC(=O)CC",null,null,"CC(CCC(C)C(N)=O)C(N)=O",0,2,2,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3379,353,"2-Naphthalenecarboxylic acid, 1,2-dihydro-","3408-30-8","O=C(O)C1Cc2c(C=C1)cccc2","O=C(O)C1Cc2c(C=C1)cccc2",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","3365"]
[3381,2476,"Pentanediamide","3424-60-0","NC(=O)CCCC(N)=O","NC(=O)CCCC(N)=O","NC(=O)CCCC(N)=O","NC(=O)CCCC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3382,1240,"O,P'-DDE","3424-82-6","ClC(Cl)=C(c1ccc(cc1)Cl)c2c(cccc2)Cl","ClC(Cl)=C(c1ccc(cc1)Cl)c2c(cccc2)Cl","ClC(Cl)=C(c1ccc(cc1)Cl)c2c(cccc2)Cl","ClC(Cl)=C(c1ccc(cc1)Cl)c2c(cccc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3384,2587,"2-Furancarboxylic acid, 4-bromo-","3439-02-9","O=C(O)c1occ(c1)Br",null,"O=C(O)c1occ(c1)Br","O=C(O)c1occ(c1)Br",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3385,4140,"1-NONYNE","3452-09-3","C#CCCCCCCC","C#CCCCCCCC","C#CCCCCCCC","C#CCCCCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3387,1436,"PIPERALIN","3478-94-2","CC1N(CCCC1)CCCOC(=O)c2cc(c(cc2)Cl)Cl","CC1N(CCCC1)CCCOC(=O)c2cc(c(cc2)Cl)Cl","CC1N(CCCC1)CCCOC(=O)c2cc(c(cc2)Cl)Cl","CC1N(CCCC1)CCCOC(=O)c2cc(c(cc2)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3388,1342,"Hyenanchin","3484-46-6","C=C(C)C1(C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O)O","C=C(C)C1(C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O)O","C=C(C)C1(C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O)O","C=C(C)C1(C2C(OC1C(C3(C2(O)C4C(O4)C53OC5)C)O)=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3391,4193,"2,2,5-TRIMETHYLHEXANE","3522-94-9","CC(C)CCC(C)(C)C","CC(C)CCC(C)(C)C","CC(C)CCC(C)(C)C","CC(C)CCC(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3392,null,"butanedioicacid,mono[2-[(dichloroacetyl)amino]","3544-94-3",null,"O=C(O)CCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-]",null,"O=C(O)CCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-]",2,0,2,"NO","NO",2,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[3394,103,"4-(SEC-BUTYL)-2-NITROPHENOL","3555-18-8","CCC(C)c1cc(c(cc1)O)[N+](=O)[O-]","CCC(C)c1cc(c(cc1)O)[N+](=O)[O-]","CCC(C)c1cc(c(cc1)O)[N+](=O)[O-]","CCC(C)c1cc(c(cc1)O)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3395,978,"2,4,6-Trihydroxybenzophenone","3555-86-0","O=C(c1ccccc1)c2c(cc(cc2O)O)O","O=C(c1ccccc1)c2c(cc(cc2O)O)O","O=C(c1ccccc1)c2c(cc(cc2O)O)O","O=C(c1ccccc1)c2c(cc(cc2O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3397,682,"Di-D-fructofuranose 1,2':2,1'-dianhydride","3568-49-8","OCC1C(C(C2(O1)OCC3(OC2)C(C(C(O3)CO)O)O)O)O","OCC1C(C(C2(O1)OCC3(OC2)C(C(C(O3)CO)O)O)O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[3398,null,"sulfanilamide,n1-(5-isobutyl-1,3,4-thiadiazol-2","3571-94-6",null,"CC(C)Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",null,"CC(C)Cc1sc(nn1)NS(=O)(=O)c2ccc(cc2)N",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3401,696,"Propanedioic acid, nonyl-","3578-47-0","CCCCCCCCCC(C(=O)O)C(=O)O",null,"CCCCCCCCCC(C(=O)O)C(=O)O","CCCCCCCCCC(C(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3402,3095,"2,4-HEXADIENEDIOIC ACID, (E,E)-","3588-17-8","O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O","O=C(O)C=CC=CC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1934"]
[3404,1184,"REPOSAL","3625-25-0","CCC1(C(NC(NC1=O)=O)=O)C=2CC3CCC(C2)C3","CCC1(C(NC(NC1=O)=O)=O)C=2CC3CCC(C2)C3","CCC1(C(=NC(N=C1O)=O)O)C=2CC3CCC(C2)C3","CCC1(C(=NC(N=C1O)=O)O)C=2CC3CCC(C2)C3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3405,2828,"Butanoic acid, 2-ethyl-2-hydroxy-","3639-21-2","CCC(O)(CC)C(=O)O","CCC(O)(CC)C(=O)O","CCC(O)(CC)C(=O)O","CCC(O)(CC)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3407,2855,"D-Gluconic acid, 2-amino-2-deoxy-","3646-68-2","NC(C(=O)O)C(O)C(O)C(O)CO","NC(C(=O)O)C(O)C(O)C(O)CO","NC(C(=O)O)C(O)C(O)C(O)CO","NC(C(=O)O)C(O)C(O)C(O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3408,1326,"Benzeneethanamine, N-(phenylmethyl)-","3647-71-0","c1ccc(cc1)CCNCc2ccccc2","c1ccc(cc1)CCNCc2ccccc2","c1ccc(cc1)CCNCc2ccccc2","c1ccc(cc1)CCNCc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3410,501,"Undecanoic acid, 11-hydroxy-","3669-80-5","O=C(O)CCCCCCCCCCO","O=C(O)CCCCCCCCCCO","O=C(O)CCCCCCCCCCO","O=C(O)CCCCCCCCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3411,4572,"Spiro[benzofuran-2(3H), 1'-[2]cyclohexene]-3,4'-","3680-32-8",null,"COC=1C2(C(CC(C1)=O)C)C(c3c(O2)cc(OC)cc3OC)=O",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3414,1818,"CHLOROPHACINONE","3691-35-8","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccc(cc4)Cl","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccc(cc4)Cl","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccc(cc4)Cl","O=C1C(C(c2c1cccc2)=O)C(=O)C(c3ccccc3)c4ccc(cc4)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3415,1604,"5-METHYLCHRYSENE","3697-24-3","Cc1c2c(c3c(c1)cccc3)ccc4c2cccc4","Cc1c2c(c3c(c1)cccc3)ccc4c2cccc4","Cc1c2c(c3c(c1)cccc3)ccc4c2cccc4","Cc1c2c(c3c(c1)cccc3)ccc4c2cccc4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3417,1688,"7-ETHYLBENZ(A)ANTHRACENE","3697-30-1","CCc1c2c(cc3c1cccc3)c4c(cc2)cccc4","CCc1c2c(cc3c1cccc3)c4c(cc2)cccc4","CCc1c2c(cc3c1cccc3)c4c(cc2)cccc4","CCc1c2c(cc3c1cccc3)c4c(cc2)cccc4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3418,3136,"1,3-BENZENEDISULFONAMIDE","3701-01-7","NS(=O)(=O)c1cc(ccc1)S(N)(=O)=O","NS(=O)(=O)c1cc(ccc1)S(N)(=O)=O","NS(=O)(=O)c1cc(ccc1)S(N)(=O)=O","NS(=O)(=O)c1cc(ccc1)S(N)(=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3420,2333,"CROTONIC ACID","3724-65-0","CC=CC(=O)O","CC=CC(=O)O","CC=CC(=O)O","CC=CC(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1060, 1925"]
[3421,3130,"2-PYRIDINEMETHANEAMINE","3731-51-9","NCc1ncccc1","NCc1ncccc1","NCc1ncccc1","NCc1ncccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3423,202,"Cyanthoate","3734-95-0","CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N","CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N","CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N","CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3424,4413,"parathion-amino","3735-01-1",null,"CCOP(=S)(OCC)Oc1ccc(cc1)N",null,"CCOP(=S)(OCC)Oc1ccc(cc1)N",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3427,214,"CYCLOPENTANE, PENTYL-","3741-00-2","CCCCCC1CCCC1","CCCCCC1CCCC1","CCCCCC1CCCC1","CCCCCC1CCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3428,1969,"1,3,2-Dioxathiolane, 2-oxide","3741-38-6","O=S1OCCO1","O=S1OCCO1","O=S1OCCO1","O=S1OCCO1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3430,588,"BUTURON","3766-60-7","C#CC(C)N(C)C(=O)Nc1ccc(cc1)Cl","C#CC(C)N(C)C(=O)Nc1ccc(cc1)Cl","C#CC(C)N(C)C(=O)Nc1ccc(cc1)Cl","C#CC(C)N(C)C(=O)Nc1ccc(cc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3431,4487,"n-methylo-sec-butylphenylcarbamate","3766-81-2",null,"CCC(C)c1c(cccc1)OC(=O)NC",null,"CCC(C)c1c(cccc1)OC(=O)NC",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3433,617,"SULFAMETHOMIDINE","3772-76-7","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C","COc1nc(nc(c1)NS(=O)(=O)c2ccc(cc2)N)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3434,null,"POTASSIUM CHLORATE","3811-04-9","[O-][Cl+2]([O-])[O-]","[O-][Cl+2]([O-])[O-]","[O-][Cl+2]([O-])[O-]","[O-][Cl+2]([O-])[O-]",4,0,0,"NO","NO",null,null,"Eliminate","-","Inorganic"]
[3436,4234,"BENAZOLIN","3813-05-6","O=C(O)Cn1c2c(sc1=O)cccc2Cl","O=C(O)Cn1c2c(sc1=O)cccc2Cl","O=C(O)Cn1c2c(sc1=O)cccc2Cl","O=C(O)Cn1c2c(sc1=O)cccc2Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3437,2184,"Propanedioic acid, dihydrazide","3815-86-9","NNC(=O)CC(=O)NN","NNC(=O)CC(=O)NN","NNC(=O)CC(=O)NN","NNC(=O)CC(=O)NN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3440,2510,"Propanoic acid, 3-methoxy-, methyl ester","3852-09-3","COCCC(=O)OC","COCCC(=O)OC","COCCC(=O)OC","COCCC(=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3441,2869,"D-Gluconic acid, hydrazide","3868-12-0","NNC(=O)C(O)C(O)C(O)C(O)CO","NNC(=O)C(O)C(O)C(O)C(O)CO",null,"NNC(=O)C(O)C(O)C(O)C(O)CO",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[3443,1446,"D-GLUCOSE, 2,3,4,5,6-PENTAACETATE","3891-59-6","CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O","CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O","CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O","CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3444,null,"Hydantoin, 1-[[3-(5-nitro-2-furyl)allylidene]ami","3912-28-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3446,925,"Phenothiazine, 3-iodo-","3939-24-0","Ic1cc2c(cc1)Nc3c(S2)cccc3",null,"Ic1cc2c(cc1)Nc3c(S2)cccc3","Ic1cc2c(cc1)Nc3c(S2)cccc3",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3447,2773,"1,2-BIS(2-CHLOROETHYLSULFONYL)ETHANE","3944-87-4","O=S(=O)(CCCl)CCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCS(=O)(=O)CCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3449,3909,"Benzoic acid, 3-chloro-4-hydroxy-, methyl ester","3964-57-6","COC(=O)c1cc(c(cc1)O)Cl","COC(=O)c1cc(c(cc1)O)Cl","COC(=O)c1cc(c(cc1)O)Cl","COC(=O)c1cc(c(cc1)O)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3450,3318,"2,2-DIMETHYL-3-PENTANOL","3970-62-5","CCC(O)C(C)(C)C","CCC(O)C(C)(C)C","CCC(O)C(C)(C)C","CCC(O)C(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3453,3859,"2,3,6-Trichlorophenoxyacetic acid","4007-00-5","O=C(O)COc1c(c(ccc1Cl)Cl)Cl","O=C(O)COc1c(c(ccc1Cl)Cl)Cl","O=C(O)COc1c(c(ccc1Cl)Cl)Cl","O=C(O)COc1c(c(ccc1Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3454,null,"Glycolic acid, methyl ester, nitrate","4059-62-5","COC(=O)CO",null,"COC(=O)CO[N+](=O)[O-]","COC(=O)CO[N+](=O)[O-]",2,1,1,"NO","YES",null,null,"Eliminate","-","Missing/ambiguous"]
[3456,4027,"Ethanone, 2-methoxy-1-phenyl-","4079-52-1","COCC(=O)c1ccccc1","COCC(=O)c1ccccc1","COCC(=O)c1ccccc1","COCC(=O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3457,4715,"n-(3-chlorallyl)hexaminiumchloride","4080-31-3",null,"ClC=CC[N+]12CN3CN(CN(C1)C3)C2",null,"ClC=CC[N+]12CN3CN(CN(C1)C3)C2",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[3459,2405,"2-BUTEN-1-OL (CIS)","4088-60-2","CC=CCO","CC=CCO","CC=CCO","CC=CCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1423, 3702"]
[3460,1915,"Ethane, 2-chloro-1,1,1-trinitro-","4100-02-1","O=[N+]([O-])C(CCl)([N+](=O)[O-])[N+](=O)[O-]",null,"O=[N+]([O-])C(CCl)([N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])C(CCl)([N+](=O)[O-])[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3463,3801,"dl-2-Octanol","4128-31-8",null,"CCCCCCC(C)O","CCCCCCC(C)O","CCCCCCC(C)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"1433, 3710"]
[3464,490,"DIPROPETRYNE","4147-51-7","CCSc1nc(nc(n1)NC(C)C)NC(C)C","CCSc1nc(nc(n1)NC(C)C)NC(C)C","CCSc1nc(nc(n1)NC(C)C)NC(C)C","CCSc1nc(nc(n1)NC(C)C)NC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3466,2330,"CROTONALDEHYDE","4170-30-3","CC=CC=O","CC=CC=O","CC=CC=O","CC=CC=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1424"]
[3467,null,"Glucopyranose, 2-(N4-acetylsulfanilamido)-2-deox","4181-03-7",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3469,3779,"Propanoic acid, 3-methoxy-, butyl ester","4195-88-4","CCCCOC(=O)CCOC","CCCCOC(=O)CCOC","CCCCOC(=O)CCOC","CCCCOC(=O)CCOC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3470,2304,"Butanedioic acid, chloro-, (S)-","4198-33-8","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem","4092, 3451"]
[3472,3132,"2,4(1H,3H)-Pyrimidinedione, 5-ethyl-","4212-49-1","CCc1c([nH]c([nH]c1)=O)=O","CCc1c([nH]c([nH]c1)=O)=O","CCc1c([nH]c([nH]c1)=O)=O","CCc1c([nH]c([nH]c1)=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3473,2700,"L-Aspartic acid, N-methyl-","4226-18-0","CNC(CC(=O)O)C(=O)O","CNC(CC(=O)O)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[3476,3735,"ethanol,2,2'-thiobis-,diacetate","4275-28-9","OCCSCCO","CC(=O)OCCSCCOC(C)=O","CC(=O)OCCSCCOC(C)=O","CC(=O)OCCSCCOC(C)=O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[3477,1389,"Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis-","4281-16-7","O=C(O)c1c(cccc1)CC(=O)c2c(cccc2)C(=O)O","O=C(O)c1c(cccc1)CC(=O)c2c(cccc2)C(=O)O","O=C(O)c1c(cccc1)CC(=O)c2c(cccc2)C(=O)O","O=C(O)c1c(cccc1)CC(=O)c2c(cccc2)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3479,3870,"1,3-Benzenedicarboxylic acid, 4-nitro-","4315-09-7","O=C(O)c1cc(c(cc1)[N+](=O)[O-])C(=O)O",null,"O=C(O)c1cc(c(cc1)[N+](=O)[O-])C(=O)O","O=C(O)c1cc(c(cc1)[N+](=O)[O-])C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3480,943,"4-CHLOROAZOBENZENE","4340-77-6","Clc1ccc(cc1)N=Nc2ccccc2","Clc1ccc(cc1)N=Nc2ccccc2",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[3482,933,"naphtho[2,1-b]furan-2(1)h-one","4352-63-0",null,"O=C1Oc2c(C1)c3c(cc2)cccc3",null,"O=C1Oc2c(C1)c3c(cc2)cccc3",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[3483,1707,"AJMALINE","4360-12-7","CCC1C(N2C3CC1C4C2CC5(C3N(C)c6c5cccc6)C4O)O","CCC1C(N2C3CC1C4C2CC5(C3N(C)c6c5cccc6)C4O)O","CCC1C(N2C3CC1C4C2CC5(C3N(C)c6c5cccc6)C4O)O","CCC1C(N2C3CC1C4C2CC5(C3N(C)c6c5cccc6)C4O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3485,2466,"Butanoic acid, 4-phosphono-","4378-43-2","O=C(O)CCCP(=O)(O)O","O=C(O)CCCP(=O)(O)O","O=C(O)CCCP(=O)(O)O","O=C(O)CCCP(=O)(O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3486,3652,"BENZENEMETHANOL, 2-HYDROXY-5-METHYL-","4383-07-7","Cc1cc(c(cc1)O)CO","Cc1cc(c(cc1)O)CO","Cc1cc(c(cc1)O)CO","Cc1cc(c(cc1)O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3489,1091,"Niflumic acid","4394-00-7","O=C(O)c1c(nccc1)Nc2cc(ccc2)C(F)(F)F","O=C(O)c1c(nccc1)Nc2cc(ccc2)C(F)(F)F","O=C(O)c1c(nccc1)Nc2cc(ccc2)C(F)(F)F","O=C(O)c1c(nccc1)Nc2cc(ccc2)C(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3490,3743,"2-PROPANONE, 1-(2-PIPERIDINYL)-","4396-01-4","CC(=O)CC1NCCCC1","CC(=O)CC1NCCCC1",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[3492,2722,"2-Butenoic acid, 2,3-dimethyl-","4411-97-6","CC(C)=C(C)C(=O)O",null,"CC(C)=C(C)C(=O)O","CC(C)=C(C)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3493,4352,"5-AMINO-1H-TETRAZOLE","4418-61-5","Nc1[nH]nnn1","Nc1n[nH]nn1","Nc1[nH]nnn1","Nc1[nH]nnn1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3495,2313,"3,5-Morpholinedione","4430-05-1","O=C1NC(COC1)=O",null,"O=C1NC(COC1)=O","O=C1NC(COC1)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3496,3281,"3-METHOXYBUTYL ACETATE","4435-53-4","COC(C)CCOC(C)=O","COC(C)CCOC(C)=O","COC(C)CCOC(C)=O","COC(C)CCOC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3498,2780,"3,4-Hexanedione, dioxime","4437-52-9","CCC(=NO)C(CC)=NO","CCC(N=O)=C(CC)NO","CCC(=NO)C(CC)=NO","CCC(=NO)C(CC)=NO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3499,4492,"morpholine,4,4',4''-phosphinylidynetris-","4441-12-7",null,"O=P(N1CCOCC1)(N2CCOCC2)N3CCOCC3",null,"O=P(N1CCOCC1)(N2CCOCC2)N3CCOCC3",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3502,3731,"Hexanedioic acid, 2,5-dimethyl-","4454-18-6","CC(CCC(C)C(=O)O)C(=O)O","CC(CCC(C)C(=O)O)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[3503,null,"benzenesulfonamide,4-amino-n-(4,5-dimethyl-2-py","4462-43-5",null,"Cc1c(nc(nc1)NS(=O)(=O)c2ccc(cc2)N)C",null,"Cc1c(nc(nc1)NS(=O)(=O)c2ccc(cc2)N)C",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3505,3756,"1,1,3-TRIMETHYLCYCLOPENTANE","4516-69-2","CC1CC(CC1)(C)C","CC1CC(CC1)(C)C","CC1CC(CC1)(C)C","CC1CC(CC1)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3506,2660,"Piperazine-2,5-dione, 3-methyl-","4526-77-6","CC1C(NCC(N1)=O)=O","CC1C(NCC(N1)=O)=O","CC1C(=NCC(=N1)O)O","CC1C(=NCC(=N1)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3508,2864,"n-nitrosoethyl-n-butylamine","4549-44-4","CCCCNCCN=O","CCCCN(CC)N=O","CCCCN(CC)N=O","CCCCN(CC)N=O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[3509,2287,"4-PYRIMIDONE","4562-27-0","O=c1[nH]cncc1","O=c1[nH]cncc1","O=c1nc[nH]cc1","O=c1nc[nH]cc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"4826"]
[3511,null,"2,4,6-Cycloheptatrien-1-one, 3,7-dibromo-2-hydro","4584-66-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3512,3379,"2,4,6-Cycloheptatrien-1-one, 3-bromo-2-hydroxy-","4584-68-3","O=c1c(c(cccc1)Br)O","O=c1c(c(cccc1)Br)O","O=c1c(c(cccc1)Br)O","O=c1c(c(cccc1)Br)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3515,null,"Benzeneacetic acid, .alpha.-hydroxy-4-(1-methyle","4607-63-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3516,692,"LACTULOSE","4618-18-2","OCC1C(C(C(C(O1)OC2C(C(OC2CO)(O)CO)O)O)O)O","OCC1C(C(C(C(O1)OC2C(C(OC2CO)(O)CO)O)O)O)O","OCC1C(C(C(C(O1)OC2C(C(OC2CO)(O)CO)O)O)O)O","OCC1C(C(C(C(O1)OC2C(C(OC2CO)(O)CO)O)O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3518,null,"2,4,6-Cycloheptatrien-1-one, 3,7-dibromo-2-hydro","4636-41-3",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3519,2852,"Carbamic acid, diethyl-, methyl ester","4652-44-2","CCN(CC)C(=O)OC","CCN(CC)C(=O)OC","CCN(CC)C(=O)OC","CCN(CC)C(=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3521,3187,"AZIPROTRYNE","4658-28-0","CSc1nc(nc(n1)N=[N+]=[N-])NC(C)C","CSc1nc(nc(n1)N=[N+]=[N-])NC(C)C","CSc1nc(nc(n1)N=[N+]=[N-])NC(C)C","CSc1nc(nc(n1)N=[N+]=[N-])NC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3522,607,"PARAQUAT ION","4685-14-7","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","C[n+]1ccc(cc1)-c2cc[n+](cc2)C","C[n+]1ccc(cc1)-c2cc[n+](cc2)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"3018"]
[3524,3152,"Phosphonic diamide, P-phenyl-","4707-88-4","NP(N)(=O)c1ccccc1","NP(N)(=O)c1ccccc1","NP(N)(=O)c1ccccc1","NP(N)(=O)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3525,1812,"ANDROMEDOTOXIN","4720-09-6","CC(=O)OC1C23C(CCC1C(C2)(C)O)C(C)(O)C4C(C(C(C4)O)(C)C)(O)C(O)C3","CC(=O)OC1C23C(CCC1C(C2)(C)O)C(C)(O)C4C(C(C(C4)O)(C)C)(O)C(O)C3",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[3528,1117,"N-Phenylphthalamic acid","4727-29-1","O=C(O)c1c(cccc1)C(=O)Nc2ccccc2","O=C(O)c1c(cccc1)C(=O)Nc2ccccc2","O=C(O)c1c(cccc1)C(=O)Nc2ccccc2","O=C(O)c1c(cccc1)C(=O)Nc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3529,1862,"Kryptocyanine","4727-50-8","CCN1c2c(C(C=C1)=CC=Cc3c4c([n+](cc3)CC)cccc4)cccc2","CCN1c2c(C(C=C1)=CC=Cc3c4c([n+](cc3)CC)cccc4)cccc2",null,"CCN1c2c(C(C=C1)=CC=Cc3c4c([n+](cc3)CC)cccc4)cccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3531,null,"O-HYDROXY PHENYLACETAMIDE","4746-61-6",null,"CC(=O)Nc1c(cccc1)O",null,null,1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[3532,4479,"1(3H)-ISOBENZOFURANONE,3,3-DIETHYL","4770-31-4",{"$nulls":3},"CCC1(c2c(C(O1)=O)cccc2)CC",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3534,2536,"Serine, O-ethyl-","4775-82-0","CCOCC(N)C(=O)O",null,"CCOCC(N)C(=O)O","CCOCC(N)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[3535,null,"Propanoic acid, 2,2'-dithiobis-","4775-93-3","CC(SSC(C)C(=O)O)C(=O)O","O=C(O)CCSSCCC(=O)O","CC(SSC(C)C(=O)O)C(=O)O","CC(SSC(C)C(=O)O)C(=O)O",3,1,0,"NO","YES",null,null,"Eliminate","-","Missing/ambiguous"]
[3538,4262,"1-Isobenzofurancarboxamide, 1,3-dihydro-3-oxo-","4792-32-9","NC(=O)C1c2c(C(O1)=O)cccc2",null,"NC(=O)C1c2c(C(O1)=O)cccc2","NC(=O)C1c2c(C(O1)=O)cccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3539,2799,"1-HEXEN-3-OL","4798-44-1","C=CC(O)CCC","C=CC(O)CCC","C=CC(O)CCC","C=CC(O)CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2273, 3541, 5093"]
[3541,2799,"2-HEXENE-4-OL","4798-58-7","CC=CC(O)CC","CC=CC(O)CC","CC=CC(O)CC","CC=CC(O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","2273, 3539, 5093"]
[3542,50,"BROMOPHOS ETHYL","4824-78-6",null,"CCOP(=S)(OCC)Oc1c(cc(c(c1)Cl)Br)Cl","CCOP(=S)(OCC)Oc1c(cc(c(c1)Cl)Br)Cl","CCOP(=S)(OCC)Oc1c(cc(c(c1)Cl)Br)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3544,null,"Coumarin, 4-(diethylcarbamoyl)-","4825-96-1","CCN(CC)C(=O)c1c2c(oc(c1)=O)cccc2",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[3545,4552,"benzenepropanoicacid,.alpha.-oxo-.beta.-phenyl","4834-67-7",null,"O=C(O)C(=O)C(c1ccccc1)c2ccccc2",null,"O=C(O)C(=O)C(c1ccccc1)c2ccccc2",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3547,null,"KASUGAMYCIN","4849-32-5","CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(N)C(=O)O","CN(C)C(=O)Nc1cc(ccc1)OC(=O)NC(C)(C)C","CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)NC(=N)C(=O)O","CN(C)C(=O)Nc1cc(ccc1)OC(=O)NC(C)(C)C",2,2,0,"YES","NO",null,null,"Eliminate","-","Stereochemistry removed, Missing/ambiguous"]
[3548,null,"UREA PHOSPHATE (1:1)","4861-19-2","O=P(O)(O)O","O=P(O)(O)O","O=P(O)(O)O","O=P(O)(O)O",4,0,0,"NO","NO",null,null,"Eliminate","-","Organic counterion, Inorganic"]
[3551,3317,"2,3-DIMETHYL-2-PENTANOL","4911-70-0","CCC(C)C(C)(C)O","CCC(C)C(C)(C)O","CCC(C)C(C)(C)O","CCC(C)C(C)(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3552,3664,"Butanedioic acid, 2,2'-thiobis-","4917-76-4","O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O","O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O","O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O","O=C(O)CC(SC(CC(=O)O)C(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3554,2300,"Acetamide, 2-chloro-N-(chloroacetyl)-","4960-82-1","O=C(CCl)NC(=O)CCl","O=C(CCl)NC(=O)CCl","O=C(CCl)N=C(O)CCl","O=C(CCl)N=C(O)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3555,1656,"2-Benzothiazolesulfenamide, N,N-dicyclohexyl-","4979-32-2","c1cc2c(cc1)sc(SN(C3CCCCC3)C4CCCCC4)n2","c1cc2c(cc1)sc(SN(C3CCCCC3)C4CCCCC4)n2","c1cc2c(cc1)sc(SN(C3CCCCC3)C4CCCCC4)n2","c1cc2c(cc1)sc(SN(C3CCCCC3)C4CCCCC4)n2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3557,4571,"benzoicacid,2-(acetyloxy)-,4-(acetylamino)phe","5003-48-5",null,"CC(=O)Nc1ccc(cc1)OC(=O)c2c(cccc2)OC(C)=O",null,"CC(=O)Nc1ccc(cc1)OC(=O)c2c(cccc2)OC(C)=O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3558,438,"Piperidine, 1-(phenylsulfonyl)-","5033-23-8","O=S(=O)(c1ccccc1)N2CCCCC2","O=S(=O)(c1ccccc1)N2CCCCC2","O=S(=O)(c1ccccc1)N2CCCCC2","O=S(=O)(c1ccccc1)N2CCCCC2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3560,639,"Benzeneacetonitrile, .alpha.-(diethylamino)-","5097-99-4","CCN(CC)C(C#N)c1ccccc1","CCN(CC)C(C#N)c1ccccc1","CCN(CC)C(C#N)c1ccccc1","CCN(CC)C(C#N)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3561,274,"ALPHA-CHLORDANE","5103-71-9","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl","ClC=1C2(C3C(C(C1Cl)(C2(Cl)Cl)Cl)C(Cl)C(Cl)C3)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","137, 3562"]
[3564,306,"Quinoline, 2-(nitromethyl)-","5114-78-3","O=[N+]([O-])Cc1nc2c(cc1)cccc2",null,"O=[N+]([O-])Cc1nc2c(cc1)cccc2","O=[N+]([O-])Cc1nc2c(cc1)cccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3565,4478,"ditalimfos(laptran)","5131-24-8",null,"CCOP(=S)(OCC)N1C(c2c(C1=O)cccc2)=O",null,"CCOP(=S)(OCC)N1C(c2c(C1=O)cccc2)=O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3567,3191,"L-Aspartic acid, N-[(ethylthio)thioxomethyl]-","5139-67-3","CCSC(=S)NC(CC(=O)O)C(=O)O",null,"CCSC(S)=NC(CC(=O)O)C(=O)O","CCSC(S)=NC(CC(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[3568,3759,"Ethane, 1,1'-oxybis[2-[(2-chloroethyl)sulfonyl]-","5143-78-2","O=S(=O)(CCCl)CCOCCS(=O)(=O)CCCl",null,"O=S(=O)(CCCl)CCOCCS(=O)(=O)CCCl","O=S(=O)(CCCl)CCOCCS(=O)(=O)CCCl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3570,null,"…-D-Galactopyranosiduronic acid, methyl, methyl","5155-54-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3571,4292,"1,4-Benzenedicarboxylic acid, 2-methoxy-","5156-00-3","COc1c(ccc(c1)C(=O)O)C(=O)O","COc1c(ccc(c1)C(=O)O)C(=O)O","COc1c(ccc(c1)C(=O)O)C(=O)O","COc1c(ccc(c1)C(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3573,2354,"4-BROMO-1-BUTENE","5162-44-7","C=CCCBr","C=CCCBr","C=CCCBr","C=CCCBr",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3574,4013,"Acetamide, N-(4-chloro-2-methylphenyl)-","5202-86-8","CC(=O)Nc1c(cc(cc1)Cl)C","CC(=O)Nc1c(cc(cc1)Cl)C","CC(=O)Nc1c(cc(cc1)Cl)C","CC(=O)Nc1c(cc(cc1)Cl)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3577,600,"CARBOXIN","5234-68-4","CC=1OCCSC1C(=O)Nc2ccccc2","CC=1OCCSC1C(=O)Nc2ccccc2","CC=1OCCSC1C(=O)Nc2ccccc2","CC=1OCCSC1C(=O)Nc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3578,602,"OXYCARBOXIN","5259-88-1","CC=1OCCS(C1C(=O)Nc2ccccc2)(=O)=O","CC=1OCCS(C1C(=O)Nc2ccccc2)(=O)=O","CC=1OCCS(C1C(=O)Nc2ccccc2)(=O)=O","CC=1OCCS(C1C(=O)Nc2ccccc2)(=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3580,3722,"CYCLOHEXYLACETIC ACID","5292-21-7","O=C(O)CC1CCCCC1","O=C(O)CC1CCCCC1","O=C(O)CC1CCCCC1","O=C(O)CC1CCCCC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3581,1668,"Propanamide, N-hexadecyl-2-hydroxy-","5323-53-5","CCCCCCCCCCCCCCCCNC(=O)C(C)O","CCCCCCCCCCCCCCCCNC(=O)C(C)O","CCCCCCCCCCCCCCCCN=C(O)C(C)O","CCCCCCCCCCCCCCCCN=C(O)C(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3583,4679,"d-gluconicacid,2,4:3,5-di-o-methylene-","5323-77-3",null,"O=C(O)C1C2C(OCO1)C(CO)OCO2",null,"O=C(O)C1C2C(OCO1)C(CO)OCO2",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3584,null,"SULFAMIC ACID","5329-14-6","NS(=O)(=O)O","NS(=O)(=O)O","NS(=O)(=O)O","NS(=O)(=O)O",4,0,0,"NO","NO",null,null,"Eliminate","-","Inorganic"]
[3586,4138,"2,5-Pyrrolidinedione, 1-pentyl-","5332-35-4","CCCCCN1C(CCC1=O)=O","CCCCCN1C(CCC1=O)=O","CCCCCN1C(CCC1=O)=O","CCCCCN1C(CCC1=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3587,4642,"phosphonicacid,3-(nitrophenyl)-","5337-19-9",null,"O=[N+]([O-])c1cc(ccc1)P(=O)(O)O",null,"O=[N+]([O-])c1cc(ccc1)P(=O)(O)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3590,2233,"2,3-BUTANEDIOL (MESO)","5341-95-7","CC(O)C(C)O","CC(O)C(C)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem","1963"]
[3591,2012,"Methanesulfonamide, N-(methylsulfonyl)-","5347-82-0","CS(=O)(=O)NS(C)(=O)=O","CS(=O)(=O)NS(C)(=O)=O","CS(=O)(=O)NS(C)(=O)=O","CS(=O)(=O)NS(C)(=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3593,3278,"Propionic acid, 3-methoxy-, propyl ester","5349-56-4","CCCOC(=O)CCOC","CCCOC(=O)CCOC",null,"CCCOC(=O)CCOC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3594,4690,"1,1,4,4-Tetramethoxy-but-2-ene","5370-08-1","COC(C=CC(OC)OC)OC","COC(C=CC(OC)OC)OC",null,null,2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[3596,166,"CITRAL","5392-40-5","CC(C)=CCCC(C)=CC=O","CC(C)=CCCC(C)=CC=O","CC(C)=CCCC(C)=CC=O","CC(C)=CCCC(C)=CC=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3597,174,"CIS-1,2,2-TRIMETHYL-1,3-CYCLOPENTANEDICARBOXYL*","5394-83-2","CC1(C(C(CC1)C(=O)O)(C)C)C(=O)O","CC1(C(C(CC1)C(=O)O)(C)C)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","1453"]
[3600,364,"3-Pyridinamine, 6-[(4-aminophenyl)sulfonyl]-","5401-26-3","Nc1ccc(cc1)S(=O)(=O)c2ncc(cc2)N","Nc1ccc(cc1)S(=O)(=O)c2ncc(cc2)N","Nc1ccc(cc1)S(=O)(=O)c2ncc(cc2)N","Nc1ccc(cc1)S(=O)(=O)c2ncc(cc2)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3601,79,"Acetic acid, (3,5-dimethylphenoxy)-","5406-14-4","Cc1cc(cc(c1)C)OCC(=O)O","Cc1cc(cc(c1)C)OCC(=O)O",null,"Cc1cc(cc(c1)C)OCC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3603,3634,"1,3,7-TRIMETHYL URIC ACID","5415-44-1","Cn1c(n(c2c(c1=O)n(c([nH]2)=O)C)C)=O","Cn1c(n(c2c(c1=O)n(c([nH]2)=O)C)C)=O",null,"Cn1c(n(c2c(c1=O)n(c([nH]2)=O)C)C)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3604,4188,"N-hexyl-lactamide","5422-39-9","CCCCCCNC(=O)C(C)O","CCCCCCNC(=O)C(C)O","CCCCCCN=C(O)C(C)O","CCCCCCN=C(O)C(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3606,4407,"1h-purine-2,6-dione,8-ethyl-3,7-dihydro-1,3,7-t","5426-50-6",null,"CCc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",null,"CCc1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3607,595,"Imidodicarbonimidic diamide, N-2-naphthalenyl-","5426-97-1","N=C(N)NC(=N)Nc1cc2c(cc1)cccc2","NC(N)=NC(N)=Nc1cc2c(cc1)cccc2",null,"NC(N)=NC(N)=Nc1cc2c(cc1)cccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[3609,3537,"PHENOL, 2-METHYL-5-NITRO-","5428-54-6","Cc1c(cc(cc1)[N+](=O)[O-])O","Cc1c(cc(cc1)[N+](=O)[O-])O","Cc1c(cc(cc1)[N+](=O)[O-])O","Cc1c(cc(cc1)[N+](=O)[O-])O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3610,null,"carbamothioicacid,s-[2-oxo-2-(phenylamino)ethy","5428-95-5",null,"NC(=O)SCC(=O)Nc1ccccc1",null,"NC(=O)SCC(=O)Nc1ccccc1",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3613,null,"Propanoic acid, 2-amino-3-(4-chlorobenzenesulfon","5445-04-5",{"$nulls":3},"NC(CS(=O)(=O)c1ccc(cc1)Cl)C(=O)O",1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3614,387,"Benzeneacetic acid, 4-(acetyloxy)-3-methoxy-","5447-38-1","COc1c(ccc(c1)CC(=O)O)OC(C)=O","COc1c(ccc(c1)CC(=O)O)OC(C)=O","COc1c(ccc(c1)CC(=O)O)OC(C)=O","COc1c(ccc(c1)CC(=O)O)OC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3616,4515,"4h-pyran-3,5-dicarboxylicacid,2,6-dimethyl-4-o","5456-14-4",null,"CCOC(=O)c1c(c(c(oc1C)C)C(=O)OCC)=O",null,"CCOC(=O)c1c(c(c(oc1C)C)C(=O)OCC)=O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3617,3047,"Benzenamine, 2-iodo-5-nitro-","5459-50-7","Nc1c(ccc(c1)[N+](=O)[O-])I","Nc1c(ccc(c1)[N+](=O)[O-])I","Nc1c(ccc(c1)[N+](=O)[O-])I","Nc1c(ccc(c1)[N+](=O)[O-])I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3619,3714,"DL-Methionine, N-(2-cyanoethyl)-","5464-31-3","CSCCC(NCCC#N)C(=O)O",null,null,"CSCCC(NCCC#N)C(=O)O",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[3620,null,"N,N'bis-<2-cyano-ethyl>-alanine","5464-34-6",{"$nulls":3},"CC(C(=O)O)N(CCC#N)CCC#N",1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3622,455,"DL-Methionine, N,N-bis(2-cyanoethyl)-","5464-40-4","CSCCC(C(=O)O)N(CCC#N)CCC#N",null,null,"CSCCC(C(=O)O)N(CCC#N)CCC#N",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[3623,498,"Propanoic acid, 2-hydroxy-, octyl ester","5464-71-1","CCCCCCCCOC(=O)C(C)O","CCCCCCCCOC(=O)C(C)O","CCCCCCCCOC(=O)C(C)O","CCCCCCCCOC(=O)C(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3626,null,"Succinic acid, 2,3-dibromo-2-methyl-, erythro-(.","5469-23-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3627,3181,"2-Butenedioic acid, 2-propyl-, (E)-","5469-28-3","CCCC(=CC(=O)O)C(=O)O","CCCC(=CC(=O)O)C(=O)O",null,"CCCC(=CC(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[3629,1220,"2,6-DI-SEC-BUTYLPHENOL","5510-99-6","CCC(C)c1c(c(ccc1)C(C)CC)O","CCC(C)c1c(c(ccc1)C(C)CC)O","CCC(C)c1c(c(ccc1)C(C)CC)O","CCC(C)c1c(c(ccc1)C(C)CC)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3630,1461,"Pyrene, 1-nitro-","5522-43-0","O=[N+]([O-])c1c2ccc3cccc4ccc(cc1)c2c43","O=[N+]([O-])c1c2ccc3cccc4ccc(cc1)c2c43","O=[N+]([O-])c1c2ccc3cccc4ccc(cc1)c2c43","O=[N+]([O-])c1c2ccc3cccc4ccc(cc1)c2c43",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3632,653,"6-PHENYLCAPROIC ACID","5581-75-9","O=C(O)CCCCCc1ccccc1","O=C(O)CCCCCc1ccccc1",null,"O=C(O)CCCCCc1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3633,3810,"3-Methyl-3-heptanol","5582-82-1","CCCCC(C)(O)CC","CCCCC(C)(O)CC",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","2344"]
[3635,3504,"CHLORPYRIFOS METHYL","5598-13-0","COP(=S)(OC)Oc1c(cc(c(n1)Cl)Cl)Cl","COP(=S)(OC)Oc1c(cc(c(n1)Cl)Cl)Cl","COP(=S)(OC)Oc1c(cc(c(n1)Cl)Cl)Cl","COP(=S)(OC)Oc1c(cc(c(n1)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3636,2031,"TRIAMCINOLONE HEXACETONIDE","5611-51-8","CC(C)(C)CC(=O)OCC(=O)C12C(OC(O1)(C)C)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C","CC(C)(C)CC(=O)OCC(=O)C12C(OC(O1)(C)C)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C","CC(C)(C)CC(=O)OCC(=O)C12C(OC(O1)(C)C)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C","CC(C)(C)CC(=O)OCC(=O)C12C(OC(O1)(C)C)CC3C2(CC(C4(C3CCC=5C4(C=CC(C5)=O)C)F)O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3639,null,"7H-Purine-7-acetaldehyde, 1,2,3,6-tetrahydro-1,3","5614-53-9",{"$nulls":3},"Cn1c(n(c2c(c1=O)n(cn2)CC=O)C)=O",1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[3640,null,"1h-purine-1-aceticacid,2,3,6,7-tetrahydro-3,7-","5614-56-2",null,"Cn1c2c(nc1)n(c(n(c2=O)CC(=O)O)=O)C",null,"Cn1c2c(nc1)n(c(n(c2=O)CC(=O)O)=O)C",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3642,4434,"2,5-Piperazinedione, 3-[(4-hydroxyphenyl)methyl]","5625-49-0",null,null,"OC=1CN=C(C(N1)Cc2ccc(cc2)O)O","OC=1CN=C(C(N1)Cc2ccc(cc2)O)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3643,4433,"2-Pyrrolidinecarboxamide, 5-oxo-N-phenyl-","5626-54-0","O=C1NC(CC1)C(=O)Nc2ccccc2",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on PubChem, Manual Check passed",""]
[3645,1703,"Dimethindene","5636-83-9","CC(C=1c2c(CC1CCN(C)C)cccc2)c3ncccc3","CC(C=1c2c(CC1CCN(C)C)cccc2)c3ncccc3","CC(C=1c2c(CC1CCN(C)C)cccc2)c3ncccc3","CC(C=1c2c(CC1CCN(C)C)cccc2)c3ncccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3646,null,"Ethane, 1,1'-[oxybis(methyleneoxy)]bis-","5648-29-3","CCOCOCOCC",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3648,932,"Naphtho[1,2-c]furan-1(3H)-one","5657-01-2","O=C1c2c(CO1)ccc3c2cccc3","O=C1c2c(CO1)ccc3c2cccc3","O=C1c2c(CO1)ccc3c2cccc3","O=C1c2c(CO1)ccc3c2cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3649,3547,"Glycine, N-(2-furanylcarbonyl)-","5657-19-2","O=C(O)CNC(=O)c1occc1","O=C(O)CNC(=O)c1occc1","O=C(O)CNC(=O)c1occc1","O=C(O)CNC(=O)c1occc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3652,null,"5-Thiazolecarboxylic acid, 2-[[(4-aminophenyl)su","5664-51-7",null,"Nc1ccc(cc1)S(=O)(=O)Nc2sc(cn2)C(=O)O",null,null,1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3653,null,"Altraric acid","5666-23-9","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[3655,4050,"Benzenepropanoic acid, .alpha.,.beta.-dihydroxy-","5695-95-4","O=C(O)C(O)C(O)c1ccccc1",null,"O=C(O)C(O)C(O)c1ccccc1","O=C(O)C(O)C(O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3656,2646,"Acetylpyruvic acid","5699-58-1","CC(=O)CC(=O)C(=O)O","CC(=O)CC(=O)C(=O)O","CC(=O)CC(=O)C(=O)O","CC(=O)CC(=O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3658,null,"Hexanedioic acid, 2,5-dihydroxy-2,5-dimethyl-","5739-18-4","CC(O)(CCC(C)(O)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3659,3596,"1-Triazene, 3-hydroxy-3-methyl-1-phenyl-","5756-69-4","CN(O)N=Nc1ccccc1","CN(O)N=Nc1ccccc1",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[3661,null,"Cis-1,2-bis-(1-methyl-3-oxo-but-1-enylamino)-cyc","5769-37-9",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3662,3280,"2-Propanone, 1,1-diethoxy-","5774-26-5","CCOC(OCC)C(C)=O","CCOC(OCC)C(C)=O","CCOC(OCC)C(C)=O","CCOC(OCC)C(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3665,null,"purine-1(2h)-propionicacid,3,6-dihydro-3,7-dim","5815-65-6",null,"Cn1c2c(nc1)n(c(n(c2=O)CCC(=O)O)=O)C",null,"Cn1c2c(nc1)n(c(n(c2=O)CCC(=O)O)=O)C",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3666,2388,"1,1'-SULFINYLBIS(2-CHLOROETHANE)","5819-08-9","O=S(CCCl)CCCl","O=S(CCCl)CCCl","O=S(CCCl)CCCl","O=S(CCCl)CCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3668,4215,"APHIDAN","5827-05-4","CCS(=O)CSP(=S)(OC(C)C)OC(C)C","CCS(=O)CSP(=S)(OC(C)C)OC(C)C","CCS(=O)CSP(=S)(OC(C)C)OC(C)C","CCS(=O)CSP(=S)(OC(C)C)OC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3669,4599,"1,8,15,22-tetraazacyclooctacosane-2,9,16,23-tetr","5834-63-9",null,"O=C1NCCCCCC(NCCCCCC(NCCCCCC(NCCCCC1)=O)=O)=O",null,"O=C1NCCCCCC(NCCCCCC(NCCCCCC(NCCCCC1)=O)=O)=O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3671,1478,"ISOPROPYL-4,4'-DICHLOROBENZILATE","5836-10-2","CC(C)OC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl","CC(C)OC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl","CC(C)OC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl","CC(C)OC(=O)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3672,4584,"endrocide(endox)(coumatetralyl)","5836-29-3",null,"O=c1c2c(oc(c1C3c4c(CCC3)cccc4)O)cccc2",null,"O=c1c(c(c2c(o1)cccc2)O)C3c4c(CCC3)cccc4",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3675,null,"DL-Alanine, N-formyl-","5893-10-7","CC(NC=O)C(=O)O","CCCCCCc1ccc(cc1)C(=O)Nc2cc(c(cc2)N3CCCC3)C(=O)NCCCOCC","CC(N=CO)C(=O)O","CC(N=CO)C(=O)O",3,1,0,"NO","YES",null,null,"Eliminate","-","Stereochemistry removed, Missing/ambiguous"]
[3676,4108,"TERBACIL","5902-51-2","Cc1c(c(n(c([nH]1)=O)C(C)(C)C)=O)Cl","Cc1c(c(n(c([nH]1)=O)C(C)(C)C)=O)Cl","Cc1c(c(n(c([nH]1)=O)C(C)(C)C)=O)Cl","Cc1c(c(n(c([nH]1)=O)C(C)(C)C)=O)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3678,2269,"thioperoxydiphosphoricacid,tetramethylester","5930-71-2","COP(=O)(OC)OOP(=S)(OC)OC","COP(=S)(OC)SSP(=S)(OC)OC","COP(=S)(OC)SSP(=S)(OC)OC","COP(=S)(OC)SSP(=S)(OC)OC",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[3679,4200,"4-NONANOL","5932-79-6","CCCCCC(O)CCC","CCCCCC(O)CCC","CCCCCC(O)CCC","CCCCCC(O)CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3681,3972,"2H-Pyran-5-carboxylic acid, 2-oxo-, ethyl ester","5942-96-1","CCOC(=O)c1coc(cc1)=O","CCOC(=O)c1coc(cc1)=O","CCOC(=O)c1coc(cc1)=O","CCOC(=O)c1coc(cc1)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3682,3149,"1,2,3-propanetricarboxylicacid,2-hydroxy-,mon","5949-29-1",null,"O=C(O)CC(O)(CC(=O)O)C(=O)O",null,"O=C(O)CC(O)(CC(=O)O)C(=O)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed","427, 2719"]
[3684,null,"Benzenesulfonamide, 4-(D-glucopyranoxylamino)-","5962-25-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3685,2179,"Propanoic acid, 3-phosphono-","5962-42-5","O=C(O)CCP(=O)(O)O","O=C(O)CCP(=O)(O)O","O=C(O)CCP(=O)(O)O","O=C(O)CCP(=O)(O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3688,155,"D-LIMONENE","5989-27-5","C=C(C)C1CCC(=CC1)C","C=C(C)C1CCC(=CC1)C","C=C(C)C1CCC(=CC1)C","C=C(C)C1CCC(=CC1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","858, 1542, 2258"]
[3689,725,"Ethanamine, 2,2'-thiobis[N,N-diethyl-","6006-58-2","CCN(CC)CCSCCN(CC)CC","CCN(CC)CCSCCN(CC)CC","CCN(CC)CCSCCN(CC)CC","CCN(CC)CCSCCN(CC)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3691,2554,"2-PENTANOL","6032-29-7","CCCC(C)O","CCCC(C)O","CCCC(C)O","CCCC(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3692,1787,"NARCOTINE","6035-40-1","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC","COc1c(c2c(cc1)C(OC2=O)C3N(CCc4c3c(c5c(c4)OCO5)OC)C)OC",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","1488"]
[3694,2762,"Propanamide, N-(1-oxopropyl)-","6050-26-6","CCC(=O)NC(=O)CC","CCC(=O)NC(=O)CC","CCC(=O)NC(=O)CC","CCC(=O)NC(=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3695,null,"1h-purine-2,6-dione,3,7-dihydro-3,7,8-trimethyl","6050-42-6",null,"CC1Cc2c(CC1)c(c(s2)NC(=O)c3cnccc3)C(=O)Nc4ccccc4",null,"CC1Cc2c(CC1)c(c(s2)NC(=O)c3cnccc3)C(=O)Nc4ccccc4",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3697,1124,"Benzenamine, 4,4'-(1,2-ethynediyl)bis-","6052-15-9","Nc1ccc(cc1)C#Cc2ccc(cc2)N","Nc1ccc(cc1)C#Cc2ccc(cc2)N","Nc1ccc(cc1)C#Cc2ccc(cc2)N","Nc1ccc(cc1)C#Cc2ccc(cc2)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3698,974,"C.I. 14010","6054-99-5",{"$nulls":3},"O=C(O)c1c(ccc(c1)N=Nc2ccc(cc2)S(=O)(=O)O)O",1,0,3,"NO","NO",null,null,"Mantain","Medium Reliability","Organic counterion, Checked on ChemID, Checked on PubChem",""]
[3701,null,"2-Butanol, 1,1,1-trichloro-","6111-61-1","CCC(O)C(Cl)(Cl)Cl",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3702,2405,"2-Buten-1-ol","6117-91-5","CC=CCO","CC=CCO","CC=CCO","CC=CCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1423, 3459"]
[3704,3272,"1,3-DIOXOLANE, 2-(2-METHYLPROPYL)-","6135-52-0","CC(C)CC1OCCO1",null,"CC(C)CC1OCCO1","CC(C)CC1OCCO1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3705,989,"Benzenesulfonamide, 4-amino-N-2-benzothiazolyl-","6138-01-8","Nc1ccc(cc1)S(=O)(=O)Nc2sc3c(n2)cccc3","Nc1ccc(cc1)S(=O)(=O)Nc2sc3c(n2)cccc3",null,null,2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[3707,4356,"Methanamine, N-chloro-","6154-14-9","CNCl","CNCl","CNCl","CNCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3708,null,"BENZOIC ACID, 3,4-DIMETHOXY-, MONOHYDRATE","6159-60-0","COc1c(cc(cc1)C(=O)O)OC",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[3710,3801,"2-Octanol","6169-06-8","CCCCCCC(C)O","CCCCCCC(C)O","CCCCCCC(C)O","CCCCCCC(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1433, 3463"]
[3711,null,"Benzoic acid, 2-hydroxy-, 2,3-dihydroxypropyl es","6170-45-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3714,2303,"2-Butenoic acid, 3-chloro-, (Z)-","6213-90-7","CC(Cl)=CC(=O)O","CC(Cl)=CC(=O)O",null,"CC(Cl)=CC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","3715"]
[3715,2303,"3-Chlorocrotonic acid","6214-28-4","CC(Cl)=CC(=O)O","CC(Cl)=CC(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem","3714"]
[3717,null,"Acetic acid, 2,2'-selenobis-","6228-62-2","O=C(O)C[Se]CC(=O)O","O=C(O)C[Se]CC(=O)O","O=C(O)C[Se]CC(=O)O","O=C(O)C[Se]CC(=O)O",4,0,0,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[3718,2596,"NIFUROXIME","6236-05-1","O=[N+]([O-])c1oc(cc1)C=NO","O=[N+]([O-])c1oc(cc1)C=NO","O=[N+]([O-])c1oc(cc1)C=NO","O=[N+]([O-])c1oc(cc1)C=NO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3720,1023,"2H-Azepin-2-one, 1-benzoylhexahydro-","6248-28-8","O=C1N(CCCCC1)C(=O)c2ccccc2","O=C1N(CCCCC1)C(=O)c2ccccc2","O=C1N(CCCCC1)C(=O)c2ccccc2","O=C1N(CCCCC1)C(=O)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3721,1768,"C.I. DISPERSE ORANGE 13","6253-10-7","O=C1C=CC(C=C1)=NNc2c3c(c(cc2)N=Nc4ccccc4)cccc3","O=C1C=CC(C=C1)=NNc2c3c(c(cc2)N=Nc4ccccc4)cccc3","Oc1ccc(cc1)N=Nc2c3c(c(cc2)N=Nc4ccccc4)cccc3","Oc1ccc(cc1)N=Nc2c3c(c(cc2)N=Nc4ccccc4)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Organic counterion",""]
[3723,470,"2-Bornanecarboxylic acid, 2-amino-","6266-05-3","CC1(C2(CCC1CC2(N)C(=O)O)C)C","CC1(C2(CCC1CC2(N)C(=O)O)C)C","CC1(C2(CCC1CC2(N)C(=O)O)C)C","CC1(C2(CCC1CC2(N)C(=O)O)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3724,null,"DIETHYLAMINE, HYDROBROMIDE","6274-12-0","Br","Br","Br","Br",4,0,0,"NO","NO",null,null,"Eliminate","-","Organic counterion, Inorganic"]
[3727,1078,"Lactamide, N-decyl-","6280-24-6","CCCCCCCCCCNC(=O)C(C)O","CCCCCCCCCCNC(=O)C(C)O","CCCCCCCCCCN=C(O)C(C)O","CCCCCCCCCCN=C(O)C(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3728,null,"propanoicacid,2-hydroxy-,1-methyl-2-oxo-2-(2-","6283-80-3",null,"C=CCOC(=O)C(C)OC(=O)C(C)O",null,"C=CCOC(=O)C(C)OC(=O)C(C)O",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3730,2735,"Propanoic acid, 2-(acetyloxy)-, methyl ester","6284-75-9","COC(=O)C(C)OC(C)=O","COC(=O)C(C)OC(C)=O","COC(=O)C(C)OC(C)=O","COC(=O)C(C)OC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3731,4633,"propanoicacid,2-[(methoxycarbonyl)oxy]-,methy","6288-11-5",null,"COC(=O)OC(C)C(=O)OC",null,"COC(=O)OC(C)C(=O)OC",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3733,30,"5-Quinoxalinamine, 6,7-dimethoxy-","6295-30-3","COc1c(c(c2c(c1)nccn2)N)OC","COc1c(c(c2c(c1)nccn2)N)OC","COc1c(c(c2c(c1)nccn2)N)OC","COc1c(c(c2c(c1)nccn2)N)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3734,4090,"Urea, 1-methyl-1-p-tolyl-","6305-07-3","Cc1ccc(cc1)N(C)C(N)=O","Cc1ccc(cc1)N(C)C(N)=O",null,"Cc1ccc(cc1)N(C)C(N)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3737,4464,"2,4(1h,3h)-pyrimidinedione,5-methyl-1-(phenylme","6306-73-6",null,"Cc1c([nH]c(n(c1)Cc2ccccc2)=O)=O",null,"Cc1c([nH]c(n(c1)Cc2ccccc2)=O)=O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3738,2326,"1H-Imidazole-4-sulfonic acid, 5-methyl-","6307-14-8","Cc1c(nc[nH]1)S(=O)(=O)O","Cc1c(nc[nH]1)S(=O)(=O)O","Cc1c(nc[nH]1)S(=O)(=O)O","Cc1c(nc[nH]1)S(=O)(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3740,3353,"Benzoic acid, 4-bromo-3-nitro-","6319-40-0","O=C(O)c1cc(c(cc1)Br)[N+](=O)[O-]","O=C(O)c1cc(c(cc1)Br)[N+](=O)[O-]","O=C(O)c1cc(c(cc1)Br)[N+](=O)[O-]","O=C(O)c1cc(c(cc1)Br)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3741,1692,"9-Acridinol, 9,10-dihydro-10-methyl-9-phenyl-","6321-72-8","CN1c2c(C(c3c1cccc3)(O)c4ccccc4)cccc2","CN1c2c(C(c3c1cccc3)(O)c4ccccc4)cccc2","CN1c2c(C(c3c1cccc3)(O)c4ccccc4)cccc2","CN1c2c(C(c3c1cccc3)(O)c4ccccc4)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3743,4716,"N-<2-cyano-ethyl>-L-leucine","6328-87-6",null,"CC(C)CC(NCCC#N)C(=O)O",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3744,92,"DL-Aspartic acid, N,N-bis(2-cyanoethyl)-","6328-90-1","N#CCCN(CCC#N)C(CC(=O)O)C(=O)O","N#CCCN(CCC#N)C(CC(=O)O)C(=O)O",null,"N#CCCN(CCC#N)C(CC(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3746,75,"Benzeneacetic acid, 2,4-dimethyl-","6331-04-0","Cc1cc(c(cc1)CC(=O)O)C","Cc1cc(c(cc1)CC(=O)O)C","Cc1cc(c(cc1)CC(=O)O)C","Cc1cc(c(cc1)CC(=O)O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3747,623,"Acetic acid, [2-methoxy-4-(2-propenyl)phenoxy]-","6331-61-9","C=CCc1cc(c(cc1)OCC(=O)O)OC","C=CCc1cc(c(cc1)OCC(=O)O)OC","C=CCc1cc(c(cc1)OCC(=O)O)OC","C=CCc1cc(c(cc1)OCC(=O)O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"3851"]
[3750,4303,"Cloxyfonac","6386-63-6",null,"O=C(O)COc1c(cc(cc1)Cl)CO","O=C(O)COc1c(cc(cc1)Cl)CO","O=C(O)COc1c(cc(cc1)Cl)CO",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3751,1443,"Allyxycarb [BSI:ISO]","6392-46-7","C=CCN(CC=C)c1c(cc(cc1C)OC(=O)NC)C","C=CCN(CC=C)c1c(cc(cc1C)OC(=O)NC)C",null,"C=CCN(CC=C)c1c(cc(cc1C)OC(=O)NC)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3753,2046,"(Nitrilotris(methylene))triphosphonic acid","6419-19-8","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O","O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[3754,945,"3-chlorodiphenylether","6452-49-9","Clc1cc(ccc1)Nc2ccccc2","Clc1cc(ccc1)Oc2ccccc2","Clc1cc(ccc1)Oc2ccccc2","Clc1cc(ccc1)Oc2ccccc2",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[3756,null,"Glycine, N-methyl-N-[[(phenylmethyl)thio]thioxom","6477-73-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3757,null,"Glycine, N-(dithiocarboxy)-N-phenyl-, S-benzyl e","6477-90-3",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3759,1089,"Salicylanilide, 4'-chloro-5-nitro-","6490-98-8","O=C(Nc1ccc(cc1)Cl)c2c(ccc(c2)[N+](=O)[O-])O","O=C(Nc1ccc(cc1)Cl)c2c(ccc(c2)[N+](=O)[O-])O","O=C(Nc1ccc(cc1)Cl)c2c(ccc(c2)[N+](=O)[O-])O","O=C(Nc1ccc(cc1)Cl)c2c(ccc(c2)[N+](=O)[O-])O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3760,1090,"Salicylanilide, 4'-chloro-3-nitro-","6490-99-9","O=C(Nc1ccc(cc1)Cl)c2c(c(ccc2)[N+](=O)[O-])O","O=C(Nc1ccc(cc1)Cl)c2c(c(ccc2)[N+](=O)[O-])O","O=C(Nc1ccc(cc1)Cl)c2c(c(ccc2)[N+](=O)[O-])O","O=C(Nc1ccc(cc1)Cl)c2c(c(ccc2)[N+](=O)[O-])O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3763,654,"Benzoic acid, 4-hydroxy-, pentyl ester","6521-29-5","CCCCCOC(=O)c1ccc(cc1)O","CCCCCOC(=O)c1ccc(cc1)O","CCCCCOC(=O)c1ccc(cc1)O","CCCCCOC(=O)c1ccc(cc1)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3764,1749,"Norgestrel","6533-00-2","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)CC)O","C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)CC)O",null,"C#CC1(C2(C(CC1)C3C(C4C(CC3)=CC(=O)CC4)CC2)CC)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[3766,4427,"4-oxo-1,2,3,4-tetrahydro-<2>naphthoic acid","6566-40-1",null,"O=C1c2c(CC(C1)C(=O)O)cccc2",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3767,2524,"NORVALINE","6600-40-4","CCCC(N)C(=O)O","CCCC(N)C(=O)O","CCCC(N)C(=O)O",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","1900, 2675"]
[3769,2789,"L-Serine, N-L-seryl-","6620-95-7","NC(CO)C(=O)NC(CO)C(=O)O","NC(CO)C(=O)NC(CO)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[3770,null,"butyricacid,2-formamido-3-methoxy-,dl-","6622-23-7",null,"CC(C)Oc1ccc(cc1)COc2c(cc(cc2)CC(=O)O)Cl",null,"CC(C)Oc1ccc(cc1)COc2c(cc(cc2)CC(=O)O)Cl",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3772,null,"sulfone,1-bromoethylethyl","6668-12-8","CCS(=O)(=O)C(C)Br","COc1c(cc(cc1)C)NC(=S)NN=Cc2cc(ccc2)[N+](=O)[O-]",null,"COc1c(cc(cc1)C)NC(=S)NN=Cc2cc(ccc2)[N+](=O)[O-]",2,1,1,"NO","NO",2,1,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[3773,399,"2-Pyrrolidinone, 5-methyl-1-phenyl-","6724-71-6","CC1N(C(CC1)=O)c2ccccc2","CC1N(C(CC1)=O)c2ccccc2","CC1N(C(CC1)=O)c2ccccc2","CC1N(C(CC1)=O)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3776,null,"Phthalic acid, 3-nitro-, 2-propyl ester","6744-86-1","CC(C)OC(=O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O",null,"CCCOC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]","CCCOC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",2,1,1,"NO","YES",null,null,"Eliminate","-","Missing/ambiguous"]
[3777,368,"Phthalic acid, 3-nitro-, 2-isopropyl ester","6744-87-2","CC(C)OC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",null,"CC(C)OC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]","CC(C)OC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3779,null,"Phthalic acid, 3-nitro-, isopentyl ester","6744-92-9","CC(C)CCOC(=O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[3780,4120,"phosphinic acid, mesityl-","6781-97-1","Cc1cc(c(c(c1)C)P(=O)O)C",null,"Cc1cc(c(c(c1)C)P(=O)O)C","Cc1cc(c(c(c1)C)P(=O)O)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3782,2827,"1,3-Propanediol, 2-(2-propenyloxy)-","6806-76-4","C=CCOC(CO)CO",{"$nulls":3},1,0,3,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on ChemID, Checked on PubChem",""]
[3783,1981,"Guanidine, N-methyl-N,N'-dinitro-","6810-09-9","CN(C(=N)N[N+](=O)[O-])[N+](=O)[O-]","CN(C(N)=N[N+](=O)[O-])[N+](=O)[O-]",null,"CN(C(N)=N[N+](=O)[O-])[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[3785,null,"Phthalic acid, 3-nitro-, 2 ethyl ester","6828-46-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3786,null,"Phthalic acid, 3-nitro-, 2-butyl ester","6828-47-3","CCC(C)OC(=O)c1c(c(ccc1)[N+](=O)[O-])C(=O)O",null,"CCCCOC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]","CCCCOC(=O)c1c(cccc1C(=O)O)[N+](=O)[O-]",2,1,1,"NO","YES",null,null,"Eliminate","-","Missing/ambiguous"]
[3789,1286,"O-(4-HYDROXY-3-IODOPHENYL)-3,5-DIIODO-L-TYROSINE","6893-02-3","NC(Cc1cc(c(c(c1)I)Oc2cc(c(cc2)O)I)I)C(=O)O","NC(Cc1cc(c(c(c1)I)Oc2cc(c(cc2)O)I)I)C(=O)O","NC(Cc1cc(c(c(c1)I)Oc2cc(c(cc2)O)I)I)C(=O)O","NC(Cc1cc(c(c(c1)I)Oc2cc(c(cc2)O)I)I)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3790,2701,"D-Glutamic acid","6893-26-1","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","111, 1536, 1582, 2458, 3792"]
[3792,2701,"Glutamic acid","6899-05-4","NC(CCC(=O)O)C(=O)O","NC(CCC(=O)O)C(=O)O",null,"NC(CCC(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","111, 1536, 1582, 2458, 3790"]
[3793,917,"2,4'-DICHLORODIPHENYL ETHER","6903-65-7","Clc1ccc(cc1)Oc2c(cccc2)Cl","Clc1ccc(cc1)Oc2c(cccc2)Cl","Clc1ccc(cc1)Oc2c(cccc2)Cl","Clc1ccc(cc1)Oc2c(cccc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3795,null,"Benzenesulfonamide, 4-amino-N-(1,2,3,4-tetrahydr","6912-98-7",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3796,2351,"MALIC ACID","6915-15-7","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O","O=C(O)CC(O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"2455, 2595"]
[3798,3362,"BENZENE, 1,2,4,5-TETRACHLORO-3-METHOXY-","6936-40-9","COc1c(c(cc(c1Cl)Cl)Cl)Cl","COc1c(c(cc(c1Cl)Cl)Cl)Cl",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[3799,3290,"D-Galactose, (aminocarbonyl)hydrazone","6936-69-2","NC(=O)NN=CC(O)C(O)C(O)C(O)CO","NC(=O)NN=CC(O)C(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)C(O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","4350, 4742"]
[3802,80,"1,3-propanediol,monobenzoate","6946-99-2","O=C(O)c1ccccc1","O=C(OCCCO)c1ccccc1","O=C(OCCCO)c1ccccc1","O=C(OCCCO)c1ccccc1",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[3803,173,"Butanoic acid, 3-oxo-, cyclohexyl ester","6947-02-0","CC(=O)CC(=O)OC1CCCCC1","CC(=O)CC(=O)OC1CCCCC1","CC(=O)CC(=O)OC1CCCCC1",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3805,406,"DIOXACARB","6988-21-2","CNC(=O)Oc1c(cccc1)C2OCCO2","CNC(=O)Oc1c(cccc1)C2OCCO2","CNC(=O)Oc1c(cccc1)C2OCCO2","CNC(=O)Oc1c(cccc1)C2OCCO2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3806,2848,"Isoleucine","7004-09-3","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O","CCC(C)C(N)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","301, 1724, 1789, 3328"]
[3808,946,"4-CHLOROPHENYL PHENYL ETHER","7005-72-3","Clc1ccc(cc1)Oc2ccccc2","Clc1ccc(cc1)Oc2ccccc2","Clc1ccc(cc1)Oc2ccccc2","Clc1ccc(cc1)Oc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3809,2399,"Asparagine","7006-34-0","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O","NC(=O)CC(N)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","275"]
[3812,4619,"n-nitrosomethylbutylamine","7068-83-9","CCCCNCN=O","CCCCN(C)N=O","CCCCN(C)N=O","CCCCN(C)N=O",3,1,0,"NO","NO",4,0,"Maintain","High Reliability","Manual Check passed",""]
[3813,4052,"BENZENE, 1-BROMO-2-(1-METHYLETHYL)-","7073-94-1","CC(C)c1c(cccc1)Br","CC(C)c1c(cccc1)Br","CC(C)c1c(cccc1)Br","CC(C)c1c(cccc1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3815,249,"Phosphinic acid, dibutyl-, ethyl ester","7100-92-7","CCCCP(=O)(CCCC)OCC",null,null,"CCCCP(=O)(CCCC)OCC",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[3816,537,"BENZENAMINE, 4-[(4-CHLOROPHENYL)SULFONYL]-","7146-68-1","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)Cl","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)Cl","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)Cl","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3818,null,"4-picoline,2-chloro-6-methoxy-alpha,alpha,alpha","7159-34-4",null,"COc1nc(cc(c1)C(Cl)(Cl)Cl)Cl",null,"COc1nc(cc(c1)C(Cl)(Cl)Cl)Cl",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3819,632,"Acetamide, N-acetyl-N-(4-ethoxyphenyl)-","7174-45-0","CCOc1ccc(cc1)N(C(C)=O)C(C)=O",null,"CCOc1ccc(cc1)N(C(C)=O)C(C)=O","CCOc1ccc(cc1)N(C(C)=O)C(C)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3821,4216,"Phosphoric acid, dibutyl methyl ester","7242-59-3","CCCCOP(=O)(OC)OCCCC","CCCCOP(=O)(OC)OCCCC","CCCCOP(=O)(OC)OCCCC","CCCCOP(=O)(OC)OCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3822,291,"5-Quinolinecarboxylic acid","7250-53-5","O=C(O)c1c2c(ccc1)nccc2","O=C(O)c1c2c(ccc1)nccc2","O=C(O)c1c2c(ccc1)nccc2","O=C(O)c1c2c(ccc1)nccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3825,208,"PROMETRYNE","7287-19-6","CSc1nc(nc(n1)NC(C)C)NC(C)C","CSc1nc(nc(n1)NC(C)C)NC(C)C","CSc1nc(nc(n1)NC(C)C)NC(C)C","CSc1nc(nc(n1)NC(C)C)NC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3826,4519,"monalide(potablan)","7287-36-7",null,"CCCC(C)(C)C(=O)Nc1ccc(cc1)Cl",null,"CCCC(C)(C)C(=O)Nc1ccc(cc1)Cl",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3828,1065,"PROPAPHOS","7292-16-2","CCCOP(=O)(OCCC)Oc1ccc(cc1)SC","CCCOP(=O)(OCCC)Oc1ccc(cc1)SC","CCCOP(=O)(OCCC)Oc1ccc(cc1)SC","CCCOP(=O)(OCCC)Oc1ccc(cc1)SC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3829,3815,"2,2,3-TRIMETHYL-3-PENTANOL","7294-05-5","CCC(C)(O)C(C)(C)C","CCC(C)(O)C(C)(C)C","CCC(C)(O)C(C)(C)C","CCC(C)(O)C(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3831,null,"3,5-Dimethyl-4-thia-hepta-2,5-diendioic acid","7345-19-9","CC(=CC(=O)O)SC(C)=CC(=O)O",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[3832,4553,"Benzoylamino-phenyl-acetic acid","7352-07-0","O=C(NC(C(=O)O)c1ccccc1)c2ccccc2",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on PubChem, Manual Check passed",""]
[3834,4161,"4,6-BIS(ISOPROPYLAMINO)-S-TRIAZIN-2-OL","7374-53-0","CC(C)Nc1nc(nc(n1)O)NC(C)C","CC(C)Nc1[nH]c(nc(n1)=O)NC(C)C",null,"CC(C)Nc1[nH]c(nc(n1)=O)NC(C)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3835,2714,"2,5-Piperazinedione, 1,4-bis(hydroxymethyl)-","7383-56-4","O=C1N(CC(N(C1)CO)=O)CO","O=C1N(CC(N(C1)CO)=O)CO","O=C1N(CC(N(C1)CO)=O)CO","O=C1N(CC(N(C1)CO)=O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3838,3430,"4-Benzothiazolol","7405-23-4","Oc1c2c(ccc1)scn2","Oc1c2c(ccc1)scn2","Oc1c2c(ccc1)scn2","Oc1c2c(ccc1)scn2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3839,1426,"Phosphonic acid, 4-morpholinyl-, diphenyl ester","7412-25-1","O=P(Oc1ccccc1)(Oc2ccccc2)N3CCOCC3","O=P(Oc1ccccc1)(Oc2ccccc2)N3CCOCC3",null,"O=P(Oc1ccccc1)(Oc2ccccc2)N3CCOCC3",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3841,923,"ENDRIN ALDEHYDE","7421-93-4","O=CC1C2C3C(C1)C4C5(C3(C(C2(C54Cl)Cl)(Cl)Cl)Cl)Cl","O=CC1C2C3C(C1)C4C5(C3(C(C2(C54Cl)Cl)(Cl)Cl)Cl)Cl","O=CC1C2C3C(C1)C4C5(C3(C(C2(C54Cl)Cl)(Cl)Cl)Cl)Cl","O=CC1C2C3C(C1)C4C5(C3(C(C2(C54Cl)Cl)(Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3842,null,"SULFUR DIOXIDE","7446-09-5","O=S=O","O=S=O","O=S=O","O=S=O",4,0,0,"NO","NO",null,null,"Eliminate","-","Inorganic"]
[3844,41,"M-ACETYLAMINOACETOPHENONE","7463-31-2","CC(=O)Nc1cc(ccc1)C(C)=O","CC(=O)Nc1cc(ccc1)C(C)=O",null,"CC(=O)Nc1cc(ccc1)C(C)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3845,3460,"4-Benzothiazolol, 2-amino-","7471-03-6","Nc1sc2c(n1)c(O)ccc2","Nc1sc2c(n1)c(O)ccc2","Nc1sc2c(n1)c(O)ccc2","Nc1sc2c(n1)c(O)ccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3847,4569,"1,2-Anthracenedicarboxylic acid, 9,10-dihydro-9,","7475-29-8",null,"O=C(O)c1c(c2c(cc1)C(c3c(C2=O)cccc3)=O)C(=O)O",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3848,4115,"CYTIDINE, 2',3'-DIDEOXY-","7481-89-2","Nc1nc(n(cc1)C2OC(CC2)CO)=O","Nc1nc(n(cc1)C2OC(CC2)CO)=O","Nc1nc(n(cc1)C2OC(CC2)CO)=O","Nc1nc(n(cc1)C2OC(CC2)CO)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3851,623,"Acetic acid, [2-methoxy-4-(1-propenyl)phenoxy]-","7510-46-5","CC=Cc1cc(c(cc1)OCC(=O)O)OC","CC=Cc1cc(c(cc1)OCC(=O)O)OC","CC=Cc1cc(c(cc1)OCC(=O)O)OC","CC=Cc1cc(c(cc1)OCC(=O)O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","3747"]
[3852,null,"1,2-Benzenedicarboxylic acid, 1,2-ethanediyl est","7517-39-7",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3854,3393,"Benzenemethanol, 3,4,5-trichloro-","7520-67-4","OCc1cc(c(c(c1)Cl)Cl)Cl",null,"OCc1cc(c(c(c1)Cl)Cl)Cl","OCc1cc(c(c(c1)Cl)Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3855,null,"2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3,","7525-08-8",{"$nulls":3},"O=c1c2=c(cc(c1=NNc3ccccc3)S(=O)(=O)O)cc(S(=O)(=O)O)c(=NNc4ccccc4)c2=O",1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[3857,3884,"8-Quinazolinol","7557-02-0","Oc1c2c(ccc1)cncn2",null,"Oc1c2c(ccc1)cncn2","Oc1c2c(ccc1)cncn2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3858,null,"PHOSPHORIC ACID, MONOSODIUM SALT","7558-80-7",null,null,"O=P(O)(O)O","O=P(O)(O)O",2,0,2,"NO","NO",null,null,"Eliminate","-","Inorganic"]
[3860,3687,"phenylethanolamine","7568-93-6","NCC(O)c1ccccc1","NCC(O)c1ccccc1","OCCNc1ccccc1","NCC(O)c1ccccc1",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[3861,2383,"2,3-DICHLOROBUTANE","7581-97-7","CC(Cl)C(C)Cl","CC(Cl)C(C)Cl","CC(Cl)C(C)Cl","CC(Cl)C(C)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"3127"]
[3864,null,"SULFURIC ACID","7664-93-9","O=S(=O)(O)O","O=S(=O)(O)O","O=S(=O)(O)O","O=S(=O)(O)O",4,0,0,"NO","NO",null,null,"Eliminate","-","Inorganic"]
[3865,null,"1,2-Benzisothiazol-3-amine, N-phenyl-, 1,1-dioxi","7668-23-7",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3867,null,"NICOTINIC ACID, PROPYL ESTER","7681-15-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Organic counterion, Missing/ambiguous"]
[3868,3139,"RONIDAZOLE","7681-76-7","Cn1c(ncc1[N+](=O)[O-])COC(N)=O","Cn1c(ncc1[N+](=O)[O-])COC(N)=O","Cn1c(ncc1[N+](=O)[O-])COC(N)=O","Cn1c(ncc1[N+](=O)[O-])COC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3870,3746,"DL-Norleucine, N-acetyl-","7682-16-8","CCCCC(NC(C)=O)C(=O)O","CCCCC(NC(C)=O)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem","4898"]
[3871,1655,"PHTHALTHRIN","7696-12-0","CC(C)=CC1C(C1C(=O)OCN2C(C3=C(C2=O)CCCC3)=O)(C)C","CC(C)=CC1C(C1C(=O)OCN2C(C3=C(C2=O)CCCC3)=O)(C)C","CC(C)=CC1C(C1C(=O)OCN2C(C3=C(C2=O)CCCC3)=O)(C)C","CC(C)=CC1C(C1C(=O)OCN2C(C3=C(C2=O)CCCC3)=O)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3874,null,"HYDROGEN PEROXIDE","7722-84-1","OO","OO","OO","OO",4,0,0,"NO","NO",null,null,"Eliminate","-","Inorganic"]
[3875,null,"TETRASODIUM PYROPHOSPHATE","7722-88-5","O=P(O)(O)OP(=O)(O)O","O=P(O)(O)OP(=O)(O)O","O=P(O)(O)OP(=O)(O)O","O=P(O)(O)OP(=O)(O)O",4,0,0,"NO","NO",null,null,"Eliminate","-","Inorganic"]
[3877,null,"NITROGEN","7727-37-9","[NH2]","[N-]=[NH2+]","[N-]=[NH2+]","[N-]=[NH2+]",3,1,0,"NO","NO",null,null,"Eliminate","-","Inorganic"]
[3878,null,"POTASSIUM IODATE","7758-05-6","[O-][I+2]([O-])[O-]","[O-][I+2]([O-])[O-]","[O-][I+2]([O-])[O-]","[O-][I+2]([O-])[O-]",4,0,0,"NO","NO",null,null,"Eliminate","-","Inorganic"]
[3880,165,"2-METHYL-5-(1-METHYLETHENYL)CYCLOHEXANONE","7764-50-3","C=C(C)C1CC(C(CC1)C)=O","C=C(C)C1CC(C(CC1)C)=O","C=C(C)C1CC(C(CC1)C)=O","C=C(C)C1CC(C(CC1)C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"1906"]
[3881,null,"ARSENIC ACID","7778-39-4","O=[As](O)(O)O","O=[As](O)(O)O","O=[As](O)(O)O","O=[As](O)(O)O",4,0,0,"NO","NO",null,null,"Eliminate","-","Unusual elements, Inorganic"]
[3883,null,"CHLORINE","7782-50-5","Cl","ClCl","ClCl","ClCl",3,1,0,"NO","NO",null,null,"Eliminate","-","Inorganic"]
[3884,null,"HYDROGEN SULFIDE","7783-06-4","S","S","S","S",4,0,0,"NO","NO",null,null,"Eliminate","-","Inorganic"]
[3887,null,"TERPINEOL","8000-41-7","C=C(C)C1CCC(CC1)(C)O","CC=1CCC(CC1)C(C)(C)O",null,null,0,2,2,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3888,3837,"DEMETON","8000-97-3","CCOP(=O)(OCC)SCCSCC","CCOP(=O)(OCC)SCCSCC",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Organic counterion, Checked on ChemID, Checked on PubChem","1464"]
[3890,1056,"BUFENCARB","8065-36-9","CCCC(C)c1cc(ccc1)OC(=O)NC","CCCC(C)c1cc(ccc1)OC(=O)NC",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Organic counterion, Checked on ChemID, Checked on PubChem",""]
[3891,null,"Ethylcellulose","9004-57-3",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3893,238,"Ethanol, 2-(octyloxy)-","10020-43-6","CCCCCCCCOCCO","CCCCCCCCOCCO","CCCCCCCCOCCO","CCCCCCCCOCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3894,2692,"Butanenitrile, 2-hydroxy-3-methyl-, (R)-","10021-64-4","CC(C)C(O)C#N",null,"CC(C)C(O)C#N","CC(C)C(O)C#N",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[3896,4688,"1-butanol,2-ethyl-,acetate","10031-87-5","CCC(CC)CO","CCC(CC)COC(C)=O","CCC(CC)COC(C)=O","CCC(CC)COC(C)=O",3,1,0,"NO","NO",4,0,"Maintain","High Reliability","Manual Check passed",""]
[3897,1528,"1-LAURYL-4-CARBOXY-2-PYRROLIDONE","10054-21-4","CCCCCCCCCCCCN1C(CC(C1)C(=O)O)=O","CCCCCCCCCCCCN1C(CC(C1)C(=O)O)=O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[3900,452,"Benzeneethanol, 4-(1-methylethyl)-","10099-57-7","CC(C)c1ccc(cc1)CCO","CC(C)c1ccc(cc1)CCO","CC(C)c1ccc(cc1)CCO","CC(C)c1ccc(cc1)CCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3901,598,"1H-Isoindole-1,3(2H)-dione, 2-(1-methylpropyl)-","10108-61-9","CCC(C)N1C(c2c(C1=O)cccc2)=O","CCC(C)N1C(c2c(C1=O)cccc2)=O","CCC(C)N1C(c2c(C1=O)cccc2)=O","CCC(C)N1C(c2c(C1=O)cccc2)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3903,704,"Succinamic acid, N,N'-dipropyl-, ethyl ester","10143-31-4","CCCN(CCC)C(=O)CCC(=O)OCC","CCCN(CCC)C(=O)CCC(=O)OCC",null,"CCCN(CCC)C(=O)CCC(=O)OCC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3904,3143,"1,1-Cyclopropanedicarboxylic acid, 2-methyl-","10180-00-4","CC1C(C1)(C(=O)O)C(=O)O",null,"CC1C(C1)(C(=O)O)C(=O)O","CC1C(C1)(C(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3906,2047,"2,2-DIBROMO-2-CYANOACETAMIDE","10222-01-2","N#CC(Br)(Br)C(N)=O","N#CC(Br)(Br)C(N)=O","N#CC(Br)(Br)C(N)=O","N#CC(Br)(Br)C(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3907,1830,"Glyburide","10238-21-8","COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3","COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3","COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3","COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3909,4485,"propanoicacid,2-hydroxy-2-methyl-,2-phenyleth","10290-01-4",null,"CC(C)(O)C(=O)OCCc1ccccc1",null,"CC(C)(O)C(=O)OCCc1ccccc1",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3910,1175,"DIALIFOR","10311-84-9","CCOP(=S)(OCC)SC(CCl)N1C(c2c(C1=O)cccc2)=O","CCOP(=S)(OCC)SC(CCl)N1C(c2c(C1=O)cccc2)=O","CCOP(=S)(OCC)SC(CCl)N1C(c2c(C1=O)cccc2)=O","CCOP(=S)(OCC)SC(CCl)N1C(c2c(C1=O)cccc2)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3913,null,"s-Trithiane, 1,3-dioxide","10349-01-6",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3914,292,"6-Quinolinecarboxylic acid","10349-57-2","O=C(O)c1cc2c(cc1)nccc2","O=C(O)c1cc2c(cc1)nccc2","O=C(O)c1cc2c(cc1)nccc2","O=C(O)c1cc2c(cc1)nccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3916,4414,"3-Hydroxycamphor","10373-81-6","CC12C(C(C(CC1)C2(C)C)O)=O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3917,3033,"Benzenamine, 2-bromo-5-nitro-","10403-47-1","Nc1c(ccc(c1)[N+](=O)[O-])Br","Nc1c(ccc(c1)[N+](=O)[O-])Br","Nc1c(ccc(c1)[N+](=O)[O-])Br","Nc1c(ccc(c1)[N+](=O)[O-])Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3919,507,"3-Octyloxy-propane-1,2-diol","10438-94-5","CCCCCCCCOCC(O)CO","CCCCCCCCOCC(O)CO","CCCCCCCCOCC(O)CO","CCCCCCCCOCC(O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3920,1033,"MCPB-ETHYL","10443-70-6",null,"CCOC(=O)CCCOc1c(cc(cc1)Cl)C","CCOC(=O)CCCOc1c(cc(cc1)Cl)C","CCOC(=O)CCCOc1c(cc(cc1)Cl)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3922,1740,"Bromperidol","10457-90-6","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Br)c3ccc(cc3)F","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Br)c3ccc(cc3)F","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Br)c3ccc(cc3)F","O=C(CCCN1CCC(CC1)(O)c2ccc(cc2)Br)c3ccc(cc3)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3923,3363,"Phenol, 2,3,4,6-tetrachloro-5-methyl-","10460-33-0","Cc1c(c(c(c(c1Cl)O)Cl)Cl)Cl",null,"Cc1c(c(c(c(c1Cl)O)Cl)Cl)Cl","Cc1c(c(c(c(c1Cl)O)Cl)Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3926,4214,"TERBUFOS SULFOXIDE","10548-10-4","CCOP(=S)(OCC)SCS(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)C(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3927,1179,"Nitrothal-isopropyl","10552-74-6","CC(C)OC(=O)c1cc(cc(c1)C(=O)OC(C)C)[N+](=O)[O-]","CC(C)OC(=O)c1cc(cc(c1)C(=O)OC(C)C)[N+](=O)[O-]","CC(C)OC(=O)c1cc(cc(c1)C(=O)OC(C)C)[N+](=O)[O-]","CC(C)OC(=O)c1cc(cc(c1)C(=O)OC(C)C)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3929,2181,"N-METHYL-N-NITROSOETHAMINE","10595-95-6",null,"CCN(C)N=O","CCN(C)N=O","CCN(C)N=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3930,2724,"Hexanebis(thioic) acid","10604-70-3","O=C(S)CCCCC(=O)S","O=C(S)CCCCC(=O)S","O=C(S)CCCCC(=O)S","O=C(S)CCCCC(=O)S",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3932,792,"AROCLOR 1260","11096-82-5","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","4673"]
[3933,823,"AROCLOR 1254","11097-69-1","Clc1c(c(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[3935,null,"AROCLOR 1232","11141-16-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3936,2041,"Azadirachtin","11141-17-6",null,"CC=C(C)C(=O)OC1C23C4C(C(C1)OC(C)=O)(C(=O)OC)COC4C(C(C2C(OC3)(O)C(=O)OC)(C)C56C(O5)(C)C7C8(C(OC6C7)OC=C8)O)O","CC=C(C)C(=O)OC1C23C4C(C(C1)OC(C)=O)(C(=O)OC)COC4C(C(C2C(OC3)(O)C(=O)OC)(C)C56C(O5)(C)C7C8(C(OC6C7)OC=C8)O)O","CC=C(C)C(=O)OC1C23C4C(C(C1)OC(C)=O)(C(=O)OC)COC4C(C(C2C(OC3)(O)C(=O)OC)(C)C56C(O5)(C)C7C8(C(OC6C7)OC=C8)O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[3939,null,"Methylcyclopentadienyl Manganese","12108-13-3","C[Mn]C=1CC=CC1","CC1C=CC=C1",null,"CC1C=[C-]C=C1",0,3,1,"YES","NO",null,null,"Eliminate","-","Organometallic, Unusual elements, Missing/ambiguous"]
[3940,null,"DISPERSE BLUE 79","12239-34-8","CCOc1c(cc(c(c1)N=Nc2c(c(cc(c2)[N+](=O)[O-])[N+](=O)[O-])Br)NC(C)=O)N(CCOC(C)=O)CCOC(C)=O","CCOc1c(cc(c(c1)N=Nc2c(c(cc(c2)[N+](=O)[O-])[N+](=O)[O-])Br)NC(C)=O)N(CCOC(C)=O)CCOC(C)=O",null,"CCOc1c(cc(c(c1)N=Nc2c(cc(cc2Br)[N+](=O)[O-])[N+](=O)[O-])NC(C)=O)N(CCOC(C)=O)CCOC(C)=O",2,1,1,"NO","YES",null,null,"Eliminate","-","Missing/ambiguous"]
[3942,855,"AROCLOR 1248","12672-29-6","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl","Clc1cc(cc(c1)Cl)-c2cc(cc(c2)Cl)Cl",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","4561"]
[3943,864,"AROCLOR 1016","12674-11-2","Clc1cc(ccc1)-c2cc(cc(c2)Cl)Cl","Clc1cc(ccc1)-c2cc(cc(c2)Cl)Cl",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[3945,1317,"ANCYMIDOL","12771-68-5","COc1ccc(cc1)C(O)(c2cncnc2)C3CC3","COc1ccc(cc1)C(O)(c2cncnc2)C3CC3","COc1ccc(cc1)C(O)(c2cncnc2)C3CC3",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3946,4208,"O1,O3-Diisopropyl-glycerol","13021-54-0","CC(C)OCC(O)COC(C)C","CC(C)OCC(O)COC(C)C",null,"CC(C)OCC(O)COC(C)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3949,910,"2,2'-DICHLOROBIPHENYL","13029-08-8","Clc1c(cccc1)-c2c(cccc2)Cl","Clc1c(cccc1)-c2c(cccc2)Cl","Clc1c(cccc1)-c2c(cccc2)Cl","Clc1c(cccc1)-c2c(cccc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3950,1302,"CYANOFENPHOS","13067-93-1","CCOP(=S)(Oc1ccc(cc1)C#N)c2ccccc2","CCOP(=S)(Oc1ccc(cc1)C#N)c2ccccc2","CCOP(=S)(Oc1ccc(cc1)C#N)c2ccccc2","CCOP(=S)(Oc1ccc(cc1)C#N)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3952,660,"BENZOIC ACID, 4-AMINO-,PENTY ESTER","13110-37-7",null,"CCCCCOC(=O)c1ccc(cc1)N","CCCCCOC(=O)c1ccc(cc1)N","CCCCCOC(=O)c1ccc(cc1)N",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3953,4285,"Benzoic acid, 5-acetyl-2-hydroxy-","13110-96-8","CC(=O)c1cc(c(cc1)O)C(=O)O","CC(=O)c1cc(c(cc1)O)C(=O)O","CC(=O)c1cc(c(cc1)O)C(=O)O","CC(=O)c1cc(c(cc1)O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3955,null,"Periplocin","13137-64-9","COC1C(C(OC(C1O)COC2C(OC(CC2O)O)C)OC3CC4(C(CC3)(C)C5C(C6(C(CC5)(C)C(C=7COC(C7)=O)CC6)O)CC4)O)O","COC1C(C(OC(C1O)COC2C(OC(CC2O)O)C)OC3CC4(C(CC3)(C)C5C(C6(C(CC5)(C)C(C=7COC(C7)=O)CC6)O)CC4)O)O",null,null,2,0,2,"NO","NO",2,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[3956,4676,"1-Cyclohexene-1-carboxylic acid, 2-methyl-","13148-94-2","CC=1CCCCC1C(=O)O",null,"CC=1CCCCC1C(=O)O",null,2,0,2,"NO","NO",4,0,"Maintain","High Reliability","Checked on PubChem, Manual Check passed",""]
[3958,525,"3-Pyridinecarboxamide, N-2-pyridinyl-","13160-07-1","O=C(Nc1ncccc1)c2cnccc2","O=C(Nc1ncccc1)c2cnccc2","O=C(Nc1ncccc1)c2cnccc2","O=C(Nc1ncccc1)c2cnccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3959,200,"PHOSPHAMIDON","13171-21-6","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC","CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1686"]
[3962,3835,"O-ETHYL S,S-DIPROPYL PHOSPHORODITHIOATE","13194-48-4","CCCSP(=O)(OCC)SCCC","CCCSP(=O)(OCC)SCCC","CCCSP(=O)(OCC)SCCC","CCCSP(=O)(OCC)SCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3963,2601,"8H-Purin-8-one, 1,7-dihydro-","13230-97-2","O=c1[nH]c2-c(n1)nc[nH]c2","O=c1[nH]c2c([nH]1)cncn2",null,null,2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[3965,596,"Imidodicarbonimidic diamide, N-1-naphthalenyl-","13261-53-5","N=C(N)NC(=N)Nc1c2c(ccc1)cccc2",null,null,"NC(N)=NC(N)=Nc1c2c(ccc1)cccc2",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed, Checked on PubChem",""]
[3966,461,"Kitazine","13286-32-3","CCOP(=O)(OCC)SCc1ccccc1","CCOP(=O)(OCC)SCc1ccccc1",null,"CCOP(=O)(OCC)SCc1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3968,1817,"Procion blue MX-R","13324-20-4","Nc1c2c(c(cc1S(=O)(=O)O)Nc3cc(c(cc3)S(=O)(=O)O)Nc4nc(nc(n4)Cl)Cl)C(c5c(C2=O)cccc5)=O","Nc1c2c(c(cc1S(=O)(=O)O)Nc3cc(c(cc3)S(=O)(=O)O)Nc4nc(nc(n4)Cl)Cl)C(c5c(C2=O)cccc5)=O","Nc1c2c(c(cc1S(=O)(=O)O)Nc3cc(c(cc3)S(=O)(=O)O)Nc4nc(nc(n4)Cl)Cl)C(c5c(C2=O)cccc5)=O","Nc1c2c(c(cc1S(=O)(=O)O)Nc3cc(c(cc3)S(=O)(=O)O)Nc4nc(nc(n4)Cl)Cl)C(c5c(C2=O)cccc5)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3969,4390,"benzeneaceticacid,.alpha.-[(carboxymethyl)thio","13330-93-3",null,"O=C(O)CSC(C(=O)O)c1ccccc1",null,"O=C(O)CSC(C(=O)O)c1ccccc1",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3971,2908,"1-Butanamine, N-ethyl-","13360-63-9","CCCCNCC","CCCCNCC","CCCCNCC","CCCCNCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3972,3943,"2,4(1H,3H)-Pteridinedione, 1,3-dimethyl-","13401-18-8","Cn1c(n(c2c(c1=O)nccn2)C)=O","Cn1c(n(c2c(c1=O)nccn2)C)=O","Cn1c(n(c2c(c1=O)nccn2)C)=O","Cn1c(n(c2c(c1=O)nccn2)C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3975,1312,"ETOFYLLINE NICOTINATE","13425-39-3","Cn1c(n(c2c(c1=O)n(cn2)CCOC(=O)c3cnccc3)C)=O","Cn1c(n(c2c(c1=O)n(cn2)CCOC(=O)c3cnccc3)C)=O","Cn1c(n(c2c(c1=O)n(cn2)CCOC(=O)c3cnccc3)C)=O","Cn1c(n(c2c(c1=O)n(cn2)CCOC(=O)c3cnccc3)C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3976,4723,"benzoicacid,2-[[(aminocarbonyl)amino]carbonyl]","13435-16-0",null,"NC(=O)NC(=O)c1c(cccc1)C(=O)O",null,"NC(=O)NC(=O)c1c(cccc1)C(=O)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[3978,358,"L-Cysteine, N-acetyl-S-(3,4-dichlorophenyl)-","13443-69-1","CC(=O)NC(CSc1cc(c(cc1)Cl)Cl)C(=O)O","CC(=O)NC(CSc1cc(c(cc1)Cl)Cl)C(=O)O","CC(O)=NC(CSc1cc(c(cc1)Cl)Cl)C(=O)O","CC(O)=NC(CSc1cc(c(cc1)Cl)Cl)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[3979,1203,"PYRAZOPHOS","13457-18-6","CCOC(=O)c1c(nc2n(c1)nc(OP(=S)(OCC)OCC)c2)C","CCOC(=O)c1c(nc2n(c1)nc(OP(=S)(OCC)OCC)c2)C","CCOC(=O)c1c(nc2n(c1)nc(OP(=S)(OCC)OCC)c2)C","CCOC(=O)c1c(nc2n(c1)nc(OP(=S)(OCC)OCC)c2)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3981,4521,"BENZOIC ACID, 4-AMINO-, HEXYL ESTER","13476-55-6","CCCCCCOC(=O)c1ccc(cc1)N",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on PubChem, Manual Check passed",""]
[3982,null,"2-Furanmethanol, formate","13493-97-5","OCc1occc1",null,"O=COCc1occc1","O=COCc1occc1",2,1,1,"NO","YES",null,null,"Eliminate","-","Missing/ambiguous"]
[3984,204,"2-DIETHYLAMINO-4-ETHYLAMINO-6-METHOXY-S-TRIAZI*","13532-26-8","CCNc1nc(nc(n1)OC)N(CC)CC","CCNc1nc(nc(n1)OC)N(CC)CC",null,"CCNc1nc(nc(n1)OC)N(CC)CC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3985,1433,"Apazone","13539-59-8","CCCC1C(N2N(C1=O)C(N(C)C)=Nc3c2cc(cc3)C)=O","CCCC1C(N2N(C1=O)C(N(C)C)=Nc3c2cc(cc3)C)=O","CCCC1C(N2N(C1=O)C(N(C)C)=Nc3c2cc(cc3)C)=O","CCCC1C(N2N(C1=O)C(N(C)C)=Nc3c2cc(cc3)C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3988,2183,"Urea, N,N''-methylenebis-","13547-17-6","NC(=O)NCNC(N)=O","NC(=O)NCNC(N)=O","NC(=O)NCNC(N)=O","NC(=O)NCNC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3989,2257,"1-Amino-2-butanol","13552-21-1","CCC(O)CN","CCC(O)CN","CCC(O)CN","CCC(O)CN",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3991,625,"QUINALPHOS","13593-03-8","CCOP(=S)(OCC)Oc1nc2c(nc1)cccc2","CCOP(=S)(OCC)Oc1nc2c(nc1)cccc2","CCOP(=S)(OCC)Oc1nc2c(nc1)cccc2","CCOP(=S)(OCC)Oc1nc2c(nc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3992,null,"ISONICOTINIC ACID N-OXIDE","13602-12-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[3994,null,"2-PROPANOL, 1-CHLORO-, PHOSPHATE (3:1)","13674-84-5","O=P(O)(O)O","CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl","CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl","CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl",3,1,0,"NO","NO",null,null,"Eliminate","-","Inorganic"]
[3995,4131,"TRIS(1,3-DICHLOROISOPROPYL) PHOSPHATE","13674-87-8",null,"O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl","O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl","O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[3997,1416,"PHENMEDIPHAM","13684-63-4","COC(=O)Nc1cc(ccc1)OC(=O)Nc2cc(ccc2)C","COC(=O)Nc1cc(ccc1)OC(=O)Nc2cc(ccc2)C","COC(=O)Nc1cc(ccc1)OC(=O)Nc2cc(ccc2)C","COC(=O)Nc1cc(ccc1)OC(=O)Nc2cc(ccc2)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[3998,1826,"Delmadinone acetate","13698-49-2","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)Cl)=CC(=O)C=C4)C)CC2)C)C(C)=O","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)Cl)=CC(=O)C=C4)C)CC2)C)C(C)=O","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)Cl)=CC(=O)C=C4)C)CC2)C)C(C)=O","CC(=O)OC1(C2(C(CC1)C3C(C4(C(C(=C3)Cl)=CC(=O)C=C4)C)CC2)C)C(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4001,2252,"SEC-BUTYLAMINE","13952-84-6","CCC(C)N","CCC(C)N","CCC(C)N","CCC(C)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4002,null,"…-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethyli","13964-22-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4004,1296,"Metiazinic acid","13993-65-2","CN1c2c(Sc3c1cccc3)ccc(CC(=O)O)c2","CN1c2c(Sc3c1cccc3)ccc(CC(=O)O)c2","CN1c2c(Sc3c1cccc3)ccc(CC(=O)O)c2","CN1c2c(Sc3c1cccc3)ccc(CC(=O)O)c2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4005,4486,"Benzenesulfonamide, .alpha.-hydroxy-, butyl este","14007-02-4",null,"CCCCOC(=O)C(O)c1ccccc1",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4007,null,"3-furancarboxylicacid,2-methyl-5-(1,2,3,4-tetr","14048-58-9",null,"Cc1c(cc(o1)C(O)C(O)C(O)CO)C(=O)O",null,"Cc1c(cc(o1)C(O)C(O)C(O)CO)C(=O)O",2,0,2,"NO","NO",2,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[4008,187,"(-)-Menthone","14073-97-3","CC1CC(C(CC1)C(C)C)=O","CC1CC(C(CC1)C(C)C)=O","CC1CC(C(CC1)C(C)C)=O","CC1CC(C(CC1)C(C)C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","641"]
[4011,4183,"Propanoic acid, 3-ethoxy-, butyl ester","14144-35-5","CCCCOC(=O)CCOCC","CCCCOC(=O)CCOCC","CCCCOC(=O)CCOCC","CCCCOC(=O)CCOCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4012,229,"Propionic acid, 3-ethoxy-, pentyl ester","14144-36-6","CCCCCOC(=O)CCOCC","CCCCCOC(=O)CCOCC",null,"CCCCCOC(=O)CCOCC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4014,3277,"Propionic acid, 3-propoxy-, methyl ester","14144-39-9","CCCOCCC(=O)OC",null,"CCCOCCC(=O)OC","CCCOCCC(=O)OC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4015,4184,"Propanoic acid, 3-propoxy-, propyl ester","14144-41-3","CCCOCCC(=O)OCCC","CCCOCCC(=O)OCCC","CCCOCCC(=O)OCCC","CCCOCCC(=O)OCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4017,2965,"Pteridine, 2-chloro-","14159-38-7","Clc1nc2c(cn1)nccn2",null,"Clc1nc2c(cn1)nccn2","Clc1nc2c(cn1)nccn2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4018,1706,"[3,3]DB18C6-DIBENZO CROWN ETHER","14187-32-7",null,"c1cc2c(cc1)OCCOCCOc3c(OCCOCCO2)cccc3","c1cc2c(cc1)OCCOCCOc3c(OCCOCCO2)cccc3","c1cc2c(cc1)OCCOCCOc3c(OCCOCCO2)cccc3",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4020,1423,"DIFENOXURON","14214-32-5","COc1ccc(cc1)Oc2ccc(cc2)NC(=O)N(C)C","COc1ccc(cc1)Oc2ccc(cc2)NC(=O)N(C)C","COc1ccc(cc1)Oc2ccc(cc2)NC(=O)N(C)C","COc1ccc(cc1)Oc2ccc(cc2)NC(=O)N(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4021,463,"FENSULFOTHION SULFONE","14255-72-2","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)(=O)=O","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)(=O)=O","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)(=O)=O","CCOP(=S)(OCC)Oc1ccc(cc1)S(C)(=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4024,3248,"Glycine, N-DL-valyl-","14297-28-0","CC(C)C(N)C(=O)NCC(=O)O",null,"CC(C)C(N)C(O)=NCC(=O)O","CC(C)C(N)C(O)=NCC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[4025,null,"Hexanamide, N-(aminocarbonyl)-2-bromo-","14299-56-0","CCCCC(Br)C(=O)NC(N)=O",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4027,1209,"BENZOIC ACID, 4-AMINO-, HEPTYL ESTER","14309-40-1","CCCCCCCOC(=O)c1ccc(cc1)N","CCCCCCCOC(=O)c1ccc(cc1)N","CCCCCCCOC(=O)c1ccc(cc1)N","CCCCCCCOC(=O)c1ccc(cc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4028,1365,"BENZOIC ACID, 4-AMINO-, OCTYL ESTER","14309-41-2","CCCCCCCCOC(=O)c1ccc(cc1)N","CCCCCCCCOC(=O)c1ccc(cc1)N","CCCCCCCCOC(=O)c1ccc(cc1)N","CCCCCCCCOC(=O)c1ccc(cc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4030,null,"Oxalic acid-2-ethylester-1-chloride-1-oxime","14337-43-0",null,"CCOC(=O)C(Cl)=NO",null,null,1,0,3,"NO","NO",1,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[4031,null,"Butanoic acid, 4,4'-diselenobis-","14362-48-2","O=C(O)CCC[Se][Se]CCCC(=O)O",null,"O=C(O)CCC[Se][Se]CCCC(=O)O","O=C(O)CCC[Se][Se]CCCC(=O)O",3,0,1,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[4033,25,"ETHYL 4-CHLOROPHENOXYACETATE","14426-42-7","CCOC(=O)COc1ccc(cc1)Cl","CCOC(=O)COc1ccc(cc1)Cl",null,"CCOC(=O)COc1ccc(cc1)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4034,5,"CHLORFENPROP METHYL","14437-17-3","COC(=O)C(Cl)Cc1ccc(cc1)Cl","COC(=O)C(Cl)Cc1ccc(cc1)Cl",null,"COC(=O)C(Cl)Cc1ccc(cc1)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4037,349,"3-(2-Methylphenoxy)pyridazine","14491-59-9","Cc1c(cccc1)Oc2nnccc2","Cc1c(cccc1)Oc2nnccc2","Cc1c(cccc1)Oc2nnccc2","Cc1c(cccc1)Oc2nnccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4038,4307,"1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-","14500-23-3","Cn1c(n([nH]c1=O)-c2ccccc2)=O","Cn1c(n([nH]c1=O)-c2ccccc2)=O","Cn1c(n([nH]c1=O)-c2ccccc2)=O","Cn1c(n([nH]c1=O)-c2ccccc2)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4040,3241,"2-HEPTENE (TRANS)","14686-13-6","CC=CCCCC","CC=CCCCC","CC=CCCCC","CC=CCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","2315, 2316"]
[4041,993,"OXOLINIC ACID","14698-29-4","CCn1c2c(c(c(c1)C(=O)O)=O)cc3OCOc3c2","CCn1c2c(c(c(c1)C(=O)O)=O)cc3OCOc3c2","CCn1c2c(c(c(c1)C(=O)O)=O)cc3OCOc3c2","CCn1c2c(c(c(c1)C(=O)O)=O)cc3OCOc3c2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4043,3199,"2,5-Piperazinedione, 3-(1-methylethyl)-","14771-77-8","CC(C)C1C(NCC(N1)=O)=O","CC(C)C1C(NCC(N1)=O)=O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[4044,626,"PHOXIM","14816-18-3","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1","CCOP(=S)(OCC)ON=C(C#N)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4046,null,"1-Butanone, 4-(4-hydroxy-4-phenyl-1-piperidinyl)","14862-80-7",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4047,1062,"beta-Ionone","14901-07-6","CC(=O)C=CC=1C(CCCC1C)(C)C","CC(=O)C=CC=1C(CCCC1C)(C)C","CC(=O)C=CC=1C(CCCC1C)(C)C","CC(=O)C=CC=1C(CCCC1C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1474"]
[4050,null,"1,6-DIOXASPIRO[4,4]NONANE, 2,2,7,7-TETRAMETHYL-","15031-07-9","CC1(OC2(CC1)OC(CC2)(C)C)C",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[4051,551,"Phenol, 2,2'-sulfonylbis-","15038-67-2","O=S(=O)(c1c(cccc1)O)c2c(cccc2)O","O=S(=O)(c1c(cccc1)O)c2c(cccc2)O","O=S(=O)(c1c(cccc1)O)c2c(cccc2)O","O=S(=O)(c1c(cccc1)O)c2c(cccc2)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4053,2055,"1,1,2,3,3-PENTACHLOROPROPANE","15104-61-7","ClC(Cl)C(Cl)C(Cl)Cl","ClC(Cl)C(Cl)C(Cl)Cl","ClC(Cl)C(Cl)C(Cl)Cl","ClC(Cl)C(Cl)C(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4054,4297,"L-Tyrosine, 3,5-dichloro-","15106-62-4","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O","NC(Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4056,3914,"Benzoic acid, 4-hydroxy-3-iodo-, methyl ester","15126-06-4","COC(=O)c1cc(c(cc1)O)I",null,"COC(=O)c1cc(c(cc1)O)I","COC(=O)c1cc(c(cc1)O)I",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4057,4305,"Benzoic acid, 4-hydroxy-3-iodo-, ethyl ester","15126-07-5","CCOC(=O)c1cc(c(cc1)O)I",null,"CCOC(=O)c1cc(c(cc1)O)I","CCOC(=O)c1cc(c(cc1)O)I",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4059,393,"Benzoic acid, 4-hydroxy-3-iodo-, butyl ester","15126-09-7","CCCCOC(=O)c1cc(c(cc1)O)I",null,"CCCCOC(=O)c1cc(c(cc1)O)I","CCCCOC(=O)c1cc(c(cc1)O)I",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4060,4267,"Propanoic acid, 2-(2,4-dichlorophenoxy)-, (R)-","15165-67-0","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O","CC(Oc1c(cc(cc1)Cl)Cl)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1356"]
[4063,1507,"N,N-DIETHYL-2-(1-NAPHTHALENYLOXY)PROPANAMIDE","15299-99-7","CCN(CC)C(=O)C(C)Oc1c2c(ccc1)cccc2","CCN(CC)C(=O)C(C)Oc1c2c(ccc1)cccc2","CCN(CC)C(=O)C(C)Oc1c2c(ccc1)cccc2","CCN(CC)C(=O)C(C)Oc1c2c(ccc1)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4064,1841,"Flavoxate","15301-69-6","Cc1c(c2c(oc1-c3ccccc3)c(C(=O)OCCN4CCCCC4)ccc2)=O","Cc1c(c2c(oc1-c3ccccc3)c(C(=O)OCCN4CCCCC4)ccc2)=O","Cc1c(c2c(oc1-c3ccccc3)c(C(=O)OCCN4CCCCC4)ccc2)=O","Cc1c(c2c(oc1-c3ccccc3)c(C(=O)OCCN4CCCCC4)ccc2)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4066,4502,"benzamide,2-iodo-n-phenyl","15310-01-7",null,"O=C(Nc1ccccc1)c2c(cccc2)I",null,"O=C(Nc1ccccc1)c2c(cccc2)I",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4067,null,"Propanamide, N-(chloroacetyl)-","15322-68-6","CCC(=O)NC(=O)CCl",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4069,null,"D-glycero-D-ido-heptonic acid, .gamma.-lactone","15397-07-6",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4070,null,"3,5-pyridinedicarboxylicacid,2,6-dimethyl-,di","15420-54-9",null,"Cc1c(cc(c(n1)C)C(=O)NN)C(=O)NN",null,"Cc1c(cc(c(n1)C)C(=O)NN)C(=O)NN",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4073,87,"CHLORTOLURON","15545-48-9","Cc1c(cc(cc1)NC(=O)N(C)C)Cl","Cc1c(cc(cc1)NC(=O)N(C)C)Cl","Cc1c(cc(cc1)NC(=O)N(C)C)Cl","Cc1c(cc(cc1)NC(=O)N(C)C)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4074,2182,"Noxythiolin","15599-39-0","CNS#CNCO","CNS#CNCO",null,"CNS#CNCO",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4076,null,"CIS-PLATIN","15663-27-1","[Pt+2]",null,"N[Pt](N)(Cl)Cl","N[Pt](N)(Cl)Cl",2,1,1,"NO","YES",null,null,"Eliminate","-","Unusual elements, Inorganic, Missing/ambiguous"]
[4077,1046,"IBUPROFEN","15687-27-1","CC(C)Cc1ccc(cc1)C(C)C(=O)O","CC(C)Cc1ccc(cc1)C(C)C(=O)O","CC(C)Cc1ccc(cc1)C(C)C(=O)O","CC(C)Cc1ccc(cc1)C(C)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4079,868,"2,4,5-TRICHLOROBIPHENYL","15862-07-4","Clc1c(cc(c(c1)Cl)-c2ccccc2)Cl","Clc1c(cc(c(c1)Cl)-c2ccccc2)Cl","Clc1c(cc(c(c1)Cl)-c2ccccc2)Cl","Clc1c(cc(c(c1)Cl)-c2ccccc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4080,235,"4,4-Dimethyloctane","15869-95-1","CCCCC(C)(C)CCC","CCCCC(C)(C)CCC","CCCCC(C)(C)CCC","CCCCC(C)(C)CCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4082,2225,"2-Butanol, (.+-.)-","15892-23-6",null,"CCC(C)O","CCC(C)O","CCC(C)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"455"]
[4083,null,"Galactaric acid, diethyl ester","15909-67-8","CCOC(=O)C(O)C(O)C(O)C(O)C(=O)OCC",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[4086,null,"2,5-Piperazinedione, 3,6-bis(hydroxymethyl)-, ci","15996-17-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4087,2350,"Acetic acid, 2,2'-tetrathiobis-","16002-32-7","O=C(O)CSSSSCC(=O)O","O=C(O)CSSSSCC(=O)O",null,"O=C(O)CSSSSCC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4089,3346,"pentachlorobenzylalcohol","16022-69-8","OC(Cl)(Cl)c1c(c(c(cc1)Cl)Cl)Cl","OCc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",null,"OCc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl",2,1,1,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[4090,589,"Iocetamic acid","16034-77-8","CC(=O)N(CC(C)C(=O)O)c1c(c(c(cc1I)I)N)I","CC(=O)N(CC(C)C(=O)O)c1c(c(c(cc1I)I)N)I","CC(=O)N(CC(C)C(=O)O)c1c(c(c(cc1I)I)N)I","CC(=O)N(CC(C)C(=O)O)c1c(c(c(cc1I)I)N)I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4092,2304,"CHLOROSUCCINIC ACID","16045-92-4","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O","O=C(O)CC(Cl)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"3451, 3470"]
[4093,645,"Carbetamide","16118-49-3","CCNC(=O)C(C)OC(=O)Nc1ccccc1","CCNC(=O)C(C)OC(=O)Nc1ccccc1","CCNC(=O)C(C)OC(=O)Nc1ccccc1","CCNC(=O)C(C)OC(=O)Nc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4095,999,"2-Naphthol, 3-(2-imidazolin-2-yl)-","16173-26-5","Oc1c(cc2c(c1)cccc2)C=3NCCN3",null,"Oc1c(cc2c(c1)cccc2)C=3NCCN3","Oc1c(cc2c(c1)cccc2)C=3NCCN3",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4096,3514,"Phenol, 2-iodo-4-methyl-","16188-57-1","Cc1cc(c(cc1)O)I",null,"Cc1cc(c(cc1)O)I","Cc1cc(c(cc1)O)I",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4099,null,"3-Pyridinecarbonitrile, 1,2,5,6-tetrahydro-4,6,6","16268-25-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4100,4298,"Benzoic acid, 3-chloro-4-hydroxy-, ethyl ester","16357-41-8","CCOC(=O)c1cc(c(cc1)O)Cl",null,"CCOC(=O)c1cc(c(cc1)O)Cl","CCOC(=O)c1cc(c(cc1)O)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4102,2475,"Butanamide, N-methyl-N-nitroso-","16395-81-6","CCCC(=O)N(C)N=O","CCCC(=O)N(C)N=O",null,"CCCC(=O)N(C)N=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4103,26,"Mecoprop-P","16484-77-8","Cc1c(ccc(c1)Cl)OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O","Cc1c(ccc(c1)Cl)OC(C)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","707, 3814"]
[4105,2668,"CYCLOPROPYL VINYL ETHER","16545-67-8","C=COC1CC1","C=COC1CC1","C=COC1CC1","C=COC1CC1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4106,912,"2,3-DICHLOROBIPHENYL","16605-91-7","Clc1c(c(ccc1)-c2ccccc2)Cl","Clc1c(c(ccc1)-c2ccccc2)Cl","Clc1c(c(ccc1)-c2ccccc2)Cl","Clc1c(c(ccc1)-c2ccccc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"4402"]
[4108,4678,"Succinic acid, 2-allyl-3-methyl-, erythro-","16631-06-4",null,null,"C=CCC(C(=O)O)C(C)C(=O)O","C=CCC(C(=O)O)C(C)C(=O)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4109,1991,"ETHEPHON","16672-87-0","O=P(O)(O)CCCl","O=P(O)(O)CCCl","O=P(O)(O)CCCl","O=P(O)(O)CCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"3937"]
[4112,null,"6,7-Secomorphinan-6-oic acid, 8,14-didehydro-4,5","16718-61-9",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4113,2310,"2-Thiazolecarboxylic acid, hydrazide","16733-90-7","NNC(=O)c1sccn1",null,"NNC(=O)c1sccn1","NNC(=O)c1sccn1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4115,3907,"3,4,5-Trichloroveratrole","16766-29-3","COc1c(c(c(c(c1)Cl)Cl)Cl)OC","COc1c(c(c(c(c1)Cl)Cl)Cl)OC","COc1c(c(c(c(c1)Cl)Cl)Cl)OC","COc1c(c(c(c(c1)Cl)Cl)Cl)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4116,3513,"4-chloroguaiacol","16766-30-6","COc1c(cc(cc1)Cl)O","COc1c(ccc(c1)Cl)O",null,"COc1c(ccc(c1)Cl)O",2,1,1,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[4118,null,"Sulfanilamide, N1-(4-amino-2-pyrimidinyl)-","16806-00-1","Nc1ccc(cc1)S(=O)(=O)Nc2nc(ccn2)N",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[4119,4698,"benzenesulfonamide,4-amino-n-1,3,4-thiadiazol-2","16806-29-4",null,"Nc1ccc(cc1)S(=O)(=O)Nc2scnn2",null,"Nc1ccc(cc1)S(=O)(=O)Nc2scnn2",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4121,621,"Succinic acid, 2-ethyl-3-phenyl-","16827-45-5","CCC(C(=O)O)C(C(=O)O)c1ccccc1",null,"CCC(C(=O)O)C(C(=O)O)c1ccccc1","CCC(C(=O)O)C(C(=O)O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4122,null,"Benzenesulfonamide, 4-amino-N-(5-amino-2-pyridin","16840-28-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4125,3471,"Pteridine, 2-(methylthio)-","16878-77-6","CSc1nc2c(cn1)nccn2",null,"CSc1nc2c(cn1)nccn2","CSc1nc2c(cn1)nccn2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4126,3581,"Barbituric acid, 5-bromo-5-isopropyl-","16952-71-9","CC(C)C1(C(NC(NC1=O)=O)=O)Br","CC(C)C1(C(NC(NC1=O)=O)=O)Br",null,"CC(C)C1(C(NC(NC1=O)=O)=O)Br",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4128,679,"barbituricacid,5,5-dibutyl-","17013-41-1",null,"CCCCC1(C(NC(NC1=O)=O)=O)CCCC",null,"CCCCC1(C(NC(NC1=O)=O)=O)CCCC",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[4129,null,"2,4,6(1h,3h,5h)-pyrimidinetrione,5-(3-methylbut","17013-42-2",null,"CCCC1(C(NC(NC1=O)=O)=O)CCC(C)C",null,"CCCC1(C(NC(NC1=O)=O)=O)CCC(C)C",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4131,4270,"8-Cinnolinol, 4-methyl-","17056-96-1","Cc1c2c(nnc1)c(O)ccc2",null,"Cc1c2c(nnc1)c(O)ccc2","Cc1c2c(nnc1)c(O)ccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4132,3885,"5-Quinoxalinol","17056-99-4","Oc1c2c(ccc1)nccn2",null,null,"O=c1c2-c(ccc1)[nH]ccn2",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[4134,null,"Hydrazinecarbothioamide, 2-(4-nitrophenyl)-N-2-p","17073-27-7",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4135,null,"Benzenesulfonamide, 4-amino-N-(6-bromo-3-pyridin","17103-43-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4138,null,"Benzenesulfonamide, 4-amino-N-5-pyrimidinyl-","17103-48-9","Nc1ccc(cc1)S(=O)(=O)Nc2cncnc2",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4139,null,"Benzenesulfonamide, 4-amino-N-(2-chloro-5-pyrimi","17103-49-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4141,null,"Benzenesulfonamide, 4-amino-N-(3-methyl-5-isoxaz","17103-52-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4142,null,"Benzenesulfonamide, 4-amino-N-(methylfurazanyl)-","17103-53-6","Cc1c(non1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[4144,526,"4-Isoxazolecarboxylic acid, 3-methyl-5-phenyl-","17153-21-8","Cc1c(c(on1)-c2ccccc2)C(=O)O",null,"Cc1c(c(on1)-c2ccccc2)C(=O)O","Cc1c(c(on1)-c2ccccc2)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4145,3204,"Glycine, N-[N-(N-carbamoylglycyl)glycyl]-","17186-15-1","NC(=O)NCC(=O)NCC(=O)NCC(=O)O",null,"N=C(O)NCC(O)=NCC(O)=NCC(=O)O","N=C(O)NCC(O)=NCC(O)=NCC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4148,null,"1H-Imidazole-4-carboxylic acid, 2,3-dihydro-1,3-","17245-63-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4149,2688,"Glycine, N-[N-(aminocarbonyl)glycyl]-","17303-54-7","NC(=O)NCC(=O)NCC(=O)O",null,null,"NC(=O)NCC(=O)NCC(=O)O",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[4151,3324,"ISOPROPYL T-BUTYL ETHER","17348-59-3","CC(C)OC(C)(C)C","CC(C)OC(C)(C)C","CC(C)OC(C)(C)C","CC(C)OC(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4152,4311,"3,5-dinitro-L-tyrosine","17360-11-1","NC(Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O","NC(Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O","NC(Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O","NC(Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4154,2321,"Acetamide, N-acetyl-2-chloro-","17368-73-9","CC(=O)NC(=O)CCl","CC(=O)NC(=O)CCl","CC(=O)NC(=O)CCl","CC(=O)NC(=O)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4155,null,"Acetone, 4-(p-nitrophenyl)semicarbazone","17433-87-3","CC(C)=NNC(=O)Nc1ccc(cc1)[N+](=O)[O-]",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4157,14,"1(3H)-Isobenzofuranone, 3-ethyl-","17475-41-1","CCC1c2c(C(O1)=O)cccc2",null,"CCC1c2c(C(O1)=O)cccc2","CCC1c2c(C(O1)=O)cccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4158,1414,"Metolazone","17560-51-9","Cc1c(cccc1)N2C(Nc3c(C2=O)cc(S(N)(=O)=O)c(Cl)c3)C","Cc1c(cccc1)N2C(Nc3c(C2=O)cc(S(N)(=O)=O)c(Cl)c3)C","Cc1c(cccc1)N2C(Nc3c(C2=O)cc(S(N)(=O)=O)c(Cl)c3)C","Cc1c(cccc1)N2C(Nc3c(C2=O)cc(S(N)(=O)=O)c(Cl)c3)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4161,1510,"BENSULTAP","17606-31-4","CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c2ccccc2","CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c2ccccc2","CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c2ccccc2","CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4162,3124,"Butanedinitrile, ethyl-","17611-82-4","CCC(C#N)CC#N","CCC(C#N)CC#N","CCC(C#N)CC#N","CCC(C#N)CC#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4164,1888,"Amicetin","17650-86-1","CC1C(CCC(O1)n2c(nc(cc2)NC(=O)c3ccc(cc3)NC(=O)C(C)(N)CO)=O)OC4C(C(C(C(O4)C)N(C)C)O)O","CC1C(CCC(O1)n2c(nc(cc2)NC(=O)c3ccc(cc3)NC(=O)C(C)(N)CO)=O)OC4C(C(C(C(O4)C)N(C)C)O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[4165,4391,"1,2-Benzenedicarboxylic acid, mono(2-hydroxyethy","17689-42-8",null,"O=C(O)c1c(cccc1)C(=O)OCCO",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4167,2932,"2,3,4-TRICHLORONITROBENZENE","17700-09-3","O=[N+]([O-])c1c(c(c(cc1)Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(cc1)Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(cc1)Cl)Cl)Cl","O=[N+]([O-])c1c(c(c(cc1)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4168,4247,"Acetamide, N-(3-chlorophenyl)-2-cyano-","17722-12-2","N#CCC(=O)Nc1cc(ccc1)Cl","N#CCC(=O)Nc1cc(ccc1)Cl","N#CCC(=O)Nc1cc(ccc1)Cl","N#CCC(=O)Nc1cc(ccc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4170,null,"Oxanilic acid, 2',4'-dichloro-","17772-30-4",null,null,"O=C(O)C(=O)Nc1c(cc(cc1)Cl)Cl","O=C(O)C(=O)Nc1c(cc(cc1)Cl)Cl",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4171,616,"Sulfacytine","17784-12-2","CCn1c(nc(cc1)NS(=O)(=O)c2ccc(cc2)N)=O","CCn1c(nc(cc1)NS(=O)(=O)c2ccc(cc2)N)=O","CCn1c(nc(cc1)NS(=O)(=O)c2ccc(cc2)N)=O","CCn1c(nc(cc1)NS(=O)(=O)c2ccc(cc2)N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4174,3234,"D-Valine, N-acetyl-","17916-88-0","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C","CC(=O)NC(C(=O)O)C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","784, 3322"]
[4175,3052,"Phenol, 4-amino-2,6-dinitro-","17973-92-1","Nc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]","Nc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]","Nc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]","Nc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4177,3164,"1-Pentene, 5-isothiocyanato-","18060-79-2","C=CCCCN=C=S","C=CCCCN=C=S","C=CCCCN=C=S","C=CCCCN=C=S",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4178,957,"[1,1'-Biphenyl]-3-ol, 4-nitro-","18062-89-0","O=[N+]([O-])c1c(cc(cc1)-c2ccccc2)O","O=[N+]([O-])c1c(cc(cc1)-c2ccccc2)O","O=[N+]([O-])c1c(cc(cc1)-c2ccccc2)O","O=[N+]([O-])c1c(cc(cc1)-c2ccccc2)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4180,null,"Ethanamine, 2-(trimethylsilyl)-","18135-04-1","C[Si](C)(C)CCN",{"$nulls":3},1,0,3,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[4181,99,"Benzoic acid, 4-amino-, 1-methylethyl ester","18144-43-9","CC(C)OC(=O)c1ccc(cc1)N","CC(C)OC(=O)c1ccc(cc1)N","CC(C)OC(=O)c1ccc(cc1)N","CC(C)OC(=O)c1ccc(cc1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4183,null,"Methanamine, 1-(trimethylsilyl)-","18166-02-4","C[Si](C)(C)CN","C[Si](C)(C)CN","C[Si](C)(C)CN","C[Si](C)(C)CN",4,0,0,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[4184,3928,"IODOFENPHOS","18181-70-9","COP(=S)(OC)Oc1c(cc(c(c1)Cl)I)Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)I)Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)I)Cl","COP(=S)(OC)Oc1c(cc(c(c1)Cl)I)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4187,828,"2,3,4,5,6-PCB","18259-05-7",null,"Clc1c(c(c(c(c1Cl)Cl)-c2ccccc2)Cl)Cl","Clc1c(c(c(c(c1Cl)Cl)-c2ccccc2)Cl)Cl","Clc1c(c(c(c(c1Cl)Cl)-c2ccccc2)Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4188,4368,"Hydrazinecarboximidamide, N-nitro-","18264-75-0","N=C(NN)N[N+](=O)[O-]",null,"N=C(NN)N[N+](=O)[O-]","N=C(NN)N[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4190,3516,"Benzenemethanol, 4-iodo-","18282-51-4","OCc1ccc(cc1)I","OCc1ccc(cc1)I","OCc1ccc(cc1)I","OCc1ccc(cc1)I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4191,3201,"1,2-Cyclohexanedione, 3-methyl-, dioxime","18310-18-4","CC1C(C(CCC1)=NO)=NO",null,"CC1C(C(CCC1)=NO)=NO","CC1C(C(CCC1)=NO)=NO",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4193,4146,"1,2-Cyclohexanedione, 4-isopropyl-, dioxime","18310-20-8","CC(C)C1CC(C(CC1)=NO)=NO",null,"CC(C)C1CC(C(CC1)=NO)=NO","CC(C)C1CC(C(CC1)=NO)=NO",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4194,2397,"L-Alanine, N-(aminocarbonyl)-","18409-49-9","CC(NC(N)=O)C(=O)O","CC(NC(N)=O)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed, Checked on PubChem","2247"]
[4196,null,"4,5-Isoxazoledione, 3-methyl-, 4-oxime","18438-56-7","CC=1C(C(ON1)=O)=NO",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4197,183,"1,2-Cyclodecanedione, dioxime","18486-81-2","ON=C1C(CCCCCCCC1)=NO",null,"ON=C1C(CCCCCCCC1)=NO","ON=C1C(CCCCCCCC1)=NO",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4200,2246,"Ethanesulfinothioic acid, S-ethyl ester","18542-39-7","CCSS(=O)CC","CCSS(=O)CC","CCSS(=O)CC","CCSS(=O)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4201,1064,"Albuterol","18559-94-9","CC(C)(C)NCC(O)c1cc(c(cc1)O)CO","CC(C)(C)NCC(O)c1cc(c(cc1)O)CO","CC(C)(C)NCC(O)c1cc(c(cc1)O)CO","CC(C)(C)NCC(O)c1cc(c(cc1)O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4203,171,"2-Oxabicyclo[2.2.2]octan-6-one, 1,3,3-trimethyl-","18679-55-5","CC12C(CC(CC1)C(C)(C)O2)=O",null,"CC12C(CC(CC1)C(C)(C)O2)=O","CC12C(CC(CC1)C(C)(C)O2)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4204,35,"Methabenzthiazuron","18691-97-9","CNC(=O)N(C)c1sc2c(n1)cccc2","CNC(=O)N(C)c1sc2c(n1)cccc2","CNC(=O)N(C)c1sc2c(n1)cccc2",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4206,3806,"3-Heptanol, 2-methyl-","18720-62-2","CCCCC(O)C(C)C","CCCCC(O)C(C)C",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[4207,3813,"3-HEPTANOL, 5-METHYL-","18720-65-5","CCC(C)CC(O)CC","CCC(C)CC(O)CC",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[4210,null,"Glycine, N-(1-methyl-3-oxo-1-butenyl)-, ethyl es","18807-87-9",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4211,1030,"ISOXATHION","18854-01-8","CCOP(=S)(OCC)Oc1noc(c1)-c2ccccc2","CCOP(=S)(OCC)Oc1noc(c1)-c2ccccc2","CCOP(=S)(OCC)Oc1noc(c1)-c2ccccc2","CCOP(=S)(OCC)Oc1noc(c1)-c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4213,408,"Butanoic acid, 3-methyl-, 4-nitrophenyl ester","18934-77-5","CC(C)CC(=O)Oc1ccc(cc1)[N+](=O)[O-]",null,"CC(C)CC(=O)Oc1ccc(cc1)[N+](=O)[O-]","CC(C)CC(=O)Oc1ccc(cc1)[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4214,3496,"Benzenemethanol, 2-bromo-","18982-54-2","OCc1c(cccc1)Br","OCc1c(cccc1)Br","OCc1c(cccc1)Br","OCc1c(cccc1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4216,4505,"acetamide,n-4-(2-pyridinylamino)sulfonylphen","19077-98-6",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2",null,"CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccc2",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4217,128,"2,4-Pteridinediamine, 6,7-diethyl-","19152-77-3","CCc1c(nc2c(n1)nc(N)nc2N)CC",null,"CCc1c(nc2c(n1)nc(=N)[nH]c2N)CC","CCc1c(nc2c(n1)nc(=N)[nH]c2N)CC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4219,4429,"Benzenesulfonamide, 4-amino-N-2-pyridinyl-, N-ox","19250-24-9",null,"Nc1ccc(cc1)S(=O)(=O)N=c2n(cccc2)O",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4220,2694,"Propanamide, N-acetyl-","19264-34-7","CCC(=O)NC(C)=O",null,"CCC(=O)NC(C)=O","CCC(=O)NC(C)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4223,null,"1-Octanesulfonamide, N-(octylsulfonyl)-","19288-70-1","CCCCCCCCS(=O)(=O)NS(=O)(=O)CCCCCCCC",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4224,1517,"Polyoxin B","19396-06-6","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1C(C(C(O1)n2c([nH]c(c(c2)CO)=O)=O)O)O","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1C(C(C(O1)n2c([nH]c(c(c2)CO)=O)=O)O)O","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1C(C(C(O1)n2c([nH]c(c(c2)CO)=O)=O)O)O","NC(=O)OCC(O)C(O)C(N)C(=O)NC(C(=O)O)C1C(C(C(O1)n2c([nH]c(c(c2)CO)=O)=O)O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4226,2086,"Propanamide, 2,3-dichloro-","19433-84-2","NC(=O)C(Cl)CCl","NC(=O)C(Cl)CCl",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[4227,3908,"5-Chlorovanillin","19463-48-0","COc1c(c(cc(c1)C=O)Cl)O","COc1c(c(cc(c1)C=O)Cl)O","COc1c(c(cc(c1)C=O)Cl)O","COc1c(c(cc(c1)C=O)Cl)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4229,4203,"3,5-DIMETHYL-4-HEPTANOL","19549-79-2","CCC(C)C(O)C(C)CC","CCC(C)C(O)C(C)CC",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[4230,2886,"1-BUTANOL, 2,3-DIMETHYL-","19550-30-2","CC(C)C(C)CO","CC(C)C(C)CO",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[4232,null,"carbamicacid,(3-dimethylaminopropyl)thio-,s-e","19622-19-6",null,"CCSC(=O)NCCCN(C)C",null,"CCSC(=O)NCCCN(C)C",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4233,3862,"1(3H)-Isobenzofuranone, 6-chloro-","19641-29-3","O=C1c2c(CO1)ccc(Cl)c2",null,"O=C1c2c(CO1)ccc(Cl)c2","O=C1c2c(CO1)ccc(Cl)c2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4236,454,"1,2-Butanediol, 2-methyl-1-phenyl-","19757-53-0","CCC(C)(O)C(O)c1ccccc1",null,"CCC(C)(O)C(O)c1ccccc1","CCC(C)(O)C(O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4237,3749,"D-Leucine, N-acetyl-","19764-30-8","CC(=O)NC(CC(C)C)C(=O)O",null,"CC(=O)NC(CC(C)C)C(=O)O","CC(=O)NC(CC(C)C)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","2864"]
[4239,2462,"DL-Serine, O-methyl-","19794-53-7","COCC(N)C(=O)O","COCC(N)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[4240,2272,"4(1H)-Pyrimidinone, 5-bromo-","19808-30-1","O=c1c(c[nH]cn1)Br","O=c1c(cnc[nH]1)Br","Oc1c(cncn1)Br","Oc1c(cncn1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4242,null,"Propanoic acid, 3-hydroxy-2-methyl-, 2,3,3a,4,5,","19889-01-1",null,"C=C1C2C(OC1=O)C=C(CO)CCC=C(C)CC2OC(=O)C(C)CO",null,null,1,0,3,"NO","NO",2,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[4243,88,"METOXURON","19937-59-8","COc1c(cc(cc1)NC(=O)N(C)C)Cl","COc1c(cc(cc1)NC(=O)N(C)C)Cl","COc1c(cc(cc1)NC(=O)N(C)C)Cl","COc1c(cc(cc1)NC(=O)N(C)C)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4245,258,"1,2,3,4-TETRACHLORONAPHTHALENE","20020-02-4","Clc1c(c2c(c(c1Cl)Cl)cccc2)Cl","Clc1c(c2c(c(c1Cl)Cl)cccc2)Cl","Clc1c(c2c(c(c1Cl)Cl)cccc2)Cl","Clc1c(c2c(c(c1Cl)Cl)cccc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4246,3051,"Benzenamine, N,4-dinitro-","20020-13-7","O=[N+]([O-])Nc1ccc(cc1)[N+](=O)[O-]",null,"O=[N+]([O-])Nc1ccc(cc1)[N+](=O)[O-]","O=[N+]([O-])Nc1ccc(cc1)[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4249,4422,"a-(2,2,2-trichloroethyl)styrene","20057-31-2",null,"C=C(CC(Cl)(Cl)Cl)c1ccccc1",null,"C=C(CC(Cl)(Cl)Cl)c1ccccc1",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4250,1732,"Cinmetacin","20168-99-4","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)C=Cc3ccccc3","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)C=Cc3ccccc3","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)C=Cc3ccccc3","COc1cc2c(cc1)n(c(c2CC(=O)O)C)C(=O)C=Cc3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4252,3748,"L-Alloisoleucine, N-acetyl-","20257-17-4","CCC(C)C(NC(C)=O)C(=O)O","CCC(C)C(NC(C)=O)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed, Checked on PubChem","4238, 4895, 4567"]
[4253,4182,"Propanoic acid, 2-hydroxy-, hexyl ester","20279-51-0","CCCCCCOC(=O)C(C)O","CCCCCCOC(=O)C(C)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[4255,4693,"3-Octanol, (.+-.)-","20296-29-1",null,"CCCCCC(O)CC",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4256,null,"phosphorodithioicacid,s-[2-(ethylsulfonyl)ethy","20301-63-7",null,"CCS(=O)(=O)CCSP(=S)(OC)OC",null,"CCS(=O)(=O)CCSP(=S)(OC)OC",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4258,4230,"METHAZOLE","20354-26-1","Cn1c(n(oc1=O)-c2cc(c(cc2)Cl)Cl)=O","Cn1c(n(oc1=O)-c2cc(c(cc2)Cl)Cl)=O","Cn1c(n(oc1=O)-c2cc(c(cc2)Cl)Cl)=O","Cn1c(n(oc1=O)-c2cc(c(cc2)Cl)Cl)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4259,431,"Acetamide, N-(4-propoxyphenyl)-","20367-32-2","CCCOc1ccc(cc1)NC(C)=O","CCCOc1ccc(cc1)NC(C)=O","CCCOc1ccc(cc1)NC(C)=O","CCCOc1ccc(cc1)NC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4262,467,"2-Bornanone, 3-(hydroxymethyl)-","20618-41-1","CC12C(C(C(CC1)C2(C)C)CO)=O","CC12C(C(C(CC1)C2(C)C)CO)=O",null,"CC12C(C(C(CC1)C2(C)C)CO)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4263,4091,"Urea, 1-methyl-1-o-tolyl-","20632-28-4","Cc1c(cccc1)N(C)C(N)=O","Cc1c(cccc1)N(C)C(N)=O",null,"Cc1c(cccc1)N(C)C(N)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4265,null,"Propanoic acid, 2,2'-dithiobis-, meso","20664-26-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4266,null,"Propanoic acid, 2,2'-[methylenebis(thio)]bis-, (","20664-28-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4268,null,"Butyric acid, 3,3'-thiodi-, meso-","20664-36-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4269,null,"Butyric acid, 2,2'-thiobis[3-methyl-, meso-","20664-40-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4271,null,"2-<(Z)-2,4-dinitro-phenylhydrazono>-propionic ac","20724-92-9",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4272,null,"Propionamide, 2,2'-oxybis-, meso-","20753-85-9",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4275,1480,"Urea, N,N'-bis(4-acetylphenyl)-","20782-48-3","CC(=O)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)=O","CC(=O)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)=O","CC(=O)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)=O","CC(=O)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4276,1221,"1,2-Pentanediol, 1-phenyl-2-propyl-","20805-10-1","CCCC(O)(CCC)C(O)c1ccccc1",null,"CCCC(O)(CCC)C(O)c1ccccc1","CCCC(O)(CCC)C(O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4278,4611,"1,3-Propanediol, 2-nitro-2- (nitrooxy)methyl -,","20820-44-4",{"$nulls":3},"O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])[N+](=O)[O-]",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4279,4112,"Pyridine, 2,3,4,6-tetramethyl-","20820-82-0","Cc1nc(c(c(c1)C)C)C","Cc1nc(c(c(c1)C)C)C","Cc1nc(c(c(c1)C)C)C","Cc1nc(c(c(c1)C)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4281,null,"1H-2-Benzopyran-3-carboxylic, 1-oxo-, methyl est","20836-12-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4282,4245,"Chloraniformethane","20856-57-9","O=CNC(Nc1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl","O=CNC(Nc1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl","O=CNC(Nc1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl","O=CNC(Nc1cc(c(cc1)Cl)Cl)C(Cl)(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4285,null,"Thiourea, N,N''-methylenebis-","20939-13-3",null,null,"N=C(S)NCNC(=N)S","N=C(S)NCNC(=N)S",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4286,1920,"1,2,4-Thiadiazolidine-3,5-dithione","20939-17-7","S=c1[nH]c(s[nH]1)=S","S=c1[nH]c(s[nH]1)=S","S=c1[nH]c(s[nH]1)=S","S=c1[nH]c(s[nH]1)=S",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4288,null,"1,3,4-Pentanetricarboxylic acid, [R-(R*,R*)]-","21142-58-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4289,1577,"Tonalid","21145-77-7","CC(=O)c1c(cc2c(c1)C(CC(C2(C)C)C)(C)C)C","CC(=O)c1c(cc2c(c1)C(CC(C2(C)C)C)(C)C)C","CC(=O)c1c(cc2c(c1)C(CC(C2(C)C)C)(C)C)C","CC(=O)c1c(cc2c(c1)C(CC(C2(C)C)C)(C)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4291,575,"Prynachlor","21267-72-1","C#CC(C)N(C(=O)CCl)c1ccccc1","C#CC(C)N(C(=O)CCl)c1ccccc1","C#CC(C)N(C(=O)CCl)c1ccccc1","C#CC(C)N(C(=O)CCl)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4292,2519,"2-Butanol, 3-chloro-2-methyl-","21326-62-5","CC(Cl)C(C)(C)O",null,"CC(Cl)C(C)(C)O","CC(Cl)C(C)(C)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4294,373,"L-cystein, N-acetyl-S-(4-chlorophenyl)-","21462-48-6","CC(=O)NC(CSc1ccc(cc1)Cl)C(=O)O","CC(=O)NC(CSc1ccc(cc1)Cl)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[4295,2794,"FOSTHIETAN","21548-32-3","CCOP(=O)(N=C1SCS1)OCC","CCOP(=O)(N=C1SCS1)OCC","CCOP(=O)(N=C1SCS1)OCC","CCOP(=O)(N=C1SCS1)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4298,966,"LEPTOPHOS","21609-90-5","COP(=S)(Oc1c(cc(c(c1)Cl)Br)Cl)c2ccccc2","COP(=S)(Oc1c(cc(c(c1)Cl)Br)Cl)c2ccccc2","COP(=S)(Oc1c(cc(c(c1)Cl)Br)Cl)c2ccccc2","COP(=S)(Oc1c(cc(c(c1)Cl)Br)Cl)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4299,null,"Acetamide, N-(1,3-dihydro-1-oxo-6-isobenzofurany","21626-90-4",{"$nulls":3},"CC(=O)Nc1cc2c(cc1)COC2=O",1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[4301,3352,"Benzoic acid, 5-bromo-2-chloro-","21739-92-4","O=C(O)c1c(ccc(c1)Br)Cl","O=C(O)c1c(ccc(c1)Br)Cl","O=C(O)c1c(ccc(c1)Br)Cl","O=C(O)c1c(ccc(c1)Br)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4302,4314,"2H-1,4-Benzoxazin-3(4H)-one, 4-methyl-","21744-84-3","CN1c2c(OCC1=O)cccc2","CN1c2c(OCC1=O)cccc2","CN1c2c(OCC1=O)cccc2","CN1c2c(OCC1=O)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4304,3834,"Di-sec-butanolamine","21838-75-5","CCC(O)CNCC(O)CC","CCC(O)CNCC(O)CC",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[4305,null,"ISOPENTYL NITRATE","21981-48-6","CC(C)CCO[N+](=O)[O-]","CCCC(C)O[N+](=O)[O-]","CC(C)CCO[N+](=O)[O-]","CCCC(C)O[N+](=O)[O-]",2,2,0,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4307,3289,"Cartap Hydrochloride","22042-59-7","CN(C)C(CSC(N)=O)CSC(N)=O","CN(C)C(CSC(N)=O)CSC(N)=O","CN(C)C(CSC(N)=O)CSC(N)=O","CN(C)C(CSC(N)=O)CSC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[4308,1406,"KETOPROFEN","22071-15-4","CC(C(=O)O)c1cc(ccc1)C(=O)c2ccccc2","CC(C(=O)O)c1cc(ccc1)C(=O)c2ccccc2","CC(C(=O)O)c1cc(ccc1)C(=O)c2ccccc2","CC(C(=O)O)c1cc(ccc1)C(=O)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4311,null,"BIOPTERIN","22150-76-1","CC(O)C(O)C=1CNc2c(N1)c(nc([nH]2)N)=O","CC(O)C(O)c1nc2c(nc1)[nH]c(N)nc2=O",null,null,0,2,2,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4312,1153,"NAPROSYN","22204-53-1","COc1cc2c(cc1)cc(C(C)C(=O)O)cc2","COc1cc2c(cc1)cc(C(C)C(=O)O)cc2","COc1cc2c(cc1)cc(C(C)C(=O)O)cc2","COc1cc2c(cc1)cc(C(C)C(=O)O)cc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Differences in counterions",""]
[4314,1068,"FENAMIPHOS","22224-92-6","CCOP(=O)(NC(C)C)Oc1cc(c(cc1)SC)C","CCOP(=O)(NC(C)C)Oc1cc(c(cc1)SC)C","CCOP(=O)(NC(C)C)Oc1cc(c(cc1)SC)C","CCOP(=O)(NC(C)C)Oc1cc(c(cc1)SC)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4315,328,"TETRACHLORVINPHOS","22248-79-9","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl","COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","2777, 4318"]
[4317,3117,"METHYL 3-AMINOTHIOPHENE-2-CARBOXYLATE","22288-78-4","COC(=O)c1c(ccs1)N","COC(=O)c1c(ccs1)N","COC(=O)c1c(ccs1)N","COC(=O)c1c(ccs1)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4318,328,"Tetrachlorvinphos (E-isomer)","22350-76-1",{"$nulls":3},"COP(=O)(OC)OC(=CCl)c1c(cc(c(c1)Cl)Cl)Cl",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Isomeric mix, Manual Check passed","2777, 4315"]
[4320,102,"Acetamide, N-(4-ethoxyphenyl)-2-hydroxy-","22521-79-5","CCOc1ccc(cc1)NC(=O)CO","CCOc1ccc(cc1)NC(=O)CO","CCOc1ccc(cc1)NC(=O)CO","CCOc1ccc(cc1)NC(=O)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4321,1391,"Acetic acid, bis(2-carboxyphenyl)-","22589-07-7","O=C(O)c1c(cccc1)C(C(=O)O)c2c(cccc2)C(=O)O",null,"O=C(O)c1c(cccc1)C(C(=O)O)c2c(cccc2)C(=O)O","O=C(O)c1c(cccc1)C(C(=O)O)c2c(cccc2)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4324,null,"Glycolic acid, propyl ester, nitrate","22665-54-9","CCCOC(=O)CO",null,"CCCOC(=O)CO[N+](=O)[O-]","CCCOC(=O)CO[N+](=O)[O-]",2,1,1,"NO","YES",null,null,"Eliminate","-","Missing/ambiguous"]
[4325,null,"methanesulfonamide,n-phenyl-n-((1,1,2,2-tetrach","22729-75-5",null,"CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)c1ccccc1",null,"CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)c1ccccc1",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4327,404,"BENDIOCARB","22781-23-3","CNC(=O)Oc1c2c(ccc1)OC(O2)(C)C","CNC(=O)Oc1c2c(ccc1)OC(O2)(C)C","CNC(=O)Oc1c2c(ccc1)OC(O2)(C)C","CNC(=O)Oc1c2c(ccc1)OC(O2)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4328,1197,"Anisomycin","22862-76-6","COc1ccc(cc1)CC2C(C(CN2)O)OC(C)=O","COc1ccc(cc1)CC2C(C(CN2)O)OC(C)=O","COc1ccc(cc1)CC2C(C(CN2)O)OC(C)=O","COc1ccc(cc1)CC2C(C(CN2)O)OC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4330,null,"1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(1-n","22915-90-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4331,489,"DIMETHAMRTRYNE","22936-75-0",null,"CCNc1nc(nc(n1)NC(C)C(C)C)SC","CCNc1nc(nc(n1)NC(C)C(C)C)SC","CCNc1nc(nc(n1)NC(C)C(C)C)SC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4333,4467,"1h-imidazole-1-acetamide,2-nitro-n-(phenylmethy","22994-85-0",null,"O=C(Cn1c(ncc1)[N+](=O)[O-])NCc2ccccc2",null,"O=C(Cn1c(ncc1)[N+](=O)[O-])NCc2ccccc2",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4334,1652,"PRALLETHRIN","23031-36-9","C#CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O","C#CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O","C#CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O","C#CCC=1C(CC(C1C)OC(=O)C2C(C2C=C(C)C)(C)C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4337,3232,"OXAMYL","23135-22-0","CNC(=O)ON=C(SC)C(=O)N(C)C","CNC(=O)ON=C(SC)C(=O)N(C)C","CNC(=O)ON=C(SC)C(=O)N(C)C","CNC(=O)ON=C(SC)C(=O)N(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4338,null,"1h-purine-2,6-dione,3,7-dihydro-7-(3-hydroxypro","23146-04-5",null,"Cn1c(n(c2c(c1=O)n(cn2)CCCO)C)=O",null,"Cn1c(n(c2c(c1=O)n(cn2)CCCO)C)=O",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4340,714,"DI(TRIMETHYLOLPROPANE)","23235-61-2","CCC(CO)(CO)COCC(CC)(CO)CO","CCC(CO)(CO)COCC(CC)(CO)CO","CCC(CO)(CO)COCC(CC)(CO)CO","CCC(CO)(CO)COCC(CC)(CO)CO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4341,427,"FORMETANATE HYDROCHLORIDE","23422-53-9","CNC(=O)Oc1cc(ccc1)N=CN(C)C","CNC(=O)Oc1cc(ccc1)N=CN(C)C","CNC(=O)Oc1cc(ccc1)N=CN(C)C","CNC(=O)Oc1cc(ccc1)N=CN(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions","4316"]
[4343,4088,"Heptenophos","23560-59-0","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2","COP(=O)(OC)OC=1C2C(C1Cl)C=CC2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4344,619,"THIOPHANATE-METHYL","23564-05-8","COC(=O)NC(=S)Nc1c(cccc1)NC(=S)NC(=O)OC","COC(=O)NC(=S)Nc1c(cccc1)NC(=S)NC(=O)OC","COC(=O)NC(=S)Nc1c(cccc1)NC(=S)NC(=O)OC","COC(=O)NC(=S)Nc1c(cccc1)NC(=S)NC(=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4347,null,"phosphonicacid,(1,6-hexanediylbis(nitrilobis(m","23605-74-5",null,"O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O",null,"O=P(O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4348,3601,"1H-Purin-8-amine, N,N-dimethyl-","23687-23-2","CN(C)c1nc2-c(n1)c[nH]cn2","CN(C)c1[nH]c2c(n1)ncnc2","CN(C)c1[nH]c2c(n1)cncn2","CN(C)c1[nH]c2c(n1)cncn2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4350,3290,"D-Glucose, (aminocarbonyl)hydrazone","23789-57-3","NC(=O)NN=CC(O)C(O)C(O)C(O)CO",null,"N=C(O)NN=CC(O)C(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)C(O)CO",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","3799, 4742"]
[4351,null,"Benzenesulfonic acid, p-[(p-nitrophenyl)azo]-","23792-61-2","O=[N+]([O-])c1ccc(cc1)N=Nc2ccc(cc2)S(=O)(=O)O",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4353,554,"PRONAMIDE","23950-58-5","C#CC(C)(C)NC(=O)c1cc(cc(c1)Cl)Cl","C#CC(C)(C)NC(=O)c1cc(cc(c1)Cl)Cl","C#CC(C)(C)NC(=O)c1cc(cc(c1)Cl)Cl","C#CC(C)(C)NC(=O)c1cc(cc(c1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4354,647,"TRIAZOPHOS","24017-47-8","CCOP(=S)(OCC)Oc1nn(cn1)-c2ccccc2","CCOP(=S)(OCC)Oc1nn(cn1)-c2ccccc2","CCOP(=S)(OCC)Oc1nn(cn1)-c2ccccc2","CCOP(=S)(OCC)Oc1nn(cn1)-c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4356,4702,"Benzoic acid, 3,5-dihydroxy-4-methoxy-, methyl e","24093-81-0",{"$nulls":3},"COC(=O)c1cc(c(c(c1)O)OC)O",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4357,4009,"2-methyl-4-bromoacetanilide","24106-05-6",null,"CC(=O)Nc1c(cc(cc1)Br)C",null,"CC(=O)Nc1c(cc(cc1)Br)C",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[4360,3614,"Benzenesulfonic acid, 4-(methylamino)-","24447-99-2","CNc1ccc(cc1)S(=O)(=O)O","CNc1ccc(cc1)S(=O)(=O)O","CNc1ccc(cc1)S(=O)(=O)O","CNc1ccc(cc1)S(=O)(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4361,null,"Thiocyanic acid, 1,2,3-propanetriyl ester","24487-40-9","N#CSCC(CSC#N)SC#N",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4363,1022,"PYRACARBOLID","24691-76-7","CC=1OCCCC1C(=O)Nc2ccccc2","CC=1OCCCC1C(=O)Nc2ccccc2","CC=1OCCCC1C(=O)Nc2ccccc2","CC=1OCCCC1C(=O)Nc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4364,565,"Fenfuram","24691-80-3","Cc1c(cco1)C(=O)Nc2ccccc2","Cc1c(cco1)C(=O)Nc2ccccc2","Cc1c(cco1)C(=O)Nc2ccccc2","Cc1c(cco1)C(=O)Nc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4366,3465,"4(3H)-Pteridinone, 3-methyl-","24851-65-8","Cn1c(c2c(nc1)nccn2)=O",null,"Cn1c(c2c(nc1)nccn2)=O","Cn1c(c2c(nc1)nccn2)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4367,4525,"cyclopentaneaceticacid,3-oxo-2-pentyl-,methyl","24851-98-7",null,"CCCCCC1C(CCC1=O)CC(=O)OC",null,"CCCCCC1C(CCC1=O)CC(=O)OC",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4369,3515,"Phenol, 2-iodo-6-methyl-","24885-45-8","Cc1c(c(ccc1)I)O",null,"Cc1c(c(ccc1)I)O","Cc1c(c(ccc1)I)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4370,918,"3,5-Dichlorodiphenyl ether","24910-68-7",null,null,"Clc1cc(cc(c1)Cl)Oc2ccccc2","Clc1cc(cc(c1)Cl)Oc2ccccc2",2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[4373,2544,"CHLORMEPHOS","24934-91-6","CCOP(=S)(OCC)SCCl","CCOP(=S)(OCC)SCCl","CCOP(=S)(OCC)SCCl","CCOP(=S)(OCC)SCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4374,null,"VINYLTOLUENE","25013-15-4","C=Cc1c(cccc1)C","C=Cc1cc(ccc1)C",null,null,0,2,2,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4376,348,"BENAZOLIN-ETHYL","25059-80-7","CCOC(=O)Cn1c2c(sc1=O)cccc2Cl","CCOC(=O)Cn1c2c(sc1=O)cccc2Cl","CCOC(=O)Cn1c2c(sc1=O)cccc2Cl","CCOC(=O)Cn1c2c(sc1=O)cccc2Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4377,3888,"Acetic acid, (2,4-dinitrophenoxy)-","25141-25-7","O=C(O)COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]","O=C(O)COc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4379,null,"DINITROBENZENES","25154-54-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4380,null,"P-I-PROPYLTOLUENE","25155-15-1",null,"Cc1c(cccc1)C(C)C",null,null,1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[4382,null,"CHLOROTOLUENE","25168-05-2","Cc1c(cccc1)Cl","ClCc1ccccc1","*Cl","*Cl",0,2,2,"YES","NO",null,null,"Eliminate","-","Inorganic, Missing/ambiguous"]
[4383,null,"2,4-D, ISOOCTYL ESTER","25168-26-7",null,"CCCCC(CC)COC(=O)COc1c(cc(cc1)Cl)Cl",null,"*C",1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[4386,2437,"IODOBUTANE","25267-27-0","CCCCI","CCCCI",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","2092"]
[4387,1371,"ISOFENPHOS","25311-71-1","CCOP(=S)(NC(C)C)Oc1c(cccc1)C(=O)OC(C)C","CCOP(=S)(NC(C)C)Oc1c(cccc1)C(=O)OC(C)C","CCOP(=S)(NC(C)C)Oc1c(cccc1)C(=O)OC(C)C","CCOP(=S)(NC(C)C)Oc1c(cccc1)C(=O)OC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4389,null,"Benzenesulfonamide, 4-(mannopyranosylamino)-","25318-84-7","NS(=O)(=O)c1ccc(cc1)NC2C(C(C(C(O2)CO)O)O)O",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[4390,389,"MCPA-thioethyl","25319-90-8","CCSC(=O)COc1c(cc(cc1)Cl)C","CCSC(=O)COc1c(cc(cc1)Cl)C","CCSC(=O)COc1c(cc(cc1)Cl)C","CCSC(=O)COc1c(cc(cc1)Cl)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4392,null,"DINITROTOLUENE","25321-14-6","Cc1c(c(ccc1)[N+](=O)[O-])[N+](=O)[O-]","Cc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]",null,null,0,2,2,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4393,null,"DICHLOROBENZENE","25321-22-6","Clc1c(cccc1)Cl","Clc1c(cccc1)Cl",null,null,2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4395,1934,"TRICHLOROETHANE","25323-89-1","CC(Cl)(Cl)Cl",null,"CC(Cl)(Cl)Cl",null,2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on PubChem, Manual Check passed","287"]
[4396,111,"DIETHYLBENZENE","25340-17-4","CCc1c(cccc1)CC","CCc1c(cccc1)CC",null,null,2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on ChemID","1522"]
[4399,1901,"1,2-Dibromoethene","25429-23-6","BrC=CBr","BrC=CBr","BrC=CBr",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","2283"]
[4400,null,"HYDROXYCINNAMIC ACID","25429-38-3","O=C(O)C(O)=Cc1ccccc1","O=C(O)C=Cc1cc(ccc1)O","O=C(O)C=Cc1ccc(cc1)O",null,0,3,1,"YES","NO",null,null,"Eliminate","-","Stereochemistry removed, Missing/ambiguous"]
[4402,912,"Biphenyl, dichloro-","25512-42-9","Clc1c(c(ccc1)-c2ccccc2)Cl","Clc1c(c(ccc1)-c2ccccc2)Cl",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","4106"]
[4403,null,"METHYL ETHYL BENZENE","25550-14-5","CCc1c(cccc1)C","CCc1c(cccc1)C",null,null,2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4405,902,"2,3'-DICHLOROBIPHENYL","25569-80-6","Clc1cc(ccc1)-c2c(cccc2)Cl","Clc1cc(ccc1)-c2c(cccc2)Cl","Clc1cc(ccc1)-c2c(cccc2)Cl","Clc1cc(ccc1)-c2c(cccc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4406,1946,"DIBROMOETHANE","25620-62-6","CC(Br)Br","CC(Br)Br",null,null,2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on ChemID",""]
[4408,null,"Carbonic acid, dithio-, O-benzyl ester, S-ester","25646-09-7",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4409,null,"TRICHLOROPROPANE","25735-29-9","CCC(Cl)(Cl)Cl","CCC(Cl)(Cl)Cl","ClCC(Cl)CCl",null,2,1,1,"NO","YES",null,null,"Eliminate","-","Missing/ambiguous"]
[4412,1825,"PHENOTHRIN","26002-80-2","CC(C)=CC1C(C1C(=O)OCc2cc(ccc2)Oc3ccccc3)(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(ccc2)Oc3ccccc3)(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(ccc2)Oc3ccccc3)(C)C","CC(C)=CC1C(C1C(=O)OCc2cc(ccc2)Oc3ccccc3)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4413,520,"1,4-Naphthalenedione, 2-(methylthio)-","26037-60-5","CSC=1C(c2c(C(C1)=O)cccc2)=O","CSC=1C(c2c(C(C1)=O)cccc2)=O","CSC=1C(c2c(C(C1)=O)cccc2)=O","CSC=1C(c2c(C(C1)=O)cccc2)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4415,1048,"ETHOFUMESATE","26225-79-6","CCOC1C(c2c(O1)ccc(OS(C)(=O)=O)c2)(C)C","CCOC1C(c2c(O1)ccc(OS(C)(=O)=O)c2)(C)C","CCOC1C(c2c(O1)ccc(OS(C)(=O)=O)c2)(C)C","CCOC1C(c2c(O1)ccc(OS(C)(=O)=O)c2)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4416,null,"DIBROMOBENZENE","26249-12-7","Brc1c(cccc1)Br","Brc1c(cccc1)Br","Brc1ccc(cc1)Br",null,2,1,1,"NO","YES",null,null,"Eliminate","-","Missing/ambiguous"]
[4418,1166,"PROFLURALIN","26399-36-0","CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4419,3715,"Tirpate","26419-73-8","CNC(=O)ON=CC1(SC(CS1)C)C","CNC(=O)ON=CC1(SC(CS1)C)C","CNC(=O)ON=CC1(SC(CS1)C)C","CNC(=O)ON=CC1(SC(CS1)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4422,472,"3(2H)-ISOTHIAZOLONE, 2-OCTYL-","26530-20-1","CCCCCCCCn1c(ccs1)=O","CCCCCCCCn1c(ccs1)=O","CCCCCCCCn1c(ccs1)=O","CCCCCCCCn1c(ccs1)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4423,788,"HEXACHLOROBIPHENYL","26601-64-9","Clc1c(cccc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4425,2116,"DICHLOROPROPANE","26638-19-7","CCC(Cl)Cl",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed","459"]
[4426,2050,"ISOFLURANE","26675-46-7","FC(F)OC(Cl)C(F)(F)F","FC(F)OC(Cl)C(F)(F)F","FC(F)OC(Cl)C(F)(F)F","FC(F)OC(Cl)C(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4428,3239,"Mevinphos","26718-65-0","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC","COC(=O)C=C(C)OP(=O)(OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","1688, 3885"]
[4429,null,"DIPHENYLUREA","26763-63-3","NC(=O)N(c1ccccc1)c2ccccc2","NC(=O)N(c1ccccc1)c2ccccc2","O=C(Nc1ccccc1)Nc2ccccc2",null,2,1,1,"NO","YES",null,null,"Eliminate","-","Missing/ambiguous"]
[4431,285,"4(1H)-Pyrimidinone, 5-bromo-2-phenyl-","26786-28-7","O=c1c(c[nH]c(n1)-c2ccccc2)Br",null,null,"O=c1c(cnc([nH]1)-c2ccccc2)Br",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[4432,2709,"HEXYNE","26856-30-4","C#CCCCC","C#CCCCC",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","2314, 2635, 2752"]
[4435,4605,"DICHLOROPROPENE","26952-23-8","CC=C(Cl)Cl",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4436,4546,"butanoicacid,1,2-ethanediylbis(oxy-2,1-ethaned","26962-26-5",null,"CCCC(=O)OCCOCCOCCOC(=O)CCC",null,"CCCC(=O)OCCOCCOCCOC(=O)CCC",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4438,4708,"1h-purine-2,6-dione,3,9-dihydro-1,3,8,9-tetrame","27038-96-6",null,"Cc1n(c2c(n1)c(=O)n(C)c(=O)n2C)C",null,"Cc1n(c2c(n1)c(=O)n(C)c(=O)n2C)C",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4439,null,"DIPROPYLENE GLYCOL, DIBENZOATE","27138-31-4","CC(O)COC(C)CO","O=C(OCCCOCCCOC(=O)c1ccccc1)c2ccccc2","CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c2ccccc2","CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c2ccccc2",2,2,0,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4441,null,"HEXACHLOROCYCLOHEXANE","27154-44-5","ClC1(C(C(CCC1)(Cl)Cl)(Cl)Cl)Cl","ClC1C(C(C(C(C1)(Cl)Cl)Cl)Cl)Cl",null,null,0,2,2,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4442,1876,"Diisodecyl adipate","27178-16-1","CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C","CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[4444,942,"NORFLURAZON","27314-13-2","CNc1c(c(n(nc1)-c2cc(ccc2)C(F)(F)F)=O)Cl","CNc1c(c(n(nc1)-c2cc(ccc2)C(F)(F)F)=O)Cl","CNc1c(c(n(nc1)-c2cc(ccc2)C(F)(F)F)=O)Cl","CNc1c(c(n(nc1)-c2cc(ccc2)C(F)(F)F)=O)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4445,null,"Glycerol-.alpha.-nitrate","27321-61-5",null,"O=[N+]([O-])OCC(O)CO",null,null,1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[4448,833,"Quinonamid","27541-88-4","O=C1c2c(C(C(=C1Cl)NC(=O)C(Cl)Cl)=O)cccc2","O=C1c2c(C(C(=C1Cl)NC(=O)C(Cl)Cl)=O)cccc2","O=C1c2c(C(C(=C1Cl)NC(=O)C(Cl)Cl)=O)cccc2","O=C1c2c(C(C(=C1Cl)NC(=O)C(Cl)Cl)=O)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4449,1849,"DIISOOCTYL PHTHALATE","27554-26-3","CC(C)CCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC(C)C","CC(C)CCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCC(C)C",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[4451,337,"Probenazole","27605-76-1","C=CCOC=1c2c(S(N1)(=O)=O)cccc2","C=CCOC=1c2c(S(N1)(=O)=O)cccc2","C=CCOC=1c2c(S(N1)(=O)=O)cccc2","C=CCOC=1c2c(S(N1)(=O)=O)cccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4452,4634,"2-BUTANONE, 3-ETHOXY-1,1-DIHYDROXY-; OR KETHOXAL","27762-78-3",null,"CCOC(C)C(=O)C(O)O",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Illegal Name, Manual Check passed",""]
[4454,4154,"Pentanedioic acid, 2,4-diethyl-","27899-21-4","CCC(CC(CC)C(=O)O)C(=O)O",null,"CCC(CC(CC)C(=O)O)C(=O)O","CCC(CC(CC)C(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4455,null,"3-Pyrazoline-5-thione, 1,3-dimethyl-2-phenyl-","28022-64-2","Cc1n(n(c(c1)=S)C)-c2ccccc2",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[4457,2605,"2H-Purine-2-thione, 1,3-dihydro-","28128-19-0","S=c1[nH]c2-c(c[nH]1)ncn2","S=c1[nH]c2c(cn1)[nH]cn2","Sc1[nH]c2-c(cn1)ncn2","Sc1[nH]c2-c(cn1)ncn2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4458,928,"2,6-Dinitro-biphenyl-3-ol","28174-58-5","O=[N+]([O-])c1c(c(c(cc1)O)[N+](=O)[O-])-c2ccccc2",null,"O=[N+]([O-])c1c(c(c(cc1)O)[N+](=O)[O-])-c2ccccc2","O=[N+]([O-])c1c(c(c(cc1)O)[N+](=O)[O-])-c2ccccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4461,2940,"CHLOROTRINITROBENZENE","28260-61-9","O=[N+]([O-])c1c(c(c(cc1)Cl)[N+](=O)[O-])[N+](=O)[O-]","O=[N+]([O-])c1c(c(c(cc1)Cl)[N+](=O)[O-])[N+](=O)[O-]",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[4462,913,"2,6-Dichlorodiphenyl ether","28419-69-4",null,"Clc1c(c(ccc1)Cl)Oc2ccccc2","Clc1c(c(ccc1)Cl)Oc2ccccc2","Clc1c(c(ccc1)Cl)Oc2ccccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4464,3146,"1,2-Dithiane-3,6-dicarboxylic acid, cis-","28463-60-7","O=C(O)C1SSC(CC1)C(=O)O",null,"O=C(O)C1SSC(CC1)C(=O)O","O=C(O)C1SSC(CC1)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","4547"]
[4465,2616,"2,4(1H,3H)-Pyrimidinedione, 1-methyl-5-nitro-","28495-88-7","Cn1c([nH]c(c(c1)[N+](=O)[O-])=O)=O",null,"Cn1c([nH]c(c(c1)[N+](=O)[O-])=O)=O","Cn1c([nH]c(c(c1)[N+](=O)[O-])=O)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4467,4714,"Cyclobutanecarboxylic acid, 3-acetyl-2,2-dimethy","28587-41-9",{"$nulls":3},"CC(=O)C1C(C(C1)C(=O)O)(C)C",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[4468,null,"Cyclobutanecarboxylic acid, 3-[1-[(aminocarbonyl","28587-42-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4470,null,"1,2,3-Benzenetricarboxylic acid, 5-chloro-","29016-74-8","O=C(O)c1c(c(cc(c1)Cl)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4471,null,"OCTANOL (isomer mix)","29063-28-3",null,"CCCCCC(O)CC",null,null,1,0,3,"NO","NO",null,null,"Eliminate","-","Mixture"]
[4474,null,"BENZOXIMATE","29104-30-1","CCN(OC(=O)c1ccccc1)C(=O)c2c(c(ccc2OC)Cl)OC","CCN(OC(=O)c1ccccc1)C(=O)c2c(c(ccc2OC)Cl)OC","CCON=C(OC(=O)c1ccccc1)c2c(c(ccc2OC)Cl)OC","CCON=C(OC(=O)c1ccccc1)c2c(c(ccc2OC)Cl)OC",2,2,0,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4475,1217,"ATENOLOL","29122-68-7","CC(C)NCC(O)COc1ccc(cc1)CC(N)=O","CC(C)NCC(O)COc1ccc(cc1)CC(N)=O","CC(C)NCC(O)COc1ccc(cc1)CC(N)=O","CC(C)NCC(O)COc1ccc(cc1)CC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4477,3253,"Mercarphon [ISO]","29173-31-7","COC(=O)N(C)C(=O)CSP(C)(=S)OC","COC(=O)N(C)C(=O)CSP(C)(=S)OC",null,"COC(=O)N(C)C(=O)CSP(C)(=S)OC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4478,476,"PIRIMIPHOS-METHYL","29232-93-7","CCN(CC)c1nc(cc(n1)C)OP(=S)(OC)OC","CCN(CC)c1nc(cc(n1)C)OP(=S)(OC)OC","CCN(CC)c1nc(cc(n1)C)OP(=S)(OC)OC","CCN(CC)c1nc(cc(n1)C)OP(=S)(OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4480,null,"HEXADECANOL","29354-98-1","CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCC(O)CCC","CCCCCCCCCCCCCCCCO",null,2,1,1,"NO","YES",null,null,"Eliminate","-","Missing/ambiguous"]
[4481,4696,"Benzoic acid, 3-brom-4-hydroxy-, methyl ester","29415-97-2",{"$nulls":3},"COC(=O)c1cc(c(cc1)O)Br",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4484,null,"2-Naphthalenesulfonic acid, 1-[(2-hydroxy-1-naph","29482-83-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4485,4570,"1-Naphthalenecarboxamide, N-hydroxy-N-phenyl-","29556-17-0","O=C(c1c2c(ccc1)cccc2)N(O)c3ccccc3",null,"O=C(c1c2c(ccc1)cccc2)N(O)c3ccccc3",null,2,0,2,"NO","NO",4,0,"Maintain","High Reliability","Checked on PubChem, Manual Check passed",""]
[4487,1095,"Benzamide, 3,5-dinitro-N-phenyl-N-hydroxy-","29556-22-7","O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N(O)c2ccccc2",null,null,"O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N(O)c2ccccc2",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[4488,null,"Isovaline, N-formyl-, DL-","29588-10-1","CCC(C)(NC=O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4490,4625,"glycine,n-(dithiocarboxy)-,n-esterwithmercap","29677-65-4",null,"O=C(O)CNC(=S)SCC(=O)O",null,"O=C(O)CNC(=S)SCC(=O)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4491,593,"Benzamide, N-[2-(1H-imidazol-4-yl)ethyl]-","29677-71-2","O=C(NCCc1nc[nH]c1)c2ccccc2",null,"OC(=NCCc1[nH]cnc1)c2ccccc2","OC(=NCCc1[nH]cnc1)c2ccccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4493,4207,"2-Propanol, 1-(1-methyl-2-propoxyethoxy)-","29911-27-1","CCCOCC(C)OCC(C)O","CCCOCC(C)OCC(C)O","CCCOCC(C)OCC(C)O","CCCOCC(C)OCC(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4494,242,"2-Propanol, 1-(2-butoxy-1-methylethoxy)-","29911-28-2","CCCCOCC(C)OCC(C)O","CCCCOCC(C)OCC(C)O","CCCCOCC(C)OCC(C)O","CCCCOCC(C)OCC(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4497,2336,"1,2:3,4-DIEPOXYBUTANE (2S,3S)","30031-64-2",null,"C1C(O1)C2OC2",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed","1692, 2183, 2911, 4505"]
[4498,3203,"Ethidimuron","30043-49-3","CCS(=O)(=O)c1sc(nn1)N(C)C(=O)NC","CCS(=O)(=O)c1sc(nn1)N(C)C(=O)NC","CCS(=O)(=O)c1sc(nn1)N(C)C(=O)NC","CCS(=O)(=O)c1sc(nn1)N(C)C(=O)NC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4500,null,"D-Mannitol, 1,2,3,5,6-pentanitrate","30236-28-3",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4501,4244,"propanoicacid,2-(2,4,5-trichlorophenoxy)-,(r)","30365-50-5",null,"CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O",null,"CC(Oc1c(cc(c(c1)Cl)Cl)Cl)C(=O)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed","709"]
[4503,2691,"1,3,5-Triazine-2,4-diamine, N,N'-dimethyl-","30368-50-4","CNc1nc(ncn1)NC","CNc1nc(ncn1)NC",null,null,2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[4504,2810,"2-FURANOL, 5-ETHYLTETRAHYDRO-","30414-44-9","CCC1OC(CC1)O",null,"CCC1OC(CC1)O","CCC1OC(CC1)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4506,4149,"1,6-DIOXASPIRO[4,4]NONANE, 2,7-DIMETHYL-","30483-86-4","CC1OC2(CC1)OC(CC2)C",null,null,"CC1OC2(CC1)OC(CC2)C",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[4507,93,"THYMIDINE, 3'-AZIDO-3'-DEOXY-","30516-87-1","Cc1c([nH]c(n(c1)C2OC(C(C2)N=[N+]=[N-])CO)=O)=O","Cc1c([nH]c(n(c1)C2OC(C(C2)N=[N+]=[N-])CO)=O)=O","Cc1c([nH]c(n(c1)C2OC(C(C2)N=[N+]=[N-])CO)=O)=O","Cc1c([nH]c(n(c1)C2OC(C(C2)N=[N+]=[N-])CO)=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4510,3470,"Pteridine, 4-methoxy-","30564-38-6","COc1c2c(ncn1)nccn2",null,"COc1c2c(ncn1)nccn2","COc1c2c(ncn1)nccn2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4511,null,"ZOLONE","30725-71-4","CCOP(=S)(OCC)SCn1c2c(oc1=O)cc(Cl)cc2","CCOP(=S)(OCC)SCn1c2c(oc1=O)cccc2","O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]",null,0,3,1,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4513,1464,"BENZO(A)FLUORENE","30777-18-5","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4","c1cc2c(cc1)-c3c(C2)c4c(cc3)cccc4",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"1667"]
[4514,1463,"BENZO(B)FLUORENE","30777-19-6","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3","c1cc2c(cc1)-c3c(C2)cc4c(cccc4)c3",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"1669"]
[4516,457,"Cafaminol","30924-31-3","CN(CCO)c1n(c2c(n1)n(c(n(c2=O)C)=O)C)C","CN(CCO)c1n(c2c(n1)n(c(n(c2=O)C)=O)C)C","CN(CCO)c1n(c2c(n1)n(c(n(c2=O)C)=O)C)C","CN(CCO)c1n(c2c(n1)n(c(n(c2=O)C)=O)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4517,null,"Butanedioic acid, 2-hydroxy-2-phenyl-","30952-65-9","O=C(O)CC(O)(C(=O)O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4519,3119,"3(2H)-Thiazoleacetic acid, 4-methyl-2-thioxo-","31090-12-7","Cc1n(c(sc1)=S)CC(=O)O",null,"Cc1n(c(sc1)=S)CC(=O)O","Cc1n(c(sc1)=S)CC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4520,1564,"METRIZAMIDE","31112-62-6","CC(=O)Nc1c(c(c(c(c1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(C)=O)I","CC(=O)Nc1c(c(c(c(c1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(C)=O)I","CC(=O)Nc1c(c(c(c(c1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(C)=O)I","CC(=O)Nc1c(c(c(c(c1I)C(=O)NC2C(C(C(OC2O)CO)O)O)I)N(C)C(C)=O)I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4523,4607,"Ethane, [(iodomethyl)sulfonyl]-","31355-01-8","CCS(=O)(=O)CI",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4524,3804,"3-Methyl-2-heptanol","31367-46-1","CCCCC(C)C(C)O","CCCCC(C)C(C)O","CCCCC(C)C(C)O","CCCCC(C)C(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4526,4497,"2',3,4,4',5'-pcb","31508-00-6",null,"Clc1c(cc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",null,"Clc1c(cc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4527,1728,"BENZO[a]PYRENE, 5-METHYL-","31647-36-6","Cc1c2cc3c(c4ccc5cccc(c1)c5c42)cccc3","Cc1c2cc3c(c4ccc5cccc(c1)c5c42)cccc3","Cc1c2cc3c(c4ccc5cccc(c1)c5c42)cccc3","Cc1c2cc3c(c4ccc5cccc(c1)c5c42)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4529,null,"HEPTACHLORONAPHTHALENE","32241-08-0","Clc1c(c(c2c(c1)c(Cl)c(Cl)c(Cl)c2Cl)Cl)Cl","Clc1c(c2c(c(c1)Cl)c(Cl)c(Cl)c(Cl)c2Cl)Cl",null,null,0,2,2,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4530,2327,"DIVICINE","32267-39-3","NC=1NC(C(C(N1)N)=O)=O","NC=1NC(C(C(N1)N)=O)=O","N=c1[nH]c(c(c(n1)O)O)N","N=c1[nH]c(c(c(n1)O)O)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4532,1593,"9-Octadecenoic acid, 12-(sulfooxy)-, (Z)-","32430-00-5","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O",null,"CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","4634"]
[4533,null,"4-quinolinecarboxylicacid,1,2-dihydro-6-methox","32431-29-1",null,"COc1cc2c(cc1)[nH]c(=O)cc2C(=O)O",null,"COc1cc2c(cc1)[nH]c(=O)cc2C(=O)O",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4536,2314,"2(3H)-Thiazolone, 4-methyl-","32497-10-2","Cc1[nH]c(sc1)=O","Cc1[nH]c(sc1)=O","Cc1[nH]c(sc1)=O","Cc1[nH]c(sc1)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4537,2402,"Succinamic acid, 3-amino-2-hydroxy-","32503-98-3","NC(=O)C(N)C(O)C(=O)O",null,"N=C(O)C(N)C(O)C(=O)O","N=C(O)C(N)C(O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4539,843,"2,3',4,4'-TETRACHLOROBIPHENYL","32598-10-0","Clc1cc(c(cc1)-c2cc(c(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2cc(c(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2cc(c(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2cc(c(cc2)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4540,844,"2,3',4',5-TETRACHLOROBIPHENYL","32598-11-1","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4542,856,"3,3',4,4'-TETRACHLOROBIPHENYL","32598-13-3","Clc1c(cc(cc1)-c2cc(c(cc2)Cl)Cl)Cl","Clc1c(cc(cc1)-c2cc(c(cc2)Cl)Cl)Cl","Clc1c(cc(cc1)-c2cc(c(cc2)Cl)Cl)Cl","Clc1c(cc(cc1)-c2cc(c(cc2)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4543,826,"2,3,3',4,4'-PENTACHLORO-1,1'-BIPHENYL","32598-14-4","Clc1c(cc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4545,null,"BENZOIC ACID, 2-(ACETYLOXY)-, (2,5-DIOXO-1-PYRRO","32620-72-7",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4546,850,"2,4,4',5-TETRACHLOROBIPHENYL","32690-93-0","Clc1ccc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(cc(c(c2)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4549,4496,"3,3',4,4',5,5'-pcb","32774-16-6",null,"Clc1c(c(cc(c1)-c2cc(c(c(c2)Cl)Cl)Cl)Cl)Cl",null,"Clc1c(c(cc(c1)-c2cc(c(c(c2)Cl)Cl)Cl)Cl)Cl",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4550,980,"PROCYMIDONE","32809-16-8","CC12C(C1)(C)C(=O)N(c3cc(cc(c3)Cl)Cl)C2=O","CC12C(C1)(C)C(=O)N(c3cc(cc(c3)Cl)Cl)C2=O","CC12C(C1)(C)C(=O)N(c3cc(cc(c3)Cl)Cl)C2=O","CC12C(C1)(C)C(=O)N(c3cc(cc(c3)Cl)Cl)C2=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4552,4243,"M-BROMOCINNAMIC ACID","32862-97-8","O=C(O)C=Cc1cc(ccc1)Br","O=C(O)C=Cc1cc(ccc1)Br","O=C(O)C=Cc1cc(ccc1)Br","O=C(O)C=Cc1cc(ccc1)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4553,851,"2,3,4,4'-PCB","33025-41-1",null,"Clc1ccc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(c(cc2)Cl)Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4555,732,"1,1'-Biphenyl, 2,2',3,3',4,4',6,6'-octachloro-","33091-17-7","Clc1c(c(c(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4556,96,"2-ethylacetanilide","33098-65-6","CCCC(=O)Nc1ccccc1","CCc1c(cccc1)NC(C)=O","CCc1c(cccc1)NC(C)=O","CCc1c(cccc1)NC(C)=O",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[4559,587,"FLUCHLORALIN","33245-39-5","CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4560,903,"2,4-DICHLOROBIPHENYL","33284-50-3","Clc1cc(c(cc1)-c2ccccc2)Cl","Clc1cc(c(cc1)-c2ccccc2)Cl","Clc1cc(c(cc1)-c2ccccc2)Cl","Clc1cc(c(cc1)-c2ccccc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4562,4498,"2,3,4,5-pcb","33284-53-6",null,"Clc1c(c(c(c(c1)-c2ccccc2)Cl)Cl)Cl",null,"Clc1c(c(c(c(c1)-c2ccccc2)Cl)Cl)Cl",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4563,854,"2,3,5,6-TETRACHLOROBIPHENYL","33284-54-7","Clc1c(c(c(c(c1)Cl)Cl)-c2ccccc2)Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2ccccc2)Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2ccccc2)Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2ccccc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4565,766,"1,3,6,8-TETRACHLORODIBENZO-P-DIOXIN","33423-92-6","Clc1cc2c(c(c1)Cl)Oc3c(O2)c(Cl)cc(Cl)c3","Clc1cc2c(c(c1)Cl)Oc3c(O2)c(Cl)cc(Cl)c3",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[4566,null,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpro","33492-49-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4568,1208,"BUTRALIN","33629-47-9","CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]","CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]","CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]","CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4569,207,"TERBUMETON","33693-04-8","CCNc1nc(nc(n1)NC(C)(C)C)OC","CCNc1nc(nc(n1)NC(C)(C)C)OC","CCNc1nc(nc(n1)NC(C)(C)C)OC","CCNc1nc(nc(n1)NC(C)(C)C)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4572,1363,"ISOPROPALIN","33820-53-0","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-]","CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4573,830,"2,7-DICHLORODIBENZO-P-DIOXIN","33857-26-0","Clc1cc2c(cc1)Oc3c(O2)ccc(Cl)c3","Clc1cc2c(cc1)Oc3c(O2)ccc(Cl)c3","Clc1cc2c(cc1)Oc3c(O2)ccc(Cl)c3","Clc1cc2c(cc1)Oc3c(O2)ccc(Cl)c3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4575,776,"2,2',4,4',6,6'-PCB","33979-03-2",null,"Clc1cc(c(c(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4576,4148,"TEBUTHIURON","34014-18-1","CNC(=O)N(C)c1sc(nn1)C(C)(C)C","CNC(=O)N(C)c1sc(nn1)C(C)(C)C","CNC(=O)N(C)c1sc(nn1)C(C)(C)C","CNC(=O)N(C)c1sc(nn1)C(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4578,2764,"L-Alanine, N-[(ethylthio)thioxomethyl]-","34101-08-1","CCSC(=S)NC(C)C(=O)O",null,"CCSC(=S)NC(C)C(=O)O","CCSC(=S)NC(C)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","5144"]
[4579,670,"ISOPROTURON","34123-59-6","CC(C)c1ccc(cc1)NC(=O)N(C)C","CC(C)c1ccc(cc1)NC(=O)N(C)C","CC(C)c1ccc(cc1)NC(=O)N(C)C","CC(C)c1ccc(cc1)NC(=O)N(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4581,null,"Xylose, methyl hemiacetal, pentaacetate, (1R)-D-","34168-73-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4582,1495,"1,1-BIS(P-MEO-PH)-2-NITROPROPANE","34197-26-7",null,"COc1ccc(cc1)C(c2ccc(cc2)OC)C(C)[N+](=O)[O-]","COc1ccc(cc1)C(c2ccc(cc2)OC)C(C)[N+](=O)[O-]","COc1ccc(cc1)C(c2ccc(cc2)OC)C(C)[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4585,null,"CUMYLPHENYL DIPHENYL PHOSPHATE","34364-42-6","CC(C)(c1ccccc1)c2c(cccc2)OP(=O)(Oc3ccccc3)Oc4ccccc4","CC(C)c1cc(cc(c1)OP(=O)(Oc2ccccc2)Oc3ccccc3)-c4ccccc4",null,null,0,2,2,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4586,null,"N1-(6-CL-3-PYRIDYL)SULFANILAMIDE","34392-82-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4588,null,"HEXACHLORODIBENZO-P-DIOXIN","34465-46-8","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[4589,null,"n-BUTYL MERCURY CYANIDE","34472-57-6","CCCC[Hg]C#N",{"$nulls":3},1,0,3,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[4591,4663,"DIPROPYLENE GLYCOL METHYL ETHER","34590-94-8","COC(C)COC(C)CO","COC(C)COC(C)CO",null,null,2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4592,637,"ORBENCARB","34622-58-7","CCN(CC)C(=O)SCc1c(cccc1)Cl","CCN(CC)C(=O)SCc1c(cccc1)Cl","CCN(CC)C(=O)SCc1c(cccc1)Cl","CCN(CC)C(=O)SCc1c(cccc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4594,3245,"Butocarboxim","34681-10-2","CNC(=O)ON=C(C)C(C)SC","CNC(=O)ON=C(C)C(C)SC","CNC(=O)ON=C(C)C(C)SC","CNC(=O)ON=C(C)C(C)SC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4595,3250,"Butoxycarboxim","34681-23-7","CNC(=O)ON=C(C)C(C)S(C)(=O)=O","CNC(=O)ON=C(C)C(C)S(C)(=O)=O","CNC(=O)ON=C(C)C(C)S(C)(=O)=O","CNC(=O)ON=C(C)C(C)S(C)(=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4598,null,"Butanedioic acid, 2-methyl-3-(1-methylethyl)-","34861-84-2","CC(C)C(C(=O)O)C(C)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[4599,null,"3,4-Heptanediol, 3-ethyl-6-methyl-","34866-32-5","CCC(O)(CC)C(O)CC(C)C",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[4601,906,"2,4'-DICHLOROBIPHENYL","34883-43-7","Clc1ccc(cc1)-c2c(cccc2)Cl","Clc1ccc(cc1)-c2c(cccc2)Cl","Clc1ccc(cc1)-c2c(cccc2)Cl","Clc1ccc(cc1)-c2c(cccc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4602,4660,"Propanoic acid, 2-hydroxy-2-methyl-, 1-methyleth","34900-10-2",{"$nulls":3},"CC(C)OC(=O)C(C)(C)O",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4604,793,"2,4,5,2',4',5'-HEXACHLOROBIPHENYL","35065-27-1","Clc1c(cc(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4605,789,"2,2',3,4,4',5'-HEXACHLOROBIPHENYL","35065-28-2","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4607,760,"2,2',3,3',4,4',5-HEPTACHLOROBIPHENYL","35065-30-6","Clc1c(c(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4608,4014,"DL-Alanine, N-(2-chlorophenyl)-","35224-54-5","CC(Nc1c(cccc1)Cl)C(=O)O",null,null,"CC(Nc1c(cccc1)Cl)C(=O)O",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed, Checked on PubChem",""]
[4611,1258,"DIFLUBENZURON","35367-38-5","O=C(NC(=O)c1c(cccc1F)F)Nc2ccc(cc2)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2ccc(cc2)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2ccc(cc2)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2ccc(cc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4612,3729,"Butanedioic acid, 2,3-diethyl-, (R*,S*)-","35392-80-4","CCC(C(=O)O)C(CC)C(=O)O","CCC(C(=O)O)C(CC)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem","2860"]
[4614,3910,"Benzoic acid, 5-chloro-2-hydroxy-4-methyl-","35458-35-6","Cc1c(cc(c(c1)O)C(=O)O)Cl",null,"Cc1c(cc(c(c1)O)C(=O)O)Cl","Cc1c(cc(c(c1)O)C(=O)O)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4615,1145,"IMAZALIL BASE","35554-44-0",null,"C=CCOC(Cn1cncc1)c2c(cc(cc2)Cl)Cl","C=CCOC(Cn1cncc1)c2c(cc(cc2)Cl)Cl","C=CCOC(Cn1cncc1)c2c(cc(cc2)Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4617,878,"2,4,6-TRICHLOROBIPHENYL","35693-92-6","Clc1cc(c(c(c1)Cl)-c2ccccc2)Cl","Clc1cc(c(c(c1)Cl)-c2ccccc2)Cl","Clc1cc(c(c(c1)Cl)-c2ccccc2)Cl","Clc1cc(c(c(c1)Cl)-c2ccccc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4618,834,"2,2',5,5'-TETRACHLOROBIPHENYL","35693-99-3","Clc1cc(c(cc1)Cl)-c2c(ccc(c2)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(ccc(c2)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(ccc(c2)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(ccc(c2)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4621,3780,"Pentanoic acid, 3-hydroxy-2,2,4-trimethyl-","35763-45-2","CC(C)C(O)C(C)(C)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on ChemID, Checked on PubChem",""]
[4622,null,"Benzenepropanoic acid, .alpha.-ethyl-.beta.-hydr","35781-54-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4624,4494,"PENTACHLORODIBENZO-P-DIOXIN","36088-22-9",null,null,"Clc1c2c(ccc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl",null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on PubChem, Manual Check passed",""]
[4625,1295,"PIROXICAM","36322-90-4","CN1S(c2c(C(C1=C(O)Nc3ncccc3)=O)cccc2)(=O)=O","CN1S(c2c(C(C1=C(O)Nc3ncccc3)=O)cccc2)(=O)=O","CN1S(c2c(C(=C1C(=O)Nc3ncccc3)O)cccc2)(=O)=O","CN1S(c2c(C(=C1C(=O)Nc3ncccc3)O)cccc2)(=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4627,1063,"BUTAMIFOS","36335-67-8","CCOP(=S)(NC(C)CC)Oc1c(ccc(c1)C)[N+](=O)[O-]","CCOP(=S)(NC(C)CC)Oc1c(ccc(c1)C)[N+](=O)[O-]","CCOP(=S)(NC(C)CC)Oc1c(ccc(c1)C)[N+](=O)[O-]","CCOP(=S)(NC(C)CC)Oc1c(ccc(c1)C)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4628,null,"HEXABROMOBIPHENYL","36355-01-8","Brc1c(cccc1)-c2c(c(c(c(c2Br)Br)Br)Br)Br","Brc1c(c(c(cc1)-c2c(c(c(cc2)Br)Br)Br)Br)Br","*Cl","*Cl",0,2,2,"YES","NO",null,null,"Eliminate","-","Inorganic, Missing/ambiguous"]
[4630,1112,"Phosdiphen","36519-00-3","CCOP(=O)(Oc1c(cc(cc1)Cl)Cl)Oc2c(cc(cc2)Cl)Cl","CCOP(=O)(Oc1c(cc(cc1)Cl)Cl)Oc2c(cc(cc2)Cl)Cl","CCOP(=O)(Oc1c(cc(cc1)Cl)Cl)Oc2c(cc(cc2)Cl)Cl","CCOP(=O)(Oc1c(cc(cc1)Cl)Cl)Oc2c(cc(cc2)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4631,839,"2,2',3,4'-TETRACHLOROBIPHENYL","36559-22-5","Clc1cc(c(cc1)-c2c(c(ccc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(ccc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(ccc2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(ccc2)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4634,1593,"9-OCTADECENOIC ACID, 12-(SULFOOXY)-","36634-48-7","CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O",null,"CCCCCCC(CC=CCCCCCCCC(=O)O)OS(=O)(=O)O",null,2,0,2,"NO","NO",4,0,"Maintain","High Reliability","Checked on ChemID, Checked on PubChem, Manual Check passed","4532"]
[4635,1458,"1-HEXADECANOL","36653-82-4","CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCO","CCCCCCCCCCCCCCCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4637,1452,"TIOCARBAZIL","36756-79-3","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC","CCC(C)N(C(=O)SCc1ccccc1)C(C)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4638,3436,"BENZAMIDE, 2-AMINO-3,5-DICHLORO-","36765-01-2","NC(=O)c1c(c(cc(c1)Cl)Cl)N","NC(=O)c1c(c(cc(c1)Cl)Cl)N",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[4640,1649,"LABETALOL","36894-69-6","CC(CCc1ccccc1)NCC(O)c2cc(c(cc2)O)C(N)=O","CC(CCc1ccccc1)NCC(O)c2cc(c(cc2)O)C(N)=O","CC(CCc1ccccc1)NCC(O)c2cc(c(cc2)O)C(N)=O","CC(CCc1ccccc1)NCC(O)c2cc(c(cc2)O)C(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4641,1450,"BENZOIC ACID, 4-AMINO-, NONYL ESTER","37139-21-2","CCCCCCCCCOC(=O)c1ccc(cc1)N",null,"CCCCCCCCCOC(=O)c1ccc(cc1)N","CCCCCCCCCOC(=O)c1ccc(cc1)N",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4643,1374,"METOPROLOL","37350-58-6","COCCc1ccc(cc1)OCC(O)CNC(C)C","COCCc1ccc(cc1)OCC(O)CNC(C)C","COCCc1ccc(cc1)OCC(O)CNC(C)C","COCCc1ccc(cc1)OCC(O)CNC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4644,969,"Benzamide, N-hydroxy-2-iodo-N-phenyl-","37433-80-0","O=C(c1c(cccc1)I)N(O)c2ccccc2",null,"O=C(c1c(cccc1)I)N(O)c2ccccc2","O=C(c1c(cccc1)I)N(O)c2ccccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4647,3409,"Pyrido[3,2-d]pyrimidin-4(1H)-one","37538-67-3","O=c1c2c([nH]cn1)cccn2",null,"O=c1c2c([nH]cn1)cccn2","O=c1c2c([nH]cn1)cccn2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4648,871,"2,2',5-TRICHLOROBIPHENYL","37680-65-2","Clc1cc(c(cc1)Cl)-c2c(cccc2)Cl","Clc1cc(c(cc1)Cl)-c2c(cccc2)Cl","Clc1cc(c(cc1)Cl)-c2c(cccc2)Cl","Clc1cc(c(cc1)Cl)-c2c(cccc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4650,877,"2',3,5-TRICHLOROBIPHENYL","37680-68-5","Clc1cc(cc(c1)Cl)-c2c(cccc2)Cl","Clc1cc(cc(c1)Cl)-c2c(cccc2)Cl","Clc1cc(cc(c1)Cl)-c2c(cccc2)Cl","Clc1cc(cc(c1)Cl)-c2c(cccc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4651,804,"2,4,5,2',5'-PENTACHLOROBIPHENYL","37680-73-2","Clc1cc(c(cc1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4653,2121,"1-Chloro-2-nitropropane","37809-02-2","CC(CCl)[N+](=O)[O-]","CC(CCl)[N+](=O)[O-]","CC(CCl)[N+](=O)[O-]","CC(CCl)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4654,1238,"1,2-Bis(2,4,6-tribromophenoxy)ethane","37853-59-1","Brc1cc(c(c(c1)Br)OCCOc2c(cc(cc2Br)Br)Br)Br","Brc1cc(c(c(c1)Br)OCCOc2c(cc(cc2Br)Br)Br)Br","Brc1cc(c(c(c1)Br)OCCOc2c(cc(cc2Br)Br)Br)Br","Brc1cc(c(c(c1)Br)OCCOc2c(cc(cc2Br)Br)Br)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4656,null,"Etacelasil","37894-46-5","COCCO[Si](CCCl)(OCCOC)OCCOC","COCCO[Si](CCCl)(OCCOC)OCCOC","COCCO[Si](CCCl)(OCCOC)OCCOC","COCCO[Si](CCCl)(OCCOC)OCCOC",4,0,0,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[4657,1122,"PERFLUIDONE","37924-13-3","Cc1c(ccc(c1)S(=O)(=O)c2ccccc2)NS(=O)(=O)C(F)(F)F","Cc1c(ccc(c1)S(=O)(=O)c2ccccc2)NS(=O)(=O)C(F)(F)F","Cc1c(ccc(c1)S(=O)(=O)c2ccccc2)NS(=O)(=O)C(F)(F)F","Cc1c(ccc(c1)S(=O)(=O)c2ccccc2)NS(=O)(=O)C(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4660,null,"D-Cysteine, L-leucyl-, (2.fwdarw.2')-disulfide","38062-65-6",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4661,486,"D-Glutamine, N2-L-leucyl-","38062-69-0","CC(C)CC(N)C(=O)NC(CCC(N)=O)C(=O)O",null,"CC(C)CC(N)C(O)=NC(CCC(=N)O)C(=O)O","CC(C)CC(N)C(O)=NC(CCC(=N)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[4663,22,"Acetic acid, (2-bromo-4,6-dimethylphenoxy)-","38206-98-3","Cc1cc(c(c(c1)C)OCC(=O)O)Br",null,null,"Cc1cc(c(c(c1)C)OCC(=O)O)Br",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[4664,176,"ETRIMFOS","38260-54-7","CCOc1nc(nc(c1)OP(=S)(OC)OC)CC","CCOc1nc(nc(c1)OP(=S)(OC)OC)CC","CCOc1nc(nc(c1)OP(=S)(OC)OC)CC","CCOc1nc(nc(c1)OP(=S)(OC)OC)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4666,1585,"PENBUTOLOL","38363-40-5","CC(C)(C)NCC(O)COc1c(cccc1)C2CCCC2","CC(C)(C)NCC(O)COc1c(cccc1)C2CCCC2","CC(C)(C)NCC(O)COc1c(cccc1)C2CCCC2","CC(C)(C)NCC(O)COc1c(cccc1)C2CCCC2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4667,802,"2,2',3,5',6-PENTACHLOROBIPHENYL","38379-99-6","Clc1cc(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(ccc2Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4669,806,"2,2',3,4,5'-PENTACHLOROBIPHENYL","38380-02-8","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(cc2)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4670,813,"2,3,3',4',6-PENTACHLOROBIPHENYL","38380-03-9","Clc1c(cc(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4673,792,"2,2',3,3',4,4'-HEXACHLOROBIPHENYL","38380-07-3","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"3932"]
[4674,790,"2,3,3',4,4',5-HEXACHLOROBIPHENYL","38380-08-4","Clc1c(cc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4676,752,"2,2',3,3',4,5,6'-HEPTACHLOROBIPHENYL","38411-25-5","Clc1c(c(c(c(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4677,876,"2,2',6-TRICHLOROBIPHENYL","38444-73-4","Clc1c(cccc1)-c2c(cccc2Cl)Cl","Clc1c(cccc1)-c2c(cccc2Cl)Cl","Clc1c(cccc1)-c2c(cccc2Cl)Cl","Clc1c(cccc1)-c2c(cccc2Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4679,880,"2,4',6-TRICHLOROBIPHENYL","38444-77-8","Clc1ccc(cc1)-c2c(cccc2Cl)Cl","Clc1ccc(cc1)-c2c(cccc2Cl)Cl","Clc1ccc(cc1)-c2c(cccc2Cl)Cl","Clc1ccc(cc1)-c2c(cccc2Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4680,867,"2,2',3'-TRICHLOROBIPHENYL","38444-78-9","Clc1c(cccc1)-c2c(c(ccc2)Cl)Cl","Clc1c(cccc1)-c2c(c(ccc2)Cl)Cl","Clc1c(cccc1)-c2c(c(ccc2)Cl)Cl","Clc1c(cccc1)-c2c(c(ccc2)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4682,879,"2,3,4'-TRICHLOROBIPHENYL","38444-85-8","Clc1ccc(cc1)-c2c(c(ccc2)Cl)Cl","Clc1ccc(cc1)-c2c(c(ccc2)Cl)Cl","Clc1ccc(cc1)-c2c(c(ccc2)Cl)Cl","Clc1ccc(cc1)-c2c(c(ccc2)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4683,866,"2',3,4-TRICHLOROBIPHENYL","38444-86-9","Clc1c(cc(cc1)-c2c(cccc2)Cl)Cl","Clc1c(cc(cc1)-c2c(cccc2)Cl)Cl","Clc1c(cc(cc1)-c2c(cccc2)Cl)Cl","Clc1c(cc(cc1)-c2c(cccc2)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4686,307,"8-Quinolinol, 2-methyl-5-nitro-","38543-66-7","Cc1nc2c(cc1)c([N+](=O)[O-])ccc2O",null,"Cc1nc2c(cc1)c([N+](=O)[O-])ccc2O","Cc1nc2c(cc1)c([N+](=O)[O-])ccc2O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4687,2245,"Ethane, 1,1-bis(methylsulfonyl)-","38564-69-1","CC(S(C)(=O)=O)S(C)(=O)=O","CC(S(C)(=O)=O)S(C)(=O)=O","CC(S(C)(=O)=O)S(C)(=O)=O","CC(S(C)(=O)=O)S(C)(=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4689,2478,"Alanine, N-(aminocarbonyl)-2-methyl-","38605-63-9","CC(C)(NC(N)=O)C(=O)O",null,"CC(C)(NC(N)=O)C(=O)O","CC(C)(NC(N)=O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4690,386,"2-Propenoic acid, 3-(2-ethoxyphenyl)-, (Z)-","38624-46-3","CCOc1c(cccc1)C=CC(=O)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed","4977"]
[4692,2186,"Glyphosate isopropylamine salt","38641-94-0","O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O","O=C(O)CNCP(=O)(O)O",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,"2811, 4731"]
[4693,1442,"ANTOR","38727-55-8","CCOC(=O)CN(C(=O)CCl)c1c(cccc1CC)CC","CCOC(=O)CN(C(=O)CCl)c1c(cccc1CC)CC","CCOC(=O)CN(C(=O)CCl)c1c(cccc1CC)CC","CCOC(=O)CN(C(=O)CCl)c1c(cccc1CC)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4696,3661,"2-Cyclohexene-1,2-dicarboxylic acid","38765-78-5","O=C(O)C=1C(CCCC1)C(=O)O",null,"O=C(O)C=1C(CCCC1)C(=O)O","O=C(O)C=1C(CCCC1)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4697,null,"Propanoic acid, 2-hydroxy-2-methyl-, pentyl este","38771-96-9",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4699,1434,"2,4-Pentanediol, 2-methyl-4-(1-naphthalenyl)-","38836-20-3","CC(C)(O)CC(C)(O)c1c2c(ccc1)cccc2",null,"CC(C)(O)CC(C)(O)c1c2c(ccc1)cccc2","CC(C)(O)CC(C)(O)c1c2c(ccc1)cccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4700,831,"2,8-DICHLORODIBENZO-P-DIOXIN","38964-22-6","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)cc3","Clc1cc2c(cc1)Oc3c(O2)cc(Cl)cc3",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[4702,529,"OCTACHLORODIBENZOFURAN","39001-02-0","Clc1c(c2c(c(c1Cl)Cl)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl","Clc1c(c2c(c(c1Cl)Cl)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl","Clc1c(c2c(c(c1Cl)Cl)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl","Clc1c(c2c(c(c1Cl)Cl)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4703,2049,"3-Bromo-2-iodo-acrylic acid","39121-35-2","O=C(O)C(I)=CBr",null,"O=C(O)C(I)=CBr","O=C(O)C(I)=CBr",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4705,4170,"THIOFANOX","39196-18-4","CNC(=O)ON=C(CSC)C(C)(C)C","CNC(=O)ON=C(CSC)C(C)(C)C","CNC(=O)ON=C(CSC)C(C)(C)C","CNC(=O)ON=C(CSC)C(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4706,727,"1,2,3,4,7,8-HEXACHLORODIBENZO-P-DIOXIN","39227-28-6","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl","Clc1c(cc2c(c1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4709,796,"1,2,4-TRICHLORODIBENZO-P-DIOXIN","39227-58-2","Clc1c(c2c(c(c1)Cl)Oc3c(O2)cccc3)Cl","Clc1c(c2c(c(c1)Cl)Oc3c(O2)cccc3)Cl","Clc1c(c2c(c(c1)Cl)Oc3c(O2)cccc3)Cl","Clc1c(c2c(c(c1)Cl)Oc3c(O2)cccc3)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4710,742,"1,2,3,4,7-PENTACHLORODIBENZO-P-DIOXIN","39227-61-7","Clc1cc2c(cc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl","Clc1cc2c(cc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl","Clc1cc2c(cc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl","Clc1cc2c(cc1)Oc3c(O2)c(Cl)c(Cl)c(Cl)c3Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4712,803,"2,2',4,4',6-PENTACHLOROBIPHENYL","39485-83-1","Clc1cc(c(cc1)-c2c(cc(cc2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cc(cc2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cc(cc2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(cc(cc2Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4713,1840,"CYPHENOTHRIN","39515-40-7","CC(C)=CC1C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C","CC(C)=CC1C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C","CC(C)=CC1C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C","CC(C)=CC1C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4715,3723,"Hexanoic acid, 4-ethyl-5-oxo-","39517-97-0","CCC(CCC(=O)O)C(C)=O",null,"CCC(CCC(=O)O)C(C)=O","CCC(CCC(=O)O)C(C)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4716,null,"2-Butenedioic acid, 2-methyl-, 1-methyl ester, (","39529-95-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4718,4648,"acetamide,2-cyano-n-methyl-n-(methylamino)carb","39615-79-7",null,"CNC(=O)N(C)C(=O)CC#N",null,"CNC(=O)N(C)C(=O)CC#N",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4719,759,"1,1'-Biphenyl, 2,3,3',4,4',5,5'-heptachloro-","39635-31-9","Clc1c(c(cc(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4722,4707,"1h-purine-2,6-dione,1-ethyl-3,7-dihydro-3,7-dim","39832-36-5",null,"CCn1c(n(c2c(c1=O)n(cn2)C)C)=O",null,"CCn1c(n(c2c(c1=O)n(cn2)C)C)=O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4723,null,"azinphos-ethyl,o-analog","39923-25-6",null,"CCOP(=O)(OCC)SCn1c(c2c(nn1)cccc2)=O",null,"CCOP(=O)(OCC)SCn1c(c2c(nn1)cccc2)=O",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4725,4533,"Ethyl 2-formamido-(phenylvinyl)acrylate","40078-42-0","CCOC(=O)C(=CC=Cc1ccccc1)NC=O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4726,4132,"TRIS(1,3-DICHLOROPROPYL) PHOSPHATE","40120-74-9","O=P(OC(Cl)CCCl)(OC(Cl)CCCl)OC(Cl)CCCl","O=P(OC(Cl)CCCl)(OC(Cl)CCCl)OC(Cl)CCCl",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[4728,733,"2,2',3,3',4,5',6,6'-OCTACHLOROBIPHENYL","40186-71-8","Clc1c(c(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4729,964,"2,2',3,3',4,4',5,5',6-NONACHLOROBIPHENYL","40186-72-9","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"4875"]
[4731,2186,"GLYPHOSATE-AMMONIUM","40465-66-5",null,"O=C(O)CNCP(=O)(O)O",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on PubChem, Manual Check passed","4692, 2811"]
[4732,1053,"PENDIMETHALIN","40487-42-1","CCC(CC)Nc1c(c(c(cc1[N+](=O)[O-])C)C)[N+](=O)[O-]","CCC(CC)Nc1c(c(c(cc1[N+](=O)[O-])C)C)[N+](=O)[O-]","CCC(CC)Nc1c(c(c(cc1[N+](=O)[O-])C)C)[N+](=O)[O-]",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4735,3986,"2-Pteridinamine, N,N-dimethyl-","41047-52-3","CN(C)c1nc2c(cn1)nccn2",null,"CN(C)c1nc2c(cn1)nccn2","CN(C)c1nc2c(cn1)nccn2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4736,null,"Azocyclotin","41083-11-8",null,null,"c1nn(cn1)[Sn](C2CCCCC2)(C3CCCCC3)C4CCCCC4","c1nn(cn1)[Sn](C2CCCCC2)(C3CCCCC3)C4CCCCC4",2,0,2,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[4738,424,"PROFENOFOS","41198-08-7","CCCSP(=O)(OCC)Oc1c(cc(cc1)Br)Cl","CCCSP(=O)(OCC)Oc1c(cc(cc1)Br)Cl","CCCSP(=O)(OCC)Oc1c(cc(cc1)Br)Cl","CCCSP(=O)(OCC)Oc1c(cc(cc1)Br)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4739,1527,"HYDROPRENE","41205-09-8","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","4737"]
[4741,1418,"4-Methoxy-3,3'-dimethylbenzophenone","41295-28-7","COc1c(cc(cc1)C(=O)c2cc(ccc2)C)C","COc1c(cc(cc1)C(=O)c2cc(ccc2)C)C","COc1c(cc(cc1)C(=O)c2cc(ccc2)C)C","COc1c(cc(cc1)C(=O)c2cc(ccc2)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4742,3290,"D-Mannose, (aminocarbonyl)hydrazone","41356-13-2","NC(=O)NN=CC(O)C(O)C(O)C(O)CO",null,"N=C(O)NN=CC(O)C(O)C(O)C(O)CO","N=C(O)NN=CC(O)C(O)C(O)C(O)CO",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","3799, 4350"]
[4744,838,"2,2',3,5'-TETRACHLOROBIPHENYL","41464-39-5","Clc1cc(c(cc1)Cl)-c2c(c(ccc2)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(ccc2)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(ccc2)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(ccc2)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4745,836,"2,2',4,5'-TETRACHLOROBIPHENYL","41464-40-8","Clc1cc(c(cc1)-c2c(ccc(c2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(ccc(c2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(ccc(c2)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(ccc(c2)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4748,null,"1,1'-Biphenyl, 2,2',3,6'-tetrachloro-","41464-47-5","Clc1c(c(ccc1)-c2c(cccc2Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(cccc2Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(cccc2Cl)Cl)Cl",3,1,0,"NO","YES",null,null,"Eliminate","-","Missing/ambiguous"]
[4749,824,"2,2',3',4,5-PENTACHLOROBIPHENYL","41464-51-1","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4751,1072,"BUPIRIMATE","41483-43-6","CCCCc1c(nc(nc1C)NCC)OS(=O)(=O)N(C)C","CCCCc1c(nc(nc1C)NCC)OS(=O)(=O)N(C)C","CCCCc1c(nc(nc1C)NCC)OS(=O)(=O)N(C)C","CCCCc1c(nc(nc1C)NCC)OS(=O)(=O)N(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4752,3627,"L-Proline, 1-(2-cyanoethyl)-5-oxo-","41563-94-4","N#CCCN1C(CCC1=O)C(=O)O","N#CCCN1C(CCC1=O)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem",""]
[4754,4252,"TRICYCLAZOLE","41814-78-2","Cc1c2c(ccc1)sc3n2cnn3","Cc1c2c(ccc1)sc3n2cnn3","Cc1c2c(ccc1)sc3n2cnn3","Cc1c2c(ccc1)sc3n2cnn3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4755,null,"TETRACHLORODIBENZO-P-DIOXINS","41903-57-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4758,3161,"1-METHYL-4-CARBOXY-2-PYRROLIDONE","42346-68-9","CN1C(CC(C1)C(=O)O)=O","CN1C(CC(C1)C(=O)O)=O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[4759,1793,"Diltiazem","42399-41-7","COc1ccc(cc1)C2C(C(N(c3c(S2)cccc3)CCN(C)C)=O)OC(C)=O","COc1ccc(cc1)C2C(C(N(c3c(S2)cccc3)CCN(C)C)=O)OC(C)=O","COc1ccc(cc1)C2C(C(N(c3c(S2)cccc3)CCN(C)C)=O)OC(C)=O","COc1ccc(cc1)C2C(C(N(c3c(S2)cccc3)CCN(C)C)=O)OC(C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4761,1254,"BIFENOX","42576-02-3","COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]","COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]","COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]","COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)Cl)Cl)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4762,1584,"Kinoprene","42588-37-4","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C","C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4764,1499,"methyldymron","42609-73-4","Cc1ccc(cc1)N(C)C(=O)NC(C)(C)c2ccccc2","CN(C(=O)NC(C)(C)c1ccccc1)c2ccccc2","CN(C(O)=NC(C)(C)c1ccccc1)c2ccccc2","CN(C(O)=NC(C)(C)c1ccccc1)c2ccccc2",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[4765,738,"2,2',3,3',4,4',5,6'-OCTACHLOROBIPHENYL","42740-50-1","Clc1c(c(c(c(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4767,4017,"Urea, (3-acetylphenyl)-","42865-71-4","CC(=O)c1cc(ccc1)NC(N)=O","CC(=O)c1cc(ccc1)NC(N)=O",null,"CC(=O)c1cc(ccc1)NC(N)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4768,1272,"OXYFLUORFEN","42874-03-3","CCOc1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","CCOc1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","CCOc1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","CCOc1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4771,4316,"Propanamide, 2-oxo-N-phenyl-","46114-86-7","CC(=O)C(=O)Nc1ccccc1","CC(=O)C(=O)Nc1ccccc1","CC(=O)C(=O)Nc1ccccc1","CC(=O)C(=O)Nc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4772,662,"Valeric acid, 5-(benzenesulfonyl-methyl-amino)-","46855-40-7","CN(CCCCC(=O)O)S(=O)(=O)c1ccccc1",null,"CN(CCCCC(=O)O)S(=O)(=O)c1ccccc1","CN(CCCCC(=O)O)S(=O)(=O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4774,430,"3-Pyridinecarboxylic acid, pentyl ester","49558-04-5","CCCCCOC(=O)c1cnccc1","CCCCCOC(=O)c1cnccc1","CCCCCOC(=O)c1cnccc1","CCCCCOC(=O)c1cnccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4775,3628,"Phenol, 4-(2-aminoethyl)-2-nitro-","49607-15-0","NCCc1cc(c(cc1)O)[N+](=O)[O-]",null,"NCCc1cc(c(cc1)O)[N+](=O)[O-]","NCCc1cc(c(cc1)O)[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4777,4713,"carbamicacid,(1,3-dioxo-1,3-propanediyl)bis-,","49754-15-6",null,"CCOC(=O)NC(=O)CC(=O)NC(=O)OCC",null,"CCOC(=O)NC(=O)CC(=O)NC(=O)OCC",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4778,4682,"Octanebis(thioic) acid","49861-19-0",null,null,"O=C(S)CCCCCCC(=O)S","O=C(S)CCCCCCC(=O)S",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4780,null,"ACETIC ACID, [(4-BROMOPHENYL)SULFONYL]-, METHYL","50397-65-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4781,2074,"1,2,3-THIADIAZOLE, 5-METHYL-","50406-54-7","Cc1snnc1","Cc1snnc1","Cc1snnc1","Cc1snnc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4784,4489,"ipt(isoprothiolane)","50512-35-1",null,"CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1",null,"CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4785,1041,"Dimethachlor","50563-36-5","COCCN(C(=O)CCl)c1c(cccc1C)C","COCCN(C(=O)CCl)c1c(cccc1C)C","COCCN(C(=O)CCl)c1c(cccc1C)C","COCCN(C(=O)CCl)c1c(cccc1C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4787,2034,"Terfenadine","50679-08-8","CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4","CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4","CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4","CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4788,1376,"Azacyclohexadecan-2-one","50768-64-4","O=C1NCCCCCCCCCCCCCC1",null,"OC=1CCCCCCCCCCCCCCN1","OC=1CCCCCCCCCCCCCCN1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4790,367,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-AMINO-2-OXOETHYL","50785-22-3",null,null,"CC(=O)Oc1c(cccc1)C(=O)OCC(=N)O","CC(=O)Oc1c(cccc1)C(=O)OCC(=N)O",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[4791,null,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-ETHOXY-2-OXOETHY","50785-24-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4793,4248,"Acetamide, N-(2-chlorophenyl)-2-cyano-","50982-66-6","N#CCC(=O)Nc1c(cccc1)Cl","N#CCC(=O)Nc1c(cccc1)Cl","N#CCC(=O)Nc1c(cccc1)Cl","N#CCC(=O)Nc1c(cccc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4794,4389,"BENZENEACETIC ACID, .alpha.-(ACETYLOXY)-, (R)-","51019-43-3","CC(=O)OC(C(=O)O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[4797,null,"N-<2-cyano-ethyl>-alanine","51078-47-8",null,null,"CC(NCCC#N)C(=O)O","CC(NCCC#N)C(=O)O",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4798,4680,"N-<2-cyano-ethyl>-valine","51078-49-0",{"$nulls":3},"CC(C)C(NCCC#N)C(=O)O",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[4800,3064,"3-Pyridinecarbothioic acid","51087-03-7","OC(=S)c1cnccc1",null,"O=C(S)c1cnccc1","O=C(S)c1cnccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4801,394,"1H-Pyrazol-5-amine, 3,4-dimethyl-1-phenyl-","51143-42-1","Cc1c(c(n(n1)-c2ccccc2)N)C",null,"Cc1c(c(n(n1)-c2ccccc2)N)C","Cc1c(c(n(n1)-c2ccccc2)N)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4803,764,"2,3,7,8-TETRACHLORODIBENZOFURAN","51207-31-9","Clc1c(cc2c(c1)oc3c2cc(c(c3)Cl)Cl)Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3)Cl)Cl)Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3)Cl)Cl)Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4804,1358,"METOLACHLOR","51218-45-2","CCc1c(c(ccc1)C)N(C(=O)CCl)C(C)COC","CCc1c(c(ccc1)C)N(C(=O)CCl)C(C)COC","CCc1c(c(ccc1)C)N(C(=O)CCl)C(C)COC","CCc1c(c(ccc1)C)N(C(=O)CCl)C(C)COC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4806,680,"HEXAZINONE","51235-04-2","CN(C)c1n(c(n(c(n1)=O)C2CCCCC2)=O)C","CN(C)c1n(c(n(c(n1)=O)C2CCCCC2)=O)C","CN(C)c1n(c(n(c(n1)=O)C2CCCCC2)=O)C",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4807,1598,"Buminafos","51249-05-9","CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC","CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC","CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC","CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4810,1403,"DICLOFOP-METHYL","51338-27-3","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cc2)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4811,4631,"Propanoic acid, 2-[(ethoxythioxomethyl)thio]-","51440-83-6","CCOC(=S)SC(C)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4813,164,"CIMETIDINE","51481-61-9","CN=C(NC#N)NCCSCc1c([nH]cn1)C","CN=C(NC#N)NCCSCc1c([nH]cn1)C","CNC(=NC#N)NCCSCc1c([nH]cn1)C","CNC(=NC#N)NCCSCc1c([nH]cn1)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4814,410,"Cloethocarb","51487-69-5","CNC(=O)Oc1c(cccc1)OC(CCl)OC","CNC(=O)Oc1c(cccc1)OC(CCl)OC","CNC(=O)Oc1c(cccc1)OC(CCl)OC","CNC(=O)Oc1c(cccc1)OC(CCl)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4816,2033,"milbemectina3","51596-10-2",null,"CC=1CC(C=CC=C2COC3C(C(=CC(C(OC4CC(CC1)OC5(C4)OC(C(CC5)C)C)=O)C32O)C)O)C",null,"CC=1CC(C=CC=C2COC3C(C(=CC(C(OC4CC(CC1)OC5(C4)OC(C(CC5)C)C)=O)C32O)C)O)C",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed, Name verified in PubChem",""]
[4817,2035,"Milbemectin A4","51596-11-3",null,"CCC1C(CCC2(O1)OC3CC(C2)OC(C4C=C(C(C5OCC(=CC=CC(CC(=CC3)C)C)C54O)O)C)=O)C","CCC1C(CCC2(O1)OC3CC(C2)OC(C4C=C(C(C5OCC(=CC=CC(CC(=CC3)C)C)C54O)O)C)=O)C","CCC1C(CCC2(O1)OC3CC(C2)OC(C4C=C(C(C5OCC(=CC=CC(CC(=CC3)C)C)C54O)O)C)=O)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[4819,4277,"THIDIAZURON","51707-55-2","O=C(Nc1ccccc1)Nc2snnc2","O=C(Nc1ccccc1)Nc2snnc2","O=C(Nc1ccccc1)Nc2snnc2","O=C(Nc1ccccc1)Nc2snnc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4820,null,"Bicyclo[2.2.1]heptan-2-ol, 3-amino-1,7,7-trimeth","51773-76-3",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4823,1177,"PIPEMIDIC ACID","51940-44-4","CCn1c2c(c(c(c1)C(=O)O)=O)cnc(N3CCNCC3)n2","CCn1c2c(c(c(c1)C(=O)O)=O)cnc(N3CCNCC3)n2","CCn1c2c(c(c(c1)C(=O)O)=O)cnc(N3CCNCC3)n2","CCn1c2c(c(c(c1)C(=O)O)=O)cnc(N3CCNCC3)n2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4824,null,"Urea, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl","51944-15-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4826,2287,"4(3H)-Pyrimidone","51953-17-4","O=c1[nH]cncc1","O=C1N=CN=CC1",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","3509"]
[4827,4556,"ac94,377","51971-67-6",null,"NC(=O)C1(CCCCC1)N2C(c3c(C2=O)cccc3Cl)=O",null,"NC(=O)C1(CCCCC1)N2C(c3c(C2=O)cccc3Cl)=O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4829,4717,"Heptanedioic acid, 2,6-dimethyl-, (R*,S*)-","52137-33-4","CC(CCCC(C)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[4830,1401,"2-ETHYLANTHRACENE","52251-71-5","CCc1cc2c(cc1)cc3c(cccc3)c2","CCc1cc2c(cc1)cc3c(cccc3)c2","CCc1cc2c(cc1)cc3c(cccc3)c2","CCc1cc2c(cc1)cc3c(cccc3)c2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4833,4681,"Cyclohexylmercapto-acetic acid","52363-15-2","O=C(O)CSC1CCCCC1",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4834,3159,"5-ETHYL-5-METHYL-2,4-OXAZOLIDINEDIONE","52387-52-7","CCC1(C(NC(O1)=O)=O)C","CCC1(C(NC(O1)=O)=O)C",null,"CCC1(C(NC(O1)=O)=O)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4836,1627,"Naproanilide","52570-16-8","CC(Oc1cc2c(cc1)cccc2)C(=O)Nc3ccccc3","CC(Oc1cc2c(cc1)cccc2)C(=O)Nc3ccccc3","CC(Oc1cc2c(cc1)cccc2)C(O)=Nc3ccccc3","CC(Oc1cc2c(cc1)cccc2)C(O)=Nc3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4837,1733,"PERMETHRIN","52645-53-1","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2cc(ccc2)Oc3ccccc3)C","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2cc(ccc2)Oc3ccccc3)C","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2cc(ccc2)Oc3ccccc3)C",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[4839,822,"2,2',3,3',6-PENTACHLOROBIPHENYL","52663-60-2","Clc1c(c(ccc1)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4840,797,"2,2',3,5,5'-PENTACHLOROBIPHENYL","52663-61-3","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4842,771,"2,2',3,5,5',6-HEXACHLOROBIPHENYL","52663-63-5","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4843,743,"2,2',3,3',5,6,6'-HEPTACHLOROBIPHENYL","52663-64-6","Clc1c(c(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4846,756,"2,2',3,4',5,5',6-HEPTACHLOROBIPHENYL","52663-68-0","Clc1c(cc(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4847,757,"2,2',3,4,4',5',6-Heptachlorobiphenyl","52663-69-1","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4849,754,"2,2',3,3',4,4',6-HEPTACHLOROBIPHENYL","52663-71-5","Clc1c(c(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4850,794,"2,3',4,4',5,5'-HEXACHLOROBIPHENYL","52663-72-6","Clc1c(cc(c(c1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4852,750,"2,2',3,3',4,5,5'-HEPTACHLOROBIPHENYL","52663-74-8","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4853,735,"2,2',3,3',4,5,5',6'-OCTACHLOROBIPHENYL","52663-75-9","Clc1c(c(c(c(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4855,963,"2,3,4,5,6,2',3',5',6'-PCB","52663-77-1",null,"Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4856,736,"2,2',3,3',4,4',5,6-OCTACHLOROBIPHENYL","52663-78-2","Clc1c(c(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(cc1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4859,773,"2,2',3,4,5,5'-HEXACHLOROBIPHENYL","52712-04-6","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4860,746,"2,2',3,4,5,5',6-HEPTACHLOROBIPHENYL","52712-05-7","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4862,1630,"FLAMPROP-ISOPROPYL","52756-22-6","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"4952, 5027"]
[4863,1474,"FLAMPROP-METHYL","52756-25-9","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"5026"]
[4865,1773,"DELTAMETHRIN","52918-63-5","CC1(C(C1C=C(Br)Br)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C","CC1(C(C1C=C(Br)Br)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C","CC1(C(C1C=C(Br)Br)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[4866,null,"hydrazinecarboxamide,1-(2-hydroxyhexyl)-2-[(5-n","52926-52-0",null,"CCCCC(O)CN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O",null,"CCCCC(O)CN(N=Cc1oc(cc1)[N+](=O)[O-])C(N)=O",2,0,2,"NO","NO",2,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[4868,3079,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)-","53039-86-4","CC(=O)OC1C(NC(NC1=O)=O)=O","CC(=O)OC1C(NC(NC1=O)=O)=O","CC(=O)OC1C(NC(NC1=O)=O)=O","CC(=O)OC1C(NC(NC1=O)=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4869,592,"Pyrimethanil","53112-28-0","Cc1nc(nc(c1)C)Nc2ccccc2","Cc1nc(nc(c1)C)Nc2ccccc2","Cc1nc(nc(c1)C)Nc2ccccc2","Cc1nc(nc(c1)C)Nc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4872,257,"1,2,3,5-TETRACHLORONAPHTHALENE","53555-63-8","Clc1c(c(c2c(c1)c(Cl)ccc2)Cl)Cl","Clc1c(c(c2c(c1)c(Cl)ccc2)Cl)Cl","Clc1c(c(c2c(c1)c(Cl)ccc2)Cl)Cl","Clc1c(c(c2c(c1)c(Cl)ccc2)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4873,255,"1,3,5,7-TETRACHLORONAPHTHALENE","53555-64-9","Clc1cc2c(c(c1)Cl)cc(Cl)cc2Cl","Clc1cc2c(c(c1)Cl)cc(Cl)cc2Cl","Clc1cc2c(c(c1)Cl)cc(Cl)cc2Cl","Clc1cc2c(c(c1)Cl)cc(Cl)cc2Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4875,964,"NONACHLORO-1,1'-BIPHENYL","53742-07-7","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(c(c(c1)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","4729"]
[4876,2073,"1H-Imidazole-2-sulfonic acid","53744-47-1","O=S(=O)(O)c1[nH]ccn1",null,"O=S(=O)(O)c1[nH]ccn1","O=S(=O)(O)c1[nH]ccn1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4878,4566,"24nh2pyrimidine,5(35-meo-4-oetome)benzyl","53808-87-0",null,"COCCOc1c(cc(cc1OC)Cc2c(nc(nc2)N)N)OC",null,"COCCOc1c(cc(cc1OC)Cc2c(nc(nc2)N)N)OC",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4879,null,"Butane, 1,1',1''-[methylidynetris(sulfonyl)]tris","53893-44-0",null,null,"CCCCS(=O)(=O)C(S(=O)(=O)CCCC)S(=O)(=O)CCCC","CCCCS(=O)(=O)C(S(=O)(=O)CCCC)S(=O)(=O)CCCC",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4881,4711,"2,4,6(1h,3h,5h)-pyrimidinetrione,5-butyl-5-meth","53943-60-5",null,"CCCCC1(C(NC(NC1=O)=O)=O)C",null,"CCCCC1(C(NC(NC1=O)=O)=O)C",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4882,null,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl-5-(2-","53943-61-6",null,null,"C=CCC1(C(=NC(N=C1O)=O)O)C","CC(C)CC1(C(NC(NC1=O)=O)=O)C",0,2,2,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4885,4554,"cefaclor(panoral)","53994-73-3",null,"NC(C(=O)NC1C2N(C1=O)C(C(=O)O)=C(Cl)CS2)c3ccccc3",null,"NC(C(=O)NC1C2N(C1=O)C(C(=O)O)=C(Cl)CS2)c3ccccc3",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[4886,412,"Benzamide, N-(2-amino-1,1-dimethyl-2-oxoethyl)-","54016-23-8","CC(C)(NC(=O)c1ccccc1)C(N)=O","CC(C)(NC(=O)c1ccccc1)C(N)=O","CC(C)(N=C(O)c1ccccc1)C(=N)O","CC(C)(N=C(O)c1ccccc1)C(=N)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4888,null,"6-Oxabicyclo[3.2.1]oct-2-ene-8-carboxylic acid,","54345-92-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4889,4637,"Benzenamine, 2,6-dibromo-N-nitro-","54381-71-4","O=[N+]([O-])Nc1c(cccc1Br)Br",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4891,null,"4-methyl-trans-crotonic acid nitrile","54496-86-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4892,706,"Pentanamide, N,N'-1,2-ethanediylbis-","54535-60-3","CCCCC(=O)NCCNC(=O)CCCC","CCCCC(=O)NCCNC(=O)CCCC","CCCCC(=O)NCCNC(=O)CCCC","CCCCC(=O)NCCNC(=O)CCCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4895,3748,"D-Alloisoleucine, N-acetyl-","54831-20-8","CCC(C)C(NC(C)=O)C(=O)O",null,"CCC(C)C(N=C(C)O)C(=O)O","CCC(C)C(N=C(C)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","4238, 4252, 4567"]
[4896,3574,"1,3-Benzenediol, 5-(methylthio)-","54839-91-7","CSc1cc(cc(c1)O)O",null,"CSc1cc(cc(c1)O)O","CSc1cc(cc(c1)O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4898,3746,"D-Norleucine, N-acetyl-","54896-21-8","CCCCC(NC(C)=O)C(=O)O","CCCCC(NC(C)=O)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed, Checked on PubChem","3870"]
[4899,1700,"BITERTANOL","55179-31-2","CC(C)(C)C(O)C(Oc1ccc(cc1)-c2ccccc2)n3ncnc3","CC(C)(C)C(O)C(Oc1ccc(cc1)-c2ccccc2)n3ncnc3","CC(C)(C)C(O)C(Oc1ccc(cc1)-c2ccccc2)n3ncnc3","CC(C)(C)C(O)C(Oc1ccc(cc1)-c2ccccc2)n3ncnc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4901,791,"2,2',3,3',4,5-HEXACHLOROBIPHENYL","55215-18-4","Clc1c(c(ccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4902,1182,"TRIADIMENOL","55219-65-3","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"5276, 5339"]
[4904,1648,"Praziquantel","55268-74-1","O=C(C1CCCCC1)N2CC3N(C(C2)=O)CCc4c3cccc4","O=C(C1CCCCC1)N2CC3N(C(C2)=O)CCc4c3cccc4","O=C(C1CCCCC1)N2CC3N(C(C2)=O)CCc4c3cccc4","O=C(C1CCCCC1)N2CC3N(C(C2)=O)CCc4c3cccc4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4905,1012,"ETHALFLURALIN","55283-68-6","C=C(C)CN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","C=C(C)CN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","C=C(C)CN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","C=C(C)CN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4908,827,"2,2',3,4,5-PENTACHLOROBIPHENYL","55312-69-1","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4909,3841,"Phosphoric acid, ethyl dipropyl ester","55312-81-7","CCCOP(=O)(OCC)OCCC",null,"CCCOP(=O)(OCC)OCCC","CCCOP(=O)(OCC)OCCC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4911,3360,"TRICLOPYR","55335-06-3","O=C(O)COc1c(cc(c(n1)Cl)Cl)Cl","O=C(O)COc1c(cc(c(n1)Cl)Cl)Cl","O=C(O)COc1c(cc(c(n1)Cl)Cl)Cl","O=C(O)COc1c(cc(c(n1)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4912,161,"BUTHIDAZOLE","55511-98-3","CN1C(N(C(C1)O)c2sc(nn2)C(C)(C)C)=O","CN1C(N(C(C1)O)c2sc(nn2)C(C)(C)C)=O","CN1C(N(C(C1)O)c2sc(nn2)C(C)(C)C)=O","CN1C(N(C(C1)O)c2sc(nn2)C(C)(C)C)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4914,914,"3,4-Dichlorodiphenyl ether","55538-69-7",null,"Clc1c(cc(cc1)Oc2ccccc2)Cl","Clc1c(cc(cc1)Oc2ccccc2)Cl","Clc1c(cc(cc1)Oc2ccccc2)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4915,null,"L-Mannitol, 6-deoxy-1,3:2,5-di-O-methylene-","55645-89-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4917,869,"2,3,4-TRICHLORO-1,1'-BIPHENYL","55702-46-0","Clc1c(c(c(cc1)-c2ccccc2)Cl)Cl","Clc1c(c(c(cc1)-c2ccccc2)Cl)Cl","Clc1c(c(c(cc1)-c2ccccc2)Cl)Cl","Clc1c(c(c(cc1)-c2ccccc2)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4918,4639,"Benzenamine, N,2-dinitro-","55704-91-1","O=[N+]([O-])Nc1c(cccc1)[N+](=O)[O-]",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4921,256,"1,4,6,7-TETRACHLORONAPHTHALENE","55720-43-9","Clc1c(cc2c(c1)c(Cl)ccc2Cl)Cl","Clc1c(cc2c(c1)c(Cl)ccc2Cl)Cl","Clc1c(cc2c(c1)c(Cl)ccc2Cl)Cl","Clc1c(cc2c(c1)c(Cl)ccc2Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4922,4388,"3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-phenyl-","55774-20-4","Cc1[nH]n(c(c1)=O)-c2ccccc2",null,"Cc1[nH]n(c(c1)=O)-c2ccccc2",null,2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on ChemID, Checked on PubChem, Manual Check passed",""]
[4924,177,"ISOURON","55861-78-4","CN(C)C(=O)Nc1noc(c1)C(C)(C)C","CN(C)C(=O)Nc1noc(c1)C(C)(C)C","CN(C)C(=O)Nc1noc(c1)C(C)(C)C","CN(C)C(=O)Nc1noc(c1)C(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4925,1809,"SUFENTANIL","56030-54-7","CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3sccc3)COC","CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3sccc3)COC","CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3sccc3)COC","CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3sccc3)COC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4927,4219,"TERBUFOS SULFONE","56070-16-7","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C","CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4928,3807,"2-Heptanol, 4-methyl-","56298-90-9","CCCC(C)CC(C)O","CCCC(C)CC(C)O","CCCC(C)CC(C)O","CCCC(C)CC(C)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4930,1310,"FLURPRIMIDOL","56425-91-3","CC(C)C(O)(c1ccc(cc1)OC(F)(F)F)c2cncnc2","CC(C)C(O)(c1ccc(cc1)OC(F)(F)F)c2cncnc2","CC(C)C(O)(c1ccc(cc1)OC(F)(F)F)c2cncnc2","CC(C)C(O)(c1ccc(cc1)OC(F)(F)F)c2cncnc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4931,4281,"Benzenepropanal, .alpha.-oxo-","56485-04-2","O=CC(=O)Cc1ccccc1","O=CC(=O)Cc1ccccc1",null,"O=CC(=O)Cc1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4934,810,"1,1'-Biphenyl, 2,3',4,5',6-pentachloro-","56558-18-0","Clc1cc(cc(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(cc(cc2Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4935,515,"1(2H)-PYRIMIDINECARBOXAMIDE, 5-FLUORO-3,4-DICHLO","56563-17-8",null,"O=C(Nc1ccccc1)n2c([nH]c(c(c2)F)=O)=O","O=c1n(cc(c(n1)O)F)C(O)=Nc2ccccc2","O=c1n(cc(c(n1)O)F)C(O)=Nc2ccccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4937,null,"T-BUTYLPHENYL DIPHENYL PHOSPHATE","56803-37-3","CC(C)(C)c1c(cccc1)OP(=O)(Oc2ccccc2)Oc3ccccc3","CC(C)(C)c1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3ccccc3",null,"*C(C)(C)C",0,2,2,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4938,4055,"TOLCLOFOS-METHYL","57018-04-9","COP(=S)(OC)Oc1c(cc(cc1Cl)C)Cl","COP(=S)(OC)Oc1c(cc(cc1Cl)C)Cl","COP(=S)(OC)Oc1c(cc(cc1Cl)C)Cl","COP(=S)(OC)Oc1c(cc(cc1Cl)C)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4940,3394,"3,4,5-TRICHLORO-2-METHOXYPHENOL","57057-83-7","COc1c(c(c(cc1O)Cl)Cl)Cl","COc1c(c(c(cc1O)Cl)Cl)Cl","COc1c(c(c(cc1O)Cl)Cl)Cl","COc1c(c(c(cc1O)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4941,741,"2,3,4,7,8-PENTACHLORODIBENZOFURAN","57117-31-4","Clc1c(cc2c(c1)oc3c2cc(c(c3Cl)Cl)Cl)Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3Cl)Cl)Cl)Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3Cl)Cl)Cl)Cl","Clc1c(cc2c(c1)oc3c2cc(c(c3Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4943,2374,"Butanoic acid, 4-amino-2-hydroxy-4-oxo-, (S)-","57229-74-0","NC(=O)CC(O)C(=O)O",null,null,"NC(=O)CC(O)C(=O)O",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed, Checked on PubChem","5065, 5278"]
[4944,3920,"1(3H)-Isobenzofuranone, 6-amino-","57319-65-0","Nc1cc2c(cc1)COC2=O","Nc1cc2c(cc1)COC2=O","Nc1cc2c(cc1)COC2=O","Nc1cc2c(cc1)COC2=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4947,4596,"Fluotrimazole","57381-79-0","FC(F)(F)c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4ncnc4",null,"FC(F)(F)c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4ncnc4",null,2,0,2,"NO","NO",4,0,"Maintain","High Reliability","Checked on PubChem, Manual Check passed",""]
[4948,628,"ACETAMIDE, N-[2-(BENZOYLOXY)ETHYL]-N-METHYL-","57440-16-1","CC(=O)N(C)CCOC(=O)c1ccccc1",null,"CC(=O)N(C)CCOC(=O)c1ccccc1","CC(=O)N(C)CCOC(=O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4950,1355,"METALAXYL","57837-19-1","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"5146"]
[4951,3177,"Cymoxanil","57966-95-7","CCNC(=O)NC(=O)C(C#N)=NOC","CCNC(=O)NC(=O)C(C#N)=NOC","CCNC(=O)NC(=O)C(C#N)=NOC","CCNC(=O)NC(=O)C(C#N)=NOC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4953,1155,"Benzenamine, 4-methyl-2-[(4-methylphenyl)azo]-","58010-91-6","Cc1ccc(cc1)N=Nc2c(ccc(c2)C)N","Cc1ccc(cc1)N=Nc2c(ccc(c2)C)N",null,"Cc1ccc(cc1)N=Nc2c(ccc(c2)C)N",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[4954,1618,"pyrazolate","58011-68-0","O=C(O)c1n[nH]cc1","Cc1ccc(cc1)S(=O)(=O)Oc2n(nc(c2C(=O)c3c(cc(cc3)Cl)Cl)C)C","Cc1ccc(cc1)S(=O)(=O)Oc2n(nc(c2C(=O)c3c(cc(cc3)Cl)Cl)C)C","Cc1ccc(cc1)S(=O)(=O)Oc2n(nc(c2C(=O)c3c(cc(cc3)Cl)Cl)C)C",3,1,0,"NO","NO",null,null,"Mantain","High Reliability","Name verified in PubChem",""]
[4957,null,"Butanedioic acid, (1-phenylethylidene)-, (Z)","58266-39-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4958,4263,"1(3H)-Isobenzofuranone, 3-methyl-6-nitro-","58335-58-3","CC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2",null,"CC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2","CC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4960,2975,"Benzenesulfonic acid, 3-amino-2,4,6-tribromo-","58585-89-0","Nc1c(c(c(cc1Br)Br)S(=O)(=O)O)Br",null,"Nc1c(c(c(cc1Br)Br)S(=O)(=O)O)Br","Nc1c(c(c(cc1Br)Br)S(=O)(=O)O)Br",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4961,1393,"FLAMPROP","58667-63-3","CC(C(=O)O)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","CC(C(=O)O)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","CC(C(=O)O)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","CC(C(=O)O)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4963,4169,"Hexanamide, N-(aminocarbonyl)-2-ethyl-","58850-93-4","CCCCC(CC)C(=O)NC(N)=O","CCCCC(CC)C(=O)NC(N)=O","CCCCC(CC)C(=O)NC(N)=O","CCCCC(CC)C(=O)NC(N)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4964,null,"Benzenesulfonamide, 4-amino-N-(1-methyl-2(1H)-py","58944-05-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4966,4667,"1H-Imidazole-4,5-dicarboxylic acid, 2-ethyl-","58954-22-6","CCc1[nH]c(c(n1)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4967,3631,"1H-Imidazole-4,5-dicarboxylic acid, 2-propyl-","58954-23-7","CCCc1[nH]c(c(n1)C(=O)O)C(=O)O",null,"CCCc1[nH]c(c(n1)C(=O)O)C(=O)O","CCCc1[nH]c(c(n1)C(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4970,2581,"Phosphoric acid, dimethyl propyl ester","59259-32-4","CCCOP(=O)(OC)OC",null,"CCCOP(=O)(OC)OC","CCCOP(=O)(OC)OC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4971,3684,"ACYCLOVIR","59277-89-3","Nc1[nH]c2c(c(n1)=O)ncn2COCCO","Nc1[nH]c2c(c(n1)=O)ncn2COCCO","Nc1[nH]c(c2c(n1)n(cn2)COCCO)=O","Nc1[nH]c(c2c(n1)n(cn2)COCCO)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4973,3209,"5-Methyl-hex-3-enoic acid","59320-76-2","CC(C)C=CCC(=O)O",null,"CC(C)C=CCC(=O)O","CC(C)C=CCC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4974,185,"THIODICARB","59669-26-0","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC","CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4976,3189,"1-METHYL-4-METHOXYCARBONYL-2-PYRROLIDONE","59857-86-2","COC(=O)C1CN(C(C1)=O)C","COC(=O)C1CN(C(C1)=O)C",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[4977,386,"2-Propenoic acid, 3-(2-ethoxyphenyl)-, (E)-","59923-03-4","CCOc1c(cccc1)C=CC(=O)O","CCOc1c(cccc1)C=CC(=O)O",null,"CCOc1c(cccc1)C=CC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","4690"]
[4979,769,"1,1'-Biphenyl, 2,2',4,4',5,6'-hexachloro-","60145-22-4","Clc1cc(c(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4980,751,"1,1'-Biphenyl, 2,2',3,4,4',5,6'-heptachloro-","60145-23-5","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(c(c(c2)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4983,1512,"Iopamidol","60166-93-0","CC(O)C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I","CC(O)C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I","CC(O)C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I","CC(O)C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[4984,1465,"FENARIMOL","60168-88-9","OC(c1ccc(cc1)Cl)(c2cncnc2)c3c(cccc3)Cl","OC(c1ccc(cc1)Cl)(c2cncnc2)c3c(cccc3)Cl","OC(c1ccc(cc1)Cl)(c2cncnc2)c3c(cccc3)Cl","OC(c1ccc(cc1)Cl)(c2cncnc2)c3c(cccc3)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4986,1324,"PROPICONAZOLE","60207-90-1","CCCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl","CCCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl","CCCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl","CCCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4987,null,"1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-","60207-93-4",null,"CCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl",null,"CCC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Cl)Cl",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[4989,807,"1,1'-Biphenyl, 2,2',3,4',6'-pentachloro-","60233-25-2","Clc1cc(c(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(ccc2)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[4990,null,"Phosphorothioic acid, O-(dichloro(methylthio)phe","60238-56-4",null,"CCOP(=S)(OCC)Oc1cc(c(c(c1)Cl)Cl)SC",null,null,1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[4992,76,"Benzeneacetic acid, .alpha.-(ethylthio)-","60340-41-2","CCSC(C(=O)O)c1ccccc1",null,"CCSC(C(=O)O)c1ccccc1","CCSC(C(=O)O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[4993,4652,"Heptanoic acid, 2,4-dioxo-","60415-20-5","CCCC(=O)CC(=O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[4996,null,"Butanoic acid, 4-amino-2,3-dihydroxy-4-oxo-, [R-","60574-00-7",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[4997,2072,"1H-Imidazole-4-sulfonic acid","60634-74-4","O=S(=O)(O)c1nc[nH]c1",null,null,"O=S(=O)(O)c1[nH]cnc1",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[4999,4656,"Glycine, N-[N-(2-bromo-1-oxopropyl)glycyl]-, (.+","60662-64-8",null,"CC(Br)C(=O)NCC(=O)NCC(=O)O",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5000,4524,"barbituricacid,5-et,5-heptyl","60784-70-5",null,"CCCCCCCC1(C(NC(NC1=O)=O)=O)CC",null,"CCCCCCCC1(C(NC(NC1=O)=O)=O)CC",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5002,533,"FLUROCHLORIDONE","61213-25-0","O=C1N(CC(C1Cl)CCl)c2cc(ccc2)C(F)(F)F","O=C1N(CC(C1Cl)CCl)c2cc(ccc2)C(F)(F)F","O=C1N(CC(C1Cl)CCl)c2cc(ccc2)C(F)(F)F","O=C1N(CC(C1Cl)CCl)c2cc(ccc2)C(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5003,1943,"Thiourea, cyano-","61296-28-4","N#CNC(N)=S",null,"N#CNC(=N)S","N#CNC(=N)S",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5005,3223,"Propanoic acid, 2-(1-oxopropoxy)-, methyl ester","61402-72-0","CCC(=O)OC(C)C(=O)OC",null,"CCC(=O)OC(C)C(=O)OC","CCC(=O)OC(C)C(=O)OC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5006,1356,"Dimepiperate","61432-55-1","CC(C)(SC(=O)N1CCCCC1)c2ccccc2","CC(C)(SC(=O)N1CCCCC1)c2ccccc2","CC(C)(SC(=O)N1CCCCC1)c2ccccc2","CC(C)(SC(=O)N1CCCCC1)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5009,2549,"Carbamimidothioic acid, trimethyl-, methyl ester","61713-37-9","CN=C(SC)N(C)C",null,null,"CN=C(SC)N(C)C",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed, Checked on PubChem",""]
[5010,786,"2,2',3,3',4,6-HEXACHLOROBIPHENYL","61798-70-7","Clc1c(c(ccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(ccc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5012,343,"1,3,6-Naphthalenetrisulfonic acid, 4-amino-","61986-93-4","Nc1c2c(c(cc1S(=O)(=O)O)S(=O)(=O)O)ccc(S(=O)(=O)O)c2",null,"Nc1c2c(c(cc1S(=O)(=O)O)S(=O)(=O)O)ccc(S(=O)(=O)O)c2","Nc1c2c(c(cc1S(=O)(=O)O)S(=O)(=O)O)ccc(S(=O)(=O)O)c2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5013,4724,"Benzenemethanol, 2,3(or 3,4)-dichloro-, methyl c","62046-37-1",null,"CNC(=O)OCc1c(c(ccc1)Cl)Cl",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on ChemID, Manual Check passed",""]
[5015,3238,"Methacrifos","62610-77-9","COC(=O)C(C)=COP(=S)(OC)OC","COC(=O)C(C)=COP(=S)(OC)OC","COC(=O)C(C)=COP(=S)(OC)OC","COC(=O)C(C)=COP(=S)(OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","4515"]
[5016,445,"Urea, N-butyl-N-phenyl","62641-29-6",null,"CCCCN(C(N)=O)c1ccccc1","CCCCN(C(=N)O)c1ccccc1","CCCCN(C(=N)O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5018,1058,"FENOTHIOCARB","62850-32-2","CN(C)C(=O)SCCCCOc1ccccc1","CN(C)C(=O)SCCCCOc1ccccc1","CN(C)C(=O)SCCCCOc1ccccc1","CN(C)C(=O)SCCCCOc1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5019,513,"Diclomezine","62865-36-5","Cc1c(cc(cc1Cl)-c2n[nH]c(cc2)=O)Cl","Cc1c(cc(cc1Cl)-c2n[nH]c(cc2)=O)Cl","Cc1c(cc(cc1Cl)-c2nnc(cc2)O)Cl","Cc1c(cc(cc1Cl)-c2nnc(cc2)O)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5022,4420,"benzeneacetonitrile,alpha-((cyanomethoxy)imino)","63278-33-1",null,"N#CCON=C(C#N)c1ccccc1",null,"N#CCON=C(C#N)c1ccccc1",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[5023,null,"5-pyrimidinemethanol,.alpha.-(2-chlorophenyl)-.","63284-71-9",null,"OC(c1ccc(cc1)F)(c2cncnc2)c3c(cccc3)Cl",null,"OC(c1ccc(cc1)F)(c2cncnc2)c3c(cccc3)Cl",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[5025,3758,"Pentanamide, 2-bromo-2-propyl-","63718-48-9","CCCC(Br)(CCC)C(N)=O",null,"CCCC(Br)(CCC)C(=N)O","CCCC(Br)(CCC)C(=N)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5026,1474,"Flamprop-M-methyl","63729-98-6","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl","COC(=O)C(C)N(C(=O)c1ccccc1)c2cc(c(cc2)F)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","4863"]
[5028,1560,"DIOFENOLAN","63837-33-2","CCC1OC(CO1)COc2ccc(cc2)Oc3ccccc3","CCC1OC(CO1)COc2ccc(cc2)Oc3ccccc3","CCC1OC(CO1)COc2ccc(cc2)Oc3ccccc3","CCC1OC(CO1)COc2ccc(cc2)Oc3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5029,4406,"1h-purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-","63906-63-8",null,"CCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",null,"CCCn1c(n(c2c(c1=O)n(cn2)C)C)=O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5032,4563,"1-Piperazinecarboxylic acid, 4,4'-methylenebis-,","63981-46-4",null,"CCOC(=O)N1CCN(CC1)CN2CCN(CC2)C(=O)OCC",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5033,4436,"1(1H)-ISOBENZOFURANONE-3-I-PROPYL","64002-57-9",{"$nulls":3},"CC(C)C1c2c(C(O1)=O)cccc2",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5035,1050,"ANILOFOS","64249-01-0","COP(=S)(OC)SCC(=O)N(c1ccc(cc1)Cl)C(C)C","COP(=S)(OC)SCC(=O)N(c1ccc(cc1)Cl)C(C)C","COP(=S)(OC)SCC(=O)N(c1ccc(cc1)Cl)C(C)C","COP(=S)(OC)SCC(=O)N(c1ccc(cc1)Cl)C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5036,1786,"Fenpropathrin","64257-84-7","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)(C)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"4714"]
[5038,4147,"Ethiozin","64529-56-2","CCSc1n(c(c(nn1)C(C)(C)C)=O)N","CCSc1n(c(c(nn1)C(C)(C)C)=O)N","CCSc1n(c(c(nn1)C(C)(C)C)=O)N","CCSc1n(c(c(nn1)C(C)(C)C)=O)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5039,1265,"Triflumuron","64628-44-0","O=C(NC(=O)c1c(cccc1)Cl)Nc2ccc(cc2)OC(F)(F)F","O=C(NC(=O)c1c(cccc1)Cl)Nc2ccc(cc2)OC(F)(F)F","O=C(NC(=O)c1c(cccc1)Cl)Nc2ccc(cc2)OC(F)(F)F","O=C(NC(=O)c1c(cccc1)Cl)Nc2ccc(cc2)OC(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5041,4317,"ACETAMIDE, 2-(BENZOYLOXY)-","64649-43-0","NC(=O)COC(=O)c1ccccc1",null,"NC(=O)COC(=O)c1ccccc1","NC(=O)COC(=O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5042,401,"ACETAMIDE, 2-(BENZOYLOXY)-N-ETHYL-","64649-57-6","CCNC(=O)COC(=O)c1ccccc1",null,"CCNC(=O)COC(=O)c1ccccc1","CCNC(=O)COC(=O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5045,4617,"DL-Alanine, N-ethyl-","64991-30-6","CCNC(C)C(=O)O",null,null,"CCNC(C)C(=O)O",2,0,2,"NO","NO",4,0,"Maintain","High Reliability","Stereochemistry removed, Manual Check passed",""]
[5046,null,"7H-Purine-7-carboxylic acid, 1,2,3,6-tetrahydro-","65029-15-4","O=C(O)n1c2c(nc1)NCNC2",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5048,null,"Spiro[benzofuran-2(3H), 1'-[2]cyclohexene]-3,4'-","65267-24-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5049,null,"Spiro[benzofuran-2(3H), 1'-[3]cyclohexene]-2',3-","65267-25-6",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5051,null,"Spiro[benzofuran-2(3H), 1'-[3]cyclohexene]-2',3-","65267-27-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5052,null,"2,4(1h,3h)-pyrimidinedione,5-aminodihydro-1,3-d","65413-42-5",null,"CN1C(N(C(C(C1=O)N)=S)C)=O",null,"CN1C(N(C(C(C1=O)N)=S)C)=O",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[5054,3029,"4(1H)-Pteridinethione","65882-61-3","S=c1c2c([nH]cn1)nccn2",null,"S=c1c2c([nH]cn1)nccn2","S=c1c2c([nH]cn1)nccn2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5055,1576,"FURATHIOCARB","65907-30-4","CCCCOC(=O)N(C)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C","CCCCOC(=O)N(C)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C","CCCCOC(=O)N(C)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C","CCCCOC(=O)N(C)SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5058,1635,"PENCYCURON","66063-05-6","O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3","O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3","O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3","O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5059,1860,"ESFENVALERATE","66230-04-4","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","4818"]
[5061,4653,"2-Butenedioic acid, 2-methyl-, 4-ethyl ester, (E","66261-38-9",{"$nulls":3},"C=C(CC(=O)O)C(=O)OCC",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed","5344"]
[5062,4073,"Glycine, N-(2-furanylcarbonyl)-, ethyl ester","66318-15-8","CCOC(=O)CNC(=O)c1occc1",null,"CCOC(=O)CNC(=O)c1occc1","CCOC(=O)CNC(=O)c1occc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5064,null,"Benzoic acid, 4-(2,4-diaminophenylazo)-, methyl","66371-02-6",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5065,2374,"Butanoic acid, 4-amino-2-hydroxy-4-oxo-","66398-52-5","NC(=O)CC(O)C(=O)O","NC(=O)CC(O)C(=O)O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem","4943, 5278"]
[5067,887,"3,3',4-Trichlorodiphenyl ether","66794-60-3",null,"Clc1cc(ccc1)Oc2cc(c(cc2)Cl)Cl","Clc1cc(ccc1)Oc2cc(c(cc2)Cl)Cl","Clc1cc(ccc1)Oc2cc(c(cc2)Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5068,1774,"TRALOMETHRIN","66841-25-6","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C(Br)C(Br)(Br)Br)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C(Br)C(Br)(Br)Br)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C(Br)C(Br)(Br)Br)C","CC1(C(C1C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C(Br)C(Br)(Br)Br)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5071,4077,"Methasulfocarb","66952-49-6","CNC(=O)Sc1ccc(cc1)OS(C)(=O)=O","CNC(=O)Sc1ccc(cc1)OS(C)(=O)=O","CN=C(O)Sc1ccc(cc1)OS(C)(=O)=O","CN=C(O)Sc1ccc(cc1)OS(C)(=O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5072,3604,"Cyclopentanecarbonitrile, 1-methyl-2-oxo-","66984-18-7","CC1(C(CCC1)=O)C#N",null,"CC1(C(CCC1)=O)C#N","CC1(C(CCC1)=O)C#N",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5074,null,"2,4,6(1h,3h,5h)-pyrimidinetrione,5-methyl-5-(3-","67051-30-3",null,"CC(C)CCC1(C(NC(NC1=O)=O)=O)C",null,"CC(C)CCC1(C(NC(NC1=O)=O)=O)C",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[5075,1161,"Metazachlor","67129-08-2","Cc1c(c(ccc1)C)N(Cn2nccc2)C(=O)CCl","Cc1c(c(ccc1)C)N(Cn2nccc2)C(=O)CCl","Cc1c(c(ccc1)C)N(Cn2nccc2)C(=O)CCl","Cc1c(c(ccc1)C)N(Cn2nccc2)C(=O)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5077,null,"Benzenepropanoic acid, .beta.-[(carboxymethyl)th","67242-91-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5078,null,"1,2-Benzisothiazole, 2,3-dihydro-2-methyl-, 1,1-","67299-16-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5080,4700,"Glycine, N-[(2-methyl-5-nitrophenyl)sulfonyl]-","67320-39-2","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)NCC(=O)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5081,null,"L-Alanine, N-[(2-methyl-5-nitrophenyl)sulfonyl]-","67320-40-5","Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)NC(C)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[5084,960,"DIBENZOFURAN, 1,2,3,4,6,7,8-HEPTACHLORO-","67562-39-4","Clc1c(c(c2c(c1)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl","Clc1c(c(c2c(c1)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl","Clc1c(c(c2c(c1)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl","Clc1c(c(c2c(c1)c3c(o2)c(Cl)c(Cl)c(Cl)c3Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5085,1720,"Fenpropimorph","67564-91-4","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C","CC(Cc1ccc(cc1)C(C)(C)C)CN2CC(OC(C2)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","5079"]
[5087,1314,"PROCHLORAZ","67747-09-5","CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2cncc2","CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2cncc2","CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2cncc2","CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2cncc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5088,1525,"BENZENE, C10-13-ALKYL DERIVS.","67774-74-7","CCCCCCCCCCCc1ccccc1","CCCCCCCCCCCc1ccccc1",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[5090,4493,"ethanamine,n-(2,2-diethoxyethyl)-2,2-diethoxy-n","67856-67-1",null,"CCOC(CN(CC(OCC)OCC)N=O)OCC",null,"CCOC(CN(CC(OCC)OCC)N=O)OCC",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5091,719,"Ethanamine, N-(2,2-diethoxyethyl)-2,2-diethoxy-","67856-69-3","CCOC(CNCC(OCC)OCC)OCC","CCOC(CNCC(OCC)OCC)OCC","CCOC(CNCC(OCC)OCC)OCC","CCOC(CNCC(OCC)OCC)OCC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5094,3887,"1,7-Naphthyridin-8(7H)-one","67967-11-7","O=c1c2c(cc[nH]1)cccn2",null,"O=c1c2c(cc[nH]1)cccn2","O=c1c2c(cc[nH]1)cccn2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5095,1293,"AZAFENIDIN","68049-83-2","C#CCOc1c(cc(c(c1)-n2c(n3c(n2)CCCC3)=O)Cl)Cl","C#CCOc1c(cc(c(c1)-n2c(n3c(n2)CCCC3)=O)Cl)Cl","C#CCOc1c(cc(c(c1)-n2c(n3c(n2)CCCC3)=O)Cl)Cl","C#CCOc1c(cc(c(c1)-n2c(n3c(n2)CCCC3)=O)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5097,1693,"AZO DYE RA","68133-69-7",null,"CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2sc3c(n2)ccc([N+](=O)[O-])c3","CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2sc3c(n2)ccc([N+](=O)[O-])c3","CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc2sc3c(n2)ccc([N+](=O)[O-])c3",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5098,536,"Forchlorfenuron","68157-60-8","O=C(Nc1ccccc1)Nc2cc(ncc2)Cl","O=C(Nc1ccccc1)Nc2cc(ncc2)Cl","O=C(Nc1ccccc1)Nc2cc(ncc2)Cl","O=C(Nc1ccccc1)Nc2cc(ncc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5100,799,"2,2',3,4',6-PENTACHLOROBIPHENYL","68194-05-8","Clc1cc(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(ccc2Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5101,801,"1,1'-Biphenyl, 2,2',3,4',5-pentachloro-","68194-07-0","Clc1cc(c(cc1)-c2c(c(cc(c2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(cc(c2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(cc(c2)Cl)Cl)Cl)Cl","Clc1cc(c(cc1)-c2c(c(cc(c2)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5103,815,"1,1'-Biphenyl, 2,3,4',5,6-pentachloro-","68194-11-6","Clc1ccc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5104,811,"2,3',4,5,5'-PENTACHLOROBIPHENYL","68194-12-7","Clc1cc(cc(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(cc(c(c2)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5107,731,"2,2',3,3',4,5,5',6-OCTACHLOROBIPHENYL","68194-17-2","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5108,4412,"proglinazineethyl","68228-18-2",null,"CCOC(=O)CNc1nc(nc(n1)Cl)NC(C)C",null,"CCOC(=O)CNc1nc(nc(n1)Cl)NC(C)C",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5110,1771,"CYFLUTHRIN","68359-37-5","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(c(cc2)F)Oc3ccccc3)C","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(c(cc2)F)Oc3ccccc3)C","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(c(cc2)F)Oc3ccccc3)C","CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(c(cc2)F)Oc3ccccc3)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5111,656,"BENFURESATE","68505-69-1","CCS(=O)(=O)Oc1cc2c(cc1)OCC2(C)C","CCS(=O)(=O)Oc1cc2c(cc1)OCC2(C)C","CCS(=O)(=O)Oc1cc2c(cc1)OCC2(C)C","CCS(=O)(=O)Oc1cc2c(cc1)OCC2(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5113,4431,"ACETAMIDE, N-ACETYL-2-(BENZOYLOXY)-","68659-48-3","CC(=O)NC(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5114,1305,"TRIFLUMIZOLE","68694-11-1","CCCOCC(=Nc1c(cc(cc1)Cl)C(F)(F)F)n2cncc2","CCCOCC(=Nc1c(cc(cc1)Cl)C(F)(F)F)n2cncc2","CCCOCC(=Nc1c(cc(cc1)Cl)C(F)(F)F)n2cncc2","CCCOCC(=Nc1c(cc(cc1)Cl)C(F)(F)F)n2cncc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5116,null,"Benzoic acid anilide, 2-ethoxy-N-hydroxy","69079-96-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5117,1449,"Buprofezin","69327-76-0","CC(C)N1C(SCN(C1=O)c2ccccc2)=NC(C)(C)C","CC(C)N1C(SCN(C1=O)c2ccccc2)=NC(C)(C)C","CC(C)N1C(SCN(C1=O)c2ccccc2)=NC(C)(C)C","CC(C)N1C(SCN(C1=O)c2ccccc2)=NC(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5120,1870,"FLUVALINATE","69409-94-5","CC(C)C(Nc1c(cc(cc1)C(F)(F)F)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3","CC(C)C(Nc1c(cc(cc1)C(F)(F)F)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3","CC(C)C(Nc1c(cc(cc1)C(F)(F)F)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3","CC(C)C(Nc1c(cc(cc1)C(F)(F)F)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5121,1928,"Ethanol, 2-bromo-2,2-dichloro-","69497-24-1","OCC(Cl)(Cl)Br",null,"OCC(Cl)(Cl)Br","OCC(Cl)(Cl)Br",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5123,3704,"2,2,4-Pentanetricarboxylic acid","69646-36-2","CC(CC(C)(C(=O)O)C(=O)O)C(=O)O",null,"CC(CC(C)(C(=O)O)C(=O)O)C(=O)O","CC(CC(C)(C(=O)O)C(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5124,4683,"Cyclohexanecarboxylic acid, 1-hydroxy-2-methyl-","69687-19-0","CC1C(CCCC1)(O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5126,2585,"2-Furancarboxylic acid, 3,4-dichloro-","69727-40-8","O=C(O)c1c(c(co1)Cl)Cl","O=C(O)c1c(c(co1)Cl)Cl","O=C(O)c1c(c(co1)Cl)Cl","O=C(O)c1c(c(co1)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5127,4638,"Benzenamine, 2,4-dichloro-N-nitro-","69732-99-6","O=[N+]([O-])Nc1c(cc(cc1)Cl)Cl",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5129,1273,"HALOXYFOP","69806-34-4","CC(Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl)C(=O)O","CC(Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl)C(=O)O","CC(Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl)C(=O)O","CC(Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[5130,1392,"HALOXYFOP-METHYL","69806-40-2","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl","COC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5133,null,"benzoicacid,2-[4,5-dihydro-4-methyl-4-(1-methy","69969-62-6",null,"COC(=O)c1c(ccc(c1)C)C=2NC(C(N2)(C)C(C)C)=O",null,"COC(=O)c1c(ccc(c1)C)C=2NC(C(N2)=O)(C)C(C)C",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[5134,1871,"FLUCYTHRINATE","70124-77-5","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)F","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)F","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)F","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5136,null,"L-Cysteine, N-acetyl-S-(2-chlorophenyl)-","70278-03-4","CC(=O)NC(CSc1c(cccc1)Cl)C(=O)O",null,"CC(=O)NC(CSc1c(cccc1)Cl)C(=O)O",null,2,0,2,"NO","NO",2,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[5137,852,"1,1'-Biphenyl, 2,2',3,6-tetrachloro-","70362-45-7","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(ccc2Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5139,857,"2,2'4,5-TETRACHLOROBIPHENYL","70362-47-9","Clc1c(cc(c(c1)Cl)-c2c(cccc2)Cl)Cl","Clc1c(cc(c(c1)Cl)-c2c(cccc2)Cl)Cl",null,"Clc1c(cc(c(c1)Cl)-c2c(cccc2)Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5140,null,"2,3',4',5-Tetrachlorobiphenyl","70362-48-0","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl","Clc1c(cccc1)-c2cc(c(c(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2cc(c(cc2)Cl)Cl","Clc1c(cccc1)-c2cc(c(c(c2)Cl)Cl)Cl",2,2,0,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5142,809,"2',3,4,5,5'-Pentachlorobiphenyl","70424-70-3","Clc1cc(c(cc1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl","Clc1cc(c(cc1)Cl)-c2cc(c(c(c2)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5143,1800,"Novantrone","70476-82-3","O=C1c2c(C(c3c1c(O)ccc3O)=O)c(NCCNCCO)ccc2NCCNCCO","O=C1c2c(C(c3c1c(O)ccc3O)=O)c(NCCNCCO)ccc2NCCNCCO","O=C1c2c(C(c3c1c(O)ccc3O)=O)c(NCCNCCO)ccc2NCCNCCO","O=C1c2c(C(c3c1c(O)ccc3O)=O)c(NCCNCCO)ccc2NCCNCCO",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[5146,1355,"Metalaxyl-M","70630-17-0",null,null,"COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC","COCC(=O)N(c1c(cccc1C)C)C(C)C(=O)OC",2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Checked on ChemID, Checked on PubChem","4950"]
[5147,4691,"1,3,2-Oxazaphosphepin-2(3H)-amine, N,N-bis(2-chl","70772-73-5",null,"O=P1(OCCCCN1)N(CCCl)CCCl",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5149,null,"Benzenesulfonamide, 4-amino-N-(2,3-dihydro-1,5-d","71119-16-9",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5150,null,"Benzenesulfonamide, 4-amino-N-(3-ethoxy-2-pyridi","71119-19-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5152,null,"Benzenesulfonamide, 4-amino-N-[4-(diethylamino)-","71119-24-9",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5153,4699,"Benzenesulfonamide, 4-amino-N-(5-amino-1,3,4-thi","71119-25-0",{"$nulls":3},"Nc1ccc(cc1)S(=O)(=O)Nc2sc(nn2)N",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5155,null,"Benzenesulfonamide, 4-amino-N-(5,6,7,8-tetrahydr","71119-34-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5156,null,"Benzenesulfonamide, 4-amino-N-[5,6,7,8-tetrahydr","71119-36-3",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5159,4477,"benzenesulfonamide,4-amino-n-(4-ethoxy-2-pyrimi","71138-72-2",null,"CCOc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",null,"CCOc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5160,null,"Butanamide, 2-chloro-2-ethyl-","71203-44-6","CCC(Cl)(CC)C(N)=O",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[5162,688,"1-HEXYL-4-METHOXYCARBONYL-2-PYRROLIDONE","71548-53-3","CCCCCCN1C(CC(C1)C(=O)OC)=O","CCCCCCN1C(CC(C1)C(=O)OC)=O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[5163,1689,"Pyrazoxyfen","71561-11-0","Cc1c(c(n(n1)C)OCC(=O)c2ccccc2)C(=O)c3c(cc(cc3)Cl)Cl","Cc1c(c(n(n1)C)OCC(=O)c2ccccc2)C(=O)c3c(cc(cc3)Cl)Cl","Cc1c(c(n(n1)C)OCC(=O)c2ccccc2)C(=O)c3c(cc(cc3)Cl)Cl","Cc1c(c(n(n1)C)OCC(=O)c2ccccc2)C(=O)c3c(cc(cc3)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5165,null,"cyclopropanecarboxylicacid,3-(2,2-dichloroethe","71697-59-1",null,"CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",null,"CC1(C(C1C=C(Cl)Cl)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",2,0,2,"NO","NO",2,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[5166,null,"Benzenesulfonamide, 4-amino-N-(6-ethoxy-3-pyridi","71720-65-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5169,2208,"2-Propenoic acid, 2,3,3-tribromo-","71815-46-8","O=C(O)C(Br)=C(Br)Br",null,"O=C(O)C(Br)=C(Br)Br","O=C(O)C(Br)=C(Br)Br",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5170,2207,"2-Propenoic acid, 2,3-dibromo-3-iodo-","71815-47-9","O=C(O)C(Br)=C(Br)I",null,"O=C(O)C(Br)=C(Br)I","O=C(O)C(Br)=C(Br)I",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5172,1266,"FOMESAFEN","72178-02-0","CS(=O)(=O)NC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","CS(=O)(=O)NC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","CS(=O)(=O)NC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","CS(=O)(=O)NC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Differences in counterions",""]
[5173,981,"CHLOZOLINATE","72391-46-9","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"5298"]
[5175,1496,"FENOXYCARB","72490-01-8","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"5251"]
[5176,null,"azodyen5","72828-64-9",null,"CCCCN(CCOC(C)=O)c1cc(c(cc1)N=Nc2c(cc(cc2C#N)[N+](=O)[O-])C#N)C",null,"CCCCN(CCOC(C)=O)c1cc(c(cc1)N=Nc2c(cc(cc2C#N)[N+](=O)[O-])C#N)C",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[5178,null,"2-PROPENOIC ACID, 2-METHYL-, 7,7,9(OR 7,9,9)-TRI","72869-86-4",null,"C=C(C)C(=O)OCCOC(=O)NCCC(C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C",null,null,1,0,3,"NO","NO",2,0,"Eliminate","-","Checked on ChemID, Manual Check failed"]
[5179,4030,"1,2-Benzenediol, 4-(1-propenyl)-","72898-29-4","CC=Cc1cc(c(cc1)O)O",null,null,"CC=Cc1cc(c(cc1)O)O",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem","2846"]
[5182,846,"2,3',4,5-TETRACHLOROBIPHENYL","73575-53-8","Clc1cc(ccc1)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(ccc1)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(ccc1)-c2c(cc(c(c2)Cl)Cl)Cl","Clc1cc(ccc1)-c2c(cc(c(c2)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5183,820,"1,1'-Biphenyl, 2,2',3,5,6-pentachloro-","73575-56-1","Clc1c(cccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1c(cccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5185,478,"1,6-DIOXASPIRO[4,4]NONANE, 2,7-DIETHYL-","73727-45-4","CCC1OC2(CC1)OC(CC2)CC",null,null,"CCC1OC2(CC1)OC(CC2)CC",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[5186,4491,"Propanoic acid, 2-hydroxy-, 2-(hexyloxy)-1-methy","73747-55-4",null,"CCCCCCOC(=O)C(C)OC(=O)C(C)O",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on ChemID, Manual Check passed",""]
[5188,1781,"Ketanserin","74050-98-9","O=C(c1ccc(cc1)F)C2CCN(CC2)CCn3c(c4c([nH]c3=O)cccc4)=O","O=C(c1ccc(cc1)F)C2CCN(CC2)CCn3c(c4c([nH]c3=O)cccc4)=O","O=C(c1ccc(cc1)F)C2CCN(CC2)CCn3c(c4c([nH]c3=O)cccc4)=O","O=C(c1ccc(cc1)F)C2CCN(CC2)CCn3c(c4c([nH]c3=O)cccc4)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5189,null,"Propanedioic acid, [(methylamino)methyl]-2-prope","74059-43-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5191,4709,"HYDRAZINECARBOXAMIDE, N-(4-ETHOXYPHENYL)-","74099-07-3","CCOc1ccc(cc1)NC(=O)NN",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5192,1239,"CLOFENTEZINE","74115-24-5","Clc1c(cccc1)-c2nnc(nn2)-c3c(cccc3)Cl","Clc1c(cccc1)-c2nnc(nn2)-c3c(cccc3)Cl","Clc1c(cccc1)-c2nnc(nn2)-c3c(cccc3)Cl",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5195,848,"1,1'-Biphenyl, 2,3,4',5-tetrachloro-","74472-34-7","Clc1ccc(cc1)-c2c(c(cc(c2)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(cc(c2)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(cc(c2)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(cc(c2)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5196,814,"1,1'-Biphenyl, 2,3,3',5,6-pentachloro-","74472-36-9","Clc1cc(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(ccc1)-c2c(c(cc(c2Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5198,816,"1,1'-Biphenyl, 2,3,4,4',6-pentachloro-","74472-38-1","Clc1ccc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl","Clc1ccc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5199,784,"2,3,3',4,4',6-Hexachlorobiphenyl","74472-42-7","Clc1c(cc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl","Clc1c(cc(cc1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5201,779,"1,1'-Biphenyl, 2,3,3',4',5',6-hexachloro-","74472-45-0","Clc1c(c(cc(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(ccc2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5202,781,"2,3,3',5,5',6-HEXACHLOROBIPHENYL","74472-46-1","Clc1cc(cc(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5204,758,"1,1'-Biphenyl, 2,3,3',4,4',5',6-heptachloro-","74472-50-7","Clc1c(c(cc(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl","Clc1c(c(cc(c1)-c2c(c(c(cc2Cl)Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5205,753,"1,1'-Biphenyl, 2,3,3',4,5,5',6-heptachloro-","74472-51-8","Clc1cc(cc(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(cc(c1)Cl)-c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5208,749,"1,1'-Biphenyl, 2,2',3,4',5,6'-heptachloro-","74487-85-7",null,"Clc1cc(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl","Clc1cc(c(c(c1)Cl)-c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5209,3350,"2,5-Dibromobenzaldehyde","74553-29-0","O=Cc1c(ccc(c1)Br)Br",null,"O=Cc1c(ccc(c1)Br)Br","O=Cc1c(ccc(c1)Br)Br",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5211,null,"Butanedioic acid, propyl-, (.+-.)-","74708-88-6",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5212,1357,"BROMOBUTIDE","74712-19-9","CC(C)(NC(=O)C(Br)C(C)(C)C)c1ccccc1","CC(C)(NC(=O)C(Br)C(C)(C)C)c1ccccc1","CC(C)(N=C(O)C(Br)C(C)(C)C)c1ccccc1","CC(C)(N=C(O)C(Br)C(C)(C)C)c1ccccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5214,null,"4-Octanol, (.+-.)-","74778-22-6",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5215,null,"OXABETRINIL","74782-23-3","N#CC(=NOCC1OCCO1)c2ccccc2","N#CC(=NOCC1OCCO1)c2ccccc2","C#CC(=NOCC1OCCO1)c2ccccc2","C#CC(=NOCC1OCCO1)c2ccccc2",2,2,0,"YES","NO",null,null,"Eliminate","-","Stereochemistry removed, Missing/ambiguous"]
[5217,1714,"Enalapril","75847-73-3","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C(CCC2)C(=O)O","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C(CCC2)C(=O)O","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C(CCC2)C(=O)O","CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C(CCC2)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5218,null,"phosphonicacid,[[4-(2-benzothiazolyl)phenyl]me","75889-62-2",null,"CCOP(=O)(Cc1ccc(cc1)-c2sc3c(n2)cccc3)OCC",null,"CCOP(=O)(Cc1ccc(cc1)-c2sc3c(n2)cccc3)OCC",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[5221,4421,"2-Furancarboxamide, N-[(2-furanylcarbonyl)oxy]-","76199-02-5","O=C(NOC(=O)c1occc1)c2occc2",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5222,1235,"Tecloftalam","76280-91-6","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)Nc2c(c(ccc2)Cl)Cl","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)Nc2c(c(ccc2)Cl)Cl","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(O)=Nc2c(c(ccc2)Cl)Cl","O=C(O)c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(O)=Nc2c(c(ccc2)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5224,3197,"L-Alanine, N-(chloroacetyl)-, ethyl ester","76385-53-0","CCOC(=O)C(C)NC(=O)CCl",null,"CCOC(=O)C(C)N=C(O)CCl","CCOC(=O)C(C)N=C(O)CCl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[5225,4439,"benzoicacid,2-(acetyloxy)-,(methylthio)methyl","76432-30-9",null,"CSCOC(=O)c1c(cccc1)OC(C)=O",null,"CSCOC(=O)c1c(cccc1)OC(C)=O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5227,4442,"benzoicacid,2-(acetyloxy)-,(methylsulfonyl)me","76432-35-4",null,"CC(=O)Oc1c(cccc1)C(=O)OCS(C)(=O)=O",null,"CC(=O)Oc1c(cccc1)C(=O)OCS(C)(=O)=O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5228,4301,"2-(2-Chlorophenoxy)propanoic acid","76466-16-5","CC(Oc1c(cccc1)Cl)C(=O)O","CC(Oc1c(cccc1)Cl)C(=O)O","CC(Oc1c(cccc1)Cl)C(=O)O",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5231,1395,"FLUTRIAFOL (PP450)","76674-21-0",null,"OC(Cn1ncnc1)(c2ccc(cc2)F)c3c(cccc3)F","OC(Cn1ncnc1)(c2ccc(cc2)F)c3c(cccc3)F","OC(Cn1ncnc1)(c2ccc(cc2)F)c3c(cccc3)F",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5232,1349,"PACLOBUTRAZOL","76738-62-0","CC(C)(C)C(O)C(Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(Cc1ccc(cc1)Cl)n2ncnc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Differences in counterions",""]
[5234,null,"2-Butenedioic acid, 2-methyl-, 4-methyl ester, (","77044-59-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5235,2551,"GLUFOSINATE-AMMONIUM","77182-82-2","CP(=O)(O)CCC(N)C(=O)O","CP(=O)(O)CCC(N)C(=O)O","CP(=O)(O)CCC(N)C(=O)O","CP(=O)(O)CCC(N)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5237,485,"Glycine, N-(N-L-leucyl-L-alanyl)-","77214-70-1","CC(C)CC(N)C(=O)NC(C)C(=O)NCC(=O)O",null,"CC(C)CC(N)C(O)=NC(C)C(O)=NCC(=O)O","CC(C)CC(N)C(O)=NC(C)C(O)=NCC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[5238,2851,"Carbamic acid, ethylmethyl-, ethyl ester","77333-18-7","CCOC(=O)N(C)CC",null,"CCOC(=O)N(C)CC","CCOC(=O)N(C)CC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5240,1613,"LACTOFEN","77501-63-4","CCOC(=O)C(C)OC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","CCOC(=O)C(C)OC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","CCOC(=O)C(C)OC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]","CCOC(=O)C(C)OC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5241,4578,"fluoroglycofenethyl","77501-90-7",null,"CCOC(=O)COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",null,"CCOC(=O)COC(=O)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5244,4526,"Dodecanedioic acid, 3-methyl-","77633-51-3","CC(CCCCCCCCC(=O)O)CC(=O)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5245,1185,"Oxadixyl","77732-09-3","COCC(=O)N(c1c(cccc1C)C)N2C(OCC2)=O","COCC(=O)N(c1c(cccc1C)C)N2C(OCC2)=O","COCC(=O)N(c1c(cccc1C)C)N2C(OCC2)=O","COCC(=O)N(c1c(cccc1C)C)N2C(OCC2)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5247,669,"3-Pyridinecarboxamide, N-hexyl-","78114-56-4","CCCCCCNC(=O)c1cnccc1",null,"CCCCCCN=C(O)c1cnccc1","CCCCCCN=C(O)c1cnccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5248,4559,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(2,3-dihydro","78183-37-6",null,"CCC1(C(N(C(NC1=O)=O)CC(O)CO)=O)c2ccccc2",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on ChemID, Manual Check passed",""]
[5250,4321,"Benzoic acid, 3,4-dimethoxy-2-nitro-","79025-28-8","COc1c(c(c(cc1)C(=O)O)[N+](=O)[O-])OC",null,"COc1c(c(c(cc1)C(=O)O)[N+](=O)[O-])OC","COc1c(c(c(cc1)C(=O)O)[N+](=O)[O-])OC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5251,1496,"FENOXYCARB","79127-80-3","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2","CCOC(=O)NCCOc1ccc(cc1)Oc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"5175"]
[5253,597,"HARMONY","79277-27-3","COC(=O)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC","COC(=O)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC","COC(=O)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC","COC(=O)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5254,1473,"TETRAFLUTHRIN","79538-32-2","Cc1c(c(c(c(c1F)F)COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)F)F","Cc1c(c(c(c(c1F)F)COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)F)F",null,"Cc1c(c(c(c(c1F)F)COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)F)F",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[5257,1865,"SIMVASTATIN","79902-63-9","CCC(C)(C)C(=O)OC1C2C(=CC(C1)C)C=CC(C)C2CCC3OC(CC(C3)O)=O","CCC(C)(C)C(=O)OC1C2C(=CC(C1)C)C=CC(C)C2CCC3OC(CC(C3)O)=O","CCC(C)(C)C(=O)OC1C2C(=CC(C1)C)C=CC(C)C2CCC3OC(CC(C3)O)=O","CCC(C)(C)C(=O)OC1C2C(=CC(C1)C)C=CC(C)C2CCC3OC(CC(C3)O)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5258,1173,"Hexaconazole","79983-71-4","CCCCC(O)(Cn1ncnc1)c2c(cc(cc2)Cl)Cl","CCCCC(O)(Cn1ncnc1)c2c(cc(cc2)Cl)Cl","CCCCC(O)(Cn1ncnc1)c2c(cc(cc2)Cl)Cl","CCCCC(O)(Cn1ncnc1)c2c(cc(cc2)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5260,1863,"ETOFENPROX","80844-07-1","CCOc1ccc(cc1)C(C)(C)COCc2cc(ccc2)Oc3ccccc3","CCOc1ccc(cc1)C(C)(C)COCc2cc(ccc2)Oc3ccccc3","CCOc1ccc(cc1)C(C)(C)COCc2cc(ccc2)Oc3ccccc3",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5261,1020,"IMAZAPYR","81334-34-1","CC(C)C1(C(NC(=N1)c2c(cccn2)C(=O)O)=O)C","CC(C)C1(C(NC(=N1)c2c(cccn2)C(=O)O)=O)C","CC(C)C1(C(NC(=N1)c2c(cccn2)C(=O)O)=O)C","CC(C)C1(C(NC(=N1)c2c(cccn2)C(=O)O)=O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5263,1345,"Imazethapyr","81335-77-5","CCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O","CCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O","CCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O","CCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5264,null,"Imazamethabenz (isomer mix)","81405-85-8",null,"COC(=O)c1c(cc(cc1)C)C=2NC(C(N2)(C)C(C)C)=O",null,null,1,0,3,"NO","NO",null,null,"Eliminate","-","Mixture"]
[5265,1351,"Fluroxypyr-meptyl","81406-37-3","CCCCCCC(C)OC(=O)COc1c(c(c(c(n1)F)Cl)N)Cl","CCCCCCC(C)OC(=O)COc1c(c(c(c(n1)F)Cl)N)Cl","CCCCCCC(C)OC(=O)COc1c(c(c(c(n1)F)Cl)N)Cl","CCCCCCC(C)OC(=O)COc1c(c(c(c(n1)F)Cl)N)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5266,1215,"3-Pyridinecarboxamide, N-octyl-","81475-34-5","CCCCCCCCNC(=O)c1cnccc1",null,"CCCCCCCCN=C(O)c1cnccc1","CCCCCCCCN=C(O)c1cnccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5267,1370,"3-Pyridinecarboxamide, N-nonyl-","81475-35-6","CCCCCCCCCNC(=O)c1cnccc1",null,"CCCCCCCCCN=C(O)c1cnccc1","CCCCCCCCCN=C(O)c1cnccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5268,1454,"3-Pyridinecarboxamide, N-decyl-","81475-36-7","CCCCCCCCCCNC(=O)c1cnccc1",null,"CCCCCCCCCCNC(=O)c1cnccc1","CCCCCCCCCCNC(=O)c1cnccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5269,1526,"3-Pyridinecarboxamide, N-undecyl-","81475-37-8","CCCCCCCCCCCNC(=O)c1cnccc1",null,"CCCCCCCCCCCN=C(O)c1cnccc1","CCCCCCCCCCCN=C(O)c1cnccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5270,1586,"3-Pyridinecarboxamide, N-dodecyl-","81475-38-9","CCCCCCCCCCCCNC(=O)c1cnccc1","CCCCCCCCCCCCNC(=O)c1cnccc1","CCCCCCCCCCCCNC(=O)c1cnccc1","CCCCCCCCCCCCNC(=O)c1cnccc1",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5271,606,"CLOMAZONE","81777-89-1","CC1(C(N(OC1)Cc2c(cccc2)Cl)=O)C","CC1(C(N(OC1)Cc2c(cccc2)Cl)=O)C","CC1(C(N(OC1)Cc2c(cccc2)Cl)=O)C","CC1(C(N(OC1)Cc2c(cccc2)Cl)=O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5272,null,"Benzoic acid amide, 3-(3-aminobenzoylamino)-","81882-67-9","NC(=O)c1cc(ccc1)NC(=O)c2cc(ccc2)N",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5273,1163,"Triasulfuron","82097-50-5","COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c2c(cccc2)OCCCl","COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c2c(cccc2)OCCCl","COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c2c(cccc2)OCCCl","COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c2c(cccc2)OCCCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5274,1549,"FENOXAPROP-ETHYL","82110-72-3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"5066, 5161"]
[5275,4251,"5,8-Quinolinedione, dioxime","82153-77-3","ON=C1c2c(C(C=C1)=NO)nccc2",null,"ON=C1c2c(C(C=C1)=NO)nccc2","ON=C1c2c(C(C=C1)=NO)nccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5276,1182,"Triadimenol (diastereoisomer B)","82200-72-4",null,"CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Isomeric mix, Manual Check passed","4902, 5339"]
[5277,1614,"Inabenfide","82211-24-3","O=C(Nc1c(cc(cc1)Cl)C(O)c2ccccc2)c3ccncc3","O=C(Nc1c(cc(cc1)Cl)C(O)c2ccccc2)c3ccncc3","O=C(Nc1c(cc(cc1)Cl)C(O)c2ccccc2)c3ccncc3","O=C(Nc1c(cc(cc1)Cl)C(O)c2ccccc2)c3ccncc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5278,2374,"Butanoic acid, 4-amino-2-hydroxy-4-oxo-, (R)-","82310-91-6","NC(=O)CC(O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed","4943, 5065"]
[5279,1574,"Isoxaben","82558-50-7","CCC(C)(CC)c1noc(c1)NC(=O)c2c(cccc2OC)OC","CCC(C)(CC)c1noc(c1)NC(=O)c2c(cccc2OC)OC","CCC(C)(CC)c1noc(c1)NC(=O)c2c(cccc2OC)OC","CCC(C)(CC)c1noc(c1)NC(=O)c2c(cccc2OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5280,1717,"BENFURACARB","82560-54-1","CCOC(=O)CCN(SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C)C(C)C","CCOC(=O)CCN(SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C)C(C)C","CCOC(=O)CCN(SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C)C(C)C","CCOC(=O)CCN(SN(C)C(=O)Oc1c2c(ccc1)CC(O2)(C)C)C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5281,2896,"1-Butanol, 3-ethoxy-","82655-81-0","CCOC(C)CCO",null,"CCOC(C)CCO","CCOC(C)CCO",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5282,1821,"Bifenthrin","82657-04-3","Cc1c(cccc1COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)-c3ccccc3","Cc1c(cccc1COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)-c3ccccc3","Cc1c(cccc1COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)-c3ccccc3","Cc1c(cccc1COC(=O)C2C(C2C=C(Cl)C(F)(F)F)(C)C)-c3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5283,1777,"Benzofenap","82692-44-2","Cc1ccc(cc1)C(=O)COc2n(nc(c2C(=O)c3c(c(c(cc3)Cl)C)Cl)C)C","Cc1ccc(cc1)C(=O)COc2n(nc(c2C(=O)c3c(c(c(cc3)Cl)C)Cl)C)C","Cc1ccc(cc1)C(=O)COc2n(nc(c2C(=O)c3c(c(c(cc3)Cl)C)Cl)C)C","Cc1ccc(cc1)C(=O)COc2n(nc(c2C(=O)c3c(c(c(cc3)Cl)C)Cl)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5284,null,"4-Thiazolesulfonic acid","82971-12-8","O=S(=O)(O)c1ncsc1",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5285,4564,"bensulfuron-methyl(ph7)","83055-99-6",null,"COC(=O)c1c(cccc1)CS(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",null,"COC(=O)c1c(cccc1)CS(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5286,1236,"TEFLUBENZURON","83121-18-0","O=C(NC(=O)c1c(cccc1F)F)Nc2c(c(c(c(c2)Cl)F)Cl)F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(c(c(c(c2)Cl)F)Cl)F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(c(c(c(c2)Cl)F)Cl)F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(c(c(c(c2)Cl)F)Cl)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5287,1516,"ALANYCARB","83130-01-2","CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC","CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC","CCOC(=O)CCN(Cc1ccccc1)SN(C)C(=O)ON=C(C)SC",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[5288,1601,"DIFLUFENICAN","83164-33-4","O=C(Nc1c(cc(cc1)F)F)c2c(nccc2)Oc3cc(ccc3)C(F)(F)F","O=C(Nc1c(cc(cc1)F)F)c2c(nccc2)Oc3cc(ccc3)C(F)(F)F","O=C(Nc1c(cc(cc1)F)F)c2c(nccc2)Oc3cc(ccc3)C(F)(F)F","O=C(Nc1c(cc(cc1)F)F)c2c(nccc2)Oc3cc(ccc3)C(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5289,2209,"2-Propenoic acid, 3-bromo-2,3-diiodo-","83442-56-2","O=C(O)C(I)=C(Br)I",null,"O=C(O)C(I)=C(Br)I","O=C(O)C(I)=C(Br)I",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5290,null,"1,3,4-Pentanetricarboxylic acid, [R-(R*,S*)]-","83572-31-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5291,1334,"Uniconazole-P","83657-17-4","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","5292"]
[5292,1334,"Uniconazole","83657-22-1","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2","CC(C)(C)C(O)C(=Cc1ccc(cc1)Cl)n2ncnc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed","5291"]
[5293,1323,"DINICONAZOLE","83657-24-3","CC(C)(C)C(O)C(=Cc1c(cc(cc1)Cl)Cl)n2ncnc2","CC(C)(C)C(O)C(=Cc1c(cc(cc1)Cl)Cl)n2ncnc2","CC(C)(C)C(O)C(=Cc1c(cc(cc1)Cl)Cl)n2ncnc2","CC(C)(C)C(O)C(=Cc1c(cc(cc1)Cl)Cl)n2ncnc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5294,1051,"Phosmethylan","83733-82-8","CCCC(=O)N(CSP(=S)(OC)OC)c1c(cccc1)Cl","CCCC(=O)N(CSP(=S)(OC)OC)c1c(cccc1)Cl",null,"CCCC(=O)N(CSP(=S)(OC)OC)c1c(cccc1)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5295,276,"8-Quinolinecarboxylic acid, 5-nitro-","83848-59-3","O=C(O)c1c2c(c(cc1)[N+](=O)[O-])cccn2",null,"O=C(O)c1c2c(c(cc1)[N+](=O)[O-])cccn2","O=C(O)c1c2c(c(cc1)[N+](=O)[O-])cccn2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5296,935,"2-Dibenzofuransulfonic acid","83863-63-2","O=S(=O)(O)c1cc2c(cc1)oc3c2cccc3","O=S(=O)(O)c1cc2c(cc1)oc3c2cccc3","O=S(=O)(O)c1cc2c(cc1)oc3c2cccc3","O=S(=O)(O)c1cc2c(cc1)oc3c2cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5297,1759,"LISINOPRIL","83915-83-7","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N2C(CCC2)C(=O)O","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N2C(CCC2)C(=O)O","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N2C(CCC2)C(=O)O","NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N2C(CCC2)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed, Differences in counterions",""]
[5298,981,"Chlozolinate","84332-86-5","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C","CCOC(=O)C1(C(N(C(O1)=O)c2cc(cc(c2)Cl)Cl)=O)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"5173"]
[5299,3683,"ETHANOL, 2-[(2-AMINO-9H-PURIN-9-YL)METHOXY]-","84408-37-7","Nc1nc2c(cn1)ncn2COCCO","Nc1nc2c(cn1)ncn2COCCO",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[5300,1410,"CLOMEPROP","84496-56-0","Cc1c(c(ccc1Cl)OC(C)C(=O)Nc2ccccc2)Cl","Cc1c(c(ccc1Cl)OC(C)C(=O)Nc2ccccc2)Cl","Cc1c(c(ccc1Cl)OC(C)C(O)=Nc2ccccc2)Cl","Cc1c(c(ccc1Cl)OC(C)C(O)=Nc2ccccc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5301,246,"1-Pentanesulfinothioic acid, S-pentyl ester","84549-06-4","CCCCCSS(=O)CCCCC",null,"CCCCCSS(=O)CCCCC","CCCCCSS(=O)CCCCC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5302,2825,"Pentanal, 5-methoxy-","84629-00-5","COCCCCC=O",null,"COCCCCC=O","COCCCCC=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5303,4454,"4-Pyrimidinecarboxylic acid, 1,6-dihydro-6-oxo-2","84659-98-3",{"$nulls":3},"O=C(O)c1[nH]c(nc(c1)=O)-c2ccccc2",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5304,4387,"benzenemethanol,2,4-dichloro-,propanoate","85262-94-8","OCc1c(cc(cc1)Cl)Cl","CCC(=O)OCc1c(cc(cc1)Cl)Cl","CCC(=O)OCc1c(cc(cc1)Cl)Cl","CCC(=O)OCc1c(cc(cc1)Cl)Cl",3,1,0,"NO","NO",4,0,"Maintain","High Reliability","Manual Check passed",""]
[5305,null,"Flusilazole","85509-19-9","C[Si](Cn1ncnc1)(c2ccc(cc2)F)c3ccc(cc3)F","C[Si](Cn1ncnc1)(c2ccc(cc2)F)c3ccc(cc3)F","C[Si](Cn1ncnc1)(c2ccc(cc2)F)c3ccc(cc3)F","C[Si](Cn1ncnc1)(c2ccc(cc2)F)c3ccc(cc3)F",4,0,0,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[5306,null,"2-Imidazolidinone, 4-hydroperoxy-5-hydroxy-4-met","85576-52-9",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5307,1485,"CIPROFLOXACIN","85721-33-1","O=C(O)c1c(c2c(n(c1)C3CC3)cc(N4CCNCC4)c(F)c2)=O","O=C(O)c1c(c2c(n(c1)C3CC3)cc(N4CCNCC4)c(F)c2)=O","O=C(O)c1c(c2c(n(c1)C3CC3)cc(N4CCNCC4)c(F)c2)=O","O=C(O)c1c(c2c(n(c1)C3CC3)cc(N4CCNCC4)c(F)c2)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5308,null,"Tridecanoic acid, 2,4-dioxo-","85763-15-1","CCCCCCCCCC(=O)CC(=O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5309,1369,"ESPROCARB","85785-20-2","CCN(C(=O)SCc1ccccc1)C(C)C(C)C","CCN(C(=O)SCc1ccccc1)C(C)C(C)C","CCN(C(=O)SCc1ccccc1)C(C)C(C)C","CCN(C(=O)SCc1ccccc1)C(C)C(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5310,1285,"PRIMISULFURON-METHYL","86209-51-0","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC(F)F)OC(F)F","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC(F)F)OC(F)F","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC(F)F)OC(F)F","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC(F)F)OC(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5311,1459,"HEXAFLUMURON","86479-06-3","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(c(c2)Cl)OC(F)(F)C(F)F)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(c(c2)Cl)OC(F)(F)C(F)F)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(c(c2)Cl)OC(F)(F)C(F)F)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(c(c2)Cl)OC(F)(F)C(F)F)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5312,1467,"Imibenconazole","86598-92-7","Clc1ccc(cc1)CSC(Cn2ncnc2)=Nc3c(cc(cc3)Cl)Cl","Clc1ccc(cc1)CSC(Cn2ncnc2)=Nc3c(cc(cc3)Cl)Cl","Clc1ccc(cc1)CSC(Cn2ncnc2)=Nc3c(cc(cc3)Cl)Cl","Clc1ccc(cc1)CSC(Cn2ncnc2)=Nc3c(cc(cc3)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5313,1359,"Propisochlor","86763-47-5","CCc1c(c(ccc1)C)N(COC(C)C)C(=O)CCl","CCc1c(c(ccc1)C)N(COC(C)C)C(=O)CCl","CCc1c(c(ccc1)C)N(COC(C)C)C(=O)CCl","CCc1c(c(ccc1)C)N(COC(C)C)C(=O)CCl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5314,1669,"FLUAZURON","86811-58-7","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)Cl)Oc3c(cc(cn3)C(F)(F)F)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)Cl)Oc3c(cc(cn3)C(F)(F)F)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)Cl)Oc3c(cc(cn3)C(F)(F)F)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)Cl)Oc3c(cc(cn3)C(F)(F)F)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5315,null,"2,4-Imidazolidinedione, 5-butyl-, (¤)-","87052-64-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5316,4545,"carbamicacid,(3,4-diethoxyphenyl)-,1-methylet","87130-20-9",null,"CCOc1c(cc(cc1)NC(=O)OC(C)C)OCC",null,"CCOc1c(cc(cc1)NC(=O)OC(C)C)OCC",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5317,1629,"HALOXYFOP-ETOTYL","87237-48-7","CCOCCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl","CCOCCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl","CCOCCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl","CCOCCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5318,1515,"Butenachlor","87310-56-3","CC=CCOCN(C(=O)CCl)c1c(cccc1CC)CC","CC=CCOCN(C(=O)CCl)c1c(cccc1CC)CC","CC=CCOCN(C(=O)CCl)c1c(cccc1CC)CC","CC=CCOCN(C(=O)CCl)c1c(cccc1CC)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5319,1742,"FLUMICLORAC-PENTYL","87546-18-7","CCCCCOC(=O)COc1c(cc(c(c1)N2C(C3=C(C2=O)CCCC3)=O)F)Cl","CCCCCOC(=O)COc1c(cc(c(c1)N2C(C3=C(C2=O)CCCC3)=O)F)Cl","CCCCCOC(=O)COc1c(cc(c(c1)N2C(C3=C(C2=O)CCCC3)=O)F)Cl","CCCCCOC(=O)COc1c(cc(c(c1)N2C(C3=C(C2=O)CCCC3)=O)F)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5320,668,"DIMETHENAMID","87674-68-8","COCC(C)N(C(=O)CCl)c1c(scc1C)C","COCC(C)N(C(=O)CCl)c1c(scc1C)C","COCC(C)N(C(=O)CCl)c1c(scc1C)C","COCC(C)N(C(=O)CCl)c1c(scc1C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5321,1476,"ISOXAPYRIFOP","87757-18-4","CC(Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl)C(=O)N3OCCC3","CC(Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl)C(=O)N3OCCC3","CC(Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl)C(=O)N3OCCC3","CC(Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl)C(=O)N3OCCC3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5322,1579,"CINMETHYLIN","87818-31-3","Cc1c(cccc1)COC2C3(CCC(C2)(O3)C(C)C)C","Cc1c(cccc1)COC2C3(CCC(C2)(O3)C(C)C)C","Cc1c(cccc1)COC2C3(CCC(C2)(O3)C(C)C)C","Cc1c(cccc1)COC2C3(CCC(C2)(O3)C(C)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5323,null,"9H-PURIN-6-AMINE, 9-[2-O-ACETYL-3,5-BIS-O-[(1,1-","87970-03-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5324,null,"9-(2-O-Butyryl-beta-D- arabinofuranosyl)adenine","87970-05-6","CCCC(=O)OC1C(OC(C1O)CO)n2c3c(nc2)c(N)ncn3",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[5325,null,"9H-PURIN-6-AMINE, 9-[3,5-BIS-O-[(1,1-DIMETHYLETH","87984-85-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5326,4654,"Butanedioic acid, (1-methylethenyl)-","87989-21-7","C=C(C)C(CC(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5327,null,"Methylene, (methyleneamino)-","88333-02-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5328,555,"FLUXOFENIM","88485-37-4","FC(F)(F)C(=NOCC1OCCO1)c2ccc(cc2)Cl","FC(F)(F)C(=NOCC1OCCO1)c2ccc(cc2)Cl","FC(F)(F)C(=NOCC1OCCO1)c2ccc(cc2)Cl","FC(F)(F)C(=NOCC1OCCO1)c2ccc(cc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5329,1325,"MYCLOBUTANIL","88671-89-0","CCCCC(C#N)(Cn1ncnc1)c2ccc(cc2)Cl","CCCCC(C#N)(Cn1ncnc1)c2ccc(cc2)Cl","CCCCC(C#N)(Cn1ncnc1)c2ccc(cc2)Cl","CCCCC(C#N)(Cn1ncnc1)c2ccc(cc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5330,1567,"Pyributicarb","88678-67-5","COc1nc(ccc1)N(C)C(=S)Oc2cc(ccc2)C(C)(C)C","COc1nc(ccc1)N(C)C(=S)Oc2cc(ccc2)C(C)(C)C","COc1nc(ccc1)N(C)C(=S)Oc2cc(ccc2)C(C)(C)C","COc1nc(ccc1)N(C)C(=S)Oc2cc(ccc2)C(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5331,2205,"Acrylic acid, 2,3-dibromo-3-chloro-","88917-04-8","O=C(O)C(Br)=C(Cl)Br",null,"O=C(O)C(Br)=C(Cl)Br","O=C(O)C(Br)=C(Cl)Br",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5332,2206,"Acrylic acid, 3,3-dibromo-2-chloro-","88917-05-9","O=C(O)C(Cl)=C(Br)Br",null,"O=C(O)C(Cl)=C(Br)Br","O=C(O)C(Cl)=C(Br)Br",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5333,null,"PROPANOL 1 (OR 2)-2-METHOXYMETHYL ETHOXY, ACETAT","88917-22-0",null,"CCC(OCCCOC)OC(C)=O",null,null,1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5334,2130,"2-Propanol, 1,1-dinitro-","89167-84-0","CC(O)C([N+](=O)[O-])[N+](=O)[O-]",null,"CC(O)C([N+](=O)[O-])[N+](=O)[O-]","CC(O)C([N+](=O)[O-])[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5335,1336,"Ferimzone","89269-64-7","CC(=NNc1nc(cc(n1)C)C)c2c(cccc2)C","CC(=NNc1nc(cc(n1)C)C)c2c(cccc2)C","CC(=NNc1nc(cc(n1)C)C)c2c(cccc2)C","CC(=NNc1nc(cc(n1)C)C)c2c(cccc2)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5336,4622,"3-Pyridinesulfonamide, 6-hydroxy-","89322-91-8","NS(=O)(=O)c1cnc(cc1)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5337,null,"Lg-Tartaric acid monomethyl ester","89395-25-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5338,3082,"Purine-2,8(3H,9H)-dione, 3-methyl-","89418-24-6","Cn1c2c(cnc1=O)[nH]c(=O)[nH]2",null,"Cn1c2c(cnc1=O)nc(O)[nH]2","Cn1c2c(cnc1=O)nc(O)[nH]2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5339,1182,"Triadimenol (diastereoisomer A)","89482-17-7",null,"CC(C)(C)C(O)C(Oc1ccc(cc1)Cl)n2ncnc2",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Isomeric mix, Manual Check passed","4902, 5276"]
[5340,null,"(+)(R)-6-hydroxy-4-methyl-caproaldehyde","89794-65-0","CC(CCO)CCC=O",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[5341,3466,"2(3H)-Pteridinone, 3-methyl-","89795-86-8","Cn1c(nc2c(c1)nccn2)=O",null,"Cn1c(nc2c(c1)nccn2)=O","Cn1c(nc2c(c1)nccn2)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5342,null,"Carbamic acid, sulfamoyl-, 2-ethylbutyl ester","89851-12-7","CCC(CC)COC(=O)NS(N)(=O)=O",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5343,4228,"5-Isobenzofurancarbonitrile, 1,3-dihydro-3-oxo-","89877-62-3","N#Cc1cc2c(cc1)COC2=O",null,"N#Cc1cc2c(cc1)COC2=O","N#Cc1cc2c(cc1)COC2=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5344,4653,"2-Butenedioic acid, 2-methyl-, 1-ethyl ester, (E","89966-38-1",{"$nulls":3},"CCOC(=O)C(C)=CC(=O)O",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed","5061"]
[5345,3330,"1-Propanol, 2,2-bis(ethylsulfonyl)-","89979-51-1","CCS(=O)(=O)C(C)(CO)S(=O)(=O)CC",null,"CCS(=O)(=O)C(C)(CO)S(=O)(=O)CC","CCS(=O)(=O)C(C)(CO)S(=O)(=O)CC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5346,3999,"Benzaldehyde, 2-amino-4-hydroxy-3-methoxy-","89984-23-6","COc1c(c(ccc1O)C=O)N","COc1c(c(ccc1O)C=O)N","COc1c(c(ccc1O)C=O)N","COc1c(c(ccc1O)C=O)N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5347,4264,"Phthalic acid, 4-nitro-, 1-methyl ester","90072-77-8","COC(=O)c1c(cc(cc1)[N+](=O)[O-])C(=O)O",null,"COC(=O)c1c(cc(cc1)[N+](=O)[O-])C(=O)O","COC(=O)c1c(cc(cc1)[N+](=O)[O-])C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5348,4684,"Butyric acid, 2,2'-dithiodi-","90114-01-5","CCC(SSC(CC)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5349,4689,"Hexanoic acid, 2,5-dimethyl-","90201-13-1","CC(C)CCC(C)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5350,3697,"Glutamic acid, N-(2-cyanoethyl)-","90243-80-4","N#CCCNC(CCC(=O)O)C(=O)O",null,"N#CCCNC(CCC(=O)O)C(=O)O","N#CCCNC(CCC(=O)O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[5351,4620,"Carbamic acid, sulfamoyl-, butyl ester","90324-88-2","CCCCOC(=O)NS(N)(=O)=O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5352,3775,"1,4-Cyclohexanediol, 1,4-dimethyl-,","90414-69-0",null,null,"CC1(CCC(CC1)(C)O)O","CC1(CCC(CC1)(C)O)O",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[5353,4095,"Barbituric acid, 5-acetonyl-5-ethyl-","90438-06-5","CCC1(C(NC(NC1=O)=O)=O)CC(C)=O",null,"CCC1(C(=NC(N=C1O)=O)O)CC(C)=O","CCC1(C(=NC(N=C1O)=O)O)CC(C)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5354,4185,"Nonanoic acid, 2,3-dihydroxy-","90677-53-5","CCCCCCC(O)C(O)C(=O)O",null,"CCCCCCC(O)C(O)C(=O)O","CCCCCCC(O)C(O)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5355,514,"Quinmerac","90717-03-6","Cc1cc2c(nc1)c(C(=O)O)c(Cl)cc2","Cc1cc2c(nc1)c(C(=O)O)c(Cl)cc2","Cc1cc2c(nc1)c(C(=O)O)c(Cl)cc2","Cc1cc2c(nc1)c(C(=O)O)c(Cl)cc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5356,4720,"Malonamide, 2,2-diethyl-N,N'-dimethyl-","90728-91-9","CCC(CC)(C(=O)NC)C(=O)NC",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5357,null,"Isoleucine, N-(2-cyanoethyl)-","90770-17-5","CCC(C)C(NCCC#N)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[5358,null,"Carbamic acid, sulfamoyl-, 2-ethylhexyl ester","90796-83-1","CCCCC(CC)COC(=O)NS(N)(=O)=O",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5359,null,"2,4,6-Cycloheptatrien-1-one, 5-bromo-2-hydroxy-4","90841-50-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5360,63,"2-Pteridinol, 6,7-diethyl-","90870-76-1","CCc1c(nc2c(n1)cnc(O)n2)CC",null,"CCc1c(nc2c(n1)cnc(=O)[nH]2)CC","CCc1c(nc2c(n1)cnc(=O)[nH]2)CC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5361,194,"Propanoic acid, 2-(cyclohexyloxy)-2-methyl-","91007-35-1","CC(C)(OC1CCCCC1)C(=O)O","CC(C)(OC1CCCCC1)C(=O)O","CC(C)(OC1CCCCC1)C(=O)O","CC(C)(OC1CCCCC1)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5362,null,"Hydrocinnamic acid, .beta.-methoxy-","91061-49-3","COC(CC(=O)O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5363,4626,"Butanoic acid, 2,3-dibromo-2-methyl-","91114-65-7","CC(Br)C(C)(Br)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5364,null,"Succinanilic acid, 3-methyl-","91133-69-6","CC(CC(=O)O)C(=O)Nc1ccccc1",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5365,null,"2-Furancarboxylic acid, 5-nitro-, [3-(5-nitro-2-","91330-81-3",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5366,null,"Lactic acid, dimethylthiocarbamate","91499-08-0","CN(C)C(O)=S",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5367,566,"Cyclohexane-1,3-dione, 2-nitro-5-phenyl-","91569-89-0","O=C1C(C(CC(C1)c2ccccc2)=O)[N+](=O)[O-]",null,"O=C1C(C(CC(C1)c2ccccc2)=O)[N+](=O)[O-]","O=C1C(C(CC(C1)c2ccccc2)=O)[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5368,4555,"Malonamide, 2,2-dihydroxy-N,N'diphenyl-","91732-73-9","O=C(Nc1ccccc1)C(O)(O)C(=O)Nc2ccccc2",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5369,123,"Barbituric acid, 5-(2-butenyl)-1,5-dimethyl-","91761-25-0","CC=CCC1(C(N(C(NC1=O)=O)C)=O)C",null,"CC=CCC1(C(=NC(N(C1=O)C)=O)O)C","CC=CCC1(C(=NC(N(C1=O)C)=O)O)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5370,2726,"2-Hydroxy-but-3-enoic acid ethyl ester","91890-87-8","C=CC(O)C(=O)OCC",null,"C=CC(O)C(=O)OCC","C=CC(O)C(=O)OCC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5371,4490,"Pyran, 2,2'-oxybis[tetrahydro-6-methyl-","92038-29-4","CC1OC(CCC1)OC2OC(CCC2)C",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5372,null,"Guanidine, N-butyl-N'-sulfanilyl-","92059-15-9","CCCCNC(=N)NS(=O)(=O)c1ccc(cc1)N",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5373,null,"2-Furanacrolein, 5-nitro-, 4-phenylsemicarbazone","92150-32-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5374,3337,"Phosphoric acid, methyl dipropyl ester","92347-84-7","CCCOP(=O)(OC)OCCC",null,"CCCOP(=O)(OC)OCCC","CCCOP(=O)(OC)OCCC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5375,null,"2,5-Furandipropionic acid, tetrahydro-, diethyl","92371-84-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5376,null,"Propionic acid, 3,3-dimethyl-2,3'-iminodi-","92402-78-3","CC(C)C(NCCC(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5377,null,"pyrimido[5,4-d]pyrimidine-2,4,8(3h)-trione,1,7-","92474-94-7",null,"Cn1c(c2c(nc1)c(=O)n(C)c(=O)n2C)=O",null,"Cn1c(c2c(nc1)c(=O)n(C)c(=O)n2C)=O",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[5378,null,"Benzoic acid, m-nitro-, (5-nitrofurfurylidene)hy","92695-66-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5379,4459,"Glycine, N-naphthalene-2-sulfonyl)-","92740-48-2",null,"O=C(O)CNS(=O)(=O)c1cc2c(cc1)cccc2",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5380,null,"2,5-Pyrrolidinediacetic acid, 1-methyl-, dimethy","92776-66-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5381,null,"Pyrimido[5,4-d]pyrimidine-2,4,6,8(3H,7H)-tetrone","92876-74-9","O=C1NC(C=2C(=N1)C(=O)NC(=O)N2)=O",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5382,1776,"12-BUTYL-BENZ[A]ANTHRACENE","93037-15-1","CCCCc1c2c(cc3c1cccc3)ccc4c2cccc4",null,"CCCCc1c2c(cc3c1cccc3)ccc4c2cccc4","CCCCc1c2c(cc3c1cccc3)ccc4c2cccc4",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5383,2318,"Butanoic acid, 2,2-dibromo-","93146-89-5","CCC(Br)(Br)C(=O)O",null,"CCC(Br)(Br)C(=O)O","CCC(Br)(Br)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5384,null,"Pyrimido[5,4-d]pyrimidine-2,4,6,8(3H,7H)-tetrone","93506-59-3","O=C1NC(C=2C(=N1)C(=O)NC(=O)N2)=O",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5385,1189,"Pyrazosulfuron-ethyl","93697-74-6","CCOC(=O)c1c(n(nc1)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC","CCOC(=O)c1c(n(nc1)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC","CCOC(=O)c1c(n(nc1)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC","CCOC(=O)c1c(n(nc1)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5386,1148,"Glycine, N-[N-(2-naphthalenylsulfonyl)glycyl]-","93886-70-5","O=C(O)CNC(=O)CNS(=O)(=O)c1cc2c(cc1)cccc2",null,"O=C(O)CN=C(O)CNS(=O)(=O)c1cc2c(cc1)cccc2","O=C(O)CN=C(O)CNS(=O)(=O)c1cc2c(cc1)cccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5387,1333,"Cyproconazole","94361-06-5","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,"5388"]
[5388,1333,"Cyproconazole","94361-07-6","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl",null,"CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl","CC(C1CC1)C(O)(Cn2ncnc2)c3ccc(cc3)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","5387"]
[5389,null,"2,4(1H,3H)-Pteridinedione, 6-acetyl-1,3,7-trimet","94591-19-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5390,1347,"CINOSULFURON","94593-91-6","COCCOc1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OC)OC","COCCOc1c(cccc1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OC)OC","COCCOc1c(cccc1)S(=O)(=O)N=C(O)N=c2nc([nH]c(n2)OC)OC","COCCOc1c(cccc1)S(=O)(=O)N=C(O)N=c2nc([nH]c(n2)OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5391,4697,"Phthalic acid, 3-sulfamoyl-","94617-43-3","NS(=O)(=O)c1c(c(ccc1)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5392,null,"3-Azabicyclo[3.2.1]octane-2,4-dione, 3-hydroxy-1","94626-92-3",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5393,250,"CADUSAFOS","95465-99-9","CCOP(=O)(SC(C)CC)SC(C)CC","CCOP(=O)(SC(C)CC)SC(C)CC","CCOP(=O)(SC(C)CC)SC(C)CC","CCOP(=O)(SC(C)CC)SC(C)CC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5394,4669,"1H-Imidazole-4-carboxylic acid, 2-bromo-5-methyl","95470-42-1",{"$nulls":3},"CCOC(=O)C1C(=NC(=N1)Br)C",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5395,3212,"Acetic acid, (cyclopentyloxy)-","95832-60-3","O=C(O)COC1CCCC1",null,null,"O=C(O)COC1CCCC1",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[5396,null,"Butyrophenone, 4-[4-(p-fluorophenyl)-4-hydroxypi","95948-65-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5397,1070,"TEBUPIRIMFOS","96182-53-5","CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C","CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C","CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C","CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5398,null,"2-Isoindolineacetic acid, .alpha.-ethyl-.alpha.-","96435-08-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5399,null,"ALLOPURINOL, 1-ACETYL-","96448-60-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5400,null,"ALLOPURINOL, 1-(OXOPROPYL)-","96448-61-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5401,null,"ALLOPURINOL, 1-BENZOYL-","96448-63-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5402,null,"ALLOPURINOL, 1-(1-OXOBUTYL)-","96474-05-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5403,1654,"PYRIDABEN","96489-71-3","CC(C)(C)c1ccc(cc1)CSc2c(c(n(nc2)C(C)(C)C)=O)Cl","CC(C)(C)c1ccc(cc1)CSc2c(c(n(nc2)C(C)(C)C)=O)Cl","CC(C)(C)c1ccc(cc1)CSc2c(c(n(nc2)C(C)(C)C)=O)Cl","CC(C)(C)c1ccc(cc1)CSc2c(c(n(nc2)C(C)(C)C)=O)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5404,1422,"Thenylchlor","96491-05-3","COc1c(scc1)CN(C(=O)CCl)c2c(cccc2C)C","COc1c(scc1)CN(C(=O)CCl)c2c(cccc2C)C","COc1c(scc1)CN(C(=O)CCl)c2c(cccc2C)C","COc1c(scc1)CN(C(=O)CCl)c2c(cccc2C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5405,1546,"FLURTAMONE","96525-23-4","CNC=1OC(C(C1c2cc(ccc2)C(F)(F)F)=O)c3ccccc3","CNC=1OC(C(C1c2cc(ccc2)C(F)(F)F)=O)c3ccccc3","CNC=1OC(C(C1c2cc(ccc2)C(F)(F)F)=O)c3ccccc3","CNC=1OC(C(C1c2cc(ccc2)C(F)(F)F)=O)c3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5406,1530,"Propanamide, 2-hydroxy-N-tetradecyl-","96945-44-7","CCCCCCCCCCCCCCNC(=O)C(C)O",null,"CCCCCCCCCCCCCCN=C(O)C(C)O","CCCCCCCCCCCCCCN=C(O)C(C)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5407,4438,"methyl(1-phenylsulfonyl)cyclopropanecarboxyla","97383-42-1",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccccc2",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccccc2",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5408,117,"dka-24","97454-00-7",null,"C=CCNC(=O)CN(CC=C)C(=O)C(Cl)Cl",null,"C=CCNC(=O)CN(CC=C)C(=O)C(Cl)Cl",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[5409,1338,"ETHAMETSULFURON-METHYL","97780-06-8","CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC","CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC","CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC","CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5410,3163,"2-Propanone, 1-(4,5-dihydro-2-thiazolyl)-","97855-56-6","CC(=O)CC=1SCCN1",null,"CC(=O)CC=1SCCN1","CC(=O)CC=1SCCN1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5411,1316,"Dithiopyr","97886-45-8","CSC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C(=O)SC)CC(C)C","CSC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C(=O)SC)CC(C)C","CSC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C(=O)SC)CC(C)C",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5412,2102,"1,2,4-Thiadiazol-5-amine, 3-methoxy-","98022-43-6","COc1nc(sn1)N",null,"COc1nc(sn1)N","COc1nc(sn1)N",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5413,2368,"1,2,4-Thiadiazole, 5-amino-3-ethoxy-","98022-62-9","CCOc1nc(sn1)N",null,"CCOc1[nH]sc(n1)=N","CCOc1[nH]sc(n1)=N",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5414,null,"ETHYL (ETHYLTHIO) MERCURY","98025-96-8","CCS[Hg]CC",{"$nulls":3},1,0,3,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[5415,2506,"1-Propanol, 2,3-dimercapto-, 1-acetate","98070-12-3","CC(=O)OCC(S)CS",null,"CC(=O)OCC(S)CS","CC(=O)OCC(S)CS",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5416,4650,"Benzenesulfonic acid, pentabromo-","98137-88-3","O=S(=O)(O)c1c(c(c(c(c1Br)Br)Br)Br)Br",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5417,4649,"s-Triazine, 2-(allylamino)-4-amino-","98197-51-4","C=CCNc1nc(ncn1)N",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5418,4651,"Purin-2(1H)-one, 3,6-dihydro-3,7-dimethyl-","98335-22-9","CN1c2c(CNC1=O)n(cn2)C",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5419,3742,"Hexanamide, 2-ethylidene-","98552-24-0","CC=C(CCCC)C(N)=O",null,"CC=C(CCCC)C(=N)O","CC=C(CCCC)C(=N)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5420,null,"Pyrazinamide, N-2-pyrimidinyl-","98590-07-9","O=C(Nc1ncccn1)c2nccnc2",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5421,357,"BENOXACOR","98730-04-2","CC1N(c2c(OC1)cccc2)C(=O)C(Cl)Cl","CC1N(c2c(OC1)cccc2)C(=O)C(Cl)Cl","CC1N(c2c(OC1)cccc2)C(=O)C(Cl)Cl","CC1N(c2c(OC1)cccc2)C(=O)C(Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5422,null,"Spiro[benzofuran-2(3H), 1'-[2]cyclohexene]-3,4'-","98801-82-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5423,null,"ALLOPURINOL,1,5-BIS(PIVALOYLOXYMETHYL)-","98827-16-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5424,null,"ALLOPURINOL,2,5-BIS(PIVALOYLOXYMETHYL)-","98827-17-9",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5425,414,"ALLOPURINOL,1-[PIVALOYLOXYMETHYL]-","98827-18-0",null,null,"CC(C)(C)C(=O)OCn1c2c(cn1)c(O)ncn2","CC(C)(C)C(=O)OCn1c2c(cn1)c(O)ncn2",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[5426,null,"ALLOPURINOL, 1,5-BIS(BUTYRYLOXYMETHYL)-","98827-19-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5427,null,"ALLOPURINOL, 2,5-BIS(BUTYRYLOXYMETHYL)-","98827-20-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5428,1196,"ALLOPURINOL,1-[N,N-DIETHYLSUCCINAMYL-OXYMETHYL]-","98827-27-1",null,null,"CCN(CC)C(=O)CCC(=O)OCn1c2c(cn1)c(O)ncn2","CCN(CC)C(=O)CCC(=O)OCn1c2c(cn1)c(O)ncn2",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[5429,1366,"3-Pyridinecarboxylic acid, nonyl ester","98841-58-8","CCCCCCCCCOC(=O)c1cnccc1",null,"CCCCCCCCCOC(=O)c1cnccc1","CCCCCCCCCOC(=O)c1cnccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5430,3944,"ALLOPURINOL, 1-[(ACETYLOXY)METHYL]-","98846-64-1",null,null,"CC(=O)OCn1c2c(cn1)c(O)ncn2","CC(=O)OCn1c2c(cn1)c(O)ncn2",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[5431,975,"ALLOPURINOL, 1-[BENZOYLOXYMETHYL]-","98846-65-2",null,null,"O=C(OCn1c2c(cn1)c(O)ncn2)c3ccccc3","O=C(OCn1c2c(cn1)c(O)ncn2)c3ccccc3",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[5432,953,"ALLOPURINOL, 1-[NICOTINOYLOXYMETHYL]-","98846-66-3",null,null,"O=C(OCn1c2c(cn1)c(O)ncn2)c3cnccc3","O=C(OCn1c2c(cn1)c(O)ncn2)c3cnccc3",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[5433,4173,"Fosthiazate","98886-44-3","CCOP(=O)(SC(C)CC)N1C(SCC1)=O","CCOP(=O)(SC(C)CC)N1C(SCC1)=O","CCOP(=O)(SC(C)CC)N1C(SCC1)=O","CCOP(=O)(SC(C)CC)N1C(SCC1)=O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5434,948,"FLUMETSULAM","98967-40-9","Cc1nc2n(cc1)nc(S(=O)(=O)Nc3c(cccc3F)F)n2","Cc1nc2n(cc1)nc(S(=O)(=O)Nc3c(cccc3F)F)n2","Cc1nc2n(cc1)nc(S(=O)(=O)Nc3c(cccc3F)F)n2","Cc1nc2n(cc1)nc(S(=O)(=O)Nc3c(cccc3F)F)n2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5435,null,"Pyrazinamide, N-(4-methyl-2-pyrimidinyl)-","99057-45-1","Cc1nc(ncc1)NC(=O)c2nccnc2",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5436,4529,"icia0051(sulcotrione)","99105-77-8",null,"CS(=O)(=O)c1cc(c(cc1)C(=O)C2C(CCCC2=O)=O)Cl",null,"CS(=O)(=O)c1cc(c(cc1)C(=O)C2C(CCCC2=O)=O)Cl",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5437,338,"1(3H)-Isobenzofuranone, 3,3-dimethyl-6-nitro-","99185-20-3","CC1(c2c(C(O1)=O)cc([N+](=O)[O-])cc2)C",null,"CC1(c2c(C(O1)=O)cc([N+](=O)[O-])cc2)C","CC1(c2c(C(O1)=O)cc([N+](=O)[O-])cc2)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5438,339,"Phthalide, 3-ethyl-6-nitro-","99185-21-4","CCC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2",null,"CCC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2","CCC1c2c(C(O1)=O)cc([N+](=O)[O-])cc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5439,2500,"Butanal, 3-hydroxy-2-methyl-","99506-67-9","CC(O)C(C)C=O",null,"CC(O)C(C)C=O","CC(O)C(C)C=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5440,4271,"8-Quinazolinol, 4-methyl-","99512-70-6","Cc1c2c(ncn1)c(O)ccc2",null,"Cc1c2c(ncn1)c(O)ccc2","Cc1c2c(ncn1)c(O)ccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5441,3942,"7(8H)-Pteridinone, 6,8-dimethyl-","99584-31-3","Cc1c(n(c2c(n1)cncn2)C)=O",null,"Cc1c(n(c2c(n1)cncn2)C)=O","Cc1c(n(c2c(n1)cncn2)C)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5442,1563,"Cloquintocet-mexyl","99607-70-2","CCCCCC(C)OC(=O)COc1c2c(c(cc1)Cl)cccn2","CCCCCC(C)OC(=O)COc1c2c(c(cc1)Cl)cccn2","CCCCCC(C)OC(=O)COc1c2c(c(cc1)Cl)cccn2","CCCCCC(C)OC(=O)COc1c2c(c(cc1)Cl)cccn2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5443,3231,"2,6-Piperidinedicarboxamide","99669-83-7","NC(=O)C1NC(CCC1)C(N)=O",null,"N=C(O)C1NC(CCC1)C(=N)O","N=C(O)C1NC(CCC1)C(=N)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5444,474,"1,2-Cyclohexanedione, 4-tert-pentyl-, dioxime","99991-56-7","CCC(C)(C)C1CC(C(CC1)=NO)=NO",null,"CCC(C)(C)C1CC(C(CC1)=NO)=NO","CCC(C)(C)C1CC(C(CC1)=NO)=NO",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5445,null,"2(1H)-Naphthalenone, octahydro-5,8-dihydroxy-1-m","100053-24-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5446,375,"8-Quinazolinol, 4-propyl-","100060-07-9","CCCc1c2c(ncn1)c(O)ccc2",null,"CCCc1c2c(ncn1)c(O)ccc2","CCCc1c2c(ncn1)c(O)ccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5447,null,"Isonicotinic acid, (3-carboxy-1-methylpropyliden","100128-07-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5448,4506,"1-naphthalenepropanoicacid,.beta.-amino-,(¤)","100393-41-7",null,"NC(CC(=O)O)c1c2c(ccc1)cccc2",null,"NC(CC(=O)O)c1c2c(ccc1)cccc2",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[5449,1055,"3-Pyridinecarboxylic acid, heptyl ester","100618-60-8","CCCCCCCOC(=O)c1cnccc1",null,"CCCCCCCOC(=O)c1cnccc1","CCCCCCCOC(=O)c1cnccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5450,1624,"QUIZALOFOP-P-ETHYL","100646-51-3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3","CCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed","5230"]
[5451,1018,"HALOSULFURON-METHYL","100784-20-1","COC(=O)c1c(n(nc1Cl)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC","COC(=O)c1c(n(nc1Cl)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC","COC(=O)c1c(n(nc1Cl)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC","COC(=O)c1c(n(nc1Cl)C)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5452,1014,"Quinoline, 5-acetamido-8-ethoxy-","100795-24-2","CCOc1c2c(c(cc1)NC(C)=O)cccn2",null,"CCOc1c2c(c(cc1)N=C(C)O)cccn2","CCOc1c2c(c(cc1)N=C(C)O)cccn2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5453,null,"1,2-Cyclohexanedione, 4-(1,1,3,3-tetramethylbuty","100879-19-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5454,1233,"Phosphoric acid, dibutyl 4-ethoxybutyl ester","100888-67-3","CCCCOP(=O)(OCCCC)OCCCCOCC",null,"CCCCOP(=O)(OCCCC)OCCCCOCC","CCCCOP(=O)(OCCCC)OCCCCOCC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5455,null,"1,1-Bis-ethanesulfonylpropane","100911-61-3","CCC(S(=O)(=O)CC)S(=O)(=O)CC",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[5456,1868,"ACRINATHRIN","101007-06-1","CC1(C(C1C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C","CC1(C(C1C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C","CC1(C(C1C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C#N)c2cc(ccc2)Oc3ccccc3)C",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[5457,null,"Benzamide, O-(L-arabinopyranosyloxy)-N,N-dimethy","101116-23-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5458,1329,"Tribenuron-methyl","101200-48-0","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)N(C)c2nc(nc(n2)C)OC","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)N(C)c2nc(nc(n2)C)OC","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)N(C)c2nc(nc(n2)C)OC","COC(=O)c1c(cccc1)S(=O)(=O)NC(=O)N(C)c2nc(nc(n2)C)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5459,1523,"Cycloxydim","101205-02-1",null,null,"CCCC(=NOCC)C=1C(CC(CC1O)C2CSCCC2)=O","CCCC(=NOCC)C=1C(CC(CC1O)C2CSCCC2)=O",2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[5460,2301,"Butanoic acid, 2,2,4-trichloro-","101256-97-7","O=C(O)C(Cl)(Cl)CCCl",null,"O=C(O)C(Cl)(Cl)CCCl","O=C(O)C(Cl)(Cl)CCCl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5461,null,"1-Piperazinecarboxylic acid, 4,4'-ethylenedi-, d","101433-80-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5462,null,"Carbamic acid, hexamethylenedi-, bis(4-hydroxybu","101443-32-7",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5463,1726,"Flufenoxuron","101463-69-8","O=C(NC(=O)c1c(cccc1F)F)Nc2c(cc(cc2)Oc3c(cc(cc3)C(F)(F)F)Cl)F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(cc(cc2)Oc3c(cc(cc3)C(F)(F)F)Cl)F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(cc(cc2)Oc3c(cc(cc3)C(F)(F)F)Cl)F","O=C(NC(=O)c1c(cccc1F)F)Nc2c(cc(cc2)Oc3c(cc(cc3)C(F)(F)F)Cl)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5464,null,"[4-(2-ethoxyethylamino)phenyl]-(4-aminophenyl)-s","101586-90-7",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5465,4265,"Phthalic acid, 4-nitro-, 2-methyl ester","101714-14-1","COC(=O)c1c(ccc(c1)[N+](=O)[O-])C(=O)O",null,"COC(=O)c1c(ccc(c1)[N+](=O)[O-])C(=O)O","COC(=O)c1c(ccc(c1)[N+](=O)[O-])C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5466,null,"7H-Purine-7-carboxylic acid, 1,2,3,6-tetrahydro-","101774-91-8","O=C(O)n1c2c(nc1)NCNC2",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5467,1531,"Undecanoic acid, 11-[(6-aminohexyl)amino]-","101791-68-8","NCCCCCCNCCCCCCCCCCC(=O)O",null,"NCCCCCCNCCCCCCCCCCC(=O)O","NCCCCCCNCCCCCCCCCCC(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5468,1589,"1-LAURYL-4-METHOXYCARBONYL-2-PYRROLIDONE","101881-19-0","CCCCCCCCCCCCN1C(CC(C1)C(=O)OC)=O",null,"CCCCCCCCCCCCN1C(CC(C1)C(=O)OC)=O","CCCCCCCCCCCCN1C(CC(C1)C(=O)OC)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5469,1571,"Pefurazoate","101903-30-4","C=CCCCOC(=O)C(CC)N(Cc1occc1)C(=O)n2cncc2","C=CCCCOC(=O)C(CC)N(Cc1occc1)C(=O)n2cncc2","C=CCCCOC(=O)C(CC)N(Cc1occc1)C(=O)n2cncc2","C=CCCCOC(=O)C(CC)N(Cc1occc1)C(=O)n2cncc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5470,null,"Spiro[benzofuran-2(3H), 1'-[3]cyclohexene]-3,4'-","101919-82-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5471,3467,"7(8H)-Pteridinone, 8-methyl-","102169-81-3","Cn1c2c(ncc1=O)cncn2",null,"Cn1c2c(ncc1=O)cncn2","Cn1c2c(ncc1=O)cncn2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5472,3469,"Pteridine, 2-methoxy-","102170-44-5","COc1nc2c(cn1)nccn2",null,"COc1nc2c(cn1)nccn2","COc1nc2c(cn1)nccn2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5473,3468,"2(1H)-Pteridinone, 1-methyl-","102170-45-6","Cn1c2c(cnc1=O)nccn2",null,"Cn1c2c(cnc1=O)nccn2","Cn1c2c(cnc1=O)nccn2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5474,4186,"Hexanamide, 2-ethyl-5-methyl-","102450-10-2","CCC(CCC(C)C)C(N)=O","CCC(CCC(C)C)C(N)=O",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[5475,4144,"Hexanamide, N-(aminocarbonyl)-2-ethylidene-","102613-33-2","CC=C(CCCC)C(=O)NC(N)=O","CC=C(CCCC)C(=O)NC(N)=O","CC=C(CCCC)C(O)=NC(=N)O","CC=C(CCCC)C(O)=NC(=N)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5476,2518,"Butane, 2-chloro-3-methoxy-","102671-05-6","COC(C)C(C)Cl",null,"COC(C)C(C)Cl","COC(C)C(C)Cl",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5477,323,"Phthalide, 4-bromo-6,7-dimethoxy-","102877-24-7","COc1c(c2c(c(c1)Br)COC2=O)OC",null,"COc1c(c2c(c(c1)Br)COC2=O)OC","COc1c(c2c(c(c1)Br)COC2=O)OC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5478,64,"4-Pteridinol, 6,7-diethyl-","102943-71-5","CCc1c(nc2c(n1)ncnc2O)CC",null,"CCc1c(nc2c(n1)ncnc2O)CC","CCc1c(nc2c(n1)ncnc2O)CC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5479,921,"FENCHLORAZOLE-ETHYL","103112-35-2","CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)-c2c(cc(cc2)Cl)Cl","CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)-c2c(cc(cc2)Cl)Cl","CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)-c2c(cc(cc2)Cl)Cl","CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)-c2c(cc(cc2)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5480,1616,"Flumioxazin","103361-09-7","C#CCN1c2c(OCC1=O)cc(F)c(N3C(C4=C(C3=O)CCCC4)=O)c2","C#CCN1c2c(OCC1=O)cc(F)c(N3C(C4=C(C3=O)CCCC4)=O)c2","C#CCN1c2c(OCC1=O)cc(F)c(N3C(C4=C(C3=O)CCCC4)=O)c2","C#CCN1c2c(OCC1=O)cc(F)c(N3C(C4=C(C3=O)CCCC4)=O)c2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5481,1555,"Hexanedioic acid, 2,2-diphenyl-","103387-44-6","O=C(O)CCCC(C(=O)O)(c1ccccc1)c2ccccc2",null,"O=C(O)CCCC(C(=O)O)(c1ccccc1)c2ccccc2","O=C(O)CCCC(C(=O)O)(c1ccccc1)c2ccccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5482,null,"BUTANOIC ACID, [2-(AMINOCARBONYL)PHENOXY]METHYL","103951-39-9",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5483,null,"O-(Pivaloyloxymethyl)salicylamide","103951-40-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5484,4627,"4H-1,3-Thiazine-4-carboxylic acid, 2-amino-5,6-d","103983-05-7",{"$nulls":3},"NC=1SCCC(N1)C(=O)O",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5485,4536,"ac263,222herbicide","104098-48-8",null,"Cc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O",null,"Cc1cc(c(nc1)C=2NC(C(N2)=O)(C)C(C)C)C(=O)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5486,4440,"TRINEXAPAC","104273-73-6",null,null,"O=C1C(C(CC(C1)C(=O)O)=O)=C(O)C2CC2",null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5487,319,"2-Benzofurancarboxylic acid, 3-methoxy-","104315-56-2","COc1c2c(oc1C(=O)O)cccc2",null,"COc1c2c(oc1C(=O)O)cccc2","COc1c2c(oc1C(=O)O)cccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5488,null,"2-THIOPHENESULFONAMIDE, 5-[(3-HYDROXYPROPYL)THIO","104437-99-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5489,null,"ACETIC ACID, 3-[[5-(AMINOSULFONYL)-2-THIENYL]SUL","104438-04-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5490,1619,"akh-7088","104459-82-7",null,"COCC(=NOCC(=O)OC)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",null,"COCC(=NOCC(=O)OC)c1c(ccc(c1)Oc2c(cc(cc2)C(F)(F)F)Cl)[N+](=O)[O-]",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed, Name verified in PubChem",""]
[5491,null,"Silafluofen","105024-66-6","CCOc1ccc(cc1)[Si](C)(C)CCCc2cc(c(cc2)F)Oc3ccccc3","CCOc1ccc(cc1)[Si](C)(C)CCCc2cc(c(cc2)F)Oc3ccccc3","CCOc1ccc(cc1)[Si](C)(C)CCCc2cc(c(cc2)F)Oc3ccccc3","CCOc1ccc(cc1)[Si](C)(C)CCCc2cc(c(cc2)F)Oc3ccccc3",4,0,0,"NO","NO",null,null,"Eliminate","-","Unusual elements"]
[5492,1469,"CLODINAFOP-PROPARGYL","105512-06-9","C#CCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)F","C#CCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)F","C#CCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)F","C#CCOC(=O)C(C)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5493,1713,"PYRIMIDIFEN","105779-78-0","CCOCCc1c(c(c(cc1)OCCNc2c(c(ncn2)CC)Cl)C)C","CCOCCc1c(c(c(cc1)OCCNc2c(c(ncn2)CC)Cl)C)C","CCOCCc1c(c(c(cc1)OCCN=c2c(c(nc[nH]2)CC)Cl)C)C","CCOCCc1c(c(c(cc1)OCCN=c2c(c(nc[nH]2)CC)Cl)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5494,633,"Valeric acid, 4-(benzamido)-","105900-63-8","CC(CCC(=O)O)NC(=O)c1ccccc1",null,"CC(CCC(=O)O)N=C(O)c1ccccc1","CC(CCC(=O)O)N=C(O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5495,4666,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","105951-31-3",{"$nulls":3},"NS(=O)(=O)c1sc2c(c1)C(CCS2)=O",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5496,null,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","105951-32-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5497,null,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","105951-36-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5498,null,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","105951-71-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5499,2280,"2-BROMO-4-METHYL-5-NITRO-1H-IMIDAZOLE","105983-46-8","Cc1c([nH]c(n1)Br)[N+](=O)[O-]",null,"Cc1c([nH]c(n1)Br)[N+](=O)[O-]","Cc1c([nH]c(n1)Br)[N+](=O)[O-]",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5500,null,"Benzenesulfonamide, o-(3,4-dihydro-4-oxo-2-quina","106038-70-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5501,null,"Purine-7-acetamide, N,N-diethyl-1,2,3,6-tetrahyd","106164-79-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5502,43,"ACETAMIDE, 2-(BENZOYLOXY)-N-METHYL-","106231-50-9","CNC(=O)COC(=O)c1ccccc1",null,"CNC(=O)COC(=O)c1ccccc1","CNC(=O)COC(=O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5503,631,"ACETAMIDE, 2-(BENZOYLOXY)-N-PROPYL-","106231-51-0","CCCNC(=O)COC(=O)c1ccccc1",null,"CCCNC(=O)COC(=O)c1ccccc1","CCCNC(=O)COC(=O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5504,4516,"ACETAMIDE, 2-(BENZOYLOXY)-N-(1,1-DIMETHYLETHYL)-","106231-52-1","CC(C)(C)NC(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5505,4435,"ACETAMIDE, 2-[[(BENZOYLOXY)ACETYL]AMINO]-","106231-53-2","NC(=O)CNC(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5506,400,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-DIMETHYL-","106231-54-3","CN(C)C(=O)COC(=O)c1ccccc1",null,"CN(C)C(=O)COC(=O)c1ccccc1","CN(C)C(=O)COC(=O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5507,1354,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-DIPROPYL-","106231-55-4","CCCN(CCC)C(=O)COC(=O)c1ccccc1",null,"CCCN(CCC)C(=O)COC(=O)c1ccccc1","CCCN(CCC)C(=O)COC(=O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5508,null,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(1-METHYLETHYL)","106231-56-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5509,1518,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-DIBUTYL-","106231-57-6","CCCCN(CCCC)C(=O)COC(=O)c1ccccc1",null,"CCCCN(CCCC)C(=O)COC(=O)c1ccccc1","CCCCN(CCCC)C(=O)COC(=O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5510,4557,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-PROPENYL)-","106231-58-7","C=CCN(CC=C)C(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5511,null,"ACETAMIDE, 2-(BENZOYLOXY)-N-(2-HYDROXYETHYL)-N-M","106231-59-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5512,null,"ACETAMIDE, 2-(BENZOYLOXY)-N-ETHYL-N-(2-HYDROXYET","106231-60-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5513,null,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-HYDROXYETHYL","106231-61-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5514,null,"ACETAMIDE, N-(2-AMINO-2-OXOETHYL)-2-(BENZOYLOXY)","106231-62-3",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5515,null,"GLYCINE, N-[(BENZOYLOXY)ACETYL]-N-METHYL-, ETHYL","106231-63-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5516,4474,"GLYCINE, N-[(BENZOYLOXY)ACETYL]-N-METHYL-","106231-64-5","CN(CC(=O)O)C(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5517,4537,"PIPERIDINE, 1-[(BENZOYLOXY)ACETYL]-","106231-67-8","O=C(OCC(=O)N1CCCCC1)c2ccccc2",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5518,4512,"MORPHOLINE, 4-[(BENZOYLOXY)ACETYL]-","106231-68-9","O=C(OCC(=O)N1CCOCC1)c2ccccc2",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5519,null,"L-PROLINAMIDE,N2-[(BENZOYLOXY)ACETYL]-","106231-69-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5520,null,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","106319-38-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5521,null,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","106319-42-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5522,null,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","106319-44-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5523,null,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","106319-45-3",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5524,null,"5H-THIENO[3,2-B]THIOPYRAN-2-SULFONAMIDE, 6,7-DIH","106319-46-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5525,1468,"BAS 480F","106325-08-0",null,null,"Fc1ccc(cc1)C2(C(O2)c3c(cccc3)Cl)Cn4ncnc4","Fc1ccc(cc1)C2(C(O2)c3c(cccc3)Cl)Cn4ncnc4",2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[5526,null,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","106335-79-9",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5527,null,"4H-THIENO[2,3-B]THIOPYRAN-2-SULFONAMIDE, 5,6-DIH","106400-04-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5528,null,"Sulfanilamide, N1-(4-isobutyl-2-pyrimidinyl)-","106596-34-3","CC(C)Cc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5529,null,"Acetanilide, 4'-(3-pyridazinylsulfamoyl)-","106840-27-1","CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nnccc2",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5530,2698,"Butanoic acid, 2-(formylamino)-","106873-99-8","CCC(NC=O)C(=O)O",null,"CCC(N=CO)C(=O)O","CCC(N=CO)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5531,null,"Sulfanilamide, N1-(4-pentyl-2-pyrimidinyl)-","107203-72-5","CCCCCc1nc(ncc1)NS(=O)(=O)c2ccc(cc2)N",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5532,1441,"TEBUCONAZOLE","107534-96-3","CC(C)(C)C(O)(CCc1ccc(cc1)Cl)Cn2ncnc2","CC(C)(C)C(O)(CCc1ccc(cc1)Cl)Cn2ncnc2","CC(C)(C)C(O)(CCc1ccc(cc1)Cl)Cn2ncnc2","CC(C)(C)C(O)(CCc1ccc(cc1)Cl)Cn2ncnc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5533,null,"Glucopyranoside, propyl, tetranitrate,  -D-","108018-38-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5534,3690,"BENZENESULFONAMIDE, 4-[(2-HYDROXYETHYL)THIO]-","108966-48-9","NS(=O)(=O)c1ccc(cc1)SCCO",null,"NS(=O)(=O)c1ccc(cc1)SCCO","NS(=O)(=O)c1ccc(cc1)SCCO",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5535,4675,"BENZENESULFONAMIDE, 4-[(2-HYDROXYETHYL)SULFONYL]","108966-49-0",{"$nulls":3},"NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCO",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5536,4119,"BENZENESULFONAMIDE, 4-[(3-HYDROXYPROPYL)THIO]-","108966-51-4","NS(=O)(=O)c1ccc(cc1)SCCCO",null,"NS(=O)(=O)c1ccc(cc1)SCCCO","NS(=O)(=O)c1ccc(cc1)SCCCO",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5537,4450,"BENZENESULFONAMIDE, 4-[3-HYDROXY-3-METHYLBUTYL)T","108966-53-6",{"$nulls":3},"CC(C)(O)CCSc1ccc(cc1)S(N)(=O)=O",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5538,460,"BENZENESULFONAMIDE, 4-[(5-HYDROXYPENTYL)THIO]-","108966-54-7","NS(=O)(=O)c1ccc(cc1)SCCCCCO",null,"NS(=O)(=O)c1ccc(cc1)SCCCCCO","NS(=O)(=O)c1ccc(cc1)SCCCCCO",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5539,4710,"BENZENESULFONAMIDE, 4-[(3-HYDROXYPROPYL)SULFONYL","108966-55-8",{"$nulls":3},"NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCO",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5540,4451,"BENZENESULFONAMIDE, 4-[3-HYDROXY-3-METHYLBUTYL)S","108966-56-9",{"$nulls":3},"CC(C)(O)CCS(=O)(=O)c1ccc(cc1)S(N)(=O)=O",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5541,4672,"BENZENESULFONAMIDE, 4-[(2-HYDROXYETHYL)THIO]-3-N","108966-58-1",{"$nulls":3},"NS(=O)(=O)c1cc(c(cc1)SCCO)[N+](=O)[O-]",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5542,null,"BENZENESULFONAMIDE, 4-[(3-HYDROXYPROPYL)THIO]-3-","108966-59-2","NS(=O)(=O)c1c(cccc1)SCCCO",null,null,"NS(=O)(=O)c1cc(c(cc1)SCCCO)[N+](=O)[O-]",0,2,2,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5543,null,"BENZOIC ACID, 5-(AMINOSULFONYL)-2-[(3-HYDROXYPRO","108966-66-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5544,null,"BENZOIC ACID, 5-(AMINOSULFONYL)-2-[(3-HYDROXYPRO","108966-67-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5545,4670,"BENZENESULFONAMIDE, 3-FLUORO-4-[(2-HYDROXYETHYL)","108966-70-7",{"$nulls":3},"NS(=O)(=O)c1cc(c(cc1)SCCO)F",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5546,4704,"BENZENESULFONAMIDE, 3-FLUORO-4-[(3-HYDROXYPROPYL","108966-74-1",{"$nulls":3},"NS(=O)(=O)c1cc(c(cc1)SCCCO)F",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5547,4404,"BENZENESULFONAMIDE, 3-FLUORO-4-[(4-HYDROXYBUTYL)","108966-75-2",{"$nulls":3},"NS(=O)(=O)c1cc(c(cc1)SCCCCO)F",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5548,4671,"BENZENESULFONAMIDE, 3-FLUORO-4-[(2-HYDROXYETHYL)","108966-76-3",{"$nulls":3},"NS(=O)(=O)c1cc(c(cc1)S(=O)(=O)CCO)F",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5549,4705,"BENZENESULFONAMIDE, 3-FLUORO-4-[(3-HYDROXYPROPYL","108966-77-4",{"$nulls":3},"NS(=O)(=O)c1cc(c(cc1)S(=O)(=O)CCCO)F",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5550,null,"Benzenesulfonamide, 3-fluoro-4-[(4-hydroxybutyl)","108966-78-5",{"$nulls":3},"NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCCO",1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5551,4685,"Hexanedioic acid, 2,5-dihydroxy-2,5-dimethyl-","108967-69-7","CC(O)(CCC(C)(O)C(=O)O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5552,687,"4-Pyrimidinamine, 5-ethyl-2,6-dipropyl-","109217-08-5","CCCc1nc(c(c(n1)N)CC)CCC",null,"CCCc1[nH]c(c(c(n1)CCC)CC)=N","CCCc1[nH]c(c(c(n1)CCC)CC)=N",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5553,4551,"bas65400h","109293-97-2",null,"CC(=NNC(=O)Nc1cc(cc(c1)F)F)c2c(cccn2)C(=O)O",null,"CC(=NNC(=O)Nc1cc(cc(c1)F)F)c2c(cccn2)C(=O)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[5554,1269,"Benzoic acid, o-phthalidyl-","109407-76-3","O=C(O)c1c(cccc1)C2c3c(C(O2)=O)cccc3",null,"O=C(O)c1c(cccc1)C2c3c(C(O2)=O)cccc3","O=C(O)c1c(cccc1)C2c3c(C(O2)=O)cccc3",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5555,1594,"Azacyclononadecan-2-one","109643-95-0","O=C1NCCCCCCCCCCCCCCCCC1",null,"OC=1CCCCCCCCCCCCCCCCCN1","OC=1CCCCCCCCCCCCCCCCCN1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5556,null,"Glucopyranoside, butyl, tetranitrate,  -D-","110056-75-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5557,4399,"ACETAMIDE, N-[6,9-DIHYDRO-9-[(2-HYDROXYETHOXY)ME","110104-37-5",{"$nulls":3},"CC(=O)Nc1[nH]c2c(c(n1)=O)ncn2COCCO",1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on ChemID, Manual Check passed",""]
[5558,1141,"MEPANIPYRIM","110235-47-7","CC#Cc1nc(nc(c1)C)Nc2ccccc2","CC#Cc1nc(nc(c1)C)Nc2ccccc2","CC#Cc1nc(nc(c1)C)Nc2ccccc2","CC#Cc1nc(nc(c1)C)Nc2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5559,1481,"PENTOXAZONE","110956-75-7",null,null,"CC(C)=C1C(N(C(O1)=O)c2c(cc(c(c2)OC3CCCC3)Cl)F)=O","CC(C)=C1C(N(C(O1)=O)c2c(cc(c(c2)OC3CCCC3)Cl)F)=O",2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[5560,3691,"(2,4-dimethylphenyl)phosphonic acid","111192-85-9","Cc1cc(c(cc1)P(=O)(O)O)C",null,"Cc1cc(c(cc1)P(=O)(O)O)C","Cc1cc(c(cc1)P(=O)(O)O)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5561,1780,"PROPAQUIZAFOP","111479-05-1","CC(C)=NOCCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3","CC(C)=NOCCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3","CC(C)=NOCCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3","CC(C)=NOCCOC(=O)C(C)Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5562,1799,"Metobenzuron","111578-32-6",null,null,"CON(C)C(=O)Nc1ccc(cc1)Oc2cc3c(cc2)C(CC(O3)(C)OC)(C)C","CON(C)C(=O)Nc1ccc(cc1)Oc2cc3c(cc2)C(CC(O3)(C)OC)(C)C",2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[5563,null,"1-Heptanol, 2-methyl-, (.+-.)-","111675-77-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5564,null,"1-Heptanol, 4-methyl-, (+-)","111692-63-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5565,null,"1-Heptanol, 3-methyl-, (.+-.)-","111767-94-3",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5566,null,"1-Heptanol, 5-methyl-, (.+-.)-","111767-95-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5567,null,"1-Naphthalenesulfonic acid, 8-(2-hydroxy-1-napht","111797-49-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5568,1842,"Fenpyroximate","111812-58-9","Cc1c(c(n(n1)C)Oc2ccccc2)C=NOCc3ccc(cc3)C(=O)OC(C)(C)C","Cc1c(c(n(n1)C)Oc2ccccc2)C=NOCc3ccc(cc3)C(=O)OC(C)(C)C","Cc1c(c(n(n1)C)Oc2ccccc2)C=NOCc3ccc(cc3)C(=O)OC(C)(C)C","Cc1c(c(n(n1)C)Oc2ccccc2)C=NOCc3ccc(cc3)C(=O)OC(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5569,1839,"Halfenprox","111872-58-3","CC(C)(COCc1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)(F)Br","CC(C)(COCc1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)(F)Br","CC(C)(COCc1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)(F)Br","CC(C)(COCc1cc(ccc1)Oc2ccccc2)c3ccc(cc3)OC(F)(F)Br",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5570,1067,"Triazamate","112143-82-5","CCOC(=O)CSc1n(nc(n1)C(C)(C)C)C(=O)N(C)C","CCOC(=O)CSc1n(nc(n1)C(C)(C)C)C(=O)N(C)C","CCOC(=O)CSc1n(nc(n1)C(C)(C)C)C(=O)N(C)C",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5571,1556,"HALOFENOZIDE","112226-61-6","CC(C)(C)N(NC(=O)c1ccc(cc1)Cl)C(=O)c2ccccc2","CC(C)(C)N(NC(=O)c1ccc(cc1)Cl)C(=O)c2ccccc2","CC(C)(C)N(NC(=O)c1ccc(cc1)Cl)C(=O)c2ccccc2","CC(C)(C)N(NC(=O)c1ccc(cc1)Cl)C(=O)c2ccccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5572,1797,"TEBUFENOZIDE","112410-23-8","CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C","CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C","CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C","CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5573,null,"Cyclanilide","113136-77-9","O=C(O)C1C(C1)C(=O)Nc2c(cc(cc2)Cl)Cl","O=C(O)C1C(C1)C(=O)Nc2c(cc(cc2)Cl)Cl","O=C(O)C1(CC1)C(=O)Nc2c(cc(cc2)Cl)Cl","O=C(O)C1(CC1)C(=O)Nc2c(cc(cc2)Cl)Cl",2,2,0,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5574,1387,"FENOXAPROP-P","113158-40-0","CC(Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3)C(=O)O","CC(Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3)C(=O)O","CC(Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3)C(=O)O","CC(Oc1ccc(cc1)Oc2oc3c(n2)ccc(Cl)c3)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5575,null,"Lumazine, 6,7-diethyl-","113222-29-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5577,null,"Benzenesulfonamide, 3-amino-4-[(4-aminophenyl)su","113597-77-6",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5578,null,"Benzenesulfonamide, 4-[(4-aminophenyl)sulfonyl]-","113597-78-7","Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)S(N)(=O)=O",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5579,1346,"Imazamox","114311-32-9","COCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O","COCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O","COCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O","COCc1cc(c(nc1)C=2NC(C(N2)(C)C(C)C)=O)C(=O)O",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5580,1626,"Fenbuconazole","114369-43-6","N#CC(CCc1ccc(cc1)Cl)(Cn2ncnc2)c3ccccc3","N#CC(CCc1ccc(cc1)Cl)(Cn2ncnc2)c3ccccc3","N#CC(CCc1ccc(cc1)Cl)(Cn2ncnc2)c3ccccc3","N#CC(CCc1ccc(cc1)Cl)(Cn2ncnc2)c3ccccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5581,2721,"2-Oxetanone, 3-ethyl-4-methyl-, (3S-trans)-","114592-79-9","CCC1C(OC1=O)C",null,"CCC1C(OC1=O)C","CCC1C(OC1=O)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[5582,405,"BENZOIC ACID, 2-HYDROXY-, 2-(DIMETHYLAMINO)-2-OX","114665-08-6",null,null,"CN(C)C(=O)COC(=O)c1c(cccc1)O","CN(C)C(=O)COC(=O)c1c(cccc1)O",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[5583,634,"BENZOIC ACID, 2-HYDROXY-, 2-[(2-HYDROXYETHYL)MET","114665-09-7",null,null,"CN(CCO)C(=O)COC(=O)c1c(cccc1)O","CN(CCO)C(=O)COC(=O)c1c(cccc1)O",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[5584,null,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-HYDROXYPROPY","115178-63-7",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5585,null,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-METHOXYETHYL","115178-64-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5586,4472,"AZETIDINE, 1-[BENZOYLOXY(ACETYL)]-","115178-66-0","O=C(OCC(=O)N1CCC1)c2ccccc2",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5587,4560,"1H-AZEPINE, HEXAHYDRO-1-[(BENZOYLOXY)ACETYL]-","115178-68-2","O=C(OCC(=O)N1CCCCCC1)c2ccccc2",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5588,4538,"4-PIPERIDINOL, 1-[(BENZOYLOXY)ACETYL]-","115178-71-7","O=C(OCC(=O)N1CCC(CC1)O)c2ccccc2",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5589,null,"2-AZETIDINECARBOXYLIC ACID, 1-[(BENZOYLOXY)ACETY","115178-74-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5590,1159,"L-PROLINE, N-[(BENZOYLOXY)ACETYL]-","115178-75-1","O=C(OCC(=O)N1C(CCC1)C(=O)O)c2ccccc2",null,"O=C(OCC(=O)N1C(CCC1)C(=O)O)c2ccccc2","O=C(OCC(=O)N1C(CCC1)C(=O)O)c2ccccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[5591,1330,"L-PROLINE, N-[(BENZOYLOXY)ACETYL]-, METHYL ESTER","115178-76-2","COC(=O)C1N(CCC1)C(=O)COC(=O)c2ccccc2",null,"COC(=O)C1N(CCC1)C(=O)COC(=O)c2ccccc2","COC(=O)C1N(CCC1)C(=O)COC(=O)c2ccccc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[5592,630,"PROPANAMIDE, 3-(BENZOYLOXY)-N,N-DIMETHYL-","115178-77-3","CN(C)C(=O)CCOC(=O)c1ccccc1",null,"CN(C)C(=O)CCOC(=O)c1ccccc1","CN(C)C(=O)CCOC(=O)c1ccccc1",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5593,4517,"BUTANAMIDE, 4-(BENZOYLOXY)-N,N-DIMETHYL-","115178-78-4","CN(C)C(=O)CCCOC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5594,null,"PROPANAMIDE, 2-(BENZOYLOXY)-N,N-DIETHYL-, (ñ)-","115178-79-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5595,4473,"ACETAMIDE, N-ACETYL-2-(BENZOYLOXY)-N-METHYL-","115178-80-8","CC(=O)N(C)C(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5596,4483,"ACETAMIDE, 2-(BENZOYLOXY)-N-(1-METHYLETHYL)-","115193-27-6","CC(C)NC(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5597,4518,"ACETAMIDE, 2-(BENZOYLOXY)-N-BUTYL-","115193-28-7","CCCCNC(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5598,4561,"ACETAMIDE, 2-(BENZOYLOXY)-N-HEXYL-","115193-29-8","CCCCCCNC(=O)COC(=O)c1ccccc1",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5599,4476,"PROPANAMIDE, 2-[[(BENZOYLOXY)ACETYL]AMINO]-","115193-30-1","CC(NC(=O)COC(=O)c1ccccc1)C(N)=O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5600,null,"ACETAMIDE, 2-(BENZOYLOXY)-N-[2-HYDROXY-1,1-BIS(H","115193-31-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5601,null,"ACETAMIDE, 2-(BENZOYLOXY)-N,N-BIS(2-METHYLPROPYL","115193-33-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5602,471,"1-HEXYL-4-CARBOXY-2-PYRROLIDONE","116167-27-2","CCCCCCN1C(CC(C1)C(=O)O)=O",null,null,"CCCCCCN1C(CC(C1)C(=O)O)=O",2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[5603,997,"BROMUCONAZOLE","116255-48-2","Clc1cc(c(cc1)C2(OCC(C2)Br)Cn3ncnc3)Cl","Clc1cc(c(cc1)C2(OCC(C2)Br)Cn3ncnc3)Cl","Clc1cc(c(cc1)C2(OCC(C2)Br)Cn3ncnc3)Cl","Clc1cc(c(cc1)C2(OCC(C2)Br)Cn3ncnc3)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5604,null,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(DIETHYLAMINO)-2","116482-56-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5605,null,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(DIPROPYLAMINO)-","116482-75-8","CCCN(CCC)C1(C(C=CC=C1)C(=O)O)OC(C)=O",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5606,null,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-[BIS(1-METHYLETH","116482-76-9",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5607,null,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-[(2-ETHOXY-2-OXO","116482-77-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5608,null,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(4-MORPHOLINYL)-","116482-80-5","CC(=O)OC1(C(C=CC=C1)C(=O)O)N2CCOCC2",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5609,1533,"Novaluron","116714-46-6","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)OC(F)(F)C(F)OC(F)(F)F)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)OC(F)(F)C(F)OC(F)(F)F)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)OC(F)(F)C(F)OC(F)(F)F)Cl","O=C(NC(=O)c1c(cccc1F)F)Nc2cc(c(cc2)OC(F)(F)C(F)OC(F)(F)F)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5610,2910,"sec-Butyl Ethylamine","116724-10-8","CCNC(C)CC","CCNC(C)CC",null,null,2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[5611,1044,"DL-lysine, N2-benzoyl-","116783-33-6","NCCCCC(NC(=O)c1ccccc1)C(=O)O",null,"NCCCCC(N=C(O)c1ccccc1)C(=O)O","NCCCCC(N=C(O)c1ccccc1)C(=O)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[5612,null,"Malic acid, S-ethyl dithiocarbonate","116977-37-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5613,1306,"Fluthiacet-methyl","117337-19-6","COC(=O)CSc1c(cc(c(c1)N=c2n3n(c(s2)=O)CCCC3)F)Cl","COC(=O)CSc1c(cc(c(c1)N=c2n3n(c(s2)=O)CCCC3)F)Cl","COC(=O)CSc1c(cc(c(c1)N=c2n3n(c(s2)=O)CCCC3)F)Cl","COC(=O)CSc1c(cc(c(c1)N=c2n3n(c(s2)=O)CCCC3)F)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5614,2745,"L-Altraric acid","117468-79-8","O=C(O)C(O)C(O)C(O)C(O)C(=O)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Checked on PubChem, Manual Check passed","1995"]
[5615,null,"Glucopyranoside, ethyl, tetranitrate,  -D-","117608-69-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5616,1419,"Thiazopyr","117718-60-2","COC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C=2SCCN2)CC(C)C","COC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C=2SCCN2)CC(C)C","COC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C=2SCCN2)CC(C)C","COC(=O)c1c(c(c(nc1C(F)F)C(F)(F)F)C=2SCCN2)CC(C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5617,1595,"kwg4168","118134-30-8",null,"CCCN(CC)CC1OC2(OC1)CCC(CC2)C(C)(C)C",null,"CCCN(CC)CC1OC2(OC1)CCC(CC2)C(C)(C)C",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[5618,4002,"Benzeneethanol, 4-hydroxy-3-nitro-","118172-64-8","O=[N+]([O-])c1c(ccc(c1)CCO)O",null,"O=[N+]([O-])c1c(ccc(c1)CCO)O","O=[N+]([O-])c1c(ccc(c1)CCO)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5619,null,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(ETHYLAMINO)-2-O","118247-01-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5620,null,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-[(2-AMINO-2-OXOE","118247-02-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5621,null,"GLYCINE, N-[[[2-(ACETYLOXY)BENZOYL]OXY]ACETYL]-,","118247-03-3",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5622,null,"BENZOIC ACID, 2-(ACETYLOXY)-, 2-(DIMETHYLAMINO)-","118247-04-4","CC(=O)OC1(C(C=CC=C1)C(=O)O)N(C)C",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5623,1172,"BENZOIC ACID, 2-(ACETYLOXY)-, (1-OXOBUTOXY)METHY","118247-07-7",null,null,"CCCC(=O)OCOC(=O)c1c(cccc1)OC(C)=O","CCCC(=O)OCOC(=O)c1c(cccc1)OC(C)=O",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[5624,4315,"1(3H)-Isobenzofuranone, 6-amino-3-methyl-","118343-31-0","CC1c2c(C(O1)=O)cc(N)cc2",null,"CC1c2c(C(O1)=O)cc(N)cc2","CC1c2c(C(O1)=O)cc(N)cc2",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5625,1282,"Transfluthrin","118712-89-3","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2c(c(cc(c2F)F)F)F)C","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2c(c(cc(c2F)F)F)F)C","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2c(c(cc(c2F)F)F)F)C","CC1(C(C1C=C(Cl)Cl)C(=O)OCc2c(c(cc(c2F)F)F)F)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5626,null,"D-Glucose, 1-(carbamoylimino)-1-deoxy-","118923-30-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5627,567,"2-THIOPHENESULFONAMIDE, 4-(4-METHOXYBENZOYL)-","118976-97-9","COc1ccc(cc1)C(=O)c2cc(sc2)S(N)(=O)=O",null,"COc1ccc(cc1)C(=O)c2cc(sc2)S(N)(=O)=O","COc1ccc(cc1)C(=O)c2cc(sc2)S(N)(=O)=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5628,4455,"2-THIOPHENESULFONAMIDE, 4-(4-HYDROXYBENZOYL)-","118993-57-0","NS(=O)(=O)c1scc(c1)C(=O)c2ccc(cc2)O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on PubChem, Manual Check passed",""]
[5629,4460,"2-FURANSULFONAMIDE, 4-(4-METHOXYBENZOYL)-","118993-61-6","COc1ccc(cc1)C(=O)c2cc(oc2)S(N)(=O)=O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on PubChem, Manual Check passed",""]
[5630,4458,"2-THIOPHENESULFONAMIDE, 4-(4-METHYLBENZOYL)-","119018-06-3","Cc1ccc(cc1)C(=O)c2cc(sc2)S(N)(=O)=O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Checked on PubChem, Manual Check passed",""]
[5631,1610,"Flupoxam","119126-15-7","NC(=O)c1nn(c(n1)-c2ccccc2)-c3cc(c(cc3)Cl)COCC(F)(F)C(F)(F)F","NC(=O)c1nn(c(n1)-c2ccccc2)-c3cc(c(cc3)Cl)COCC(F)(F)C(F)(F)F","NC(=O)c1nn(c(n1)-c2ccccc2)-c3cc(c(cc3)Cl)COCC(F)(F)C(F)(F)F","NC(=O)c1nn(c(n1)-c2ccccc2)-c3cc(c(cc3)Cl)COCC(F)(F)C(F)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5632,1573,"Tebufenpyrad","119168-77-3","CCc1c(c(n(n1)C)C(=O)NCc2ccc(cc2)C(C)(C)C)Cl","CCc1c(c(n(n1)C)C(=O)NCc2ccc(cc2)C(C)(C)C)Cl","CCc1c(c(n(n1)C)C(=O)NCc2ccc(cc2)C(C)(C)C)Cl","CCc1c(c(n(n1)C)C(=O)NCc2ccc(cc2)C(C)(C)C)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5633,1623,"Difenoconazole","119446-68-3","CC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Oc4ccc(cc4)Cl)Cl","CC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Oc4ccc(cc4)Cl)Cl","CC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Oc4ccc(cc4)Cl)Cl","CC1OC(OC1)(Cn2ncnc2)c3c(cc(cc3)Oc4ccc(cc4)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5634,null,"2-THIOPHENESULFONAMIDE, 4-[(4-METHOXYPHENYL)SULF","119731-18-9",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5635,1779,"QUIZALOFOP-P-TEFURYL","119738-06-6","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)OCC4OCCC4","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)OCC4OCCC4","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)OCC4OCCC4","CC(Oc1ccc(cc1)Oc2nc3c(nc2)cc(Cl)cc3)C(=O)OCC4OCCC4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5636,763,"Fipronil","120068-37-3","N#Cc1c(c(n(n1)-c2c(cc(cc2Cl)C(F)(F)F)Cl)N)S(=O)C(F)(F)F","N#Cc1c(c(n(n1)-c2c(cc(cc2Cl)C(F)(F)F)Cl)N)S(=O)C(F)(F)F","N#Cc1c(c(n(n1)-c2c(cc(cc2Cl)C(F)(F)F)Cl)N)S(=O)C(F)(F)F",null,3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5637,1028,"Azimsulfuron","120162-55-2","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n(ncc2-c3nn(nn3)C)C","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n(ncc2-c3nn(nn3)C)C","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n(ncc2-c3nn(nn3)C)C","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n(ncc2-c3nn(nn3)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5638,426,"NITENPYRAM","120738-89-8","CCN(Cc1cnc(cc1)Cl)C(=C[N+](=O)[O-])NC",null,"CCN(Cc1cnc(cc1)Cl)C(=C[N+](=O)[O-])NC","CCN(Cc1cnc(cc1)Cl)C(=C[N+](=O)[O-])NC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[5639,1696,"FENAZAQUIN","120928-09-8","CC(C)(C)c1ccc(cc1)CCOc2c3c(ncn2)cccc3","CC(C)(C)c1ccc(cc1)CCOc2c3c(ncn2)cccc3","CC(C)(C)c1ccc(cc1)CCOc2c3c(ncn2)cccc3","CC(C)(C)c1ccc(cc1)CCOc2c3c(ncn2)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5640,149,"3-p-anisidino-propane-1,2-diol","121082-77-7","COc1ccc(cc1)NCC(O)CO",null,"COc1ccc(cc1)NCC(O)CO","COc1ccc(cc1)NCC(O)CO",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5641,4532,"cga219417(cyprodinil)","121552-61-2",null,"Cc1nc(nc(c1)C2CC2)Nc3ccccc3",null,"Cc1nc(nc(c1)C2CC2)Nc3ccccc3",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5642,388,"Furilazole","121776-33-8",null,"CC1(N(CC(O1)c2occc2)C(=O)C(Cl)Cl)C","CC1(N(CC(O1)c2occc2)C(=O)C(Cl)Cl)C","CC1(N(CC(O1)c2occc2)C(=O)C(Cl)Cl)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5644,null,"2H-1,2,3-Triazole-4-carboxylic acid, 5-(2-carbox","122510-85-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5645,1138,"IMAZOSULFURON","122548-33-8","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n3c(nc2Cl)cccc3","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c2n3c(nc2Cl)cccc3","COc1nc(nc(c1)OC)N=C(O)NS(=O)(=O)c2n3c(nc2Cl)cccc3","COc1nc(nc(c1)OC)N=C(O)NS(=O)(=O)c2n3c(nc2Cl)cccc3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5646,3151,"L-Asparagine, N2-(chloroacetyl)-","122723-93-7","NC(=O)CC(NC(=O)CCl)C(=O)O",null,null,"NC(=O)CC(NC(=O)CCl)C(=O)O",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed, Checked on PubChem",""]
[5647,1178,"RIMSULFURON","122931-48-0","CCS(=O)(=O)c1c(nccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC","CCS(=O)(=O)c1c(nccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC","CCS(=O)(=O)c1c(nccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC","CCS(=O)(=O)c1c(nccc1)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5648,627,"4-Piperidinol, benzoate (ester)","123202-89-1",null,null,"O=C(OC1CCNCC1)c2ccccc2","O=C(OC1CCNCC1)c2ccccc2",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[5649,37,"Pymetrozine","123312-89-0","CC=1CN(C(NN1)=O)N=Cc2cnccc2","CC=1CN(C(NN1)=O)N=Cc2cnccc2","CC=1CN(C(NN1)=O)N=Cc2cnccc2","CC=1CN(C(NN1)=O)N=Cc2cnccc2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5650,2824,"Hexanal, 5-hydroxy-, (R)-","123411-56-3","CC(O)CCCC=O",null,"CC(O)CCCC=O","CC(O)CCCC=O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[5651,1059,"Heptanoic acid, 7-benzenesulfonylamino","123469-53-4",null,null,"O=C(O)CCCCCCNS(=O)(=O)c1ccccc1","O=C(O)CCCCCCNS(=O)(=O)c1ccccc1",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[5652,4482,"Phthalic acid, 3,4-dimethoxy-, 2-ethyl ester","123796-70-3","CCOC(=O)c1c(c(c(cc1)OC)OC)C(=O)O",null,null,"CCOC(=O)c1c(c(c(cc1)OC)OC)C(=O)O",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5653,1381,"Quinoline, 5,7-dichloro-4-(4-fluorophenoxy)-","124495-18-7","Fc1ccc(cc1)Oc2c3c(ncc2)cc(Cl)cc3Cl","Fc1ccc(cc1)Oc2c3c(ncc2)cc(Cl)cc3Cl","Fc1ccc(cc1)Oc2c3c(ncc2)cc(Cl)cc3Cl","Fc1ccc(cc1)Oc2c3c(ncc2)cc(Cl)cc3Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5654,1511,"METCONAZOLE","125116-23-6","CC1(C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C","CC1(C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C","CC1(C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C","CC1(C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5655,1572,"IPCONAZOLE","125225-28-7",null,"CC(C)C1C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3","CC(C)C1C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3","CC(C)C1C(C(CC1)Cc2ccc(cc2)Cl)(O)Cn3ncnc3",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5656,1444,"Cafenstrole","125306-83-4","CCN(CC)C(=O)n1nc(nc1)S(=O)(=O)c2c(cc(cc2C)C)C","CCN(CC)C(=O)n1nc(nc1)S(=O)(=O)c2c(cc(cc2C)C)C","CCN(CC)C(=O)n1nc(nc1)S(=O)(=O)c2c(cc(cc2C)C)C","CCN(CC)C(=O)n1nc(nc1)S(=O)(=O)c2c(cc(cc2C)C)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5657,38,"2-Butenamide, N-(4-hydroxyphenyl)-","125349-99-7","CC=CC(=O)Nc1ccc(cc1)O",null,"CC=CC(=O)Nc1ccc(cc1)O","CC=CC(=O)Nc1ccc(cc1)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5658,null,"Spiro[benzofuran-2(3H),1'-[2]cyclhexene-3,4'-dio","125644-63-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5659,3707,"Butanamide, N-(aminocarbonyl)-2-cyano-2-ethyl-","126245-49-6","CCC(C#N)(CC)C(=O)NC(N)=O",null,"CCC(C#N)(CC)C(O)=NC(=N)O","CCC(C#N)(CC)C(O)=NC(=N)O",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5660,1337,"Ethoxysulfuron","126801-58-9","CCOc1c(cccc1)OS(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",null,"CCOc1c(cccc1)OS(=O)(=O)NC(O)=Nc2nc(cc(n2)OC)OC","CCOc1c(cccc1)OS(=O)(=O)NC(O)=Nc2nc(cc(n2)OC)OC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5661,null,"KTU 3616 (BR enantiomer)","127640-90-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5662,null,"2-THIOPHENESULFONAMIDE, 4-[(4-METHYLPHENYL)SULFO","128348-32-3",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5663,null,"2-FURANSULFONAMIDE, 4-[(4-METHYLPHENYL)SULFONYL]","128348-34-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5664,null,"2-FURANSULFONAMIDE, 4-[(4-METHOXYPHENYL)SULFONYL","128348-35-6",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5665,null,"2-THIOPHENESULFONAMIDE, 4-[(4-HYDROXYPHENYL)SULF","128348-42-5",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5666,null,"2-THIOPHENESULFONAMIDE, 4-[(3-HYDROXYPHENYL)SULF","128348-43-6",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5667,null,"2-FURANSULFONAMIDE, 4-[(4-HYDROXYPHENYL)SULFONYL","128348-44-7",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5668,1298,"Carfentrazone-ethyl","128639-02-1","CCOC(=O)C(Cl)Cc1c(cc(c(c1)-n2c(n(c(n2)C)C(F)F)=O)F)Cl","CCOC(=O)C(Cl)Cc1c(cc(c(c1)-n2c(n(c(n2)C)C(F)F)=O)F)Cl","CCOC(=O)C(Cl)Cc1c(cc(c(c1)-n2c(n(c(n2)C)C(F)F)=O)F)Cl","CCOC(=O)C(Cl)Cc1c(cc(c(c1)-n2c(n(c(n2)C)C(F)F)=O)F)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5669,null,"1,2-Benzenedicarboxylic acid, 3,4-dimethoxy-, 2-","128823-80-3",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5670,982,"Clofencet","129025-54-3","CCc1n(ncc(c1C(=O)O)=O)-c2ccc(cc2)Cl","CCc1n(ncc(c1C(=O)O)=O)-c2ccc(cc2)Cl","CCc1n(ncc(c1C(=O)O)=O)-c2ccc(cc2)Cl","CCc1n(ncc(c1C(=O)O)=O)-c2ccc(cc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5671,null,"N - (2 - CHLOROETHYL) - N - NITROSO - N' - [2 -","129085-57-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5672,null,"[[3-[[[(2-CHLOROETHYL) NITROSOAMINO] CARBONYL] A","129085-58-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5673,4558,"SSF-109 FUNGICIDE","129586-32-9",null,"OC1(C(CCCCC1)n2ncnc2)c3ccc(cc3)Cl",null,null,1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5674,null,"PYRAFLUFEN-ETHYL","129630-17-7","CCOC(=O)COc1c(cc(c(c1)-c2c(c(n(n2)C)OC(F)F)Cl)F)Cl",null,"CCOC(=O)COc1c(cc(c(c1)-c2c(c(n(n2)C)OC(F)F)Cl)F)Cl","Cn1c(c(c(n1)-c2c(cc(c(c2)OCC(=O)O)Cl)F)Cl)OC(F)F",2,1,1,"NO","YES",null,null,"Eliminate","-","Missing/ambiguous"]
[5675,1082,"Thifluzamide","130000-40-7",null,"Cc1sc(c(n1)C(F)(F)F)C(=O)Nc2c(cc(cc2Br)OC(F)(F)F)Br","Cc1sc(c(n1)C(F)(F)F)C(O)=Nc2c(cc(cc2Br)OC(F)(F)F)Br","Cc1sc(c(n1)C(F)(F)F)C(O)=Nc2c(cc(cc2Br)OC(F)(F)F)Br",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5676,1315,"DIFLUMETORIM","130339-07-0",null,null,"CCC(Nc1c(c(ncn1)C)Cl)c2ccc(cc2)OC(F)F","CCC(Nc1c(c(ncn1)C)Cl)c2ccc(cc2)OC(F)F",2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[5677,862,"FLUDIOXONIL","131341-86-1","N#Cc1c(c[nH]c1)-c2c3c(ccc2)OC(O3)(F)F","N#Cc1c(c[nH]c1)-c2c3c(ccc2)OC(O3)(F)F","N#Cc1c(c[nH]c1)-c2c3c(ccc2)OC(O3)(F)F","N#Cc1c(c[nH]c1)-c2c3c(ccc2)OC(O3)(F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5678,1772,"Famoxadone","131807-57-3","CC1(C(N(C(O1)=O)Nc2ccccc2)=O)c3ccc(cc3)Oc4ccccc4","CC1(C(N(C(O1)=O)Nc2ccccc2)=O)c3ccc(cc3)Oc4ccccc4","CC1(C(N(C(O1)=O)Nc2ccccc2)=O)c3ccc(cc3)Oc4ccccc4","CC1(C(N(C(O1)=O)Nc2ccccc2)=O)c3ccc(cc3)Oc4ccccc4",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5679,1770,"Azoxystrobin","131860-33-8","COC=C(C(=O)OC)c1c(cccc1)Oc2ncnc(c2)Oc3c(cccc3)C#N","COC=C(C(=O)OC)c1c(cccc1)Oc2ncnc(c2)Oc3c(cccc3)C#N","COC=C(C(=O)OC)c1c(cccc1)Oc2ncnc(c2)Oc3c(cccc3)C#N","COC=C(C(=O)OC)c1c(cccc1)Oc2ncnc(c2)Oc3c(cccc3)C#N",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5680,1497,"Triticonazole","131983-72-7","CC1(C(C(CC1)=Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C","CC1(C(C(CC1)=Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C","CC1(C(C(CC1)=Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C","CC1(C(C(CC1)=Cc2ccc(cc2)Cl)(O)Cn3ncnc3)C",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5681,1691,"INDANOFAN","133220-30-1",null,null,"CCC1(C(c2c(C1=O)cccc2)=O)CC3(OC3)c4cc(ccc4)Cl","CCC1(C(c2c(C1=O)cccc2)=O)CC3(OC3)c4cc(ccc4)Cl",2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[5682,null,"ssf-126","133408-50-1",null,"CNC(=O)C(=NOC)c1c(cccc1)Oc2ccccc2",null,"CN=C(O)C(=NOC)c1c(cccc1)Oc2ccccc2",2,0,2,"NO","NO",2,0,"Eliminate","-","Stereochemistry removed, Manual Check failed"]
[5683,3889,"CGA 245704","135158-54-2","CSC(=O)c1c2c(ccc1)nns2","CSC(=O)c1c2c(ccc1)nns2","CSC(=O)c1c2c(ccc1)nns2","CSC(=O)c1c2c(ccc1)nns2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5684,24,"ACETAMIPRID","135410-20-7","CC(=NC#N)N(C)Cc1cnc(cc1)Cl","CC(=NC#N)N(C)Cc1cnc(cc1)Cl","CC(=NC#N)N(C)Cc1cnc(cc1)Cl","CC(=NC#N)N(C)Cc1cnc(cc1)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5685,1421,"Mefenpyr-diethyl","135590-91-9","CCOC(=O)C=1CC(N(N1)c2c(cc(cc2)Cl)Cl)(C)C(=O)OCC",null,"CCOC(=O)C=1CC(N(N1)c2c(cc(cc2)Cl)Cl)(C)C(=O)OCC","CCOC(=O)C=1CC(N(N1)c2c(cc(cc2)Cl)Cl)(C)C(=O)OCC",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability",null,""]
[5686,null,"2-THIOPHENESULFONAMIDE, 5-[(4-HYDROXYBUTYL)THIO]","135832-38-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5687,null,"2-THIOPHENESULFONAMIDE, 5-[(4-HYDROXYBUTYL)SULFO","135832-39-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5688,null,"BENZENESULFONAMIDE, 4-[(4-HYDROXYBUTYL)THIO]-","135832-41-6","NS(=O)(=O)c1ccc(cc1)SCCCCO",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Checked on PubChem, Manual Check failed"]
[5689,null,"BENZENESULFONAMIDE, 4-[(4-HYDROXYBUTYL)SULFONYL]","135832-42-7",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5690,null,"BENZENESULFONAMIDE, 3-AMINO-4-[(2-HYDROXYETHYL)S","135832-45-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5691,null,"BENZENESULFONAMIDE, 4-(3-HYDROXYPROPYL)-","135832-46-1","NS(=O)(=O)c1ccc(cc1)CCCO",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5692,null,"ACETIC ACID, 3-[4-(AMINOSULFONYL)PHENYL]PROPYL E","135832-47-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5693,null,"BENZENESULFONAMIDE, 4-(4-HYDROXYBUTYL)-","135832-48-3","NS(=O)(=O)c1ccc(cc1)CCCCO",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Checked on PubChem, Manual Check failed"]
[5694,null,"BENZENESULFONAMIDE, 4-(5-HYDROXYPENTYL)-","135832-50-7","NS(=O)(=O)c1ccc(cc1)CCCCCO",{"$nulls":3},1,0,3,"NO","NO",2,0,"Eliminate","-","Checked on PubChem, Manual Check failed"]
[5695,null,"ACETIC ACID, 5-[4-(AMINOSULFONYL)PHENYL]PENTYL E","135832-51-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5696,null,"TRIFLUSULFURON-METHYL","135990-29-3","COC(=O)c1c(c(ccc1)C)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OCC(F)(F)F)N(C)C","Cc1c(c(ccc1)C(=O)O)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OCC(F)(F)F)N(C)C","COC(=O)c1c(c(ccc1)C)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OCC(F)(F)F)N(C)C","Cc1c(c(ccc1)C(=O)O)S(=O)(=O)NC(=O)Nc2nc(nc(n2)OCC(F)(F)F)N(C)C",2,2,0,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5697,1489,"Pyriminobac-methyl","136191-64-5","CON=C(C)c1c(c(ccc1)Oc2nc(cc(n2)OC)OC)C(=O)OC","CON=C(C)c1c(c(ccc1)Oc2nc(cc(n2)OC)OC)C(=O)OC","CON=C(C)c1c(c(ccc1)Oc2nc(cc(n2)OC)OC)C(=O)OC","CON=C(C)c1c(c(ccc1)Oc2nc(cc(n2)OC)OC)C(=O)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5698,1460,"Fluquinconazole","136426-54-5","O=c1n(c(nc2c1cc(F)cc2)-n3ncnc3)-c4c(cc(cc4)Cl)Cl","O=c1n(c(nc2c1cc(F)cc2)-n3ncnc3)-c4c(cc(cc4)Cl)Cl","O=c1n(c(nc2c1cc(F)cc2)-n3ncnc3)-c4c(cc(cc4)Cl)Cl","O=c1n(c(nc2c1cc(F)cc2)-n3ncnc3)-c4c(cc(cc4)Cl)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5699,1490,"Cyclosulfamuron","136849-15-5","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Nc2c(cccc2)C(=O)C3CC3","COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Nc2c(cccc2)C(=O)C3CC3","COc1nc(nc(c1)OC)N=C(O)NS(=O)(=O)Nc2c(cccc2)C(=O)C3CC3","COc1nc(nc(c1)OC)N=C(O)NS(=O)(=O)Nc2c(cccc2)C(=O)C3CC3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5700,4507,"Ethyl 2-formamido (dioxo-phenyl) acrylate","136986-57-7",null,null,"CCOC(=O)C(=Cc1cc2c(cc1)OCO2)N=CO","CCOC(=O)C(=Cc1cc2c(cc1)OCO2)N=CO",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[5701,4539,"Ethyl 2-formamido (3,4-dimethoxyphenyl) acrylate","136986-58-8",null,null,"CCOC(=O)C(=Cc1cc(c(cc1)OC)OC)N=CO","CCOC(=O)C(=Cc1cc(c(cc1)OC)OC)N=CO",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[5702,4511,"Ethyl 2-formamido (4-methoxyphenyl) acrylate","136986-59-9",null,null,"CCOC(=O)C(=Cc1ccc(cc1)OC)N=CO","CCOC(=O)C(=Cc1ccc(cc1)OC)N=CO",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[5703,4465,"Ethyl 2-formamido (4-nitrophenyl) acrylate","136986-60-2",null,null,"CCOC(=O)C(=Cc1ccc(cc1)[N+](=O)[O-])N=CO","CCOC(=O)C(=Cc1ccc(cc1)[N+](=O)[O-])N=CO",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[5704,4466,"Ethyl 2-formamido (3-nitrophenyl) acrylate","136986-61-3",null,null,"CCOC(=O)C(=Cc1cc(ccc1)[N+](=O)[O-])N=CO","CCOC(=O)C(=Cc1cc(ccc1)[N+](=O)[O-])N=CO",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[5705,4461,"Ethyl 2-formamido (4-chlorophenyl) acrylate","136986-62-4",null,null,"CCOC(=O)C(=Cc1ccc(cc1)Cl)N=CO","CCOC(=O)C(=Cc1ccc(cc1)Cl)N=CO",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[5706,null,"Isopropyl (4-chlorophenyl)sulfonyl acetate","136991-36-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5707,4462,"Ethyl 2-formamido (3-chlorophenyl) acrylate","137013-29-7",null,null,"CCOC(=O)C(=Cc1cc(ccc1)Cl)N=CO","CCOC(=O)C(=Cc1cc(ccc1)Cl)N=CO",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[5708,4012,"IMIDACLOPRID","138261-41-3","O=[N+]([O-])NC=1N(CCN1)Cc2cnc(cc2)Cl","O=[N+]([O-])NC=1N(CCN1)Cc2cnc(cc2)Cl","O=[N+]([O-])N=C1N(CCN1)Cc2cnc(cc2)Cl","O=[N+]([O-])N=C1N(CCN1)Cc2cnc(cc2)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5709,1137,"Metosulam","139528-85-1","COc1nc2n(c(c1)OC)nc(S(=O)(=O)Nc3c(c(ccc3Cl)C)Cl)n2","COc1nc2n(c(c1)OC)nc(S(=O)(=O)Nc3c(c(ccc3Cl)C)Cl)n2","COc1nc2n(c(c1)OC)nc(S(=O)(=O)Nc3c(c(ccc3Cl)C)Cl)n2","COc1nc2n(c(c1)OC)nc(S(=O)(=O)Nc3c(c(ccc3Cl)C)Cl)n2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5710,1284,"Isoxaflutole","141112-29-0","CS(=O)(=O)c1c(ccc(c1)C(F)(F)F)C(=O)c2c(onc2)C3CC3","CS(=O)(=O)c1c(ccc(c1)C(F)(F)F)C(=O)c2c(onc2)C3CC3","CS(=O)(=O)c1c(ccc(c1)C(F)(F)F)C(=O)c2c(onc2)C3CC3","CS(=O)(=O)c1c(ccc(c1)C(F)(F)F)C(=O)c2c(onc2)C3CC3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5711,1425,"SULFOSULFURON","141776-32-1","CCS(=O)(=O)c1c(n2c(n1)cccc2)S(=O)(=O)NC(=O)Nc3nc(cc(n3)OC)OC","CCS(=O)(=O)c1c(n2c(n1)cccc2)S(=O)(=O)NC(=O)Nc3nc(cc(n3)OC)OC","CCS(=O)(=O)c1c(n2c(n1)cccc2)S(=O)(=O)NC(=O)Nc3nc(cc(n3)OC)OC","CCS(=O)(=O)c1c(n2c(n1)cccc2)S(=O)(=O)NC(=O)Nc3nc(cc(n3)OC)OC",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5712,1139,"Fluthiamide","142459-58-3","CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c2ccc(cc2)F","CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c2ccc(cc2)F","CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c2ccc(cc2)F","CC(C)N(C(=O)COc1sc(nn1)C(F)(F)F)c2ccc(cc2)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5713,1557,"BAS 490F","143390-89-0","CON=C(C(=O)OC)c1c(cccc1)COc2c(cccc2)C","CON=C(C(=O)OC)c1c(cccc1)COc2c(cccc2)C",null,"CON=C(C(=O)OC)c1c(cccc1)COc2c(cccc2)C",3,0,1,"NO","NO",null,null,"Mantain","Medium Reliability","Stereochemistry removed",""]
[5714,1486,"Oxasulfuron","144651-06-9","Cc1nc(nc(c1)C)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC3COC3","Cc1nc(nc(c1)C)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC3COC3","Cc1nc(nc(c1)C)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC3COC3","Cc1nc(nc(c1)C)NC(=O)NS(=O)(=O)c2c(cccc2)C(=O)OC3COC3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5715,4481,"methyl(1-(4-methyl)phenylsulfonyl)cyclopropane","145348-19-2",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5716,4514,"ethyl(1-(4-methyl)phenylsulfonyl)cyclopropane","145348-20-5",null,"CCOC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C",null,"CCOC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)C",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5717,null,"isopropyl(1-(4-methyl)phenylsulfonyl)cycloprop","145348-21-6",null,"Cc1ccc(cc1)S(=O)(=O)C2(CC2)C(=O)OC(C)C",null,"Cc1ccc(cc1)S(=O)(=O)C2(CC2)C(=O)OC(C)C",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[5718,null,"methyl(1-(4-chloro)phenylsulfonyl)cyclopropane","145348-22-7",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[5719,null,"isopropyl(1-(4-chloro)phenylsulfonyl)cycloprop","145348-23-8",null,"CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",null,"CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[5720,null,"tert-butyl(1-(4-chloro)phenylsulfonyl)cyclopro","145348-24-9",null,"CC(C)(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",null,"CC(C)(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[5721,null,"methyl(1-(4-bromo)phenylsulfonyl)cyclopropane","145348-25-0",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Br",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)Br",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[5722,null,"methyl(1-(4-nitro)phenylsulfonyl)cyclopropane","145348-26-1",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",null,"COC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[5723,null,"isopropyl(1-(4-nitro)phenylsulfonyl)cyclopropa","145348-27-2",null,"CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",null,"CC(C)OC(=O)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[5724,1685,"Trovafloxacin","147059-72-1","NC1C2C1CN(c3c(cc4c(n3)n(cc(c4=O)C(=O)O)-c5c(cc(cc5)F)F)F)C2","NC1C2C1CN(c3c(cc4c(n3)n(cc(c4=O)C(=O)O)-c5c(cc(cc5)F)F)F)C2","NC1C2C1CN(c3c(cc4c(n3)n(cc(c4=O)C(=O)O)-c5c(cc(cc5)F)F)F)C2","NC1C2C1CN(c3c(cc4c(n3)n(cc(c4=O)C(=O)O)-c5c(cc(cc5)F)F)F)C2",4,0,0,"NO","NO",null,null,"Mantain","High Reliability","Stereochemistry removed",""]
[5725,null,"cloransulam","147150-35-4",null,"CCOc1n2c(cc(n1)F)nc(S(=O)(=O)Nc3c(cccc3Cl)C(=O)OC)n2","CCOc1n2c(cc(n1)F)nc(S(=O)(=O)Nc3c(cccc3Cl)C(=O)O)n2","CCOc1n2c(cc(n1)F)nc(S(=O)(=O)Nc3c(cccc3Cl)C(=O)OC)n2",2,1,1,"NO","NO",2,1,"Eliminate","-","Manual Check failed"]
[5726,4574,"d2341(bifenazate)","149877-41-8",null,"COc1c(cc(cc1)-c2ccccc2)NNC(=O)OC(C)C",null,"COc1c(cc(cc1)-c2ccccc2)NNC(=O)OC(C)C",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5727,1694,"OXAZICLOMEFONE","153197-14-9",null,null,"CC=1OCN(C(C1c2ccccc2)=O)C(C)(C)c3cc(cc(c3)Cl)Cl","CC=1OCN(C(C1c2ccccc2)=O)C(C)(C)c3cc(cc(c3)Cl)Cl",2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[5728,1743,"ETOXAZOLE","153233-91-1","CCOc1c(ccc(c1)C(C)(C)C)C2N=C(OC2)c3c(cccc3F)F","CCOc1c(ccc(c1)C(C)(C)C)C2N=C(OC2)c3c(cccc3F)F","CCOc1c(ccc(c1)C(C)(C)C)C2N=C(OC2)c3c(cccc3F)F","CCOc1c(ccc(c1)C(C)(C)C)C2N=C(OC2)c3c(cccc3F)F",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5729,null,"Fluroxypyr-2-butoxy-1-methylethyl","154486-27-8",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing/ambiguous"]
[5730,886,"2,3',4-Trichlorodiphenyl ether","155999-93-2",null,null,"Clc1cc(ccc1)Oc2c(cc(cc2)Cl)Cl","Clc1cc(ccc1)Oc2c(cc(cc2)Cl)Cl",2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[5731,888,"2,3,4'-Trichlorodiphenyl ether","157683-71-1",null,null,"Clc1ccc(cc1)Oc2c(c(ccc2)Cl)Cl","Clc1ccc(cc1)Oc2c(c(ccc2)Cl)Cl",2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[5732,889,"2,4',6-Trichlorodiphenyl ether","157683-72-2",null,null,"Clc1ccc(cc1)Oc2c(cccc2Cl)Cl","Clc1ccc(cc1)Oc2c(cccc2Cl)Cl",2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[5733,1431,"FENTRAZAMIDE","158237-07-1","CCN(C(=O)n1c(n(nn1)-c2c(cccc2)Cl)=O)C3CCCCC3","CCN(C(=O)n1c(n(nn1)-c2c(cccc2)Cl)=O)C3CCCCC3","CCN(C(=O)n1c(n(nn1)-c2c(cccc2)Cl)=O)C3CCCCC3","CCN(C(=O)n1c(n(nn1)-c2c(cccc2)Cl)=O)C3CCCCC3",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5734,4540,"isopropyl(1-(4-nitro)phenylsulfonyl)cyclobutan","160790-03-4",null,"CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",null,"CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5735,4565,"isopropyl(1-(4-nitro)phenylsulfonyl)cyclohexan","160790-04-5",null,"CC(C)OC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",null,"CC(C)OC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5736,4575,"isopropyl(1-(4-nitro)phenylsulfonyl)cyclohepta","160790-05-6",null,"CC(C)OC(=O)C1(CCCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",null,"CC(C)OC(=O)C1(CCCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5737,4470,"me(1-(4-bromo)phenylsulfonyl)cyclobutanecarbo","160790-06-7",null,"COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Br",null,"COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Br",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5738,4509,"me(1-(4-bromo)phenylsulfonyl)cyclopentanecarb","160790-07-8",null,"COC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Br",null,"COC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Br",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5739,4535,"me(1-(4-bromo)phenylsulfonyl)cyclohexanecarbo","160790-08-9",null,"COC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)Br",null,"COC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)Br",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5740,4471,"me(1-(4-chloro)phenylsulfonyl)cyclobutanecarb","160790-09-0",null,"COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Cl",null,"COC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)Cl",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5741,null,"isopropyl(1-(4-chloro)phenylsulfonyl)cyclopent","160790-10-3",null,"CC(C)OC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Cl",null,"CC(C)OC(=O)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Cl",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[5742,null,"isopropyl(1-(4-methyl)phenylsulfonyl)cyclobuta","160790-13-6",null,"CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccccc2",null,"CC(C)OC(=O)C1(CCC1)S(=O)(=O)c2ccccc2",2,0,2,"NO","NO",2,0,"Eliminate","-","Manual Check failed"]
[5743,4543,"ethyl(1-(4-methyl)phenylsulfonyl)cyclobutanec","160790-14-7",null,"CCOC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)C",null,"CCOC(=O)C1(CCC1)S(=O)(=O)c2ccc(cc2)C",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5744,4480,"methyl(1-phenylsulfonyl)cyclobutanecarboxylat","160790-17-0",null,"COC(=O)C1(CCC1)S(=O)(=O)c2ccccc2",null,"COC(=O)C1(CCC1)S(=O)(=O)c2ccccc2",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5745,4513,"methyl(1-phenylsulfonyl)cyclopentanecarboxyla","160790-18-1",null,"COC(=O)C1(CCCC1)S(=O)(=O)c2ccccc2",null,"COC(=O)C1(CCCC1)S(=O)(=O)c2ccccc2",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5746,4542,"methyl(1-phenylsulfonyl)cyclohexanecarboxylat","160790-19-2",null,"COC(=O)C1(CCCCC1)S(=O)(=O)c2ccccc2",null,"COC(=O)C1(CCCCC1)S(=O)(=O)c2ccccc2",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5747,1869,"ZXI 8901","160791-64-0","CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccc(cc2)Br)c3ccc(cc3)OC(F)F",null,null,"CC(C)C(C(=O)OC(C#N)c1cc(ccc1)Oc2ccc(cc2)Br)c3ccc(cc3)OC(F)F",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Checked on PubChem",""]
[5748,1798,"rh-2485","161050-58-4",null,"COc1c(c(ccc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C)C",null,"COc1c(c(ccc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C)C",2,0,2,"NO","NO",null,null,"Mantain","Medium Reliability","Name verified in PubChem",""]
[5749,891,"2,3,5-Trichlorodiphenyl ether","162853-24-9",null,null,"Clc1cc(c(c(c1)Cl)Cl)Oc2ccccc2","Clc1cc(c(c(c1)Cl)Cl)Oc2ccccc2",2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[5750,893,"2,3,6-Trichlorodiphenyl ether","162853-25-0",null,null,"Clc1c(c(c(cc1)Cl)Oc2ccccc2)Cl","Clc1c(c(c(cc1)Cl)Oc2ccccc2)Cl",2,0,2,"NO","NO",null,null,"Mantain","High Reliability","Checked on ChemID, Checked on PubChem",""]
[5751,1281,"ISOPROPAZOL","174514-07-9","CC(C)OC(=O)c1c(cc(c(c1)-c2c(c(n(n2)C)C(F)(F)F)Br)F)Cl","CC(C)OC(=O)c1c(cc(c(c1)-c2c(c(n(n2)C)C(F)(F)F)Br)F)Cl","CC(C)OC(=O)c1c(cc(c(c1)-c2c(c(n(n2)C)C(F)(F)F)Br)F)Cl","CC(C)OC(=O)c1c(cc(c(c1)-c2c(c(n(n2)C)C(F)(F)F)Br)F)Cl",4,0,0,"NO","NO",null,null,"Mantain","High Reliability",null,""]
[5752,null,"MB-599","185676-84-0",{"$nulls":3},"CC#CCOC(C)c1cc(c(cc1)OC)OC",1,0,3,"NO","NO",1,0,"Eliminate","-","Manual Check failed"]
[5753,4463,"Ethyl 2-formamido (2-chlorophenyl) acrylate","336111-17-2",null,null,"CCOC(=O)C(=Cc1c(cccc1)Cl)N=CO","CCOC(=O)C(=Cc1c(cccc1)Cl)N=CO",2,0,2,"NO","NO",3,0,"Maintain","Medium Reliability","Stereochemistry removed, Manual Check passed",""]
[5754,4396,"Ethyl 2-formamido-(furan-3-yl)acrylate","336111-18-3","CCOC(=O)C(=Cc1cocc1)NC=O",{"$nulls":3},1,0,3,"NO","NO",3,0,"Maintain","Medium Reliability","Manual Check passed",""]
[5755,null,"3-PENTYL NITRATE","SRC002-52-9","CCC(CC)O[N+](=O)[O-]",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Missing CAS, Manual Check failed"]
[5756,null,"5-Bromo-3-hydroxybenzaldehyde","SRC003-41-9","O=Cc1cc(cc(c1)O)Br",{"$nulls":3},1,0,3,"NO","NO",1,0,"Eliminate","-","Missing CAS, Manual Check failed"]
[5757,null,"Isopropropyl,4-formylphenoxyl acetate","SRC003-42-0",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing CAS, Missing/ambiguous"]
[5758,null,"1-(4-MePhSO2)-1-(iPrOCO)cyclopentane","SRC003-56-1",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing CAS, Missing/ambiguous"]
[5759,null,"1-(4-MePhSO2)-1-(MeOCO)cyclohexane","SRC003-56-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing CAS, Missing/ambiguous"]
[5760,null,"1,4-diAm-2,3-diPhO-9,10-anthracenedione","SRC003-67-2",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing CAS, Missing/ambiguous"]
[5761,null,"1,4-diCL-2,3-diPhO-9,10-anthracenedione","SRC003-67-3",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing CAS, Missing/ambiguous"]
[5762,null,"D5-azo Dye","SRC003-67-4",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing CAS, Missing/ambiguous"]
[5763,null,"D6-Anthrquinone Dye","SRC003-67-5",null,null,"Nc1c2c(c(cc1OC3CC=C(C=C3)N4C(CCCCC4)=O)O)C(c5c(C2=O)cccc5)=O",null,1,0,3,"NO","NO",1,0,"Eliminate","-","Missing CAS, Manual Check failed"]
[5764,null,"Limonene oxide (cis + trans)","SRC003-73-3",{"$nulls":4},0,0,4,"YES","NO",null,null,"Eliminate","-","Missing CAS, Missing/ambiguous"]

{"sheet":"Summary_ManualCheck","index":14,"n_rows":15,"n_cols":2,"rows_kept":15}
["row ID","Count"]
["Maintain (manual check) (w/ duplicates) (H reliability)",3744]
["Maintain (manual check) (w/ duplicates) (M reliability)",1270]
["Maintain (manual check) (w/o duplicates) (H reliability)",3554]
["Maintain (manual check) (w/o duplicates) (M reliability)",1171]
["Maintain (w/ duplicates) (H reliability)",3723]
["Maintain (w/ duplicates) (M reliability)",912]
["Maintain (w/o duplicates) (H reliability)",3536]
["Maintain (w/o duplicates) (M reliability)",850]
["Rejected (all)",487]
["Rejected (inorganic or unusual elements)",96]
["Rejected (mixtures)",9]
["Rejected (missing/ambiguous)",395]
["Rejected (manual check failed)",260]
["Rejected (all, manual check)",747]