Structure [idcode]	Molecule Name	Molecule Name 2	Structure No	CdId	Mol Weight	Formula	Plate Position	Plate	Well	Prestw Frag Number	CAS_number	Bmal1(PASB) dTmB	Bmal1(PASB) dTmD
die@@@EJfWIjjjhb`@ !BFFMGX{x@IR}`Zfhoe?rDBp	Compound 99	Compound 99	374	374	128.22	C7H16N2	2.00E+16	Prestwick02	E16	Prestw-Frag-3671	26116-12-1	-0.56	-1.52
deUD@BxDR[e_aZ@B@@ !Bb@JHo[x@e?rH?Kx@o`BH?Kx@	Compound 98	Compound 98	203	203	138.13	C6H6N2O2	01K05	Prestwick01	K05	Prestw-Frag-1494	5521-55-1	0.14	0.07
dknD`La@BLddJrbRtujh@@@@ !B@Ky_okx@oe~H?I\}oe~WOX`}oe~~Wx`}	Compound 97	Compound 97	166	166	199.27	C9H13NO2S	01I08	Prestwick01	I08	Prestw-Frag-3368	95339-74-5	-0.29	-0.24
dmvD@AADfVUyUjB@@@ !BbCvH@ky_o`BHOY\}bOr~W{y_est	Compound 96	Compound 96	354	354	151.16	C8H9NO2	02C16	Prestwick02	C16	Prestw-Frag-3382	614-18-6	-0.50	-0.72
f`aa`@D@lyIeYWmeZZhHBf@@@ !Bo`BW?Hc|e{vHo[y_e?rH?I\}e{vW@ky_esvHoY^}	Compound 95	Compound 95	309	309	221.26	C12H15NO3	01P11	Prestwick01	P11	Prestw-Frag-1716	40188-45-2	-1.04	-1.60
difH@LAJYWxZB@@@ !Boe~H?H`}esv~@Ky_oe~WOP	Compound 94	Compound 94	331	331	123.16	C7H9NO	02A13	Prestwick02	A13	Prestw-Frag-2477	14529-53-4	-0.05	0.16
fdeHb@B\]yQ`QBSJ{LwkQfkAc@ATu@@DID@@ !B_{z}lKvw_{y?ocvw_{ySJEMgZd@_IVh_GvjwwK^}msvww@	Compound 93	Compound 93	453	453	262.65	C11H7ClN4O2	02M15	Prestwick02	M15	Prestw-Frag-3046	43200-81-3	-0.98	-0.16
gOu@DPdrikTt@@ !BKA`eX@B~FBqjXKx@	Compound 92	Compound 92	362	362	98.11	C4H6N2O	2.00E+04	Prestwick02	E04	Prestw-Frag-3664	52867-35-3	0.17	0.08
dk^h@LX]LDeYe]xUvj`PJ@@ !BIVCoqbU`KvhlFI\}o`AcFI_|epJ~@Kx@	Compound 91	Compound 91	348	348	179.18	C7H9N5O	02C10	Prestwick02	C10	Prestw-Frag-3329	707-99-3	-0.48	0.16
dev@@@RYe\fFZ``HbJ@@ !BIV@oZbpXo`BWoVLXe?rW?I^}	Compound 90	Compound 90	358	358	133.19	C9H11N	02C20	Prestwick02	C20	Prestw-Frag-3462	70146-15-5	-0.81	-0.80
f`i`B@F@bDfUmYWiqQg^`BJB@H@@ !BvvSoQXX@vvS[Y@|ma`@OXkNXfPC[J{~~{qkoFmlk	Compound 9	Compound 9	260	260	229.71	C14H12ClN	01M22	Prestwick01	M22	Prestw-Frag-1101	32943-25-2		
detH@@RYVvfFX@Jb@@ !BlCvpoKy?lCvpO[y?PFi@IPqg	Compound 89	Compound 89	410	410	134.18	C9H10O	02I12	Prestwick02	I12	Prestw-Frag-3713	1470-94-6	-0.82	-1.36
f`qq@@IZLAJ[WUeV\]z`@j@@@@@ !Bog~pOK^}lKv~_{y?lCv~_{]}og~wO[@}og~~_{@}	Compound 88	Compound 88	139	139	215.26	C12H13N3O	01G21	Prestwick01	G21	Prestw-Frag-1358	859065-14-8	-0.64	-1.60
dklL@@QdfunUtvjX@@@@ !Bo`BH?I_|e{vW?Kx@e{vW?Ky_e{vWO[y_	Compound 87	Compound 87	22	22	178.19	C10H10O3	01B04	Prestwick01	B04	Prestw-Frag-1768	2051-95-8	-0.11	0.07
deVD@DAdfygFV``@@@ !BlCvpoKy?lCvwO[@|og~~_{\}	Compound 86	Compound 86	193	193	137.14	C7H7NO2	01J15	Prestwick01	J15	Prestw-Frag-1439	65-45-2	0.06	-1.20
fleP`@DJAYIenVW}YJLyj@@BJh@@@ !Bog~w_[A}msr~_{@|lCvwO[C}lCr~_{y?lCrwO[A}lCrpo[@|	Compound 85	Compound 85	93	93	258.32	C15H18N2O2	1.00E+15	Prestwick01	E15	Prestw-Frag-1228	no CAS	0.12	-0.16
dmvH@LAIYyVUjh@BDH@ !Bm{v~_{\}lCv~_{\}lCv~_{y?lCt	Compound 84	Compound 84	476	476	151.21	C9H13NO	02O18	Prestwick02	O18	Prestw-Frag-3755	625442-71-9	-0.08	0.16
daFH@FAIeZn`B@@@ !BepJ~@I\}epJW@kx@est	Compound 83	Compound 83	413	413	109.13	C6H7NO	02I15	Prestwick02	I15	Prestw-Frag-2826	591-27-5	-0.56	-1.44
dknB`LaML@cIIKDeeAeZ@BX@@ !B@Ky_okx@oe~WOX`}oe~~Wx`}oe~WoXb}	Compound 82	Compound 82	18	18	201.20	C7H7NO4S	01A20	Prestwick01	A20	Prestw-Frag-2123	138-41-0	-0.15	0.07
dk]H@DHDfYyWImMjdHB@@ !BKA`@obU`Zf@lQq`lc_^@Ckx@KD\lQx@N	Compound 81	Compound 81	452	452	174.20	C10H10N2O	02M14	Prestwick02	M14	Prestw-Frag-3742	89-25-8	1.77	1.43
dcnD@DCTfUmVfeVj@B`@@ !BbOrHo[x@bOrH?Kx@bKvH?Hc|bKvHoP	Compound 80	Compound 80	419	419	163.18	C9H9NO2	02I21	Prestwick02	I21	Prestw-Frag-2854	22246-18-0	-0.98	-1.60
dg]H`Nv`BDiVU}afjfjjP@ !BBOqW?@b}U{uPd`y_U?qTVt@Y@@xlQp@NcP|	Compound 8	Compound 8	76	76	214.33	C10H18N2OS	01D18	Prestwick01	D18	Prestw-Frag-1889	66356-53-4	-2.44	-1.68
dcLD`EtICHhdhXiSP@ULQu@@ !BepJ~@I\}e?rW@i\}o`BH?I_|o`BHOP	Compound 79	Compound 79	402	402	168.17	C9H9FO2	02I04	Prestwick02	I04	Prestw-Frag-3706	65487-32-3	0.26	0.16
dk]H@ELDfUn_kaVZVjjXz`@ !BbOrHo[x@bOrH?F@eo`@lFFhoXFk@zVho	Compound 78	Compound 78	273	273	176.22	C10H12N2O	01N15	Prestwick01	N15	Prestw-Frag-1643	153-98-0	-0.60	-0.16
dmLL@@YTfYWrXYZB@h@@ !BIV@oZbpXo`BWOVLXepJW@i\}epH	Compound 77	Compound 77	208	208	150.13	C8H6O3	01K10	Prestwick01	K10	Prestw-Frag-3703	6272-26-0	0.62	0.39
deTL@@Z\bbRbM]@DT@@ !BbOrHO[x@bOrH?H`}o`B~@Hc|	Compound 76	Compound 76	110	110	140.14	C7H8O3	01F12	Prestwick01	F12	Prestw-Frag-1935	29654-55-5	-0.85	-1.36
dg~D@IADfvYU^g[ZiBBH@@ !BIQ}dn}?iIQ|_IPqgog~wwEMgm{vwoVh_m}p	Compound 75	Compound 75	202	202	189.21	C11H11NO2	01K04	Prestwick01	K04	Prestw-Frag-3461	1912-48-7	-0.44	0.07
f`qA`@@HXdwL{rhiN|tDA@@@@@ !BlCvpOKy?lOvw?[@|og~~_{]}mwvwwKy?m?vwO[y?	Compound 74	Compound 74	103	103	214.22	C13H10O3	01F05	Prestwick01	F05	Prestw-Frag-1240	323-87-5	-0.48	-0.01
deVH@DAImeQej@@@@ !BepJ~@I\}oe~WOX`}oe~~Wx`}	Compound 73	Compound 73	359	359	135.17	C8H9NO	02C21	Prestwick02	C21	Prestw-Frag-2580	103-81-1	-0.74	-1.12
fdeP@@@JRieUe^JehLZ`hH`@`@@ !Bo`BWoXb}bOrW?Ky_oe~~@Kx@bKvW?Ky_esvHO[y_oe~HoP	Compound 72	Compound 72	136	136	238.33	C16H18N2	01G18	Prestwick01	G18	Prestw-Frag-3257	21598-26-5	0.86	0.31
dmN@@@RYVuiiV@BjH@@ !Be?rWo[x@e?rW?Kx@e{vW?I_|e{t	Compound 71	Compound 71	386	386	147.22	C10H13N	02G08	Prestwick02	G08	Prestw-Frag-3682	2217-43-8	0.33	0.08
f`qa`@F@PYInYWyQJ]yhHHihP@@ !Bo`BH?I_|esv~@Ky_e?rW?I\}o`B~Wt]cFFMjKrTo	Compound 70	Compound 70	182	182	217.22	C12H11NO3	01J04	Prestwick01	J04	Prestw-Frag-2052	501661-50-3	-0.26	-0.16
dif@@@RYVzz@Hp@@ !Bog~pO[\}og~~_{@}msvpoP	Compound 7	Compound 7	370	370	117.15	C8H7N	2.00E+12	Prestwick02	E12	Prestw-Frag-3669	54060-30-9             No CAS in reaxys for HCl salt	-3.75	-3.27
gF|HHZ@aJVqiZ@@ !BIR}GKE~~QvN~@@	Compound 69	Compound 69	388	388	101.13	C2H3N3S	02G10	Prestwick02	G10	Prestw-Frag-3683	7552-07-0	-0.32	-0.16
dieH`Dq`BDfUfnZii@@ !BepJWO[x@epJW@i\}o`B~@@	Compound 68	Compound 68	224	224	142.18	C5H6N2OS	01L06	Prestwick01	L06	Prestw-Frag-2127	56-04-2	-0.75	-1.36
do~L@EACR[YWVqej@Bf`@@ !Bo`BH@i\Bo`BW?Hc|o`B~@H`Bo`BH?H`}o`BH?@	Compound 67	Compound 67	86	86	207.23	C11H13NO3	1.00E+08	Prestwick01	E08	Prestw-Frag-2362	99855-37-5	-0.24	-1.44
dmN@`NBHRYegXYV@@@@@@ !Bo`BW?Hc|o`BWo[x@e?rH?I_|e{t	Compound 66	Compound 66	365	365	163.60	C9H6ClN	2.00E+07	Prestwick02	E07	Prestw-Frag-2593	635-27-8	-0.75	-1.28
fhyaB@N^@DISLroTyHvkT@P@Dt@@@ !BlKvwo[y?lGr~_{]|mwvp_[B}mwvwo[C\m}rp_[C\og|	Compound 65	Compound 65	278	278	241.31	C14H11NOS	01N20	Prestwick01	N20	Prestw-Frag-2239	6631-94-3	0.31	0.07
difD@BADfyWaZ@@@@ !BlCvpoKy?lCvwO[y?og~wOP	Compound 64	Compound 64	98	98	123.11	C6H5NO2	1.00E+20	Prestwick01	E20	Prestw-Frag-2541	59-67-6	-0.10	0.07
f`qP`@F\@cHihhdcDdJSoM@PP@@@@ !BlKvpwKy?m{vpo[y?m}r~_{A}m{vwwKy?m{vw_[y?	Compound 63	Compound 63	69	69	214.22	C12H10N2O2	01D11	Prestwick01	D11	Prestw-Frag-1191	16344-24-4	0.02	0.15
dg}@`AlHcHhdhUDeSG\@EUTP@@ !Boe~HoY^}oe~~Wy^}bKvH?Hb}o`BH?Hc|o`@	Compound 62	Compound 62	245	245	210.71	C11H15ClN2	01M07	Prestwick01	M07	Prestw-Frag-1700	23145-92-8	-0.92	-1.60
fluQB@IZbBHRYWVVUVcCNBf@Bf``P`@@ !Bb@JHO[x@b@JH?Kx@bOr~@Hc|e?r~@Kx@e{vW?I_|e?r~@I\}	Compound 61	Compound 61	213	213	270.72	C15H11ClN2O	01K15	Prestwick01	K15	Prestw-Frag-1559	53242-88-9	-0.44	-1.36
dk\H`IBPrJJIHsQntxBBZb@@ !BepJWO[x@e?r~Wy_|o`BWoY_|oe|}epJW	Compound 60	Compound 60	479	479	178.21	C11H11FO	02O21	Prestwick02	O21	Prestw-Frag-3198	150322-73-9	-1.49	-1.44
foQ`@@@YHheDhbmrPmV]PQ@@D@@@ !BTwl@oh[oKqhL^qnKlBt[bygoXAhoFdRKQHm`F`	Compound 6	Compound 6	251	251	195.26	C14H13N	01M13	Prestwick01	M13	Prestw-Frag-1722	449-55-8	-1.75	-1.84
deTHpIBHJHFHRYgUn``J@@ !Bo`BW@h`Besv~@Kx@b@JH@kx@	Compound 59	Compound 59	423	423	197.44	C6H3Cl3O	02K05	Prestwick02	K05	Prestw-Frag-2898	95-95-4	-0.02	0.16
foA``@D@HdsOOZlyYsUKUUT@@ !BbOrHO[x@oe~H?Hc|o`BHo[x@oe~H?H`}bKvH?@	Compound 58	Compound 58	192	192	207.27	C12H17NO2	01J14	Prestwick01	J14	Prestw-Frag-2092	29342-05-0	-1.46	-1.68
dclL@@GTf[VwiWV`BJH@@ !Bb@JHO[x@b@J~Wx`}bCu`Zky_KD]`IP	Compound 57	Compound 57	390	390	164.16	C9H8O3	02G12	Prestwick02	G12	Prestw-Frag-3686	3162-29-6	-1.06	-1.44
f`ia@@D@RYf[U^cMNmyj`@@B@@@ !BIV@lFB}j@KycFKx@e{w|e?rHe?rW?@B~@KzWO_rH	Compound 56	Compound 56	84	84	209.25	C14H11NO	1.00E+06	Prestwick01	E06	Prestw-Frag-2360	5388-42-1	-0.56	-1.36
deTL@@QdfygFV``@@@ !BlCvpoKy?lCvwO[@|og~~_{\}	Compound 55	Compound 55	244	244	138.12	C7H6O3	01M06	Prestwick01	M06	Prestw-Frag-1045	69-72-7	-0.68	-1.52
devH@FCIEDhcSCMAPD@@ !Bm{vpo[y?m}r~_{B}m{vwo[_\	Compound 54	Compound 54	436	436	135.17	C8H9NO	02K18	Prestwick02	K18	Prestw-Frag-3732	98491-38-4	0.57	0.40
f`qPb@LV``@QddabbRRvUXsej`hHh@@ !B@Ky_okx@oe~W@h`BesvHO[x@o`B~W{y_b@JHO[x@	Compound 53	Compound 53	447	447	240.32	C11H16N2O2S	02M09	Prestwick02	M09	Prestw-Frag-3012		-1.83	-1.52
dcm@@@EJe{gkevj``H@@ !Be{v~@Hb}e?rW?I^}o`B~Wy_|e?r~@@	Compound 52	Compound 52	211	211	162.24	C10H14N2	01K13	Prestwick01	K13	Prestw-Frag-1553	no CAS	-0.65	-1.36
fdyq@@JVbAJ[eg_UxhujBBbjjH@@ !Boe~W?Hb}e{vH?Ky_oe~Ho[x@e{vH?Hc|o`BH?Hb}bOrHoP	Compound 51	Compound 51	100	100	249.36	C14H23N3O	1.00E+22	Prestwick01	E22	Prestw-Frag-2569	129010-86-2	-0.08	-1.04
fdypb@L^cA@@cIIBmDeMElhuoKUMKUULCT@@ !BO[@|m{^}lCrwoK@}lCr~_{@}lCu@Zky?CF]jPD@eJ{ajP@	Compound 50	Compound 50	449	449	267.35	C12H17N3O2S	02M11	Prestwick02	M11	Prestw-Frag-3017	88919-22-6	0.72	-0.08
dg]H@AdDfYW[Vz@`jj@@ !BesvW@ky_esv~@I\}oe~H?I\}o`BHOXc|b@H	Compound 5	Compound 5	197	197	194.28	C11H18N2O	01J19	Prestwick01	J19	Prestw-Frag-1462	6297-14-9	-4.46	-3.59
gO|HLZ@aJYmZYh@ !BIR}GKE~~KD]GX{x@	Compound 49	Compound 49	29	29	115.15	C3H5N3S	01B11	Prestwick01	B11	Prestw-Frag-1161	108-33-8	-1.77	-1.44
deu@`LH@cIEEBeeCMLuU@@ !BKA`oZfLX@Kz~@I\}e?rW?I\}	Compound 480	Compound 480	439	439	154.23	C7H10N2S	02K21	Prestwick02	K21	Prestw-Frag-2972	2933-29-1	-5.59	-6.23
dg}H@DhDfU]eZX{Zjh@H@@ !Bog~po[^}og~~_{^}m{v~_{\}lCv~_{y?lGt	Compound 48	Compound 48	178	178	190.25	C11H14N2O	01I20	Prestwick01	I20	Prestw-Frag-3459	13754-41-1	-0.65	-1.60
f`qa@@I@RYeU{TRg^ZBBJjH@@ !BesvW@ky_o`BWOXb}e?rW@ky_esvWoXb}oe~~Wx`}	Compound 479	Compound 479	10	10	217.31	C14H19NO	01A12	Prestwick01	A12	Prestw-Frag-1953	886-06-6	-3.22	-3.43
digDaLJnD@biGldTTLqjZV`@ !BQrpeKt]co`@lQu~~c_^@C`	Compound 478	Compound 478	346	346	145.14	C3H3N3O2S	02C08	Prestwick02	C08	Prestw-Frag-3324	121-66-4	-7.14	-5.83
dg~D@IALbfTTTRHr]mSTsTpI@@ !BIVATaN?FIV@oZbpXe{v~@FLX@KzW?I_|o`@	Compound 477	Compound 477	36	36	189.21	C11H11NO2	01B18	Prestwick01	B18	Prestw-Frag-1824	1912-43-2	-6.48	-5.66
fbmPB@AIADILklsJktYyL\p@UTEAADND@@ !Bog~wo[B}og~~_{B}og~pO[\}og~pOK\|og~po[@}msvwo[C\og|	Compound 476	Compound 476	317	317	286.80	C17H19ClN2	01P19	Prestwick01	P19	Prestw-Frag-1741	303-26-4	-4.68	-5.26
gOrHEcPDILl[MT`@ !BKrTeKt\lW{yGX{x@	Compound 475	Compound 475	242	242	116.14	C2H4N4S	01M04	Prestwick01	M04	Prestw-Frag-1032	13183-79-4		
foAAB@A@bDfUvyVcKN`@j@@H\H@@ !BlCvp_Ky?lCvpO[y?lCvpOKy?m{vpo[y?og~poP	Compound 474	Compound 474	282	282	218.68	C13H11ClO	01O04	Prestwick01	O04	Prestw-Frag-1106	119-56-2	-2.07	-3.11
fhyPB@AVADILkkLktYjw`p@UPHA@@@ !B{|XeX@n[{|[oq`n[{|XeXB}jKAb~@I^}XqbW?I_|e{t	Compound 473	Compound 473	87	87	242.71	C14H11ClN2	1.00E+09	Prestwick01	E09	Prestw-Frag-1165	107456-42-8		-48.63
dclH@@rJJIJEMr{@PUQ@@ !BepJWO[x@e?r~Wy_|o`AGXqacZb|eKp	Compound 472	Compound 472	387	387	162.23	C11H14O	02G09	Prestwick02	G09	Prestw-Frag-2706	1518-84-9	-2.14	-2.87
fdea@@J@rQQQQEJKKDiipXuKA@@A@@@ !BZb|XKFMG@KxXX{x@gpzR}rqGXt]cQxww`@zR}rqGKD^@C`	Compound 471	Compound 471	383	383	235.29	C16H13NO	02G05	Prestwick02	G05	Prestw-Frag-2695	14224-99-8	-2.25	-2.95
fdyQB@CQDBPRYW[UeZLCF@BZjjb@@ !Bm{vwoKy?m{vw_[y?m?v~_{_\m{vwwK]}m}r~_{^}msv~_p	Compound 470	Compound 470	170	170	250.32	C14H19FN2O	01I12	Prestwick01	I12	Prestw-Frag-3426	89027-27-0	-0.60	-2.47
dg~h@DZ]lDfUmeUt{ZiifiaZ@@ !BepJWO[x@oe~H?I\}bCv~WvAjoe~HORqGXBT	Compound 47	Compound 47	45	45	191.19	C8H9N5O	01C07	Prestwick01	C07	Prestw-Frag-1047	37385-05-0	-0.65	0.07
dg|H@@RYWVUicn@B`@@@@ !Bog~wo[B}og~~_{B}og~pO[y?lCrpo[@}lMp	Compound 469	Compound 469	176	176	184.24	C13H12O	01I18	Prestwick01	I18	Prestw-Frag-3455	101-53-1	-2.61	-3.59
fjm``@G@edbbTRbTNRL`m^CPQEEUUQPhP@ !BepJH@i\}o`BHOY_|oe~W?Ky_bOr~@D]cFFNHOVhoIR~H?H`B?I\}b@	Compound 468	Compound 468	212	212	291.44	C18H29NO2	01K14	Prestwick01	K14	Prestw-Frag-0674	36507-48-9	-1.95	-1.76
foAAA@G@dERFQQQJIIGLdZtD@DA@@@ !BesvW@ky_o`BWOY^}e?rH?Ky_oe~~@Kx@bOr~@@	Compound 467	Compound 467	79	79	206.19	C12H8F2O	01D21	Prestwick01	D21	Prestw-Frag-1237	59089-68-8	-0.75	-1.52
fdeq@@K^bCHhhhdddlcHvg^BuHLEBtTID@@ !Boe~HOY\}oe~H?I_|oe~HoX`}esvWoXc|XFj~Wv@eKD\@o`	Compound 466	Compound 466	179	179	237.26	C14H11N3O	01I21	Prestwick01	I21	Prestw-Frag-1471	52329-60-9	-1.29	-1.68
fdeP@@@XRe^YeU|DlGtVfh@@@`@@ !BZfA_od\lIVB~@I\Bb@JWO[x@bCv~@I_|e?rH?Hc|o`B~@@	Compound 465	Compound 465	132	132	234.30	C16H14N2	01G14	Prestwick01	G14	Prestw-Frag-2868	7189-67-5	-6.29	-6.45
f`iA@@@YEEEEDhdYFTzwj`@``H@@@ !Bog~OKY@mf]|{iH[_^JP_QSQGGtU@QWMGPDT{iGbd	Compound 464	Compound 464	367	367	210.28	C15H14O	2.00E+09	Prestwick02	E09	Prestw-Frag-2600	1210-34-0	-1.43	-1.76
dmuDaBFUBHFUyIf]yn``I`@@ !BesvW@ky_o`BWOY\}oe~~Wy^}bKt	Compound 463	Compound 463	235	235	172.57	C6H5ClN2O2	01L17	Prestwick01	L17	Prestw-Frag-1543	121-87-9	0.66	0.71
fdeA`@@\\dsKK|klyKPXmAPPDAAAe@@ !Bog~pO[\}og~pOKy?m{vpo[@}m{vpwK_\og~po[^}m{v~_p	Compound 462	Compound 462	313	313	240.26	C15H12O3	01P15	Prestwick01	P15	Prestw-Frag-1739	6515-36-2	-0.40	-1.60
f`qAA@A@dORBSJ{\ktYYt@EP@P@@@ !Bo`BW?Hc|o`B~@Hc|o`BH?I_|o`BWOY\Be?rWOY\B	Compound 461	Compound 461	108	108	220.22	C13H10F2O	01F10	Prestwick01	F10	Prestw-Frag-1924	365-24-2	-1.89	-2.95
fdepB@AZLBPrJIKIQQPiTYjpXp@US@@P@@ !B{|XKfrU`{|[oqbU`{|XeXBpXKvicF@B~o`BWoY_|e?rWOP	Compound 460	Compound 460	47	47	241.27	C14H12FN3	01C09	Prestwick01	C09	Prestw-Frag-1050	83783-69-1	-1.64	-1.84
dk~@@@RfYU_JGUMjjiejDh@ !BI|qhsJh`WqfeH@@YR?aK~ASxEOa_FP@Y	Compound 46	Compound 46	397	397	171.24	C12H13N	02G19	Prestwick02	G19	Prestw-Frag-2780	942-01-8	-0.19	-0.16
fhi`B@M@bLbbRrdTQthqUh@JjjhhBH@@ !BQAl@voe_QAmDF?e_QAmDQAl[QAoy@@CyQAmDQ@Cy~P@	Compound 459	Compound 459	215	215	251.80	C15H22ClN	01K17	Prestwick01	K17	Prestw-Frag-1566	84484-78-6	-2.54	-2.08
fhipC@IZ\BPQHXdLbdLRTRaVDiwjh@biX`@@ !Bc]CPdo^Mc]@lFI|Nc]BMtBpXgpz_C`B~IVAjXA`lo`@	Compound 458	Compound 458	328	328	241.22	C11H10F3N3	02A10	Prestwick02	A10	Prestw-Frag-3241	641571-11-1	-2.09	-2.95
fhiP`@DVAyIeeV]VQgAZ``@B@@@ !BbOrHo[x@oe~W?Hc|bCv~@Kx@b@J~Wx`BbCvHO[x@oe|	Compound 457	Compound 457	257	257	228.25	C13H12N2O2	01M19	Prestwick01	M19	Prestw-Frag-1747	471254-13-4	-0.46	-0.08
dk^D@IADfVyWF]MjZejXD`@ !BUHS@zRU`Zb|oZbpXe{v~@FLXe?rW?Kx@	Compound 456	Compound 456	403	403	175.19	C10H9NO2	02I05	Prestwick02	I05	Prestw-Frag-2799	942-24-5	-0.14	-1.28
fdy@`@@HR[Ue]eUZCEjh@H@@@@ !Bo`BH_I]|e{vW?I^}ewr~Wy^}esv~Wy\}epJ~Wy\}esv~Wp	Compound 455	Compound 455	319	319	240.30	C16H16O2	01P21	Prestwick01	P21	Prestw-Frag-1767	6057-60-9	-2.43	-1.92
dg|H@@RYfUWd}nh@@@@@@ !Besv~Wy\Be{vHo[x@esv~W{y_e?rW@hb}est	Compound 454	Compound 454	290	290	184.24	C13H12O	01O12	Prestwick01	O12	Prestw-Frag-1122	91-01-0	-1.61	-1.76
didD@@EIe]ih@J@@ !Bo`BW@h`Bo`B~@Hc|o`BH@`	Compound 453	Compound 453	343	343	124.14	C7H8O2	02C05	Prestwick02	C05	Prestw-Frag-2532	623-05-2	-0.16	-1.12
fj}PA@AIAHEdLbbRrbbbRRqhsrXy`@jhJBH`@@ !Bog~w_[A}og~~_{B}og~wO[@}msr~_{y?lCrwO[]}lGvpO[y?lMrp_P	Compound 452	Compound 452	125	125	288.34	C17H18F2N2	01G07	Prestwick01	G07	Prestw-Frag-1323	27469-60-9	-2.55	-2.00
foAA@@@YEEEEDdbjqgU@A@@DHT@@ !Be?rWo[x@e?r~Wxc|e?rWo[x@e{v~@Kx@oe~W?@	Compound 451	Compound 451	106	106	198.26	C14H14O	01F08	Prestwick01	F08	Prestw-Frag-1923	7111-76-4	-1.24	-1.76
f`q``@G@edbbTRbbNEjwjB@hB@aP`@ !BepJH@i\}o`BHOY_|oe~W?Ky_bOr~@I\}esvHO[y_	Compound 450	Compound 450	165	165	217.27	C13H15NO2	01I07	Prestwick01	I07	Prestw-Frag-1389	62618-09-1	1.58	0.47
dcmH@DDDfUe]aWVjB@`@@ !BmH\@abtOfKMbC{z?\Kp@fW@}\Kupo@	Compound 45	Compound 45	104	104	162.19	C9H10N2O	01F06	Prestwick01	F06	Prestw-Frag-1902	07/07/5755	-1.27	-0.16
dcmH@DtDfyVwiWVfejfIh@ !Bb@J~@H`}b@J~Wx`}bCu`Zky_KD]`IP	Compound 449	Compound 449	140	140	160.18	C9H8N2O	01G22	Prestwick01	G22	Prestw-Frag-3336	1670-87-7	-0.81	-0.24
fleaA@@bAHIdLbbRrbTRRQhstX@JhHH`@@ !BbOr~@Hb}b@JH?Hb}bOrHo[x@bOrH@i\BbKv~@Kx@bOrW@kx@	Compound 448	Compound 448	299	299	263.29	C15H15F2NO	01O21	Prestwick01	O21	Prestw-Frag-1925	50376-82-4	-1.45	-1.60
foQ`@@@ITsJk{AJlYuP@`@P@@@ !BZb|oZbpXpNdKf{x@esucFFhoZb~W?I_|BynWoP	Compound 447	Compound 447	445	445	193.25	C14H11N	02M07	Prestwick02	M07	Prestw-Frag-3011	16096-33-6	-0.07	0.16
fdyA`@@HidTRdLTRRVlGtVjhJBbJFJ@@ !BOY\Beu~~@Ky_okx@oe~H@i\BesvHO[x@o`B~W{y_e?rHoP	Compound 446	Compound 446	293	293	248.32	C15H20O3	01O15	Prestwick01	O15	Prestw-Frag-1867	10399-13-0	-1.54	-1.68
fbmP@@@FrRJIJJIIIGFmyL\uUPAP@D@@@ !Be{ua@FcCoe~W?DRTXAjWoXb}o`BWoX@I|iB~W{y_e?rW?Hb}e{t	Compound 445	Compound 445	285	285	266.39	C18H22N2	01O07	Prestwick01	O07	Prestw-Frag-1817	30486-56-7	-1.89	-1.76
foAA@@@IMLvjzkF]U@@@@@@@ !BW{z~W{x@W{zWOX`}bOrW?Ky_oe~~@Kx@bKvW?@	Compound 444	Compound 444	276	276	198.26	C14H14O	01N18	Prestwick01	N18	Prestw-Frag-2235	599-67-7	-1.59	-1.60
fdep@@@PheL}sJkxiXOhsUP@@@`@@ !BQrpeKt]co`A_oi_|bOrWO[x@bCv~@I_|epJH?H`Bo`B~@@	Compound 443	Compound 443	122	122	235.29	C15H13N3	01G04	Prestwick01	G04	Prestw-Frag-2645	102993-98-6	-2.46	-3.35
fhiA`@@HidTRdLTRRU`n|uUAPTECE@@ !B@h`}b@B~W{z~@@B~oe?|e?rHQvLXXpB~@KyjKrTo?H`	Compound 442	Compound 442	333	333	234.29	C14H18O3	02A15	Prestwick02	A15	Prestw-Frag-2484	19833-96-6	-1.34	-1.60
fhiP`@F\@cHihhdcEDaR|EhBB@`@@@ !Bo`BW@h`BbCv~@H`Boe~H@kx@bCvH?Ky_bCv~@Hb}oe|	Compound 441	Compound 441	128	128	228.25	C13H12N2O2	01G10	Prestwick01	G10	Prestw-Frag-2806	17782-05-7	0.29	0.15
foAA@@@ILrkNxmV\tD@@@@@@ !BepJ~@I^}bOrW?Ky_o`B~@I^}bKvW@ky_oe~HOP	Compound 440	Compound 440	272	272	196.25	C14H12O	01N14	Prestwick01	N14	Prestw-Frag-2219	451-40-1	-0.71	-0.01
dg|`@@pcrQQIFIJTvvAA@D@@@ !Be?rH?Kx@e{v~@Hc|e?r~@I^}e?rW?Kx@e{t	Compound 44	Compound 44	429	429	186.22	C10H10N4	02K11	Prestwick02	K11	Prestw-Frag-2935	1016519-99-5	-0.02	0.08
f`iQ@@DR@drsLkIZ][sT@P@D@@@ !BKX}?ocQG\t^Ywt@Zam|_Fh|m^JmxjsnkNzm@Fa|Z	Compound 439	Compound 439	295	295	210.24	C13H10N2O	01O17	Prestwick01	O17	Prestw-Frag-1904	5814-41-5	0.05	-0.01
f`q@`@@^rQQRJJV[TdhuATQET@@@ !BbCvWO[y_b@J~WqTPG|fHoY^}bCv~@Hc|oe~H@hb}	Compound 438	Compound 438	262	262	220.31	C14H20O2	01N04	Prestwick01	N04	Prestw-Frag-2185	950-99-2	1.30	-0.01
dcND`MyPbDfUuZf`@jX@@ !Bo`BW@h`Bo`B~@Hc|o`BH@kx@e?rH?@	Compound 437	Compound 437	287	287	185.61	C8H8ClNO2	01O09	Prestwick01	O09	Prestw-Frag-1833	05/10/3598	0.01	-1.04
dg^D`La@BLddLTRRIvmTE@@@@ !B@Ky_okx@oe~H?I_|esvHO[x@esv~W{y_bCt	Compound 436	Compound 436	222	222	213.30	C10H15NO2S	01L04	Prestwick01	L04	Prestw-Frag-2124		-0.90	-1.60
fluA`@@HLdrrs\kzcNbEKUT@P@D@@@ !BbCvH@ky_o`BWOX`}bGr~Wy_|oe~H?H`}esvWOX`}bCvW@h`B	Compound 435	Compound 435	149	149	254.28	C16H14O3	01H11	Prestwick01	H11	Prestw-Frag-1348	08/03/7401	-1.29	-1.52
fhi@`@@\RYee~uekpV`hH@@@@@ !Be?rWo[x@e?r~Wxc|o`BWoY\}o`B~Wx`BepJ~@Kx@e?p	Compound 434	Compound 434	234	234	226.28	C15H14O2	01L16	Prestwick01	L16	Prestw-Frag-2152	3516-95-8	-0.33	0.07
foA`B@M@dDfUve^cKN`@jnh`@@ !Boc?Wo_B}oc~~O?@}oc}_yaTo@NY_ymQ{uGl@y`	Compound 433	Compound 433	373	373	203.26	C13H14FN	2.00E+15	Prestwick02	E15	Prestw-Frag-2647	71486-43-6	-0.64	-1.36
fdyab@LPPH@QddatTRVfRTXLUjBB@@@@@ !B@h`}ex`}epJ~Wxb}e{vH?Ky_oe~~@I^}b@JW@kx@o`BW@`	Compound 432	Compound 432	291	291	263.31	C13H13NO3S	01O13	Prestwick01	O13	Prestw-Frag-1861	51765-51-6	-1.83	-1.68
fhyaB@KJADILkZsjtYhw`p@UM@@@@@ !BKqh[byg@KqhoFig@TwnwXe~~o`BwKULxFyPoQR}EFyP	Compound 431	Compound 431	459	459	243.69	C14H10ClNO	02M21	Prestwick02	M21	Prestw-Frag-3073	31251-41-9	-4.79	-5.35
doH@DUpRYYU^YujBBJ`@@ !Boe~HOY\}bOrW?Ky_bCvWOY^}bOr~Wx`}o`BWoP	Compound 430	Compound 430	156	156	207.28	C11H17N3O	01H18	Prestwick01	H18	Prestw-Frag-2031	188758-93-2	-0.84	-1.36
dev@@@RfV^nFZBHH@@ !Bm{vpo[y?m}r~_{^}lKvwo[_\	Compound 43	Compound 43	471	471	133.19	C9H11N	02O13	Prestwick02	O13	Prestw-Frag-3137	635-46-1	0.06	-0.08
do~H@DCHhhddXdk]jfh@@@@ !BbKvH?Ky_o`BHOY\}bOr~W{y_esvHO[y_oe~HOP	Compound 429	Compound 429	461	461	203.28	C13H17NO	02O03	Prestwick02	O03	Prestw-Frag-3088	27829-46-5	-1.63	-2.80
do~D@DBtfUe^ySZhHHX@@ !Boe~WOX`}ewrH_I\}o`BHOY]|ewrWO[x@e?r~Wp	Compound 428	Compound 428	249	249	205.26	C12H15NO2	01M11	Prestwick01	M11	Prestw-Frag-1717	96604-75-0	-0.30	-1.28
fhiQ@@EA@eMkjrnscoT@EUUQ@@@ !Bog~pOK^}lKv~_{y?lCv~_{^}og~wO[@}og~~_{@}og|	Compound 427	Compound 427	246	246	234.34	C14H22N2O	01M08	Prestwick01	M08	Prestw-Frag-1051	85098-70-0	-0.58	-1.36
dmL`@@aLRevUpiUi`@`@@ !B@KxeXFi`FBr~@I_|bOr~@Kx@b@H	Compound 426	Compound 426	421	421	146.15	C7H6N4	02K03	Prestwick02	K03	Prestw-Frag-2887	18039-42-4	0.51	0.24
fdyP@@@XrQQ[QQQURXijsUPDQUP@@ !BFBqjKqaco`@@ohc|bCv~@Hc|oe~H?I_|o`BH?Hc|oX`Bep	Compound 425	Compound 425	267	267	244.38	C16H24N2	01N09	Prestwick01	N09	Prestw-Frag-1575	1218-35-5	-1.26	-1.76
dk]@@@yJeWmZ{Sjj`@`@@ !Be{vHo[x@oe~~Wy\BbKv~@I\}epJW?I\}	Compound 424	Compound 424	270	270	176.26	C11H16N2	01N12	Prestwick01	N12	Prestw-Frag-2215	110475-31-5	-0.38	-1.20
dg|H@@RYfUWd}mh@@@@@@ !Besv~Wy\Be{vHo[x@esv~W{y_e?rW@hb}est	Compound 423	Compound 423	64	64	182.22	C13H10O	01D06	Prestwick01	D06	Prestw-Frag-1860	119-61-9	-0.99	-1.60
dg}@PBlIBYCHhheELbrg\DEQTP@@ !Boe~HoY^}bOr~W{y_bKv~@Hb}e{vH?Hc|o`@	Compound 422	Compound 422	281	281	198.22	C10H12F2N2	01O03	Prestwick01	O03	Prestw-Frag-1806	2025339-64-2	0.20	0.23
fluP@@@FRieYgUagQBfjj@H@B@@@ !Bo`BHoY^}epJH@ky_oe~~@I\}bCv~@I^}e?rW?Hc|bOrWO[x@	Compound 421	Compound 421	31	31	252.36	C17H20N2	01B13	Prestwick01	B13	Prestw-Frag-1162	841-77-0	-1.92	-1.92
fbuP`@DR@KHhhhiebeDeQb\mTsUT@D@@@ !BzT@OdiPDU{tN@CtH@EF~wu]|deCLzE^}UwqWoU]|om}WoU\}om|	Compound 420	Compound 420	252	252	272.35	C16H20N2O2	01M14	Prestwick01	M14	Prestw-Frag-1075	247098-18-6	-0.68	-0.24
dg}@PFlH`hcHhhieBepg\DPUTP@@ !Be{vW@ky_o`BWoXb}e{v~W{y_bOrHOXb}bOp	Compound 42	Compound 42	417	417	231.12	C10H12Cl2N2	02I19	Prestwick02	I19	Prestw-Frag-2853	119532-26-2	-1.63	-1.12
dmNH@LAIYUVfeZejVhZ`@ !BO[A?oeMgTr`_Za|em{vwwK_\mst	Compound 419	Compound 419	111	111	147.18	C9H9NO	01F13	Prestwick01	F13	Prestw-Frag-1297	24621-70-3	0.70	-0.16
deTH`IBHRYWVf`@j@@ !Bo`BW?Hc|o`B~@H`Bo`BH@kx@	Compound 418	Compound 418	457	457	156.61	C8H9ClO	02M19	Prestwick02	M19	Prestw-Frag-3062	1875-88-3	0.02	0.24
foAQ@@DZ@dskLkjuYsUSTmSAQ@@ !Bom}WOP`}U?qWOU_|CxuQ@BVobpP_qa?iG~fKA@	Compound 417	Compound 417	223	223	202.26	C12H14N2O	01L05	Prestwick01	L05	Prestw-Frag-1478	1016-47-3	-0.27	-0.48
f`aa`@E@P[HheDehTeKSTDDUP@@ !BepJWo[x@oe~H@i\Be{v~@Kx@bOrW?Kx@bOr~@Hc|	Compound 416	Compound 416	124	124	223.27	C12H17NO3	01G06	Prestwick01	G06	Prestw-Frag-2724	342044-71-7	-1.52	-1.76
f`qa@@D@R[fYU_Sk^Zh@@@@@@ !Boe~HOY\}oe~W_I^}bKv~@I\}oe~~Wy]|e?rHoY\}	Compound 415	Compound 415	88	88	211.26	C14H13NO	1.00E+10	Prestwick01	E10	Prestw-Frag-2366	4695-13-0	-0.76	-1.76
foAaB@EBADILkmrmFV]@AT@@PyP@ !Bo`BW?Hc|o`B~@Hc|o`BH?I_|esv~@I_|epJ~@@	Compound 414	Compound 414	147	147	219.67	C12H10ClNO	01H09	Prestwick01	H09	Prestw-Frag-1346	27652-89-7	-1.29	-1.68
fjm``@K@QdTRdRbRRLVVc^RuUPUAQT@@@ !Boe~HoY^}bOrMtB|eKD^HoRpXgpz~WvMGbOrMtHwPbKv~@I|NbOrW_@	Compound 413	Compound 413	126	126	289.42	C18H27NO2	01G08	Prestwick01	G08	Prestw-Frag-2774	125-85-9	-1.85	-1.84
dmLH@@rJJIQEneXBBh`@ !Bo`BW?Hc|o`BWo[x@bOrW?I_|e{t	Compound 412	Compound 412	27	27	148.21	C10H12O	01B09	Prestwick01	B09	Prestw-Frag-1156	529-35-1	-1.05	-1.68
f`qQA@MNDBHUDYEEDeD]Df\]z@`jjThTH@@ !Bb@JHO[x@bOr~Wxc|o`BHoY^}o`B~WqacQvLeKvho	Compound 411	Compound 411	37	37	257.11	C11H10Cl2N2O	01B19	Prestwick01	B19	Prestw-Frag-1182	24155-42-8	-0.85	-1.28
fhi`@@@ISlsJkf|xMUP@@@@@@ !Be?rH?I^}e?rWo[x@e?r~Wx`BepJWoY^}o`B~@Ky_e?p	Compound 410	Compound 410	24	24	225.34	C16H19N	01B06	Prestwick01	B06	Prestw-Frag-1772	28075-29-8	-1.48	-1.52
dmMH@NTDim[VFUiiZi`Z@@ !BbCv~@H`Boe~HOX`}XFj~WrqGXBT	Compound 41	Compound 41	380	380	148.16	C8H8N2O	2.00E+22	Prestwick02	E22	Prestw-Frag-3678	4887-80-3	-0.91	-1.36
dmM@@@qJUyWBeVf@B@@ !BZfA_od\lIVB~@I_|bOr~@Kx@bOp	Compound 409	Compound 409	456	456	144.18	C9H8N2	02M18	Prestwick02	M18	Prestw-Frag-3744	7164-98-9	-0.78	-1.36
deu@@@kIEEDbUCKTsTpQ@@ !BKvhlFI\}o`AcF@B~e?rW?Kx@	Compound 408	Compound 408	228	228	132.17	C8H8N2	01L10	Prestwick01	L10	Prestw-Frag-2136	615-15-6	-0.37	-1.20
f`iq@@DX|AIfUeUrLtzwfjb`h``@@ !Bo{zSiyNh{vij{~|eM{wKNpCiMspwOFkoZn|wOPCi	Compound 407	Compound 407	269	269	217.27	C12H15N3O	01N11	Prestwick01	N11	Prestw-Frag-1587	20662-53-7	-0.86	-1.52
f`a``@E@Pdrrj}lmMPPQU@@@ !BbOrHo[x@bOrH?I_|bKv~@Kx@bOrW?Hb}o`BH?I_|	Compound 406	Compound 406	253	253	221.30	C13H19NO2	01M15	Prestwick01	M15	Prestw-Frag-1735	2618-38-4	-0.48	-0.01
fbmP@@@FRieYgUWxYrPyjj`B@HH@@@ !Boe~W?Hc|bCvWO[x@o`B~Wx`BepJ~Wxc|bKvHOY\}e{v~@Hc|oe|	Compound 405	Compound 405	143	143	266.39	C18H22N2	01H05	Prestwick01	H05	Prestw-Frag-1325	82-92-8	-0.51	-0.32
detD@@QIemRhYZ`@`@@ !BIV@lFB}jXqb~@I^}e?rW?I^}	Compound 404	Compound 404	232	232	134.13	C8H6O2	01L14	Prestwick01	L14	Prestw-Frag-2144	87-41-2	-0.23	0.31
fbma@@L`RZYfUU_MErPyj`B`B```@@ !BW{z~@E~~oe~H?I_|OX`}ey\}bCv~@Kx@W{y_oky_oe~W?CvWbKt	Compound 403	Compound 403	219	219	267.37	C18H21NO	01K21	Prestwick01	K21	Prestw-Frag-1654	115-46-8	-1.27	-1.84
fj}`@@@ITjLrj}NArdmUUT@@@P@@@ !BesvHO[x@oe~~Wy\BbKv~@I\Bb@J~@I\}bCv~@I\Be?rH?H`Besv~@@	Compound 402	Compound 402	89	89	279.43	C20H25N	1.00E+11	Prestwick01	E11	Prestw-Frag-1193	3540-95-2	-2.05	-1.60
digH`LJn@HRf_ljfYh@@ !BQrpeKt]co`A_ohc|bKv~@@	Compound 401	Compound 401	9	9	143.16	C4H5N3OS	01A11	Prestwick01	A11	Prestw-Frag-1008	5393-55-5	-0.09	0.15
fleP@@@ZRigfUU^t_Ijj@H@`@@@ !Be?rH?Ky_e{v~@Hb}e?r~Wxc|e?rH?I^}e{v~@Kx@bKv~Wy\B	Compound 400	Compound 400	172	172	254.38	C17H22N2	01I14	Prestwick01	I14	Prestw-Frag-3452	no CAS	-1.08	-1.60
f`qa`@A@PYInUnU^Rlyh@bjh`@@ !Bog~wO[@}og~pOK@}lCv~_{@|YuLhT{@}Za|eG{y?	Compound 40	Compound 40	117	117	221.26	C12H15NO3	01F19	Prestwick01	F19	Prestw-Frag-1313	219636-76-7	-0.37	-0.24
f`i`B@C@dDfUvYWhsQg^`@fiZIah`@ !BIVATaN?FIV@eXN?FIV@oZbpXe{v~@FLXe?rW?Kx@	Compound 4	Compound 4	316	316	211.24	C14H10FN	01P18	Prestwick01	P18	Prestw-Frag-2397	101125-32-0		
dcl`@@pmrQQIPiTrzAAUQ@@ !Besv~@I\Boe~W@kx@bKvWo[y_oe~WoP	Compound 399	Compound 399	167	167	164.21	C8H12N4	01I09	Prestwick01	I09	Prestw-Frag-1398	20980-22-7	-0.21	-0.01
dkmH@EtDieeYDzB`f@@@ !Boe~H?H`}esv~@H`Boe~~Wxc|o`BHOY\}	Compound 398	Compound 398	297	297	178.24	C10H14N2O	01O19	Prestwick01	O19	Prestw-Frag-1910	57075-84-0	-0.43	-0.24
dkm@@@kIHbdhdmNjj@@@@ !BesvHO[x@epJWOY\BesvW?Ky_esvWo[y_	Compound 397	Compound 397	221	221	178.28	C11H18N2	01L03	Prestwick01	L03	Prestw-Frag-1476	103-55-9	-0.27	-0.16
fly``@M@Pdrrrksm`mUPTEEDLD@@ !Brj|KnpBiWzYTnLjoB{l@j^V`@Je_ieRxUK`Kn~V`yZA_ie~f	Compound 396	Compound 396	131	131	263.38	C16H25NO2	01G13	Prestwick01	G13	Prestw-Frag-1343	14007-64-8	-1.01	-1.52
dg]D`BvUBHRYgUg[hHBfh@@ !Bb@JHO[x@oe~H?Hc|o`B~@Hc|epJH@kx@o`@	Compound 395	Compound 395	474	474	214.65	C9H11ClN2O2	02O16	Prestwick02	O16	Prestw-Frag-3754	100206-86-8	-0.16	0.08
deU@@@iIYg^G``H@@ !BepJW?I\}o`B~Wy_|e?r~@Kx@	Compound 394	Compound 394	455	455	132.17	C8H8N2	02M17	Prestwick02	M17	Prestw-Frag-3060	5925-93-9	-0.18	-1.36
dklL`NTpbDfUu[ih@JjbIH@ !Bb@J~@H`}bOrH?Hb}bOrHoXc|o`BHoXc|	Compound 393	Compound 393	274	274	202.63	C9H11ClO3	01N16	Prestwick01	N16	Prestw-Frag-2229	104-29-0	0.07	0.23
dmNH@NAJ[VuaeZZVjXF`@ !BbCv~@H`Boe~HOX`}XFj~WrqGXBT	Compound 392	Compound 392	157	157	147.18	C9H9NO	01H19	Prestwick01	H19	Prestw-Frag-1372	3189-13-7	0.28	0.07
fdyq@@DTbCHhdhhhhdjXOhmTEDUDP@@ !BbKv~Wx`Be{v~@I_|oe~H@i\Be{v~@I\}bCv~@Kx@oe~W?@	Compound 391	Compound 391	144	144	247.34	C14H21N3O	01H06	Prestwick01	H06	Prestw-Frag-1996	5294-61-1	-0.66	-0.24
daFH@JAIYUnjjjDh@ !Bmsv~_{@}msv~_{y?mst	Compound 390	Compound 390	428	428	115.18	C6H13NO	02K10	Prestwick02	K10	Prestw-Frag-3728	4606-65-9	-0.26	0.00
f`qa@@D@rJIQQQIHz][sT@D@@@@@ !Boe~HoY^}bGrW_Ky_bKv~@I^}o`BWOXa|bOr~W{x@	Compound 39	Compound 39	322	322	211.26	C14H13NO	02A04	Prestwick02	A04	Prestw-Frag-3202	7055-03-0	-1.32	-1.60
dkmH@DhLbbTTLRtvj`HBLH@ !BepJWO[x@oe~W?Hc|bCvWO[y_bOr~Wy\}	Compound 389	Compound 389	289	289	178.24	C10H14N2O	01O11	Prestwick01	O11	Prestw-Frag-1856	35891-74-8	0.12	-1.04
dg~D@MBdin]V^G[hHBjbbX@ !BesvHO[y_epJHoY^}esvW?I\Be{vWO[x@e?p	Compound 388	Compound 388	248	248	193.25	C11H15NO2	01M10	Prestwick01	M10	Prestw-Frag-1063	881-26-5	-0.57	-1.36
dg~`@@pj[IEEEUDeWGXDQ@@@@@ !Bb@J~Wxb}o`BHoY^}oe~Ho[y_bOrHOXb}bOp	Compound 387	Compound 387	477	477	187.21	C9H9N5	02O19	Prestwick02	O19	Prestw-Frag-3190	91-76-9	-0.27	-0.08
do@@@XtiWV]Xj@Bjjhcj@@ !Bo`BHoXc|bOrHoXc|bKvH?Ky_bKvH?Hb}bOr~Wp	Compound 386	Compound 386	268	268	207.32	C12H21N3	01N10	Prestwick01	N10	Prestw-Frag-2210	No CAS	-0.44	-1.12
dk]@`EtHaIe]eZ[S`@`@@@@ !Bog~wo[B}og~~_{B}og~wO[@}og~~_{B}	Compound 385	Compound 385	247	247	190.63	C10H7ClN2	01M09	Prestwick01	M09	Prestw-Frag-1704	82525-17-5	-1.51	-1.44
dcND@LALbbTTJRzuT@@@@ !BepJWO[x@oe~H?I_|esvHO[y_oe~HOP	Compound 384	Compound 384	233	233	165.19	C9H11NO2	01L15	Prestwick01	L15	Prestw-Frag-1540	6969-90-0	-0.26	-1.36
fhi`b@BRlBHrJJIKPqQY`oA``a``@@@ !BbKv~Wx`Be{vHoX`}e?rH?Kx@e{vW?Ky_o`BWoY\}oe|	Compound 383	Compound 383	209	209	247.68	C13H10ClNO2	01K11	Prestwick01	K11	Prestw-Frag-1545	1697-18-3	1.33	1.11
do|D@@SHhdiEXdk]jZh@@@@ !BbKvH@ky_o`BWO[x@@Ky_oky_esvHO[y_oe~HOP	Compound 382	Compound 382	431	431	204.27	C13H16O2	02K13	Prestwick02	K13	Prestw-Frag-2947	7042-36-6	-0.17	-1.12
fdeQ`@DF@sVQQQQIIZEJQmVCEjjjh@JHXH@@ !Bo`BH?I_|bKv~@I^}o`BH?Hc|e?rW?Kx@o`BWoY_|e?rWoP	Compound 381	Compound 381	314	314	248.28	C13H16N2O3	01P16	Prestwick01	P16	Prestw-Frag-2389	70918-74-0	-0.24	0.07
dmvD@EADfVuqej@B@@ !BbCvH?Ky_o`BWOX`}oe~~Wx`}oe|	Compound 380	Compound 380	308	308	151.16	C8H9NO2	01P10	Prestwick01	P10	Prestw-Frag-2346	619-45-4	-0.11	0.31
dcld@DrUCdfY[uaWVjfZfAh@ !BbOr~@H`}bOrW?Hc|o`BHOV@eXFhlF@	Compound 38	Compound 38	21	21	166.14	C6H6N4O2	01B03	Prestwick01	B03	Prestw-Frag-1138	6136-37-4	-0.59	-0.16
fdeP@@@RRi^VV}z\txLZjB`@@`aR`@ !Be{v~@Hb}epJW?I^}o`B~@Ky_epJW?Hc|e?r~@Kx@o`BW?@	Compound 379	Compound 379	239	239	238.33	C16H18N2	01L21	Prestwick01	L21	Prestw-Frag-1552	n.a.	-1.10	-1.68
dcn@`L@HrQQEQIYR{SL@D@@ !BQrpeKt]co`A_ofMGgpzR}vMGXt^R}p	Compound 378	Compound 378	454	454	175.25	C10H9NS	02M16	Prestwick02	M16	Prestw-Frag-3743	1826-16-0	-0.52	-1.52
dmO@@@pdif]|jUZ``H@@ !BKD\oIVMG@Kz~Wy_|Zb~WoY\}e?p	Compound 377	Compound 377	448	448	147.18	C8H9N3	02M10	Prestwick02	M10	Prestw-Frag-3740	1622-57-7	-0.10	-1.12
fleIb@LB}FB@`BLddJbbRRrVtzwej@@@J`@@ !B@Ky_okx@oe~H?I\}bCvHo[x@oe~~Wxc|bOrHO[x@o`B~Wx`B	Compound 376	Compound 376	306	306	280.30	C11H12N4O3S	01P08	Prestwick01	P08	Prestw-Frag-2337	1220-83-3	0.09	-1.04
f`q`@@@ITrjwoHsoUAP@@@@@ !Bo`BWoXb}bGrW_Ky_b@J~@Kx@e{vHoY]|oe~~Wx`}	Compound 375	Compound 375	288	288	211.31	C15H17N	01O10	Prestwick01	O10	Prestw-Frag-1121	92-59-1	-1.19	-1.28
dg^DHLa@BMdCdKdLddlTRTdjm@PU@@@ !B@Ky_okx@oe~HOY\}oe~H?Ky_esvH_Ng@?I\	Compound 374	Compound 374	181	181	225.19	C7H6F3NO2S	01J03	Prestwick01	J03	Prestw-Frag-1394	1869-24-5	-0.07	-0.08
dg~H`KDHaIe]kVfNx@Jjh`@ !BuGl@yaTouGoT^qTouGoTNM^}|Kv~O{x?|Ct	Compound 373	Compound 373	153	153	211.69	C11H14ClNO	01H15	Prestwick01	H15	Prestw-Frag-1365	39512-49-7	-1.00	-1.52
dmLL@@iTie]|kahHBh@@ !BKrTlQ{y_epIcQy\}esvW?I\Bo`@	Compound 372	Compound 372	450	450	152.15	C8H8O3	02M12	Prestwick02	M12	Prestw-Frag-3741	495-76-1	-0.20	-1.20
dmv@@@RUVUeZj@@@@ !Bm{vwwK^}m}rwo[_\og~wo[\}og|	Compound 371	Compound 371	220	220	149.24	C10H15N	01K22	Prestwick01	K22	Prestw-Frag-1031	13214-66-9	-0.34	-0.24
dklL@@XtieeWGZB`h`@@ !Bo`BWoXc|e?rW?Hb}o`B~@I^}bOrW?I_|	Compound 370	Compound 370	127	127	182.22	C10H14O3	01G09	Prestwick01	G09	Prestw-Frag-1335	136167-44-7	4.16	3.50
dcoD`HQjt@aJU^Upevejjj@@ !BIV@@oa`lZfB~@FAja@oFpFAjXFkFp@	Compound 37	Compound 37	347	347	187.22	C6H9N3O2S	02C09	Prestwick02	C09	Prestw-Frag-2562	30165-97-0	-0.14	0.40
dmvD@LADfWeYUj`@@@ !BepJ~@I\}bOr~Wy\}bCv~W{y_bCt	Compound 369	Compound 369	114	114	151.16	C8H9NO2	01F16	Prestwick01	F16	Prestw-Frag-1952	03/10/2603	0.01	-0.40
fhi@a@OAAHJdLbbbTRRLtYHshH@HHX@@@ !Boe~WoXb}e?r~W{y_o`BWoX`}bCvW@i_|o`BWoX`BepH	Compound 368	Compound 368	101	101	234.20	C13H8F2O2	01F03	Prestwick01	F03	Prestw-Frag-1238	656304-77-7	-0.92	-1.76
dmN@@@rIRJEHjeZj@B@@ !BKxi{\wlto]]|u~X@KyU{MGltKyT	Compound 367	Compound 367	468	468	147.22	C10H13N	02O10	Prestwick02	O10	Prestw-Frag-3751	935-43-3	-0.24	0.16
dk]@@@qJUue\KSZZ`@`@@ !BZfA_od\lIVB~@Hc|o`BH?I_|o`B~@I_|	Compound 366	Compound 366	369	369	172.23	C11H12N2	2.00E+11	Prestwick02	E11	Prestw-Frag-2608	49823-14-5	-0.49	-1.28
dif@@@RYfVF@b@@@ !BesvW@ky_esv~@I\}bCv~Wp	Compound 365	Compound 365	304	304	121.18	C8H11N	01P06	Prestwick01	P06	Prestw-Frag-2313	87-62-7	-0.18	-0.32
dco@@@sTieg^aWP`hjH@@ !BbCv~@Ky_b@JH@hb}e{v~@Ky_oe~WoP	Compound 364	Compound 364	284	284	163.22	C9H13N3	01O06	Prestwick01	O06	Prestw-Frag-1110	34803-66-2	-0.48	-0.08
dcLL@@ZTieeT]hJB`@@ !BesvHOY\Boe~H@kx@esvWOX`}e?r~Wp	Compound 363	Compound 363	129	129	168.19	C9H12O3	01G11	Prestwick01	G11	Prestw-Frag-1338	18181-71-0	0.76	0.31
dmvD`FxPBLdTRTQrjYfj@@ !BFBqjKqaco`@@ofAjbOrW?BqGo`@	Compound 362	Compound 362	286	286	171.21	C7H9NO2S	01O08	Prestwick01	O08	Prestw-Frag-1111	85006-31-1	-0.95	-0.24
fgAP@@@VRfYU_qPVeFZjjYf`@@ !BZNLgxzUo@DZj[u}FEMlTvto[R}l@Qe}FEMl	Compound 361	Compound 361	404	404	186.26	C12H14N2	02I06	Prestwick02	I06	Prestw-Frag-3709	61894-99-3	1.14	0.88
dmLD@@{HhheDVzUZB`H@@ !Bo`BW?Hc|o`BWo[x@bOrW?I_|e{t	Compound 360	Compound 360	315	315	148.16	C9H8O2	01P17	Prestwick01	P17	Prestw-Frag-1740	491-37-2	-0.05	0.23
dcnD@DAlbbRbaU\nmTuUP@@ !B?Hb}b@B~?Hc|bKvH@KxlQrpXXFi`IP	Compound 36	Compound 36	384	384	167.21	C9H13NO2	02G06	Prestwick02	G06	Prestw-Frag-3680	1075-89-4	-2.38	-2.95
dmtH@@Rfy[xZ@`h@@ !Bog~pOK@}msv~_{@|og~wO[@}mst	Compound 359	Compound 359	231	231	150.22	C10H14O	01L13	Prestwick01	L13	Prestw-Frag-1506	20469-61-8	-0.12	-0.48
dieH@DHDfyWaZ@@@@ !BlCvpoKy?lCvwO[y?og~wOP	Compound 358	Compound 358	226	226	122.13	C6H6N2O	01L08	Prestwick01	L08	Prestw-Frag-2131	1452-77-3	-0.11	-0.08
fhyH@@@PQaJWYeg_AEV|Ei``@@`@@ !B@KxeXFi`FBr~@Hc|e?rHO[x@o`BH?Ky_e?rHOX`}oe|	Compound 357	Compound 357	171	171	222.25	C13H10N4	01I13	Prestwick01	I13	Prestw-Frag-1441	147330-32-3	-0.44	-1.28
dk\D@@WHhheEhVF]ZBHb`@@ !Bog~pO[\}og~pOKy?lGvw_[@}og~pwKB}	Compound 356	Compound 356	77	77	176.22	C11H12O2	01D19	Prestwick01	D19	Prestw-Frag-1236	33892-75-0	-1.28	-1.60
foAa@@J@RZYmUuVLzj@@@@aB`@ !BW{z~@Ky_W{zW?Hc|esvHO[x@o`B~W{y_bOrHoP	Compound 355	Compound 355	48	48	199.25	C13H13NO	01C10	Prestwick01	C10	Prestw-Frag-2237	19490-92-7	-0.76	-0.32
fhi@`@@^Rfuue]Yrsj@B`@h@@@ !Bog~pOK^}lKv~_{y?lKv~_{@}og~pOKB}lCvpwKA}og|	Compound 354	Compound 354	41	41	228.29	C15H16O2	01C03	Prestwick01	C03	Prestw-Frag-1033	726-18-1	-0.11	0.71
fhi@`@@HRY[fUWMypVj`@@@@@@ !Boe~HOY\}oe~~Wy_|e{vHo[x@esv~W{y_e?rW?Hb}est	Compound 353	Compound 353	11	11	226.28	C15H14O2	01A13	Prestwick01	A13	Prestw-Frag-1013	3469-00-9	-1.32	-1.52
dg|B@@x{RYee~[iuhFBF`@@ !Bog~wO[@}og~wOKy?lOvw?[\}lOvwwKC\og|	Compound 352	Compound 352	310	310	190.15	C10H6O4	01P12	Prestwick01	P12	Prestw-Frag-2352	4940-39-0	-0.25	0.15
f`aA@@@YEEDbiDYF\`HJjj@@@ !BesvW@ky_esv~@I\}oe~WOY\}@i^}bI_|epH}e?rH	Compound 351	Compound 351	15	15	220.36	C15H24O	01A17	Prestwick01	A17	Prestw-Frag-1016	2219-84-3	0.69	-0.08
daGH@LK`RUe[jjV@@ !Bog~wo[y?JEMgTrT_Za|	Compound 350	Compound 350	467	467	113.12	C4H7N3O	02O09	Prestwick02	O09	Prestw-Frag-3101	3273-14-1	0.19	-0.16
fj}q@@AVJAJ[WYWYWYpudyh@Jjh@H`@@ !Bog~pOK\}lCv~_{y?lOv~_{\}lCv~_{y?lCv~_{\}lCv~_{y?lGv~_p	Compound 35	Compound 35	261	261	283.38	C17H21N3O	01N03	Prestwick01	N03	Prestw-Frag-1557	74852-62-3	0.19	0.15
deTHPABPfPRYeUn`HJ@@ !BesvW@ky_esv~@I\}oe~H?Ky_	Compound 349	Compound 349	465	465	144.12	C7H6F2O	02O07	Prestwick02	O07	Prestw-Frag-3100	56456-47-4	0.05	-0.24
foA``@C@heMrkl|dYuAAEUEAQ@@ !Be?rH?Kx@e{vH?I_|e?rHoY^}e{vW?I_|oe~WoP	Compound 348	Compound 348	264	264	207.27	C12H17NO2	01N06	Prestwick01	N06	Prestw-Frag-2193	63283-42-1	-0.74	-1.36
dcNH`IDHaIe]mih@Ij@@ !Bo`BW?Hc|o`B~@H`Bo`BW?Hc|o`BH?@	Compound 347	Compound 347	411	411	183.64	C9H10ClNO	02I13	Prestwick02	I13	Prestw-Frag-2818	26930-17-6	-0.36	-1.20
dieH@DDDfVUnZi^@@ !Bog~wO[@}og~pOKy?lCvpO@	Compound 346	Compound 346	318	318	120.11	C6H4N2O	01P20	Prestwick01	P20	Prestw-Frag-2408	20577-27-9	-0.07	0.31
dmMH@DHDfVUzzUZ`PH@@ !Bo`BH?I_|o`B~@I^}e?rW?I_|e{t	Compound 345	Compound 345	263	263	146.15	C8H6N2O	01N05	Prestwick01	N05	Prestw-Frag-1560	119-39-1	-0.38	-1.20
foAPB@AJADILkjrmFV]@AT@@@@@ !Bog~wo[B}og~~_{@}og~w_[y?lCvwO[y?og~wOP	Compound 344	Compound 344	82	82	218.68	C12H11ClN2	1.00E+04	Prestwick01	E04	Prestw-Frag-2356	22881-33-0	-0.84	-1.52
dmN@@@ReUUiiVjh@@@@ !BH`|bT@AY@@ZX]I`s\Kup_GA|\Kt	Compound 343	Compound 343	466	466	147.22	C10H13N	02O08	Prestwick02	O08	Prestw-Frag-3750	17379-01-0	-0.06	-0.96
foAQ@@DD@dsOJ}dYhsUHPEP@@ !BKA`@obU`Zf@lQq`l`@zM}{x@KD\lQxww`@xlQp	Compound 342	Compound 342	324	324	202.26	C12H14N2O	02A06	Prestwick02	A06	Prestw-Frag-3221	277299-70-4	1.18	0.80
do~B@D@UMInUeWzV`BJj@@ !BbCv~Wx`Bo`BHOXc|b@J~@H`}bCvH@h`Bb@J~@@	Compound 341	Compound 341	311	311	211.22	C10H13NO4	01P13	Prestwick01	P13	Prestw-Frag-1731	3086-62-2	-0.33	-1.20
dcLD`EtHaIe]Vih@Jf@@ !Bo`BW@h`Bo`B~@Hc|o`BH@kx@e?rH?@	Compound 340	Compound 340	294	294	184.62	C9H9ClO2	01O16	Prestwick01	O16	Prestw-Frag-1126	2019-34-3	-0.19	-0.01
dk]H@BLDfYYwZ]NBBbh`@ !Boe~HoY^}bOr~W{y_bKv~@I^}bOrH?Kx@	Compound 34	Compound 34	444	444	178.24	C10H14N2O	02M06	Prestwick02	M06	Prestw-Frag-3738	1011-17-2	0.10	0.16
fhyq@@DTlAIekUg\eEV|EjjjB@h@@ !BZfA`ZfLXo`@lFKvHoY\eXE~~W{yTaN?FoY\eXBU`{|X	Compound 339	Compound 339	68	68	231.30	C13H17N3O	01D10	Prestwick01	D10	Prestw-Frag-1869	1021-25-6	-0.72	-0.16
dkmD`LND@HrRRqIYHYV`@j@@ !Boe|@oe~~o`BW?Hc|o`B~@Hc|o`BH?Kx@	Compound 338	Compound 338	55	55	200.26	C8H12N2O2S	01C17	Prestwick01	C17	Prestw-Frag-1076	35303-76-5	-0.53	-0.24
dmu@PITH`haIf[Ua``b`@@ !Besv~Wy\BbCvWOY\}o`BW?I\Bb@H	Compound 337	Compound 337	43	43	191.06	C7H8Cl2N2	01C05	Prestwick01	C05	Prestw-Frag-1039	144721-50-6	0.01	-0.32
dcMH`DhPbDfV]tjiZjj@@ !BKA`eX@B~FBqjXBqGo`BM}y\Bo`BW@`	Compound 336	Compound 336	469	469	188.66	C8H13ClN2O	02O11	Prestwick02	O11	Prestw-Frag-3114	79047-41-9	0.07	-0.88
dmvH@NAJUe^Uj``@@@ !Bm}rpwK]}lGvwwKy?lMrw?[\}og|	Compound 335	Compound 335	464	464	151.21	C9H13NO	02O06	Prestwick02	O06	Prestw-Frag-3749	10578-75-3	0.05	-0.48
dcN@pEBPRPrPrJPqQJSmTAD@@@ !Be{v}bOrWesvW?Ky_esv~@I\}e?r~Wp	Compound 334	Compound 334	67	67	175.15	C8H8F3N	01D09	Prestwick01	D09	Prestw-Frag-1189	54396-44-0	-0.15	-1.36
difH@AAIfuxVjj`@ !BlCv~_{B|msvpO[y?og~pOP	Compound 333	Compound 333	478	478	127.19	C7H13NO	02O20	Prestwick02	O20	Prestw-Frag-3756	89895-06-7	-0.19	0.08
fhia`@F@ykIEDdUEDejLmzjj``bbDJ@@ !Boe~H?Hb}e{vHoXc|e?rWoY_|oe~~@I^}esvW?Ky_o`@	Compound 332	Compound 332	441	441	237.30	C13H19NO3	02M03	Prestwick02	M03	Prestw-Frag-2992	35604-67-2	-0.48	0.00
f`q`@@@YIECEDdemNmzj`@@@@@@ !BesvHO[x@oe~W@i^}bKv~@I\}oe~~Wy_|epJHoY\}	Compound 331	Compound 331	194	194	211.31	C15H17N	01J16	Prestwick01	J16	Prestw-Frag-2100	6343-32-4	-1.24	-1.68
daG@@@sdi]\Iij`@ !B@KxeXFi`FBr~@Hc|o`@	Compound 330	Compound 330	146	146	111.15	C5H9N3	01H08	Prestwick01	H08	Prestw-Frag-1999	51-45-6	-0.23	-0.08
devH@NAIeUZXYiZejJH@ !BbOr~@Hb}bOrH?Hb}XBU`ZbpX	Compound 33	Compound 33	159	159	133.15	C8H7NO	01H21	Prestwick01	H21	Prestw-Frag-1374	2380-86-1	0.97	1.11
dcm@@@qJUvUpeuih@H@@ !BZfA_od\lIVB~@Hc|bCv~@Hc|bOr~@@	Compound 329	Compound 329	371	371	158.20	C10H10N2	2.00E+13	Prestwick02	E13	Prestw-Frag-2620	4238-71-5	-0.49	-1.20
dmL@P@bDbDfoe\JUjh@HcJ@@ !BVHmXeKrwO[^po[y?lCrpO[A}lCp	Compound 328	Compound 328	349	349	187.06	C9H8Cl2	02C11	Prestwick02	C11	Prestw-Frag-2566	2415-80-7	0.06	0.40
fdyq@@DJBAIeeV^WdZwfhHJJjJGJ@@ !BfuPoI\[@z^}`ZimTKrWFpL[@QrpeKymTQvN~@E~~qlBW?@	Compound 327	Compound 327	271	271	247.34	C14H21N3O	01N13	Prestwick01	N13	Prestw-Frag-1632	1587546-91-5	-0.40	-1.44
dmM@@@qJWYWBeVf@B@@ !B@KxeXFi`FBr~@I_|bOr~@Kx@b@H	Compound 326	Compound 326	240	240	144.18	C9H8N2	01L22	Prestwick01	L22	Prestw-Frag-2183	670-95-1	-0.53	-1.36
daFH@NAIYUnjjh@@ !Bmsv~_{\}lCv~_{y?lCt	Compound 325	Compound 325	426	426	115.18	C6H13NO	02K08	Prestwick02	K08	Prestw-Frag-3727	6457-49-4	0.08	0.08
dk\L@@RTfVYwkmMjXHB@@ !Be?rWo[x@e?rW@h`Bo`BWo[x@e?rW?I\}	Compound 324	Compound 324	296	296	176.17	C10H8O3	01O18	Prestwick01	O18	Prestw-Frag-1130	15074-17-6	0.05	0.39
dmM@@@eJYYvfEP@@`@@ !Bm{vpo[y?m}r~_{A}mwvwo[y?m}p	Compound 323	Compound 323	70	70	144.18	C9H8N2	01D12	Prestwick01	D12	Prestw-Frag-1878	578-68-7	-0.67	-1.44
dcnH@AAJYYwhUvj``HbJ@@ !Be?r~W{x@e{vWoXc|e?r~W{x@o`BW?@	Compound 322	Compound 322	433	433	163.22	C10H13NO	02K15	Prestwick02	K15	Prestw-Frag-2958	23972-41-0	-0.55	-1.20
dcnH@EAJ[Vu[ev`@@@@@ !Be?r~Wy^}o`BW?I_|o`BWoY_|e?rWoP	Compound 321	Compound 321	300	300	159.19	C10H9NO	01O22	Prestwick01	O22	Prestw-Frag-1133	39989-39-4	-1.08	-1.84
dcND@MBdin_WahHBh@@ !Bog~poK@}msvpOKy?og~wO[y?lGv~_p	Compound 320	Compound 320	250	250	167.21	C9H13NO2	01M12	Prestwick01	M12	Prestw-Frag-1064	645-33-0	-0.32	-1.36
dclH@@RfumVy]h@Jh`@ !Be?r~Wy^}o`BW?I_|o`BWoY_|e?rWoP	Compound 32	Compound 32	475	475	162.23	C11H14O	02O17	Prestwick02	O17	Prestw-Frag-3188	1730-48-9	-0.52	0.24
dmvH`IDHaIe]nf`@f`@@ !Bo`BW?Hc|o`B~@H`Bo`BW?Hc|o`@	Compound 319	Compound 319	150	150	169.61	C8H8ClNO	01H12	Prestwick01	H12	Prestw-Frag-2018	6873-44-5	-0.45	-0.32
dk]@@@uJVUW|HUZjfZZDh@ !BcJ_oIYNgok|wOFkoMwtwoPCiMsqj{pCi	Compound 318	Compound 318	137	137	174.25	C11H14N2	01G19	Prestwick01	G19	Prestw-Frag-1356	61-49-4	-0.40	-1.36
dg^L@KAERYYU]gVhHHh@@ !Bog~pO[\}lCrwOKy?lCvwO[]}lCr~_{@}mwt	Compound 317	Compound 317	92	92	195.22	C10H13NO3	1.00E+14	Prestwick01	E14	Prestw-Frag-2453	68599-71-3	-0.58	-1.44
dcND`EFPbDfUmff`@ih@@ !Bo`BH@i\Bo`B~@I\Bb@J~@Kx@bCvH?@	Compound 316	Compound 316	26	26	185.61	C8H8ClNO2	01B08	Prestwick01	B08	Prestw-Frag-1775	23068-80-6	-0.78	-0.96
deu@@@[IEDhcSCH@@@@@ !BbOrW?Kx@bKv~@I_|bOrH?Hb}	Compound 315	Compound 315	451	451	130.15	C8H6N2	02M13	Prestwick02	M13	Prestw-Frag-3033	91-19-0	0.23	-0.08
deTD@@[IEDhbLtE@@@@ !Boe~H@h`}esv~@Hc|oe~~Wy\}	Compound 314	Compound 314	443	443	138.17	C8H10O2	02M05	Prestwick02	M05	Prestw-Frag-2995	94-71-3	-0.47	-1.28
foAa@@F@RYWUeZLlyjjh@H@@ !Bog~wo[B}og~~_{@}og~w_[y?msvpO[y?og~pOP	Compound 313	Compound 313	364	364	203.28	C13H17NO	2.00E+06	Prestwick02	E06	Prestw-Frag-3665	39742-60-4	-0.61	-1.44
dcO@`AWPkLbbRaReM@ATp@@ !BepJ~@I\}epJW?I\}o`BH?Kx@e?rH?@	Compound 312	Compound 312	198	198	275.09	C8H10IN3	01J20	Prestwick01	J20	Prestw-Frag-2111	80663-95-2	-0.90	-1.76
dcLH`ABPRYW[ZZ@BZ`@@ !Bo`BW?Hc|o`B~@H`Bo`BW?Hc|o`BH?@	Compound 311	Compound 311	155	155	166.19	C10H11FO	01H17	Prestwick01	H17	Prestw-Frag-1368	582-83-2	-0.19	-0.08
dcn@@@Re]eRi]jj@B@@ !BbOrW?Kx@o`BW_Kx@bOrW?Kx@o`BW?@	Compound 310	Compound 310	96	96	161.25	C11H15N	1.00E+18	Prestwick01	E18	Prestw-Frag-2537	771-99-3	-0.53	0.07
deU@@@aJueQfj@@@@ !BlMr~_{\}og~wO[@}og~~_{@}	Compound 31	Compound 31	34	34	136.20	C8H12N2	01B16	Prestwick01	B16	Prestw-Frag-1818	5470-36-0	-1.46	-1.68
deuH@LHLdTTJVTLtp@P@@ !BKD\oIVMG@Kz~Wy_|e{vWOY_|	Compound 309	Compound 309	54	54	134.14	C7H6N2O	01C16	Prestwick01	C16	Prestw-Frag-2256	4570-41-6	-0.33	-0.16
devH@IAIe[ZxYfejfNh@ !BlCvpoKy?lCvpOTAjog|LYt@e	Compound 308	Compound 308	275	275	133.15	C8H7NO	01N17	Prestwick01	N17	Prestw-Frag-1645	1953-54-4	0.24	-0.88
dmLD@@QIe[VfeVi@B@@ !Bm{vwwKy?m{vwo[y?m}rw?[^}m}p	Compound 307	Compound 307	214	214	146.15	C9H6O2	01K16	Prestwick01	K16	Prestw-Frag-1000	91-64-5	-0.26	-1.20
dcLL@@G\dTRRbOKPPTQED@@ !Be{vHoY_|oe~H?I^}esv~@Hb}oe~H?@	Compound 306	Compound 306	145	145	168.19	C9H12O3	01H07	Prestwick01	H07	Prestw-Frag-1337	538-43-2	0.63	0.31
dcmH`LIPBLdTTJRvTLtp@U@@@ !BKD\oIVMG@Kz~Wy\BesvWOY_|epJWOP	Compound 305	Compound 305	102	102	180.23	C8H8N2OS	01F04	Prestwick01	F04	Prestw-Frag-1898	1747-60-0	1.10	0.55
foAQ@@IN@eMkkJlyYu@AUUD@@ !Bog~poK]}lGv~_{y?lGv~_{@}og~poKA}lCvpw@	Compound 304	Compound 304	44	44	206.29	C12H18N2O	01C06	Prestwick01	C06	Prestw-Frag-2212	21867-69-6	-0.50	-1.52
dmO@@@qTi]e\JUZZjj@@ !B@KxeXFi`FBr~@I_|bOr~@Kx@b@H	Compound 303	Compound 303	472	472	151.21	C8H13N3	02O14	Prestwick02	O14	Prestw-Frag-3753	106243-23-6	-0.23	0.24
dmuH@DdDfYUQUjjn`@ !BbCv~Wx`BesvHO[x@oe~~W{x@bCt	Compound 302	Compound 302	432	432	152.20	C8H12N2O	02K14	Prestwick02	K14	Prestw-Frag-3730	15029-30-8	0.12	0.08
dclL@@PTfUe^fWViB@`@@ !Bm{vwwKy?m{vw?[y?m}r~_{]}m{vww@	Compound 301	Compound 301	298	298	162.14	C9H6O3	01O20	Prestwick01	O20	Prestw-Frag-1131	1076-38-6	0.28	0.39
dknL@D@mR[VUvUZh@J@@ !BbOrHo[x@bOr~@I_|bOr~@Kx@bOr~@Hc|	Compound 300	Compound 300	283	283	181.19	C9H11NO3	01O05	Prestwick01	O05	Prestw-Frag-1812	30893-64-2	0.07	-1.04
dcnLPLaM@HdHrRPjIILLjmSLu@@ !BlsntNy\Bb@J~@Kx@XBVH@fAjKAb~@@	Compound 30	Compound 30	236	236	203.23	C6H5NO3S2	01L18	Prestwick01	L18	Prestw-Frag-2176	948007-59-8	-4.81	-5.02
dg}H@MlDim[gvF]iiZji`Z@@ !BlCvwO[B|og~pO[@}PFj~_pqgZdA@IRnxZd@	Compound 3	Compound 3	201	201	190.25	C11H14N2O	01K03	Prestwick01	K03	Prestw-Frag-1480	608-07-1	3.24	2.62
deVH@IAIe]ZZ@Bh@@ !Bo`BW?Hc|o`B~@H`Bo`BH@kx@	Compound 299	Compound 299	188	188	137.18	C8H11NO	01J10	Prestwick01	J10	Prestw-Frag-2070	51-67-2	-0.26	-0.08
dk^@PL@HfPrQQEQQ[JtzY``H@@ !BQrpeKt]co`A_ofMGdo^_ChAQXt]cQy|N	Compound 298	Compound 298	458	458	193.24	C10H8FNS	02M20	Prestwick02	M20	Prestw-Frag-3745	1355248-06-4	-0.20	0.16
foAQ`@DV@HrSLrkrQfgMTC@q@@@ !BIR|lQr|eXt\@oky_e?qjKpJWe{vWOSvW@KzW?@	Compound 297	Compound 297	301	301	204.19	C10H8N2O3	01P03	Prestwick01	P03	Prestw-Frag-1661	4935-96-0	-0.12	-0.08
dk^@@@Re]YTjtzjh@H@@ !Be?rH?Kx@o`BH?Kx@e?r~@I\}e?rW?I\}	Compound 296	Compound 296	66	66	175.28	C12H17N	01D08	Prestwick01	D08	Prestw-Frag-1868	31252-42-3	-0.76	-0.24
foAP@@@\RiU}eZ\lzjjX@H@@ !Bo`BWOX`}e?rW@ky_esvWO[y_e{vHo[y_oe~HoP	Compound 295	Compound 295	33	33	202.30	C13H18N2	01B15	Prestwick01	B15	Prestw-Frag-1163	87179-40-6	-0.92	-1.36
dmvH@BAIVUwaj@B`@@ !Bo`BW?Kx@b@JW@kx@o`BW?Kx@bOp	Compound 294	Compound 294	437	437	151.21	C9H13NO	02K19	Prestwick02	K19	Prestw-Frag-2968	03/06/5223	-0.06	-1.28
daFD@DCdfYRYji`@ !BXBTXKFhoFFN~@@B~XFh	Compound 293	Compound 293	389	389	113.12	C5H7NO2	02G11	Prestwick02	G11	Prestw-Frag-2713	1121-07-9	0.17	0.08
gOu@HpeKNMKT@@ !BZb|XK@B~FFN~@BqG	Compound 292	Compound 292	277	277	98.11	C4H6N2O	01N19	Prestwick01	N19	Prestw-Frag-1647	1072-67-9	-0.16	0.15
dcOLaLJaePBJf^Rf[[lZffYh@@ !BQrpeKt]co`@lQu~~e?rM}x@Ne{v~@@	Compound 291	Compound 291	259	259	187.17	C5H5N3O3S	01M21	Prestwick01	M21	Prestw-Frag-1750	140-40-9	0.07	-0.01
dg~D@CBdinU]^d{hHH@@@@ !Be?rH?Kx@e{vH?I_|e?rHoY^}e{vW?I_|e{t	Compound 290	Compound 290	39	39	189.21	C11H11NO2	01B21	Prestwick01	B21	Prestw-Frag-1183	15248-39-2	-1.26	-1.52
gOtHLpDIR{cRu@@ !B@KxeXFi`FBr~@Hc|	Compound 29	Compound 29	462	462	114.17	C4H6N2S	02O04	Prestwick02	O04	Prestw-Frag-3747	1357352-51-2	-1.05	-1.28
dcl`@@rmRfV]zE]BBbh`@ !BbCv~@Ky_b@JH@hb}e{v~@Ky_oe~WoP	Compound 289	Compound 289	430	430	164.21	C8H12N4	02K12	Prestwick02	K12	Prestw-Frag-3729	51047-52-0	-0.01	0.00
dk_@@@x|dRTJbRJmL@Jjh`@ !BbCv~@H`BbOr~@H`}oe~WoXb}oe~~Wxb}	Compound 288	Compound 288	418	418	177.25	C10H15N3	02I20	Prestwick02	I20	Prestw-Frag-3722	39244-80-9	-0.77	0.00
dewH@Dq`RYe\fFVjiV@@ !BIV@oZbpXo`BWoVLXe?rW?I^}	Compound 287	Compound 287	305	305	135.13	C6H5N3O	01P07	Prestwick01	P07	Prestw-Frag-1673	6969-71-7	-1.05	-1.52
dmwH@DhPRY[WFVh@H@@ !BbCvH?Ky_o`BHOY\}oe~~Wy\}oe|	Compound 286	Compound 286	135	135	151.17	C7H9N3O	01G17	Prestwick01	G17	Prestw-Frag-1350	7132-15-2	0.06	-0.16
dmv@@@rIRJEJUjh@@@@ !Besv~W{y_@Ky_oi\}bCv~W{y_bCt	Compound 285	Compound 285	438	438	149.24	C10H15N	02K20	Prestwick02	K20	Prestw-Frag-3733	21404-94-4	-0.30	0.24
dcLL@@PTfye]]ZhH@cB@@ !Bb@J~@H`}oe~H?I\}bCv~@Ky_oe~HOP	Compound 284	Compound 284	307	307	166.18	C9H10O3	01P09	Prestwick01	P09	Prestw-Frag-1686	529-64-6	-1.23	-1.76
dklL@@g\dTtRTqxZ@`jbFH@ !Bo`BWoX`BepJ~@H`}o`BW?Ky_bOr~@Hc|	Compound 283	Compound 283	42	42	182.22	C10H14O3	01C04	Prestwick01	C04	Prestw-Frag-2208	41038-40-8	-0.43	-0.24
deeH@DdDfYUZjk@@ !B@i\@ocvW?Hc|eu~~@Kx@oe~~	Compound 282	Compound 282	434	434	140.19	C7H12N2O	02K16	Prestwick02	K16	Prestw-Frag-3731	26391-06-0	-0.04	-0.08
dmvD`La@BLddNbReUj@@@@ !BOK\}lK\}lMr~_{^}lKv~_{y?lCt	Compound 281	Compound 281	393	393	171.21	C7H9NO2S	02G15	Prestwick02	G15	Prestw-Frag-2755	1197-22-4	-0.10	-0.08
dmtD`AdHaIe[Zf`@i`@@ !Bb@J~@H`}b@JH?H`}o`BH@i\Bb@H	Compound 280	Compound 280	254	254	170.59	C8H7ClO2	01M16	Prestwick01	M16	Prestw-Frag-1083	1450-74-4	-0.22	-1.44
fhi`b@FN|BHRYV~YYirpX@bBA`@@@ !Bo`BH?I_|o`B~@Hc|e?rHoX`Boe~~@Hb}bKvW?Hc|oe|	Compound 28	Compound 28	119	119	247.68	C13H10ClNO2	01F21	Prestwick01	F21	Prestw-Frag-1319	13278-36-9	-2.88	-3.35
fleQB@CQDBPRYW[Ue^c@q`@fjjjH@@ !Bb@J~@H`}bOrH?Hb}bOr~@Hb}bOrHoXc|o`BHoX`BbOrHoX`B	Compound 279	Compound 279	204	204	264.34	C15H21FN2O	01K06	Prestwick01	K06	Prestw-Frag-3692	98897-36-0	-0.28	-0.16
fdiqB@BJmHDPdsN}jrlyA@SUUP@@ !BbCvH@ky_o`BHOX`}oe~~Wy^}bKvH@hb}bOrHo[x@bOrW?@	Compound 278	Compound 278	134	134	269.77	C13H20ClN3O	01G16	Prestwick01	G16	Prestw-Frag-3120	891-60-1	-0.15	0.07
fhiAb@G^BBPRYWYVvhsQh@H@JX@@@ !Bb@J~@H`}bOrH@hb}bOr~@Hb}bOrH?Hb}o`BH?I\Bb@H	Compound 277	Compound 277	95	95	232.21	C13H9FO3	1.00E+17	Prestwick01	E17	Prestw-Frag-1239	22510-33-4	-1.13	-1.36
dmNH@DAIee^neVhHB@@ !Bo`BH?I_|o`B~@I^}e?rW?I_|e{t	Compound 276	Compound 276	442	442	147.18	C9H9NO	02M04	Prestwick02	M04	Prestw-Frag-3735	1196-38-9	-0.18	-0.24
f`qQP@DX@ISoILrl{jsfcMUMMUUbduCP@ !BgpzMtFMGgpxlFI|NXt\eX@B~Xt\XKFi`o`A`Zhc|	Compound 275	Compound 275	395	395	228.20	C9H12N2O5	02G17	Prestwick02	G17	Prestw-Frag-2769	951-78-0	0.09	-0.08
dg}@`AlIAIe]YVfNx@Jjh`@ !Bog~wo[B}og~~_{B}og~pO[y?lCrpo[@}lMp	Compound 274	Compound 274	376	376	194.25	C11H15FN2	2.00E+18	Prestwick02	E18	Prestw-Frag-3673	70931-28-1	-1.00	-0.24
dg}D@DpFRYUnuJcmjf`@bJH@ !BKA`@obU`Zf@XKFAjBxQTaFi`{~dKa@nD{~d	Compound 273	Compound 273	375	375	190.20	C10H10N2O2	2.00E+17	Prestwick02	E17	Prestw-Frag-2652	6843-49-8	-0.17	-1.44
daFH@JAIYUnh@@@@ !Bmsv~_{@}msv~_{y?mst	Compound 272	Compound 272	302	302	109.13	C6H7NO	01P04	Prestwick01	P04	Prestw-Frag-2304	100-55-0	-0.06	-0.08
dmuH@DHDf{eYUj`@Hq@@ !Bog~pO[\}msr~_{\}lCv~_{y?lCt	Compound 271	Compound 271	258	258	150.18	C8H10N2O	01M20	Prestwick01	M20	Prestw-Frag-1099	6485-67-2	-0.22	0.07
dmvH@AAJYUgehHJBJH@ !Boe~H@i\}bCv~@Ky_oe~W?Hc|bCt	Compound 270	Compound 270	241	241	151.21	C9H13NO	01M03	Prestwick01	M03	Prestw-Frag-1691	1519-94-4	0.11	-0.16
f`qP`@DBAyIfuvU~Blyjjh@J@@@ !BlCv~_{@|m{vpo[y?og~po[y?msvpO[y?og~po[y?	Compound 27	Compound 27	158	158	220.27	C12H16N2O2	01H20	Prestwick01	H20	Prestw-Frag-2047	67914-60-7	-2.09	-1.28
dieD@BxDR[e^Eh@@@@ !BlCvpoKy?lCvwO[y?og~wOP	Compound 269	Compound 269	227	227	124.10	C5H4N2O2	01L09	Prestwick01	L09	Prestw-Frag-1495	98-97-5	0.04	-0.01
do~L`CI]CDrJJIJEQYa``bfh@@ !BepJ~@I\}bOrW?I\Bo`BWO[x@e?rW?Hc|o`B~@@	Compound 268	Compound 268	210	210	274.11	C10H12BrNO3	01K12	Prestwick01	K12	Prestw-Frag-3704	no CAS	-0.36	-0.08
fhy`@@@ISKNl{tXjw`uTD@@DDHT@@ !Be{v~@I\Boe~W?Kx@e{vHoY_|epJ~Wxc|esvHOXb}bOp	Compound 267	Compound 267	195	195	223.32	C16H17N	01J17	Prestwick01	J17	Prestw-Frag-1444	155413-72-2	-1.30	-1.84
dklL@@RTfVyWtvj``BLH@ !BepJ~@I^}b@J~Wy_|esvHOY^}oe~~Wx`}	Compound 266	Compound 266	169	169	180.20	C10H12O3	01I11	Prestwick01	I11	Prestw-Frag-1406	3967-53-1	-0.21	-0.16
f`qA`@@HddrsLk~gV|uATEDP@@ !Boe~HoY^}bGrW_Ky_bKv~@Kx@e{vWOXa|bOr~W{x@	Compound 265	Compound 265	163	163	220.27	C13H16O3	01I05	Prestwick01	I05	Prestw-Frag-1382	25485-88-5	0.09	0.07
foA``@C@heMrkj|dZuAAEUD@@ !Be?rH?Kx@e{vH?I_|e?rHoY^}e{vW?I_|e{vWoP	Compound 264	Compound 264	99	99	207.27	C12H17NO2	1.00E+21	Prestwick01	E21	Prestw-Frag-1275	13485-59-1	-0.70	-0.08
daG@`DK`bDfUzZ@B@@ !Bo`BH?I_|o`B~@I_|o`@	Compound 263	Compound 263	61	61	129.55	C4H4ClN3	01D03	Prestwick01	D03	Prestw-Frag-1184	5469-69-2	-0.26	-0.16
dg~H@BAIfYU^Svz`@@@Hb`@ !BesvW@ky_esv~@I^}bKvW@i_|oe~~W{x@bKt	Compound 262	Compound 262	50	50	185.23	C12H11NO	01C12	Prestwick01	C12	Prestw-Frag-2238	31796-72-2	-0.66	-0.16
dmNH`ATIAIe[^fFX@Jd`@ !BbCvH@ky_bCvHO[y_XFi`IRqG@Kx	Compound 261	Compound 261	366	366	151.14	C8H6FNO	2.00E+08	Prestwick02	E08	Prestw-Frag-3667	56341-41-4	-0.23	-1.20
fhya`@G@iIJYW]YWENB|F``Jjjbai@@ !BKrTlQ{y_epIcQy\}esvW?I\Bo`BW?I^}o`BW?I\Bo`@	Compound 260	Compound 260	399	399	235.28	C13H17NO3	02G21	Prestwick02	G21	Prestw-Frag-2789	No CAS	-0.50	-1.36
f`a`P@N@QYvQQJZIYJFRfijjfd@@ !BesvW@ky_o`BWOX`}oe~W@ky_bCvHO[y_oe~H@h`}	Compound 26	Compound 26	237	237	225.24	C11H15NO4	01L19	Prestwick01	L19	Prestw-Frag-1547	17438-14-1	-1.89	-1.60
dk]H@DHDfYyWImMjdHB@@ !BKA`@obU`Zf@lQq`lc_^@Ckx@KD\lQx@N	Compound 259	Compound 259	218	218	174.20	C10H10N2O	01K20	Prestwick01	K20	Prestw-Frag-1028	89-25-8	0.76	0.31
dieH@LXDeYeajif@@ !BKrWi{r|eQrpeKt]co`A_o`	Compound 258	Compound 258	205	205	126.16	C6H10N2O	01K07	Prestwick01	K07	Prestw-Frag-1517	1615-15-2	-0.20	-0.16
dg^D@CBldTtRRJWSPPQU@@@ !BepJH@i\}o`B~Wy_|ewrWO[x@o`BH_Kx@bOp	Compound 257	Compound 257	175	175	195.26	C11H17NO2	01I17	Prestwick01	I17	Prestw-Frag-1446	13078-76-7	-0.19	-0.32
dmvD`La@BLddJfReUj@@@@ !B@Ky_okx@oe~H?I\}bCv~W{y_bCt	Compound 256	Compound 256	154	154	171.21	C7H9NO2S	01H16	Prestwick01	H16	Prestw-Frag-2023	5183-78-8	-0.20	-0.08
dieD@DpFrJIJFnZii@@ !Bo`BH@i\Bo`B~@Hc|e?r~@@	Compound 255	Compound 255	148	148	126.11	C5H6N2O2	01H10	Prestwick01	H10	Prestw-Frag-2017	65-71-4	-0.13	-0.08
dk]H@DxLbbTRaR[mMje@B@@ !Boe~WoXb}oe~H?Ky_bKvHo[x@bOrH?Kx@	Compound 254	Compound 254	440	440	172.19	C10H8N2O	02K22	Prestwick02	K22	Prestw-Frag-3734	22433-69-8	-0.26	-0.96
gFtHE`DILiluH@ !Bog}gTraSZa|eGp	Compound 253	Compound 253	312	312	100.14	C3H4N2S	01P14	Prestwick01	P14	Prestw-Frag-2373	872-35-5	-1.25	-1.28
dmvD@D@dfWeYUj`@@@ !BepJ~@I\}bOr~Wy\}bCv~W{y_bCt	Compound 252	Compound 252	116	116	151.16	C8H9NO2	01F18	Prestwick01	F18	Prestw-Frag-1961	5330-97-2	-0.30	-1.28
gOp`@dfUMZjhZ@@ !BXqajXE~~QrpeXKx@	Compound 251	Compound 251	480	480	100.12	C5H8O2	02O22	Prestwick02	O22	Prestw-Frag-3757	108-29-2	-0.06	0.24
dcLL@@YTf[gtYZB@h@@ !Bb@J~@Hb}b@JW@h`}o`B~@I\Bo`BH?@	Compound 250	Compound 250	385	385	166.18	C9H10O3	02G07	Prestwick02	G07	Prestw-Frag-2701	552-41-0	0.06	-0.08
f`qa`@D@MYIeVuUV\Uijh@Jj@@@ !BCC`mlLBYXk@xCLBFo`BHoXc|bOrHoXb}bOrH?Hb}	Compound 25	Compound 25	398	398	221.26	C12H15NO3	02G20	Prestwick02	G20	Prestw-Frag-3698	20295-64-8	-0.73	-1.44
fly``@E@ReMkkMkkNT@EUUUDID@@ !Bb@JW@kx@bKvH?H`BbKvH?Hb}bOr~Wxb}o`BH?I_|bKvH?Hb}	Compound 249	Compound 249	323	323	265.40	C16H27NO2	02A05	Prestwick02	A05	Prestw-Frag-2440	14367-47-6	-0.23	-1.28
dg]L`LfDD@cIIBhhd]ikTC@P@@ !B@Ky_oky_o`BHOY\Bb@J~Wxc|o`B~@Hc|o`@	Compound 248	Compound 248	303	303	214.24	C8H10N2O3S	01P05	Prestwick01	P05	Prestw-Frag-1667	1694-06-0	0.07	-0.16
do~D@CBldTtRRJTzZBBJj@@ !Besv~@I\Boe~~@I\}esvH?Ky_oe~Wo[y_e{vHoP	Compound 247	Compound 247	173	173	209.29	C12H19NO2	01I15	Prestwick01	I15	Prestw-Frag-1445	51012-67-0	-0.12	-0.08
gF|@AbeLzmU@@ !BFBqjKqaco`@@o`	Compound 246	Compound 246	107	107	85.11	C3H7N3	01F09	Prestwick01	F09	Prestw-Frag-1268	65767-07-9	-0.47	-0.08
devD@LADfUUJaej`@@@ !B_{ySYuLhGvh_I[^}m}rwwK\}	Compound 245	Compound 245	59	59	135.12	C7H5NO2	01C21	Prestwick01	C21	Prestw-Frag-1087	59-49-4	-0.27	-0.01
fhiPb@MAxhDPdrnk\kQg`p@UMUQ@@@ !Bog~w_[A}og~~_{@}og~p_[y?msvpO[y?lCrpO[@}lCp	Compound 244	Compound 244	40	40	254.71	C12H15ClN2O2	01B22	Prestwick01	B22	Prestw-Frag-1832	143999-83-1	-1.08	-1.28
dg@@@`ldRbfTJU\]`QD@@@@ !Be{v~@I_|b@JW@i\}o`B~@I_|oe~WOY\}oe|	Compound 243	Compound 243	5	5	185.23	C11H11N3	01A07	Prestwick01	A07	Prestw-Frag-1003	81819-90-1	-0.88	-0.32
dmuD`LzD@HrRRqQZUV``@@@ !Bb@J}b@JWesvW@ky_o`BWOY\}oe|	Compound 242	Compound 242	329	329	172.20	C6H8N2O2S	02A11	Prestwick02	A11	Prestw-Frag-2473	3306-62-5	0.04	0.16
dcNH@EAJ[WV[j@BjHd`@ !Bog~poK\}lCv~_{y?lCv~_{A}lCr~_p	Compound 241	Compound 241	162	162	165.24	C10H15NO	01I04	Prestwick01	I04	Prestw-Frag-3342	3706-26-1	-0.24	-0.16
dcND@D@dfyyU]Zj@@cB@@ !Bm{vwwKy?msvpO[y?msvpO[y?og~pOP	Compound 240	Compound 240	91	91	165.19	C9H11NO2	1.00E+13	Prestwick01	E13	Prestw-Frag-1200	13532-52-0	-0.43	-1.52
dcm@`BhICHhhdhTwKlAAUD@@ !BepJWO[x@e?r~Wy_|o`AGXqacZb|eKp	Compound 24	Compound 24	473	473	166.20	C9H11FN2	02O15	Prestwick02	O15	Prestw-Frag-3150	1133115-40-8	-0.14	0.24
dmM@@@cIEDhTbjUfh@D@@ !BQrpeK{x@QvM_oi\Bb@J~@Kx@bOp	Compound 239	Compound 239	75	75	144.18	C9H8N2	01D17	Prestwick01	D17	Prestw-Frag-3759	1126-00-7	-0.29	-0.01
dg~`@@pjOIEEDiTlwZXEAUTP@@ !BepJ~Wy\}o`BHoY^}oe~W?Hc|o`B~@H`Bo`@	Compound 238	Compound 238	71	71	193.25	C9H15N5	01D13	Prestwick01	D13	Prestw-Frag-1204	57005-71-7	-0.40	0.07
difH`Ax@aJY~rjYf`@ !BQrpeKt]co`A_ohc|bKv~@@	Compound 237	Compound 237	19	19	141.19	C6H7NOS	01A21	Prestwick01	A21	Prestw-Frag-1019	4461-29-4	-0.24	-0.01
fhqAA`O@dDRFI@taZP]HYEHXdhmHhJUT@EUTPt`@ !BepK|bKvWe?rWO[x@epJW@kx@esv~@I\}?I^}bHc|e?p	Compound 236	Compound 236	415	415	258.16	C10H8F6O	02I17	Prestwick02	I17	Prestw-Frag-2849	127852-28-2	-0.34	-0.96
dmvD@D@dfueYUj`@@@ !BlKvpwKy?msv~_{\}lCv~_{y?lCt	Compound 235	Compound 235	355	355	151.16	C8H9NO2	02C17	Prestwick02	C17	Prestw-Frag-2578	621-88-5	-0.19	0.00
dknD@IADfvYWtvj``BBh@ !BbCv~Wx`BbCvH@ky_bMv~@H`}b@JH?Kx@	Compound 234	Compound 234	292	292	179.22	C10H13NO2	01O14	Prestwick01	O14	Prestw-Frag-1125	3060-41-1	-0.06	0.15
gO|@ABeKMXD@@@ !Boe~W@i\}o`BWOY_|	Compound 233	Compound 233	190	190	95.11	C4H5N3	01J12	Prestwick01	J12	Prestw-Frag-2072	5469-70-5	-0.18	-0.01
f`iP`@E^AQJYW]e\TxIwjB@jjh`@@ !BKrTlQ{y_epIcQy\}esvW?I\Bo`BH?I_|o`B~@I\B	Compound 232	Compound 232	183	183	220.27	C12H16N2O2	01J05	Prestwick01	J05	Prestw-Frag-1397	32231-06-4	-0.60	-1.28
dmv@pIBPRPrPrJPqIPUj`B@@@ !BepK|bKvWewr~@I\}ewrW?Kx@est	Compound 231	Compound 231	141	141	161.13	C7H6F3N	01H03	Prestwick01	H03	Prestw-Frag-1322	2646-97-1	0.29	0.15
dk^@@@ReUyVftzjh@Hbj@@ !BTwl@oh[oCGnpKYgooe~WOX`}oe~~Wx`}	Compound 230	Compound 230	408	408	175.28	C12H17N	02I10	Prestwick02	I10	Prestw-Frag-3712	7500-40-5	-0.85	-1.36
daG@@@cdiY\JVj`@ !BZb|XK@B~FFN~@BqGXFh	Compound 23	Compound 23	422	422	111.15	C5H9N3	02K04	Prestwick02	K04	Prestw-Frag-3724	5272-86-6	-1.19	-1.52
fhiPb@FR|DDPdrm|lmSegPADA@p@@@ !Bo`BH?I_|o`B~@Hc|e?rHo[y_bOrHo[x@bKvH?I\Bb@H	Compound 229	Compound 229	407	407	248.67	C12H9ClN2O2	02I09	Prestwick02	I09	Prestw-Frag-2807	57978-41-3	-0.34	0.00
gOt@AdigkB@@@ !BepJ~W{x@esvWO[y_	Compound 228	Compound 228	325	325	94.12	C5H6N2	02A07	Prestwick02	A07	Prestw-Frag-2443	504-29-0	0.09	0.32
daFH@DAIfUnZiX@@ !BesvW@ky_esv~@I\}oe|	Compound 227	Compound 227	320	320	109.13	C6H7NO	01P22	Prestwick01	P22	Prestw-Frag-2410	694-85-9	-0.12	-1.12
deWH@DJPRY[TYZ`@@@ !BbCvH@ky_o`BWOX`}oe~~Wx`}	Compound 226	Compound 226	187	187	137.14	C6H7N3O	01J09	Prestwick01	J09	Prestw-Frag-1419	54-85-3	-0.26	-0.16
fdyAC@M@dDRFICHiCDeeMDdJPXuP@SUTP@@ !Boe|@oe~~oe~WoXb}oe~~Wxb}oe~WOX`}oe~H?Hb}bCvH?@	Compound 225	Compound 225	138	138	256.27	C14H15F3O	01G20	Prestwick01	G20	Prestw-Frag-3334	419543-02-5	-0.21	-1.12
daED@DpFRYUJfjZbh@ !BKA`eX@B~FBqjXKx@XFh	Compound 224	Compound 224	115	115	114.10	C4H6N2O2	01F17	Prestwick01	F17	Prestw-Frag-1311	55147-68-7	-0.36	-1.28
dmvH@FCHhhhdYUhJ@Hp`@ !BbCv~Wx`BesvHOX`}o`B~W{y_bCt	Compound 223	Compound 223	112	112	149.19	C9H11NO	01F14	Prestwick01	F14	Prestw-Frag-1941	16735-19-6	-0.18	-0.16
do~L@JAErJYJJJIFwZj`X@@@ !B?Hb}b@B~?H`@o`JH@i\@ocvH@Kx}e?rH?H`}b@	Compound 222	Compound 222	94	94	207.23	C11H13NO3	1.00E+16	Prestwick01	E16	Prestw-Frag-2487	99855-42-2	0.04	-0.40
dklL@@PlbfdQbRtvjh@@@@ !Bog~wo[B}lCw}msrpog~wO[@}og~~_{@}	Compound 221	Compound 221	49	49	180.20	C10H12O3	01C11	Prestwick01	C11	Prestw-Frag-1053	943-45-3	0.07	0.39
dcLL`HSPBLddLrVPrm@AP@@ !B@Ky_oky_o`BWOX`}oe~~Wx`}oe~WoP	Compound 220	Compound 220	46	46	186.23	C8H10O3S	01C08	Prestwick01	C08	Prestw-Frag-2234	22821-77-8	-0.40	-0.08
foAAB@A@qDfUvyVcKN`@f@@@@@ !Bog~w_[A}og~~_{C}og~wO[@}og~pOKA}lCvpw@	Compound 22	Compound 22	425	425	261.12	C13H9BrO	02K07	Prestwick02	K07	Prestw-Frag-2912	90-90-4	-1.94	-2.87
devH@NAIfVVGiZjYjDh@ !Bog~pO[\}og}@Zky?PBVwOPqg	Compound 219	Compound 219	379	379	135.17	C8H9NO	2.00E+21	Prestwick02	E21	Prestw-Frag-2675	13754-86-4	0.11	-0.08
f`q``@C@heMrkloIF]PPQUTTED@@ !Be?rH?Kx@e{vH?I_|e?rHoY^}e{vW?I_|oe~WoY^}	Compound 218	Compound 218	97	97	221.30	C13H19NO2	1.00E+19	Prestwick01	E19	Prestw-Frag-1273	5852-92-6	-0.29	0.23
dkn@@@rQRJjIKSjj`@@@ !BlMr~_{@|OK]}lK\}og~wO[@}og~~_{@}	Compound 217	Compound 217	38	38	177.29	C12H19N	01B20	Prestwick01	B20	Prestw-Frag-1826	126541-78-4	-0.40	-0.08
daDH@@RYVih@H@@ !BepJ~@I\}epJW@i\}o`@	Compound 216	Compound 216	30	30	108.14	C7H8O	01B12	Prestwick01	B12	Prestw-Frag-1791	108-39-4	-0.80	-1.04
fhiQb@LV`cp@cIICEDdebeVLyZhJBJ`@@ !B@Ky_oky_o`BWOX`}e?rH?Ky_oe~~@Kx@bCvH?Kx@bOp	Compound 215	Compound 215	342	342	256.32	C11H16N2O3S	02C04	Prestwick02	C04	Prestw-Frag-3313	121751-67-5	-0.02	0.00
dg]@@@{IHddUDd]uUT@@@@ !BW{xBb@JWoY\@o`B~W{x}eu~~@i\}esvW?I\	Compound 214	Compound 214	142	142	192.31	C12H20N2	01H04	Prestwick01	H04	Prestw-Frag-1993	1665-59-4	-0.30	-0.16
dg^H@FAIfUWhUjBBJbHh@ !BbCv~Wx`BesvHO[x@oe~~Wxc|bCvH?OrWoX`	Compound 213	Compound 213	2	2	193.29	C12H19NO	01A04	Prestwick01	A04	Prestw-Frag-1929	18366-40-0	-0.34	-0.24
dclL@@YTfYWtfFV``J`@@ !BIV@oZbpXo`BWOVLXe?rW?I\}e?r~@@	Compound 212	Compound 212	161	161	164.16	C9H8O3	01I03	Prestwick01	I03	Prestw-Frag-1362	15832-09-4	-0.12	-0.16
deTD@@YIfyqehH@@@ !BlCv~_{B|lCvwO[@|og~~_{\}	Compound 211	Compound 211	72	72	136.15	C8H8O2	01D14	Prestwick01	D14	Prestw-Frag-1884	118-93-4	-0.17	-1.36
f`qP`@D\AKHheMEMBerSoMTmP@P@@ !BesvW@ky_o`@XXt]cIR}`ZfhoKvjDB|[@XFi`Zl[@	Compound 210	Compound 210	394	394	216.24	C12H12N2O2	02G16	Prestwick02	G16	Prestw-Frag-3690	60986-88-1	-0.42	-1.12
dmO@@@sdifuzzUB@@@@@ !BbOrW?Hb}o`B~@I^}e?rW?I_|e{t	Compound 21	Compound 21	382	382	145.16	C8H7N3	02G04	Prestwick02	G04	Prestw-Frag-3679	05/05/5424	-1.91	-1.60
gFt@ATiTt@@@ !Bmsr~_{\}msv~_p	Compound 209	Compound 209	339	339	80.09	C4H4N2	02A21	Prestwick02	A21	Prestw-Frag-2501	290-37-9	0.00	0.08
dco@@@`Tieg\jWYjB@P@@ !BZfA_ofAjQrpeXHPKqlB~@FAjXFkFp@	Compound 208	Compound 208	279	279	159.19	C9H9N3	01N21	Prestwick01	N21	Prestw-Frag-1648	826-85-7	-0.34	-1.28
dg}@@@UJeWe^nNzjhHB@@ !Be?rH?Ky_o`B~@H`}bOr~Wx`Bo`BHoX`}bOp	Compound 207	Compound 207	186	186	190.29	C12H18N2	01J08	Prestwick01	J08	Prestw-Frag-2060	1205-72-7	-0.05	-0.01
f`aa`@C@QIIem[WQJZ`BJj@@@ !Bog~wo[B}m}rpwKy?lGvpO[C\og~po[@}lMrp_[C\	Compound 206	Compound 206	52	52	223.27	C12H17NO3	01C14	Prestwick01	C14	Prestw-Frag-2253	1096863-52-3	-0.90	-0.24
dmuH@DDDfVUyUjB@@@ !BbCvH@ky_o`BHOY\}bOr~W{y_est	Compound 205	Compound 205	401	401	150.18	C8H10N2O	02I03	Prestwick02	I03	Prestw-Frag-2794	4314-66-3	0.17	0.00
dg}@@@qJYWyVnNp`b@@@@ !Be?r~W{x@esvWOX`Boe~~@H`BepJ~@Kx@e?p	Compound 204	Compound 204	199	199	184.24	C12H12N2	01J21	Prestwick01	J21	Prestw-Frag-1475	6935-27-9	-1.06	-1.68
dcLHpEBPRPrPrJPqIYCMT@E@@@ !Bo`@@oe~~o`BW?Hc|o`B~@H`Bo`BH@`	Compound 203	Compound 203	196	196	176.14	C8H7F3O	01J18	Prestwick01	J18	Prestw-Frag-2108	402-52-8	-0.12	-1.20
dknD@CBldTtRRJzZBBJ`@@ !Besv~@I\Boe~~@I\}esvH@ky_oe~Ho[y_	Compound 202	Compound 202	174	174	181.24	C10H15NO2	01I16	Prestwick01	I16	Prestw-Frag-3454	635-85-8	-0.13	-0.08
dcM@`ND@cIDeEDbnuPL@@@ !Bm}rpwK_}lOvwwKy?og~pwK]}msv~_p	Compound 201	Compound 201	60	60	180.27	C9H12N2S	01C22	Prestwick01	C22	Prestw-Frag-2348	10378-69-5	0.25	0.71
do~D@IAdiee~tUhJBJh@@ !BOY\@o`JWW{{|b@B~OY\}epB~W{xBb@JW@Kx@o`	Compound 200	Compound 200	133	133	209.29	C12H19NO2	01G15	Prestwick01	G15	Prestw-Frag-1345	855839-32-6	-0.51	-0.32
dg@@@VtjYU_^V]jB`bh@@ !Boe~W?Hc|esvHO[x@o`B~W{y_b@JHo[x@oe|	Compound 20	Compound 20	372	372	191.28	C11H17N3	2.00E+14	Prestwick02	E14	Prestw-Frag-3670	16153-81-4	0.65	0.95
dmO@PByPbIBDfY{VFUfiZZ@@ !BbCvH@ky_o`BHOX`}XFj~WrqGXBT	Compound 2	Compound 2	225	225	185.63	C6H4ClN3S	01L07	Prestwick01	L07	Prestw-Frag-1492	30536-19-7	-1.34	-1.68
dg~D@CBdinU]^d{hHHjb@@ !Be?rH?Kx@e{vH?I_|e?rHoY^}e{vW?I_|e{t	Compound 199	Compound 199	109	109	193.25	C11H15NO2	01F11	Prestwick01	F11	Prestw-Frag-1276	03/12/2328	-0.33	-0.16
dmvD`La@BLddlRVFUh@H@@ !Boe|@oe~~o`BW@h`Bo`B~@H`Bo`@	Compound 198	Compound 198	78	78	171.21	C7H9NO2S	01D20	Prestwick01	D20	Prestw-Frag-1894	70-55-3	-0.38	0.07
dcnD@JALbbTTJS\nmT`A@@@ !Be?rWo[x@e?rH?I_|o`BWoY_|e?rWoP	Compound 197	Compound 197	3	3	161.16	C9H7NO2	01A05	Prestwick01	A05	Prestw-Frag-1001	1635-31-0	0.68	-0.01
dknL@DA]RYYUfSZ``X@@ !Bog~p_[]}lMrwwKy?lGvw_[\}og~pwKy?	Compound 196	Compound 196	351	351	179.18	C9H9NO3	02C13	Prestwick02	C13	Prestw-Frag-2576	495-69-2	0.18	0.56
fdiaP@D@tXL\bbTTRTRnbgMPTCQLPH`@ !Boe~HOY\}bGrW_Ky_o`BHOY\}e{vW_Ha|bGr~Wx`}oe~H_@	Compound 195	Compound 195	229	229	251.24	C12H13NO5	01L11	Prestwick01	L11	Prestw-Frag-1499	6094-36-6	0.09	0.15
dmtD@@QIn[VUZh@BLH@ !Bog~pO[\}og~wOK\}lCv~_{y?lCt	Compound 194	Compound 194	62	62	150.18	C9H10O2	01D04	Prestwick01	D04	Prestw-Frag-1859	492-37-5	-0.02	-0.01
dknH@FAIfUWaVhHHhbJ@@ !Bog~w_[A}m}r~_{C\mwvwO[A}og~pwKy?	Compound 193	Compound 193	20	20	179.26	C11H17NO	01A22	Prestwick01	A22	Prestw-Frag-2168	4164-21-0	-0.58	-0.16
die@pJxIAICICHiCDnFjfd@@ !Boe|@oe~~oe|XXt]cIR}jKp	Compound 192	Compound 192	424	424	136.08	C4H3F3N2	02K06	Prestwick02	K06	Prestw-Frag-3726	20154-03-4	0.30	0.00
dg~`@@rmOIEDhldcPjXPTUTP@@ !BepJ~W{x@esvWoY_|bOr~W{x@o`BWoXc|o`@	Compound 191	Compound 191	336	336	193.25	C9H15N5	02A18	Prestwick02	A18	Prestw-Frag-3262	96225-96-6	-0.17	-0.08
dieH@DpDfUff`@h@@ !BepJ~@I\}epJW@i\}o`BWOP	Compound 190	Compound 190	330	330	124.14	C6H8N2O	02A12	Prestwick02	A12	Prestw-Frag-3247	108-79-2	0.01	0.08
deUD@FdDR[VTYZZZP@ !BlCvpOKy?mwv~_raSYuLeGvh_	Compound 19	Compound 19	463	463	138.13	C6H6N2O2	02O05	Prestwick02	O05	Prestw-Frag-3090	3465-72-3	-1.08	-1.60
difH`JD@cIEDd\jfZh@@ !BZfA_od\lXFheXKx@qlA`Z`	Compound 189	Compound 189	256	256	143.20	C6H9NOS	01M18	Prestwick01	M18	Prestw-Frag-1098	137-00-8	-0.60	-0.16
gF|HLZ@aJYuif@@ !BQrpeKt]co`A_o`	Compound 188	Compound 188	216	216	101.13	C2H3N3S	01K18	Prestwick01	K18	Prestw-Frag-1009	4005-51-0	-0.33	-0.40
deUH@DHDfVuFVh@@@@ !BbCvH@ky_o`BWOX`}oe~~Wx`}	Compound 187	Compound 187	189	189	136.15	C7H8N2O	01J11	Prestwick01	J11	Prestw-Frag-1420	613-94-5	-0.31	-0.16
flepb@BZSIPHaIf]V_eV\bfB@ijjh`@@ !Bo`BW?Hc|esv~@Kx@bOrH?Kx@o`BHoXc|bOrHo[x@bOrH?Kx@	Compound 186	Compound 186	184	184	283.76	C13H18ClN3O2	01J06	Prestwick01	J06	Prestw-Frag-2058	No CAS	-0.36	-0.01
digH@LxPRfuVz`@`@@ !Bog~pOK@}msv~_{y?msvwOP	Compound 185	Compound 185	25	25	125.13	C5H7N3O	01B07	Prestwick01	B07	Prestw-Frag-1154	696-45-7	-0.03	-1.36
dg}H@DLDfYeUyO[ZhJBH@@ !Besv~Wy\Be{vHo[x@esv~W{y_e?rW@hb}est	Compound 184	Compound 184	378	378	190.25	C11H14N2O	2.00E+20	Prestwick02	E20	Prestw-Frag-3677	13754-38-6	-0.65	0.08
do~H`CDIAIe]mVih@Ijj@@ !BbOr~@Hb}bOrH?H`}bOr~@H`}bOrHOXc|bCv~@@	Compound 183	Compound 183	206	206	209.26	C12H16FNO	01K08	Prestwick01	K08	Prestw-Frag-3693	148942-00-1	-0.60	-1.28
dcnH@JCIDeCDdUKmUP@QFT@@ !Bo`BWoY_|e?rWo[x@bOrW?Kx@o`BW@`	Compound 182	Compound 182	400	400	163.22	C10H13NO	02G22	Prestwick02	G22	Prestw-Frag-3705	138713-44-7	-0.30	-1.36
dieH@DDDfyWaZ@@@@ !BlCvpoKy?msvpO[y?og~pOP	Compound 181	Compound 181	361	361	122.13	C6H6N2O	2.00E+03	Prestwick02	E03	Prestw-Frag-2587	1453-82-3	0.25	0.08
foQp@@@TdeLr{vdhIUgMSMUUM@a@@ !BKvhlFI\}o`AcF@B~e?rW?OrWo`BM}xAQa@oF{p	Compound 180	Compound 180	85	85	201.27	C12H15N3	1.00E+07	Prestwick01	E07	Prestw-Frag-1164	2948-92-7	-0.18	-0.24
foAq@@DDXAIfY[wIrsfjfB@`@@ !BKA`eX@B~FBpoZbqGZfB~@Ng@fpm`Zb}jKvj[Bp	Compound 18	Compound 18	32	32	203.25	C11H13N3O	01B14	Prestwick01	B14	Prestw-Frag-1807	83-07-8	-0.46	-0.16
daFH@NAIYUnh@@@@ !Bmsv~_{\}lCv~_{y?lCt	Compound 179	Compound 179	58	58	109.13	C6H7NO	01C20	Prestwick01	C20	Prestw-Frag-2303	586-95-8	-0.35	-0.01
f`qQ@@BR@djrnrhiN}UUU@A@@@ !Bmsv~_{\}og~wo[B}og~~_{A}og~wO[@}og~~_{B}	Compound 178	Compound 178	4	4	220.32	C13H20N2O	01A06	Prestwick01	A06	Prestw-Frag-1944	67514-07-2	-0.31	0.31
deUH@DdDfVY[fjVx@@ !BepJ~@I\}epJ~Wy\Besv~@Ky_	Compound 177	Compound 177	377	377	134.14	C7H6N2O	2.00E+19	Prestwick02	E19	Prestw-Frag-2669	4241-27-4	-0.34	0.08
dcLL@@RlbbTLRRzuT@AFT@@ !BepJ~@I\}bOrW?Ky_esvHO[y_oe~HOP	Compound 176	Compound 176	321	321	166.18	C9H10O3	02A03	Prestwick02	A03	Prestw-Frag-2423	4358-87-6	0.02	0.16
diTD@@iJYWrnF``H@@ !BGrTLY{y?m}qSY{]}m{vww@	Compound 175	Compound 175	280	280	122.12	C7H6O2	01N22	Prestwick01	N22	Prestw-Frag-2299	274-09-9	-0.52	0.23
diW@@@KdiYVfxVjUjDh@ !BepJH@kx@XBV~@Hc|KAa`Z`	Compound 174	Compound 174	191	191	119.13	C6H5N3	01J13	Prestwick01	J13	Prestw-Frag-1428	271-73-8	-0.31	-0.08
deUH@DhDfvUFVh@@@@ !BepJ~@I\}oe~HOY\}oe~~Wy\}	Compound 173	Compound 173	120	120	136.15	C7H8N2O	01F22	Prestwick01	F22	Prestw-Frag-1971	5451-39-8	-0.17	-1.20
do}H@ILDim]UYnh@Jjh@@ !BbOr~W{x@bKvH?Hc|bCvH?H`}b@JHOX`BbCv~@@	Compound 172	Compound 172	74	74	208.31	C12H20N2O	01D16	Prestwick01	D16	Prestw-Frag-1887	65875-39-0	-0.14	-1.12
digDAHK`RISdfyUnZfi@@ !BdmB@CfLXZfA_od\lIVB~@@	Compound 171	Compound 171	65	65	127.10	C4H5N3O2	01D07	Prestwick01	D07	Prestw-Frag-1188	696-23-1	-0.32	-1.12
deUH@DhDf^UFVh@@@@ !BepJWO[x@oe~HOY\}oe~~Wy\}	Compound 170	Compound 170	28	28	136.15	C7H8N2O	01B10	Prestwick01	B10	Prestw-Frag-1782	5231-96-9	-0.28	-0.08
fhi``@F@PdwLkvlISoMAA@@P@@@ !BepJWO[x@bOrW?Hb}o`B~@Hc|e?r~@Hb}bOrH?Hb}o`@	Compound 17	Compound 17	123	123	227.26	C14H13NO2	01G05	Prestwick01	G05	Prestw-Frag-1320	16524-22-4	-0.74	-0.08
deTD@@QImeQejjj@@ !BepJ~@I\}oe~WOX`}oe~~Wx`}	Compound 169	Compound 169	368	368	142.20	C8H14O2	2.00E+10	Prestwick02	E10	Prestw-Frag-3668	5292-21-7	0.13	0.00
dklDpMLIAICICHiCDeeAfj@BX@@ !Bo`@@oe~~o`BW?Hc|o`B~@Hc|o`BW?Hc|	Compound 168	Compound 168	238	238	190.12	C8H5F3O2	01L20	Prestwick01	L20	Prestw-Frag-2181	328-90-5	-0.17	0.15
dk]H`LKPBDimUWiiViZejhZ`@ !B_{x|muLhTv\_IQ}jmsrwO[\}msrwOK\}	Compound 167	Compound 167	200	200	194.25	C9H10N2OS	01J22	Prestwick01	J22	Prestw-Frag-2118	91168-31-9	1.19	0.07
fdya@@D@rJJJFJIIKVCzKUT@@@@@@ !Boe~HOY\}oe~H?Ky_e?rWoXb}o`BWO[y_oe~W?I_|bKvWOP	Compound 166	Compound 166	177	177	239.32	C16H17NO	01I19	Prestwick01	I19	Prestw-Frag-1453	957-51-7	-0.94	-1.52
detD@@YIfUrXYZB@`@@ !BIV@oZbpXo`BWoVLXe?rW?I^}	Compound 165	Compound 165	151	151	134.13	C8H6O2	01H13	Prestwick01	H13	Prestw-Frag-1361	7169-34-8	-0.13	-0.01
fhq``@C@ddsZzkKpSP@UUT@@@ !B@K{|bOrWOX`@oorH@h`@o`JH@K{|b@B~?Hc|epB~@Kx	Compound 164	Compound 164	14	14	235.33	C14H21NO2	01A16	Prestwick01	A16	Prestw-Frag-2005	52047-55-9	-0.63	-1.28
foAA`@@HldwJvn|EhsUT@EQCE@@ !Bog~wO[@}lCr~_{@}lKv~_{@|lKvpO[C\lKv~_p	Compound 163	Compound 163	446	446	206.24	C12H14O3	02M08	Prestwick02	M08	Prestw-Frag-3739	2471-69-4	0.52	0.24
dmtL@@YTf[gqehHB@@ !BlCv~_{B|lCvwO[@|og~~_{\}og|	Compound 162	Compound 162	341	341	152.15	C8H8O3	02C03	Prestwick02	C03	Prestw-Frag-2506	89-84-9	0.21	0.00
didD`ND@aJY~rjYf`@ !BQrpeKt]co`A_ohc|bKv~@@	Compound 161	Compound 161	230	230	142.17	C6H6O2S	01L12	Prestwick01	L12	Prestw-Frag-2140	1918-77-0	-0.19	-1.12
dg^BPIxSlH``cHhheHfhrpPKDp@@ !BesvW@ky_o`BWOY\}@Ky_okx@oe~WOY\Boe|	Compound 160	Compound 160	160	160	235.64	C7H6ClNO4S	01H22	Prestwick01	H22	Prestw-Frag-2051	1205-30-7	0.10	-0.16
dmNH@DAIe[VfeVj@B@@ !Be?rWo[x@e?rW?Kx@e{vW?I_|e{t	Compound 16	Compound 16	327	327	147.18	C9H9NO	02A09	Prestwick02	A09	Prestw-Frag-2464	553-03-7	-2.13	-2.64
dknHBLCIrIJQFIKSjj`@@@ !Bmsv~_{^}mst|msvpog~wO[@}og~~_{@}	Compound 159	Compound 159	17	17	180.27	C11H18NO	01A19	Prestwick01	A19	Prestw-Frag-1017	7221-40-1	-0.27	-0.08
dcLL@@QTfvUtYZ`@h@@ !Bo`BH?I_|o`BW@h`Bo`B~@Hc|o`BH?@	Compound 158	Compound 158	435	435	166.18	C9H10O3	02K17	Prestwick02	K17	Prestw-Frag-2960	104-01-8	0.16	0.00
fle``@G@teMkltzkNASP@UUUTTAT@@ !Bo`BHOY_|bOr~@Kx@bOr~@I_|bOpUS{QxG~Z~@ATPEQBH@a?f	Compound 157	Compound 157	207	207	263.38	C16H25NO2	01K09	Prestwick01	K09	Prestw-Frag-1523	93413-90-2	-0.81	-1.52
fdyQ@@MF@eLjmJ|dFMAAEUUD@@ !BepJH@i^}o`BHoY_|e?rH?Kx@e{vHoY_|o`BWoY_|e?rWoP	Compound 156	Compound 156	130	130	248.37	C15H24N2O	01G12	Prestwick01	G12	Prestw-Frag-2808	87766-25-4	-1.04	-1.28
f`qA`@@HddwJzroAN|t@E@@@@@ !BlCvpoKy?m{vpo[y?og~p?[y?lCv~_{@|lKvpO[C\	Compound 155	Compound 155	118	118	214.22	C13H10O3	01F20	Prestwick01	F20	Prestw-Frag-1968	2215-77-2	-0.89	-0.24
dk}@@@EJYeU|h]TvjjfVhR`@ !BI|qhsJh`WqfeH@@YR?aK~ASxEOa_FP@Y	Compound 154	Compound 154	13	13	172.23	C11H12N2	01A15	Prestwick01	A15	Prestw-Frag-1014	16502-01-5	-0.81	-1.28
daEH@LXDeejZjVhR`@ !BfuPoIRToQrq_od]co`@	Compound 153	Compound 153	470	470	112.13	C5H8N2O	02O12	Prestwick02	O12	Prestw-Frag-3752	38585-62-5	0.29	-0.96
digH@DpPRYm^Ejjh@@ !BlCv~_{B|msvpO[y?og~pOP	Compound 152	Compound 152	420	420	129.16	C5H11N3O	02I22	Prestwick02	I22	Prestw-Frag-3723	474711-89-2	0.03	-1.04
dg~H`BlIAIfV]}itxHJJh`@ !BesvW@ky_o`BWOY^}e?rH?Ky_o`B~@Hc|o`@	Compound 151	Compound 151	405	405	195.24	C11H14FNO	02I07	Prestwick02	I07	Prestw-Frag-2803	119836-08-7	-0.09	0.00
dcMH@ITDiegd]hJA`@@ !Boe~H@h`}esv~@H`Boe~~W{x@bCvWOP	Compound 150	Compound 150	344	344	164.21	C9H12N2O	02C06	Prestwick02	C06	Prestw-Frag-3314	18637-00-8	-0.32	-1.36
gO|@AfeL~kTt@@ !BFBqjKqaco`@@ohc|	Compound 15	Compound 15	392	392	97.12	C4H7N3	02G14	Prestwick02	G14	Prestw-Frag-3689	22600-77-7	-1.37	-1.44
dmuH@DDDf]eYUj`@@@ !BlKv~_{C\msv~_{@}msv~_{y?mst	Compound 149	Compound 149	255	255	150.18	C8H10N2O	01M17	Prestwick01	M17	Prestw-Frag-1745	37140-70-8	-0.15	0.31
deVD`La@BLddlRPrm@@@@ !B@Ky_okx@oe~WOX`}oe~~Wx`}	Compound 148	Compound 148	80	80	157.19	C6H7NO2S	01D22	Prestwick01	D22	Prestw-Frag-1895	98-10-2	-0.29	-0.08
dmtL@@PdfueYUj`@@@ !BlKvpwKy?msv~_{\}lCv~_{y?lCt	Compound 147	Compound 147	353	353	152.15	C8H8O3	02C15	Prestwick02	C15	Prestw-Frag-2577	122-59-8	0.25	0.48
deVH@IAJYW~F``H@@ !Boe~H@i\}bCv~@Ky_oe~HO[y_	Compound 146	Compound 146	266	266	137.18	C8H11NO	01N08	Prestwick01	N08	Prestw-Frag-2201	156-43-4	-0.64	-1.28
dk~`@@rnMJYVyZFUtvifjjXF`@ !Bb@J~W{x@bCvHOXc|XFj~WpB~?H`lQv@e	Compound 145	Compound 145	164	164	175.19	C8H9N5	01I06	Prestwick01	I06	Prestw-Frag-3360	117761-02-1	-0.37	-0.16
foAQ@@LB@dkJ{J|EYuUUP@P@@ !Bog~wO[y?m{vpo[y?og~p_[y?msvpO[y?og~poP	Compound 144	Compound 144	6	6	206.29	C12H18N2O	01A08	Prestwick01	A08	Prestw-Frag-1945	36245-26-8	-0.42	-0.01
dg^``NeSlHaIe][Zf`@ii`@@ !Bb@J~@H`}bOrH?Hb}bOrHo[y_bOrHo[y_bOp	Compound 143	Compound 143	391	391	211.65	C8H10ClN5	02G13	Prestwick02	G13	Prestw-Frag-2722	4022-81-5	-0.89	-1.36
f`qPb@L^``@QddabRTJVEJsejj`@h@@ !B@Ky_oky_o`AGXqacb@IjKrToo`BHOXc|bOrHOXc|	Compound 142	Compound 142	350	350	240.32	C11H16N2O2S	02C12	Prestwick02	C12	Prestw-Frag-3341	334981-10-1	-0.24	0.16
f`qQB@B^lBPRYeeWedc^``hjZH@@ !Be?rWo[x@oe~W?I\BesvHO[x@o`B~W{y_epJH@hb}	Compound 141	Compound 141	81	81	222.26	C12H15FN2O	1.00E+03	Prestwick01	E03	Prestw-Frag-1094	189763-57-3	-0.42	-1.20
digH@LhPRfuvz`@`@@ !Bog~pOK@}msv~_{y?msv~_p	Compound 140	Compound 140	35	35	125.13	C5H7N3O	01B17	Prestwick01	B17	Prestw-Frag-1167	7252-84-8	-0.58	-0.24
didh@DKaAInV[ffjXj`@ !BlKvpwKy?YuLhTvh_IQ}@Z`	Compound 14	Compound 14	56	56	126.12	C4H6N4O	01C18	Prestwick01	C18	Prestw-Frag-2268	360-97-4	-0.68	-0.16
fhqP`@DZ@IIeee~uQfhJBJh@@ !BbOrHo[x@bGrW?Hc|bKvWO[x@o`BH_Hc|bKv~@Ha|e?p	Compound 139	Compound 139	57	57	236.31	C13H20N2O2	01C19	Prestwick01	C19	Prestw-Frag-1086	24469-51-0	-0.28	-0.16
dmv@PEBPfPRYeW[hBBh@@ !BesvW@ky_esv~@I\}oe~H@ky_o`@	Compound 138	Compound 138	460	460	157.16	C8H9F2N	02M22	Prestwick02	M22	Prestw-Frag-3746	885066-15-9	-0.34	0.32
f`a`R@LPPJP@cIIChhcDd{ruTt@ABe@@ !BOK^}lK^}lCr~_{@}msv~_{@|og~wO[@}og~~_{@}	Compound 137	Compound 137	352	352	243.28	C10H13NO4S	02C14	Prestwick02	C14	Prestw-Frag-3362	29268-15-3	0.29	-1.12
dk\`pJ[cBPRPrPrJPqJYKatzijjf@@ !BIV@oIVAjIV@lFB}jXqb~@I^}e?rW?I^}	Compound 136	Compound 136	334	334	192.15	C6H7F3N4	02A16	Prestwick02	A16	Prestw-Frag-3253	762240-92-6	0.11	0.16
dg~D`AtpBDie_V|kaifjfj@@ !BKvhlFKx@esucFI_|epJWOY_|o`BH?I_|o`@	Compound 135	Compound 135	168	168	211.28	C10H13NO2S	01I10	Prestwick01	I10	Prestw-Frag-3371	n.a.	-0.28	-0.24
f`iP@@@BRfYYWgEAFuyjjjZeh@@ !BI|qhsJh`WqfeH@@YR?aK~JUoEO`T~E|YWqdTvp@Y	Compound 134	Compound 134	105	105	214.31	C14H18N2	01F07	Prestwick01	F07	Prestw-Frag-1264	6650-04-0	-1.09	-1.60
dieD@DDFR[fVEijX@@ !BfuSFpB|eQrpeKt]co`A_o`	Compound 133	Compound 133	83	83	126.11	C5H6N2O2	1.00E+05	Prestwick01	E05	Prestw-Frag-1128	1097817-28-1	-0.10	-0.08
deTD@@QImeQej@@@@ !BepJ~@I\}oe~WOX`}oe~~Wx`}	Compound 132	Compound 132	357	357	136.15	C8H8O2	02C19	Prestwick02	C19	Prestw-Frag-2579	103-82-2	-0.05	0.00
dev@@@Re[TjFP@@@@@ !BlMr~_{B}lOv~_{C\lOvp?[C\	Compound 131	Compound 131	335	335	129.16	C9H7N	02A17	Prestwick02	A17	Prestw-Frag-2493	119-65-3	-0.12	0.00
fhi@`@@HR[YfUWMypVj`@@@@@@ !BbCvH@ky_esv~Wy_|e{vHo[x@esv~W{y_epJW?Hb}est	Compound 130	Compound 130	332	332	226.28	C15H14O2	02A14	Prestwick02	A14	Prestw-Frag-3250	606-83-7	-0.49	-1.04
dcm@@@{IDeCEDUSh@UUECP@ !BKrVDB~goz^~DBr|eQrpeKt]co`A_o`	Compound 13	Compound 13	63	63	162.24	C10H14N2	01D05	Prestwick01	D05	Prestw-Frag-1187	54-11-5	-0.52	-1.28
dg~H@FCHdheLeBwKmSURttTP@ !BIVCoqbU`KA`oZfLXo`BWOY\BepJWO[x@epH	Compound 129	Compound 129	113	113	189.26	C12H15NO	01F15	Prestwick01	F15	Prestw-Frag-1299	41340-36-7	-0.11	-1.44
devH@FAIeYZ[ajjjh@@ !BTKxrjCJglBZpZ[e?qJODkM\E	Compound 128	Compound 128	1	1	141.21	C8H15NO	01A03	Prestwick01	A03	Prestw-Frag-0608	120-29-6	-0.41	-0.24
f`q@`@@HR[fYU_Sk^Zh@@@@@@ !Boe~HOY\}oe~W_I^}bKv~@I\}oe~~Wy]|e?rHoY\}	Compound 127	Compound 127	406	406	212.25	C14H12O2	02I08	Prestwick02	I08	Prestw-Frag-3711	117-34-0	-0.11	-0.08
f`qa`@N@PqImYWeQR]yjij@A@@@ !BlCvpoKy?msv~_v]SJEMjGrT_Tv^?CiKOTv]SYyKO	Compound 126	Compound 126	381	381	217.22	C12H11NO3	02G03	Prestwick02	G03	Prestw-Frag-2693	23485-68-9	0.10	-1.04
daEH@DXDfYVyjj`@ !BesvW@ky_esv~@I\}oe|	Compound 125	Compound 125	180	180	114.15	C5H10N2O	01I22	Prestwick01	I22	Prestw-Frag-3460	109384-27-2	0.00	-0.24
dg^L@NAFR[VvUNvjZ@@@@ !Bog~pO[\}msrwO[y?msrwO[\|og~wO[]}og|	Compound 124	Compound 124	90	90	193.20	C10H11NO3	1.00E+12	Prestwick01	E12	Prestw-Frag-2383	102-14-7	-0.33	-1.44
daEH@DhDfVVyje`@ !Besv~Wy\Besv~@I\}e?p	Compound 123	Compound 123	51	51	110.12	C5H6N2O	01C13	Prestwick01	C13	Prestw-Frag-1060	59315-44-5	-2.04	-1.68
dmvDPEFPbNBDfUvjZ@BV@@ !Bo`BW@h`Bo`B~@H`Bo`@@oe~~o`@	Compound 122	Compound 122	12	12	191.63	C6H6ClNO2S	01A14	Prestwick01	A14	Prestw-Frag-1977	98-64-6	-0.58	-0.16
fhiIP@DXxHDc^CdTRbfaTVUNZltuUUULQbTmRt@@ !Bb@J~@H`}bOrH?Ky_bCv~@D]cFFMjKvAjIR}cQrqGgpx	Compound 121	Compound 121	340	340	244.21	C8H12N4O5	02A22	Prestwick02	A22	Prestw-Frag-3302	320-67-2	-0.02	0.16
daEH@LXDeYVzje`@ !Bog~wo[y?JEMgTrT_Za|	Compound 120	Compound 120	121	121	112.13	C5H8N2O	01G03	Prestwick01	G03	Prestw-Frag-1303	1615-14-1	0.13	-0.08
devH@AAIfUfgaiZjVJH@ !Bog~pO[\}PFj~_{y?CF]@I[\}	Compound 12	Compound 12	396	396	133.15	C8H7NO	02G18	Prestwick02	G18	Prestw-Frag-3696	2380-94-1	-0.70	-1.44
dmNH@BAIfUmiEX@@@@@ !Bo`BW?Hc|e{v~@Kx@e?rW?Hc|o`@	Compound 119	Compound 119	363	363	145.16	C9H7NO	2.00E+05	Prestwick02	E05	Prestw-Frag-2592	148-24-3	-0.26	0.00
gOx`DJdrm[UT@@ !Bog~pO[\}og~~_{\}	Compound 118	Compound 118	360	360	101.11	C4H7NO2	02C22	Prestwick02	C22	Prestw-Frag-3463	109-11-5	-0.27	0.32
gOu@EPdrm[UT@@ !Bog~pO[\}og~~_{\}	Compound 117	Compound 117	356	356	100.12	C4H8N2O	02C18	Prestwick02	C18	Prestw-Frag-3458	5625-67-2	-0.43	-0.08
gFu@EPdrfmU@@ !Bog|hTv]SIQ}jGp	Compound 116	Compound 116	416	416	86.09	C3H6N2O	02I18	Prestwick02	I18	Prestw-Frag-3718	1373253-20-3	-0.07	-0.64
dg~H@ACHhdhUDeSG\@EUTP@@ !Boe~HoY^}oe~~Wy^}bKvH?Hb}o`BH?Hc|o`@	Compound 115	Compound 115	409	409	191.27	C12H17NO	02I11	Prestwick02	I11	Prestw-Frag-2809	73279-04-6	-0.43	-1.12
daEH@HHDiY|jfZ`@ !BIV@@oa`lKD]jXKx@XFh	Compound 114	Compound 114	152	152	112.13	C5H8N2O	01H14	Prestwick01	H14	Prestw-Frag-2021	19947-75-2	-0.18	-0.08
dklDpJdIAICICHiBeEEmNjhH@@@ !Be{v}b@JWesv~Wy\}epJ~W{x@esvWO[y_	Compound 113	Compound 113	326	326	192.14	C8H7F3O2	02A08	Prestwick02	A08	Prestw-Frag-3225	160968-99-0	-0.44	-0.08
diV@`A@HRfU|kaifj`@ !BKvhlFKx@esucFI\BepJWOP	Compound 112	Compound 112	243	243	139.22	C7H9NS	01M05	Prestwick01	M05	Prestw-Frag-1694	28783-41-7	-0.53	-1.36
dmvD`Ea@BLddLrVFUh@H@@ !B@Ky_oky_o`BWOX`}oe~~Wx`}oe|	Compound 111	Compound 111	73	73	171.21	C7H9NO2S	01D15	Prestwick01	D15	Prestw-Frag-1214	5470-49-5	-0.40	-0.01
dk^D@MBTieeVDuvifjiXx`@ !Boe~H@h`}esv~@FAjoe~~Wxc|KD]`IY\}	Compound 110	Compound 110	217	217	177.20	C10H11NO2	01K19	Prestwick01	K19	Prestw-Frag-1595	1208935-09-4	-0.17	-0.16
deTL@@jTin_xZB@`@@ !Bog~pOK@}msvpOKy?og~wO[y?	Compound 11	Compound 11	337	337	140.14	C7H8O3	02A19	Prestwick02	A19	Prestw-Frag-2499	6100-60-3	0.28	0.88
gOt@ADiUqZZij@@ !B@KxeXFi`FBq`Zkx@	Compound 109	Compound 109	185	185	96.13	C5H8N2	01J07	Prestwick01	J07	Prestw-Frag-1408	2820-37-3	-1.01	-1.44
dk]@@@UJfUW~V]jB`b`@@ !Boe~W?Hc|esvHO[x@o`B~W{y_bOrHo[x@	Compound 108	Compound 108	8	8	176.26	C11H16N2	01A10	Prestwick01	A10	Prestw-Frag-1946	70849-59-1	-0.33	-0.01
f`qpP@DXxBSoYEDhihTdjBtYijjjilLVhZ@@ !Bb@J~@H`}bOrH?Ky_o`BHOQacQvLeKvhoKD]cQxww	Compound 107	Compound 107	338	338	227.22	C9H13N3O4	02A20	Prestwick02	A20	Prestw-Frag-3264	951-77-9	-0.01	0.16
fdeQ@@DD@drrjJtyKPXmPHQ@A@@@ !Bo`BH@i\Bo`B~@I^}e?rW?I\Bo`BWOY\Bo`BWOY_|epJWOP	Compound 106	Compound 106	265	265	236.27	C15H12N2O	01N07	Prestwick01	N07	Prestw-Frag-1561	32003-14-8	-0.90	-0.16
dmvLAHAEbTyInUwaZ@B`@@ !Bb@JHo[x@epJH@kx@o`BH@kx@bOp	Compound 105	Compound 105	53	53	153.14	C7H7NO3	01C15	Prestwick01	C15	Prestw-Frag-1071	619-73-8	-0.41	0.07
dg|D@@SHiiEDdcJg[UPTA@@@ !Bjf|@FTo[R?`gxvccjbA_FZioiV}K~DoxWqd	Compound 104	Compound 104	16	16	190.24	C12H14O2	01A18	Prestwick01	A18	Prestw-Frag-2049	77-55-4	-0.56	-1.28
dcLL@@Pdfz{U]Zj@@cJ@@ !BesvW@ky_W{z~WpB~esvHO[y_oe~HOP	Compound 103	Compound 103	414	414	166.18	C9H10O3	02I16	Prestwick02	I16	Prestw-Frag-3717	515-30-0	-0.01	-0.08
dieD@DhNRYYfEjijLH@ !Besv~Wy\Besv~@I\}oe~W@`	Compound 102	Compound 102	412	412	128.13	C5H8N2O2	02I14	Prestwick02	I14	Prestw-Frag-3716	24666-56-6	-0.05	0.00
dcN@@@rQRXqIKmUP@@@@ !Be{v~@I\}?I\}bKy_esvHO[y_oe~HOP	Compound 101	Compound 101	23	23	163.26	C11H17N	01B05	Prestwick01	B05	Prestw-Frag-1141	3978-34-5	-0.69	-1.44
dkmL`LfDD@cIIBhhd]MZ`X@@@ !B@Ky_okx@oe~H?I\}bCvHO[x@oe~~Wx`}	Compound 100	Compound 100	7	7	200.21	C7H8N2O3S	01A09	Prestwick01	A09	Prestw-Frag-1006	35207-08-0	0.09	0.47
fhih@@@XIhNRJIJEKIITXkPDEUUTP@@ !BbCvWO[y_b@J~Wy\}o`BHOXc|b@JHoXc|bKvH?Hb}bOp	Compound 10	Compound 10	427	427	235.34	C12H21N5	02K09	Prestwick02	K09	Prestw-Frag-2921	1357388-52-3	-2.27	-3.03
deu@`Dp@aIeURhYiZejJh@ !B_{ySYuLhGvh_I[^}m}rwwK\}	Compound 1	Compound 1	345	345	150.20	C7H6N2S	02C07	Prestwick02	C07	Prestw-Frag-2539	583-39-1	6.28	3.83