{"text_format":"3","workbook":"xls","n_sheets":2,"sheets":["legend","OPLS-DA_output"],"read":"whole","date_system":"1900","formulas":"cached_only"}

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["Supplemental Table 3: SIMCA OPLS-DA output using all features (metabolites and covariates)"]
["column","description"]
["Var ID (Primary)","Variable (metabolite or covariate)"]
["M1.p[1]","values for loading vector p"]
["M1.p(corr)[1]","values for loading vector p(corr)"]

{"sheet":"OPLS-DA_output","index":1,"n_rows":939,"n_cols":3,"rows_kept":939,"flags":["formulas_cached_only"]}
["Var ID (Primary)","M1.p[1]","M1.p(corr)[1]"]
["dehydroisoandrosterone sulfate (DHEA-S)",0.140965,0.795577]
["androsterone sulfate",0.13629,0.768905]
["pregn steroid monosulfate*",0.134245,0.757826]
["epiandrosterone sulfate",0.134921,0.744781]
["4-androsten-3beta,17beta-diol monosulfate (1)",0.134043,0.742827]
["4-androsten-3alpha,17alpha-diol monosulfate (3)",0.130444,0.720661]
["21-hydroxypregnenolone disulfate",0.128825,0.710505]
["4-androsten-3beta,17beta-diol disulfate (2)",0.125153,0.693885]
["X - 22379",0.126801,0.671004]
["pregnenolone sulfate",0.121566,0.667451]
["4-androsten-3alpha,17alpha-diol monosulfate (2)",0.130216,0.661779]
["4-androsten-3beta,17beta-diol disulfate (1)",0.113773,0.642172]
["X - 21364",0.117212,0.639931]
["X - 11440",0.112656,0.636292]
["pregnen-diol disulfate*",0.112227,0.633925]
["4-androsten-3beta,17beta-diol monosulfate (2)",0.116561,0.627645]
["5alpha-androstan-3beta,17beta-diol disulfate",0.108101,0.607798]
["etiocholanolone glucuronide",0.111643,0.596696]
["5alpha-androstan-3alpha,17beta-diol monosulfate (1)",0.105178,0.575631]
["X - 21410",0.100919,0.568052]
["X - 21470",0.102941,0.562908]
["X - 21441",0.103599,0.558168]
["5alpha-androstan-3beta,17beta-diol monosulfate (2)",0.106197,0.539919]
["16a-hydroxy DHEA 3-sulfate",0.0938906,0.531281]
["cortisone",0.101021,0.528586]
["5alpha-androstan-3alpha,17alpha-diol monosulfate",0.100314,0.519094]
["X - 12844",0.0914693,0.515559]
["X - 18921",0.0866153,0.489412]
["cortisol",0.0868571,0.485456]
["X - 21319",0.0849739,0.48047]
["5alpha-pregnan-3beta,20alpha-diol monosulfate (2)",0.0841314,0.470057]
["X - 11470",0.0894356,0.469511]
["X - 21285",0.0878966,0.451444]
["X - 11444",0.083795,0.449472]
["5alpha-pregnan-3beta,20beta-diol monosulfate (1)",0.0757629,0.42824]
["5alpha-androstan-3beta,17alpha-diol disulfate",0.077418,0.403495]
["X - 17359",0.0766056,0.400882]
["X - 16944",0.0702518,0.398087]
["5-pregnen-3b, 17-diol-20-one 3-sulfate",0.0801061,0.391971]
["5alpha-pregnan-3beta,20alpha-diol disulfate",0.0682651,0.384317]
["X - 22764",0.0661481,0.374192]
["pregnanediol-3-glucuronide",0.068213,0.372094]
["glycerophosphorylcholine (GPC)",0.0648081,0.366006]
["decanoylcarnitine",0.0610791,0.346081]
["X - 17340",0.0668142,0.344271]
["X - 12846",0.0642672,0.341521]
["nicotinamide",0.0594116,0.33647]
["X - 21343",0.0588192,0.332703]
["4-methyl-2-oxopentanoate",0.0584546,0.329897]
["choline phosphate",0.0591082,0.329824]
["linolenate [alpha or gamma; (18:3n3 or 6)]",0.0574376,0.32489]
["X - 15492",0.0618159,0.323152]
["arachidate (20:0)",0.0565929,0.322878]
["X - 11478",0.05658,0.318801]
["3-methyl-2-oxovalerate",0.0558042,0.315344]
["andro steroid monosulfate (1)*",0.0601922,0.315289]
["X - 21851",0.0614831,0.312989]
["3-hydroxylaurate",0.0548242,0.310698]
["X - 11261",0.0540028,0.305592]
["X - 21353",0.0536773,0.303897]
["X - 11521",0.0533985,0.303013]
["X - 12442",0.0530542,0.300235]
["octanoylcarnitine",0.0531168,0.299992]
["10-undecenoate (11:1n1)",0.0527998,0.298487]
["stearate (18:0)",0.0524912,0.297158]
["phosphoethanolamine",0.0521066,0.294683]
["X - 14374",0.0515384,0.291176]
["linoleate (18:2n6)",0.0512481,0.29014]
["X - 11372",0.0501966,0.284096]
["cis-4-decenoyl carnitine",0.0501072,0.283659]
["leucylglutamate",0.0508081,0.282476]
["iminodiacetate (IDA)",0.0497399,0.282275]
["N-acetylcarnosine",0.0489823,0.277666]
["adenosine",0.0483604,0.27295]
["5alpha-pregnan-3(alpha or beta),20beta-diol disulfate",0.050486,0.269426]
["isoleucylalanine",0.046105,0.260744]
["docosapentaenoate (n3 DPA; 22:5n3)",0.0458043,0.259522]
["X - 22519",0.0457322,0.258982]
["X - 18899",0.0458372,0.258275]
["leucylleucine",0.0454326,0.257599]
["isoleucylvaline",0.0458183,0.254374]
["13-methylmyristic acid",0.0442543,0.251115]
["X - 12450",0.043924,0.248617]
["palmitate (16:0)",0.0433857,0.245823]
["tryptophylleucine",0.0436498,0.245689]
["3-hydroxyoctanoate",0.04329,0.245252]
["valylleucine",0.0433418,0.244946]
["1-oleoylplasmenylethanolamine*",0.0426151,0.24022]
["inosine",0.0425829,0.240052]
["stearidonate (18:4n3)",0.0423473,0.239661]
["3-hydroxydecanoate",0.0418246,0.237879]
["laurylcarnitine",0.0415925,0.237816]
["1-palmitoylplasmenylethanolamine*",0.0417879,0.236229]
["X - 07765",0.0418696,0.236082]
["taurine",0.0415405,0.234088]
["histidine",0.0408047,0.230842]
["tryptophylphenylalanine",0.0421191,0.229809]
["dihomo-linoleate (20:2n6)",0.0402885,0.228326]
["eicosenoate (20:1n9 or 11)",0.0400276,0.227001]
["adenosine 5'-diphosphoribose (ADP-ribose)",0.0423701,0.22482]
["X - 21312",0.0396334,0.223219]
["1-docosahexaenoylglycerophosphocholine (22:6n3)*",0.0396913,0.223092]
["eicosanodioate",0.039269,0.223087]
["5-dodecenoate (12:1n7)",0.0391718,0.22182]
["X - 18779",0.0389313,0.220975]
["docosahexaenoate (DHA; 22:6n3)",0.0387805,0.219506]
["margarate (17:0)",0.038685,0.21906]
["oleate (18:1n9)",0.0383503,0.217597]
["X - 14465",0.0382017,0.216427]
["shisha2(1)",0.0381716,0.215507]
["corticosterone",0.0383378,0.213374]
["3,7-dimethylurate",0.0379417,0.212008]
["1-linoleoylglycerophosphocholine (18:2n6)",0.0373996,0.211891]
["X - 21849",0.0371162,0.209593]
["X - 21607",0.0369702,0.20861]
["palmitoyl ethanolamide",0.0367793,0.208006]
["3-methyl-2-oxobutyrate",0.0365745,0.207165]
["X - 11880",0.0363923,0.206158]
["1-stearoylplasmenylethanolamine*",0.0363988,0.205885]
["aspartate",0.0361273,0.204153]
["X - 22518",0.0355749,0.202792]
["X - 21383",0.0358253,0.202466]
["isoleucylleucine",0.0363816,0.201138]
["X - 13435",0.0355149,0.201009]
["myristate (14:0)",0.0354207,0.20092]
["erucate (22:1n9)",0.0350662,0.199368]
["gamma-CEHC",0.03511,0.19824]
["3-hydroxybutyrate (BHBA)",0.0343357,0.195311]
["1,5-anhydroglucitol (1,5-AG)",0.0344968,0.194212]
["ursodeoxycholate",0.0342337,0.194136]
["phenylalanylglutamate",0.0341844,0.192561]
["X - 15486",0.0341476,0.192054]
["N-stearoyltaurine",0.0338589,0.191598]
["X - 20731",0.0351202,0.190574]
["X - 11442",0.0335288,0.190163]
["myristoleoylcarnitine*",0.03337,0.189455]
["2-stearoylglycerophosphocholine*",0.0334181,0.189049]
["serylleucine",0.0331184,0.187664]
["octadecanedioate",0.0332465,0.187454]
["caprylate (8:0)",0.0331413,0.187006]
["valylglycine",0.0343158,0.186495]
["X - 18922",0.0330059,0.186041]
["asparagylleucine",0.0346825,0.185522]
["3b-hydroxy-5-cholenoic acid",0.0327796,0.185082]
["X - 21755",0.0325075,0.183301]
["X - 17138",0.0324948,0.182951]
["X - 11299",0.0330605,0.181405]
["pentadecanoate (15:0)",0.0319587,0.181213]
["X - 14473",0.0321634,0.181071]
["adenosine 5'-monophosphate (AMP)",0.0318407,0.179819]
["cys-gly, oxidized",0.0313391,0.178465]
["eicosapentaenoate (EPA; 20:5n3)",0.03155,0.178239]
["guanidinoacetate",0.0322164,0.178054]
["X - 14291",0.0315463,0.177569]
["X - 11441",0.0311614,0.176805]
["X - 11530",0.0310519,0.17567]
["N-acetyl-aspartyl-glutamate (NAAG)",0.0309769,0.175213]
["tryptophan betaine",0.0308577,0.174063]
["2-hydroxydecanoate",0.0306224,0.17377]
["dihomo-linolenate (20:3n3 or n6)",0.0305895,0.173088]
["X - 18249",0.0305635,0.173084]
["alpha-hydroxyisocaproate",0.030328,0.172236]
["1-nonadecanoylglycerophosphocholine(19:0)",0.0297473,0.171208]
["10-nonadecenoate (19:1n9)",0.0300958,0.170725]
["diab(0)",0.0298608,0.168272]
["dodecanedioate",0.0293439,0.167987]
["docosadienoate (22:2n6)",0.0289659,0.164605]
["Gender(Male)",0.0290716,0.164219]
["adenosine 5'-diphosphate (ADP)",0.0296413,0.162731]
["hexanoylcarnitine",0.0287179,0.162583]
["tartronate (hydroxymalonate)",0.0286759,0.161919]
["X - 15666",0.0289376,0.161794]
["alpha-CEHC sulfate",0.0276568,0.161606]
["2-linoleoylglycerophosphocholine*",0.0283024,0.160203]
["X - 02249",0.0282906,0.159872]
["3-methyl catechol sulfate (1)",0.0284385,0.159727]
["1-palmitoylglycerophosphocholine (16:0)",0.0283154,0.15936]
["glycoursodeoxycholate",0.0279278,0.158233]
["X - 16570",0.0289542,0.156581]
["X - 21892",0.0273949,0.155564]
["theobromine",0.0275523,0.155421]
["leucylglycine",0.0277068,0.155283]
["1-arachidoylglycerophosphocholine (20:0)",0.0276689,0.154641]
["X - 16576",0.0269925,0.153081]
["allo-isoleucine",0.0270022,0.152419]
["glycerol 3-phosphate (G3P)",0.0269575,0.151729]
["caprate (10:0)",0.0267,0.151704]
["X - 11677",0.0287895,0.151486]
["leucylthreonine",0.0296418,0.151109]
["1-dihomo-linoleoylglycerophosphocholine (20:2n6)*",0.0267502,0.150649]
["X - 21737",0.0257509,0.149215]
["cis-vaccenate (18:1n7)",0.0261597,0.149075]
["X - 21448",0.0262231,0.148731]
["biliverdin",0.0262389,0.14868]
["stearoyl-linoleoyl-glycerophosphocholine (1)*",0.026235,0.148156]
["X - 16946",0.0260172,0.147598]
["sarcosine (N-Methylglycine)",0.0255288,0.145105]
["oxalate (ethanedioate)",0.025651,0.144812]
["uridine",0.025381,0.143476]
["1-stearoylglycerophosphocholine (18:0)",0.0252742,0.143319]
["ergothioneine",0.0254552,0.141436]
["glycylleucine",0.0245756,0.139644]
["serine",0.0244946,0.138986]
["N-linoleoylglycine",0.0245368,0.13763]
["X - 02269",0.0244186,0.137134]
["X - 11522",0.0242307,0.137101]
["13-HODE + 9-HODE",0.0241903,0.137077]
["1-docosapentaenoylglycerophosphocholine (22:5n3)*",0.0240558,0.136216]
["X - 12063",0.0237935,0.133883]
["X - 14095",0.0235177,0.133657]
["X - 16397",0.02357,0.133295]
["oleic ethanolamide",0.0234372,0.133158]
["glycerophosphoethanolamine",0.0234006,0.132724]
["1-oleoylglycerophosphocholine (18:1)",0.0233187,0.131294]
["X - 14302",0.0229703,0.130661]
["myristoleate (14:1n5)",0.0229335,0.13018]
["isoleucylglycine",0.0228231,0.129608]
["lathosterol",0.0227723,0.129561]
["2-hydroxypalmitate",0.0227939,0.128832]
["1-linoleoylglycerophosphoethanolamine*",0.0227062,0.128703]
["palmitoyl-linoleoyl-glycerophosphocholine (2)*",0.0226232,0.128223]
["caproate (6:0)",0.0226527,0.127661]
["X - 11540",0.0222896,0.126617]
["arachidonate (20:4n6)",0.0220196,0.123979]
["X - 11485",0.021792,0.12358]
["X - 18914",0.0217275,0.123062]
["2-hydroxyoctanoate",0.0213588,0.120677]
["phosphate",0.0213252,0.12039]
["phenylalanylphenylalanine",0.0211684,0.120189]
["1-eicosenoylglycerophosphocholine (20:1n9)*",0.0211232,0.11991]
["2-palmitoylglycerophosphocholine*",0.0207298,0.117368]
["X - 20587",0.0204137,0.117138]
["3-methylglutarylcarnitine (1)",0.0204727,0.115732]
["hexadecanedioate",0.0201749,0.114934]
["serotonin (5HT)",0.0209586,0.114903]
["betaine",0.0205672,0.114756]
["kynurenate",0.0201486,0.1146]
["15-methylpalmitate (isobar with 2-methylpalmitate)",0.020157,0.114406]
["2-stearoylglycerophosphoethanolamine*",0.0203861,0.114174]
["X - 19438",0.0199338,0.112851]
["docosatrienoate (22:3n3)",0.0198048,0.112636]
["1-docosapentaenoylglycerophosphocholine (22:5n6)*",0.0198694,0.112318]
["1-linoleoylglycerophosphoinositol*",0.0198742,0.111961]
["X - 21339",0.0196623,0.11144]
["threonate",0.0195316,0.110306]
["2-aminooctanoate",0.0194943,0.110273]
["X - 21411",0.0193281,0.108746]
["7-methylxanthine",0.0191554,0.108287]
["docosapentaenoate (n6 DPA; 22:5n6)",0.0189184,0.107398]
["X - 21442",0.0193453,0.106879]
["valylphenylalanine",0.0203968,0.106577]
["glutarylcarnitine (C5)",0.0185458,0.106005]
["smoking(1)",0.0187162,0.105605]
["beta-hydroxyisovaleroylcarnitine",0.0186003,0.105229]
["X - 11452",0.0181783,0.105184]
["X - 16071",0.0186407,0.105162]
["valylalanine",0.0202463,0.104852]
["X - 21666",0.0183469,0.102659]
["1-eicosapentaenoylglycerophosphocholine (20:5n3)*",0.0182002,0.102617]
["X - 14662",0.0170845,0.102422]
["sphingosine",0.0179384,0.10148]
["phenylalanylaspartate",0.0178463,0.101017]
["isoleucylaspartate",0.0180982,0.100436]
["X - 13728",0.0177676,0.1002]
["threonine",0.0175049,0.0998354]
["tryptophan",0.0177196,0.0995876]
["X - 12849",0.0170636,0.0980473]
["X - 11632",0.0172678,0.0976589]
["cysteine",0.0172199,0.0973852]
["cholate",0.0172967,0.0967257]
["X - 11437",0.0170413,0.0965381]
["alpha-ketobutyrate",0.0168666,0.0958766]
["1-linolenoylglycerophosphocholine (18:3n3)*",0.0169523,0.0956657]
["N-palmitoyl glycine",0.0167836,0.0953587]
["1-arachidonoylglycerophosphoinositol*",0.0168978,0.0951485]
["X - 21796",0.0163221,0.0925885]
["quinate",0.0165373,0.0922626]
["adrenate (22:4n6)",0.0162125,0.0921691]
["palmitoyl-linoleoyl-glycerophosphocholine (1)*",0.0162022,0.0915816]
["2-hydroxystearate",0.0161922,0.0912666]
["hexanoylglycine",0.0162081,0.0912571]
["10-heptadecenoate (17:1n7)",0.0160033,0.0909732]
["X - 21739",0.0160909,0.0903]
["methionine",0.0157805,0.0898917]
["palmitoleate (16:1n7)",0.0153699,0.0873863]
["linoleoylcarnitine*",0.0149588,0.0847366]
["X - 12730",0.0147173,0.0847088]
["leucine",0.0149721,0.0840806]
["1-arachidonoylglycerophosphocholine (20:4n6)*",0.0148964,0.0836611]
["sebacate (decanedioate)",0.0149015,0.0836046]
["2-arachidonoylglycerophosphoinositol*",0.0144056,0.0833449]
["phenylalanylleucine",0.0147989,0.0830583]
["stearoyl-linoleoyl-glycerophosphocholine (2)*",0.0146927,0.0827868]
["1,2-propanediol",0.0143711,0.0822979]
["2-oleoylglycerophosphoethanolamine*",0.0146403,0.0820536]
["glycocholenate sulfate*",0.0144218,0.0819163]
["azelate (nonanedioate)",0.0144181,0.0815182]
["X - 13891",0.01422,0.0809601]
["alpha-tocopherol",0.0142133,0.0805984]
["X - 17299",0.0142502,0.0803931]
["X - 21583",0.0142483,0.0801903]
["7-methylurate",0.0140553,0.0801767]
["X - 14314",0.0140551,0.0800512]
["X - 15220",0.0142568,0.0793532]
["methionylalanine",0.0151796,0.0788251]
["X - 15678",0.0138703,0.0784776]
["isovalerate",0.013701,0.0777449]
["1-oleoylglycerophosphoethanolamine",0.0137491,0.0771887]
["17-methylstearate",0.0133806,0.0762386]
["deoxycarnitine",0.0133545,0.0757186]
["5-methyluridine (ribothymidine)",0.013271,0.0749566]
["5-oxoproline",0.0132395,0.0745315]
["X - 21453",0.0129998,0.0744023]
["1-linoleoylglycerol (1-monolinolein)",0.013147,0.0738983]
["tetradecanedioate",0.0127432,0.0726636]
["X - 10458",0.0128216,0.0721402]
["X - 12798",0.0127932,0.0720467]
["flavin adenine dinucleotide (FAD)",0.0126713,0.0718505]
["taurocholenate sulfate",0.0123623,0.0705808]
["X - 21664",0.0124502,0.0703038]
["2-hydroxybutyrate (AHB)",0.0122399,0.070162]
["beta-alanine",0.0121823,0.0689726]
["X - 12860",0.011769,0.0669479]
["piperine",0.0117351,0.0660654]
["3-ethylphenylsulfate",0.0118967,0.0659118]
["2-docosahexaenoylglycerophosphocholine*",0.0116291,0.0658182]
["lysine",0.0115604,0.0655691]
["2-eicosenoylglycerophosphocholine(20:1n9)*",0.0113025,0.0655077]
["beta-hydroxyisovalerate",0.0114844,0.0654765]
["1-stearoylglycerophosphoethanolamine",0.0112595,0.0632241]
["X - 22771",0.011115,0.0630847]
["1-margaroylglycerophosphocholine (17:0)",0.0111776,0.0630355]
["X - 15136",0.0109597,0.0615569]
["X - 17341",0.0126699,0.0614695]
["2-docosapentaenoylglycerophosphocholine (22:5n3)*",0.0106984,0.0611072]
["X - 17320",0.0107008,0.0608167]
["X - 17269",0.0104721,0.0594002]
["X - 12847",0.0105739,0.0592938]
["isoleucine",0.0105656,0.0591566]
["maltotriose",0.0103802,0.0591433]
["3-hydroxy-2-ethylpropionate",0.0102803,0.0584184]
["o-cresol sulfate",0.0103775,0.0576715]
["stearoylcarnitine",0.0100075,0.0571121]
["X - 17327",0.0097603,0.0568525]
["chenodeoxycholate",0.0102661,0.0564873]
["X - 12802",0.00993206,0.055917]
["X - 21740",0.00969127,0.0548656]
["1-eicosatrienoylglycerophosphocholine (20:3)*",0.00955593,0.0542204]
["3-methylhistidine",0.00957142,0.0539382]
["X - 11378",0.00941924,0.0535962]
["leucylserine",0.0097957,0.0522349]
["X - 11905",0.00910715,0.0522309]
["tauroursodeoxycholate",0.00839403,0.0515354]
["X - 12329",0.00897864,0.0509041]
["X - 12230",0.00901404,0.0501641]
["hypotaurine",0.0084498,0.0483892]
["cyclo(leu-pro)",0.00844196,0.0475029]
["3-phosphoglycerate",0.00829128,0.045877]
["xanthurenate",0.00790886,0.0456524]
["sphingosine 1-phosphate",0.00762405,0.0437792]
["N-octanoylglycine",0.00730536,0.0434639]
["3-(4-hydroxyphenyl)propionate",0.00737558,0.0406222]
["3-methylxanthine",0.00741152,0.0404941]
["asparagine",0.00692064,0.0394101]
["1-oleoylglycerophosphoinositol*",0.0069864,0.0391614]
["X - 13835",0.00679687,0.0384399]
["X - 15375",0.00663015,0.0381776]
["stearoyl sphingomyelin",0.00676354,0.0381775]
["hydroxybutyrylcarnitine*",0.00673823,0.0381687]
["X - 13689",0.00640465,0.0373178]
["X - 11308",0.00655633,0.03726]
["2-linoleoylglycerophosphoethanolamine*",0.0065594,0.0370367]
["X - 21792",0.00645148,0.0362187]
["X - 11538",0.00621799,0.0359297]
["myristoylcarnitine",0.00621106,0.0359044]
["4-ethylphenylsulfate",0.00645313,0.0358754]
["X - 21662",0.0062825,0.0355878]
["5-acetylamino-6-formylamino-3-methyluracil",0.0062713,0.0346375]
["X - 16394",0.00600984,0.0342242]
["1-eicosapentaenoylglycerophosphoethanolamine*",0.00601275,0.0330602]
["maltose",0.00580687,0.0323425]
["acetylcarnitine",0.00567067,0.0322917]
["succinate",0.00557143,0.0321984]
["gamma-tocopherol",0.00542295,0.0314081]
["guanosine",0.00545018,0.0309658]
["X - 13864",0.00550017,0.0306186]
["X - 12039",0.00542603,0.0297031]
["11-dehydrocorticosterone",0.00475145,0.0294199]
["2-aminoadipate",0.00515159,0.0288449]
["palmitoylcarnitine",0.00489767,0.0283408]
["glycylproline",0.00494972,0.0282942]
["1-docosahexaenoylglycerophosphoethanolamine*",0.0049855,0.0275667]
["oleoylcarnitine",0.00472629,0.0273812]
["X - 21328",0.00458358,0.0273229]
["X - 22716",0.00440547,0.025344]
["valine",0.00448497,0.0251029]
["N-palmitoyltaurine",0.00418222,0.0237995]
["theophylline",0.004231,0.0234457]
["X - 16935",0.00405224,0.0233439]
["X - 21329",0.00404462,0.0230236]
["EDTA",0.00410814,0.0229039]
["2-aminobutyrate",0.00386857,0.0216268]
["indole-3-carboxylic acid",0.00378806,0.021028]
["heme",0.0036496,0.0205557]
["1-palmitoylglycerol (1-monopalmitin)",0.00355762,0.0203678]
["2-linolenoylglycerophosphocholine(18:3n3)*",0.00357347,0.0200898]
["X - 22776",0.00362451,0.0199278]
["X - 21769",0.00339597,0.0198704]
["X - 21661",0.00358777,0.0197774]
["X - 17438",0.00348049,0.0196244]
["imidazole lactate",0.00338879,0.0195208]
["X - 17346",0.00329371,0.0188351]
["X - 12824",0.00304396,0.0179994]
["urate",0.00310774,0.0164885]
["oleoyl sphingomyelin",0.00293598,0.0164013]
["1-arachidonoylglycerophosphoethanolamine*",0.00279856,0.0157429]
["batch(1)",0.00270402,0.0154267]
["caffeine",0.00279326,0.0154147]
["benzoate",0.00254673,0.0152048]
["X - 14568",0.00267383,0.0149961]
["X - 17676",0.00239388,0.0133019]
["X - 16124",0.00262868,0.0126678]
["glycohyocholate",0.002057,0.0121421]
["X - 21729",0.00205194,0.0119021]
["arginine",0.00192574,0.0110758]
["X - 12231",0.00199798,0.0110333]
["paraxanthine",0.00184314,0.0101403]
["X - 21816",0.00180161,0.010022]
["threonylphenylalanine",0.00170761,0.00925736]
["3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)",0.00158508,0.00843956]
["X - 12855",0.00141241,0.00829077]
["3-hydroxyisobutyrate",0.00128622,0.00829056]
["X - 21757",0.00131713,0.00812748]
["16-hydroxypalmitate",0.000859844,0.00577513]
["X - 12740",0.00108705,0.00535038]
["1-methylxanthine",0.000868632,0.00417883]
["3-(3-hydroxyphenyl)propionate",0.000849715,0.00411484]
["X - 22775",0.000828743,0.00403246]
["creatinine",0.000744612,0.00399919]
["X - 22174",0.000751959,0.00391809]
["X - 16580",0.000894908,0.00359653]
["X - 22585",0.000542616,0.00344873]
["N-acetylaspartate (NAA)",0.000525753,0.00305777]
["cis-Cyclo[L-ala-L-Pro]",0.000542564,0.00278976]
["cholesterol",0.000370775,0.00214911]
["glycerate",0.00032715,0.00205701]
["tiglyl carnitine",0.000301256,0.00155077]
["X - 17690",0.000271354,0.001136]
["X - 11858",{"v":8.96676e-05,"d":"8.97E-05"},{"v":-1.02635e-05,"d":"-1.03E-05"}]
["X - 21461",-0.0001715,-0.000521716]
["2-margaroylglycerophosphocholine*",-0.000104762,-0.000556077]
["X - 14364",-0.00032784,-0.00113522]
["citrate",-0.00039821,-0.00230426]
["1-margaroylglycerophosphoethanolamine*",-0.000385312,-0.00252824]
["ornithine",-0.000529867,-0.00314181]
["X - 11849",-0.000519198,-0.00357778]
["indolepropionate",-0.000713476,-0.0049956]
["X - 13871",-0.000978708,-0.0050618]
["N-oleoyltaurine",-0.00109685,-0.00544405]
["X - 14196",-0.00136254,-0.00683523]
["X - 21657",-0.00110829,-0.00712286]
["X - 22414",-0.00136923,-0.00722577]
["X - 19455",-0.0012158,-0.00755605]
["X - 16964",-0.00160369,-0.00856812]
["X - 11795",-0.00161764,-0.0087206]
["5,6-dihydrothymine",-0.00172914,-0.00873977]
["X - 01911",-0.00152464,-0.00918867]
["X - 22589",-0.00188222,-0.00918931]
["X - 13866",-0.00171697,-0.010152]
["X - 12101",-0.00182404,-0.0109712]
["X - 17185",-0.00200677,-0.0126235]
["2-linoleoylglycerol (2-monolinolein)",-0.00228685,-0.0126319]
["cyclo(gly-pro)",-0.00209087,-0.0129264]
["alpha-hydroxycaproate",-0.00234217,-0.0131277]
["X - 21358",-0.00235105,-0.0133437]
["1-palmitoleoylglycerophosphoinositol*",-0.00242059,-0.0142255]
["X - 21736",-0.0024362,-0.0142272]
["1-oleoylglycerol (1-monoolein)",-0.00252978,-0.0143458]
["1-myristoylglycerophosphocholine (14:0)",-0.00258171,-0.0145643]
["trans-urocanate",-0.00271288,-0.0151059]
["batch(2)",-0.00270402,-0.0154267]
["1-pentadecanoylglycerophosphocholine (15:0)*",-0.00277515,-0.015897]
["X - 10445",-0.00301002,-0.0159257]
["hypoxanthine",-0.00313377,-0.0169378]
["2-ethylhexanoate",-0.00303225,-0.0171096]
["2-myristoylglycerophosphocholine*",-0.00321074,-0.0180126]
["1,3,7-trimethylurate",-0.00306223,-0.0180286]
["X - 12833",-0.00333016,-0.0195603]
["5-acetylamino-6-amino-3-methyluracil",-0.00343318,-0.0199741]
["glutamine",-0.00390897,-0.0218147]
["1-stearoylglycerophosphoglycerol",-0.0040364,-0.0224493]
["X - 11847",-0.00427902,-0.0246349]
["2-pyrrolidinone",-0.00435784,-0.0247835]
["X - 15484",-0.0045539,-0.0249939]
["palmitoyl sphingomyelin",-0.00478042,-0.0268259]
["X - 12748",-0.00485712,-0.0276854]
["methylphosphate",-0.00503148,-0.0282055]
["X - 12015",-0.00496432,-0.0286326]
["gamma-glutamylmethionine",-0.00498755,-0.0289037]
["N-acetylglycine",-0.00506112,-0.0289707]
["1-arachidonoylglyercophosphate",-0.00549866,-0.0312559]
["X - 12472",-0.00567181,-0.0315879]
["2-piperidinone",-0.00569252,-0.0321589]
["X - 18913",-0.00616416,-0.0348741]
["pro-hydroxy-pro",-0.00636311,-0.0359617]
["uracil",-0.00639053,-0.0360253]
["2-eicosatrienoylglycerophosphocholine*",-0.00652489,-0.0360883]
["1-arachidonylglycerol",-0.00670585,-0.0380362]
["2-methylmalonyl carnitine",-0.00692674,-0.0391186]
["glycerol",-0.00723572,-0.0399387]
["X - 12263",-0.00690909,-0.0404279]
["X - 21373",-0.00718801,-0.0407097]
["X - 15382",-0.00753364,-0.041752]
["glycocholate",-0.00753204,-0.0419476]
["1-stearoylglycerophosphoinositol",-0.00753838,-0.0429126]
["1,3-dimethylurate",-0.00765103,-0.043532]
["X - 22143",-0.0077945,-0.0442791]
["X - 22173",-0.00790328,-0.0445558]
["thymol sulfate",-0.00781494,-0.0445924]
["gamma-glutamylleucine",-0.00788813,-0.0449571]
["X - 11843",-0.00801351,-0.045894]
["alpha-hydroxyisovalerate",-0.00821026,-0.0459454]
["X - 17306",-0.00812011,-0.0463463]
["X - 11850",-0.00827745,-0.0468661]
["alanine",-0.00832181,-0.0469098]
["X - 16938",-0.00834774,-0.0471561]
["X - 22850",-0.00835147,-0.0473949]
["2-arachidonoylglycerophosphoethanolamine*",-0.00841231,-0.0477701]
["imidazole propionate",-0.00877183,-0.0490569]
["sphinganine",-0.00947628,-0.04917]
["tartarate",-0.00867765,-0.049799]
["isovalerylcarnitine",-0.00912283,-0.0518716]
["X - 14096",-0.00934175,-0.0520717]
["proline",-0.009201,-0.0521278]
["allantoin",-0.00925952,-0.0523758]
["1-methylhistidine",-0.00926337,-0.052813]
["2-hydroxy-3-methylvalerate",-0.00945177,-0.0531025]
["X - 12543",-0.00915849,-0.053848]
["X - 21834",-0.00962205,-0.055871]
["pyridoxate",-0.00991089,-0.0564215]
["X - 21788",-0.010098,-0.0569036]
["X - 17685",-0.00994975,-0.0569858]
["X - 12830",-0.0103457,-0.0572593]
["stearoyl-arachidonoyl-glycerophosphoinositol (1)*",-0.0101711,-0.0578651]
["2-arachidonoylglycerophosphocholine*",-0.0103029,-0.0578835]
["gamma-glutamyltryptophan",-0.0104389,-0.058694]
["aspartylleucine",-0.0107021,-0.0588778]
["X - 11315",-0.010287,-0.059059]
["X - 11529",-0.0106393,-0.0599299]
["indoleacetate",-0.0104747,-0.060026]
["X - 11491",-0.0106205,-0.0601111]
["X - 14427",-0.0109153,-0.0611404]
["serylphenyalanine",-0.011129,-0.0624205]
["X - 17347",-0.0106438,-0.0624811]
["choline",-0.0110194,-0.062549]
["orotate",-0.0117099,-0.064861]
["2-methylbutyrylcarnitine (C5)",-0.0116347,-0.0662536]
["butyrylglycine",-0.0118685,-0.0664388]
["3-hydroxyhippurate",-0.0118683,-0.0676163]
["2-docosahexaenoylglycerophosphoethanolamine*",-0.0123914,-0.0700349]
["1-eicosatrienoylglycerophosphoethanolamine*",-0.0124611,-0.0700442]
["7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)",-0.0124589,-0.0701164]
["X - 12462",-0.0123448,-0.0702458]
["X - 16581",-0.0126704,-0.0719728]
["1-palmitoylglycerophosphate",-0.0128417,-0.072894]
["glycochenodeoxycholate",-0.0130968,-0.0732721]
["X - 13429",-0.0131237,-0.0733434]
["N-acetylneuraminate",-0.013484,-0.0746053]
["N-acetylalliin",-0.0124588,-0.0747878]
["3-phenylpropionate (hydrocinnamate)",-0.0131083,-0.0756797]
["X - 21776",-0.0133262,-0.0757815]
["1-palmitoylglycerophosphoethanolamine",-0.0136379,-0.07734]
["catechol sulfate",-0.0136604,-0.0785202]
["carnitine",-0.013935,-0.0787314]
["gamma-glutamylglutamine",-0.0137726,-0.0789605]
["X - 15477",-0.0165295,-0.0806622]
["X - 18241",-0.0141101,-0.0810631]
["X - 13730",-0.0134581,-0.0813193]
["glycine",-0.0147276,-0.0837854]
["X - 12095",-0.0149156,-0.0839528]
["X - 21258",-0.0147283,-0.0842589]
["X - 14838",-0.0157436,-0.0844938]
["X - 14626",-0.0150003,-0.0845829]
["creatine",-0.0149419,-0.0848007]
["X - 12792",-0.0151538,-0.0848914]
["xanthine",-0.0152311,-0.0851593]
["X - 22415",-0.0150727,-0.0853329]
["N1-Methyl-2-pyridone-5-carboxamide",-0.0152336,-0.0857473]
["X - 21457",-0.0153548,-0.0860751]
["S-adenosylhomocysteine (SAH)",-0.0153727,-0.0862735]
["X - 12812",-0.0149298,-0.0866852]
["taurochenodeoxycholate",-0.0156521,-0.0869104]
["taurocholate",-0.0157196,-0.087967]
["succinylcarnitine",-0.0155784,-0.0881732]
["1,6-anhydroglucose",-0.0144711,-0.088306]
["X - 20529",-0.0150492,-0.0885514]
["salicylate",-0.0158791,-0.0888069]
["N-methyl proline",-0.0157363,-0.0889805]
["tauro-beta-muricholate",-0.015446,-0.0903981]
["cyclo(L-phe-L-pro)",-0.016062,-0.0909946]
["1,7-dimethylurate",-0.015994,-0.0910465]
["X - 17655",-0.0148932,-0.0914406]
["methionine sulfoxide",-0.0163845,-0.0923778]
["X - 14056",-0.0165117,-0.0929084]
["N-acetylmethionine",-0.0168287,-0.0931457]
["X - 12511",-0.0166182,-0.0934758]
["X - 22145",-0.016619,-0.0935022]
["X - 12734",-0.0165067,-0.0936837]
["4-methylcatechol sulfate",-0.0164276,-0.0937895]
["deoxycholate",-0.0160051,-0.093963]
["X - 18838",-0.0160762,-0.0940607]
["O-methylcatechol sulfate",-0.0167608,-0.0957175]
["X - 12850",-0.0171406,-0.0961495]
["4-vinylphenol sulfate",-0.0170707,-0.0978052]
["2-stearoylglycerophosphoinositol*",-0.0175988,-0.0985736]
["gamma-glutamylalanine",-0.017464,-0.0985831]
["nervonoyl sphingomyelin*",-0.0175888,-0.0987273]
["X - 15461",-0.0177405,-0.100003]
["2-aminophenol sulfate",-0.0178049,-0.10092]
["phenol sulfate",-0.0177073,-0.10116]
["X - 12739",-0.0181083,-0.102185]
["levulinate (4-oxovalerate)",-0.0180528,-0.102511]
["X - 12206",-0.0183214,-0.103116]
["X - 12686",-0.0184137,-0.104038]
["N-6-trimethyllysine",-0.0184478,-0.104335]
["pantothenate",-0.0185849,-0.104849]
["X - 12108",-0.0186314,-0.105317]
["smoking(0)",-0.0187162,-0.105605]
["X - 21310",-0.018784,-0.105767]
["X - 18887",-0.0187851,-0.106349]
["X - 11852",-0.0187569,-0.106833]
["X - 21658",-0.0191186,-0.107926]
["gamma-CEHC glucuronide*",-0.0188693,-0.108558]
["p-cresol sulfate",-0.0191986,-0.109256]
["1-methylurate",-0.0193611,-0.109976]
["X - 14097",-0.0199388,-0.110322]
["gamma-glutamylglutamate",-0.0198337,-0.110944]
["suberate (octanedioate)",-0.0196668,-0.111546]
["X - 12306",-0.0199452,-0.112376]
["X - 21477",-0.0200159,-0.113444]
["X - 19141",-0.0201595,-0.113661]
["butyrylcarnitine",-0.0200476,-0.113668]
["X - 17010",-0.0204685,-0.114779]
["malate",-0.0206409,-0.115105]
["lactate",-0.0206618,-0.115668]
["X - 12056",-0.0205014,-0.116463]
["succinimide",-0.0209675,-0.117762]
["X - 12456",-0.020469,-0.118949]
["gamma-glutamylisoleucine*",-0.0210907,-0.119456]
["X - 17677",-0.0201498,-0.121294]
["X - 11381",-0.0215246,-0.121746]
["X - 17145",-0.0225065,-0.12241]
["dihydroferulic acid",-0.0219361,-0.122427]
["oleoyl-linoleoyl-glycerophosphocholine (1)*",-0.0218872,-0.123032]
["X - 12221",-0.0211173,-0.124134]
["X - 14658",-0.022167,-0.12507]
["pivaloylcarnitine",-0.0214065,-0.126193]
["valerylcarnitine",-0.0221696,-0.126486]
["S-methylcysteine",-0.0223147,-0.126923]
["1-palmitoylglycerophosphoinositol*",-0.0227098,-0.128705]
["isobutyrylcarnitine",-0.0226965,-0.129373]
["N-acetylarginine",-0.0229395,-0.129945]
["propionylcarnitine",-0.0229521,-0.130091]
["adenosine 3',5'-cyclic monophosphate (cAMP)",-0.0231152,-0.130478]
["mannose",-0.0238022,-0.131004]
["cinnamoylglycine",-0.0232652,-0.131797]
["tyrosine",-0.0242645,-0.133892]
["X - 12851",-0.0240911,-0.134054]
["X - 16940",-0.0236076,-0.134061]
["X - 09789",-0.0238564,-0.135498]
["N-(2-furoyl)glycine",-0.0238642,-0.135601]
["taurolithocholate 3-sulfate",-0.0238115,-0.135665]
["isovalerylglycine",-0.0238154,-0.13609]
["pyroglutamine*",-0.0241625,-0.13617]
["X - 17146",-0.0239746,-0.136882]
["glutarate (pentanedioate)",-0.0241058,-0.137121]
["myristoyl sphingomyelin*",-0.024322,-0.1375]
["X - 21807",-0.0235996,-0.138611]
["pyruvate",-0.0246679,-0.138627]
["X - 12013",-0.0244263,-0.138989]
["theanine",-0.0265516,-0.140915]
["X - 17653",-0.0251357,-0.141757]
["X - 17350",-0.0241362,-0.143266]
["oleoyl-linoleoyl-glycerophosphocholine (2)*",-0.0254783,-0.143968]
["indolelactate",-0.0257007,-0.144652]
["gamma-glutamylvaline",-0.0255583,-0.144828]
["cytidine",-0.0254935,-0.144909]
["stearoyl-arachidonoyl-glycerophosphocholine (2)*",-0.0256747,-0.145495]
["X - 21821",-0.0263741,-0.145833]
["1-palmitoylglycerophosphoglycerol*",-0.0259627,-0.146507]
["X - 12729",-0.02625,-0.147081]
["X - 17654",-0.0261477,-0.147341]
["N-acetyltyrosine",-0.027289,-0.1495]
["1-oleoylglycerophosphoglycerol*",-0.0267577,-0.151329]
["palmitoleoyl sphingomyelin*",-0.0267561,-0.151392]
["1-palmitoleoylglycerophosphocholine (16:1)*",-0.0269724,-0.15235]
["glycolithocholate sulfate*",-0.0268643,-0.152391]
["X - 17612",-0.027627,-0.152953]
["X - 17682",-0.0258256,-0.153041]
["methyl glucopyranoside (alpha + beta)",-0.0269797,-0.153405]
["X - 22475",-0.0262648,-0.153557]
["X - 21295",-0.0270558,-0.153836]
["3-methoxytyramine sulfate",-0.0275623,-0.154638]
["X - 21668",-0.0276899,-0.155458]
["2-palmitoylglycerophosphoethanolamine*",-0.0275639,-0.156274]
["ethylmalonate",-0.0277205,-0.15687]
["3-hydroxyindolin-2-one",-0.0278219,-0.156982]
["adenine",-0.0278525,-0.15713]
["X - 12822",-0.0278748,-0.157419]
["2-hydroxyhippurate (salicylurate)",-0.0289859,-0.161514]
["X - 17351",-0.0286295,-0.161676]
["taurodeoxycholate",-0.0287412,-0.161985]
["X - 12257",-0.0284914,-0.162466]
["X - 12731",-0.0285262,-0.162507]
["indolebutyrate",-0.0291069,-0.164017]
["Gender(Female)",-0.0290716,-0.164219]
["N-acetylleucine",-0.0292306,-0.16465]
["X - 17348",-0.0285635,-0.165524]
["propionylglycine",-0.0294397,-0.166282]
["stearoyl-arachidonoyl-glycerophosphocholine (1)*",-0.0294121,-0.166672]
["xylonate",-0.0294067,-0.16695]
["sorbitol",-0.0297577,-0.167412]
["palmitoyl-arachidonoyl-glycerophosphocholine (2)*",-0.0298066,-0.167745]
["hippurate",-0.0294231,-0.167746]
["betonicine",-0.0302997,-0.167853]
["diab(1)",-0.0298608,-0.168272]
["pyroglutamylglutamine",-0.0299881,-0.168683]
["3-[3-(sulfooxy)phenyl]propanoic acid",-0.0303578,-0.168905]
["trans-4-hydroxyproline",-0.0300242,-0.169556]
["3-methylglutarylcarnitine (2)",-0.0301212,-0.169644]
["X - 22836",-0.0303256,-0.170819]
["X - 16975",-0.0303168,-0.171667]
["5,6-dihydrouracil",-0.0307711,-0.171748]
["X - 12726",-0.0304791,-0.172362]
["X - 12544",-0.0300383,-0.172496]
["X - 12026",-0.0310157,-0.174448]
["N6-acetyllysine",-0.0308994,-0.174701]
["N-acetyltryptophan",-0.0313088,-0.176453]
["4-allylphenol sulfate",-0.0310107,-0.176617]
["X - 12283",-0.031302,-0.177297]
["X - 20598",-0.0333799,-0.177917]
["X - 12193",-0.031599,-0.178546]
["X - 15728",-0.0302437,-0.178802]
["mannitol",-0.0319444,-0.180108]
["glutamate",-0.0320798,-0.181349]
["N-acetylisoleucine",-0.0322642,-0.181362]
["2-palmitoleoylglycerophosphocholine*",-0.0321452,-0.181744]
["stachydrine",-0.032529,-0.184106]
["X - 13478",-0.0326694,-0.184457]
["pipecolate",-0.0328109,-0.184608]
["4-acetamidobutanoate",-0.0341293,-0.185043]
["X - 15863",-0.0313697,-0.185615]
["3-(4-hydroxyphenyl)lactate",-0.0331513,-0.185706]
["palmitoyl-arachidonoyl-glycerophosphocholine (1)*",-0.0330255,-0.187128]
["chiro-inositol",-0.0321339,-0.187565]
["glycolithocholate",-0.0329455,-0.188294]
["X - 22509",-0.0349692,-0.189047]
["gamma-glutamyltyrosine",-0.0335973,-0.189451]
["X - 12119",-0.0337031,-0.190964]
["X - 12688",-0.0344744,-0.192089]
["X - 17367",-0.0345711,-0.192193]
["X - 18889",-0.0342326,-0.193455]
["3-indoxyl sulfate",-0.0342104,-0.194309]
["X - 12339",-0.0344644,-0.194407]
["4-hydroxyhippurate",-0.0344884,-0.194601]
["X - 15636",-0.0341606,-0.195001]
["X - 12818",-0.0338052,-0.195158]
["X - 12115",-0.0345911,-0.195549]
["citrulline",-0.0345696,-0.196097]
["N-delta-acetylornithine",-0.0345504,-0.196286]
["1-methylimidazoleacetate",-0.0349918,-0.196454]
["dimethylarginine (SDMA + ADMA)",-0.0350713,-0.197493]
["X - 12170",-0.0348649,-0.19939]
["X - 13844",-0.0351806,-0.201085]
["N4-acetylcytidine",-0.0358428,-0.201291]
["arabonate",-0.0355523,-0.20176]
["2-aminoheptanoate",-0.0359025,-0.202277]
["X - 16564",-0.0358705,-0.202521]
["X - 11837",-0.0367435,-0.203102]
["X - 12681",-0.036054,-0.203157]
["X - 21286",-0.036525,-0.206876]
["hydroquinone sulfate",-0.0368073,-0.207256]
["trigonelline (N'-methylnicotinate)",-0.0367283,-0.208154]
["methyl indole-3-acetate",-0.0372203,-0.209948]
["urea",-0.03727,-0.210006]
["glycodeoxycholate",-0.0382634,-0.210602]
["N6-methyladenosine",-0.03779,-0.214477]
["X - 14352",-0.0379982,-0.214723]
["X - 12024",-0.0363785,-0.215469]
["shisha2(0)",-0.0381716,-0.215507]
["glucose",-0.0382688,-0.21562]
["X - 16654",-0.0385163,-0.215807]
["X - 15502",-0.0384437,-0.217032]
["X - 13658",-0.0384251,-0.217203]
["O-sulfo-L-tyrosine",-0.0387229,-0.218789]
["isobutyrylglycine",-0.0384679,-0.219003]
["sulfate*",-0.0391921,-0.219678]
["sucrose",-0.0378857,-0.219709]
["X - 21365",-0.0388579,-0.219961]
["X - 12701",-0.0385323,-0.220227]
["fucose",-0.0390801,-0.221512]
["X - 12700",-0.0392385,-0.221962]
["palmitoyl-oleoyl-glycerophosphocholine (1)*",-0.0398236,-0.2246]
["X - 12014",-0.0408075,-0.225368]
["X - 14318",-0.0404541,-0.226405]
["X - 17686",-0.0399376,-0.227027]
["myo-inositol",-0.0404758,-0.227738]
["alpha-ketoglutarate",-0.041839,-0.231344]
["N-methylpipecolate",-0.0410226,-0.231808]
["X - 12212",-0.0414347,-0.234558]
["N-acetylhistidine",-0.0416266,-0.234661]
["5-methylthioadenosine (MTA)",-0.039756,-0.235054]
["phenylcarnitine*",-0.0417114,-0.235069]
["orotidine",-0.0417685,-0.236029]
["N-acetyl-beta-alanine",-0.0422486,-0.236951]
["3-methoxytyrosine",-0.0426641,-0.237874]
["X - 15472",-0.041892,-0.238417]
["N2-acetyllysine",-0.0423868,-0.238635]
["X - 12411",-0.0428197,-0.240728]
["phenylpyruvate",-0.0434932,-0.24182]
["X - 17305",-0.0424061,-0.242601]
["5-hydroxyhexanoate",-0.0430691,-0.243191]
["4-guanidinobutanoate",-0.0425527,-0.243988]
["ferulic acid 4-sulfate",-0.042347,-0.244869]
["1-palmitoleoylglycerophosphoethanolamine*",-0.0411814,-0.244911]
["4-acetylphenol sulfate",-0.0430004,-0.245206]
["X - 18901",-0.0437248,-0.246445]
["X - 12125",-0.043287,-0.247221]
["X - 12753",-0.044338,-0.247406]
["phenyllactate (PLA)",-0.0438192,-0.24756]
["X - 22102",-0.0438323,-0.248431]
["X - 11334",-0.0440933,-0.248786]
["6-oxopiperidine-2-carboxylic acid",-0.0450105,-0.24948]
["prolylglycine",-0.044793,-0.250538]
["pyroglutamylvaline",-0.0443759,-0.250553]
["X - 18345",-0.0444743,-0.25066]
["fructose",-0.0443695,-0.251562]
["X - 21810",-0.0444957,-0.25197]
["X - 21801",-0.0446806,-0.252911]
["X - 17354",-0.0462808,-0.254468]
["X - 21733",-0.0454038,-0.254973]
["2-isopropylmalate",-0.0451471,-0.255795]
["palmitoyl-palmitoyl-glycerophosphocholine (2)*",-0.0454697,-0.256368]
["X - 12705",-0.045658,-0.256817]
["N-acetylalanine",-0.0469322,-0.257114]
["X - 12714",-0.0442385,-0.257535]
["N-acetyltaurine",-0.0456098,-0.257663]
["dimethylglycine",-0.0463529,-0.258385]
["X - 12225",-0.04619,-0.258889]
["X - 16947",-0.0448933,-0.259047]
["X - 12216",-0.0462796,-0.25991]
["X - 11640",-0.0467662,-0.260327]
["X - 12906",-0.046031,-0.260475]
["X - 13737",-0.0464263,-0.260812]
["methionine sulfone",-0.0461944,-0.262717]
["gluconate",-0.0465968,-0.264284]
["X - 12104",-0.0479678,-0.265668]
["xylitol",-0.0447993,-0.266035]
["N-acetylserine",-0.0474377,-0.266196]
["X - 13507",-0.0460037,-0.266829]
["X - 13529",-0.047084,-0.267208]
["X - 11787",-0.0474404,-0.267587]
["X - 17469",-0.0477431,-0.26887]
["fumarate",-0.0482694,-0.269984]
["dimethyl sulfone",-0.0476988,-0.270383]
["ribonate",-0.0478033,-0.271308]
["2,3-dihydroxyisovalerate",-0.0487687,-0.275619]
["X - 12096",-0.0464512,-0.277899]
["acisoga",-0.0492192,-0.278484]
["X - 12007",-0.0492302,-0.278722]
["X - 22172",-0.049594,-0.279087]
["myristoleoyl sphingomyelin*",-0.05048,-0.279554]
["X - 13729",-0.0500166,-0.279596]
["N-acetylvaline",-0.0512563,-0.279805]
["X - 15192",-0.0508859,-0.283122]
["phenylalanine",-0.051615,-0.286417]
["tigloylglycine",-0.0509096,-0.287021]
["X - 22590",-0.0512548,-0.287997]
["homostachydrine*",-0.051603,-0.290013]
["4-hydroxyphenylpyruvate",-0.0518503,-0.290111]
["3-methylglutaconate",-0.0514181,-0.290475]
["X - 12814",-0.0507149,-0.291244]
["X - 13152",-0.0551706,-0.291722]
["X - 22520",-0.049871,-0.293344]
["kynurenine",-0.0525553,-0.294062]
["3-ureidopropionate",-0.0531943,-0.294913]
["X - 12386",-0.0523936,-0.296461]
["glucuronate",-0.0526485,-0.297678]
["X - 11429",-0.0531942,-0.298735]
["N-acetylphenylalanine",-0.0540275,-0.300171]
["7-methylguanine",-0.0543701,-0.302123]
["C-glycosyltryptophan*",-0.054795,-0.302479]
["N-acetylthreonine",-0.0544677,-0.304362]
["N1-methyladenosine",-0.0548818,-0.307747]
["X - 12100",-0.0545481,-0.308119]
["N-formylmethionine",-0.0562455,-0.308254]
["xanthosine",-0.0531094,-0.309338]
["X - 13727",-0.0551379,-0.31022]
["N1-methylguanosine",-0.0551206,-0.310391]
["X - 22154",-0.0553504,-0.31362]
["N2,N2-dimethylguanosine",-0.0560373,-0.315311]
["arabinose",-0.0560446,-0.315363]
["indoleacetylglutamine",-0.0565994,-0.32015]
["2-hydroxyisobutyrate",-0.0582139,-0.321033]
["X - 12708",-0.0559848,-0.322955]
["X - 12707",-0.0575879,-0.326881]
["xylose",-0.0584888,-0.327062]
["arabitol",-0.058665,-0.329164]
["N-acetylglutamate",-0.0571766,-0.330688]
["2-hydroxyglutarate",-0.058697,-0.33183]
["palmitoyl-palmitoyl-glycerophosphocholine (1)*",-0.0593812,-0.332731]
["X - 21756",-0.0594121,-0.334375]
["5-hydroxyindoleacetate",-0.0590753,-0.334492]
["gamma-glutamylphenylalanine",-0.0599245,-0.336285]
["vanillylmandelate (VMA)",-0.059858,-0.338157]
["homocitrulline",-0.0610114,-0.339363]
["erythritol",-0.0604769,-0.341441]
["erythronate*",-0.0619853,-0.348845]
["X - 17717",-0.0618199,-0.349469]
["X - 11945",-0.0625134,-0.35099]
["X - 19561",-0.0623653,-0.35168]
["X - 13553",-0.0642434,-0.35352]
["X - 12690",-0.063389,-0.356064]
["N-acetylputrescine",-0.0632258,-0.358507]
["N6-succinyladenosine",-0.064922,-0.36354]
["pseudouridine",-0.0654749,-0.367974]
["threitol",-0.0650762,-0.368415]
["3-hydroxy-3-methylglutarate",-0.0657237,-0.370267]
["N6-carbamoylthreonyladenosine",-0.0661093,-0.372538]
["phenylacetylglutamine",-0.0665143,-0.376472]
["X - 12410",-0.0675791,-0.379052]
["X - 15497",-0.0681461,-0.382746]
["X - 11564",-0.0689979,-0.389244]
["X - 12713",-0.0702752,-0.399737]
["ribitol",-0.0776478,-0.438362]
["X - 12718",-0.079521,-0.451982]
["X - 15503",-0.080611,-0.455951]
["Age",-0.0933677,-0.527779]