Validation Log
2025-12-15 01:47:46.286443
mwtab Python Library Version: 2.0.0
Source:        https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN004930/mwtab/txt
Study ID:      ST003002
Analysis ID:   AN004930
File format:   txt
Status: Contains Validation Issues
Number of Issues: 13

Number of Warnings: 10

Number of Value Errors: 9

Number of Consistency Errors: 2

Number of Format Errors: 0

Issue Log:
Error: The value, "40 ℃", for the subsection, "COLUMN_TEMPERATURE", in the "CHROMATOGRAPHY" section should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['°C', 'C']. Ignore this when more complicated descriptions are required.
Error: The following metabolites in the, MS_METABOLITE_DATA table were not found in the METABOLITES table:
	"10H-Phenoxazine-10-butanamine_2-chloro-N_N-diethyl-"
	"11-deoxy-16_16-dimethyl-PGE2"
	"1_1-Dichloroethane"
	"1_1^-(Tetrahydro-6a-hydroxy-2_3a_5-trimethylfuro[2_3-d]-1_3-dioxole-2_5-diyl)bis-ethanone"
	"12_13-DiHOME"
	"1_2_3_4-Tetrahydro-1-naphthylamine"
	"1_2_3-Tris(chloromethoxy)propane"
	"1_2_4_5_7_8-Hexathionane"
	"1-[2_4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-2-hydroxy-3-[4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]propan-1-one"
	"1_2-Bis(chloromethoxy)ethane"
	"1_2-Dichloroethane"
	"1_2-Dimethylimidazole"
	"12S-Hydroxy-5Z_8E_10E-heptadecatrienoic acid"
	"13-(3_4-dimethyl-5-pentyl-2-furyl)tridecanoic acid"
	"1-[3-[(3-Acetyl-2_4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2_4_6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]butan-1-one"
	"1-[3_4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylate"
	"1-(3_4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1_3-diol"
	"1_3_5_6-Tetrahydroxy-7-methoxyxanthen-9-one"
	"1_3_7-Trimethyluric Acid"
	"1_3-Bis[3-(4_5-dihydro-1H-imidazol-2-yl)phenyl]urea"
	"1_3-Bis(4-ethoxyphenyl)thiourea"
	"1_3-Diacetylpropane"
	"1_3-Dimethyluric acid"
	"1_4-Dibenzyloxybenzene"
	"1_4-Dimethylphenanthrene"
	"1_4-Piperazinediethanesulfonic acid"
	"1_5-Anhydro-D-fructose"
	"1_5-Isoquinolinediol"
	"16alpha_17-Isopropylidenedioxy-6alpha-methylprogesterone"
	"1_6-Dioxacyclohexadecane-7_16-dione"
	"1_7-Dimethyluric acid"
	"1-Cyclohexyl-6_7-difluoro-1_3-benzodiazole"
	"1-Naphthalenesulfonamide_N-(6-aminohexyl)-"
	"1-Oxazolo[4_5-B]pyridin-2-YL-1-dodecanone"
	"1-(Pyrimidin-2-yl)-1_4-diazepane"
	"(1R_13S_16S_22S)-1-hydroxy-7_7-dimethyl-13-(2-methylbut-3-en-2-yl)-6-oxa-12_14_20-triazahexacyclo[11.10.0.02_11.05_10.014_22.016_20]tricosa-2(11)_3_5(10)_8-tetraene-15_21-dione"
	"[(1R_2R_3Ar_4S_7S_7aR)-7-hydroxy-3a_4-dimethyl-4^-methylidene-2^-oxospiro[3_4_5_6_7_7a-hexahydro-1H-indene-2_3^-oxolane]-1-yl] 2-methylpropanoate"
	"[(1R_2R_3aR_5R_6E_10R_11S_13R_13aS)-1_2_3a_11_13-Pentaacetyloxy-2_5_8_8-tetramethyl-12-methylidene-4_9-dioxo-3_5_10_11_13_13a-hexahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylbutanoate"
	"[(1R_2R_3R_8R_9R_10R_13S)-2_10-Diacetyloxy-9-hydroxy-8_12_15_15-tetramethyl-4-methylidene-13-tricyclo[9.3.1.03_8]pentadeca-5_11-dienyl] acetate"
	"[(1R_2R_4As_5R_8aS)-1-(hydroxymethyl)-1_4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3_4_5_7_8_8a-hexahydro-2H-naphthalen-2-yl] hydrogen sulfate"
	"[(1R_2R_5R_9S_17S)-6-Oxo-7_13-diazatetracyclo[7.7.1.02_7.013_17]heptadecan-5-yl] acetate"
	"(1R_2R_5S_8S_9S_10S_11S)-5-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15_8.01_10.02_8]octadecane-9-carboxylate"
	"[(1R_2S_3S_4R_7S_8R_9R_10R_11R_13S_14R_17R)-2_9_10-Triacetyloxy-13-chloro-8_17-dimethyl-12-methylidene-16-oxospiro[15_18-dioxatetracyclo[9.6.1.01_14.03_8]octadecane-4_2^-oxirane]-7-yl] acetate"
	"[(1R_3R_5S_8R_9R_10R_13S)-9_10-Diacetyloxy-13-hydroxy-8_12_15_15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03_8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate"
	"[(1R_4As_4bR_7S_9R_10aR)-9-acetyloxy-7-methoxy-1_4a-dimethyl-7-propan-2-yl-3_4_4b_5_6_9_10_10a-octahydro-2H-phenanthren-1-yl]methyl acetate"
	"(1R_4S_4As_5S_6S_8aR)-4-(hydroxymethyl)-8a-methyl-6-propan-2-yl-1_2_3_4a_5_6_7_8-octahydronaphthalene-1_4_5-triol"
	"(1R_8S_10S_11R_12S)-3_4_11_12-Tetramethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18_11.01_10.02_7]octadeca-2(7)_3_5-triene-13_16-dione"
	"[(1S_2S_3S_5S_8S_10S_14S)-2-Acetyloxy-5_10-dihydroxy-8_12_15_15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03_8]pentadec-11-enyl] 2-methylpropanoate"
	"(1S_9R_12S)-4_13-dimethoxy-17-methyl-17-azoniatetracyclo[7.5.3.01_10.02_7]heptadeca-2(7)_3_5_10_13-pentaene-3_12-diol"
	"(1Z_3E)-1-(2-aminophenyl)-6-hydroxy-5_6-dioxohexa-1_3-dien-1-olate"
	"2-(1_3_4-Thiadiazol-2-ylsulfanyl)acetic acid"
	"2-(1H-1_2_4-Triazol-5-yl)-1H-isoindole-1_3(2H)-dione"
	"2-(2_4-Difluorophenyl)pyrrolidine"
	"2_2^-Sulfonylbis(4-chlorophenol)"
	"2-{[(3_5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acid"
	"2_3^_5-Trichlorobiphenyl"
	"2_3_5-Trichloro-cis_cis-muconate"
	"2_3-Diacetoxy-7_8-epoxy-24_29-dinor-1_3_5-friedelatriene-20-carboxylic acid"
	"2_3-Dihydroxypropane-1-sulfonate"
	"2_3-Diphenyl-1-indanone"
	"2-[3-[(E)-6-Acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(carboxymethyl)-2-hydroxy-3a_5a_9b-trimethyl-5-oxo-2_3_4_6_9_9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid"
	"2_3-Epoxymenaquinone"
	"2-(4-((5_6-Diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)acetic acid"
	"2_4_5-Trichloro-6-methylpyrimidine"
	"2_4_6-Trichlorophenol"
	"2_4-Diaminotoluene"
	"2_4-Dichloro-2_5-dihydro-5-oxofuran-2-acetate"
	"2_4-Dichlorobenzyl imidothiocarbamate"
	"2_4-Dichlorophenoxyacetic acid"
	"2_4-Dihydro-4-(phenylmethyl)-5-(4-pyridinyl)-3H-1_2_4-triazole-3-thione"
	"2_4-Dimethoxy-N-(1-methyl-2-oxo-1_2_3_4-tetrahydroquinolin-6-yl)benzenesulfonamide"
	"2_4-Di-tert-butylphenol"
	"2_4-Quinolinediol"
	"2-[[5-amino-1-[3_4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioate"
	"2-(5-Bromo-2-oxo-1_2-dihydro-3H-indol-3-ylidene)malononitrile"
	"2_5-Diaminotoluene"
	"2_5-Dihydro-2_4_5-trimethyloxazole"
	"2_5-Furandicarboxylic acid"
	"2_5-Hexanedione"
	"2_6-Dibromo-4-nitroaniline"
	"2_6-Dibromophenol"
	"2_6-Dichloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine"
	"2_6-Dimethoxy-3-pyridinylboronic acid"
	"2_8-Quinolinediol"
	"2-Amino-4_6-dichloropyrimidine-5-carbaldehyde"
	"2-Amino-4-phenyl-4H-pyrano[3_2-h]quinoline-3-carbonitrile"
	"2-Chloro-1_1_1-trifluoroethane"
	"2-Chloro-5_6-dimethoxy-3-(2-naphthylthio)-p-benzoquinone"
	"2-Chloro-N-(1_3_4-thiadiazol-2-yl)acetamide"
	"2^-Deoxycytidine-5^-monophosphate"
	"2^-deoxyguanosine"
	"2^-Deoxyinosine"
	"2^-Deoxyuridine"
	"(2E)-3_7-dimethylocta-2_6-dienoate"
	"2H-1-Benzopyran-2-one_6_7-dimethoxy-8-(3-methyl-2-butenyl)-"
	"2^-Hydroxy-4_4^_6^-trimethoxychalcone"
	"2-Iodo-N-(6-methyl-1_3-benzothiazol-2-yl)benzamide"
	"2-Pyrimidinecarboxamide_hexahydro-N-hydroxy-1_3-bis[(4-methoxyphenyl)sulfonyl]-5_5-dimethyl-"
	"[(2R_2As_4aR_7aR_7bR)-3-formyl-2a_4a-dihydroxy-6_6_7b-trimethyl-2_5_7_7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate"
	"(2R_3R_4S_4Ar_6aR_6bS_14aR_14bR)-2_3-dihydroxy-4_6a_6b_11_12_14b-hexamethyl-1_2_3_4a_5_6_7_8_14_14a-decahydropicene-4-carboxylic acid"
	"[(2R_3R_4S_6S)-3_4-dihydroxy-6-methyl-5-oxooxan-2-yl] [[(2R_3S_4R)-5-(2_4-dioxopyrimidin-1-yl)-3_4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate"
	"(2R_3R)-6-Chloro-3-(4-hydroxy-3-methoxyphenyl)-5-methoxy-2-methyl-2_3-dihydropyrano[3_2-h][1_4]benzodioxin-9-one"
	"[(2R_3S_4R)-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3_4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate"
	"[[(2R_3S_4R_5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3_4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate"
	"[(2R_3S_4R_5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate"
	"(2S)-2_3-bis(azaniumyl)propanoate"
	"(2S_3R_4S_5R_6S)-3_4_5-Trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid"
	"[(2S_3R_4S_5S_6R)-3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4S_5R_9S_10R_13S)-5_9-dimethyl-14-methylidene-13-[(2S_3R_4S_5S_6R)-3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01_10.04_9]hexadecane-5-carboxylate"
	"[(2S_3R_4S_6R)-2-[[(3R_4S_5S_7R_9E_11R_12R)-12-ethyl-3_5_7_11-tetramethyl-2_8-dioxo-1-oxacyclododec-9-en-4-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-dimethylazanium"
	"[(2S_3R_4S_6R)-2-[[(3R_4S_5S_7R_9E_11S_12R)-12-ethyl-11-hydroxy-3_5_7_11-tetramethyl-2_8-dioxo-1-oxacyclododec-9-en-4-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-dimethylazanium"
	"(2S_4R)-2-azaniumyl-4-hydroxy-5-oxopentanoate"
	"3_16-DIDEOXYMEXICANOLIDE-3-DIOL"
	"3_17-Androstanediol glucuronide"
	"3-(2_5-dimethoxyphenyl)propanoic acid"
	"3-(2_5-Dimethoxyphenyl)propanoic acid"
	"3-(3_3_3-Trifluoropropylsulfanyl)propanoic acid"
	"3_3-Dimethylglutaric acid"
	"3_4-Dichloro-N-(4-methylbenzyl)benzamide"
	"3_4-Dimethyl-5-pentyl-2-furanundecanoic acid"
	"3-[5-(4-Pyridinyl)-4H-1_2_4-triazol-3-yl]pyridine"
	"3_5_7-Trihydroxy-2-(4-Hydroxyphenyl)-1lambda-Chromen-1-Ylium"
	"3_5-Dibromo-4-hydroxyphenylpyruvate"
	"3-[(5E)-5-{[5-(4-Chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1_3-thiazolidin-3-yl]propanoic acid"
	"3_7-Dihydroxy-12-oxocholanoic acid"
	"3alpha_12alpha-Dihydroxy-5beta-chol-6-enoate"
	"3alpha_7alpha_12alpha-Trihydroxy-5beta-cholestanoate"
	"3alpha_7alpha-Dihydroxy-12-oxo-5beta-cholanate"
	"3-Amino-2_3-dihydrobenzoic acid"
	"(3-Ethyl-2-imino-2_3-dihydro-1H-benzimidazol-1-yl)acetic acid"
	"(3-Iodopyridin-4-yl)carbamic acid_1_1-dimethylethyl ester"
	"3-(Methylsulfonyl)-1H-1_2_4-triazol-5-amine"
	"3-oxo-3-[[(2R_3S_4S_5R_6S)-3_4_5-trihydroxy-6-naphthalen-2-yloxyoxan-2-yl]methoxy]propanoate"
	"3-Quinolinecarboxamide_1_4-dihydro-6-(1-methylethyl)-4-oxo-1-pentyl-N-tricyclo[3.3.1.1(3_7)]dec-1-yl-"
	"(3R_4S_5R)-4_5-dihydroxy-3-phosphonatooxycyclohexene-1-carboxylate"
	"(3S)-5-[(1R_4As_5S_8aS)-5-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-5_8a-dimethyl-2-methylidene-3_4_4a_6_7_8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid"
	"4_5-Dihydroxybenzene-1_2-dicarboxylic acid"
	"4_6-Dimethyl-3_7-diphenyl-2_8-dioxo-2H_8H-benzo(1_2-b"
	"4-Amino-5-tert-butyl-4H-1_2_4-triazole-3-thiol"
	"4-Amino-N-(2_6-dimethylphenyl)benzamide"
	"(4As_6aR_6bR_8aR_9R_10S_12aS_13R_14aS_14bS)-10-acetyloxy-13-hydroxy-9-(hydroxymethyl)-2_2_6b_9_12a_14a-hexamethyl-1_3_4_5_6a_7_8_8a_10_11_12_13_14_14b-tetradecahydropicene-4a-carboxylic acid"
	"4-Benzyloxy-2^-hydroxy-3^_4^_5^_6^-tetramethoxychalcone"
	"(4-Bromo-3_5-dimethyl-1H-pyrazol-1-yl)methanol"
	"4-Chloro-7-fluoropyrrolo[1_2-a]quinoxaline"
	"4-Chloro-8-methoxy-5H-pyrimido[5_4-b]indole"
	"(4-ethyl-2_6-dihydroxyphenyl)oxidanesulfonic acid"
	"4H-1-Benzopyran-4-one_2_3-dihydro-5_7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6_8-dimethyl-_(S)-"
	"4H-Pyrrolo[3_2-c]pyridin-4-one_1_5_6_7-tetrahydro-2-[2-(3-quinolinyl)-4-pyridinyl]-"
	"4-Hydroxy-1_4a-dimethyl-7-(propan-2-yl)-1_2_3_4_4a_5_8_8a-octahydronaphthalen-1-yl 6-deoxy-2-O-((2Z)-2-methylbut-2-enoyl)hexopyranoside"
	"4^-hydroxytrazodone"
	"(4R_12bS)-7_9-dimethoxy-3-methyl-1_2_3_4_7a_13-hexahydro-4_12-methanobenzofuro[3_2-e]isoquinolin-3-ium"
	"(4S_4As_7aS)-4_7-bis(hydroxymethyl)-4-methyl-1_4a_5_7a-tetrahydrocyclopenta[c]pyran-3-one"
	"(4S)-6-chloro-8-hydroxy-4-[2-(1-hydroxycyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3_1-benzoxazin-2-one"
	"5-(1_1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol"
	"5-(2-Fluorophenyl)-1_3_4-oxadiazol-2-amine"
	"5-(3_5-Dinitrophenyl)-1_3_4-thiadiazol-2-amine"
	"5-(5-Chloro-2_4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide"
	"{5-[6-(3_4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5_7-dihydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl}oxidanesulfonic acid"
	"5_6_7-trihydroxy-2-phenyl-4H-chromen-4-one"
	"5_8-Dihydro-6-(4-methyl-3-pentenyl)-1_2_3_4-tetrathiocin"
	"5-Bromo-3-hydroxy-3-(2-oxo-2-phenylethyl)-1_3-dihydro-2H-indol-2-one"
	"5-Chloro-1_2_4-trihydroxybenzene"
	"[(5-Mercapto-1_3_4-thiadiazol-2-yl)thio]acetic acid"
	"5-Methyl-1_3-benzothiazol-2-amine"
	"(5Z)-5-{[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene}-1_3-thiazolidine-2_4-dione"
	"5(Z)_8(Z)_11(Z)-Eicosatrienoic Acid-d6"
	"6_10_14-Trimethyl-2-methylenepentadecanal"
	"6-(3-Chloro-4-methylanilino)-2_4(1H_3H)-pyrimidinedione"
	"6-{[6-(2-carboxyethyl)-4-methoxy-2H-1_3-benzodioxol-5-yl]oxy}-3_4_5-trihydroxyoxane-2-carboxylic acid"
	"6_7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium"
	"6_7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine"
	"6_8a-Seco-6_8a-deoxy-5-oxoavermectin^^1b^^ aglycone"
	"6-Chloroimidazo[2_1-b][1_3]thiazole-5-carbaldehyde"
	"6H-Indolo[2_3-b]quinoline"
	"6-Methyl-3-phenylpyrimido[5_4-e][1_2_4]triazine-5_7(6H_8H)-dione"
	"6^-Oxogentamicin X2"
	"[(6Z_10E_14E)-3_7_11_15_19-pentamethylicosa-6_10_14_18-tetraenyl] phosphate"
	"7-(2-Thienyl)pyrazolo[1_5-a]pyrimidine-3-carboxylic acid"
	"7_8-Dihydro-7_8-dihydroxykynurenate"
	"7_8-dimethyl-10-[(2R_3R_4S)-2_3_4_5-tetrahydroxypentyl]benzo[g]pteridine-2_4-dione"
	"7alpha_12beta-Dihydroxy-5alpha-cholan-24-oic acid"
	"7-Bromo-5-fluoro-1H-indole-2_3-dione"
	"7-chloro-2-(3_4-dimethoxyphenyl)-8-hydroxy-3_5_6-trimethoxy-4H-chromen-4-one"
	"7-tert-Butyl-5_6_7_8-tetrahydro[1]benzothieno[2_3-d]pyrimidine-2_4(1H_3H)-dithione"
	"{8-[2-(acetyloxy)propan-2-yl]-2-oxo-2H_8H_9H-furo[2_3-h]chromen-9-yl}oxidanesulfonic acid"
	"8-Cyclopentyl-1_3-dimethylxanthine"
	"9_10_11_12-Tetrahydro-9_12-epoxy-1H-diindolo[1_2_3-fg"
	"9_10_13-TriHOME"
	"9_10-Dihydroergocornine methanesulfonate"
	"9_10-Dihydroxystearate"
	"9_10-EpOME"
	"9(10H)-Acridinone_1_4_5-trihydroxy-3_6-dimethoxy-10-methyl-"
	"9(S)_12(S)_13(S)-TriHOME"
	"(9Z_12Z)-(8R)-Hydroxyoctadeca-9_12-dienoic acid"
	"Adenosine-5^-phosphosulfate"
	"beta-Alanine_N-[2-[(3-hexylphenyl)amino]-2-oxoethyl]-"
	"Bis-D-fructose 2^_1:2_1^-dianhydride"
	"Cabozantinib (XL184_BMS-907351)"
	"D-Arabinono-1_4-lactone"
	"Deoxysappanone B 7_3^-dimethyl ether"
	"[Des-Tyr1] beta-Casomorphin_bovine"
	"diaminomethylidene-[4-[[5-[(E)-3-[4-(diaminomethylideneazaniumyl)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-2_3-dihydro-1-benzofuran-3-carbonyl]amino]butyl]azanium"
	"D-Xylono-1_4-lactone"
	"(E)-4-Methyl-N-[(3S_4S_7S_10Z)-7-(2-methylpropyl)-5_8-dioxo-3-propan-2-yl-2-oxa-6_9-diazabicyclo[10.2.2]hexadeca-1(14)_10_12_15-tetraen-4-yl]pent-2-enamide"
	"Ethyl 2_4-dioxohexanoate"
	"Ethyl 3-amino-4_6-dimethylthieno[2_3-b]pyridine-2-carboxylate"
	"Ethyl 6_7-dichloro-3-oxo-3_4-dihydroquinoxaline-2-carboxylate"
	"Ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1_2_3_4-tetrahydro-5-pyrimidinecarboxylate"
	"Ethyl 7-bromo-4-oxo-1_4-dihydro-3-quinolinecarboxylate"
	"Methyl 2-[(1R_2S_5R_6R_13S_16S)-6-(furan-3-yl)-1_5_15_15-tetramethyl-8_14_17-trioxo-7-oxatetracyclo[11.3.1.02_11.05_10]heptadec-10-en-16-yl]acetate"
	"Methyl 2-{[(4-methoxyphenyl)carbonyl]amino}-5_6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate"
	"Methyl 5-[(2_4-dichlorophenoxy)methyl]-2-furoate"
	"Methyl 8-bromo-6-fluoro-4-oxo-1_4-dihydroquinoline-2-carboxylate"
	"Methyl(9Z)-8^-oxo-6_8^-diapo-6-carotenoate"
	"N-1_3-Benzothiazol-2-yl-3-oxobutanamide"
	"N-(1-Methyl-2-oxo-1_2_3_4-tetrahydroquinolin-6-yl)-1-(p-tolyl)methanesulfonamide"
	"N-[1-Oxo-3-(4-oxo-1_2_3-benzotriazin-3(4H)-yl)propyl]glycine"
	"N-[2-(4-Oxo-1-phenyl-1_3_8-triazaspiro[4.5]decan-8-yl)ethyl]naphthalene-2-carboxamide"
	"N-(2-aminoethyl)-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2_4-dimethyl-1H-pyrrole-3-carboxamide"
	"N2-Benzyl-N4-cyclohexyl-6-methyl-2_4-pyrimidinediamine"
	"N-(2-Phenylethyl)-N^-(2-pyridinyl)thiourea"
	"N3^-Acetylneomycin"
	"N4-(3-Bromophenyl)quinazoline-4_6-diamine"
	"N-[4-(4-Bromophenyl)-1_3-thiazol-2-yl]-2-chloroacetamide"
	"N-[5-(4-Nitrophenyl)-1_3_4-thiadiazol-2-yl]acetamide"
	"N-(5-Methyl-2-pyridinyl)-N^-(2-phenylethyl)thiourea"
	"N^-Acetyl-4-bromobenzohydrazide"
	"N-Allyl-N^-(3-chlorophenyl)thiourea"
	"N_N-Dimethyl-4-(6-methylbenzo[d]thiazol-2-yl)aniline"
	"N_N-Dimethylarginine"
	"PC(o-22:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z))"
	"PE(20:5(5Z_8Z_11Z_14Z_17Z)/22:5(7Z_10Z_13Z_16Z_19Z))"
	"Pyrazino[1^_2^"
	"Succinic acid-2_2_3_3-d4"
	"TxB3 [9alpha_11_15S-trihydroxythromba-5Z_13E_17Z-trien-1-oic acid]"
Error: The following metabolites in the METABOLITES table were not found in the MS_METABOLITE_DATA table:
	"10H-Phenoxazine-10-butanamine,2-chloro-N,N-diethyl-"
	"11-deoxy-16,16-dimethyl-PGE2"
	"1,1-Dichloroethane"
	"1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone"
	"12,13-DiHOME"
	"1,2,3,4-Tetrahydro-1-naphthylamine"
	"1,2,3-Tris(chloromethoxy)propane"
	"1,2,4,5,7,8-Hexathionane"
	"1-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-2-hydroxy-3-[4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]propan-1-one"
	"1,2-Bis(chloromethoxy)ethane"
	"1,2-Dichloroethane"
	"1,2-Dimethylimidazole"
	"12S-Hydroxy-5Z,8E,10E-heptadecatrienoic acid"
	"13-(3,4-dimethyl-5-pentyl-2-furyl)tridecanoic acid"
	"1-[3-[(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]butan-1-one"
	"1-[3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylate"
	"1-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol"
	"1,3,5,6-Tetrahydroxy-7-methoxyxanthen-9-one"
	"1,3,7-Trimethyluric Acid"
	"1,3-Bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea"
	"1,3-Bis(4-ethoxyphenyl)thiourea"
	"1,3-Diacetylpropane"
	"1,3-Dimethyluric acid"
	"1,4-Dibenzyloxybenzene"
	"1,4-Dimethylphenanthrene"
	"1,4-Piperazinediethanesulfonic acid"
	"1,5-Anhydro-D-fructose"
	"1,5-Isoquinolinediol"
	"16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone"
	"1,6-Dioxacyclohexadecane-7,16-dione"
	"1,7-Dimethyluric acid"
	"1-Cyclohexyl-6,7-difluoro-1,3-benzodiazole"
	"1-Naphthalenesulfonamide,N-(6-aminohexyl)-"
	"1-Oxazolo[4,5-B]pyridin-2-YL-1-dodecanone"
	"1-(Pyrimidin-2-yl)-1,4-diazepane"
	"(1R,13S,16S,22S)-1-hydroxy-7,7-dimethyl-13-(2-methylbut-3-en-2-yl)-6-oxa-12,14,20-triazahexacyclo[11.10.0.02,11.05,10.014,22.016,20]tricosa-2(11),3,5(10),8-tetraene-15,21-dione"
	"[(1R,2R,3Ar,4S,7S,7aR)-7-hydroxy-3a,4-dimethyl-4'-methylidene-2'-oxospiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane]-1-yl] 2-methylpropanoate"
	"[(1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,2,3a,11,13-Pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylbutanoate"
	"[(1R,2R,3R,8R,9R,10R,13S)-2,10-Diacetyloxy-9-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-tricyclo[9.3.1.03,8]pentadeca-5,11-dienyl] acetate"
	"[(1R,2R,4As,5R,8aS)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] hydrogen sulfate"
	"[(1R,2R,5R,9S,17S)-6-Oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl] acetate"
	"(1R,2R,5S,8S,9S,10S,11S)-5-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylate"
	"[(1R,2S,3S,4R,7S,8R,9R,10R,11R,13S,14R,17R)-2,9,10-Triacetyloxy-13-chloro-8,17-dimethyl-12-methylidene-16-oxospiro[15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecane-4,2'-oxirane]-7-yl] acetate"
	"[(1R,3R,5S,8R,9R,10R,13S)-9,10-Diacetyloxy-13-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate"
	"[(1R,4As,4bR,7S,9R,10aR)-9-acetyloxy-7-methoxy-1,4a-dimethyl-7-propan-2-yl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl acetate"
	"(1R,4S,4As,5S,6S,8aR)-4-(hydroxymethyl)-8a-methyl-6-propan-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4,5-triol"
	"(1R,8S,10S,11R,12S)-3,4,11,12-Tetramethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-triene-13,16-dione"
	"[(1S,2S,3S,5S,8S,10S,14S)-2-Acetyloxy-5,10-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-11-enyl] 2-methylpropanoate"
	"(1S,9R,12S)-4,13-dimethoxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-3,12-diol"
	"(1Z,3E)-1-(2-aminophenyl)-6-hydroxy-5,6-dioxohexa-1,3-dien-1-olate"
	"2-(1,3,4-Thiadiazol-2-ylsulfanyl)acetic acid"
	"2-(1H-1,2,4-Triazol-5-yl)-1H-isoindole-1,3(2H)-dione"
	"2-(2,4-Difluorophenyl)pyrrolidine"
	"2,2'-Sulfonylbis(4-chlorophenol)"
	"2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acid"
	"2,3',5-Trichlorobiphenyl"
	"2,3,5-Trichloro-cis,cis-muconate"
	"2,3-Diacetoxy-7,8-epoxy-24,29-dinor-1,3,5-friedelatriene-20-carboxylic acid"
	"2,3-Dihydroxypropane-1-sulfonate"
	"2,3-Diphenyl-1-indanone"
	"2-[3-[(E)-6-Acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid"
	"2,3-Epoxymenaquinone"
	"2-(4-((5,6-Diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)acetic acid"
	"2,4,5-Trichloro-6-methylpyrimidine"
	"2,4,6-Trichlorophenol"
	"2,4-Diaminotoluene"
	"2,4-Dichloro-2,5-dihydro-5-oxofuran-2-acetate"
	"2,4-Dichlorobenzyl imidothiocarbamate"
	"2,4-Dichlorophenoxyacetic acid"
	"2,4-Dihydro-4-(phenylmethyl)-5-(4-pyridinyl)-3H-1,2,4-triazole-3-thione"
	"2,4-Dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide"
	"2,4-Di-tert-butylphenol"
	"2,4-Quinolinediol"
	"2-[[5-amino-1-[3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioate"
	"2-(5-Bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)malononitrile"
	"2,5-Diaminotoluene"
	"2,5-Dihydro-2,4,5-trimethyloxazole"
	"2,5-Furandicarboxylic acid"
	"2,5-Hexanedione"
	"2,6-Dibromo-4-nitroaniline"
	"2,6-Dibromophenol"
	"2,6-Dichloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine"
	"2,6-Dimethoxy-3-pyridinylboronic acid"
	"2,8-Quinolinediol"
	"2-Amino-4,6-dichloropyrimidine-5-carbaldehyde"
	"2-Amino-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile"
	"2-Chloro-1,1,1-trifluoroethane"
	"2-Chloro-5,6-dimethoxy-3-(2-naphthylthio)-p-benzoquinone"
	"2-Chloro-N-(1,3,4-thiadiazol-2-yl)acetamide"
	"2'-Deoxycytidine-5'-monophosphate"
	"2'-deoxyguanosine"
	"2'-Deoxyinosine"
	"2'-Deoxyuridine"
	"(2E)-3,7-dimethylocta-2,6-dienoate"
	"2H-1-Benzopyran-2-one,6,7-dimethoxy-8-(3-methyl-2-butenyl)-"
	"2'-Hydroxy-4,4',6'-trimethoxychalcone"
	"2-Iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide"
	"2-Pyrimidinecarboxamide,hexahydro-N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-"
	"[(2R,2As,4aR,7aR,7bR)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate"
	"(2R,3R,4S,4Ar,6aR,6bS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,14,14a-decahydropicene-4-carboxylic acid"
	"[(2R,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate"
	"(2R,3R)-6-Chloro-3-(4-hydroxy-3-methoxyphenyl)-5-methoxy-2-methyl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one"
	"[(2R,3S,4R)-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate"
	"[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate"
	"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate"
	"(2S)-2,3-bis(azaniumyl)propanoate"
	"(2S,3R,4S,5R,6S)-3,4,5-Trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid"
	"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4S,5R,9S,10R,13S)-5,9-dimethyl-14-methylidene-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate"
	"[(2S,3R,4S,6R)-2-[[(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxo-1-oxacyclododec-9-en-4-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-dimethylazanium"
	"[(2S,3R,4S,6R)-2-[[(3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxo-1-oxacyclododec-9-en-4-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-dimethylazanium"
	"(2S,4R)-2-azaniumyl-4-hydroxy-5-oxopentanoate"
	"3,16-DIDEOXYMEXICANOLIDE-3-DIOL"
	"3,17-Androstanediol glucuronide"
	"3-(2,5-dimethoxyphenyl)propanoic acid"
	"3-(2,5-Dimethoxyphenyl)propanoic acid"
	"3-(3,3,3-Trifluoropropylsulfanyl)propanoic acid"
	"3,3-Dimethylglutaric acid"
	"3,4-Dichloro-N-(4-methylbenzyl)benzamide"
	"3,4-Dimethyl-5-pentyl-2-furanundecanoic acid"
	"3-[5-(4-Pyridinyl)-4H-1,2,4-triazol-3-yl]pyridine"
	"3,5,7-Trihydroxy-2-(4-Hydroxyphenyl)-1lambda-Chromen-1-Ylium"
	"3,5-Dibromo-4-hydroxyphenylpyruvate"
	"3-[(5E)-5-{[5-(4-Chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid"
	"3,7-Dihydroxy-12-oxocholanoic acid"
	"3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate"
	"3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate"
	"3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate"
	"3-Amino-2,3-dihydrobenzoic acid"
	"(3-Ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)acetic acid"
	"(3-Iodopyridin-4-yl)carbamic acid,1,1-dimethylethyl ester"
	"3-(Methylsulfonyl)-1H-1,2,4-triazol-5-amine"
	"3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-naphthalen-2-yloxyoxan-2-yl]methoxy]propanoate"
	"3-Quinolinecarboxamide,1,4-dihydro-6-(1-methylethyl)-4-oxo-1-pentyl-N-tricyclo[3.3.1.1(3,7)]dec-1-yl-"
	"(3R,4S,5R)-4,5-dihydroxy-3-phosphonatooxycyclohexene-1-carboxylate"
	"(3S)-5-[(1R,4As,5S,8aS)-5-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid"
	"4,5-Dihydroxybenzene-1,2-dicarboxylic acid"
	"4,6-Dimethyl-3,7-diphenyl-2,8-dioxo-2H,8H-benzo(1,2-b"
	"4-Amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol"
	"4-Amino-N-(2,6-dimethylphenyl)benzamide"
	"(4As,6aR,6bR,8aR,9R,10S,12aS,13R,14aS,14bS)-10-acetyloxy-13-hydroxy-9-(hydroxymethyl)-2,2,6b,9,12a,14a-hexamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid"
	"4-Benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone"
	"(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methanol"
	"4-Chloro-7-fluoropyrrolo[1,2-a]quinoxaline"
	"4-Chloro-8-methoxy-5H-pyrimido[5,4-b]indole"
	"(4-ethyl-2,6-dihydroxyphenyl)oxidanesulfonic acid"
	"4H-1-Benzopyran-4-one,2,3-dihydro-5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethyl-,(S)-"
	"4H-Pyrrolo[3,2-c]pyridin-4-one,1,5,6,7-tetrahydro-2-[2-(3-quinolinyl)-4-pyridinyl]-"
	"4-Hydroxy-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl 6-deoxy-2-O-((2Z)-2-methylbut-2-enoyl)hexopyranoside"
	"4'-hydroxytrazodone"
	"(4R,12bS)-7,9-dimethoxy-3-methyl-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium"
	"(4S,4As,7aS)-4,7-bis(hydroxymethyl)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-3-one"
	"(4S)-6-chloro-8-hydroxy-4-[2-(1-hydroxycyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one"
	"5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol"
	"5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-amine"
	"5-(3,5-Dinitrophenyl)-1,3,4-thiadiazol-2-amine"
	"5-(5-Chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide"
	"{5-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl}oxidanesulfonic acid"
	"5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one"
	"5,8-Dihydro-6-(4-methyl-3-pentenyl)-1,2,3,4-tetrathiocin"
	"5-Bromo-3-hydroxy-3-(2-oxo-2-phenylethyl)-1,3-dihydro-2H-indol-2-one"
	"5-Chloro-1,2,4-trihydroxybenzene"
	"[(5-Mercapto-1,3,4-thiadiazol-2-yl)thio]acetic acid"
	"5-Methyl-1,3-benzothiazol-2-amine"
	"(5Z)-5-{[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene}-1,3-thiazolidine-2,4-dione"
	"5(Z),8(Z),11(Z)-Eicosatrienoic Acid-d6"
	"6,10,14-Trimethyl-2-methylenepentadecanal"
	"6-(3-Chloro-4-methylanilino)-2,4(1H,3H)-pyrimidinedione"
	"6-{[6-(2-carboxyethyl)-4-methoxy-2H-1,3-benzodioxol-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid"
	"6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium"
	"6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine"
	"6,8a-Seco-6,8a-deoxy-5-oxoavermectin''1b'' aglycone"
	"6-Chloroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde"
	"6H-Indolo[2,3-b]quinoline"
	"6-Methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione"
	"6'-Oxogentamicin X2"
	"[(6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] phosphate"
	"7-(2-Thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid"
	"7,8-Dihydro-7,8-dihydroxykynurenate"
	"7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione"
	"7alpha,12beta-Dihydroxy-5alpha-cholan-24-oic acid"
	"7-Bromo-5-fluoro-1H-indole-2,3-dione"
	"7-chloro-2-(3,4-dimethoxyphenyl)-8-hydroxy-3,5,6-trimethoxy-4H-chromen-4-one"
	"7-tert-Butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dithione"
	"{8-[2-(acetyloxy)propan-2-yl]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl}oxidanesulfonic acid"
	"8-Cyclopentyl-1,3-dimethylxanthine"
	"9,10,11,12-Tetrahydro-9,12-epoxy-1H-diindolo[1,2,3-fg"
	"9,10,13-TriHOME"
	"9,10-Dihydroergocornine methanesulfonate"
	"9,10-Dihydroxystearate"
	"9,10-EpOME"
	"9(10H)-Acridinone,1,4,5-trihydroxy-3,6-dimethoxy-10-methyl-"
	"9(S),12(S),13(S)-TriHOME"
	"(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid"
	"Adenosine-5'-phosphosulfate"
	"beta-Alanine,N-[2-[(3-hexylphenyl)amino]-2-oxoethyl]-"
	"Bis-D-fructose 2',1:2,1'-dianhydride"
	"Cabozantinib (XL184,BMS-907351)"
	"D-Arabinono-1,4-lactone"
	"Deoxysappanone B 7,3'-dimethyl ether"
	"[Des-Tyr1] beta-Casomorphin,bovine"
	"diaminomethylidene-[4-[[5-[(E)-3-[4-(diaminomethylideneazaniumyl)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]butyl]azanium"
	"D-Xylono-1,4-lactone"
	"(E)-4-Methyl-N-[(3S,4S,7S,10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pent-2-enamide"
	"Ethyl 2,4-dioxohexanoate"
	"Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate"
	"Ethyl 6,7-dichloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate"
	"Ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate"
	"Ethyl 7-bromo-4-oxo-1,4-dihydro-3-quinolinecarboxylate"
	"Methyl 2-[(1R,2S,5R,6R,13S,16S)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate"
	"Methyl 2-{[(4-methoxyphenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate"
	"Methyl 5-[(2,4-dichlorophenoxy)methyl]-2-furoate"
	"Methyl 8-bromo-6-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate"
	"Methyl(9Z)-8'-oxo-6,8'-diapo-6-carotenoate"
	"N-1,3-Benzothiazol-2-yl-3-oxobutanamide"
	"N-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(p-tolyl)methanesulfonamide"
	"N-[1-Oxo-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propyl]glycine"
	"N-[2-(4-Oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]naphthalene-2-carboxamide"
	"N-(2-aminoethyl)-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide"
	"N2-Benzyl-N4-cyclohexyl-6-methyl-2,4-pyrimidinediamine"
	"N-(2-Phenylethyl)-N'-(2-pyridinyl)thiourea"
	"N3'-Acetylneomycin"
	"N4-(3-Bromophenyl)quinazoline-4,6-diamine"
	"N-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-2-chloroacetamide"
	"N-[5-(4-Nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide"
	"N-(5-Methyl-2-pyridinyl)-N'-(2-phenylethyl)thiourea"
	"N'-Acetyl-4-bromobenzohydrazide"
	"N-Allyl-N'-(3-chlorophenyl)thiourea"
	"N,N-Dimethyl-4-(6-methylbenzo[d]thiazol-2-yl)aniline"
	"N,N-Dimethylarginine"
	"PC(o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"
	"PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))"
	"Pyrazino[1',2'"
	"Succinic acid-2,2,3,3-d4"
	"TxB3 [9alpha,11,15S-trihydroxythromba-5Z,13E,17Z-trien-1-oic acid]"
Warning: The "ri" column at position 7 in the METABOLITES table, matches a standard column name, "retention_index". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name.
Warning: The "ri_type" column at position 8 in the METABOLITES table, matches a standard column name, "retention_index_type". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name.
Warning: The column pair, "ri" and "ri_type", in the METABOLITES table should have data in the same rows, but at least one row has data in one column and nothing in the other.
Warning: The standard column, "other_id", was found in the METABOLITES table as "other_id". If this column contains database IDs for standard databases such as KEGG, PubChem, HMDB, etc., it is recommended to make individual columns for these and not lump them together into a less descriptive "other_id" column.
Warning: The "inchi_key" column at position 3 in the METABOLITES table has all null values.
Warning: The "kegg_id" column at position 4 in the METABOLITES table has all null values.
Warning: The "other_id" column at position 5 in the METABOLITES table has all null values.
Warning: The "other_id_type" column at position 6 in the METABOLITES table has all null values.
Warning: The "ri_type" column at position 8 in the METABOLITES table has all null values.
Warning: The "moverz_quant" column at position 9 in the METABOLITES table has all null values.