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Analysis: HILIC POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-AMINO-DECANOIC ACID-ME770295--4.971-
(10E,15Z)-9,12,13-TRIHYDROXYOCTADECA-10,15-DIENOIC...-ME769725--1.827-
10-NITROOLEIC ACID10-Nitrooleic acidME770274--1.253-
(10S,13S)-10-ISOPROPYL-9-METHYL-13-METHYLOL-3,9,12...-ME769680--2.177-
1-(11Z-EICOSENOYL)-2-(9Z,12Z-HEPTADECADIENOYL)-GLY...-ME769229--3.415-
1-(1,3,11-TRIHYDROXY-10,13-DIMETHYL-2,3,4,7,8,9,11...-ME769574--0.938-
1-(1,3-BENZODIOXOL-4-YL)-2-(METHYLAMINO)PROPAN-1-O...-ME769989--2.844-
1-(1,3-BENZODIOXOL-5-YL)-2-(METHYLAMINO)BUTAN-1-ON...-ME769164--2.372-
1-(1-ADAMANTYL)-3-(1-PROPYL-4-PIPERIDYL)UREA-ME769874--2.91-
[1,1'-BIPHENYL]-2,2'-DIOL-ME769485--1.006-
1,1-DIMETHYLPIPERIDINIUM-ME769799--3.319-
1,1-DIMETHYLPYRROLIDIN-1-IUM-2-CARBOXYLATE-ME769186--7.504-
(11E,15Z)-9,10,13-TRIHYDROXYOCTADECA-11,15-DIENOIC...-ME770482--1.458-
1-(1-ETHYL-3,5-DIMETHYL-PYRAZOL-4-YL)SULFONYLISONI...-ME769493--3.082-
1-(1H-INDOL-4-YLOXY)-3-[(PROPAN-2-YL)AMINO]PROPAN-...-ME770659--5.494-
1-(1-HYDROXY-1-METHYL-ETHYL)-3A-METHYL-6,10-DIMETH...-ME769362--1.024-
11-HYDROXY-UNDECANOIC ACID-ME769616--1.622-
1-(1-NAPHTHYL)-3-(2-PYRIDYL)UREA-ME770439--0.961-
12(13)-EPOME12(13)-EpOMEME769157--1.057-
1-[2-(1H-IMIDAZOL-5-YL)ETHYL]-3-PHENETHYL-THIOUREA-ME770784--9.649-
1-[2-[2-[2-[2-[2-(2-BUTOXY-1-METHYL-ETHOXY)-1-METH...-ME769011--1.047-
1,2,3,3-TETRAMETHYLNORBORNAN-2-OL-ME769007--1.445-
1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID-ME769139--4.769-
1,2,3,4-TETRAHYDROQUINOLINE-6-CARBOXYLIC ACID-ME769035--2.835-
1-(2,3-DIMETHYLPHENYL)-2-(ETHYLAMINO)PROPAN-1-ONE-ME769766--2.298-
1-[(2-{4-[BROMO(DIFLUORO)METHOXY]PHENYL}-2-METHYLP...-ME770877--2.985-
1-{[2-(4-ETHOXYPHENYL)-2-METHYLPROPOXY]METHYL}-3-P...-ME770405--1.789-
[1-[2-(4-METHOXYPHENYL)ETHYL]-4-PIPERIDYL]AMINE-ME770601--4.874-
1-[(2,5,8A-TRIMETHYL-5-METHYLOL-1,4,4A,6,7,8-HEXAH...-ME769384--1.833-
1-(2,5-DIMETHOXYPHENYL)-3-PROPYL-THIOUREA-ME770527--5.241-
1-(2,6-DICHLORO-4-PYRIDINYL)-3-[(1,3-DIMETHYL-4-PR...-ME770034--2.313-
1-(2,6-DIMETHYLPHENYL)-2H-TETRAZOLE-5-THIONE-ME769116--1.061-
1-(2-BROMOPHENYL)-3,5-DIMETHYL-PYRAZOLE-ME770920--3.867-
1-(2-CHLOROACETYL)NIPECOTAMIDE-ME769088--4.916-
1-(2-CHLOROBENZYL)-5-KETO-PYRROLIDINE-3-CARBOXYLIC...-ME769910--3.204-
1,2-DI-(9E-HEXADECENOYL)-SN-GLYCERO-3-PHOSPHOCHOLI...-ME769365--3.742-
1,2-DI-(9Z,12Z-HEPTADECADIENOYL)-SN-GLYCERO-3-PHOS...-ME769297--3.413-
1,2-DI-(9Z-HEPTADECENOYL)-SN-GLYCERO-3-PHOSPHOETHA...-ME769847--3.934-
1,2-DIHEPTADECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE-ME770052--3.693-
1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINEPC 8:0/8:0ME770378--3.475-
1,2-DIPENTADECANOYL-SN-GLYCERO-3-PHOSPHO-(1'-SN-GL...-ME770418--4.117-
1-[2-(ETHOXYMETHYL)-4-IMINO-1H,4H,5H-IMIDAZO[4,5-C...-ME770518--3.486-
1-(2-ETHYL-2-METHYL-TETRAHYDROPYRAN-4-YL)HEXAN-1-O...-ME769788--1.027-
1-(2-ETHYLBUTYL)-N-{2-[(2-METHYLPROPANOYL)SULFANYL...-ME770424--1.129-
[1-(2H-1,3-BENZODIOXOL-5-YL)PROPAN-2-YL](ETHYL)AMI...-ME770766--4.725-
1-(2-HYDROXYETHYL)-2,2,6,6-TETRAMETHYL-PIPERIDIN-4...-ME770108--4.06-
1-(2-HYDROXYETHYL)-3-(2-METHOXYPHENYL)UREA-ME769712--2.753-
1-(2-HYDROXYETHYL)-3-METHYL-6,7-DIHYDRO-5H-INDAZOL...-ME769814--2.168-
12-HYDROXYJASMONIC ACID12-Hydroxyjasmonic acidME770063--2.813-
12-HYDROXYSENECIONAN-11,16-DIONE 4-OXIDE-ME769895--3.676-
1-(2-ISOPROPOXYPHENYL)PIPERAZINE-ME769957--3.543-
12-KETODEOXYCHOLIC ACID12-Ketolithocholic acidME769208--1.231-
1-(2-METHYL-3,4-DIHYDRO-2H-QUINOLIN-1-YL)ETHANONE-ME770618--4.073-
1-(2-NAPHTHYL)-2-PYRROLIDINO-PENTAN-1-ONE-ME769260--2.98-
(12Z,15Z)-7,9,10-TRIHYDROXYOCTADECA-12,15-DIENOIC ...-ME769466--1.717-
(12Z,15Z)-9,10,11-TRIHYDROXYOCTADECA-12,15-DIENOIC...-ME770663--1.317-
13,14-DIHYDRO-15-KETO-PGD213,14-Dihydro-15-keto-PGD2ME770225--2.253-
1,3,3A,4,5,6,7,8,9,10,11,12,13,13A-TETRADECAHYDROC...-ME770944--6.06-
1-(3,4-DICHLOROPHENYL)-3-[2-(1H-IMIDAZOL-5-YL)ETHY...-ME770599--9.507-
1-(3,4-DIHYDROXY-5-METHOXY-PHENYL)-7-(3,4-DIHYDROX...-ME770223--1.087-
1-(3,4-DIMETHOXYPHENYL)-2-(ETHYLAMINO)PENTAN-1-ONE-ME770293--3.825-
1-(3,4-DIMETHOXYPHENYL)-2-(METHYLAMINO)PROPAN-1-ON...-ME770199--3.374-
(1,3,5-TRIMETHYLPYRAZOL-4-YL)METHANOL-ME769176--2.91-
1,3,7,8-TETRAMETHYLXANTHINE-ME769646--3.189-
1-(3,7-DIHYDROXYPHENOXAZIN-10-YL)ETHANONE-ME769894--2.28-
1-[3-(ACETYLTHIO)PROPANOYL]-6-METHYL-PIPECOLINIC A...-ME770645--6.653-
1-(3-AMINOPROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDRO-2...-ME770026--2.949-
1-(3-BROMOPROPYL)PYRROLIDINE-ME769608--4.208-
1-(3-CHLOROPHENYL)-3-PHENETHYL-UREA-ME769781--2.036-
1-(3-CHLOROPHENYL)PIPERAZINE-ME770207--3.621-
1,3-DIHYDROXYPROPAN-2-YL (9Z,12Z)-OCTADECA-9,12-DI...-ME769475--0.996-
1-(3-ETHYLPYRAZIN-2-YL)ETHAN-1-ONE-ME769902--3.629-
1-(3-MERCAPTOPROPANOYL)-6-METHYL-PIPECOLINIC ACID-ME770833--14.84-
1-(3-METHYLPYRAZIN-2-YL)ETHAN-1-ONE2-Acetyl-3-methylpyrazineME769975--3.623-
13Z-DOCOSENAMIDE13Z-DocosenamideME770132--0.953-
(13Z)-ICOS-13-ENOIC ACID-ME770174--1.736-
(13Z)-OCTADEC-13-ENOIC ACID-ME769074--0.841-
1-[4-(2-METHOXYPHENYL)PIPERAZIN-1-YL]-3-(NAPHTHALE...-ME770600--5.584-
1-[4-(4-AMINO-2-METHYL-PHENYL)PIPERAZINO]ETHANONE-ME769130--2.909-
1,4,7-TRIAZONANE-ME770629--1.541-
1,4A,7-TRIMETHYL-7-VINYL-3,4,6,8,8A,9,10,10A-OCTAH...-ME770124--1.195-
1-(4-ACETAMIDOPHENYL)-5-KETO-PYRROLIDINE-3-CARBOXY...-ME769185--4.16-
1-(4-AMINOPHENYL)ETHANONE-ME769364--2.634-
1-(4-BROMO-3,5-DIMETHYL-PYRAZOL-1-YL)ACETONE-ME769239--1.465-
1-(4-BROMOPHENYL)PIPERAZINE-ME770760--14.315-
1,4-DIHYDROXY-2,2-DIMETHYL-PIPERAZINE-ME770701--14.183-
1-[4-(DIMETHYLAMINO)PHENYL]ETHANOL-ME770500--3.272-
1-(4-ETHYLPHENYL)-5-KETO-PYRROLIDINE-3-CARBOXYLIC ...-ME770544--4.273-
1-(4-FLUOROPHENYL)-1-[3-(METHYLAMINO)PROPYL]-1,3-D...-ME769907--2.297-
14-HYDROXY-5,9-DIMETHYL-14-METHYLOL-TETRACYCLO[11....-ME769744--1.594-
1-(4-HYDROXYPHENYL)-5-KETO-PYRROLIDINE-3-CARBOXYLI...-ME769091--2.292-
1-(4-IODOPHENYL)PIPERAZINE-ME770522--9.917-
1-(4-METHOXYPHENYL)PIPERAZINE-ME769745--3.73-
1-(4-NITROPHENYL)AZEPANE-ME770291--2.459-
1-(4-PIPERIDYL)ETHANOL-ME769784--5.469-
1-(4-PYRIDYL)PIPERAZINE-ME769853--3.535-
(14Z,17Z,20Z,23Z,26Z,29Z)-DOTRIACONTA-14,17,20,23,...-ME770324--1.983-
(1,5-DIMETHYLPYRAZOL-3-YL)METHYLAMINE-ME769532--4.811-
15-KETO-PGE115-Keto-PGE1ME770234--1.478-
[1-(5-METHYLHEXYL)INDOL-3-YL]-(2,2,3,3-TETRAMETHYL...-ME769551--1.915-
1-(5-METHYLPYRIDIN-2-YL)ETHAN-1-ONE-ME770067--3.135-
16-[4,5-DIHYDROXY-6-METHYLOL-3-(3,4,5-TRIHYDROXY-6...-ME769133--3.877-
16A-HYDROXYDEHYDROISOANDROSTERONE-ME769968--1.008-
17-[1-HYDROXY-1-(5-METHYL-2-PIPERIDYL)ETHYL]-10,13...-ME769510--2.589-
17ALPHA-HYDROXYPREGNENOLONE17alpha-HydroxypregnenoloneME769527--1.217-
1,7-BIS(3,4-DIHYDROXYPHENYL)HEPTAN-3-ONE-ME770156--1.203-
1,7-BIS(4-HYDROXYPHENYL)HEPTAN-3-ONE-ME770781--5.8-
1,7-DIMETHYLURIC ACID1,7-Dimethyluric acidME769802--3.599-
1,7-DIOXACYCLOHEPTADECAN-8-ONE-ME769723--2.445-
[1-(7H-PURIN-6-YL)-4-PIPERIDYL]AMINE-ME769442--4.184-
1-[(7-ISOAMYL-2,6-DIKETO-1,3-DIMETHYL-PURIN-8-YL)M...-ME769489--2.81-
1-(7-METHOXY-1,3-BENZODIOXOL-5-YL)-2-(METHYLAMINO)...-ME769734--4.071-
1-(9E-HEXADECENOYL)-SN-GLYCERO-3-PHOSPHOCHOLINE-ME770686--5.247-
1,9S,11R,15S-TETRAHYDROXY-13E-PROSTAENE-ME769927--1.089-
1-(9Z,12Z,15Z-OCTADECATRIENOYL)-2-HEXADECANOYL-3-O...-ME769373--3.115-
1-(9Z,12Z-HEPTADECADIENOYL)-2-(11Z,14Z-EICOSADIENO...-ME769022--3.362-
1-(9Z-HEPTADECENOYL)-2-(9Z-NONADECENOYL)-GLYCERO-3...-ME770105--3.985-
1-(9Z-HEPTADECENOYL)-2-(9Z-OCTADECENOYL)-GLYCERO-3...-ME769727--3.987-
1-(9Z-HEPTADECENOYL)-SN-GLYCERO-3-PHOSPHOETHANOLAM...-ME769663--5.669-
1-(9Z-NONADECENOYL)-GLYCERO-3-PHOSPHOETHANOLAMINE-ME769985--5.863-
1-(9Z-PENTADECENOYL)-GLYCERO-3-PHOSPHOCHOLINE-ME770822--5.791-
1A,1B-DIHOMO-9S,11R,15S-TRIHYDROXY-5Z,13E-PROSTADI...1a,1b-dihomo-PGF2alphaME770427--2.373-
1-ACETYL-10A,12A-DIMETHYL-4,4A,4B,5,6,10B,11,12-OC...-ME769764--0.864-
1-ACETYL-D-PROLINE-ME769360--3.179-
1-ACETYLISONIPECOTIC ACID-ME770874--2.138-
1-(ALPHA-METHYL-4-(2-METHYLPROPYL)BENZENEACETATE)-...-ME768978--3.305-
1-AMINO-2-PHENYL-CYCLOPROPANECARBOXYLIC ACID-ME769747--6.846-
1-AMINO-3-(P-TOLYL)THIOUREA-ME769472--2.458-
(1-AMINOCYCLOBUTYL)METHYLAMINE-ME770893--13.61-
1-AMMONIOCYCLOBUTANECARBOXYLATE-ME769323--10.579-
1-AZANIUMYLCYCLOHEXANE-1-CARBOXYLATE1-Azaniumylcyclohexane-1-carboxylateME770882--0.769-
1-BENZHYDRYL-3,3-DIFLUORO-AZETIDINE-ME769425--2.468-
1-BENZYL-4-(3-ETHOXY-4-METHOXY-BENZYL)PIPERAZINE-ME769798--2.621-
1-BENZYL-4-PHENYL-PIPERIDIN-4-OL-ME769282--2.456-
1-BENZYL-5-KETO-PYRROLIDINE-3-CARBOHYDRAZIDE-ME770313--4.832-
1-(BUTYLAMINO)-3-PHENOXY-PROPAN-2-OL-ME769520--4.212-
1-BUTYL-N-(2,6-DIMETHYLPHENYL)PIPERIDINE-2-CARBOXA...-ME769641--3.98-
1-CHLOROSULFONYLNIPECOTIC ACID ETHYL ESTER-ME769057--1.157-
1-(CYANOMETHYL)CYCLOHEXANECARBONITRILE-ME770538--6.316-
(1-CYCLOBUTYL-4-PIPERIDYL)AMINE-ME770134--3.771-
(1-CYCLOHEPTYL-4-PIPERIDYL)AMINE-ME770024--3.863-
1-CYCLOHEXYL-3-[2-(1H-IMIDAZOL-5-YL)ETHYL]UREA-ME769207--3.073-
1-CYCLOHEXYL-3-(2-PHENYLETHYL)UREA-ME770922--4.129-
1-(CYCLOHEXYLMETHYL)PROLINE-ME770903--7.16-
1-CYCLOPROPYL-6-FLUORO-BENZOTRIAZOLE-ME770490--5.392-
1-DIBUTYLPHOSPHORYLBUTANE-ME769733--1.053-
1-(DIMETHYLAMINO)-3-(1-NAPHTHOXY)PROPAN-2-OL-ME770725--4.974-
1-(DIMETHYLPHOSPHORYL)DECANE-ME769377--1.057-
(1E,6E)-1-(4-HYDROXY-3-METHOXYPHENYL)-7-(4-HYDROXY...-ME769420--1.047-
1-[(E)-CINNAMYL]PIPERAZINE-ME770875--6.119-
1-EICOSANOYL-2-(9Z-PENTADECENOYL)-GLYCERO-3-PHOSPH...-ME770073--3.655-
1-EICOSYL-GLYCERO-3-PHOSPHOCHOLINE-ME770589--5.237-
1-ETHYL-3-METHYL-1H-IMIDAZOL-3-IUM-ME769796--4.603-
(1-ETHYL-3-PIPERIDYL)AMINE-ME770870--15.72-
(1-ETHYL-4-PIPERIDYL)AMINE-ME770831--15.77-
1H-BENZIMIDAZOL-2-YLMETHYL(PHENYL)AMINE-ME770018--1.004-
1-HENEICOSANOYL-2-(9Z-TETRADECENOYL)-GLYCERO-3-PHO...-ME769540--3.635-
1-HEXADECANOYL-2-(5-OXOVALEROYL)-SN-GLYCERO-3-PHOS...-ME770025--4.596-
1-HEXADECANOYL-2-(9Z-HEPTADECENOYL)-GLYCERO-3-PHOS...-ME769150--3.751-
1-HEXADECANOYL-2-(9Z-NONADECENOYL)-GLYCERO-3-PHOSP...-ME769538--3.968-
1-HEXADECANOYL-RAC-GLYCEROL-ME769952--1.845-
1H-INDOL-2-AMINE-ME769480--1.118-
1H-INDOL-2-OL-ME770644--5.828-
1-ISOBUTYL-5-METHYL-PYRIMIDINE-2,4-QUINONE-ME769703--2.127-
1-MESYLNIPECOTOHYDRAZIDE-ME769125--5.653-
1-METHOXY-3-METHYL-9H-CARBAZOLE-ME769402--1.029-
1-METHYL-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLIC A...-ME770547--4.338-
1-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-3-CARB...Tetrahydroharman-3-carboxylic acidME770950--7.072-
1-METHYL-2,3,4,9-TETRAHYDROPYRIDO[3,4-B]INDOL-7-ON...-ME770534--4.942-
(1-METHYL-2-PIPERIDINO-ETHYL)AMINE-ME770433--3.264-
1-METHYL-3-(2-METHYLPROPYL)-2,3,6,9-TETRAHYDRO-1H-...-ME769028--2.676-
1-METHYL-3-[(2R)-1-METHYL-2-PYRROLIDINYL]PYRIDIN-1...-ME769418--3.044-
1-METHYL-3-NICOTINOYL-2-PIPERIDONE-ME769882--2.093-
(1-METHYL-3-PIPERIDYL)AMINE-ME769990--5.379-
1-METHYL-4-(1-METHYLPYRROLIDIN-2-YL)-9H-BETA-CARBO...-ME769238--2.938-
1-METHYL-4-[2-(4-PIPERIDYL)ETHYL]PIPERAZINE-ME769121--3.857-
1-METHYLBENZOTRIAZOLE-ME769461--2.682-
1-METHYLHISTAMINE1-MethylhistamineME769291--5.726-
1-METHYLINDAZOLE-4-CARBALDEHYDE-ME770100--1.409-
1-METHYLINDOLE-3-CARBOXAMIDE-ME770155--1.217-
1-METHYLISONIPECOTIC ACID-ME769400--6.417-
1-METHYL NICOTINAMIDE1-Methyl nicotinamideME768906--5.471-
1-METHYLNIPECOTIC ACID-ME770497--7.743-
1-METHYLPYRROLE-2-CARBOXYLIC ACID METHYL ESTER-ME769027--2.042-
(1-METHYLPYRROLIDIN-3-YL)-(3-PYRIDYL)METHANONE-ME770491--2.821-
1-METHYLXANTHINE1-MethylxanthineME769762--2.697-
1-OCTADECANOYL-2-(9Z,12Z-HEPTADECADIENOYL)-GLYCERO...-ME769951--3.478-
1-OCTADECANOYL-RAC-GLYCEROLMG 18:0ME770191--1.808-
1-OCTADECYL-2-ACETYL-SN-GLYCERO-3-PHOSPHOCHOLINE-ME770951--5.202-
1-OXAZOLO[4,5-B]PYRIDIN-2-YLOCTADEC-9-YN-1-ONE-ME769224--1.125-
1-PENTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE-ME770761--5.514-
1-PHENYL-6,7-DIHYDRO-5H-INDAZOL-4-ONE-ME770763--3.5-
(1-PHENYLETHYL)HYDRAZINE-ME769414--2.493-
1-PIPERIDIN-4-YLPIPERIDIN-3-OL-ME769800--4.256-
1-PIPERIDINO-3-(1,2,3,4-TETRAHYDROCARBAZOL-9-YL)PR...-ME770030--2.998-
1-PIPERIDINOPROPAN-2-OL-ME770136--4.112-
(1-PROPYL-3-PIPERIDYL)AMINE-ME769272--4.084-
1-(P-TOLYL)BUTAN-1-ONE-ME769174--2.203-
1-(P-TOLYL)CYCLOPROPANECARBOXYLIC ACID-ME769058--1.046-
1-PYRIDIN-2-YLPIPERIDIN-4-AMINE-ME769218--3.191-
1-PYRIDIN-4-YLPIPERIDIN-4-AMINE-ME769128--3.786-
(1R,10S,13S)-9-OXA-4,13-DIAZATETRACYCLO[11.2.1.0^{...-ME770112--2.749-
(1R)-1-[(2S,4AR,4BS,6S,8R,8AS)-6-HYDROXY-2,4B,8-TR...-ME769808--1.559-
(1R,15R,17S,18S)-17-ETHYL-7-METHOXY-3,13-DIAZAPENT...-ME769443--3.027-
(1R,1'R,5R,5'R,9R)-6',6',10,10-TETRAMETHYLSPIRO[6-...-ME770422--1.084-
(1R,2R)-2-[(2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-CYAN...-ME769838--2.073-
(1R,2R,3S,5R)-3-BENZOYLOXY-8-AZABICYCLO[3.2.1]OCTA...-ME770530--2.077-
(1R,2R,4AS,6AS,6BR,10R,11S,12R,12AR)-1,10,11,12-TE...-ME770864--1.079-
(1R,2R,9R,17S)-7,13-DIAZATETRACYCLO[7.7.1.02,7.013...-ME770466--2.772-
(1R,2S)-2-AMINOCYCLOPENTANECARBOXYLIC ACID ETHYL E...-ME769000--4.784-
(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,...-ME770353--3.268-
(1R,3AR,5AR,5BR,8R,9R,11AR,13AR)-9-ACETOXY-1-ISOPR...-ME769265--1.102-
(1R,3AR,8S,8AS)-1-ISOPROPYL-3A,6-DIMETHYL-2,3,4,7,...-ME770111--1.941-
(1R,3AS,5AR,5BR,7AR,9S,11AR,11BR,13AR,13BS)-1-ACET...-ME770053--1.077-
(1R,3R,3AS,4S,6Z,7R,9AR,10AR)-1-(HYDROXYMETHYL)-4,...-ME769748--1.015-
(1R,3'S,4S,6R,7R,11Z)-7-HYDROXY-3',6,7,14-TETRAMET...-ME769220--4.846-
(1R,3S,5R,6S)-6-HYDROXY-8-METHYL-8-AZABICYCLO[3.2....-ME770282--2.53-
(1R,3S,5S,7R)-5-ISOPROPENYL-2,8-DIMETHYLENE-CYCLOD...-ME769978--0.976-
(1R,3S,5Z)-5-{2-[(1R,3AS,4E,7AR)-1-[(2R,3E,5R)-5,6...-ME769424--0.888-
(1R,3S,5Z)-5-{2-[(1R,3AS,4E,7AR)-1-[(2R,5R)-5-HYDR...-ME769093--1.63-
(1R,4AR,4BS,6AS,9R,10R,10AS)-1-(CARBOXYMETHYL)-2-(...-ME770504--1.137-
(1R,4AR,6AR,7S)-1-HYDROXY-2-KETO-7,8-DIMETHYL-1-ME...-ME770567--1.182-
(1R,4AR,7S)-1,4A,7-TRIMETHYL-7-VINYL-3,4,4B,5,6,8,...-ME769768--0.908-
(1R,4AS,5R,8AS)-5-(5-HYDROXY-3-METHYL-PENTYL)-1,4A...-ME769810--0.876-
(1R,4S,5R,9S,10R,13S)-13-HYDROXY-5,9-DIMETHYL-14-M...-ME769940--0.965-
(1~{R},4~{S},5~{R},9~{S},10~{R},13~{S})-14-KETO-5,...-ME769596--0.998-
(1R,4Z,7R)-4-ETHYLIDENE-7-HYDROXY-7-METHYL-6-METHY...-ME769279--2.721-
(1R,5R)-6-HYDROXY-8-METHYL-8-AZABICYCLO[3.2.1]OCTA...-ME770839--3.793-
(1R,5R,9R,13R)-1,5,9-TRIMETHYL-11,14,15,16-TETRAOX...-ME769099--0.917-
[(1R,5R,9S,13S)-5,9,13-TRIMETHYL-5-TETRACYCLO[11.2...MethanolME769171--0.866-
(1R,5S)-1-(1-HYDROXY-2-METHYL-PROPYL)-4-METHYL-6-O...-ME769328--1.612-
(1R,6S,11AS,13S,14AR)-1,13-DIHYDROXY-6-METHYL-1H,4...-ME770673--6.836-
(1R,6S)-4,4,7,7-TETRAMETHYL-3-OXABICYCLO[4.1.0]HEP...-ME770294--1.411-
(1S)-1,5-ANHYDRO-2-O-(ALPHA-L-RHAMNOPYRANOSYL)-1-[...-ME769690--7.203-
(1S,2R,10R,13R,14S,18S)-9-HYDROXY-2,18-DIMETHYL-6,...-ME769920--0.893-
(1S,2R,4AS,6AR,6AS,6BR,8AR,10S,12AR,14BS)-10-HYDRO...-ME770364--1.037-
(1S,2R)-5-METHOXY-1-METHYL-N-PROPYL-1,2,3,4-TETRAH...-ME770375--3.522-
(1S,2R,8R,8AR)-OCTAHYDROINDOLIZINE-1,2,8-TRIOL-ME770568--2.627-
(1S,2R,9S,10R,13R,14S,17S,18S)-2,17,18-TRIMETHYL-6...-ME769826--2.649-
(1S,2R,9S,10S,12S)-12-HYDROXY-7,15-DIAZATETRACYCLO...-ME770656--1.171-
(1S,2S,10S,13R,14S,16S,17R,18S)-2,17,18-TRIMETHYL-...-ME770289--2.171-
[(1S,2S,4R,5R)-9-METHYL-3-OXA-9-AZATRICYCLO[3.3.1....-ME769525--3.502-
(1S,2S,4R,8S,9S,12S,13R)-8-ACETYL-6,9,13-TRIMETHYL...-ME769571--1.479-
(1S,2S,5R,6S)-2-AMINOBICYCLO[3.1.0]HEXANE-2,6-DICA...-ME770862--3.645-
[(1S,2S,5S,7S,10R,11S,15S)-2,15-DIMETHYL-14-OXOTET...-ME770451--1.343-
(1S,2S,8AR)-1-[(Z)-5-HYDROXY-3-METHYL-PENT-3-ENYL]...-ME769644--0.904-
(1S,2S,9R,10R)-3,15-DIAZATETRACYCLO[7.7.1.02,7.010...-ME770091--2.029-
(1S,3R)-1-AMINOCYCLOPENTANE-1,3-DICARBOXYLIC ACID-ME770916--13.344-
(1S,3R,4R,5R)-3,4-BIS({[(2E)-3-(3,4-DIHYDROXYPHENY...-ME770144--4.745-
(1S,3R,4S,5R)-1,3,5-TRIHYDROXY-4-{[(2E)-3-(4-HYDRO...-ME770227--7.654-
(1S,3R,5S,8R,9S,10S,13S,14S)-1,10,13-TRIMETHYL-3-O...-ME770828--6.418-
(1S,3R,5S,8R,9S,10S,13S,14S,17S)-1,10,13-TRIMETHYL...-ME769214--0.862-
[(1S)-5-METHYL-1-(4-METHYLPENT-3-ENYL)-2-OXABICYCL...MethanolME769669--1.095-
(1S,5R,13R,17S)-17-HYDROXY-10-METHOXY-4-METHYL-12-...-ME769126--3.777-
[(1S,5R)-9-METHYL-9-AZABICYCLO[3.3.1]NONAN-3-YL]AM...-ME769448--2.491-
(1S,5S)-6,8,9-TRIMETHYL-4-[(E)-PROP-1-ENYL]-3-OXAB...-ME769631--1.014-
(1S,6S,8R)-11,11-DIMETHYL-5-OXA-3LAMBDA6-THIA-4-AZ...-ME769335--2.507-
(1S,6S,8R,11R)-2,6,9-TRIMETHYL-6-METHYLOL-TRICYCLO...-ME769843--1.014-
(1S,8R,10R,15S,22S,29R)-9,30-DIOXA-11,25-DIAZAPENT...-ME769904--1.811-
(1S,8S,13R)-2-OXA-9-AZATETRACYCLO[6.5.1.01,5.09,13...-ME769779--4.075-
1-(TERT-BUTYLAMINO)-3-[(2-METHYL-1H-INDOL-4-YL)OXY...-ME770177--2.482-
1-(TERT-BUTYLAMINO)-3-PHENOXY-PROPAN-2-OL-ME769258--3.649-
1-TETRADECANOYL-2-HEPTADECANOYL-GLYCERO-3-PHOSPHOE...-ME770204--4.07-
(1-TETRAHYDROFURAN-3-YL-4-PIPERIDYL)AMINE-ME770771--2.892-
(1-TETRAHYDROPYRAN-4-YL-4-PIPERIDYL)AMINE-ME769077--3.745-
1-TRIDECANOYL-2-(9Z-HEPTADECENOYL)-GLYCERO-3-PHOSP...-ME770377--3.671-
1-TRIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINELPE 13:0/0:0ME769483--6.236-
(20S)-20-HYDROXYPREGN-4-EN-3-ONE-ME770055--0.903-
2-{1-[(1-{3-[(E)-2-(7-CHLOROQUINOLIN-2-YL)ETHENYL]...-ME770773--1.242-
2-[1-[[2-(METHYLAMINO)PYRIMIDIN-5-YL]METHYL]-3-PIP...-ME770468--3.181-
2-(1,3,5-TRIMETHYLPYRAZOL-4-YL)ETHANOL-ME770772--2.767-
2-(1,3-BENZOXAZOL-2-YLTHIO)ACETIC ACID-ME769771--2.031-
2-[1-[(3-OXO-2-AZASPIRO[4.5]DECAN-2-YL)METHYL]CYCL...-ME770260--2.205-
2-(14-METHYLPENTADECANOYLAMINO)-3-PHENYL-PROPIONIC...-ME770876--7.722-
2-[1-(AMINOMETHYL)CYCLOPENTYL]ACETIC ACID-ME770705--1.453-
2-[(1E)-(HYDROXYIMINO)METHYL]-1-METHYLPYRIDIN-1-IU...-ME770637--1.39-
2-(1H-BENZIMIDAZOL-2-YLTHIO)ETHYL-DIETHYL-AMINE-ME770889--11.059-
2-(1-HYDROXY-1-METHYL-ETHYL)-5-(3-HYDROXY-4,4,10,1...-ME770379--1.017-
2-[(1-HYDROXYETHYLIDENE)AMINO]OCTANOIC ACID-ME770647--6.456-
2-(1-ISOPROPYLINDOL-3-YL)ETHYLAMINE-ME769034--3.555-
2-(1-METHYL-1H-IMIDAZOL-5-YL)ACETIC ACID-ME770835--8.068-
2-[(1-OXO-2-PHENOXYETHYL)AMINO]-3-PHENYLPROPANOIC ...-ME769708--3.693-
2-[2-[13-ACETAMIDO-10,12-DIHYDROXY-3-METHYL-1-(2-M...-ME769215--3.917-
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-OXIDANYLPROPOXY)PROPO...-ME769704--0.913-
2-[2-[2-[2-[2-[2-[2-(2-OXIDANYLPROPOXY)PROPOXY]PRO...-ME770479--1.048-
2-[2-[2-[2-[2-[2-(2-HYDROXYPROPOXY)PROPOXY]PROPOXY...-ME769870--1.044-
2-[2-[2-[2-[2-(2-HYDROXYPROPOXY)PROPOXY]PROPOXY]PR...-ME770140--1.021-
2-[2-[2-[2-(2-HYDROXYPROPOXY)PROPOXY]PROPOXY]PROPO...-ME769031--1.036-
2-[2-[2-(2-LAURYLOXYETHOXY)ETHOXY]ETHOXY]ETHANOL-ME770268--0.965-
2-(2,2,3-TRIMETHYLCYCLOPENT-3-EN-1-YL)ACETALDEHYDE-ME769832--1.269-
2-[[2-[[2-(BENZYLOXYCARBONYLAMINO)ACETYL]AMINO]ACE...-ME769337--4.826-
2-[[2-(2-HYDROXY-3-KETO-2-PENT-2-ENYL-CYCLOPENTYL)...-ME770729--2.194-
2-[2-(2-METHOXYETHOXY)ETHOXY]ETHAN-1-OL-ME770651--1.143-
2,2,2-TRIFLUORO-N-(2-METHYL-5-NITRO-PHENYL)ACETAMI...-ME770168--1.134-
(2-{[2,3-BIS(TETRADECANOYLOXY)PROPYL PHOSPHONO]OXY...-ME769172--3.708-
2-[2-[4-(11-KETOBENZO[B][1,4]BENZOTHIAZEPIN-6-YL)P...-ME769331--4.223-
2,2,4,7-TETRAMETHYL-1H-QUINOLINE-ME769318--1.094-
2-(2,4-DICHLORO-3-METHYL-PHENOXY)-N-PHENYL-PROPION...-ME770503--4.871-
2-[(2,4-DIMETHYLTHIOPHEN-3-YL)(1-METHOXYPROPAN-2-Y...-ME770395--2.206-
2-(2,4-DINITROANILINO)-4-(METHYLTHIO)BUTYRIC ACID-ME770548--15.229-
2-[2-(4-HYDROXYPHENYL)ACETAMIDO]ACETIC ACIDHydroxyphenylacetylglycineME769198--8.688-
2-[2,6-DIHYDROXY-4-METHYL-3-(1-METHYLOLVINYL)-4-VI...-ME770935--6.88-
2-(2,6-DIMETHYLPHENOXY)-N-O-CUMENYL-ACETAMIDE-ME769168--1.15-
2-(2-AMINO-3-METHYLBUTANAMIDO)-3-PHENYLPROPANOIC A...-ME769347--7.744-
2-(2-AMINO-4-NITRO-ANILINO)ETHANOL-ME769869--3.809-
2-[(2-AMINO-6-OXO-6,9-DIHYDRO-3H-PURIN-9-YL)METHOX...ValganciclovirME770271--6.659-
[2-(2-AMINOBENZYL)PHENYL]AMINE-ME769836--2.018-
2-[(2-AMMONIOACETYL)AMINO]HEXANOATE-ME770344--9.333-
2-(2-AMMONIOPROPANOYLAMINO)HEXANOATE-ME770048--8.115-
2-[2-[BIS(2-HYDROXYETHYL)AMINO]-N-(2-HYDROXYETHYL)...-ME770197--4.352-
2,2-BIS(HYDROXYMETHYL)-1-AZABICYCLO[2.2.2]OCTAN-3-...-ME770787--3.966-
2-(2-CHLOROPHENYL)-2-(2-KETO-4,6,7,7A-TETRAHYDROTH...-ME769518--2.134-
2-(2-CHLOROPHENYL)-2-(6,7-DIHYDRO-4H-THIENO[3,2-C]...-ME770578--0.903-
2-(2-CHLOROPHENYL)-2-(METHYLAMINO)CYCLOHEXAN-1-ONEKetamineME770929--2.008-
2,2-DIMETHYLPIPERAZINE-ME770757--11.639-
2-{[(2E)-2-(CYANOMETHYLIDENE)-3-HYDROXY-4,5-DIMETH...-ME769392--5.901-
2-[(2E,5E)-3,7-DIMETHYLOCTA-2,5-DIENYL]-6-HYDROXY-...-ME769453--2.322-
2-[(2E,5E,7E,9R,10R,11E)-10-HYDROXY-3,7,9,11-TETRA...-ME769068--2.589-
2-[(2-ETHYL-6-METHYLPHENYL)(1-METHOXYPROPAN-2-YL)A...-ME769170--2.199-
[2-(2H-TETRAZOL-5-YL)PHENYL]AMINE-ME769381--3.336-
2-({2-HYDROXY-1,4A-DIMETHYL-5-[(3E)-3-METHYL-5-{[3...-ME769954--4.118-
2-(2-HYDROXY-3H-INDOL-3-YL)ACETIC ACID-ME770620--1.914-
2-[2-HYDROXYETHYL-(1-METHYLPYRAZOLO[3,4-D]PYRIMIDI...-ME769531--3.288-
2-(2-ISOPROPYL-5-METHYL-PHENOXY)ACETIC ACID-ME769756--2.189-
2-(2-KETO-1,3-BENZOTHIAZOL-3-YL)-N-PHENYL-ACETAMID...-ME768975--2.079-
2-(2-KETO-4-METHYL-1-QUINOLYL)ACETIC ACID-ME770211--1.357-
2-(2-KETOINDOLIN-3-YL)ACETIC ACID [(2R,3S,4S,5R,6R...-ME770401--5.958-
2-(2-KETOPYRROLIDINO)ACETIC ACID-ME770642--1.264-
2-(2-METHOXYPHENYL)-2-(METHYLAMINO)CYCLOHEXANONE-ME769873--2.393-
2-(2-METHYLIMIDAZOL-1-YL)PROPAN-1-OL-ME770120--3.395-
2-[(2-NITROPHENYL)CARBAMOYL]BENZOIC ACID-ME770426--3.193-
2-(2-PHENYLETHOXY)-6-{[(3,4,5-TRIHYDROXYOXAN-2-YL)...-ME770461--4.836-
(2-{[(2R)-2-[(11Z,14Z)-ICOSA-11,14-DIENOYLOXY]-3-[...-ME769584--3.397-
(2-{[(2R)-2,3-BIS[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-...-ME769698--4.641-
(2-{[(2R)-2,3-BIS[(9Z,12Z,15Z)-OCTADECA-9,12,15-TR...-ME770349--3.531-
(2-{[(2R)-2,3-BIS[(9Z,12Z)-OCTADECA-9,12-DIENOYLOX...-ME769325--3.355-
(2-{[(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL P...-ME770097--3.377-
(2-{[(2R)-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRA...-ME769290--3.402-
(2-{[(2R)-2-(ACETYLOXY)-3-(HEXADECYLOXY)PROPYL PHO...-ME770604--5.28-
(2-{[(2R)-2-(HEXADECANOYLOXY)-3-[(9Z)-OCTADEC-9-EN...-ME770044--3.671-
(2-{[(2R)-2-(HEXADECANOYLOXY)-3-(TETRADECANOYLOXY)...-ME770010--3.663-
(2-{[(2R)-2-HYDROXY-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]P...-ME770872--5.407-
(2-{[(2R)-2-HYDROXY-3-[(8Z,11Z,14Z,17Z)-ICOSA-8,11...-ME770579--5.096-
(2-{[(2R)-2-HYDROXY-3-[(9Z,12Z,15Z)-OCTADECA-9,12,...-ME770879--5.225-
(2-{[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)PROPYL PHOS...-ME770616--5.266-
(2-{[(2R)-2-HYDROXY-3-(PENTADECANOYLOXY)PROPYL PHO...-ME770790--5.7-
(2-{[(2R)-2-HYDROXY-3-(TETRACOSANOYLOXY)PROPYL PHO...-ME770814--5.039-
(2-{[(2R)-3-[(1Z)-HEXADEC-1-EN-1-YLOXY]-2-HYDROXYP...-ME770603--5.094-
(2-{[(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-DOCOSA-7,10,13,1...-ME770505--5.27-
(2-{[(2R)-3-(HEPTADECANOYLOXY)-2-HYDROXYPROPYL PHO...-ME770820--5.356-
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z,12Z)-OCTADECA...-ME769542--3.501-
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z)-OCTADEC-9-EN...-ME770279--3.639-
(22S,25S)-5ALPHA-SPIROSOLAN-3BETA-YL BETA-D-GLUCOP...-ME770005--7.348-
2-(2-THIENYL)-1H-PHENANTHR[9,10-D]IMIDAZOLE-ME769891--2.122-
2,3,14-TRIHYDROXY-10,13-DIMETHYL-17-(1,2,5,6-TETRA...-ME769344--4.14-
2,3,14-TRIHYDROXY-10,13-DIMETHYL-17-(1,3,5-TRIHYDR...-ME769591--4.178-
2-[3-(2-QUINOLINYLMETHOXY)ANILINO]BENZOIC ACID-ME769659--3.028-
2,3,4,5-TETRAHYDRO-1H-2-BENZAZEPINE-ME770811--4.122-
2,3,4,5-TETRAHYDRO-1H-PYRID[4,3-B]INDOLE-ME770038--2.554-
2,3,4,6,7,8-HEXAHYDROPYRROLO[1,2-A]PYRIMIDINE-ME770082--3.379-
2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-7-{[(2S,3R,4S,5S...Luteolin 7-glucosideME770752--1.652-
2-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-5-[(2S,3R,4S,5S,...-ME770216--6.542-
2-(3,4-DIMETHOXYPHENYL)-5,6,7-TRIMETHOXY-4H-CHROME...-ME769653--1.178-
2-(3,4-DIMETHOXYPHENYL)-5-HYDROXY-3,6,7-TRIMETHOXY...-ME770019--1.05-
2-(3,5,5-TRIMETHYLCYCLOHEX-2-EN-1-YLIDENE)MALONONI...-ME769973--2.319-
2-(3,5-DIMETHYLPYRAZOL-1-YL)ACETOHYDRAZIDE-ME769173--5.345-
2,3,5-TRIMETHYLPYRAZINETrimethylpyrazineME770612--3.271-
2,3,7,8,12,13,17,18-OCTAETHYLPORPHYRIN-ME769399--1.115-
2-[(3-AMMONIO-1-OXOPROPYL)AMINO]-4-METHYLPENTANOAT...-ME770416--9.784-
2,3-BIS(2-FURYL)QUINOXALINE-ME769359--1.501-
2,3-BIS(2H-1,3-BENZODIOXOL-5-YLMETHYL)BUTANE-1,4-D...-ME769536--0.968-
2,3-DIETHYLPYRAZINE2,3-DiethylpyrazineME768889--1.431-
2,3-DIHYDROXY-3,4A,8,8-TETRAMETHYL-4-[(1E)-3-OXOBU...-ME769108--1.154-
[2,3-DIHYDROXY-3-(4H-IMIDAZOL-4-YL)PROPYL] DIHYDRO...-ME770085--13.546-
2,3-DIHYDROXYPROPYL (9E)-OCTADEC-9-ENOATE-ME770064--1.786-
2,3-DIHYDROXYPROPYL (Z)-DOCOS-13-ENOATE-ME770476--0.962-
2-(3-FURYL)-7,8-DIHYDROXY-6A,7,10B-TRIMETHYL-2,4A,...-ME769993--1.038-
23-HYDROXYBETULINIC ACID-ME770608--0.936-
2-[3-KETO-2-[(E)-PENT-2-ENYL]CYCLOPENTYL]ACETIC AC...-ME768968--1.26-
2-(3-KETO-6-METHYL-1,4-BENZOXAZIN-4-YL)ACETIC ACID-ME769135--5.515-
2-[3-(LAUROYLAMINO)PROPYL-DIMETHYL-AMMONIO]ACETATE-ME769746--4.373-
2-[(3-METHYLPHENYL)FORMAMIDO]ACETIC ACID3-Methylhippuric acidME770387--4.273-
2-(3-OXIDANYLPROPYL)ISOINDOLE-1,3-DIONE-ME770514--3.734-
2-(3-PYRIDYL)-1-AZABICYCLO[3.2.2]NONANE-ME770256--2.5-
[2-(3-PYRIDYLMETHOXY)PHENYL]AMINE-ME769794--3.227-
2-(3-PYRIDYL)PYRROLIDINE-1-CARBALDEHYDE-ME770582--3.344-
2-(3-PYRIDYL)QUINUCLIDINE-ME770386--3.567-
2-[(3S)-3-PIPERIDYL]ACETIC ACID METHYL ESTER-ME769934--3.67-
2-(3-THIOXO-1,2,4-TRIAZASPIRO[4.7]DODECAN-2-YL)ACE...-ME769100--2.617-
2-[4-(2,5-DIMETHYLPYRROL-1-YL)PHENYL]ACETIC ACID-ME769839--2.258-
{2-[4-(2-BUTYL-1-BENZOFURAN-3-CARBONYL)-2,6-DIIODO...-ME770233--2.254-
2-(4-{2-HYDROXY-3-[(PROPAN-2-YL)AMINO]PROPOXY}PHEN...AtenololME769707--5.432-
2-[4-[(2-PHENOXYACETYL)AMINO]PHENYL]ACETIC ACID-ME770850--5.136-
2-[[4-(3,12-DIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8...-ME770288--4.006-
2-[4-(3,6,7-TRIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,...-ME770948--6.181-
2-[4-(3-AMINO-2-HYDROXYPROPOXY)PHENYL]ACETAMIDE-ME770182--8.341-
2-[[4-(3-METHOXYPROPOXY)-3-METHYL-1-OXIDOPYRIDIN-1...-ME769332--2.196-
2-[[4-(3-METHOXYPROPOXY)-3-METHYL-2-PYRIDYL]METHYL...-ME769617--1.416-
2-[4-[4-(4-BENZHYDRYLOXYPIPERIDIN-1-IUM-1-YL)BUTAN...-ME770307--3.191-
2-[[4-(5-ETHYLPYRIMIDIN-4-YL)PIPERAZINO]METHYL]-6-...-ME769277--2.024-
2,4,6-TRIALLYLOXY-S-TRIAZINE-ME769090--0.906-
2,4,6-TRIMETHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZE...-ME770940--6.136-
2-(4-AMINOPIPERIDINO)ACETAMIDE-ME769568--7.147-
2-(4-AMINOPIPERIDINO)-N-METHYL-ACETAMIDE-ME769736--7.47-
2-(4B,8,8,10A-TETRAMETHYL-2-METHYLENE-1,3,4,4A,5,6...-ME769585--0.927-
2-(4-BENZO[B][1,4]BENZOTHIAZEPIN-6-YLPIPERAZINO)ET...-ME769831--2.683-
2-[(4-CHLOROBENZOYL)AMINO]-3-(1H-INDOL-3-YL)PROPIO...-ME770777--7.914-
2-[(4-CHLOROPHENOXY)METHYL]-5,6-DIMETHYL-1H-BENZIM...-ME769083--2.346-
2-[(4-CHLOROPHENOXY)METHYL]-6-METHYL-1H-BENZIMIDAZ...-ME769145--1.822-
2-(4-CUMYLPHENOXY)ACETOHYDRAZIDE-ME770521--6.248-
2-[4-(CYANOMETHYL)PIPERAZINO]ACETONITRILE-ME769390--6.036-
2-[4-(DIFLUOROMETHOXY)ANILINO]BENZOIC ACID-ME770190--1.202-
2-[4-(DIMETHYLAMINO)BENZOYL]BENZOIC ACID-ME769580--2.268-
2,4-DIMETHYLNICOTINIC ACID-ME770336--1.884-
(24E)-STIGMASTA-5,24(28)-DIEN-3BETA-OL-ME769855--0.93-
2-(4-HYDROXY-3-METHOXYPHENYL)-6-[(E)-2-(4-HYDROXY-...-ME769512--1.001-
2-(4-HYDROXYPHENYL)-6-[(E)-2-(4-HYDROXYPHENYL)VINY...-ME770333--1.106-
2-(4-HYDROXYPHENYL)ETHYL (1S,4AR,7AR)-1-[(2S,3R,4S...-ME769582--5.894-
2-[(4-METHOXY-3,5-DIMETHYL-2-PYRIDYL)METHYLTHIO]-3...-ME769928--1.334-
2-[4-(METHYLAMINO)PHENYL]ACETIC ACID-ME769795--2.062-
2-[[4-OXIDANYL-1,1-BIS(OXIDANYLIDENE)THIOLAN-3-YL]...-ME770110--11.519-
2-(4-PHENYLPIPERAZINE-1-CARBONYL)BENZOIC ACID-ME769199--2.159-
2-(4-PYRIDYL)ACETIC ACID-ME770750--8.775-
2-[[(4R)-4-[(3R)-3,7-DIHYDROXY-10,13-DIMETHYL-2,3,...-ME768863--4.946-
2-[[(4R)-4-[(3R,5S,7S,10S,13R,17R)-3,7-DIHYDROXY-1...-ME768885--4.363-
2-[5-[2-[2-[5-(2-HYDROXYBUTYL)TETRAHYDROFURAN-2-YL...-ME769573--1.098-
2-[5-[(3Z,6Z)-2,12-DIHYDROXYDODECA-3,6-DIENYL]TETR...-ME769912--1.318-
2,5,7,8-TETRAMETHYL-2-[(3E,7E)-4,8,12-TRIMETHYLTRI...-ME770062--0.977-
2,5,7-TRIMETHYL-4-QUINOLONE-ME770027--2.228-
2,5,8,11-TETRAOXATRIDECAN-13-OL-ME770943--1.306-
[2,5-BIS(OXIDANYLIDENE)PYRROLIDIN-1-YL] 5-[(3AS,4S...Valeric acidME770393--2.862-
2,5-DIAMINOPENTANOIC ACID-ME768857--14.079-
2,5-DIMETHYL-3-PYRAZOLIN-3-ONE-ME769570--1.512-
2,5-DIMETHYLPYRIMIDIN-4-AMINE-ME770186--3.668-
25-HYDROXY-CHOLESTEROL25-HydroxycholesterolME770625--5.941-
25-HYDROXYVITAMIN D325-Hydroxyvitamin D3ME769569--1.313-
2-(5-KETO-1-PROPYL-PYRROLIDIN-2-YL)ACETIC ACID-ME769842--1.841-
[2-(5-KETOPHENOTHIAZIN-10-YL)-1-METHYL-ETHYL]-DIME...-ME769871--2.563-
2-(5-METHYLPYRAZOL-1-YL)PROPIONIC ACID-ME769155--2.575-
(25R)-CHOLEST-5-ENE-3BETA,7ALPHA,26-TRIOL-ME770803--7.67-
(25S)-3-OXOCHOLEST-7-EN-26-OIC ACID-ME770104--1.615-
[2-[(5Z,8Z,11Z,14Z,17Z)-EICOSA-5,8,11,14,17-PENTAE...-ME769609--3.409-
2-[6-[(4-HYDROXY-3-METHYL-BUT-2-ENYL)AMINO]PURIN-9...-ME770580--7.327-
2-(6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-1-Y...-ME770143--4.21-
2,6-DIAMINO-4-(PIPERIDIN-1-YL)PYRIMIDIN-1-IUM-1-OL...-ME770938--3.762-
2,6-DIAMINO-N-[2-[(2-AMINO-2-KETO-ETHYL)AMINO]-1-(...-ME769234--11.638-
2,6-DIMETHYL-4-QUINOLONE-ME770695--2.538-
2,6-DIMETHYLISONICOTINIC ACID-ME769554--2.845-
2,6-DIMETHYLPYRAZINE2,6-DimethylpyrazineME769419--2.941-
2-[[(6-METHOXY-1H-BENZIMIDAZOL-2-YL)THIO]METHYL]-3...-ME769684--1.765-
2-(7-HYDROXY-6-METHYL-OCTYL)-2H-FURAN-5-ONE-ME768992--0.961-
2,8-DIAZASPIRO[5.5]UNDECANE-1,7-QUINONE-ME770715--1.533-
2,8-DIISOBUTYL-5-METHYL-1-OXA-4,7,10-TRIAZACYCLOTE...-ME769983--2.437-
2-[[(9~{Z},12~{Z})-OCTADECA-9,12-DIENOYL]AMINO]ACE...-ME770365--1.419-
2-ACETAMIDO-2-DEOXY-ALPHA-D-GALACTOPYRANOSYL-(1-&g...-ME769450--11.405-
2-ACETAMIDO-3-(4-HYDROXY-3-METHOXYPHENYL)PROPANOIC...N-AcetylvanilalanineME770159--6.186-
2-ACETAMIDO-3-MERCAPTO-3-METHYL-BUTYRIC ACID-ME770707--8.426-
2-ACETAMIDO-3-METHYL-BUTYRIC ACID (3-KETO-6,6,9A-T...-ME769464--2.003-
2-ACETAMIDO-3-O-[(1R)-1-CARBOXYETHYL]-2-DEOXY-ALPH...-ME769732--9.149-
2-(ACETYLAMMONIO)-4-METHYL-VALERATE-ME770292--7.012-
2-(ALLYLAMINO)-N-PHENYL-2-THIOXO-ACETAMIDE-ME768976--2.569-
(2-AMINO-1,1-DIMETHYL-ETHYL)AMINE-ME770743--13.335-
2-AMINO-1-(2,5-DIMETHOXYPHENYL)ETHAN-1-OL-ME770201--4.666-
2-AMINO-1-CYANO-5,6,7,8-TETRAHYDROINDOLIZINE-3-CAR...-ME770509--7.017-
2-AMINO-2-(2-CHLOROPHENYL)ACETIC ACID-ME769658--7.671-
2-AMINO-2-CYCLOPENTYL-ACETIC ACID-ME770892--5.95-
2-AMINO-2-CYCLOPROPYL-ACETIC ACID-ME770515--5.623-
2-AMINO-2-DEOXY-D-MANNOSE2-Amino-2-deoxy-D-mannoseME768884--11.901-
2-AMINO-2-(HYDROXYMETHYL)PROPANE-1,3-DIOL-ME769643--9.41-
2-AMINO-2-METHYL-4-PHENYL-BUTYRIC ACID-ME769892--5.345-
2-AMINO-2-METHYL-GLUTARIC ACID-ME770775--8.34-
2-AMINO-2-METHYLPROPANE-1,3-DIOL-ME770185--7.619-
2-AMINO-3,1-BENZOTHIAZIN-4-ONE-ME769370--2.299-
2-AMINO-3-(1H-IMIDAZOL-5-YL)PROPAN-1-OL-ME770458--9.101-
2-AMINO-3-(1H-INDOL-3-YL)PROPANOIC ACID-ME768933--7.839-
2-AMINO-3-(1H-INDOL-3-YL)PROPIONIC ACID METHYL EST...-ME769586--3.54-
2-AMINO-3-(2-HYDROXYPHENYL)PROPANOIC ACIDo-TyrosineME770275--8.351-
2-AMINO-3-(3,4-DIHYDROXYPHENYL)PROPANOIC ACID-ME770887--5.841-
2-AMINO-3-[4-(CARBOXYMETHYL)PHENYL]PROPIONIC ACID-ME770687--7.423-
2-AMINO-3-[4-HYDROXY-3-(3-METHYLBUT-2-ENYL)PHENYL]...-ME770832--3.918-
(2-AMINO-3,6-DIMETHYL-PHENYL)AMINE-ME770061--3.199-
2-AMINO-3-CYCLOBUTYL-PROPIONIC ACID-ME770818--4.51-
2-AMINO-3-CYCLOPENTYL-PROPIONIC ACID-ME770662--6.104-
2-AMINO-3-HYDROXY-3-(4-METHOXYPHENYL)PROPIONIC ACI...-ME770915--1.386-
2-AMINO-3-METHYLBUTANOIC ACID-ME768905--8.707-
2-AMINO-3-PHENYL-PROPIONIC ACID METHYL ESTER-ME770860--2.25-
2-AMINO-4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID-ME768963--7.946-
2-AMINO-4-(3,4-DIMETHOXYPHENYL)-5-KETO-7,7-DIMETHY...-ME769751--2.705-
(2-AMINO-4-NITRO-PHENYL)-METHYL-AMINE-ME769731--3.761-
2-AMINO-4-TERT-BUTYL-PHENOL-ME770037--2.715-
2-AMINO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CA...-ME770906--9.273-
2-AMINO-5-METHYL-HEXANOIC ACID-ME769301--7.074-
2-AMINO-5-OXOHEXANOIC ACID-ME769624--10.502-
2-AMINO-6-(1-AMINOETHYLIDENEAMINO)HEXANOIC ACID-ME770742--13.263-
2-AMINO-6-UREIDO-HEXANOIC ACID-ME768959--12.164-
2-AMINO-9-[(1S,3R,4S)-4-HYDROXY-3-(HYDROXYMETHYL)-...-ME769935--4.343-
2-AMINO-9-[(2R,3R,4S,5R)-3-HYDROXY-5-(HYDROXYMETHY...3'-O-MethylguanosineME770188--5.422-
2-AMINO-9-[(2S,5S)-3,4-DIHYDROXY-5-METHYLOL-TETRAH...-ME769833--8.45-
(2-AMINOETHOXY)[(2R)-2,3-BIS[(9Z)-HEXADEC-9-ENOYLO...-ME769888--3.711-
(2-AMINOETHOXY)[(2R)-2,3-BIS(TETRADECANOYLOXY)PROP...-ME769787--4.157-
(2-AMINOETHOXY)[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIE...-ME770367--3.597-
(2-AMINOETHOXY)[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIE...-ME769929--3.713-
(2-AMINOETHOXY)[(2R)-2-[(9Z)-HEXADEC-9-ENOYLOXY]-3...-ME769219--3.875-
(2-AMINOETHOXY)[(2R)-2-[(9Z)-HEXADEC-9-ENOYLOXY]-3...-ME770391--4.083-
(2-AMINOETHOXY)[(2R)-2-[(9Z)-OCTADEC-9-ENOYLOXY]-3...-ME768987--3.975-
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-[(11Z)-ICOS-11-EN...-ME769522--5.822-
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-E...-ME769922--5.9-
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(ICOSANOYLOXY)PRO...-ME769408--5.771-
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)...-ME769070--5.883-
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(PENTADECANOYLOXY...-ME769288--6.026-
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(TETRADECANOYLOXY...-ME770040--6.174-
(2-AMINOETHOXY)[(2R)-3-[(9Z)-HEXADEC-9-ENOYLOXY]-2...-ME769256--5.843-
(2-AMINOETHOXY)[(2R)-3-[(9Z)-OCTADEC-9-ENOYLOXY]-2...-ME769349--3.938-
(2-AMINOETHOXY)[(2R)-3-(HEPTADECANOYLOXY)-2-HYDROX...-ME770054--5.961-
(2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-HYDROXY...-ME770417--5.921-
2-AMINOETHYL-[2-[2-[2-(2-AMINOETHYLAMINO)ETHYLAMIN...-ME769676--11.944-
2-AMINOETHYL [(2R)-2-HYDROXY-3-[(9Z,12Z)-OCTADECA-...-ME770543--5.741-
2-AMINOHEPTANEDIOIC ACID-ME769561--10.737-
2-AMINO-N-CYCLOHEXYL-ETHANESULFONAMIDE-ME769947--4.406-
2-AMINO-N-ETHYL-4-METHYL-VALERAMIDE-ME769828--5.881-
2-AMINONICOTINIC ACID2-Aminonicotinic acidME770672--1.575-
2-AMMONIOETHYL 2,3-DI(HEXADECANOYLOXY)PROPYL PHOSP...-ME770094--4.048-
2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-4-YL)PROPANOAT...-ME769124--10.554-
2-AZANYL-4-(2-METHYLBUTAN-2-YL)PHENOL-ME769030--2.366-
2-AZASPIRO[4.5]DECAN-3-ONE-ME769516--1.163-
2-BENZOYLOXYETHYL(TRIMETHYL)AMMONIUM-ME769438--2.593-
2-BENZYLMALONIC ACID DIETHYL ESTER-ME769470--1.017-
(2-BENZYLPHENYL)AMINE-ME769269--2.253-
2-[BIS(2-HYDROXYETHYL)AMINO]ACETIC ACID-ME770566--9.924-
2-BROMOETHYL(TRIPHENYL)PHOSPHONIUM-ME769437--1.879-
2-BROMO-N-(P-TOLYL)PROPIONAMIDE-ME770127--1.355-
[2-(BUTANOYLOXY)ETHYL]TRIMETHYLAZANIUMButyrylcholineME770931--2.322-
2-CHLORO-1-(3,4-DIHYDRO-2H-QUINOLIN-1-YL)ETHANONE-ME769202--2.074-
2-CHLOROBENZHYDROL-ME770640--2.491-
2-(CHLOROMETHYL)-3-METHYL-4-(2,2,2-TRIFLUOROETHOXY...-ME768991--1.921-
2-CHLORO-N-(1-CYANOCYCLOHEPTYL)ACETAMIDE-ME770540--5.799-
2-CHLORO-N-{[(6-IMINO-2-METHYL-1,6-DIHYDROPYRIMIDI...-ME770848--2.377-
2-CHLORO-N,N-DIMETHYL-NICOTINAMIDE-ME770779--3.074-
2-CHLORO-N-P-PHENETYL-PROPIONAMIDE-ME769106--1.844-
(2-CHLOROPHENYL)(6,7-DIHYDROTHIENO[3,2-C]PYRIDIN-5...-ME769226--5.231-
2-CYCLOHEXYL-N-PHENETHYL-ACETAMIDE-ME769075--2.08-
2-CYCLOPROPYLACETIC ACID-ME770676--9.107-
2-DEC-9-ENYLGLUTARIC ACID-ME769118--0.967-
2-(DIFLUOROMETHOXY)-4-PYRIDONE-ME770236--2.409-
2-(DIMETHYLAMINO)-7H-HYPOXANTHINE-ME770329--3.298-
2-(DIMETHYLAMINO)ETHANESULFONIC ACID-ME769162--8.036-
2-(DIMETHYLAMMONIO)-3-METHYL-BUTYRATE-ME768858--6.458-
(2E,10E)-11-(1,3-BENZODIOXOL-5-YL)-1-PIPERIDINO-UN...-ME769167--0.939-
(2E)-1-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)BUT-2-EN...-ME769082--0.931-
(2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-METHOXYPHENYL...-ME769555--1.222-
(2E)-3-(4-HYDROXY-3-METHOXYPHENYL)-N-[2-(1H-INDOL-...-ME770699--4.637-
(2E)-3-(4-HYDROXY-3-METHOXYPHENYL)-N-[2-(4-HYDROXY...-ME769807--1.255-
(2E)-3-(4-HYDROXYPHENYL)-N-(4-{[(2E)-3-(4-HYDROXYP...-ME770753--6.284-
(2E)-3-[(4S,7R,7AR)-3,7-DIMETHYL-2,4,5,6,7,7A-HEXA...-ME770558--6.889-
(2E,4E,10E)-11-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERI...-ME769064--0.925-
(2E,4E,10Z)-N-ISOBUTYLHEXADECA-2,4,10-TRIENAMIDE-ME769955--0.882-
(2E,4E,14Z)-N-(2-METHYLPROPYL)ICOSA-2,4,14-TRIENAM...-ME769366--0.881-
(2E,4E,6E)-11-(1,3-BENZODIOXOL-5-YL)-N-ISOBUTYL-UN...-ME769498--0.907-
(2E,4E,6E,8E)-10-{[(3R,4S,5S,6R)-5-METHOXY-4-[(2R,...-ME769789--0.862-
(2~{E},4~{E},6~{R})-7-[4-(DIMETHYLAMINO)PHENYL]-7-...-ME770051--0.904-
(2E,4E,8E)-9-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDI...DehydropipernonalineME769581--0.943-
(2E,4E,9Z,12Z)-1-PIPERIDINOOCTADECA-2,4,9,12-TETRA...-ME770440--0.897-
(2E,5E)-3,5,7-TRIMETHYLOCTA-2,5-DIENEDIOIC ACID-ME770880--4.313-
(2E,6E,10E)-13-[(2R)-6-HYDROXY-2,8-DIMETHYL-CHROMA...-ME769965--0.882-
(2E,6E,10Z)-12-HYDROXY-6-METHYL-10-METHYLOL-2-(4-M...-ME769391--0.968-
[2-[(E)-BUT-2-ENOYL]OXY-3-CETYLOXY-PROPYL] 2-(TRIM...-ME770821--5.237-
(2E)-N-[2-(4-METHOXYPHENYL)ETHYL]-3-PHENYLPROP-2-E...-ME770526--7.681-
2-ETHOXY-4-[({1-[2-(3-HYDROXYPIPERIDIN-1-YL)PHENYL...-ME770735--3.304-
2-[ETHYL-(3-METHYLPHENYL)AMINO]ETHANOL-ME770674--2.853-
2-ETHYL-3-METHYLPYRAZINE-ME769662--2.489-
2-FLUORO-4-PYRIDONE-ME769123--3.034-
2-FORMAMIDO-3-(1H-INDOL-3-YL)PROPIONIC ACID-ME770032--6.654-
2-(HEXADECANOYLOXY)-3-HYDROXYPROPYL (9Z)-OCTADEC-9...-ME770549--6.242-
2-HYDROXY-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-HYDRO...-ME769216--0.964-
2-HYDROXY-2-ISOPROPYL-3-METHOXY-BUTYRIC ACID (7-HY...-ME769971--4.924-
2-HYDROXY-2-METHYL-BUTYRIC ACID2-Hydroxy-2-methyl-butyric acidME770702--9.518-
2-HYDROXY-3-(1H-INDOL-3-YL)BUTYRIC ACID-ME769815--2.856-
[2-HYDROXY-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-P...-ME770817--5.381-
[2-HYDROXY-3-[(E)-OCTADEC-9-ENOYL]OXY-PROPYL] 2-(T...-ME770912--5.098-
{2-[HYDROXY(4-OXOCYCLOHEXA-2,5-DIEN-1-YLIDENE)METH...-ME769066--3.404-
2-HYDROXY-6-[(Z)-NONADEC-8-ENYL]BENZOIC ACID-ME769502--1.974-
2-HYDROXYADENINE2-HydroxyadenineME770551--6.629-
2-HYDROXYESTRADIOL2-HydroxyestradiolME769237--1.114-
2-HYDROXYFLUORENE2-HydroxyfluoreneME770937--2.713-
2-(HYDROXYMETHYL)-2-(METHOXYMETHYL)-1-AZABICYCLO[2...-ME769079--4.903-
2-IMIDAZO[1,2-A]PYRIDIN-2-YL-N-PHENYL-ACETAMIDE-ME770730--4.161-
2-INDOL-1-YLACETAMIDE-ME770631--1.029-
2-ISOBUTYLMALONIC ACID DIMETHYL ESTER-ME770571--6.264-
2-(ISOVALERYLAMINO)-3-METHYL-BUTYRIC ACID-ME769850--4.32-
2-METHOXY-3,5-DIMETHYLPYRAZINE-ME770517--8.686-
2-METHOXY-4-[(1E)-PROP-1-EN-1-YL]PHENYL ACETATE-ME770630--6.792-
2-METHOXY-6-METHYL-5,6,6A,7-TETRAHYDRO-4H-DIBENZO[...-ME770419--2.584-
2-METHYL-2-[[1-[3-[4-(4-PHENYLBENZOYL)-2-PROPYLPHE...-ME769567--1.329-
2-METHYL-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE-ME770218--2.967-
2-METHYL-3-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-ME...-ME770918--7.086-
(2-METHYL-3,4-DIHYDRO-1H-ISOQUINOLIN-5-YL)AMINE-ME769872--3.836-
2-METHYL-3-PROPYLPYRAZINE-ME770296--1.93-
2-METHYL-4-(METHYLAMINO)PHENOL-ME770437--1.514-
2-METHYL-5-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE-ME770116--3.562-
2-(METHYLAMINO)BENZOIC ACID2-(Methylamino)benzoic acidME770285--1.44-
(2-METHYLBENZIMIDAZOL-1-YL)AMINE-ME769679--3.209-
2-METHYLNICOTINIC ACID-ME769436--2.353-
2-METHYLOL-6-[[3,4,5-TRIHYDROXY-6-(19-HYDROXY-4',7...-ME770572--1.094-
2-METHYLPROPIONIC ACID [(Z)-4-[(4-AMINO-2-METHYL-P...-ME769180--3.676-
2-METHYLPYRIDIN-3-OL-ME769032--1.444-
2-METHYLPYRROLIDINE2-Methyl pyrrolidineME770788--5.528-
2-MORPHOLINOBENZALDEHYDE-ME770584--4.015-
[2-(M-TOLYL)-1,3-BENZOXAZOL-5-YL]AMINE-ME769514--1.696-
2-[N-[2-(ACETYLOXYMETHOXY)-2-OXOETHYL]-2-[2-[2-[BI...-ME770384--3.574-
2-OCT-7-ENYLGLUTARIC ACID-ME770221--1.213-
2'-O-METHYLADENOSINE2'-O-MethyladenosineME770565--5.012-
2-PHENYLACETIC ACID [(1'R,2R,3'Z,5'R,7'S,11'S,12'R...-ME770075--1.068-
(2-PHENYLPHENYL)METHANAMINE-ME770381--2.286-
2-PIPERAZINOETHYL(2-PYRIDYLMETHYL)AMINE-ME769623--5.296-
2-PIPERAZINONICOTINAMIDE-ME770060--5.747-
2-PIPERIDINOPROPAN-2-OL-ME770905--5.769-
(2-PYRAZOL-1-YLBENZYL)AMINE-ME770087--4.415-
2-PYRROL-1-YLBENZOHYDRAZIDE-ME770946--7.916-
2-PYRROLIDINO-1-(2-THIENYL)BUTAN-1-ONE-ME769791--3.514-
2-PYRROLIDINO-1-(2-THIENYL)PENTAN-1-ONE-ME769848--3.122-
2-(PYRROLIDINOMETHYL)-1H-BENZIMIDAZOLE-ME769529--3.197-
(2R)-1-(2-HYDROXYETHYL)-2,5,5,8A-TETRAMETHYL-DECAL...-ME769002--0.976-
(2R)-1-(6-AMINO-9H-PURIN-9-YL)PROPAN-2-OL-ME770704--6.152-
(2R)-1-(HEXADECANOYLOXY)-3-HYDROXYPROPAN-2-YL (9Z)...-ME770370--1.156-
(2R)-2-[(1S,2R)-1,2-DIHYDROXYPENTYL]-4-METHOXY-2,3...-ME770389--2.093-
(2R)-2-[[(2S)-2-AMINO-5-GUANIDINO-PENTANOYL]AMINO]...-ME770891--12.559-
(2R)-2-[[(2S)-2-AMINOPROPANOYL]AMINO]-3-PHENYL-PRO...-ME768924--8.961-
(2R)-2-[[(2S)-2-AMMONIOPROPANOYL]AMINO]-3-(4-HYDRO...-ME769017--10.344-
(2R)-2-[[(2S)-2-AZANYL-3-METHYL-BUTANOYL]AMINO]PEN...-ME770169--11.682-
(2R)-2-(3-ACETAMIDOPROPANAMIDO)-3-(1H-IMIDAZOL-5-Y...-ME768864--11.567-
[(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY][2-(...-ME770312--3.383-
[(2R)-2,3-BIS(HEXADECANOYLOXY)PROPOXY][2-(DIMETHYL...-ME770093--3.488-
[(2R)-2,3-BIS(HEXADECANOYLOXY)PROPOXY][2-(METHYLAM...-ME769969--4.768-
(2R)-2-ACETAMIDOHEXANOIC ACID-ME770639--6.804-
[(2R)-2-ACETYLSULFANYL-3-HEXADECOXYPROPYL] 2-(TRIM...-ME770928--14.132-
(2R)-2-AMINO-3-[(5-ACETAMIDO-2-HYDROXYPHENYL)SULFA...-ME769656--9.432-
(2R)-2-AMINOBUTANEDIOIC ACIDD-Aspartic acidME768869--13.824-
[(2R)-2-(METHYLCARBAMOYLOXY)-3-OCTOXY-PROPYL] 2-(T...-ME769864--5.283-
(2R,2'S,3'R,4'AS,6'R,8'AS)-2',3',4-TRIHYDROXY-1',1...-ME770800--4.368-
[(2~{R})-3-CETYLOXY-2-ETHOXY-PROPYL] 2-(TRIMETHYLA...-ME770691--5.387-
[(2R)-3-HEXADECOXY-2-METHOXYPROPYL] 2-(TRIMETHYLAZ...-ME770806--5.413-
(2R)-3-HYDROXYPROPANE-1,2-DIYL (9Z,12Z,15Z,9'Z,12'...-ME769991--1.255-
(2R)-3-HYDROXYPROPANE-1,2-DIYL DIHEXADECANOATE-ME769524--1.29-
(2R)-3-MERCAPTO-2-[[(2S)-PROLYL]AMINO]PROPIONIC AC...-ME769460--9.121-
(2R,3R,4R,5R)-2,3,5,6-TETRAHYDROXY-4-[(2R,3R,4S,5S...-ME769244--12.078-
[(2R,3R,4R,5R,6R)-3-AMMONIO-4,5-DIHYDROXY-6-METHYL...Phosphoric acidME770392--12.03-
(2R,3R,4R,5R,6S)-2-[(4S,6R,7S,8R,9S,13R,14R,16R)-1...-ME769964--3.193-
(2R,3R,4R,5S)-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TR...-ME770700--10.025-
(2R,3R,4R,5S)-6-(METHYLAMINO)HEXANE-1,2,3,4,5-PENT...-ME768914--11.741-
(2R,3R,4S)-2-ADENIN-9-YL-5-METHYLENE-2-METHYLOL-TE...-ME770846--1.74-
(2R,3R,4S,5R,6R)-2-[[7-[(2R,3R,4R,5S)-3,4-DIHYDROX...-ME770681--1.29-
(2R,3R,4S,5S,6R)-2-[(2R,3R)-4-(4-HYDROXY-3-METHOXY...-ME770069--8.244-
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,...-ME770696--11.017-
(2R,3R,4S,5S,6R)-2-[3-(2-HYDROXYETHYL)-4-METHYLOL-...-ME769688--5.337-
(2R,3R,4S,5S,6R)-2-[3-HYDROXY-2-(4-HYDROXY-3-METHO...-ME770004--6.98-
(2R,3R,4S,5S,6R)-2-[(3-HYDROXY-2,6,6-TRIMETHYL-CYC...-ME770299--4.566-
(2R,3R)-5-[(1E,3E)-HEPTA-1,3-DIENYL]-2,3-DIHYDROXY...-ME769735--1.015-
[(2R,3R,5R)-5-ADENIN-9-YL-4-HYDROXY-2-METHYLOL-TET...-ME770690--3.852-
(2R,3R,5S)-2-(6-AMINO-9H-PURIN-9-YL)-5-(HYDROXYMET...-ME770737--3.266-
(2R,3S,4S,5R,6S)-2-(HYDROXYMETHYL)-6-{[(2R,3S,4R,5...-ME769379--13.084-
(2R,3S,4S,5S,6R)-2-[7-HYDROXY-4-[(Z)-5-HYDROXY-3-M...-ME769523--2.207-
2R,5,8-TRIMETHYL-2-[(3E,7E)-4,8,12-TRIMETHYLTRIDEC...-ME769289--0.901-
(2R)-5-AZANYL-2-[[(2S)-2-AZANYL-3-METHYL-BUTANOYL]...-ME770908--11.778-
(2R)-6-ACETAMIDO-2-AMINO-HEXANOIC ACID-ME769259--10.61-
(2R)-[(6-O-BETA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRAN...-ME770338--9.024-
(2R)-7,13-DIAZATETRACYCLO[7.7.1.02,7.013,17]HEPTAD...-ME768973--2.402-
(2R,7R,8R,9R,10S,20S)-7,8,9,19-TETRAHYDROXY-2,6,10...-ME769507--4.641-
(2S)-1-[(2S)-2-AMINO-3-CARBOXYPROPANOYL]PYRROLIDIN...-ME770836--13.195-
(2S)-1-[(2S)-2-AMINO-3-PHENYLPROPANOYL]PYRROLIDINE...-ME770248--5.416-
(2S)-1-[(2S)-2-AMINO-4-CARBAMOYLBUTANOYL]PYRROLIDI...-ME770722--11.948-
(2S)-1-[(2S)-2-AMINO-4-CARBOXYBUTANOYL]PYRROLIDINE...-ME770363--9.083-
(2S)-1-[6-AZANYL-2-[[(2S)-1-OXIDANYL-1-OXIDANYLIDE...-ME770791--11.813-
(2S)-1-[(9Z)-HEXADEC-9-ENOYLOXY]-3-HYDROXYPROPAN-2...-ME769084--0.876-
(2S)-1-(HEXADECANOYLOXY)-3-HYDROXYPROPAN-2-YL (9Z,...-ME770153--0.886-
(2S)-1-HYDROXY-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOX...-ME769889--1.253-
(2S)-1-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPAN-2...-ME769102--0.89-
(2S)-1-HYDROXY-3-(OCTADECANOYLOXY)PROPAN-2-YL (9Z,...-ME769005--1.028-
(2S)-2-(2-AZANIUMYLACETAMIDO)-3-PHENYLPROPANOATE-ME769517--9.281-
(2S)-2-[[(2R)-2-AZANYL-3-METHYL-BUTANOYL]AMINO]-3-...-ME769695--7.229-
(2S)-2-[[(2R,3R)-2-AMINO-3-HYDROXY-BUTANOYL]AMINO]...-ME769492--8.836-
(2S)-2-[[(2R,3S)-2-AZANYL-3-METHYL-PENTANOYL]AMINO...-ME769134--6.509-
(2S)-2-[[(2R,3S)-2-AZANYL-3-METHYL-PENTANOYL]AMINO...-ME769754--8.035-
(2S)-2-[[(2R,3S)-2-AZANYL-3-METHYL-PENTANOYL]AMINO...-ME770264--6.113-
(2S)-2-[[(2R)-5-KETOPROLYL]AMINO]-3-METHYL-BUTYRIC...-ME770553--11.343-
(2S)-2-[[(2S)-2-AMINO-3-(1H-INDOL-3-YL)PROPANOYL]A...-ME769137--7.101-
(2S)-2-[(2S)-2-AMINO-4-CARBAMOYLBUTANAMIDO]-3-(4-H...-ME769599--11.664-
(2S)-2-[(2S)-2-AMINO-4-CARBAMOYLBUTANAMIDO]-3-METH...-ME770709--10.75-
(2S)-2-[(2S)-2-AMINO-4-CARBAMOYLBUTANAMIDO]-5-CARB...-ME769849--13.287-
(2S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-4-METHYL...-ME770361--10.262-
(2S)-2-{[(2S)-2-AZANIUMYL-3-PHENYLPROPANOYL]AMINO}...-ME769716--8.021-
(2S)-2-[[(2S,3S)-2-AMINO-3-METHYL-PENTANOYL]AMINO]...-ME770675--10.683-
(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3,4-DIH...-ME770808--1.116-
(2S)-2-[(3S)-3-(4-AZANYLBUTYL)-1,4-BIS(OXIDANYLIDE...-ME769319--7.124-
(2S)-2,6-DIAMINO-5-[(3R,4S,5R,6R)-3,4,5-TRIHYDROXY...-ME769868--15.248-
(2S)-2,6-DIAMINO-N-[(2S)-1-PHENYLPROPAN-2-YL]HEXAN...-ME770855--7.049-
(2S)-2-ACETAMIDO-3-(1H-INDOL-3-YL)PROPANAMIDE-ME769434--2.752-
(2S)-2-AMINO-2-(1-NAPHTHYL)PROPIONIC ACID-ME769824--5.427-
(2S)-2-AMINO-2-ETHYL-GLUTARIC ACID-ME769943--10.797-
(2S)-2-AMINO-3-(4-HYDROXYPHENYL)PROPIONIC ACID TER...-ME769235--4.382-
(2S)-2-AMINO-4-{[(1S)-1-CARBOXY-3-(METHYLSULFANYL)...-ME770041--12.251-
(2S)-2-AMINO-5-(1-AMINOBUT-3-ENYLIDENEAMINO)VALERI...-ME770688--12.4-
(2S)-2-AMINO-6-(DIMETHYLAMINO)HEXANOIC ACID-ME770909--13.199-
(2S)-2-AMMONIO-3-(4-TERT-BUTOXYPHENYL)PROPIONATE-ME770098--6.587-
(2S)-2-(CARBAMOYLAMINO)-3-PHENYLPROPANOIC ACID-ME770627--1.776-
(2S)-2-HYDROXY-3-METHYL-N-[(1S)-1-{[(1S)-3-METHYL-...-ME769893--2.161-
(2S)-2-(METHYLAMMONIO)HEXANOATE-ME769309--9.063-
(2S)-2-(N-(2-METHOXYACETYL)-2,6-DIMETHYL-ANILINO)P...-ME770462--4.84-
(2S)-2-(P-TOLYL)CHROMAN-4-ONE-ME770596--3.086-
(2S,3AR,7AS)-1-[(2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPR...-ME770484--1.664-
(2S,3R)-2-AMINO-3-HYDROXY-BUTYRAMIDE-ME769926--9.399-
(2S,3R)-2-AMINO-4-HYDROXY-3-METHYL-VALERIC ACID-ME770746--8.674-
(2S,3R)-2-AMMONIO-3-TERT-BUTOXY-BUTYRATE-ME770723--10.799-
(2S,3R)-3-HYDROXY-2-(METHYLAMINO)BUTYRIC ACID-ME769156--9.506-
(2S,3R,4E)-1,3-DIHYDROXYHEXADEC-4-EN-2-AMINIUM-ME769131--4.026-
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-DIHYDROXY...-ME770949--2.852-
(2S,3R,4S,4AR,6AR,8AS,12AS,13S,14AR,14BR)-13-(CHLO...-ME769211--4.135-
(2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-4,5-DIHYDROXY-6-...-ME769166--5.648-
(2S,3R,4S,5S)-4-AZANYL-2-[6-(DIMETHYLAMINO)PURIN-9...-ME770805--1.518-
(2S,3R,4S,5S,6R)-2-[2-METHOXY-4-[(2S,3R,4R)-3-METH...-ME769614--3.501-
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4A...-ME770276--3.618-
(2S,3R)-5-KETO-4-METHYLENE-2-OCTYL-TETRAHYDROFURAN...-ME770194--0.93-
(2S,3S)-2-[(2S)-2-AMINO-4-CARBAMOYLBUTANAMIDO]-3-M...-ME770314--12.166-
(2S,3S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-3-MET...-ME770816--10.418-
(2S,3S,4AS)-2,3,7-TRIHYDROXY-9-METHOXY-4A-METHYL-3...-ME769729--1.182-
(2S,3S,4R)-2-(HEXADECANOYLAMINO)-3,4-DIHYDROXYOCTA...-ME768993--5.176-
(2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-{[(2R,3...-ME769887--12.809-
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[3-[(2S)-5-KET...-ME770907--1.997-
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[[(3R,5R,8R,9R...-ME769530--4.728-
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[[(3S,5S,8R,9S...-ME770202--2.962-
(2S,3S,4S,5R,6R)-6-[[4-CARBOXY-8A-[(2S,3R,4S,5S,6R...-ME770587--1.162-
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-[2-HYDROXY-4-(...-ME770525--1.168-
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-[4-(7-HYDROXY-...Daidzein 4'-glucuronideME770494--1.049-
(2S,3S,4S,5R,6S)-6-[2-[1-[[[(1R)-1-[3-[(E)-2-(7-CH...-ME770823--0.989-
(2S,3S,4S,5R,6S)-6-[(2-CYCLOHEXYL-6-KETO-4-METHYL-...-ME770043--4.654-
(2S,3S,4S,5R,6S)-6-[2-ETHOXY-4-[2-KETO-2-[[(1S)-3-...-ME769455--4.613-
(2S,3S,4S,5R,6S)-6-[[(4R,4AS,7AR,12BS)-4A-HYDROXY-...-ME770621--4.333-
(2S,3S,4S,5R,6S)-6-[(7-CHLORO-2-KETO-1-METHYL-5-PH...-ME770666--7.323-
(2S,3S)-5-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-2-(4-...-ME769822--2.875-
(2S,4AR,6R,7R,7AS)-6-(6-AMINO-9H-PURIN-9-YL)-7-HYD...-ME770815--3.331-
(2S)-4-CARBAMOYL-2-ACETAMIDOBUTANOIC ACID-ME768902--9.223-
(2S,4R)-N-[(1S,2S)-2-CHLORO-1-[(2R,3R,4S,5R,6R)-3,...-ME769589--5.504-
(2S,4S)-4-CYCLOHEXYLPROLINE-ME770904--3.48-
(2S,4S,5R,6R)-5-ACETAMIDO-2-{[(2R,3R,4S,5R,6S)-6-{...-ME770039--14.364-
(2S,4S,5R,6R)-5-ACETAMIDO-2-[(2S,3R,4S,5S,6R)-2-[(...-ME770013--14.242-
(2S,4S,5S,6R)-6-METHYLTETRAHYDROPYRAN-2,4,5-TRIOL-ME769283--2.98-
(2S)-5-GUANIDINO-2-(METHYLAMINO)VALERIC ACID-ME769812--13.423-
(2S)-6-AMINO-2-[(2S)-2-(2-AMINOACETAMIDO)-3-(1H-IM...-ME769761--12.932-
(2S,6S,10S,15S,20S,23R)-6,10,23-TRIMETHYL-4-AZAHEX...-ME769499--4.308-
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-6-METHYLOL-...-ME769033--6.602-
(2S)-N-[(2S,4S,5S)-5-[2-(2,6-DIMETHYLPHENOXY)ACETA...LopinavirME769605--2.872-
2-SULFANYLBENZOIC ACID-ME769780--2.819-
(2-TERT-BUTYLPHENYL)AMINE-ME768990--1.205-
[3-(1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]AMINE-ME769647--2.158-
3-(1,3-BENZODIOXOL-5-YL)-1-PIPERIDINO-PROPAN-1-ONE-ME770298--0.917-
3-[18-(3-KETO-3-METHOXY-PROPYL)-3,7,12,17-TETRAMET...-ME769667--1.304-
3-[(1E,3E)-3,5-DIMETHYLHEPTA-1,3-DIENYL]-5,6-DIHYD...-ME769825--2.469-
3-(1H-INDOL-3-YL)-2-(TRIMETHYLAMMONIO)PROPIONATE-ME769024--6.666-
3-(1-HYDROXY-5-METHYL-HEXYL)-5-METHYLOL-TETRAHYDRO...-ME769253--1.114-
3-(1-METHYL-2-PIPERIDYL)PYRIDINE-ME770253--2.698-
3-(1-NAPHTHYL)-2-THIOXO-4-IMIDAZOLIDINONE-ME769600--1.025-
3-(2,3-DIKETOINDOLIN-1-YL)PROPIONIC ACID-ME768977--3.77-
3-[(2,4-DIHYDROXY-3,3-DIMETHYL-BUTANOYL)AMINO]PROP...-ME768886--3.241-
3-(2,5-DIMETHYLPYRROL-1-YL)-2-METHYL-BENZOIC ACID-ME769626--2.3-
3-(2,5-DIMETHYLPYRROL-1-YL)-4-HYDROXY-BENZOIC ACID-ME770851--4.62-
3-(2,6-DIMETHYLMORPHOLINO)-N-PHENYL-PROPIONAMIDE-ME769280--3.918-
3-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-2-[(9Z...-ME769293--3.977-
3-[2-(DIMETHYLAMINO)ETHYL]-1H-INDOL-4-OL-ME770102--4.201-
3-(2-METHYLPYRAZOL-3-YL)PROPIONIC ACID-ME770512--5.248-
[3-(2-PHENOXYETHOXY)PHENYL]AMINE-ME770532--3.971-
3-(2-PYRIDYL)PROPAN-1-OL-ME769326--3.3-
3-[(2S)-6-HYDROXY-2,5,7,8-TETRAMETHYL-CHROMAN-2-YL...-ME769055--1.06-
3-[[(2S)-AZETIDIN-2-YL]METHOXY]PYRIDINE-ME770320--5.3-
3-[(2Z)-2-[[3-(2-CARBOXYETHYL)-5-[[(2S)-3-ETHYL-4-...-ME769587--3.504-
3-(3,5-DIMETHYLPYRAZOL-1-YL)PROPYLAMINE-ME768996--3.219-
3-(3-CARBOXYPROPANOYLAMINO)-4-METHYL-BENZOIC ACID-ME769962--4.489-
3,3-DIETHYL-1H-PYRIDINE-2,4-DIONE-ME769821--1.887-
3,3'-DISULFANEDIYLBIS(2-AMMONIOPROPANOATE)CystineME768907--14.834-
3-(3-KETO-2-METHYL-2,5,6,7,8,8A-HEXAHYDRO-1H-NAPHT...-ME770113--1.054-
3-(3-NITROPHENYL)-5-PHENETHYL-1,2,4-OXADIAZOLE-ME770933--4.124-
3-{3-OXO-2H,3H-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-2-YL}...-ME769273--2.078-
3-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]-...-ME769412--3.803-
3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO[1,2-A]PYRIMIDINE-ME769322--3.143-
3-(4-AMINO-1-OXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)PIPE...-ME769363--3.225-
3-(4-AMINOPHENYL)-4-METHYL-1H-1,2,4-TRIAZOLE-5-THI...-ME769350--1.131-
3,4-DIMETHOXYPHENOL-ME770095--1.259-
3-(4-HYDROXY-3-METHOXY-PHENYL)-7-(3,4,5-TRIHYDROXY...-ME770796--1.219-
3-(4-HYDROXYANILINO)-5,5-DIMETHYL-CYCLOHEX-2-EN-1-...-ME770402--1.187-
3-(4-HYDROXYBENZYL)-2,3,6,7,8,8A-HEXAHYDROPYRROLO[...-ME769675--2.147-
3-(4-NITROPHENYL)PROPANOIC ACID-ME770238--2.769-
3-(4-PHENYL-1-PIPERAZINYL)PROPANE-1,2-DIOL-ME769908--3.016-
3-(4-PIPERIDYL)PROPIONIC ACID ETHYL ESTER-ME770311--3.131-
3-(5-{[(3Z)-2-HYDROXY-3H-INDOL-3-YLIDENE]METHYL}-2...-ME769792--1.153-
3,5,5-TRIMETHYL-4-[[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDR...-ME769306--4.114-
3-(5,6-DIHYDROXYHEPTYL)-4-METHYL-2H-FURAN-5-ONE-ME769435--0.944-
3-(5-CARBETHOXY-2,4-DIMETHYL-1H-PYRROL-3-YL)PROPIO...-ME769205--2.524-
3,5-DIAMINO-4-METHYL-BENZOIC ACID-ME770670--2.408-
3',5-DIHYDROXY-4',6,7-TRIMETHOXYFLAVONEEupatorinME769607--1.039-
3,5-DIMETHYL 2,6-DIMETHYL-4-(2-NITROPHENYL)PYRIDIN...-ME770166--1.152-
3-(5-ISOBUTYL-3,6-DIKETO-PIPERAZIN-2-YL)PROPIONIC ...-ME770535--10.324-
3,5-LUTIDINE-ME770606--3.289-
3-(5-METHOXY-1H-INDOL-3-YL)PROPANOIC ACID-ME770448--2.285-
3,6,9,12,15-PENTAOXATRICOSAN-1-OL-ME769720--1.589-
3,6-DIMETHYL-1-PROPYL-PYRAZOLO[3,4-B]PYRIDINE-4-CA...-ME769016--2.045-
(3,6-DIMETHYLPYRIDAZIN-4-YL)AMINE-ME770420--2.186-
3,7,11,15-TETRAMETHYLPALMITIC ACID [(2R)-3-[2-AMIN...-ME770325--4.926-
(3-{8,8-DIPROPYL-2-AZASPIRO[4.5]DECAN-2-YL}PROPYL)...-ME770077--3.496-
3,8A-DIMETHYL-5-METHYLENE-4A,6,7,8-TETRAHYDRO-4H-B...-ME770469--1.852-
3,9-DIMETHOXYPTEROCARPAN-ME770857--4.563-
3-(9H-PYRIDO[3,4-B]INDOL-1-YL)PROPANOIC ACID-ME769191--2.515-
3-ADENIN-9-YLPROPAN-1-OL-ME769101--3.83-
3-ADENIN-9-YLPROPANE-1,2-DIOL-ME769376--5.268-
3ALPHA,17ALPHA-DIHYDROXY-5BETA-PREGNAN-20-ONE-ME769654--0.959-
3ALPHA-HYDROXY-7-OXO-5BETA-CHOLAN-24-OIC ACID-ME769271--1.848-
3-AMINO-2-METHYL-N-THIAZOL-2-YL-BENZAMIDE-ME769096--1.716-
3-AMINO-3-(4-PYRIDYL)PROPIONIC ACID-ME769407--7.556-
3-AMINO-4-(4-HYDROXYPHENYL)BUTYRIC ACID-ME770865--3.856-
3-AMINO-4-HYDROXY-N-METHYL-BENZENESULFONAMIDE-ME770719--1.579-
3-AMINO-4-METHOXY-N,N-DIMETHYL-BENZENESULFONAMIDE-ME769642--2.319-
3-AMINO-4-METHYLPENTANOIC ACID-ME769355--5.914-
3-AMINO-5,6-DIMETHYL-PYRAZINOIC ACID-ME770764--1.856-
(3-AMINO-5-METHYL-PHENYL)AMINE-ME770698--3.505-
3-AMINOBENZOTHIOPHENE-2-CARBOXYLIC ACID METHYL EST...-ME770853--9.227-
3-AMINO-N-(3-AMINOPHENYL)BENZAMIDE-ME770740--1.822-
3-AMINOPIPERIDINE-1-CARBOXYLIC ACID ALLYL ESTER-ME770397--5.385-
(3AR,5AS,9AS,9BR)-3A,6,6,9A-TETRAMETHYL-1,4,5,5A,7...-ME769486--0.972-
(3AR,5S,5AS,8R,8AS,9AR)-8-HYDROXY-5,8A-DIMETHYL-1-...-ME770047--0.983-
(3AS,4R,6AR)-2,3,3A,4,5,6A-HEXAHYDROFURO[2,3-B]FUR...-ME769997--2.967-
(3AS,4S,4AR,5S,7S,7AS,8R,9AS)-4-HYDROXY-4A,8-DIMET...-ME769939--0.991-
(3AS,5AS,9BR)-5A,9-DIMETHYL-3-METHYLENE-3A,4,6,7,8...-ME769194--1.01-
(3AS,8AR)-1,3A,8-TRIMETHYL-1,2,3,3A,8,8A-HEXAHYDRO...-ME769422--2.344-
(3BETA,12BETA)-12,20-DIHYDROXYDAMMAR-24-EN-3-YL 2-...-ME770802--0.952-
(3BETA,6ALPHA,12BETA)-3,12,20-TRIHYDROXYDAMMAR-24-...-ME768999--3.513-
3B-HYDROXY-5-CHOLENOIC ACID3beta-Hydroxy-5-cholenoic acidME769416--0.991-
3-CARBETHOXY-4-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID-ME770187--1.519-
(3-CARBOXYPROPYL)TRIMETHYLAZANIUM-ME770646--2.883-
3-CYCLOHEXYL-1-O-PHENETYL-ISOTHIOUREA-ME769206--3.619-
(3E,11Z,13E)-6-HYDROXY-16-METHYL-1-OXACYCLOHEXADEC...-ME770619--3.89-
3-[(E)-2-NITROPROP-1-ENYL]-1H-INDOLE-ME769113--1.032-
3-[(E)-3,4-DIHYDROXY-3,5-DIMETHYL-HEPT-1-ENYL]-7,8...-ME770452--1.283-
(3E,5R,6E,8S,9E,13S,14R)-5-HYDROXY-8-METHOXY-5,9,1...-ME769143--1.072-
3-ETHYL-2,8-DIMETHYL-4-QUINOLONE-ME769098--2.113-
3-ETHYLPIPERAZIN-2-ONE-ME769065--7.15-
3-GUANIDINOPROPANOIC ACID3-Guanidinopropanoic acidME769612--9.334-
3-HEXADEC-15-EN-7-YNYL-4-HYDROXY-5-METHYL-TETRAHYD...-ME769147--0.939-
[3-HEXADECOXY-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-T...-ME769267--3.505-
3-HYDROXY-1-METHYL-2,3,5,6-TETRAHYDRO-1H-INDOLE-5,...AdrenochromeME770036--2.233-
[3-HYDROXY-2-[(6Z,9Z,12Z)-OCTADECA-6,9,12-TRIENOYL...-ME769563--1.256-
[3-HYDROXY-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-P...-ME770694--5.858-
3-HYDROXY-4-[(3E,5E,7E,9E,11E,13E,15E)-18-{4-HYDRO...-ME770088--0.925-
3-HYDROXY-5-KETO-5-METHOXY-3-METHYL-VALERIC ACID-ME770167--3.812-
3-HYDROXY-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CAR...-ME770776--7.048-
3-HYDROXY-L-PROLINEcis-3-HydroxyprolineME770506--10.289-
3-HYDROXYPROPANE-1,2-DIYL (9Z)BIS-OCTADEC-9-ENOATE-ME768997--0.9-
3-HYDROXYPYRIDINE3-HydroxypyridineME769371--5.023-
3-IMIDAZOL-1-YLPROPIONIC ACID-ME770224--4.144-
3-IODO-4-PROPARGYLOXY-BENZALDEHYDE-ME769881--0.926-
3-KETO-3-(P-TOLYL)PROPIONIC ACID ETHYL ESTER-ME770575--9.125-
3-KETOCHOLESTEROL3-KetocholesterolME769342--0.894-
(3-METHOXY-4-PYRROLIDINO-PHENYL)AMINE-ME770415--1.595-
3-METHOXYPROPYL(7H-PURIN-6-YL)AMINE-ME769132--3.467-
3-METHYL-4-(METHYLAMINO)PHENOL-ME769110--1.933-
3-METHYL-4-PHENYLBUTAN-2-ONE-ME770369--1.68-
(3-METHYL-4-PYRIDYL)AMINE-ME770203--2.749-
(3-METHYL-4-PYRROLIDINO-PHENYL)AMINE-ME769459--2.141-
3-METHYL-7-PROPYL-XANTHINE-ME769714--1.588-
3-METHYLCYCLOPENTADECAN-1-ONE-ME769013--0.956-
3-METHYLDIOXYINDOLE3-MethyldioxyindoleME770300--1.482-
3-METHYLHISTIDINE3-MethylhistidineME768897--13.461-
3-METHYL-N-(6-METHYL-2-PYRIDYL)BENZAMIDE-ME769009--1.993-
3-METHYLOXOLAN-2-ONE-ME769946--1-
3-METHYLXANTHINE3-MethylxanthineME768887--2.786-
3-(M-TOLUIDINO)PROPIONITRILE-ME770230--2.42-
3-(N-METHYLANILINO)-2H-FURAN-5-ONE-ME770783--3.97-
3-OXIDANYL-N-[(3S)-2-OXIDANYLIDENEOXOLAN-3-YL]OCTA...-ME770302--2.58-
3-OXOOCTADECANOIC ACID-ME770930--5.87-
(3-PHENETHOXYPHENYL)AMINE-ME769037--1.905-
3-PHENETHYL-1-(2-PYRIDYL)ISOTHIOUREA-ME769387--3.573-
3-PHENYL-3-[(2-PHENYLACETYL)AMINO]PROPIONIC ACID-ME770173--2.694-
3-PHENYL-3-(2-PYRIDYL)PROPIONIC ACID-ME770337--0.914-
3-(PIPERIDIN-2-YL)PYRIDINE-ME769753--4.061-
3-PIPERIDYL(PYRROLIDINO)METHANONE-ME769019--4.118-
3-(PROPANOYLOXY)-4-(TRIMETHYLAZANIUMYL)BUTANOATECAR 3:0ME768946--6.545-
3-(PYRROLIDIN-2-YL)PYRIDINE-ME769769--3.236-
(3R)-3-[(2-METHYLBUTANOYL)OXY]-4-(TRIMETHYLAZANIUM...-ME769479--4.817-
(3R)-3-[(2-METHYLPROPANOYL)OXY]-4-(TRIMETHYLAZANIU...-ME769671--5.371-
(3R)-3-(3-HYDROXY-3-METHYL-BUTANOYL)OXY-4-(TRIMETH...-ME770615--8.119-
(3R)-3-[(3-HYDROXYBUTANOYL)OXY]-4-(TRIMETHYLAZANIU...-ME770142--6.912-
(3R)-3-(3-HYDROXYHEXADECANOYLOXY)-4-(TRIMETHYLAMMO...-ME770319--3.42-
(3R)-3-[(5Z,8Z,11Z,14Z)-EICOSA-5,8,11,14-TETRAENOY...-ME769995--3.717-
(3R)-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-4-(TRIM...-ME769722--4.012-
(3R)-3-(ACETYLOXY)-4-(TRIMETHYLAZANIUMYL)BUTANOATE-ME770786--7.884-
(3R,3AS,6AR)-1,2,3,3A,4,5,6,6A-OCTAHYDROCYCLOPENTA...-ME770679--7.786-
(3R)-3-[(Z)-3-HYDROXYOCTADEC-9-ENOYL]OXY-4-(TRIMET...-ME770362--3.122-
(3R,4R)-3-HYDROXY-3,4-DIVANILLYL-TETRAHYDROFURAN-2...-ME770443--1.278-
(3R,4R,4AR,6AR,6BS,8AR,12AR,14BR)-3-HYDROXY-4,6A,6...-ME769146--0.91-
(3R,4R,5S,6R)-3-AMINO-6-(HYDROXYMETHYL)OXANE-2,4,5...-ME768915--12.074-
(3R,4S,5R,6R)-2-[(E,2S,3R)-2-AMINO-3-HYDROXY-OCTAD...-ME769413--5.855-
(3R,4S,5S,6S)-6-CARBOXY-N-[2-(DIPHENYLMETHOXY)ETHY...-ME770733--7.028-
(3R,5R)-3,5-DIHYDROXY-7-[2-ISOPROPYL-4,5-DIPHENYL-...-ME770115--2.429-
(3R,5R,6S,7S,9R,11E,13S,14R)-6-[(3R,4S,6R)-4-(DIME...-ME770845--7.053-
(3R,5R,8R,9S,10S,13S,14S,17S)-10,13,17-TRIMETHYL-1...-ME769945--1.058-
(3R,5R,8S,9S,10S,13S,14S,17R)-17-[(1R)-1,2-DIHYDRO...-ME770658--9.298-
(3R,5R,8S,9S,10S,13S,14S,17S)-3-HYDROXY-17-(2-HYDR...-ME770348--1.339-
(3R,5S,6E)-7-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL)QUIN...-ME770206--1.321-
(3R,5S,8R,9R,10S,13S,14S,17S)-17-ETHYL-13-METHYL-2...-ME769380--1.192-
(3R,7S,8R,9S,10S,13S,14S,17S)-7,10,13,17-TETRAMETH...-ME770473--0.922-
(3S,10S,13R,14R,17R)-17-(1,5-DIMETHYLHEXYL)-10,13-...-ME770863--5.828-
(3S,10S,13R,14R,17R)-17-[(1R)-1,5-DIMETHYLHEX-4-EN...-ME770523--6.822-
(3S)-3-[(1S,4R)-4-METHYL-1-(2-METHYLPROPANOYL)-3-O...-ME770442--1.304-
(3S)-3,7-DIAMINOHEPTANOIC ACID-ME770758--8.491-
(3S)-3-AMINO-3-{[(1S)-1-CARBOXY-2-PHENYLETHYL]CARB...-ME770423--11.572-
(3S,4R)-3-(CARBOXYMETHYL)-4-(PROP-1-EN-2-YL)-L-PRO...-ME770214--6.982-
(3S,4R,5R)-1,3,4,5-TETRAHYDROXY-6-[(2S,3R,4S,5S,6R...-ME770023--11.675-
(3S,4R,5R)-1,4,5,6-TETRAHYDROXY-3-{[(2R,3R,4S,5S,6...TuranoseME768940--11.585-
(3S)-5-[(1S,8AR)-4-KETO-2,5,5,8A-TETRAMETHYL-4A,6,...-ME769534--0.911-
(3S,5R)-3-OXIDANYL-5-PYRIDIN-3-YL-PYRROLIDIN-2-ONE-ME769314--2.694-
(3S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-DIMETHY...-ME770812--7.649-
(3S,5R,8S,9S,10S,13S,14S,17R)-17-GLYCOLOYL-3,17-DI...-ME770119--1.11-
(3S,5R)-PIPERIDINE-3,4,5-TRIOL-ME770792--10.071-
(3S,5S,7R,9S,10R,13R,14S,16S,19S,27S)-19-HYDROXY-5...-ME770736--4.409-
(3S,5S,8R,9S,10S,13S,14S)-3-HYDROXY-10,13-DIMETHYL...-ME770411--0.883-
(3S,5Z)-5-[(2Z)-2-[(7AR)-7A-METHYL-1-(6-METHYL-6-O...-ME769358--1.251-
(3S,6S,9S,15S,18S)-3,9-DIISOBUTYL-6-ISOPROPYL-15-M...-ME769001--5.132-
(3S,8R,9S,10R,13S,14S,17R)-10,13-DIMETHYL-17-[(1S)...-ME770308--0.996-
(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,5S)-6-HYDROXY-1...-ME770569--6.411-
(3S,8S,9S,10R,13S,14S,17S)-10,13-DIMETHYL-17-[(2S)...-ME770072--1.332-
3-SUCCINIMIDOBENZOIC ACID-ME769076--3.742-
3-SUCCINOYLPYRIDINE3-SuccinoylpyridineME770643--1.311-
3-[(Z)-2-(1-METHYLPYRIDIN-1-IUM-4-YL)VINYL]-1H-IND...-ME770006--3.5-
(3Z)-3-[[5-(1,1-DIMETHYLALLYL)-1H-IMIDAZOL-4-YL]ME...-ME770046--1.777-
(3Z)-HEX-3-EN-1-YL (2E)-2-METHYLBUT-2-ENOATE-ME770653--9.164-
4-[1-CYCLOHEXYL-2-(PIPERIDIN-2-YL)ETHYL]CYCLOHEXAN...-ME769274--3.372-
4-[(1E)-3-HYDROXYPROP-1-EN-1-YL]-2,6-DIMETHOXYPHEN...Sinapyl alcoholME769696--1.016-
4-(1H-INDOL-3-YL)-1-MORPHOLINO-BUTAN-1-ONE-ME770372--1.009-
4-[1-HYDROXY-2-(METHYLAMINO)ETHYL]-2-METHOXYPHENOL-ME769566--5.16-
4-{1-HYDROXY-2-[(PROPAN-2-YL)AMINO]ETHYL}BENZENE-1...-ME770657--8.219-
4-[(1R,2S)-2-AMINO-1-HYDROXYPROPYL]BENZENE-1,2-DIO...LevonordefrinME769341--6.217-
4-[2-[[1-[2-(4-CARBOXYBUTYLAMINO)PHENYL]-3-METHYLB...-ME770454--2.228-
4-[2-[(1R,4AS,5R,8AS)-5-(HYDROXYMETHYL)-5,8A-DIMET...-ME770878--11.021-
4-[2-[(1R,4AS,5R,8AS)-6-HYDROXY-5,8A-DIMETHYL-2-ME...-ME769388--1.076-
4-[2-[(1R,5R,8AS)-5,8A-DIMETHYL-2-METHYLENE-5-[[(2...-ME770374--2.463-
4-[2-[(2-ETHYL-2,3-DIHYDROXY-BUTANOYL)OXYMETHYL]AN...-ME770847--3.648-
4-(2,5-DIMETHYLPHENYL)-4-KETO-BUTYRIC ACID-ME770347--1.237-
4-(2-AMINO-1-HYDROXYETHYL)PHENOLOctopamineME769950--7.37-
4-[(2-CARBOXYETHYL)AMINO]BUTANOIC ACIDN-Carboxyethyl-gamma-aminobutyric acidME770819--11.191-
[4-(2-CYCLOHEXYLETHOXY)PHENYL]AMINE-ME769633--1.244-
4-[[2-[(E)-3-HYDROXYBUT-1-ENYL]-5-KETO-TETRAHYDROF...-ME770804--5.142-
4-(2-FURYL)-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE-3,5-D...-ME770731--4.273-
4-[2-HYDROXY-2,6,6-TRIMETHYL-4-[(2R,3R,4S,5S,6R)-3...-ME769857--3.963-
{4-[2-HYDROXY-3-(PROPAN-2-YLAMINO)PROPOXY]PHENYL}A...-ME769909--5.542-
4-(2-HYDROXYPROPAN-2-YL)-1-METHYLCYCLOHEXAN-1-OL-ME769996--1.015-
4-(2-KETOOXAZOLIDIN-3-YL)BENZAMIDE-ME769519--3.334-
4-(2-METHYL-1H-IMIDAZOL-1-YL)-2,2-DIPHENYLBUTANAMI...-ME770103--2.606-
4-(2-PHENOXYETHOXY)ANILINE-ME770483--4.417-
4-[(2S,3R,4R,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TE...-ME770739--9.112-
4-[2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL]-2-(HYDROXYM...AlbuterolME768917--5.406-
4-(3,14-DIHYDROXY-10,13-DIMETHYL-HEXADECAHYDRO-CYC...-ME770354--1.591-
4-[3-[2-(DIMETHYLAMINO)-2-OXOETHYL]-6-METHYL-2-IMI...-ME770559--2.942-
[4-(3,5-DIMETHYLPYRAZOL-1-YL)PHENYL]AMINE-ME769094--1.748-
4-(3-BROMO-4-HYDROXY-5-METHOXY-PHENYL)-5-KETO-2-ME...-ME769535--1.851-
4-(3-CHLORO-4-FLUORO-ANILINO)-6-(3-MORPHOLINOPROPO...-ME770614--6.271-
4-[3-HEXYL-2,5-DIKETO-4-(2-KETO-2-METHOXY-ETHYL)-3...-ME769863--1.54-
4-(3-HEXYL-2,5-DIKETO-4-METHYL-3-PYRROLIN-1-YL)BUT...-ME769189--1.654-
4-(3-HYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,14,15,...-ME769284--1.319-
4-(3-METHOXY-4-NITRO-PHENYL)MORPHOLINE-ME770394--1.642-
[4-[4-(4-METHYLPIPERAZINO)PIPERIDINO]PHENYL]AMINE-ME769749--2.498-
4-{[4-(ACETYLOXY)PHENYL](PYRIDIN-2-YL)METHYL}PHENY...-ME769601--0.92-
[4-(4-AMINO-3,5-DIMETHYL-PHENYL)-2,6-DIMETHYL-PHEN...-ME770129--1.333-
4-(4-AMINOPHENYL)MORPHOLIN-3-ONE-ME769713--3.63-
4-[(4-BUTYL-3,5-DIOXO-1,2-DIPHENYLPYRAZOLIDIN-4-YL...-ME769846--1.981-
4-[[4-(DIETHYLAMINO)BENZYLIDENE]AMINO]BENZOIC ACID-ME769674--2.196-
4-(4-METHYLPIPERAZINO)BUTYRIC ACID-ME769042--4.899-
4-(4-METHYLPIPERAZINO)BUTYRIC ACID ETHYL ESTER-ME769876--3.899-
4-(4-PIPERIDYL)-1-PYRROLIDINOSULFONYL-PIPERIDINE-ME770408--2.67-
4-(4-PROPAN-2-YL-1-PIPERAZINYL)PHENOL-ME769103--2.965-
4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLIC ACID E...-ME769409--2.431-
4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLIC ACID E...-ME769878--1.444-
4,5,6-TRIMETHYL-2-SULFANYL-PYRIDINE-3-CARBONITRILE-ME769896--1.678-
4,5,7-TRIMETHYL-1,4,6,7-TETRAHYDROPYRROLO[3,2-C]PY...-ME770287--2.395-
4-[6-(4-HYDROXYPHENYL)-1,2,4,5-TETRAZIN-3-YL]PHENO...-ME769197--1.563-
4,6-CHOLESTADIENONE4,6-CholestadienoneME770316--0.902-
4,9A-DIMETHYL-6,7-DIMETHYLOL-2,7,8,9-TETRAHYDRO-1H...-ME769249--0.956-
4-(9H-BETA-CARBOLIN-1-YLMETHYL)-2-[(2S,3R,4S,5S,6R...-ME770235--3.108-
4-ACETAMIDOBUTANOIC ACID4-Acetamidobutanoic acidME768951--1.942-
4-ACETAMIDO-N-(4-NITROPHENYL)BUTYRAMIDE-ME769052--2.273-
4-ACETAMIDOPHENYL 2-(DIETHYLAMINO)ACETATE-ME769972--4.393-
4-(ACETOACETYLAMINO)BENZOIC ACID ETHYL ESTER-ME770251--1.985-
4-ACETOXY-8-[3-KETO-2-[(E)-PENT-2-ENYL]CYCLOPENTEN...-ME769980--1.279-
4-(ALLYLAMINO)BENZOIC ACID-ME769577--1.286-
4-AMINO-1-[(2R,3R,4R,5R)-3-FLUORO-4-HYDROXY-3-METH...-ME769819--4.443-
4-AMINO-1-[(2S,4S,5R)-4-HYDROXY-5-METHYLOL-TETRAHY...-ME768912--5.283-
4-AMINO-1-METHYL-1,2-DIHYDROPYRIMIDIN-2-ONE-ME769458--4.177-
4-AMINO-1-METHYL-3-N-PROPYL-1H-PYRAZOLE-5-CARBOXAM...-ME769924--3.968-
4-AMINO-1-METHYL-CHROMENO[3,4-C]PYRIDIN-5-ONE-ME770868--6.741-
4-AMINO-2-ISOPROPYL-5-METHYL-PHENOL-ME770012--2.202-
4-AMINO-2-METHYL-BENZAMIDE-ME769511--2.482-
4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE4-Amino-5-hydroxymethyl-2-methylpyrimidineME770229--5.461-
[4-AMINO-6-[(3,5-DIMETHYLPIPERIDINO)METHYL]-S-TRIA...-ME770301--3.816-
[4-AMINO-6-(CHLOROMETHYL)-S-TRIAZIN-2-YL]-(2,4-DIM...-ME769149--2.619-
4-AMINOBUTYL-(2-NITROPHENYL)AMINE-ME769660--4.642-
4-AMINOBUTYRIC ACID ETHYL ESTER-ME769700--7.672-
[4-(AMINOMETHYL)PHENYL]METHANOLMethanolME770881--8.207-
4-AMINO-N-(2,4-DIFLUOROPHENYL)BENZENESULFONAMIDE-ME769694--1.283-
4-AMINO-N-METHYL-N-PHENYL-BENZENESULFONAMIDE-ME769163--2.342-
4-AMINOPIPERIDINE-1-CARBOXYLIC ACID ALLYL ESTER-ME770322--4.552-
4-AMINOPIPERIDINE-1-CARBOXYLIC ACID ETHYL ESTER-ME769368--5.243-
4-AMINOPYRIMIDINE-5-CARBONITRILE-ME770635--4.409-
(4AR,5R,6AS,6BR,10S,12AR)-10-[(2R,3R,4R,5S,6R)-3-A...-ME770444--5.404-
(4AR,5R,6AS,6BR,8AR,10S,12AR,14BS)-10-[(2R,3R,4R,5...-ME770481--4.239-
(4AS,6AS,6BR,10S,12AR,14BS)-10-[(2R,3R,4R,5S,6R)-3...-ME770545--11.449-
(4AS,6AS,6BR,9R,10S,12AR,14BS)-10-HYDROXY-12-KETO-...-ME769144--1.324-
(4AS,7AS)-6-METHYL-1,2,3,4,4A,5,7,7A-OCTAHYDROPYRR...-ME768984--2.267-
(4AS,7R)-7-ISOPROPENYL-1,4A-DIMETHYL-5,6,7,8-TETRA...-ME770373--1.071-
(4-AZANYLPIPERIDIN-1-YL)-CYCLOPROPYL-METHANONE-ME769339--5.927-
[4-(AZEPAN-1-YL)PHENYL]AMINE-ME770002--1.869-
4-BROMOPIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER-ME769078--1.732-
(4BS,6S)-6-METHOXY-1,4,6,7,9,10,12,13-OCTAHYDRO-3H...-ME769014--2.654-
4-BUTYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ...-ME770109--2.438-
[4-(CARBAMIMIDOYLSULFANYL)BUTYL]DIMETHYLAMINE-ME770146--4.132-
(4-CHLORO-5,6-DIMETHYL-PYRIMIDIN-2-YL)AMINE-ME770795--7.585-
4-[(CYCLOHEXYLCARBAMOYL)AMINO]BUTANOIC ACID-ME770277--2.958-
4-(CYCLOPENTOXY)-3-METHOXY-BENZALDEHYDE-ME770165--0.904-
4-DECYLPYRIDINE-ME770382--1.849-
(4E,6E)-3-(4-FORMYLANILINO)-8-HYDROXY-OCTA-4,6-DIE...-ME770552--4.244-
(4E)-9-(1,1-DIMETHYLALLYL)-4-[[5-(1,1-DIMETHYLALLY...-ME770398--1.775-
4-ETHOXYANILINE-ME770624--3.874-
(4-ETHYLBENZYL)-METHYL-AMINE-ME770638--6.425-
(4-FLUORO-4-PIPERIDYL)METHANOL-ME769431--5.259-
4-FLUORO-N-P-PHENETYL-BENZENESULFONAMIDE-ME770217--1.26-
(4-FLUOROTETRAHYDROPYRAN-4-YL)METHYLAMINE-ME769829--4.948-
4-GUANIDINOBUTANOIC ACID4-Guanidinobutanoic acidME770123--10.278-
4-HYDROXY-2,6-DIMETHYL-BENZALDEHYDE-ME770910--3.762-
4-HYDROXY-3-[2-(1H-IMIDAZOL-5-YL)ETHYL]-4,5,5-TRIM...-ME769184--1.984-
4-HYDROXY-3-METHOXY-BENZOIC ACID [(Z)-2-CYANO-4-[(...-ME770184--6.584-
4-HYDROXY-5-[2-[(E)-3-HYDROXYPROP-1-ENYL]-4-METHYL...-ME769317--1.811-
4-HYDROXYBENZOIC ACID 2-MORPHOLINOETHYL ESTER-ME769006--3.363-
4-HYDROXYQUINOLIN-2(1H)-ONE-ME770592--6.275-
4-ISOPROPYL-N-(4-MORPHOLINOPHENYL)BENZAMIDE-ME769923--1.029-
4-KETO-1H-PYRIDINE-3-CARBOXYLIC ACID-ME770524--1.528-
4-KETO-1H-QUINOLINE-2-CARBOXYLIC ACID ETHYL ESTER-ME770827--6.294-
4-KETO-4-[3-METHYL-5-(5,6,7-TRIHYDROXY-1,2,4A,5-TE...-ME770550--1.044-
4-KETO-5,8-DIMETHYL-1H-QUINOLINE-3-CARBOXYLIC ACID-ME769240--1.977-
4-KETO-6-METHYL-1H-PYRIDINE-3-CARBOXYLIC ACID-ME769025--1.947-
4-KETOPIMELIC ACID-ME770139--6.075-
4-METHOXY-2,6-DIMETHYL-PHENOL-ME770829--6.427-
4-METHOXY-2-[(E)-STYRYL]-2,3-DIHYDROPYRAN-6-ONE-ME770894--2.536-
4-METHOXY-3,5-DIMETHYL-BENZOIC ACID-ME770890--7.298-
4-METHOXYISOCARBOSTYRIL-ME769497--1.26-
4-METHYL-1H-BENZIMIDAZOLE-ME769933--1.531-
4-METHYL-1H-BENZIMIDAZOLE-2-THIOL-ME770141--0.984-
4-METHYL-1-PHENYL-PENTAN-3-ONE-ME770770--3.99-
4-METHYL-4-OXIDO-PIPERAZIN-4-IUM-1-CARBOXYLIC ACID...-ME770626--9.352-
[4-METHYL-5-(1-METHYLIMIDAZOL-2-YL)THIAZOL-2-YL]AM...-ME769715--2.926-
4-METHYL-5,6,7,8-TETRAHYDROQUINOLINE-8-CARBOXIMIDO...-ME769915--2.398-
4-METHYL-6,7,8,9-TETRAHYDROPYRANO[3,2-G]QUINOLIN-2...-ME769925--1.093-
4-(METHYLAMINO)-1-(3-PYRIDYL)BUTAN-1-OL-ME769411--4.392-
4-(METHYLAMMONIO)-4-(3-PYRIDYL)BUTYRATE-ME770873--7.883-
4-METHYLPIPECOLINIC ACID-ME770840--4.497-
4-METHYLPIPERIDINE-1-CARBOXAMIDINE-ME770721--7.059-
4-METHYLPYRIDINE-ME770562--3.847-
4-NITRO-N-(1-PHENYLETHYL)BENZAMIDE-ME770747--6.218-
4-PHENOXYBUTYLAMINE-ME770340--3.989-
4-(PHENYLAMINO)PHENOL-ME769559--1.781-
4-PHENYLMORPHOLINE-ME769292--2.292-
4-PIPERIDINOBUTYLAMINE-ME768981--4.32-
4-PIPERIDYL(PYRROLIDINO)METHANONE-ME770655--7.55-
4-PYRIDOXIC ACID4-Pyridoxic acidME770607--2.565-
4-QUINOXALIN-2-YLBUTANE-1,2,3-TRIOL-ME770664--7.815-
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-DIH...-ME770438--1.323-
(4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3-HYDROXY-6,...-ME769312--1.745-
(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-DIACE...-ME770446--1.017-
(4R)-4-[(3R,5S,9S,10S,12S,13R,14S,17R)-3,12-DIHYDR...-ME770014--2.699-
(4R,4AR,7AR,12BS)-9-METHOXY-2,3,4,4A,5,6,7A,13-OCT...-ME770641--5.985-
(4R,4AS,7AR,12BS)-3-METHYL-1,2,4,5,6,7,7A,13-OCTAH...-ME768971--5.925-
(4S)-4-AMINO-2,2-DIMETHYL-GLUTARIC ACID-ME769404--11.034-
(4S)-4-AMINO-4-{[(1S)-1-CARBOXY-2-(1H-INDOL-3-YL)E...-ME769655--11.472-
(4S)-4-AMINO-4-{[(1S)-1-CARBOXY-2-(4-HYDROXYPHENYL...-ME770413--12.605-
(4S)-4-AMINO-4-{[(1S)-1-CARBOXY-2-METHYLPROPYL]CAR...-ME770084--11.334-
(4S)-4-AMINO-4-{[(1S)-1-CARBOXY-2-PHENYLETHYL]CARB...-ME770326--9.713-
(4S)-4-AMINO-5-[[(1S)-1-[[(1S)-1-CARBOXY-2-PHENYL-...-ME769321--9.446-
(4S)-4-AMINO-5-HYDROXY-VALERIC ACID-ME769552--9.921-
(4S,5R,6R,7S,8R)-4,6,7,8,9-PENTAHYDROXY-5-[(1-HYDR...-ME769583--12.622-
4-TERT-BUTYL-N-ISOPROPYL-BENZAMIDE-ME770581--3.387-
5-[[1-(2-AMINOCARBONYLPYRROLIDIN-1-YL)-3-(1H-IMIDA...-ME769160--13.275-
5-(1-ADAMANTYLMETHYLAMINO)PENTYL-TRIMETHYL-AMMONIU...-ME769506--3.422-
5-[(2,4-DIFLUOROPHENOXY)METHYL]FURFURAL-ME768982--1.673-
5-(2,5-DIKETOTETRAHYDROFURAN-3-YL)-7-METHYL-3A,4,5...-ME769232--1.255-
5-(2-CARBAMOYLPYRROLIDINO)-5-KETO-4-(PYROGLUTAMOYL...-ME769463--9.058-
5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLE5-(2-Hydroxyethyl)-4-methylthiazoleME770507--1.175-
5-(2-KETO-1,3,3A,4,6,6A-HEXAHYDROTHIEN[3,4-D]IMIDA...-ME770671--2.751-
5-[(2S,4R)-4-HYDROXY-5-KETO-1-METHYL-PYRROLIDIN-2-...-ME769015--3.772-
5-[(3S,5R,10S,13R,14S,17R)-3,14-DIHYDROXY-10,13-DI...-ME769936--1.123-
5-(4-ACETOXY-3-HYDROXY-2,5,5,8A-TETRAMETHYL-3,4,4A...-ME770305--1.28-
5-(4-FLUOROPHENYL)-1-[2-[(2R,4R)-4-HYDROXY-6-OXOOX...-ME769730--1.003-
5-(4-FLUOROPHENYL)-N-(4-HYDROXYPHENYL)-1-[2-[(2R,4...-ME769588--1.305-
5-[(5-CARBETHOXY-3-ETHYL-4-METHYL-1H-PYRROL-2-YL)M...-ME769114--2.116-
5-(5-CARBOMETHOXY-5,8A-DIMETHYL-2-METHYLENE-DECALI...-ME770278--0.982-
5-(5-HYDROXY-3-METHYLOL-PENTYL)-5,6-DIMETHYL-8A-ME...-ME770219--1.813-
5-[({[5-HYDROXY-4-(HYDROXYMETHYL)-6-METHYLPYRIDIN-...-ME770086--2.137-
[5-(6-AMINOPURIN-9-YL)-3,4-BIS(OXIDANYL)OXOLAN-2-Y...Phosphoric acidME770449--13.401-
5-(6-HYDROXY-2,5,7,8-TETRAMETHYL-CHROMAN-2-YL)-2-M...-ME769982--0.886-
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6,8-BIS[3,4,5-TR...-ME769294--9.63-
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6,8-BIS(3,4,5-TR...-ME769640--7.169-
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-8-[3,4,5-TRIHYDR...-ME769865--8.173-
(5,7-DIMETHYL-4H-IMIDAZO[4,5-B]PYRIDIN-2-YL)AMINE-ME769036--3.017-
5,7-DIMETHYLQUINOLIN-8-OL-ME770838--3.907-
5-(7-KETO-1,2,4A,5-TETRAMETHYL-3,4,8,8A-TETRAHYDRO...-ME770035--1.009-
5,8,14-TRIAZATETRACYCLO[10.3.1.02,11.04,9]HEXADECA...-ME769553--5.751-
5-[(8AS)-3-KETO-2,5,5,8A-TETRAMETHYL-4A,6,7,8-TETR...-ME769067--1.121-
5A-(ACETOXYMETHYL)-9-HYDROXY-1-ISOPROPENYL-5B,8,8,...-ME770176--1.298-
5-ACETYL-2,6-DIMETHYL-2,3-DIHYDRO-1H-PYRIDIN-4-ONE-ME770472--1.803-
5-ACETYLAMINO-6-AMINO-3-METHYLURACIL5-Acetylamino-6-amino-3-methyluracilME769901--4.86-
5-ACETYLAMINO-6-FORMYLAMINO-3-METHYLURACIL5-Acetylamino-6-formylamino-3-methyluracilME770003--4.674-
5-ALPHA-DIHYDROTESTOSTERONE GLUCURONIDE-ME769183--4.068-
5ALPHA-PREGN-2-EN-20-ONE-ME769885--0.947-
5.ALPHA.-PREGNAN-3.ALPHA.,17-DIOL-20-ONE 3-SULFATE-ME770710--0.911-
5ALPHA-PREGNANE-3,20-DIONE5alpha-Pregnane-3,20-dioneME770328--1.815-
5ALPHA-TETRAHYDROCORTICOSTERONE5alpha-TetrahydrocorticosteroneME770016--1.334-
5-AMINO-1,3,6-TRIMETHYL-BENZIMIDAZOL-2-ONE-ME769233--1.524-
5-AMINO-LEVULINIC ACID5-Amino-levulinic acidME770435--10.375-
5-AMINOOXINDOLE-ME770654--1.601-
5-AMINOPENTAN-1-OL-ME769668--6.47-
5-AMINOPENTANOIC ACID5-Aminopentanoic acidME768899--9.158-
5-AMMONIOCYCLOHEXA-1,3-DIENE-1-CARBOXYLATE-ME770665--2.798-
5-ANDROSTENETRIOL-ME769383--1.095-
(5BETA,11BETA)-11,21-DIHYDROXYPREGNANE-3,20-DIONE-ME769204--1.727-
5BETA-DIHYDROTESTOSTERONE5beta-DihydrotestosteroneME769816--1.711-
5-BUTYL-1H-PYRAZOLE-3-CARBOXYLIC ACID-ME770941--7.48-
5-BUTYL-2-(ETHYLAMINO)-6-METHYLPYRIMIDIN-4(1H)-ONE-ME769069--2.014-
5-BUTYL-2-(ETHYLAMINO)-6-METHYLPYRIMIDIN-4-YL DIME...-ME769255--2.116-
[5-CHLORO-2-(4-CHLOROPHENOXY)PHENYL]AMINE-ME770263--1.193-
5-(CHLOROMETHYL)-2-METHYL-4-METHYLOL-PYRIDIN-3-OL-ME768980--2.177-
5-CHLORO-N-{[(5S)-2-OXO-3-[4-(3-OXOMORPHOLIN-4-YL)...RivaroxabanME769598--2.295-
(5E)-3-ALLYL-5-(1-METHYL-2-PYRIDYLIDENE)-2-THIOXO-...-ME769854--1.491-
(5E)-4,7,8-TRIHYDROXY-2-(2-HYDROXYPENTYL)-9,9-DIME...-ME770080--2.115-
(5E,9E)-6,10,14-TRIMETHYLPENTADECA-5,9,13-TRIEN-2-...-ME769678--0.889-
5-ETHENYL-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDIN-1-ON...GentianineME769230--1.96-
[5-(ETHOXYMETHYL)-2-METHYL-PYRIMIDIN-4-YL]AMINE-ME769590--4.318-
5-ETHYL-5-ISOPROPYL-HYDANTOIN-ME770748--9.296-
5-GLUTAMYL-ALANINEgamma-GlutamylalanineME770273--13.178-
5-HYDROXY-2,2,6,6-TETRAMETHYL-4-[3-METHYL-1-(2,4,6...-ME770434--3.509-
5-HYDROXY-2,3,3A,4,5,7A-HEXAHYDRO-1H-ISOINDOLE-1,3...-ME769361--3.548-
5-HYDROXY-2-(3-HYDROXY-4-METHOXY-PHENYL)-7-[(2S,3R...-ME770782--5.138-
5-HYDROXY-2-METHYL-1H-INDOLE-3-CARBOXYLIC ACID ISO...-ME769008--1.258-
5-HYDROXY-3',4',5',6,7,8-HEXAMETHOXYFLAVONE-ME770708--1.018-
5-HYDROXY-3-(4-HYDROXYPHENYL)-7-[(2S,3R,4S,5S,6R)-...-ME770936--1.171-
5-HYDROXY-5,9-DIMETHYL-TETRACYCLO[11.2.1.01,10.04,...-ME770028--0.993-
5-HYDROXYLYSINE5-HydroxylysineME770932--9.842-
5-(HYDROXYMETHYL)-2,4-DIMETHYLPYRIDIN-3-OL-ME769606--3.841-
5-(HYDROXYMETHYL)-4-(METHOXYMETHYL)-2-METHYLPYRIDI...GinkgotoxinME770114--3.337-
5-HYDROXYNICOTINIC ACID-ME769043--5.99-
5-HYDROXYPIPERIDINE-1,3-DICARBOXYLIC ACID O1-TERT-...-ME769231--2.276-
5-KETO-1-MESITYL-PYRROLIDINE-3-CARBOXYLIC ACID-ME769054--2.3-
5-METHOXY-2-METHYL-1H-INDOLE-ME770861--5.688-
5-METHYL-1-PROPYL-PYRAZOLE-4-CARBALDEHYDE-ME769044--1.188-
5-METHYL-2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID-ME770717--8.961-
(5-METHYL-2-PYRROL-1-YL-PHENYL)AMINE-ME769785--2.572-
5-(METHYLAMINO)-1-(3-PYRIDYL)PENTAN-1-ONE-ME770519--8.766-
5-METHYLCYTOSINE5-MethylcytosineME768911--5.246-
5-METHYLNICOTINIC ACID METHYL ESTER-ME769618--3.024-
5-METHYLPICOLINIC ACID-ME769457--3.378-
[5-(M-TOLYL)-1,3,4-OXADIAZOL-2-YL]AMINE-ME769509--2.484-
5-PHENYL-1,2-OXAZOL-3-OL-ME768998--2.756-
5-PROPYL-1H-PYRAZOLE-3-CARBOXYLIC ACID-ME770785--5.193-
5-(P-TOLYL)-1H-PYRAZOLE-4-CARBALDEHYDE-ME769179--2.434-
(5S)-5-(1-HYDROXY-1-METHYL-ETHYL)-2-METHYL-CYCLOHE...-ME769241--1.017-
(5~{S})-6-[6-[(1~{E},3~{R},5~{Z})-3-HYDROXYUNDECA-...-ME769547--2.462-
(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-DIHYDROXY-1...-ME770261--1.261-
(5S,7S)-10,10-DIMETHYL-3LAMBDA6-THIA-4-AZATRICYCLO...-ME769250--1.16-
(5S,8AR)-5,8A-DIMETHYL-3-METHYLENE-5,6,7,8,9,9A-HE...-ME769918--1.003-
(5S,8S,9S,10S,11S,13S,14S,17R)-17-GLYCOLOYL-11,17-...-ME768983--1.987-
5-(TRIMETHYLAMMONIO)VALERATE-ME770520--3.639-
5-UREIDOVALERIC ACID-ME770649--9.139-
(5Z)-4-[(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLOYL...-ME769266--6.096-
(5Z,8Z,11Z)-13-(3-AMYLOXIRAN-2-YL)TRIDECA-5,8,11-T...-ME769739--1.19-
(5Z,8Z,11Z,14Z,16S)-16-HYDROXYICOSA-5,8,11,14-TETR...-ME769526--1.128-
(5Z,8Z,11Z,14Z)-EICOSA-5,8,11,14-TETRAENOIC ACID M...-ME769830--0.92-
5Z,8Z,11Z,14Z-EICOSATETRAENEDIOIC ACID20-Carboxy-arachidonic acidME769080--1.117-
(5Z,8Z,11Z,14Z)-N-(2-KETO-4-METHYL-CHROMEN-7-YL)EI...-ME769494--2.263-
(5Z,8Z,11Z,14Z)-N-(4-HYDROXYPHENYL)EICOSA-5,8,11,1...-ME769482--0.988-
(5Z,8Z,11Z)-EICOSA-5,8,11-TRIENOIC ACID METHYL EST...-ME768995--0.868-
6-(1,2-DIHYDROXY-2-METHYL-PROPYL)-9,10-DIHYDROXY-1...-ME770222--1.475-
6-[(1R,2R,3S,5S)-2-[(Z)-4-CARBOXYBUT-2-ENYL]-3,5-D...-ME770335--5.749-
6-{(1S,5S)-4-OXO-5-[(2Z)-PENT-2-EN-1-YL]CYCLOPENT-...-ME770122--0.969-
6-(2,3-DIHYDROXY-3-METHYL-BUTOXY)-4-METHOXY-5-METH...-ME769330--2.85-
6-[2-(3-HYDROXY-2,2,5A-TRIMETHYL-7-METHYLENE-4,5,6...-ME769405--1.434-
[6-(2-FURYL)-3-PYRIDYL]METHYLAMINEMethylamineME770247--4.378-
6-[4-[1-(4-OXIDANYLCYCLOHEXYL)-1,2,3,4-TETRAZOL-5-...-ME769597--2.426-
6-[4-(1-CYCLOHEXYLTETRAZOL-5-YL)-4-[(2-KETO-3,4-DI...-ME769348--3.177-
6-[4-[2-(2-HYDROXYETHOXY)ETHYL]PIPERAZINO]BENZO[B]...-ME770196--4.565-
6-[4-[2-(5-HYDROXY-2-METHYLENE-CYCLOHEXYLIDENE)ETH...-ME769281--1.61-
6-(4-BENZO[B][1,4]BENZOTHIAZEPIN-6-YLPIPERAZINO)BE...-ME769709--3.333-
6-(5-HYDROXY-4-METHYLENE-CYCLOHEX-2-EN-1-YL)-2-MET...-ME769897--1.026-
6,7,8,3',4'-PENTAMETHOXYISOFLAVANQUINONE-ME770826--7.81-
6,7-DIHYDRO-5H-ISOQUINOLIN-8-ONE-ME770250--2.633-
6,7-DIHYDROXY-3-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE-ME770573--3.927-
6-AMINO-7H-PURIN-8-OL8-HydroxyadenineME770011--5.23-
6-AMYL-4-HYDROXY-TETRAHYDROPYRAN-2-ONE-ME770269--1.029-
(6AR,11AS,11BR)-10-ACETYL-11-HYDROXY-7,7-DIMETHYL-...-ME770121--2.305-
(6AR,9R)-N,7-DIMETHYL-N-PROPYL-6,6A,8,9-TETRAHYDRO...-ME769221--2.413-
(6AS,11BR)-7,11B-DIHYDROINDENO[2,1-C]CHROMENE-3,6A...-ME770180--1.499-
(6AS)-1,2,11-TRIMETHOXY-6-METHYL-5,6,6A,7-TETRAHYD...-ME769604--3.285-
(6AS)-2,10-DIMETHOXY-5,6,6A,7-TETRAHYDRO-4H-DIBENZ...-ME769439--3.384-
6-C-GLUCOSYLNARINGENIN-ME769960--6.521-
6-CHLOROTETRALIN-1-ONE-ME770272--1.075-
6-[(CYCLOHEXYLCARBAMOYL)AMINO]HEXANOIC ACID-ME769595--3.305-
[6-(DIFLUOROMETHOXY)-3-PYRIDYL]METHYLAMINEMethylamineME769444--3.717-
(6E)-7-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL...-ME769718--0.949-
(6E)-HEPTADECA-6,16-DIENE-1,2,4-TRIOL-ME770309--0.902-
6-ETHOXY-2,2,4-TRIMETHYL-1,2-DIHYDROQUINOLINE-ME769227--0.91-
6-ETHOXY-2-(ETHYLTHIO)-1H-BENZIMIDAZOLE-ME770306--1.9-
6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-1-BEN...-ME769353--0.907-
6-HYDROXY-8-[(1R)-1-HYDROXY-2-{[1-(4-METHOXYPHENYL...-ME769193--3.886-
6-HYDROXYLUTEOLIN 5,6,7,4'-TETRAMETHYL ETHER-ME769691--1.106-
6-HYDROXYMELATONIN6-HydroxymelatoninME769845--2.952-
6-ISOPROPYL-4-KETO-2-METHYL-CYCLOHEX-2-ENE-1-CARBO...-ME769930--0.973-
6-MALEIMIDOHEXANOIC ACID-ME770266--2.969-
(6-METHOXY-1,3-BENZOTHIAZOL-2-YL)AMINE-ME769632--1.118-
6-METHOXY-2-[(4-METHOXY-3,5-DIMETHYL-2-PYRIDYL)MET...-ME770341--1.347-
(6-METHOXY-3-PYRIDYL)AMINE-ME770178--3.598-
6-METHOXY-7H-PURIN-2-AMINE-ME769140--4.744-
6-METHYL-1H-QUINAZOLIN-4-ONE-ME769560--2.655-
6-METHYLNICOTINIC ACID-ME770807--5.523-
6-METHYLPYRIDIN-3-OL-ME770546--5.186-
6-METHYLTHIOGUANINE-ME770368--3.635-
6-OCTADECYLENIC ACID6-Octadecylenic acidME768871--1.013-
6-O-FERULOYLCATALPOL-ME770031--5.949-
6-OXO-OCTADECANOIC ACID-ME769988--0.907-
6-PHENYLTHIOMORPHOLIN-3-ONE-ME770799--12.919-
6-PIPERAZINO-7H-PURINE-ME769287--4.248-
6-PIPERAZINOBENZO[B][1,4]BENZOTHIAZEPINE-ME769541--3.241-
(6R,8S,9R,10S,11S,13S,14S,17S)-9-FLUORO-6,11,17-TR...-ME770066--1.661-
(6S)-2'-KETO-1-METHYL-SPIRO[1,4A,5,5A,7,8,10,10A-O...-ME769545--1.901-
(6S)-2-METHYL-6-(4-METHYLPHENYL)HEPT-2-EN-4-ONE-ME769773--1.608-
(6S)-2-METHYL-6-PYRIDIN-3-YLOXAZINANE-ME770045--2.441-
6Z,9Z,12Z,15Z,18Z-HENEICOSAPENTAENOIC ACID6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acidME769852--0.929-
7,12-BIS(1-HYDROXYETHYL)-3,8,13,17-TETRAMETHYLPORP...HematoporphyrinME770158--2.83-
7,15-BIS(3,4-DIMETHOXYPHENYL)-19-OXA-4,18-DIAZAHEX...-ME769304--2.774-
7-[(1R,2R,3R)-3-HYDROXY-2-[(E,4S)-4-HYDROXY-4-(1-P...-ME769879--1.863-
7-[2,6-DIMETHYL-8-(2-METHYL-1-OXOBUTOXY)-1,2,6,7,8...-ME769961--2.253-
7-[2-OXIDANYLIDENE-5-(3-OXIDANYLOCTYL)PYRROLIDIN-1...-ME769154--2.015-
7-[(2R)-2-[(E,3S,4S)-3-HYDROXY-4-METHYLNON-1-EN-6-...-ME769151--1.926-
7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-DIHYDROXY-4...-ME770759--1.09-
7,8-DIAMINONONANOIC ACID7,8-Diaminononanoic acidME770661--3.406-
7,8-DIMETHOXY-1,3-DIHYDRO-3-BENZAZEPIN-2-ONE-ME769196--1.857-
7A-HYDROXY-CHOLESTENE-3-ONE7alpha-Hydroxy-4-cholesten-3-oneME769490--0.912-
7ALPHA,12ALPHA-DIHYDROXY-5BETA-CHOLESTAN-3-ONE7alpha,12alpha-Dihydroxy-5beta-cholestan-3-oneME769415--1.538-
7ALPHA,24S-DIHYDROXY-4-CHOLESTEN-3-ONE-ME769645--1.623-
7ALPHA,24S-DIHYDROXYCHOLESTEROL7alpha,24S-DihydroxycholesterolME770453--1.346-
7ALPHA,25-DIHYDROXYCHOLESTEROL7alpha,25-DihydroxycholesterolME769119--1.006-
7-AMINOCLONAZEPAM7-AminoclonazepamME769406--1.253-
7-AMINOENANTHIC ACID-ME770303--6.528-
7-CHLORO-5-(CYCLOHEX-1-EN-1-YL)-1-METHYL-2,3-DIHYD...-ME769495--2.117-
7-ETHOXY-4H-1,4-BENZOTHIAZIN-3-ONE-ME770843--4.957-
7-HYDROXY-2,3,4,5-TETRAHYDROBENZOFURO[2,3-C]AZEPIN...-ME768972--1.556-
7-METHOXY-1-METHYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARB...-ME770475--4.003-
7-METHOXY-2-METHYL-4-QUINOLONE-ME770866--4.299-
7-METHYL-2-PROPYL-3H-BENZIMIDAZOLE-5-CARBOXYLIC AC...-ME770345--2.595-
7-METHYL-7H-PURIN-6-AMINE7-MethyladenineME769398--4.562-
7-METHYLGUANINE7-MethylguanineME770570--4.796-
7-METHYLINDANE-4-CARBOXYLIC ACID ETHYL ESTER-ME770954--4.556-
7-METHYLURIC ACID7-Methyluric acidME770380--5.721-
7-(N'-CYCLOPENTYLIDENEHYDRAZINO)-7-KETO-ENANTHIC A...-ME769210--2.028-
(7R,8R,9S,10R,13S,14S,17R)-10,13-DIMETHYL-7-(METHY...-ME769329--1.681-
(7S,9R)-9-METHYL-14-METHYLENE-5,5-DIMETHYLOL-TETRA...-ME769726--1.994-
8-[(1S,5R)-5-(3-HYDROXY-3-OXOPROPYL)-4-OXIDANYLIDE...-ME770609--0.98-
8-(2,3-DIHYDROXY-3-METHYLBUTOXY)-4-METHOXY-1-METHY...-ME769500--1.818-
8-[(2R,3R,4R,5S,6R)-6-(HYDROXYMETHYL)-5-[(2S,3R,4S...-ME770716--4.921-
8-[(2S,3R)-3-[(Z)-OCT-2-ENYL]OXIRAN-2-YL]CAPRYLIC ...-ME769278--1.082-
8-(3-OCTYLOXIRAN-2-YL)OCTANOIC ACID-ME769488--0.881-
8-(5-KETO-3-METHYL-2H-FURAN-4-YL)-7-METHOXY-COUMAR...-ME769063--1.053-
8-ACETAMIDO-7-KETO-2-METHYL-PELARGONIC ACID-ME770130--2.773-
8-ACETYL-6,7-DIMETHOXY-COUMARIN-ME769805--1.615-
(8BETA,9BETA)-6,8-DIMETHYL-2-(2-METHYLBUT-3-EN-2-Y...-ME769856--1.724-
(8-BUTYL-12,12-DIMETHYL-11-THIA-4,5,7-TRIAZATRICYC...-ME769738--2.112-
8-HYDROXY-2,10,10-TRIMETHYL-TRICYCLO[6.3.0.01,5]UN...-ME769454--0.994-
8-HYDROXY-8-(3-OCTYLOXIRAN-2-YL)CAPRYLIC ACID-ME769367--1.078-
8-METHYL-3-OXIDANYL-8-AZONIABICYCLO[3.2.1]OCTANE-2...-ME770756--8.051-
8-METHYL-8-AZABICYCLO[3.2.1]OCT-2-ENE-2-CARBOXYLIC...-ME769737--2.742-
8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-OL-ME770537--4.917-
8-OXO-NONANOIC ACID-ME770669--6.135-
(8S,10R,13R,17R)-17-[(E,1R)-4-ETHYL-1,5-DIMETHYL-H...-ME769724--0.902-
(8S)-8-AMINO-7-OXONONANOIC ACID8-Amino-7-oxononanoic acidME769378--5.925-
8S-HETRE8S-HETrEME770090--0.914-
(8Z,11Z)-13-(3-AMYLOXIRAN-2-YL)TRIDECA-8,11-DIENOI...-ME770474--0.916-
9-[2-(ETHOXYCARBONYL)PHENYL]-3,6-BIS(ETHYLAMINO)-2...-ME769122--1.819-
9-[(2R,3R,5S)-3-HYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-...-ME770745--6.776-
9-[(2R,5R)-4-HYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-...-ME770205--4.525-
9-[3,4-DIHYDROXY-5-(METHOXYMETHYL)TETRAHYDROFURAN-...-ME770456--4.133-
9-[3-HYDROXY-5-(HYDROXYMETHYL)-4-METHOXYOXOLAN-2-Y...-ME768979--5.102-
(9E,11Z)-8-HYDROXYOCTADECA-9,11-DIENOIC ACID-ME769813--0.914-
9-HYDROXYFLUORENE-9-CARBOXYLIC ACID ETHYL ESTER-ME770441--2.141-
9-METHOXY-2,2-DIMETHYL-6H-PYRANO[3,2-C]QUINOLIN-5-...-ME770634--5.473-
9-OXO-11R,15S-DIHYDROXY-16,16-DIMETHYL-13E-PROSTAE...-ME770042--1.24-
9-OXOODE9-OxoODEME769681--1.347-
(9R,10S)-9,10,16-TRIHYDROXYPALMITIC ACID-ME769706--3.559-
9S,15S-DIHYDROXY-11-OXO-16,16-DIMETHYL-5Z,13E-PROS...-ME770430--1.289-
9-(TETRAHYDROFURAN-2-YL)-9H-PURIN-6-AMINE-ME770837--6.799-
9Z,11E,13E-OCTADECATRIENOIC ACID-ME770536--6.74-
(9Z,12E)-15,16-DIHYDROXYOCTADECA-9,12-DIENOIC ACID-ME769652--1.223-
(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOIC ACID [2-HYD...-ME769451--1.683-
(9Z,12Z)-8-HYDROXYOCTADECA-9,12-DIENOIC ACID-ME770160--0.934-
(9Z,12Z)-N-[2-(4-HYDROXYPHENYL)ETHYL]OCTADECA-9,12...-ME769558--0.975-
(9Z,12Z)-OCTADECA-9,12-DIENOIC ACID [3-HYDROXY-2-[...-ME769741--1.247-
(9Z,12Z)-OCTADECA-9,12-DIENOIC ACID ISOPROPYL ESTE...-ME770304--0.849-
(9Z,14Z)-12,13,16-TRIHYDROXYOCTADECA-9,14-DIENOIC ...-ME770351--0.917-
ABRINE-ME769217--6.491-
ACETIC ACID (10-ACETOXY-9-HYDROXY-5,13,16-TRIKETO-...-ME770858--1.049-
ACETIC ACID [(1R,2S,5S,6R,9S,10S,13S)-2,6-DIHYDROX...-ME769308--0.876-
ACETIC ACID [(1S,4S,4AR,8AS)-4-[(3S)-3-HYDROXY-3-M...-ME770243--1.047-
ACETIC ACID [(1S,5Z,9R,10R)-7-KETO-10-METHYL-2-MET...-ME769579--1.261-
ACETIC ACID [2-[(3S,5R,8S,9S,10S,11S,13S,14S,17R)-...-ME769944--1.67-
ACETIC ACID [2-[(3S,5R,8S,9S,10S,13S,14S,17R)-3-AC...-ME769919--1.725-
ACETIC ACID [(2S,3S)-4-KETO-2-(4-METHOXYPHENYL)-5-...-ME770399--4.109-
ACETIC ACID [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-...-ME770220--3.409-
ACETIC ACID [(2S,3S,5S,8R,9S,10S,13S,14S,17R)-17-A...-ME769081--2.943-
ACETIC ACID [4-(7-HYDROXY-4-KETO-6-METHOXY-CHROMEN...-ME770070--1.213-
ACETIC ACID [(4R,4AR,7S,7AR,12BS)-3-ACETYL-9-METHO...-ME770385--1.67-
ACETIC ACID [(4S,5S,5AS,9AS)-4-HYDROXY-1-KETO-6,6,...-ME769818--1.243-
ACETIC ACID [5-(3,4-DIHYDROXYPHENYL)-1-[2-(3,4-DIH...-ME770183--1.142-
ACETIC ACID (5',7,9,13-TETRAMETHYLSPIRO[5-OXAPENTA...-ME769683--1.84-
ACETIC ACID [5-(7-KETO-5,5,8A-TRIMETHYL-2-METHYLEN...-ME769697--0.954-
ACETOPHENONEAcetophenoneME770678--14.379-
ACETYL-N-FORMYL-5-METHOXYKYNURENAMINEAcetyl-N-formyl-5-methoxykynurenamineME769572--1.806-
ACEXAMIC ACID-ME770245--1.641-
ADENOSINEAdenosineME768922--4.122-
ADRENOYL-EAAdrenoyl-EAME769302--0.974-
AGMATINEAgmatineME768936--12.592-
AJMALINEAjmalineME769177--3.314-
ALA-ALAAla-AlaME769228--11.41-
ALA PROAla-ProME770883--10.65-
ALFAXALONE-ME769264--1.692-
ALLOXANTHIN/ TETRADEHYDROZEAXANTHIN / (CYNTHIAXANT...-ME769268--1.016-
ALLYL(1-PHENYLETHYL)AMINE-ME769346--2.349-
ALPHA-CHACONINE-ME770126--5.769-
ALPHA-D-MANNOPYRANOSYL-(1->2)-D-MANNOPYRANOSE-ME770597--10.996-
ALPHA-L-FUCOPYRANOSYL-(1->3)-[ALPHA-L-FUCOPYRAN...-ME770107--12.156-
ALPHA-LINOLENOYL-EAalpha-Linolenoyl-EAME769397--1.021-
ALPHA-N-PHENYLACETYLGLUTAMINEalpha-N-PhenylacetylglutamineME768898--5.87-
ALPHA-TOCOPHEROLalpha-TocopherolME769386--0.864-
AMMOTHAMNINEOxymatrineME770343--2.439-
ANATABINEAnatabineME770101--4.535-
ANDROSTENEDIOLAndrostenediolME770769--2.267-
ANDROSTERONEAndrosteroneME769948--1.566-
ANSERINEAnserineME768916--13.87-
APHIDICOLINAphidicolinME769803--1.667-
APIINApiinME770727--1.267-
ARACHIDONIC ACIDArachidonic acidME770425--0.909-
ARACHIDONOYL-EAArachidonoyl-EAME769648--0.992-
ARGININEArginineME768921--13.754-
ATORVASTATINAtorvastatinME770339--1.67-
ATPATPME770445--13.273-
AZELAIC ACIDAzelaic acidME768862--1.057-
AZITHROMYCINAzithromycinME769742--5.113-
BEHENOYL-EABehenoyl-EAME770310--0.967-
BENZAMIDEBenzamideME768903--1.177-
BENZENESULFONIC ACID [(E)-(5-CYCLOHEXYL-4-KETO-2-M...-ME770049--2.027-
BENZHYDRYLAMINE-ME769711--2.197-
BENZOIC ACID (1-LAMBDA1-OXIDANYL-2,2,6,6-TETRAMETH...-ME769719--1.566-
BENZOXY(METHYL)AMINE-ME770613--7.777-
BENZYL-DIMETHYL-MYRISTYL-AMMONIUM-ME770265--1.634-
BENZYL-DIMETHYL-STEARYL-AMMONIUM-ME769327--1.61-
BETA,BETA-DIMETHYL ACRYLIC ACIDbeta,beta-Dimethyl acrylic acidME770421--0.996-
BETA-CARBOLINEbeta-CarbolineME769003--2.356-
BETA-GENTIOBIOSEbeta-GentiobioseME769245--11.911-
BETA-MURICHOLIC ACIDbeta-Muricholic acidME769243--2.591-
BETONICINEBetonicineME769755--8.827-
BILIRUBINBilirubinME768866--1.192-
BILIVERDINBiliverdinME769932--2.177-
BIOTINBiotinME768962--2.71-
BIOTIN SULFONEBiotin sulfoneME769967--4.632-
BIS(4-PYRIDYLMETHYL)AMINE-ME769047--4.419-
BISABOLOL OXIDE A-ME770258--0.946-
BOC-HIS-OH-ME770499--13.225-
BUCHARAINE-ME769880--2.09-
BUTAN-2-YL 2-(2-HYDROXYETHYL)PIPERIDINE-1-CARBOXYL...-ME770778--6.617-
C17 SPHINGANINEC17 SphinganineME769594--4.077-
CADAVERINECadaverineME770209--6.747-
CALUSTERONECalusteroneME769503--1.695-
CAPSAICINCapsaicinME770388--2.355-
CAR(10:0)CAR 10:0ME769699--3.739-
CAR 13:1CAR 13:1ME770131--3.065-
CAR(14:0)CAR 14:0ME769905--3.802-
CAR(16:0)CAR 16:0ME770331--4.305-
CAR(4:0(3ME))CAR 4:0;3MeME769478--4.716-
CAR(6:0)CAR 6:0ME770231--4.453-
CAR(7:0)CAR 7:0ME770195--4.031-
CAR(8:0)CAR 8:0ME769213--3.805-
CAR 8:1CAR 8:1ME770360--4.213-
CARNITINECarnitineME768928--9.137-
CARNOSINECarnosineME768872--13.936-
CER 18:1;2O/18:2Cer 18:1;O2/18:2ME770502--0.948-
CER 18:1;3O/16:0;(2OH)-ME769636--2.597-
CER 18:2;2O/16:1Cer 18:2;O2/16:1ME770208--1.811-
CER(D18:0/18:1)Cer 18:0;O2/18:1ME770703--0.93-
CER(D18:1/18:0)Cer 18:1;O2/18:0ME770856--0.941-
CER(D18:1/18:1)Cer 18:1;O2/18:1ME770734--0.924-
CER(D18:1/2:0)Cer 18:1;O2/2:0ME770510--1.105-
CHAPSCHAPSME770164--5.645-
CHOLESTENONECholestenoneME768920--0.932-
CHOLIC ACIDCholic acidME769086--1.844-
CHOLINE PHOSPHATECholine phosphateME770919--5.201-
CICLOPIROXCiclopiroxME770071--1.451-
CIS-ERUCIC ACIDcis-Erucic acidME768878--0.946-
CIS-VACCENIC ACIDcis-Vaccenic acidME770181--0.902-
CITRULLINECitrullineME768938--12.501-
COPROCHOLIC ACIDCoprocholic acidME769192--1.687-
COPROPORPHYRIN IIICoproporphyrin IIIME769565--4.244-
CORYNANTHINE-ME769097--2.412-
COTININECotinineME768948--1.309-
CREATINECreatineME768873--10.438-
CREATININECreatinineME768875--4.494-
CROTETAMIDE-ME770693--6.083-
CROTONIC ACIDCrotonic acidME770683--9.219-
CURCUMINCurcuminME770198--1.098-
CYCLOPROPYL(3-PYRIDYL)METHANOL-ME770118--2.172-
CYPRODINILCyprodinilME770590--2.63-
CYTIDINECytidineME770152--5.586-
CYTISINE-ME769021--4.63-
CYTOSINECytosineME768926--5.669-
DAIDZEINDaidzeinME768969--1.286-
DAIMURON-ME769801--1.999-
DAMASCENINEDamascenineME770465--1.825-
DECAMETHYL-1,3,5,7,9,2,4,6,8,10-PENTAOXAPENTASILEC...-ME770900--0.875-
DEMISSIDINEDemissidineME769515--2.426-
DEOXYADENOSINEDeoxyadenosineME768923--3.367-
DEOXYCHOLIC ACIDDeoxycholic acidME768904--1.31-
DEOXYGUANOSINEDeoxyguanosineME768964--6.773-
DETHIOBIOTINDethiobiotinME769048--3.06-
DG 16:3_18:3DG 16:3_18:3ME770371--1.272-
DG 18:1_24:6DG 18:1_24:6ME769899--0.992-
DGDG O-22:6_2:0-ME769222--3.428-
D-GLUTAMINED-GlutamineME768966--11.904-
DIALLYLCYANAMIDE-ME770455--3.647-
DIAZEPAMDiazepamME768974--1.134-
DIBENZO[B,D]IODOLIUM-ME769942--2.125-
DIETHYL 2,4,6-TRIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DI...-ME769161--2.116-
DIETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE-ME770334--2.083-
DIHOMO-GAMMA-LINOLENOYL-EADihomo-gamma-linolenoyl-EAME770162--1.051-
DIHYDROTHYMINEDihydrothymineME769777--3.497-
DILTIAZEMDiltiazemME768894--2.334-
DIMETHYL[1-(10H-PHENOTHIAZIN-10-YL)PROPAN-2-YL]AMI...-ME768931--2.31-
DIMETHYL-[2-[METHYL(4-PIPERIDYL)AMINO]ETHYL]AMINE-ME769841--3.436-
DIMETHYLARGININEDimethylarginineME770366--10.624-
DIMETHYLBENZIMIDAZOLEDimethylbenzimidazoleME768908--1.759-
DIOSGENINDiosgeninME768955--1.334-
DIOSMINDiosminME768888--5.577-
DIPHENHYDRAMINEDiphenhydramineME768970--2.098-
DIPHENYL(4-PIPERIDINYL)METHANOL-ME770450--3.543-
DIPHENYLMETHANOL-ME769953--2.091-
DL-THREONINEDL-ThreonineME768861--10.833-
(E)-1-(3,4-DIHYDROXYPHENYL)-7-(4-HYDROXYPHENYL)HEP...-ME769505--1.19-
(E)-2-[2-[(1R,2R,8AR)-1-HYDROXY-2,5,5,8A-TETRAMETH...-ME770724--5.535-
(E)-2-[(2S,3S,7AS,12BS)-3-ETHYL-7A-HYDROXY-8-METHO...-ME770059--3.056-
(E)-2-CYANO-3-(3,4-DIHYDROXYPHENYL)ACRYLAMIDE-ME770175--3.842-
(E,2S)-2-AMINOHEPTADEC-4-ENE-1,3-DIOL-ME769994--3.968-
(E,2S,3R)-2-(OCTYLAMINO)OCTADEC-4-ENE-1,3-DIOL-ME769201--2.694-
(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID [(2...-ME770945--4.222-
(E)-3-[5-(2,3-DIHYDROXY-3-METHYL-BUTYL)-1-METHYL-I...-ME769423--2.429-
(E)-3-(O-TOLYL)ACRYLIC ACID-ME770798--5.468-
(E)-3-PHENYL-1-PIPERIDINO-PROP-2-EN-1-ONE-ME769615--1.022-
(E)-3-PHENYLACRYLIC ACID (10-HYDROXY-9-ISOPROPYL-1...-ME769941--1.054-
(E,3S,5R)-7-[4-(4-FLUOROPHENYL)-5-(HYDROXYMETHYL)-...-ME769627--1.775-
(E)-4-(2,4,6-TRIMETHYLCYCLOHEX-3-EN-1-YL)BUT-3-EN-...-ME769286--1.036-
(E)-4-(3,4-DIHYDROXYPHENYL)BUT-3-EN-2-ONE-ME770383--1.309-
(E)-4-ANILINO-4-KETO-BUT-2-ENOIC ACID-ME770254--1.915-
(E)-4-KETO-4-(N'-NICOTINOYLHYDRAZINO)BUT-2-ENOIC A...-ME769898--5.919-
(E)-5-(2,3-DIMETHYL-3-TRICYCLO[2.2.1.02,6]HEPTANYL...-ME769823--0.991-
(E)-5-PHENYLPENT-4-EN-1-OL-ME769931--1.771-
(E)-6-(1,3-DIHYDROXY-4,4,8,10,14-PENTAMETHYL-2,3,5...-ME770404--2.608-
(E)-6-HYDROXYOCTADEC-4-ENOIC ACID-ME770074--0.927-
(E,6S)-7-HYDROXY-6-[(10S,13S,14S,17S)-3-KETO-4,4,1...-ME770029--0.91-
ECHINOCYSTIC ACID-ME770923--0.918-
ECHINULIN-ME769236--2.032-
ECTOINEEctoineME770884--9.512-
EICOSANOYL-EAEicosanoyl-EAME769045--0.968-
(E)-N-(4-ACETAMIDOBUTYL)-3-(4-HYDROXY-3-METHOXY-PH...-ME770471--1.312-
ENANTHIC ACID [(8R,9S,10R,13S,14S,17S)-3,6-DIKETO-...-ME769721--1.291-
(E)-N-PHENETHYL-3-PHENYL-ACRYLAMIDE-ME769111--1.898-
(E)-OCTADEC-11-ENOIC ACID METHYL ESTER-ME769913--0.86-
EPICATECHINEpicatechinME769886--1.789-
ERUCICOYL-EAErucicoyl-EAME770150--1.705-
ESCITALOPRAMEscitalopramME768956--2.223-
ETHYL (9Z,12Z)-OCTADECA-9,12-DIENOATE-ME769300--0.908-
ETHYL (9Z)-OCTADEC-9-ENOATE-ME769682--0.862-
ETHYL ARGINATEEthyl arginateME769010--7.12-
ETHYL-ISOPROPYL-PHENYL-AMINE-ME769649--2.023-
ETHYL N-ACETYL-L-TYROSINATE-ME770813--9.103-
ETIOCHOLANEDIOL-ME769152--0.922-
FAMOTIDINEFamotidineME768961--5.794-
FAPY-ADENINEFAPy-adenineME769763--6.48-
FASCICULOL C-ME770409--3.295-
FEXOFENADINEFexofenadineME770057--3.81-
FOSINOPRILFosinoprilME769087--1.588-
FRANGULIN A-ME769263--2.892-
FRUCTOSEFructoseME769092--9.815-
GABAPENTINGabapentinME770149--6.131-
GAMMA-AMINOBUTYRIC ACIDgamma-Aminobutyric acidME768867--9.188-
GAMMA-GLUTAMYLLEUCINEgamma-GlutamylleucineME770713--11.291-
GAMMA-LINOLENOYL-EAgamma-Linolenoyl-EAME769621--1.109-
GAMMA-TOCOPHEROLgamma-TocopherolME769974--0.917-
GENIPINGenipinME769061--2.826-
GLABRIDINGlabridinME769637--1.197-
GLIOTOXINGliotoxinME770560--6.078-
GLN GLNGln-GlnME769665--13.57-
GLYCOCHOLIC ACIDGlycocholic acidME768937--6.866-
GLYCYLGLYCYL-L-ALANINEGly-Gly-AlaME769158--12.609-
GLYCYLGLYCYL-L-LEUCINEGly-Gly-LeuME770902--7.776-
GLYCYLGLYCYL-L-PHENYLALANINEGly-Gly-PheME769578--11.846-
GLYCYL-L-LYSINEGly-LysME769484--14.551-
GLYCYL-L-PHENYLALANINE 2-NAPHTHYLAMIDE-ME770911--9.305-
GLY-LEUGly-LeuME768877--9.186-
GLY PHE LYSGly-Phe-LysME770924--12.957-
GLY-PROGly-ProME770680--11.969-
GLY PRO ALAGly-Pro-AlaME769345--11.665-
GLY-TYRGly-TyrME768958--11.285-
GLY-VALGly-ValME768943--10.251-
GUANIDOACETIC ACIDGuanidoacetic acidME768865--11.021-
GUANINEGuanineME768950--6.612-
GUANOSINEGuanosineME768919--8.185-
GUINEENSINE-ME769634--0.904-
HECOGENINHecogeninME769966--1.683-
HELIOTRINEHeliotrineME769657--3.876-
HESPERETINHesperetinME770485--5.154-
HEXADEC-15-YNOIC ACID-ME769911--0.973-
HEXADECYL 2-(TRIMETHYLAZANIUMYL)ETHYL PHOSPHATE-ME770762--14.232-
HEXAETHYLENE GLYCOLHexaethylene glycolME769481--4.735-
HEXCER 17:2;2O/23:0;OHexCer 17:2;O2/23:0;OME770684--1.753-
HEXCER 18:0;3O/16:0;(2OH)-ME770376--3.32-
HISTAMINEHistamineME770728--11.147-
HISTIDINEHistidineME768891--13.196-
HOMOARGININEHomoarginineME768935--13.952-
HOMOSERINEHomoserineME768949--11.425-
HUPERZINE A-ME770463--2.789-
HYPOXANTHINEHypoxanthineME768882--4.139-
ILE GLY ILEIle-Gly-IleME769740--7.679-
IMIDAZO[1,2-A]PYRIDINE-ME770841--3.82-
IMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE-ME770667--5.392-
IMIDAZOLEACETIC ACIDImidazoleacetic acidME768930--9.515-
INDOLEPYRUVATEIndolepyruvic acidME770797--7.806-
INOSINEInosineME768947--6.087-
IRBESARTANIrbesartanME768965--1.503-
ISOHYODEOXYCHOLIC ACIDIsohyodeoxycholic acidME768876--1.053-
ISONICOTINIC ACIDIsonicotinic acidME768945--4.434-
ISOPROPALIN-ME769786--2.666-
ISOQUINOLINE-3-CARBOXYLIC ACID-ME769628--1.875-
JERVINEJervineME770529--5.302-
JUNIPERIC ACIDJuniperic acidME770147--0.931-
KYNURENIC ACIDKynurenic acidME769401--3.499-
L-ALANYL-L-HISTIDINEAla-HisME770355--13.967-
L-ALANYL-L-ISOLEUCINEAla-IleME770467--9.069-
L-ALANYL-L-LEUCINEAla-LeuME769999--9.036-
L-ALANYL-L-LYSINEAla-LysME769986--13.009-
L-ALANYL-L-METHIONINEAla-MetME769313--9.539-
L-ALANYL-L-TRYPTOPHANAla-TrpME770284--9.003-
L-ALPHA-ASPARTYL-L-ISOLEUCINE-ME769127--11.217-
L-ALPHA-ASPARTYL-L-LEUCINE-ME770470--11.253-
L-ALPHA-ASPARTYL-L-VALINE-ME769195--12.163-
LANOSTEROLLanosterolME769148--0.911-
L-ARGINYL-L-VALINEArg-ValME770542--13.115-
L-ASPARAGINYL-L-VALINEAsn-ValME770677--10.606-
LATHOSTEROLLathosterolME769513--0.922-
LEUCROSELeucroseME769270--12.736-
LEU-LEU-TYRLeu-Leu-TyrME770137--6.968-
LEU-PHELeu-PheME769593--6.24-
L-HISTIDYLGLYCINEHis-GlyME769689--13.734-
L-HISTIDYL-L-ISOLEUCINEHis-IleME769471--10.362-
L-HISTIDYL-L-LEUCINEHis-LeuME770706--10.849-
L-HISTIDYL-L-PHENYLALANINEHis-PheME770899--10.322-
L-HISTIDYL-L-PROLINEHis-ProME770689--12.904-
L-HISTIDYL-L-SERINEHis-SerME769620--14.092-
L-HISTIDYL-L-TYROSINEHis-TyrME769447--11.648-
L-HISTIDYL-L-VALINEHis-ValME770212--11.781-
LINOLEIC ACIDLinoleic acidME769875--0.91-
LINOLEOYL-EALinoleoyl-EAME769619--0.983-
L-ISOLEUCYL-L-ARGININEIle-ArgME770610--12.655-
L-ISOLEUCYL-L-ASPARTIC ACIDIle-AspME770262--10.337-
L-ISOLEUCYL-L-GLUTAMINEIle-GlnME769190--10.962-
L-ISOLEUCYL-L-HISTIDINEIle-HisME769963--10.795-
L-ISOLEUCYL-L-ISOLEUCINEIle-IleME769073--7.286-
L-ISOLEUCYL-L-LYSINEIle-LysME770179--9.906-
L-ISOLEUCYL-L-PROLINEIle-ProME770501--7.965-
L-ISOLEUCYL-L-SERINEIle-SerME770125--10.129-
L-ISOLEUCYL-L-THREONINEIle-ThrME769251--9.297-
LITHOCHOLIC ACIDLithocholic acidME768941--1.128-
L-LEUCYL-L-ALANINELeu-AlaME769446--9.065-
L-LEUCYL-L-HISTIDINELeu-HisME770346--10.536-
L-LEUCYL-L-ISOLEUCINELeu-IleME769062--6.486-
L-LEUCYL-L-LYSINELeu-LysME769860--8.419-
L-LEUCYL-L-METHIONINELeu-MetME769811--7.149-
L-LEUCYL-L-PROLINELeu-ProME770226--6.399-
L-LEUCYL-L-THREONINELeu-ThrME769673--9.133-
L-LEUCYL-L-TRYPTOPHANLeu-TrpME769120--6.362-
L-LEUCYL-L-VALINELeu-ValME769705--6.774-
L-LYSYL-L-ARGININELys-ArgME769806--13.252-
L-LYSYL-L-ISOLEUCINELys-IleME770563--12.669-
L-LYSYL-L-LEUCINELys-LeuME770493--12.568-
L-METHIONINE S-OXIDEMethionine sulfoxideME769937--11.775-
L-METHIONYL-L-METHIONINEMet-MetME770478--8.771-
L-METHIONYL-L-PROLINEMet-ProME770556--8.727-
L-NORLEUCINENorleucineME768910--7.617-
LOPERAMIDELoperamideME770001--2.074-
LOSARTANLosartanME769906--1.446-
LPC(14:0)LPC 14:0ME770867--5.296-
LPC(16:0)LPC 16:0ME770492--5.221-
LPC 22:4-SN1LPC 22:4ME770586--4.947-
LPC(O-16:0)LPC O-16:0ME770852--5.541-
LPC O-20:1LPC O-20:1ME770533--5.326-
LPC O-20:2LPC O-20:2ME770953--5.391-
LPC O-22:0LPC O-22:0ME770895--5.231-
LPC O-22:1LPC O-22:1ME770830--5.254-
LPC O-22:2LPC O-22:2ME770774--5.287-
LPC O-24:1LPC O-24:1ME770682--5.169-
LPC O-24:2LPC O-24:2ME770888--5.213-
L-PHENYLALANYLGLYCINEPhe-GlyME769354--9.039-
L-PHENYLALANYL-L-ARGININEPhe-ArgME770749--12.429-
L-PHENYLALANYL-L-ISOLEUCINEPhe-IleME769564--7.011-
L-PHENYLALANYL-L-LEUCINEPhe-LeuME770007--6.242-
L-PHENYLALANYL-L-LYSINEPhe-LysME770557--12.656-
L-PHENYLALANYL-L-METHIONINEPhe-MetME770767--8.805-
L-PHENYLALANYL-L-SERINEPhe-SerME770794--9.654-
L-PHENYLALANYL-L-THREONINEPhe-ThrME769820--8.763-
L-PHENYLALANYL-L-TYROSINEPhe-TyrME769315--7.002-
L-PHENYLALANYL-L-VALINEPhe-ValME769474--7.403-
L-PROLYL-L-ASPARTIC ACIDPro-AspME769352--12.911-
L-PROLYL-L-GLUTAMINEPro-GlnME770810--11.974-
L-PROLYL-L-ISOLEUCINEPro-IleME769827--6.148-
L-PROLYL-L-LEUCINEPro-LeuME770942--8.23-
L-PROLYL-L-METHIONINEPro-MetME769752--9.025-
L-PROLYL-L-PHENYLALANINEPro-PheME770632--8.007-
L-PROLYL-L-PROLINEPro-ProME770801--9.826-
L-PROLYL-L-THREONINEPro-ThrME769389--11.086-
L-PROLYL-L-TYROSINEPro-TyrME769837--9.191-
L-PROLYL-L-VALINEPro-ValME769050--7.784-
L-SERYL-L-ISOLEUCINESer-IleME769141--11.379-
L-SERYL-L-LEUCINESer-LeuME770718--9.4-
L-SERYL-L-PROLINESer-ProME770871--11.903-
L-SERYL-L-TYROSINESer-TyrME769702--11.564-
L-SERYL-L-VALINESer-ValME770622--10.593-
L-SORBOSONIC ACID2-Keto-L-gulonic acidME770192--10.475-
L-THREONYL-L-ALANINEThr-AlaME770859--11.629-
L-THREONYL-L-LEUCINEThr-LeuME769117--9.061-
L-THREONYL-L-PROLINEThr-ProME770780--10.754-
L-THREONYL-L-THREONINEThr-ThrME769254--12.354-
L-THREONYL-L-VALINEThr-ValME769181--10.859-
L-TRYPTOPHYL-L-ALANINE-ME769835--8.606-
L-TRYPTOPHYL-L-ARGININE-ME769639--8.062-
L-TRYPTOPHYL-L-ASPARAGINE-ME769372--11.09-
L-TRYPTOPHYL-L-ASPARTIC ACID-ME769884--10.139-
L-TRYPTOPHYL-L-GLUTAMIC ACID-ME769914--10.565-
L-TRYPTOPHYL-L-LEUCINETrp-LeuME769692--5.977-
L-TRYPTOPHYL-L-LYSINE-ME769275--9.613-
L-TRYPTOPHYL-L-PHENYLALANINE-ME769487--6.184-
L-TRYPTOPHYL-L-PROLINETrp-ProME770555--7.993-
L-TRYPTOPHYL-L-VALINE-ME769685--6.664-
L-TYROSYLGLYCYLGLYCINETyr-Gly-GlyME770595--9.101-
L-TYROSYL-L-GLUTAMIC ACIDTyr-GluME769883--11.966-
L-TYROSYL-L-GLUTAMINETyr-GlnME770133--12.078-
L-TYROSYL-L-HISTIDINETyr-HisME770459--10.37-
L-TYROSYL-L-ISOLEUCINETyr-IleME769956--7.224-
L-TYROSYL-L-LYSINETyr-LysME770488--13.525-
L-TYROSYL-L-PHENYLALANINETyr-PheME769165--7.308-
L-TYROSYL-L-PROLINETyr-ProME770854--9.022-
L-TYROSYL-L-TRYPTOPHANTyr-TrpME769104--7.521-
L-TYROSYL-L-VALINETyr-ValME769877--8.212-
LUMICHROMELumichromeME768967--2.097-
LUP-20(29)-ENE-3BETA,28-DIOL-ME769324--1.131-
LUPENONE-ME769369--0.91-
LUPININELupinineME769403--2.959-
LURASIDONE-ME769903--3.229-
L-VALYL-L-ARGININEVal-ArgME769465--12.757-
L-VALYL-L-HISTIDINEVal-HisME769109--11.869-
L-VALYL-L-ISOLEUCINEVal-IleME769900--6.725-
L-VALYL-L-METHIONINEVal-MetME770412--8.153-
L-VALYL-L-PROLINEVal-ProME770576--9.014-
L-VALYL-L-THREONINEVal-ThrME770585--10.296-
L-VALYL-L-VALINEVal-ValME769622--8.027-
LYSINAMIDELysinamideME770598--13.934-
LYSINELysineME768901--13.931-
LYS-PROLys-ProME770486--13.811-
MALVINMalvinME770528--1.162-
MANNITOLMannitolME768881--9.528-
MARGAROYL-EAMargaroyl-EAME769336--0.993-
MELEZITOSEMelezitoseME769981--13.087-
METALAXYL-MMetalaxyl-MME770457--2.034-
METHACHOLINEMethacholineME770732--2.711-
METHIONINEMethionineME768883--8.781-
METHYL 2,3,6,7-TETRADEHYDRO-5ALPHA,12BETA,19ALPHA-...-ME769303--2.354-
METHYL (2E)-3-(3,4,5-TRIMETHOXYPHENYL)PROP-2-ENOAT...-ME769610--2.248-
METHYL (2E)-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-EN...-ME769046--1.029-
METHYL (2S)-2-[[(E)-3-(4-HYDROXYPHENYL)PROP-2-ENOY...-ME769041--1.364-
METHYL-[4-(3-PYRIDYL)BUTYL]AMINE-ME770189--4.029-
METHYL-(4-PIPERIDYL)-(TETRAHYDROFURFURYL)AMINE-ME769248--3.75-
METHYL (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,...-ME769138--1.315-
METHYL (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R...-ME769246--2.324-
METHYL (4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16...-ME770193--0.915-
METHYL (5S,6R)-5,6,7-TRIS(OXIDANYL)HEPTANOATE-ME770793--3.024-
METHYL 7-[(1R,2R,3R)-3-HYDROXY-2-[(1E)-4-HYDROXY-4...-ME769840--0.922-
METHYL-[(7R,8S)-2-OXA-6-AZATRICYCLO[4.2.1.03,7]NON...-ME769851--4.616-
METHYL (8Z,11Z)-13-[(2S,3R)-3-PENTYLOXIRAN-2-YL]TR...-ME769333--1.142-
METHYL (8Z,11Z,14Z)-ICOSA-8,11,14-TRIENOATE-ME769949--0.87-
METHYL 9H-PURINE-6-CARBOXYLATE-ME769417--4.651-
METHYL (9Z,12Z)-OCTADECA-9,12-DIENOATE-ME770283--0.856-
METHYLIMIDAZOLEACETIC ACIDMethylimidazoleacetic acidME770436--3.885-
METHYL L-LEUCINATE-ME769977--6.379-
METHYL N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL-L-PH...-ME769426--4.975-
METHYL OLEATEMethyl oleateME769987--0.855-
METHYL(TETRAHYDROFURFURYL)AMINE-ME770210--4.428-
METHYL (Z)-OCTADEC-12-ENOATE-ME769661--0.843-
MEXACARBATEMexacarbateME770396--1.757-
MG(18:2)MG 18:2ME770246--1.828-
MG(20:4)MG 20:4ME769998--0.933-
MGDG 16:1_18:1MGDG 16:1_18:1ME770583--1.262-
MONOCROTALINEMonocrotalineME769976--4.64-
MORPHINE-3-GLUCURONIDEMorphine-3-glucuronideME770869--5.581-
MORPHOLINEMorpholineME770926--2.168-
MUSCARINE-ME770171--3.626-
N-[[1-(2-METHOXYPHENYL)INDAZOL-5-YL]METHYL]-2-PROP...-ME770240--1.686-
N-(1,3-DIHYDROXYOCTADEC-4-EN-2-YL)HEXADECANAMIDE-ME770914--0.958-
N-(1,3-DIHYDROXYPROPAN-2-YL)-9S,11R,15S-TRIHYDROXY...-ME769496--3.012-
N-(1,3-DIHYDROXYPROPAN-2-YL)HEXADECANAMIDE-ME770714--1.142-
N-[1-(3-PIPERIDYL)AZETIDIN-3-YL]CARBAMIC ACID TERT...-ME769356--3.651-
N1-(4-METHYL-2-NITROPHENYL)PROPANE-1,3-DIAMINE-ME769299--4.278-
N-[1-(6-KETO-4-METHOXY-PYRAN-2-YL)-2-METHYL-PROPYL...-ME770242--1.627-
N-(1-METHYL-2-PHENYL-ETHYL)ACETAMIDE-ME770927--2.818-
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDEN1-Methyl-2-pyridone-5-carboxamideME769543--2.881-
N(1),N(1),N(2),N(2)-TETRAKIS[(PYRIDIN-2-YL)METHYL]...-ME769209--4.807-
N-[2-(1,3-BENZODIOXOL-5-YL)-2-KETO-1-METHYL-ETHYL]...-ME770078--1.28-
N-[2-(1H-INDOL-3-YL)ETHYL]-4-PHENYL-BENZAMIDE-ME770588--4.513-
N-[2-(1H-INDOL-3-YL)ETHYL]-N-(PROPAN-2-YL)PROPAN-2...-ME770464--3.715-
N-[2-(1H-INDOL-3-YL)ETHYL]PROPIONAMIDE-ME769533--0.894-
N-[2-(2-CARBAMOYLPYRROLIDINO)-1-(1H-IMIDAZOL-5-YLM...-ME770901--6.507-
N-[2-(2-CARBAMOYLPYRROLIDINO)-2-KETO-1-[(3-METHYLI...-ME769375--7.779-
N-[2-[3-ACETAMIDO-1-(1,2-DIHYDROXYETHYL)-2-HYDROXY...-ME769242--11.79-
N-[2-[4-(2-METHOXYPHENYL)-1-PIPERAZINYL]ETHYL]-N-(...-ME770068--2.317-
N-(2,4,6-TRIMETHYLPHENYL)-3-BICYCLO[2.2.1]HEPTANEC...-ME770083--1.834-
N-(2,4-DIMETHYL-3-NITRO-PHENYL)ACETAMIDE-ME770138--1.31-
N-(2,4-DIMETHYLPHENYL)FORMAMIDE-ME769550--1.004-
N-[2-(4-HYDROXYPHENYL)ETHYL]ACETAMIDE-ME769039--1.215-
N-[2-(5-METHOXY-1H-INDOL-3-YL)ETHYL]CYCLOPROPANECA...-ME769445--2.203-
N-(2,6-DIISOPROPYLPHENYL)METHANESULFONAMIDE-ME769049--2.199-
N-(2,6-DIMETHYLPHENYL)-2-(2-OXOPYRROLIDIN-1-YL)ETH...-ME769790--1.511-
N-(2,6-DIMETHYLPHENYL)-2-HYDROXY-ACETAMIDE-ME770697--6.125-
N(2)-ACETYLLYSINEN(2)-AcetyllysineME768952--11.222-
N(2)-ACETYL-N-METHYLGLYCINAMIDE-ME770561--4.101-
N,2-DIMETHYL-N-PHENYL-BUTYRAMIDE-ME769664--1.481-
N-(2-FLUOROPHENYL)-3-MORPHOLINO-PROPIONAMIDE-ME770896--9.092-
N-(2-FLURO-ETHYL)-2-METHYL-5Z,8Z,11Z,14Z-EICOSATET...-ME769432--0.956-
N-(2-HYDROXYEICOSANOYL)-4R-HYDROXYSPHINGANINE-ME770058--2.392-
N-(2-HYDROXYETHYL)ISONICOTINAMIDE-ME769979--4.48-
~{N}-(2-HYDROXYETHYL)NICOTINAMIDE-ME770089--3.253-
N-(2-HYDROXYHEXADECANOYL)-4R-HYDROXYSPHINGANINE-ME770015--2.411-
N-(2-KETO-1-METHYL-3,4-DIHYDROQUINOLIN-6-YL)-2,4-D...-ME769385--2.029-
N-(2-KETO-2-PIPERIDINO-ETHYL)BENZENESULFONAMIDE-ME769187--1.074-
N-(2-KETOTETRAHYDROFURAN-3-YL)CAPRYLAMIDE-ME770648--1.01-
N-(2-KETOTETRAHYDROFURAN-3-YL)LAURAMIDE-ME770257--1.988-
N(2)-METHYL-L-LYSINEN(2)-Methyl-lysineME769844--11.061-
N-(2-NITROPHENYL)-2-PHENYL-ACETAMIDE-ME769252--1.588-
N-[2-[[OXO(PYRIDIN-4-YL)METHYL]AMINO]ETHYL]-4-PYRI...-ME770239--5.822-
N-(2-PYRIDYL)-2-(1,3,5-TRIMETHYLPYRAZOL-4-YL)ACETA...-ME769834--2.343-
N-[(2R,3R,4R,5R)-5,6-DIHYDROXY-1-OXO-3-{[(2R,3R,4S...Lewis a trisaccharideME770594--13.614-
N-[(2R,3R,4R,5R)-5,6-DIHYDROXY-1-OXO-4-{[(2S,3R,4S...-ME770934--3.432-
N-[(2R,3R,4S,5R)-3,5,6-TRIHYDROXY-1-OXO-4-{[(2S,3R...-ME770593--10.555-
N-[(2S,3R)-1,3-DIHYDROXYOCTADECAN-2-YL]ACETAMIDE-ME769200--2.687-
N-[(2S,3R,4E)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL]OCTAN...-ME769026--2.623-
N-[(2S,3R,4R,5S,6R)-2,4,5-TRIHYDROXY-6-(HYDROXYMET...-ME769866--8.084-
N-[(2S,3R,4R,5S,6R)-5-HYDROXY-6-METHYLOL-2-[(2S,3R...-ME769178--13.449-
N'-(3,3-DIMETHYL-4H-ISOQUINOLIN-1-YL)-4-METHOXY-BE...-ME769938--2.268-
N-(3,4-DIHYDROXYPHENYL)ACETAMIDE-ME769491--2.333-
N-(3-AMINOPROPYL)ACETAMIDE-ME770917--7.252-
N-[3-(DIMETHYLAMINO)-2,2-DIMETHYL-PROPYL]ISONIPECO...-ME768989--3.838-
N-[3-(DIMETHYLAMINO)PROPYL]MYRISTAMIDE-ME769477--2.816-
N-[3-(DIMETHYLAMINO)PROPYL]PROPIONAMIDE-ME769666--5.492-
N-(3-ETHOXYPROPYL)-2,4-DIHYDROXY-3,3-DIMETHYL-BUTY...-ME769743--3.004-
N-(3-FLUOROPHENYL)-4-METHYL-PIPERAZINE-1-CARBOXAMI...-ME770117--5.167-
N-(3-PIPERIDYL)PROPIONAMIDE-ME770913--7.454-
N-[(3R,4R,5S,6R)-2,5-DIHYDROXY-6-METHYLOL-4-[(2R,3...-ME769433--12.135-
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-ACETAMIDO-5...-ME769038--11.198-
N4-(1-METHYLPIPERIDIN-4-YL)BENZENE-1,4-DIAMINE-ME770400--3.336-
N-[4-[2-[2-(4-ACETAMIDOPHENOXY)ETHOXY]ETHOXY]PHENY...-ME769548--1.406-
N-{4-[(5-METHYL-1,2-OXAZOL-3-YL)SULFAMOYL]PHENYL}E...-ME769393--1.265-
N-(4-ACETAMIDOPHENYL)-2-ETHOXY-ACETAMIDE-ME770297--3.627-
N-(4-ACETAMIDOPHENYL)CYCLOPROPANECARBOXAMIDE-ME770897--3.552-
N-(4-ACETYLPHENYL)-2-CYANO-ACETAMIDE-ME770267--2.617-
N-(4-BROMO-2,5-DIMETHYL-PHENYL)ACETAMIDE-ME770128--1.302-
N-(4-BROMOPHENYL)ISONIPECOTAMIDE-ME770429--4.039-
N-(4-CHLOROPHENYL)PYRROLIDINE-1-CARBOXAMIDE-ME770050--2.453-
N-[(4-HYDROXY-3-METHOXYPHENYL)METHYL]-8-METHYLNONA...-ME770318--2.335-
N-(4-HYDROXY-3-METHYL-PHENYL)ACETAMIDE-ME770496--3.917-
N-[4-HYDROXY-3-(METHYLTHIO)PHENYL]ACETAMIDE-ME769613--1.191-
N-(4-HYDROXYPHENYL)GLYCINE-ME770885--2.87-
N-[4-KETO-4-(PHENETHYLAMINO)BUTYL]CARBAMIC ACID ET...-ME770602--4.171-
N-(4-METHOXYPHENYL)UNDEC-10-ENAMIDE-ME769395--1.429-
N-(4-PIPERIDYL)ACETAMIDE-ME770925--8.702-
N-(4-PIPERIDYL)BENZAMIDE-ME769546--4.142-
N-(4-PIPERIDYL)METHANESULFONAMIDE-ME769774--6.077-
N-(4-PROPOXYPHENYL)ACETAMIDE-ME770244--1.258-
N-(5-ACETAMIDOPENTYL)ACETAMIDE-ME769310--1.507-
N-(5-AMINO-2-METHYL-PHENYL)-4-METHYL-BENZAMIDE-ME769182--1.273-
N-(5-CHLORO-2H-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHY...-ME769862--3.895-
N(5)-ETHYL-L-GLUTAMINEN(5)-Ethyl-glutamineME768874--9.62-
N-[6,6-DIMETHYL-5-(1-METHYLPIPERIDINE-4-CARBONYL)-...-ME769452--2.5-
N-6-TRIMETHYLLYSINEN-6-TrimethyllysineME770712--13.319-
N8-ACETYLSPERMIDINEN8-AcetylspermidineME769305--6.777-
N-[(8E)-3,4-DIHYDROXY-1-{[3,4,5-TRIHYDROXY-6-(HYDR...-ME769056--3.21-
N-ACETYLARGININEN-AcetylarginineME768942--10.823-
N-ACETYL-BETA-ALANINEN-Acetyl-beta-alanineME769651--4.85-
N-ACETYLHISTAMINEN-AcetylhistamineME770898--5.557-
N-ACETYLHISTIDINEN-AcetylhistidineME770660--10.533-
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME770106--12.664-
N-ACETYLORNITHINEN-AcetylornithineME769556--11.172-
N-ACETYLPHENYLALANINEN-AcetylphenylalanineME768868--2.256-
N-ACETYLPUTRESCINEN-AcetylputrescineME769611--7.723-
N-ACETYLSEROTONINN-AcetylserotoninME769760--2.403-
N-ACETYLTHREONINEN-AcetylthreonineME770751--2.669-
N-ACETYLTRYPTOPHANN-Acetyl-tryptophanME768880--2.556-
N-ACETYLVALINEN-AcetylvalineME770617--7.34-
NAGLY 13:1/24:4-ME769677--1.404-
NAGLY 14:1/18:0-ME770232--1.61-
NAGLY 14:1/24:4-ME769549--1.211-
NAGLYSER 15:0/17:0-ME769686--2.843-
NALORPHINENalorphineME770157--3.488-
N-AMIDINO-L-GLUTAMATEalpha-Guanidinoglutaric acidME770017--12.609-
N-[ANILINO(MERCAPTO)METHYLENE]-4-METHYL-BENZAMIDE-ME770342--3.478-
NAPHTHORESORCINOL-ME770332--1.224-
NAPROXENNaproxenME769188--1.061-
N-BENZHYDRYLMETHANESULFONAMIDE-ME769776--2.03-
N-BENZYL-1H-INDOLE-2-CARBOXAMIDE-ME770498--7.892-
N-BENZYL-2,4,6-TRIMETHYL-BENZENESULFONAMIDE-ME769175--2.122-
N-BUTANOYL-LHOMOSERINE LACTONE-ME770849--8.766-
N-BUTYL OLEATEN-Butyl OleateME770255--0.846-
N-CARBAMOYLPUTRESCINEN-CarbamoylputrescineME770357--9.067-
N-CYCLOHEXYL-4-(DIMETHYLAMINO)THIOBENZAMIDE-ME769142--1.438-
N-CYCLOHEXYLPYRROLIDINE-1-CARBOXAMIDE-ME769521--2.612-
N-CYCLOOCTYL-2-PHENOXY-PROPIONAMIDE-ME770591--5.369-
N-[(E)-[(2E,4E,7E)-UNDECA-2,4,7-TRIENYLIDENE]AMINO...-ME769797--1.805-
NICOFIBRATE-ME769992--0.795-
NICOTINAMIDE RIBOSIDENicotinamide ribosideME770650--8.796-
NICOTINENicotineME770096--3.339-
NICOTINIC ACIDNicotinic acidME770765--3.795-
NIPECOTIC ACID ETHYL ESTER-ME770315--3.866-
N-METHYL-7H-PURIN-6-AMINE6-MethyladenineME768870--2.818-
N-METHYL-D-ASPARTIC ACIDN-Methyl-D-aspartic acidME768892--12.95-
N-METHYLHISTIDINEN-MethylhistidineME770539--8.665-
N-METHYL-L-GLUTAMIC ACIDN-Methyl-glutamic acidME770323--10.601-
N-METHYL-L-ISOLEUCINEN-MethylisoleucineME769625--6.321-
N-METHYL-N-(O-TOLYL)ACETAMIDE-ME769959--2.108-
N-METHYLPYRROLIDIN-2-ONEN-Methylpyrrolidin-2-oneME770809--1.328-
N-METHYLTRYPTAMINEN-MethyltryptamineME769783--2.34-
N-METHYLTYRAMINEN-MethyltyramineME768860--4.37-
N,N-BIS(2-HYDROXYETHYL)DODECANAMIDELauroyl diethanolamideME770489--12.892-
N,N'-BIS[3-(ETHYLAMINO)PROPYL]BUTANE-1,4-DIAMINE-ME770754--15.355-
N,N'-BIS(P-TOLYL)MALONAMIDE-ME769169--0.985-
N,N-DIISOBUTYLTHIOCARBAMIC ACID S-ETHYL ESTER-ME770511--5.174-
N,N-DIMETHYLHISTIDINEN,N-DimethylhistidineME770623--6.555-
N,N-DIMETHYLSPHINGOSINEN,N-DimethylsphingosineME770410--3.926-
N,N-DIPROPYLTHIOCARBAMIC ACID S-PROPYL ESTER-ME770738--6.331-
N-OLEOYL GLYCINEN-Oleoyl glycineME769441--1.6-
N-OLEOYL PHENYLALANINEN-Oleoyl phenylalanineME770842--1.124-
NORBOLETHONE-ME769316--1.195-
NORBORNAN-2-OL-ME770947--6.299-
NORDAZEPAMNordazepamME769012--1.092-
NORFENEFRINE-ME770692--1.506-
NOROXYCODONEOxymorphoneME770021--5.155-
NOROXYMORPHONE-ME769428--6.27-
NOTOGINSENOSIDE R2-ME770564--1.022-
N-PHENETHYL-1H-INDOLE-2-CARBOXAMIDE-ME769635--2.404-
N-PHENYLCARBAMIC ACID [2-(ETHYLAMINO)-2-KETO-1-MET...-ME769020--1.876-
O-(3-TERT-BUTYLPHENYL) (6-METHOXYPYRIDIN-2-YL)METH...-ME770228--1.679-
O-ANISYL-[(2S,3S)-2-PHENYL-3-PIPERIDYL]AMINE-ME769262--2.584-
OLEIC ACIDOleic acidME770460--1.02-
OLEOYL-EAOleoyl-EAME769112--0.973-
OMEPRAZOLE SULFONEOmeprazole sulfoneME770633--2.645-
OXAZEPAMOxazepamME768988--1.244-
OXIRAN-2-YLMETHANOL-ME769203--5.064-
OXIRAN-2-YLMETHYL (5~{Z},8~{Z},11~{Z},14~{Z})-ICOS...-ME768986--0.897-
OXYMETHOLONE-ME769469--1.685-
OXYMORPHONEOxymorphoneME770170--5.084-
PALMITELAIDIC ACIDPalmitelaidic acidME770076--0.936-
PALMITOLEOYL-EAPalmitoleoyl-EAME770249--1.008-
PALMITOYL-EAPalmitoyl-EAME769462--0.986-
PANCRACINE-ME769539--3.801-
PARAXANTHINEParaxanthineME768934--1.482-
PC 12:0_22:3PC 12:0_22:3ME769630--3.43-
PC 12:0_24:3PC 12:0_24:3ME769427--3.493-
PC 13:0_22:4PC 13:0_22:4ME770065--3.442-
PC 14:1_21:2PC 14:1_21:2ME769710--3.653-
PC 15:0_20:3PC 15:0_20:3ME769759--3.43-
PC 15:0_21:1PC 15:0_21:1ME770259--3.658-
PC 15:0_22:4PC 15:0_22:4ME769071--3.609-
PC(16:0/16:0)PC 16:0/16:0ME769602--3.726-
PC 17:0_16:2PC 16:2_17:0ME769004--3.728-
PC 18:1_16:2PC 16:2_18:1ME769421--3.722-
PC 19:1_16:3PC 16:3_19:1ME769396--3.428-
PC 20:1_16:2PC 16:2_20:1ME769917--3.745-
PC 21:1_16:2PC 16:2_21:1ME770406--3.658-
PC 8:0_23:0PC 8:0_23:0ME770407--3.795-
PC 8:0_25:0PC 8:0_25:0ME770020--3.699-
PC 8:0_28:3PC 8:0_28:3ME769592--3.722-
PC 9:0_22:1PC 9:0_22:1ME770151--3.769-
PC 9:0_24:1PC 9:0_24:1ME770414--3.72-
PC 9:0_26:1PC 9:0_26:1ME769508--3.646-
PC O-15:0PC O-15:0ME770711--5.216-
PC O-16:0PC O-16:0ME770574--5.22-
PC O-17:0PC O-17:0ME770834--5.163-
PC O-18:1PC O-18:1ME770952--5.128-
PC O-20:1PC O-20:1ME770939--5.035-
PC O-20:3PC O-20:3ME770508--5.028-
PC O-30:0PC O-30:0ME769984--3.795-
PC O-32:0PC O-32:0ME769053--3.695-
PC O-32:1PC O-32:1ME769670--3.675-
PC O-33:1PC O-33:1ME769089--3.678-
PC O-34:1PC O-34:1ME769867--3.651-
PC O-34:2PC O-34:2ME770241--3.556-
PC O-34:3PC O-34:3ME769717--3.395-
PC O-36:3PC O-36:3ME769340--3.607-
PC O-36:4PC O-36:4ME769018--3.35-
PC O-36:5PC O-36:5ME770000--3.25-
PC O-38:4PC O-38:4ME769575--3.572-
PC O-38:6PC O-38:6ME769693--3.522-
PE 10:0_19:0PE 10:0_19:0ME769476--4.102-
PE 10:0_22:1PE 10:0_22:1ME769650--3.998-
PE 19:0_13:1PE 13:1_19:0ME769051--3.697-
PE 20:0_13:1PE 13:1_20:0ME769136--3.663-
PE 8:0_22:0PE 8:0_22:0ME770033--3.813-
PEIMININEPeiminineME770628--5.236-
PELLITORINE-ME769701--0.909-
PENTADECANOYL-EAPentadecanoyl-EAME770154--0.965-
PENTYLENETETRAZOLEPentylenetetrazoleME769212--2.887-
PE O-15:1_15:0PE O-15:1/15:0ME769456--3.932-
PE O-16:1_15:0PE O-16:1/15:0ME769557--3.899-
PE O-16:1_18:1PE O-16:1/18:1ME770009--3.507-
PE O-16:1_18:2PE O-16:1/18:2ME770022--3.814-
PE O-16:1_2:0PE O-16:1/2:0ME770886--5.976-
PE O-16:1_20:3PE O-16:1/20:3ME770081--3.765-
PE O-16:1_20:4PE O-16:1/20:4ME770359--3.696-
PE O-16:2_16:1PE O-16:2/16:1ME769410--3.518-
PE O-18:1_20:4PE O-18:1/20:4ME770213--3.276-
PE O-18:1_22:6PE O-18:1/22:6ME769501--3.275-
PETROMYZONOLPetromyzonolME769105--1.133-
PGE1-EAPGE1-EAME769429--2.33-
PHE GLY GLYPhe-Gly-GlyME769775--10.08-
PHENIBUT-ME770541--6.045-
PHENPROMETHAMINE-ME770495--7.258-
PHENYLEPHRINEPhenylephrineME770099--5.464-
PHENYLETHYLAMINEPhenylethylamineME769085--4.142-
PHEOPHORBIDE APheophorbide aME770726--1.051-
PHE PHEPhe-PheME769351--7.29-
PHE VAL LYSPhe-Val-LysME770789--11.695-
PHYTOSPHINGOSINEPhytosphingosineME768994--4.66-
PIBERALINE-ME770825--5.266-
PI-CER 34:0;3OIPC 34:0;O3ME769809--5.617-
PI-CER 35:0;3OIPC 35:0;O3ME770358--5.573-
PI-CER 36:0;3OIPC 36:0;O3ME769115--5.528-
PILOCARPINEPilocarpineME768932--2.61-
PIPECOLIC ACIDPipecolic acidME768895--9.07-
PIPENZOLATE-ME770270--2.923-
PIPERIDINE-2,6-DICARBONITRILE-ME770921--5.33-
PIPERIDINE-3-CARBOXAMIDE-ME770516--9.965-
PIPERIDINE-3-CARBOXYLIC ACID-ME770317--7.956-
PIPERINEPiperineME769767--0.941-
POLYGODIAL-ME769060--1.836-
PRAZEPAMPrazepamME769765--1.071-
PREGABALINPregabalinME769059--5.748-
PREGNENOLONEPregnenoloneME770744--3.897-
PRETILACHLOR-ME770390--2.191-
PRO ALAPro-AlaME769285--10.164-
PROGESTERONEProgesteroneME768939--0.908-
PRO GLY PROPro-Gly-ProME770513--11.513-
PRO-HYDROXYPROPro-hydroxyProME770741--11.809-
PROPAN-2-YL (Z)-7-[(1R,2R,3R)-3-OXIDANYL-5-OXIDANY...-ME769804--0.936-
PROPANE-1,3-DIOLPropane-1,3-diolME770403--5.241-
PSYCHOTRINEPsychotrineME769782--3.082-
PYRIDINE-2,4-DICARBOXYLIC ACID DIETHYL ESTER-ME769757--2.746-
PYRIDINE-3,4-DICARBOXYLIC ACID-ME769758--5.889-
PYRIDINE-4-CARBOXAMIDE-ME770200--5.859-
PYRIDOXAL 5'-PHOSPHATEPyridoxal 5'-phosphateME770720--1.712-
PYRIDOXAMINEPyridoxamineME768918--9.367-
PYRIDOXINEPyridoxineME769687--3.354-
PYRROLIDIN-1-IUM-2-CARBOXYLATE-ME768925--9.162-
QUETIAPINEQuetiapineME770172--2.635-
QUINOLIN-4-OL-ME768929--1.373-
QUINOLINE-2,8-DIOLQuinoline-2,8-diolME770477--1.8-
QUINOLINIC ACIDQuinolinic acidME770577--3.252-
RAC-2,3-DIHYDROXYPROPYL (9Z,12Z,15Z)-OCTADECA-9,12...-ME769343--1.016-
RANITIDINERanitidineME768953--4.757-
REBOXETINE-ME769153--3.557-
RETRORSINE-ME769072--2.316-
RIBOFLAVINRiboflavinME768859--5.916-
SACCHAROPINESaccharopineME770428--13.458-
S-ALLYLCYSTEINES-AllylcysteineME770432--8.292-
SALSOLINOLSalsolinolME769467--4.237-
SARSASAPOGENIN-ME769357--1.374-
SCHAFTOSIDE-ME769728--7.984-
SENKIRKINESenkirkineME769440--3.953-
SERINESerineME769750--9.541-
SINAPINESinapineME769449--2.884-
SINAPOYL ALDEHYDESinapoyl aldehydeME769159--1.626-
SL 23:2;O/21:2-ME770327--4.071-
SL 26:3;O/24:3-ME769374--4.411-
SM 13:0;2O/20:1SM 13:0;O2/20:1ME769921--4.871-
SM 14:1;2O/20:1SM 14:1;O2/20:1ME769107--4.834-
SM 18:2;2O/22:1SM 18:2;O2/22:1ME770447--4.693-
SM 24:0;2O/8:0SM 24:0;O2/8:0ME769394--4.745-
SM 28:2;2O/10:0SM 28:2;O2/10:0ME770148--4.741-
SM 28:2;2O/6:0SM 28:2;O2/6:0ME770237--4.825-
SM 29:1;2O/3:0SM 29:1;O2/3:0ME769537--4.896-
SM 36:1;2O(FA 26:1)-ME769298--4.783-
SM 9:0;2O/25:0SM 9:0;O2/25:0ME770008--4.651-
SM(D18:1/18:1)SM 18:1;O2/18:1ME769778--4.761-
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME768944--12.103-
SOLANIDINESolanidineME769562--2.798-
SOLASODINESolasodineME769629--2.181-
SOYASAPONIN IISoyasaponin IIME769468--4.007-
SPERMIDINESpermidineME769040--7.914-
SPHINGANINESphinganineME769859--4.129-
SPHINGOSINESphingosineME770290--4.407-
SPHINGOSINE-1-PHOSPHOCHOLINELSM 18:1;O2ME769544--3.662-
SPINACETIN 3-GENTIOBIOSIDESpinacetin 3-gentiobiosideME770480--8.004-
SPIRO[INDOLINE-3,3'-PYRROLIDINE]-2-ONE-ME769311--4.58-
ST 24:1;O4;G/18:2-ME770755--1.583-
STEAROYL-EAStearoyl-EAME769858--0.985-
SUCCINIC ACID O1-METHYL ESTER O4-[[(5R,9S,13S)-5,9...-ME770531--3.536-
SULFAMETHOXAZOLESulfamethoxazoleME770652--1.182-
SULFAMIC ACID [(1R,2S,6S,9R,11S)-4,4,11-TRIMETHYL-...-ME770056--5.118-
SULFAMIC ACID [(2S,6S,9R)-4,4,11,11-TETRAMETHYL-3,...-ME770668--0.989-
SYMMETRIC DIMETHYL-L-ARGININESymmetric dimethylarginineME770605--12.688-
TANGERETINTangeretinME770163--0.993-
TAURINETaurineME768960--9.434-
TAUROCHOLIC ACIDTaurocholic acidME768954--6.752-
TERFENADINETerfenadineME769382--2.978-
TERT-BUTYL 2-OXOPIPERIDINE-1-CARBOXYLATE-ME770161--1.308-
TERT-BUTYL(3-PYRIDYLMETHYL)AMINE-ME769970--3.199-
TETRABUTYLAZANIUM-ME769276--1.92-
TETRADECANEDIOIC ACIDTetradecanedioic acidME768893--1.23-
TETRAHYDROCORTISOLTetrahydrocortisolME769023--1.662-
TG O-20:4_20:2_20:2TG O-20:4_20:2_20:2*ME769261--1.165-
THIAMINEThiamineME769576--5.43-
THIAMINE MONOPHOSPHATEThiamine monophosphateME770611--7.039-
THIOBENZOIC ACID S-[(Z)-2-[(4-AMINO-2-METHYL-PYRIM...-ME769129--6.596-
THIOPERAMIDE-ME769958--1.756-
THR VAL LEUThr-Val-LeuME769095--7.672-
THYMIDINEThymidineME768896--2.438-
TIOTROPIUMTiotropiumME770685--1.471-
TRANS-3-HYDROXYCOTININEtrans-3-HydroxycotinineME770330--3.202-
TRANS-ZEATINtrans-ZeatinME770844--5.514-
TRAUMATIC ACIDTraumatic acidME768913--1.071-
TRAZODONETrazodoneME769890--3.76-
TREHALOSETrehaloseME768890--12.684-
TRIETHYL(HEXYL)AMMONIUM-ME769338--2.99-
TRIGONELLINETrigonellineME768957--8.368-
TRIMETHOPRIMTrimethoprimME769473--4.66-
TRIMETHYL(2-{[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIENO...-ME769307--3.648-
TRIMETHYL(2-{[(2R)-2-[(9Z)-OCTADEC-9-ENOYLOXY]-3-(...-ME770431--3.705-
TRIMETHYL(2-{[(2R)-2-(OCTADECANOYLOXY)-3-(PENTADEC...-ME770092--3.542-
TRIMETHYL(2-{[(2R)-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]-2...-ME769257--3.589-
TRIMETHYL(2-{[(2R)-3-[(9Z)-OCTADEC-9-ENOYLOXY]-2-(...-ME769603--3.527-
TRIMETHYL(2-{[(2R)-3-(OCTADECANOYLOXY)-2-(TETRADEC...-ME769772--3.806-
TRIPELENNAMINETripelennamineME770145--2.809-
TRIPHENYLPHOSPHANE OXIDE-ME769295--1.057-
TRIPHENYL PHOSPHATETriphenyl phosphateME770356--0.841-
TRIS(2-BUTOXYETHYL) PHOSPHATE-ME770281--0.913-
TRIS[2-(DIMETHYLAMINO)ETHYL]AMINE-ME770215--3.462-
TRYPTAMINETryptamineME769029--4.498-
TUBERONIC ACID GLUCOSIDETuberonic acid glucosideME769528--6.853-
TYRAMINETyramineME768879--5.371-
TYROSINETyrosineME768927--9.101-
UREIDOPROPIONIC ACIDUreidopropionic acidME768900--5.07-
UROCANIC ACIDUrocanic acidME768909--3.168-
VAL GLY VALVal-Gly-ValME770350--10.269-
VALIDAMYCINValidamycinME770636--10.975-
VAL PRO LEUVal-Pro-LeuME769793--7.721-
VALSARTANValsartanME768985--2.422-
VAL VAL LYSVal-Val-LysME770487--12.916-
VANCOMYCIN-ME769770--9.702-
VERATRIDINEVeratridineME769320--5.226-
VERBENALIN-ME769430--4.352-
VINCOSAMIDE-ME769638--3.722-
VINYLPYRAZINE-ME770554--11.925-
VITEXINVitexinME770079--5.012-
XANTHINEXanthineME769672--5.059-
XANTHOSINEXanthosineME770135--6.326-
(~{Z},12~{R})-12-HYDROXYOCTADEC-9-ENOIC ACID METHY...-ME770321--0.951-
(Z)-16-(ETHYLCARBAMOYLAMINO)HEXADEC-11-ENOIC ACID-ME769861--2.653-
(Z)-2-DEC-9-ENYLPENT-2-ENEDIOIC ACID-ME769334--1.081-
(Z,2E,4E)-5-(2H-1,3-BENZODIOXOL-5-YL)-N-(2-METHYLP...-ME770252--0.967-
(Z)-2-METHYL-2-BUTENOIC ACID [(1R,2S,6S,9S,10R,11S...-ME769225--5.12-
(Z)-2-METHYLBUT-2-ENOIC ACID [(1AR,2S,2AS,5R,5AS,6...-ME770286--1.123-
(Z)-3-(3,4-DIMETHOXYPHENYL)-2-(3-PYRIDYL)ACRYLONIT...-ME769223--2.24-
(Z)-3-(4-HYDROXYPHENYL)-N-[4-[[(Z)-3-(4-HYDROXYPHE...-ME770768--6.228-
(Z)-4-ACETOXY-2-METHYLOL-BUT-2-ENOIC ACID [2-(1-CA...-ME769504--1.623-
(Z)-5,8,11-TRIHYDROXYOCTADEC-9-ENOIC ACID-ME769296--1.941-
(Z)-7-[(1R,2R,3R)-2-[(E,3S,7S)-3,7-DIHYDROXYOCT-1-...-ME770280--1.765-
(Z)-7-[(1R,2R,3R,5S)-3,5-DIHYDROXY-2-(3-KETODECYL)...-ME770352--0.94-
(Z)-7-[(1R,3R,5S)-3,5-DIHYDROXY-2-[(E,3S)-3-HYDROX...-ME769817--1.287-
(Z)-7-[(1S,2S,3S,5R)-3-[(4-IODOPHENYL)SULFONYLAMIN...-ME770824--0.974-
(Z)-9,12,13-TRIHYDROXYOCTADEC-15-ENOIC ACID-ME769247--1.932-
(Z)-OCTADEC-9-ENOIC ACID [(2S)-2-ACETOXY-3-HYDROXY...-ME769916--1.002-


Analysis: HILIC NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
(10)-GINGEROL-ME771057--1.002-
1,1-DIKETO-1,2-THIAZOLIDINE-3-CARBOXYLIC ACID-ME771107--6.41-
11-HYDROXY-9-(HYDROXYMETHYL)-2-(METHOXYCARBONYL)-2...-ME771432--3.936-
11S,12R-EPETRE11S,12R-EpETrEME771151--1.642-
1-(2,4-DIHYDROXYPHENYL)-2-(4-NITROPHENYL)ETHANONE-ME771343--0.962-
1,2-DIETHYL BENZENE-1,2-DICARBOXYLATE-ME771159--1.14-
1-(2-FURFURYL)-5-KETO-PYRROLIDINE-3-CARBOXYLIC ACI...-ME771326--4.08-
1-[2-HYDROXY-4-(3-HYDROXY-5-METHYL-PHENOXY)-6-METH...-ME771160--1.44-
12-HYDROXYJASMONIC ACID12-Hydroxyjasmonic acidME771426--1.283-
1-(2-HYDROXYPHENYL)-2-PYRROLIDONE-ME771350--2.421-
12-KETODEOXYCHOLIC ACID12-Ketolithocholic acidME771119--1.168-
1-(2-PYRIDYL)PYRAZOLE-4-CARBOXYLIC ACID-ME771266--3.141-
(12Z,15Z)-7,9,10-TRIHYDROXYOCTADECA-12,15-DIENOIC ...-ME771655--1.047-
1,3,4,5-TETRAHYDROTHIOPYRAN[4,3-B]INDOLE-8-CARBOXY...-ME771693--5.135-
1-(3,4-DIHYDROXYPHENYL)-6,7-DIHYDROXY-1,2-DIHYDRON...-ME771505--4.777-
1-(3,4-DIHYDROXYPHENYL)-7-(4-HYDROXYPHENYL)HEPTAN-...-ME771330--1.117-
1-(3,4-DIHYDROXYPHENYL)ETHAN-1-ONE-ME771454--0.879-
1,3,5-TRIHYDROXY-4-[(E)-3-(3-HYDROXY-4-METHOXY-PHE...-ME771203--6.598-
1-[4-[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-6-(HYDROXYMET...-ME771120--6.422-
14-HYDROXY-17-(5-KETO-2H-FURAN-3-YL)-3-[4-METHOXY-...-ME771116--3.812-
1-[4-HYDROXY-3-(2-HYDROXYETHYL)PHENYL]ETHANONE-ME771261--1.336-
1-(4-HYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL)-5-ME...-ME770988--2.236-
15,17-DIHYDROXY-9-METHYL-4,10-DIOXATRICYCLO[11.4.0...-ME771096--0.83-
[(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZ...Methanesulfonic acidME771297--3.772-
1,7,8-TRIHYDROXY-3-METHYL-2,3,4,7-TETRAHYDRO-1H-BE...-ME771153--1.33-
1,7-BIS(3,4-DIHYDROXYPHENYL)-6-HYDROXY-HEPTAN-3-ON...-ME771328--1.397-
1,7-BIS(3,4-DIHYDROXYPHENYL)HEPTAN-3-ONE-ME771456--1.67-
1,7-BIS(4-HYDROXYPHENYL)HEPTANE-3,5-DIOL-ME771192--1.274-
1,7-DIMETHYLURIC ACID1,7-Dimethyluric acidME771329--3.593-
1-(9E-HEXADECENOYL)-SN-GLYCERO-3-PHOSPHOCHOLINE-ME771701--5.387-
1-ACETYLISONIPECOTIC ACID-ME771501--2.406-
1-(ALPHA-METHYL-4-(2-METHYLPROPYL)BENZENEACETATE)-...-ME771578--11.299-
1-(CARBOXYMETHYL)CYCLOHEXANECARBOXYLIC ACID-ME771429--1.584-
(1E,6E)-1-(4-HYDROXY-3-METHOXYPHENYL)-7-(4-HYDROXY...-ME771199--1.037-
1-FORMYLPROLINE-ME771613--6.335-
1-HEXADECANOYL-2-(9Z,12Z-OCTADECADIENOYL)-3-O-BETA...-ME771718--1.234-
1-HEXADECANOYL-2-(9Z-HEPTADECENOYL)-SN-GLYCERO-3-P...PC 16:0/17:1(9Z)ME771060--3.659-
1-HEXADECYL-2-(9Z-OCTADECENOYL)-SN-GLYCERO-3-PHOSP...PC O-16:0/18:1ME771434--3.618-
(1-HYDROXYCYCLOPENTYL)(PHENYL)ACETIC ACID-ME771307--1.138-
1-HYDROXYPROPANE-1,2,3-TRICARBOXYLIC ACIDIsocitric acidME771341--9.027-
1-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-3-CARB...Tetrahydroharman-3-carboxylic acidME771856--6.988-
1-METHYLURIC ACID1-Methyluric acidME771752--5.891-
1-METHYLXANTHINE1-MethylxanthineME771315--2.651-
1-NONADECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE-ME771830--5.18-
1-OXIDOPYRIDIN-1-IUM-2-CARBOXYLIC ACID-ME771623--3.087-
(1R,2R)-3-[(S)-AMINO(CARBOXY)METHYL]CYCLOPROPANE-1...-ME771712--1.218-
(1R,2S)-2-[(S)-AMINO(CARBOXY)METHYL]CYCLOPROPANECA...-ME771642--2.542-
(1R,3R,4S,5R)-1,3,4-TRIHYDROXY-5-[(E)-3-(4-HYDROXY...-ME771399--5.607-
(1R,3R,4S,5R)-3-[(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLO...-ME771271--4.398-
(1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26...-ME771322--5.219-
(1R,9S,10S)-3,4-DIHYDROXY-5-ISOPROPYL-11,11-DIMETH...-ME771447--0.98-
(1R,9S)-3,4,8-TRIHYDROXY-5-ISOPROPYL-11,11-DIMETHY...-ME771273--1.038-
(1S)-1,5-ANHYDRO-1-[5,7-DIHYDROXY-2-(4-HYDROXYPHEN...-ME771320--4.897-
(1S)-1,5-ANHYDRO-2-O-(ALPHA-L-RHAMNOPYRANOSYL)-1-[...-ME771299--7.164-
(1S,2R,4S,5S)-6-[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY...-ME771474--11.878-
[(1S,2S,4S,5S,6R,10S)-2-(HYDROXYMETHYL)-10-[(2S,3R...-ME771805--1.07-
(1S,2S,5R,6S)-2-AMINOBICYCLO[3.1.0]HEXANE-2,6-DICA...-ME771815--1.649-
(1S,3R,4R,5R)-1,3,4-TRIHYDROXY-5-[(2E)-3-(4-HYDROX...-ME771083--5.464-
(1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLO...-ME771073--4.891-
(1S,3R,4S,5R)-1,3,5-TRIHYDROXY-4-{[(2E)-3-(4-HYDRO...-ME771488--7.68-
(1S,3R,4S,5R)-4-{[(2E)-3-(3,4-DIHYDROXYPHENYL)PROP...-ME771640--1.798-
(1S,4R,5R)-3-[(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLOYL]...-ME771121--7.071-
20-HDOHE20-HDoHEME771550--0.997-
2-[(10Z)-HEPTADEC-10-EN-1-YL]-6-HYDROXYBENZOIC ACI...-ME771304--1.182-
2-[1-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL...-ME771316--6.449-
2-(14-METHYLPENTADECANOYLAMINO)-3-PHENYL-PROPIONIC...-ME771503--1.181-
2-(16,18-DIKETO-17-AZAPENTACYCLO[6.6.5.02,7.09,14....-ME771357--3.844-
2-[2-[1-[2-[4-[4,5-DIHYDROXY-6-METHYL-3-(3,4,5-TRI...-ME771099--4.755-
2-[2-[2-HYDROXY-5-[(E)-3-HYDROXYPROP-1-ENYL]-3-MET...-ME771430--5.035-
2-[2-(2-METHOXYETHOXY)ETHOXY]ETHANOIC ACID-ME771845--1.625-
2,2,3,3-TETRAFLUOROSUCCINIC ACID-ME771848--9.095-
2-[2-(4-SULFAMOYLPHENOXY)ETHYLTHIO]ACETIC ACID-ME771333--4.651-
2-(2,5-DIKETOTETRAHYDROFURAN-3-YL)ACETIC ACID-ME771710--9.068-
2-[(2-ACETAMIDOACETYL)AMINO]ACETIC ACID-ME771850--9.481-
2-(2-ALLYLPHENOXY)ACETIC ACID-ME771403--0.856-
2-[(2-AMMONIOACETYL)AMINO]HEXANOATE-ME771534--9.286-
2-(2-AMMONIOPROPANOYLAMINO)HEXANOATE-ME771421--8.48-
2,2-DIMETHYLGLUTARIC ACID2,2-Dimethylglutaric acidME771094--1.707-
2-(2-ETHYLBUTANOYLAMINO)-4,5-DIMETHOXY-BENZOIC ACI...-ME771104--1.097-
2-(2-HYDROXY-3H-INDOL-3-YL)ACETIC ACID-ME771222--2.024-
2-[(2-HYDROXY-3-METHYL-BUTANOYL)AMINO]-3-METHYL-BU...-ME771584--2.045-
2-[(2-HYDROXYANILINO)METHYLENE]MALONIC ACID DIETHY...-ME771276--1.134-
2-(2-KETO-4-METHYL-1-QUINOLYL)ACETIC ACID-ME771810--5.028-
2-(2-KETOMORPHOLINO)ACETIC ACID-ME771764--2.032-
2-[(2-PHENYLACETYL)AMINO]-5-UREIDO-VALERIC ACID-ME771169--6.819-
2-(2-PHENYLETHOXY)-6-{[(3,4,5-TRIHYDROXYOXAN-2-YL)...-ME771566--5.603-
(2-{[(2R)-2-[(9Z)-HEXADEC-9-ENOYLOXY]-3-(HEXADECAN...-ME771385--3.488-
(2-{[(2R)-2-HYDROXY-3-[(11Z)-ICOS-11-ENOYLOXY]PROP...-ME771849--5.164-
(2-{[(2R)-2-HYDROXY-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]P...-ME771821--5.373-
(2-{[(2R)-2-HYDROXY-3-[(8Z,11Z,14Z,17Z)-ICOSA-8,11...-ME771637--5.245-
(2-{[(2R)-2-HYDROXY-3-[(9Z,12Z,15Z)-OCTADECA-9,12,...-ME771824--5.398-
(2-{[(2R)-2-HYDROXY-3-[(9Z,12Z)-OCTADECA-9,12-DIEN...-ME771784--5.368-
(2-{[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PRO...-ME771841--5.239-
(2-{[(2R)-2-HYDROXY-3-(ICOSANOYLOXY)PROPYL PHOSPHO...-ME771792--5.142-
(2-{[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)PROPYL PHOS...-ME771661--5.241-
(2-{[(2R)-2-HYDROXY-3-(PENTADECANOYLOXY)PROPYL PHO...-ME771768--5.421-
(2-{[(2R)-2-HYDROXY-3-(TETRACOSANOYLOXY)PROPYL PHO...-ME771781--5.001-
(2-{[(2R)-3-[(1Z)-HEXADEC-1-EN-1-YLOXY]-2-HYDROXYP...-ME771649--5.04-
(2-{[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10...-ME771706--5.207-
(2-{[(2R)-3-[(9Z)-HEXADEC-9-EN-1-YLOXY]-2-[(9Z,12Z...-ME771065--3.35-
(2-{[(2R)-3-(HEPTADECANOYLOXY)-2-HYDROXYPROPYL PHO...-ME771787--5.281-
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z,12Z)-OCTADECA...-ME771241--3.652-
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z)-OCTADEC-9-EN...-ME771513--3.679-
(2-{[(2R)-3-(HEXADECYLOXY)-2-[(9Z,12Z)-OCTADECA-9,...-ME771225--3.366-
2-[(2S,3E,4S)-5-CARBOMETHOXY-3-ETHYLIDENE-2-[(2S,3...-ME771532--6.46-
2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-[[(2S,3R,4S...-ME771808--5.269-
2-{[(2Z)-3-(3,5-DIMETHOXY-4-{[3,4,5-TRIHYDROXY-6-(...-ME771775--8.813-
2-[3-[3-HYDROXY-4-(4-HYDROXYPHENYL)-2,5-DIMETHOXY-...-ME771108--2.827-
2-[3-[4-[2-HYDROXY-2-(4-HYDROXY-3-METHOXY-PHENYL)-...-ME771325--4.692-
2-({[3,4-DIHYDROXY-4-(HYDROXYMETHYL)OXOLAN-2-YL]OX...-ME771405--3.907-
2-[(3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL)...-ME771596--5.2-
2-[(3,4-DIHYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL)...-ME771486--3.736-
2-[(3,4-DIHYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL)...-ME771383--4.523-
2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-{[(2S,3R,4...-ME771356--5.474-
2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-7-METHOXY-4H-CHR...-ME771420--1.173-
2-(3,4-DIMETHOXYPHENOXY)-6-[(3,4,5-TRIHYDROXYTETRA...-ME771595--4.854-
2,3-DIHYDROXY-2-METHYLBUTANOIC ACID2,3-Dihydroxy-2-methylbutanoic acidME771585--3.03-
2,3-DIHYDROXY-3-METHYLBUTANOIC ACID-ME771250--4.445-
2,3-DIKETOINDOLINE-5-CARBOXYLIC ACID-ME771436--3.739-
2,3-DIMETHOXY-5-SULFAMOYL-BENZOIC ACID-ME771843--3.037-
2,3-DIVANILLYLBUTANE-1,4-DIOL-ME771371--1.177-
2-(3-KETO-4H-1,4-BENZOXAZIN-2-YL)ACETIC ACID-ME771175--3.594-
2-[3-METHOXY-4-(SULFOOXY)PHENYL]ACETIC ACIDHomovanillic acid 4-sulfateME771651--1.074-
2-(3-METHYLBENZYL)SUCCINIC ACID-ME771345--1.568-
2,4,6-TRIHYDROXYBENZOIC ACID2,4,6-Trihydroxybenzoic acidME771654--1.284-
2-[(4-AMINO-4-CARBOXY-BUTANOYL)AMINO]-4-METHYL-VAL...-ME771318--10.237-
2,4-BIS(4-HYDROXYPHENYL)CYCLOBUTANE-1,3-DICARBOXYL...-ME771283--3.35-
2-(4-BROMO-2-METHYL-PHENOXY)ACETIC ACID-ME771415--1.785-
2-(4-BROMOPHENOXY)ACETIC ACID-ME771450--1.775-
2,4-DIHYDROXY-3,5,6-TRIMETHYLBENZOIC ACID-ME771337--1.607-
2,4-DIHYDROXY-3,6-DIMETHYL-BENZOIC ACID-ME771480--1.81-
2,4-DIHYDROXYBENZOPHENONE2,4-DihydroxybenzophenoneME771575--1.018-
2-(4-HYDROXYPHENYL)-2-[(2R,3R,4S,5S,6R)-3,4,5-TRIH...-ME771336--5.908-
2-(4-HYDROXYPHENYL)-6-[(E)-2-(4-HYDROXYPHENYL)VINY...-ME771531--1.076-
2-[(4-METHOXY-3,5-DIMETHYL-2-PYRIDYL)METHYLTHIO]-3...-ME771377--2.061-
2-[4-METHYL-7,8-BIS(OXIDANYL)-2-OXIDANYLIDENE-CHRO...-ME771751--4.441-
2-[5-[3,4-DIHYDROXY-6-METHYL-5-(3,4,5-TRIHYDROXY-6...-ME771368--4.628-
(2,5-DIOXOIMIDAZOLIDIN-4-YL)UREAAllantoinME771010--5.173-
2-[[(5Z,8Z,11Z,14Z)-EICOSA-5,8,11,14-TETRAENOYL]AM...-ME771557--2.859-
2-[[6-(4-ALLYLPHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDRO...-ME771348--6.216-
2-(6,7-DIHYDROXY-1-KETO-4-METHYL-PHTHALAN-5-YL)OXY...-ME771744--3.115-
2-(6-HYDROXY-2-KETO-3,8-DIMETHYL-4,5,6,7,8,8A-HEXA...-ME771537--1.444-
2-(6-HYDROXYHEXYL)-3-METHYLENE-SUCCINIC ACID-ME771134--2.06-
2-[[(6-METHOXY-1H-BENZIMIDAZOL-2-YL)THIO]METHYL]-3...-ME771709--3.451-
2,7-ANHYDRO-BETA-D-ALTRO-HEPT-2-ULOPYRANOSE-ME771633--10.843-
2-[[(9~{Z},12~{Z})-OCTADECA-9,12-DIENOYL]AMINO]ACE...-ME771539--1.236-
2-ACETAMIDO-2-DEOXY-D-GALACTITOLN-AcetylgalactosaminitolME771617--7.45-
2-ACETAMIDO-4-(METHYLSULFANYL)BUTANOIC ACID-ME771045--2.726-
2-ACETAMIDOPROPIONIC ACID-ME770998--3.942-
2-ACRYLAMIDOSUCCINIC ACID-ME771459--9.64-
2-AMINO-3-HYDROXYPROPANOIC ACIDSerineME771716--11.958-
2-AMINO-3-METHOXYBENZOIC ACID3-Methoxyanthranilic acidME771448--2.149-
2-AMINO-4-(3-CARBOXYPROPANOYLOXY)BUTYRIC ACID-ME771635--1.976-
2-AMINO-5-CHLORO-4-METHYL-BESYLIC ACID-ME771493--1.287-
2-AMINOBENZENE-1,4-DISULFONIC ACID-ME771699--4.701-
2-AMINOBUTANEDIOIC ACID-ME770965--13.406-
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-E...-ME771376--5.268-
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)...-ME771069--6.083-
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(PENTADECANOYLOXY...-ME771155--5.71-
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(TETRADECANOYLOXY...-ME771416--5.93-
(2-AMINOETHOXY)[(2R)-3-[(9Z)-HEXADEC-9-ENOYLOXY]-2...-ME771144--5.808-
(2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-HYDROXY...-ME771551--5.926-
2-AMINOHEPTANEDIOIC ACID-ME771674--2.916-
2-BENZOYLBENZOIC ACID-ME771156--1.893-
2-BENZYLBUTANEDIOIC ACID-ME770983--1.297-
2-BROMO-5-FLUORO-ISONICOTINIC ACID-ME771487--2.528-
2-[CARBOXYMETHYL(2-HYDROXYETHYL)AMINO]ACETIC ACID-ME771678--9.87-
2-[(CARBOXYMETHYL)AMINO]ACETIC ACIDIminodiacetateME771721--3.507-
2-[(C-HYDROXYCARBONIMIDOYL)(METHYL)AMINO]ACETIC AC...N-CarbamoylsarcosineME771785--5.032-
2-DEOXY-RIBOSE2-Deoxy-riboseME771589--3.003-
(2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-METHOXYPHENYL...-ME771248--1.508-
(2E)-3-(3-HYDROXY-4-METHOXYPHENYL)PROP-2-ENOIC ACI...Isoferulic acidME771396--1.823-
(2E)-3-{4-[(1H-IMIDAZOL-1-YL)METHYL]PHENYL}PROP-2-...-ME771777--6.713-
(2E)-3-[4-(BETA-D-GLUCOPYRANOSYLOXY)PHENYL]PROP-2-...-ME771282--6.551-
(2E)-3-(4-HYDROXY-3-METHOXYPHENYL)-N-[2-(4-HYDROXY...-ME771331--1.215-
(2E,4E)-5-(3,8-DIHYDROXY-7-KETO-1,5-DIMETHYL-6-OXA...-ME771686--1.313-
(2E,6E,10E)-13-[(2R)-6-HYDROXY-2,8-DIMETHYL-CHROMA...-ME771391--1.011-
(2E,6Z)-2,6-DIVANILLYLIDENECYCLOHEXANONE-ME771133--2.221-
2-(ETHYLTHIO)-6-METHOXY-1H-BENZIMIDAZOLE-ME771124--1.919-
2-FORMAMIDO-4-(METHYLTHIO)BUTYRIC ACID-ME771014--3.313-
2-FUROYLGLYCINE2-FuroylglycineME771690--3.298-
2H-BENZOTRIAZOL-4-OL-ME771242--1.22-
(2-HEXADECANOYLOXY-3-TETRADECANOYLOXY-PROPYL) 2-(T...-ME771406--3.588-
2-HEXOXY-6-[(3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL)...-ME771370--4.382-
2-HYDOXYBUTYRIC ACID2-Hydroxybutyric acidME771056--2.47-
2-HYDROXY-2-METHYL-BUTYRIC ACID2-Hydroxy-2-methyl-butyric acidME771303--3.805-
2-HYDROXY-2-(PHENYLFORMAMIDO)ACETIC ACIDalpha-Hydroxyhippuric acidME771631--1.478-
2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACIDIndolelactic acidME771520--1.974-
2-HYDROXY-3-{[3,4,5-TRIHYDROXY-6-({[3,4,5-TRIHYDRO...-ME771796--6.274-
2-HYDROXY-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE-ME771482--2.491-
2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACIDHydroxyphenyllactic acidME771251--3.769-
2-HYDROXY-3-METHYLBUTANOIC ACID2-Hydroxy-3-methylbutyric acidME771004--1.465-
2-HYDROXY-3-PHENYLPROPANOIC ACIDPhenyllactic acidME771031--1.956-
2-HYDROXY-3-(PROPAN-2-YL)BUTANEDIOIC ACID-ME771770--1.986-
2-HYDROXY-5-METHYL-BENZOIC ACID-ME771139--0.964-
2-HYDROXY-6-[(8Z,11Z)-PENTADECA-8,11,14-TRIENYL]BE...-ME771397--0.972-
2-HYDROXY-6-[(Z)-NONADEC-8-ENYL]BENZOIC ACID-ME771230--1.171-
2-HYDROXYBUTANEDIOIC ACID-ME771079--9.014-
2-HYDROXYISOBUTYRIC ACID2-Hydroxyisobutyric acidME771597--2.026-
2-HYDROXYPENTANEDIOIC ACID2-Hydroxyglutaric acidME771208--9.004-
2-HYDROXYVALERIC ACID2-Hydroxyvaleric acidME771247--2.243-
2-(ISOBUTYLAMINO)-2-KETO-ACETIC ACID-ME771691--2.729-
2-ISOPROPYLMALIC ACID2-Isopropylmalic acidME771077--6.013-
2-KETO-2-(METHYLAMINO)ACETIC ACID-ME771161--8.989-
2-KETO-5-METHYL-OXAZOLIDINE-4-CARBOXYLIC ACID-ME771694--6.69-
2-KETO-5-SULFO-1H-PYRIDINE-3-CARBOXYLIC ACID-ME771569--6.302-
2-KETO-6-METHYL-1H-PYRIDINE-4-CARBOXYLIC ACID-ME771729--4.607-
2-KETOGLUTARIC ACID DIETHYL ESTER-ME771327--1.495-
2-LACTAMIDO-3-METHYL-BUTYRIC ACID METHYL ESTER-ME771498--2.333-
2-METHOXYBENZENE-1,4-DIOL-ME771272--1.279-
2-METHYL-3-HYDROXYBUTYRIC ACID2-Methyl-3-hydroxybutyric acidME771477--2.79-
2-METHYL-4-NITRO-BENZOIC ACID-ME771840--1.256-
2-METHYL-6-{[3,4,5-TRIHYDROXY-6-(2-PHENYLETHOXY)OX...-ME771346--4.785-
2-METHYLBUTYRIC ACID [(2R,3R,4S,5S,6R)-4,5-DIHYDRO...-ME771163--8.28-
2-METHYLBUTYRIC ACID [(2R,3S,4S,5R,6R)-3,4,5-TRIHY...-ME771836--9.857-
2-METHYL-GLUTARIC ACID2-Methylglutaric acidME771587--2.129-
2-METHYLOL-6-[(E)-1-METHYL-3-(1,2,4-TRIHYDROXY-2,6...-ME771536--5.314-
2-(OCT-1-EN-3-YLOXY)-6-{[(3,4,5-TRIHYDROXYOXAN-2-Y...-ME771818--4.672-
2'-O-METHYLURIDINE2'-O-MethyluridineME771789--2.036-
2-OXO-4-METHYLTHIOBUTANOIC ACID2-Oxo-4-methylthiobutanoic acidME771788--2.577-
(2R)-2-[[(2S)-2-AMINO-3-METHYL-BUTANOYL]AMINO]OXYS...-ME771270--10.375-
(2R)-2-[[(2S)-2-AZANYL-3-METHYL-BUTANOYL]AMINO]PEN...-ME771462--11.273-
[(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY][2-(...-ME771290--4.996-
(2R)-2,4-BIS(3,4,5-TRIMETHOXYPHENYL)-1,3-DIOXOLANE-ME771146--1.133-
(2R)-2-ACETAMIDO-3-[[(2R)-2-ACETAMIDO-2-CARBOXY-ET...-ME771548--10.652-
(2R)-2-ACETAMIDOHEXANOIC ACID-ME771668--9.019-
(2R)-2-ACETOXY-2-PHENYL-ACETIC ACID-ME771339--1.191-
(2R)-2-AMINO-3-[(5-ACETAMIDO-2-HYDROXYPHENYL)SULFA...-ME771704--9.237-
(2R)-2-HYDROXY-2-METHYLBUTANEDIOIC ACID-ME771833--1.473-
[(2~{R})-3-CETYLOXY-2-ETHOXY-PROPYL] 2-(TRIMETHYLA...-ME771705--5.328-
(2R)-3-HYDROXY-2-(SALICYLOYLAMINO)PROPIONIC ACID-ME771776--2.183-
(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3,4-...-ME771294--4.421-
(2R,3R,3AR,6S,6AR)-2,3,6-TRIHYDROXY-3,3A,6,6A-TETR...-ME771344--6.919-
(2R,3R,4R)-2,3,5-TRIHYDROXY-4-[(2S,3R,4S,5R)-3,4,5...-ME771440--11.089-
(2R,3R,4R,5R)-2,3,5,6-TETRAHYDROXY-4-[(2R,3R,4S,5S...-ME771138--11.872-
(2R,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY...-ME771032--11.52-
(2R,3R,4R,5R,6S)-2-[(4S,6R,7S,8R,9S,13R,14R,16R)-1...-ME771390--3.637-
(2R,3R,4S,5S)-2,3,4,5-TETRAHYDROXYHEXANAL-ME771748--1.494-
(2R,3R,4S,5S,6R)-2-[(2E)-6-HYDROXY-2,6-DIMETHYL-OC...-ME771302--5.875-
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,...-ME771708--14.587-
(2R,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2...-ME771611--1.371-
(2R,3S)-2-HYDROXY-2-(4-HYDROXYBENZYL)-3-[(E)-3-(4-...-ME771599--2.212-
(2R,3S,4R,5R)-2,3,4,5,6,7-HEXAHYDROXYENANTHIC ACID-ME771268--10.498-
(2R,3S,4R,5R)-2,3,4,5-TETRAHYDROXY-6-[(2R,3R,4R,5R...-ME771113--12.06-
(2R,3S,4R,5R)-3,4,5,6-TETRAHYDROXY-2-[[(2S,3R,4R,5...-ME771089--12.695-
(2R,3S,4R,5S)-HEXANE-1,2,3,4,5-PENTOL-ME771780--4.264-
(2R,3S,4S,5R)-2,3,4,5,6-PENTAHYDROXYHEXANAL-ME771641--8.186-
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-DIHYDROXY-4-ME...-ME771191--4.475-
(2R,3S,4S,5R,6R)-2-METHYLOL-6-[[(2R,3S,4S,5R,6R)-3...-ME771244--5.648-
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-DIHYDROXY-4-MET...-ME771803--4.418-
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-DIHYDROXY-4-MET...-ME771829--6.154-
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-DIHYDROXY-4-ME...-ME771359--6.082-
(2R,3S,4S,5R,6S)-2-[(3,4,5-TRIHYDROXYTETRAHYDROPYR...-ME771179--6.307-
[(2R,3S)-5-(2-AMINO-6-KETO-1H-PURIN-9-YL)-3-HYDROX...MethanolphosphateME771295--12.525-
(2S)-1-[(2S)-3-[[(2S)-3-[(2S)-2-CARBOXYPYRROLIDINO...-ME771574--2.263-
(2S)-1-[6-AZANYL-2-[[(2S)-1-OXIDANYL-1-OXIDANYLIDE...-ME771769--11.78-
(2S)-1-ACETYLPYRROLIDINE-2-CARBOXYLIC ACID-ME771636--4.755-
(2S)-2-(2-AZANIUMYLACETAMIDO)-3-PHENYLPROPANOATE-ME771235--9.277-
(2S)-2-[[2-(GLYCYLAMINO)ACETYL]AMINO]-3-METHYL-BUT...-ME771735--11.215-
(2S)-2-[[(2R,3R)-2-AMINO-3-HYDROXY-BUTANOYL]AMINO]...-ME771228--8.798-
(2S)-2-[[(2R,3S)-2-AZANYL-3-METHYL-PENTANOYL]AMINO...-ME771314--8.258-
(2S)-2-[[(2R)-5-KETOPROLYL]AMINO]-3-METHYL-BUTYRIC...-ME771616--4.131-
(2S)-2-{[(2S)-2-AMINO-1-HYDROXYPROPYLIDENE]AMINO}-...-ME771198--12.976-
(2S)-2-[(2S)-2-AMINO-4-CARBAMOYLBUTANAMIDO]PROPANO...-ME771620--12.446-
(2S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-4-METHYL...-ME771538--10.231-
(2S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]BUTANEDIO...-ME771629--10.147-
(2S)-2-[[(2S)-2-AMINO-4-METHYL-PENTANOYL]AMINO]SUC...-ME771148--11.069-
(2S)-2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-4-MET...-ME771098--1.05-
(2S)-2-AMINO-3-(4-HYDROXYPHENYL)PROPIONIC ACID TER...-ME771135--3.626-
(2S)-2-AMINO-4-{[(1S)-1-CARBOXY-3-(METHYLSULFANYL)...-ME771418--12.212-
(2S)-2-AMMONIO-3-(4-TERT-BUTOXYPHENYL)PROPIONATE-ME771437--6.846-
{[(2S)-2-AZANIUMYL-4-METHYLPENTANOYL]AMINO}ACETATE-ME771278--9.075-
(2S)-2-(CARBAMOYLAMINO)-3-PHENYLPROPANOIC ACID-ME771665--4.058-
(2S)-3-(4-HYDROXYPHENYL)-2-[[(9Z,12Z,15Z)-OCTADECA...-ME771129--3.69-
(2S)-3-(4-HYDROXYPHENYL)-2-[[(E)-3-(4-HYDROXYPHENY...-ME771700--3.892-
(2S)-3-(ALPHA-D-GALACTOPYRANOSYLOXY)PROPANE-1,2-DI...-ME771612--1.279-
(2S,3R)-3-HYDROXYPYRROLIDINIUM-2-CARBOXYLATE-ME771593--4.299-
(2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-4,5-DIHYDROXY-6-...-ME771102--4.785-
(2S,3R,4S,5R)-OXANE-2,3,4,5-TETROL-ME771442--3.754-
(2S,3S)-2-(3,4,5-TRIHYDROXYPHENYL)-3,4-DIHYDRO-2H-...-ME771527--2.264-
(2S,3S,4AS)-2,3,7-TRIHYDROXY-9-METHOXY-4A-METHYL-3...-ME771309--1.879-
(2S,3S,4R,5R)-2,3,4,5-TETRAHYDROXY-6-[(2S,3S,4S,5S...-ME771066--12.743-
(2S,3S,4R,5S,6S)-2-[[(2R,3R,4R,5R)-5,6-DIHYDROXY-4...-ME771321--12.056-
(2S,3S,4R,5S,6S)-2-{[(2R,3S,4S,5R,6S)-3,5-DIHYDROX...-ME771063--11.332-
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[[(3S,5S,8R,9S...-ME771323--3.977-
(2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,6AR,6BS,8R,8AR,12AS...-ME771181--5.172-
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6AR,6BS,8AS,12AS,14BR)...-ME771123--9.19-
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-[2-HYDROXY-4-(...-ME771103--7.226-
(2S,3S,4S,5R,6S)-6-[(7-CHLORO-2-HYDROXY-5-PHENYL-3...-ME771624--8.353-
(2S,3S,4S,5R,6S)-6-[(7-CHLORO-2-KETO-1-METHYL-5-PH...-ME771684--7.415-
(2S,4AR,6R,7R,7AS)-6-(6-AMINO-9H-PURIN-9-YL)-7-HYD...-ME771783--3.815-
(2S,4S,5R,6R)-5-ACETAMIDO-2-{[(2S,3R,4S,5S,6R)-2-{...-ME771697--11.747-
(2S)-5-GUANIDINO-2-(LAUROYLAMINO)VALERIC ACID-ME771533--6.717-
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-6-METHYLOL-...-ME771588--5.081-
2-SUCCINIMIDOACETIC ACID-ME771565--9.363-
2-SULFANYLETHANE-1-SULFONIC ACID-ME771563--4.648-
(2Z)-3-(2-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(H...-ME771184--6.515-
(2Z,4E)-5-(1-HYDROXY-2,6,6-TRIMETHYL-4-OXOCYCLOHEX...-ME771240--1.184-
(2Z,4E)-5-[(1R,3R,5R,8S)-3,8-DIHYDROXY-1,5-DIMETHY...-ME771522--1.603-
(2Z)-4-KETO-3-METHOXY-5-METHYL-HEXA-2,5-DIENOIC AC...-ME771813--3.396-
3-(1H-INDOL-3-YL)-2-[(5-OXOPYRROLIDINE-2-CARBONYL)...-ME771754--6.438-
3-[(2,4-DIHYDROXY-3,3-DIMETHYL-BUTANOYL)AMINO]PROP...-ME770982--2.968-
3-(2,4-DIMETHOXYANILINO)-3-KETO-PROPIONIC ACID-ME771600--3.946-
3-(2,6-DIHYDROXY-4-METHYLPHENOXY)-5-METHYLBENZENE-...-ME771449--1.249-
3-(2-HYDROXY-4-METHOXY-6-METHYL-PHENOXY)-5-METHYL-...-ME771238--1.122-
3-(2-HYDROXYPHENYL)PROPANOIC ACID3-(2-Hydroxyphenyl)propanoic acidME771106--1.723-
3-(2-KETOCYCLOHEXYL)PROPIONIC ACID-ME771236--1.212-
3-[(2S,3R,4R,5R,6S)-4,5-DIHYDROXY-6-METHYL-3-[(2S,...-ME771070--6.348-
3-[(2S,4S,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-DIHYDROXY-6...-ME771713--9.116-
3-(3,4-DIETHOXYPHENYL)PROPIONIC ACID-ME771419--0.942-
3-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-4H-CHROMEN-4-ONE-ME771128--1.339-
3-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-8-[(2S,3R,4R,5S,...-ME771630--2.451-
3-(3,4-DIHYDROXYPHENYL)PROPANOIC ACID3,4-Dihydroxyhydrocinnamic acidME771152--1.956-
3-(3,4-DIMETHOXYPHENYL)-1-(2-HYDROXY-4,6-DIMETHOXY...-ME771312--1.312-
3,3-DIMETHYLPENTANEDIOIC ACID-ME770973--1.869-
3-(3-HYDROXY-4-METHOXYPHENYL)PROPANOIC ACIDDihydroisoferulic acidME771571--1.197-
3-(3-HYDROXYBENZOYL)OXY-8-METHYL-8-AZABICYCLO[3.2....-ME771666--1.575-
3-(3-HYDROXYPHENYL)CARBONYLOXY-8-METHYL-8-AZONIABI...-ME771831--1.353-
3-(3-HYDROXYPHENYL)PROPANOIC ACID3-(3-Hydroxyphenyl)propanoic acidME771016--1.275-
3,3'-OXYBIS(5-METHYLBENZENE-1,2-DIOL)-ME771546--1.051-
3-[4-(1-CARBOXYETHYL)PHENYL]-2-METHYLPROPANOIC ACI...CarboxyibuprofenME771137--1.504-
3-{[4,5-DIHYDROXY-6-(HYDROXYMETHYL)-3-{[3,4,5-TRIH...-ME771284--7.75-
3,4-BIS[(3-HYDROXYPHENYL)METHYL]OXOLAN-2-ONE-ME771207--1.061-
3,4-DIHYDROXYBENZALDEHYDE3,4-DihydroxybenzaldehydeME770987--1.493-
3,4-DIHYDROXY-BENZOIC ACID METHYL ESTERMethyl 3,4-dihydroxybenzoateME771117--1.16-
3,4-DIHYDROXYPHENYLGLYCOL3,4-DihydroxyphenylglycolME771717--2.263-
3-(4-HYDROXY-3-METHOXYPHENYL)PROPANOIC ACIDDihydroferulic acidME771085--1.586-
3-(4-HYDROXYBENZYL)-2,3,6,7,8,8A-HEXAHYDROPYRROLO[...-ME771293--2.119-
3-(4-HYDROXYPHENYL)-1-[2,4,6-TRIHYDROXY-3,5-BIS[(2...-ME771496--8.254-
3-(4-HYDROXYPHENYL)-3-KETO-PROPIONIC ACID-ME771204--1.103-
3-(4-HYDROXYPHENYL)-7-{[(2S,3R,4S,5S,6R)-3,4,5-TRI...DaidzinME771695--1.273-
3-[4-METHOXY-2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-...-ME771703--1.248-
3,5,7-TRIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-4H-...-ME771233--1.207-
3,5-DIFLUORO-4-FORMYL-BENZOIC ACID-ME771628--9.695-
3,5-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-7-METH...-ME771319--1.15-
3-(5-FORMYL-2-HYDROXY-PHENOXY)-4-METHOXY-BENZOIC A...-ME771568--1.394-
3-(6-AMINO-9H-PURIN-9-YL)PROPANOIC ACID-ME771763--3.79-
3,6-DIBENZYL-1,4-DIOXANE-2,5-QUINONE-ME771068--1.712-
3,6-DIHYDROXY-4-METHOXY-2-METHYL-BENZOIC ACID [(6R...-ME771524--1.491-
3-(7-METHOXY-1,3-BENZODIOXOL-5-YL)PHENOL-ME771425--0.916-
3-AMINO-2-(4-CHLOROPHENYL)-2-HYDROXY-1-PROPANESULF...-ME771497--9.023-
3-AMINOSALICYLIC ACID3-Aminosalicylic acidME771227--2.854-
3-BROMO-2-CHLORO-6-FLUORO-BENZOIC ACID-ME771087--2.538-
3-(CARBOXYMETHYL)BENZOIC ACID-ME771755--1.534-
3-CHLORO-5-METHYL-PYROCATECHOL-ME771446--0.963-
3-DEHYDROSHIKIMATE3-Dehydroshikimic acidME771782--2.991-
3-DEOXY-D-GLYCERO-D-GALACTO-2-NONULOSONIC ACID3-Deoxy-D-glycero-D-galacto-2-nonulosonic acidME771606--9.432-
3-[(E)-2-NITROPROP-1-ENYL]-1H-INDOLE-ME771086--1.036-
(3E,5E)-2-(4-KETO-4-METHOXY-BUTYL)NONA-3,5-DIENOIC...-ME771392--1.121-
(3E)-HEX-3-ENEDIOIC ACID-ME771047--2.907-
3-FORMYL-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER-ME771457--1.013-
3-FORMYL-2-HYDROXYBENZOIC ACID-ME771544--2.156-
3-GUANIDINOPROPANOIC ACID3-Guanidinopropanoic acidME771262--10.376-
[3-HYDROXY-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-P...-ME771707--5.315-
3-HYDROXY-4-METHOXY-BENZALDEHYDEIsovanillinME771253--0.899-
{3-HYDROXY-5-[(E)-2-(4-HYDROXYPHENYL)ETHENYL]PHENY...-ME771147--1.563-
3-HYDROXY-5-KETO-3-METHYL-5-[4-[(2S,3R,4S,5S,6R)-3...-ME771053--6.301-
3-HYDROXYBENZOIC ACID ISOPROPYL ESTER-ME771469--1.308-
3-HYDROXYMETHYLGLUTARIC ACID3-Hydroxymethylglutaric acidME771332--6.218-
3-HYDROXYNAPHTHALENE-1-SULFONIC ACID-ME771428--1.713-
3-HYDROXYPHENYLACETIC ACID3-Hydroxyphenylacetic acidME770980--1.446-
3-ISOCHROMANONE3-IsochromanoneME771223--1.718-
3-ISOPROPYLCATECHOL3-IsopropylcatecholME771526--2.16-
3-KETO-4,7,7-TRIMETHYL-2-OXABICYCLO[2.2.1]HEPTANE-...-ME771265--1.54-
3-(METHANESULFONAMIDO)BENZOIC ACID-ME771825--4.241-
3-METHYL-2-OXOPENTANOIC ACID3-Methyl-2-oxovaleric acidME771252--2.024-
3-METHYL-6-(METHYLAMINO)-5-NITROSO-URACIL-ME771071--2.47-
3-METHYL-HEXANEDIOIC ACID-ME771023--1.714-
3-PHENYL-1-[2,4,6-TRIHYDROXY-3,5-BIS[(2S,3R,4R,5S,...-ME771349--6.406-
3-PYROGLUTAMOYLTHIAZOLIDINE-4-CARBOXYLIC ACID-ME771802--8.754-
(3R)-3-[(4-CARBOXYBUTANOYL)OXY]-4-(TRIMETHYLAZANIU...-ME771733--2.568-
(3R)-3-[(5-CARBOXYPENTANOYL)OXY]-4-(TRIMETHYLAZANI...-ME771594--2.168-
(3R,4R)-3-AMINO-2-KETO-4-METHYL-AZETIDINE-1-SULFON...-ME771229--9.04-
(3R,4R)-3-HYDROXY-3,4-DIVANILLYL-TETRAHYDROFURAN-2...-ME771562--0.972-
(3R,4S,5R)-3,4,5,6-TETRAKIS(OXIDANYL)-2-OXIDANYLID...-ME771472--10.36-
(3R,4S,5R)-3,4-DIHYDROXY-5-[(1S,2R,3R)-1,2,3,4-TET...-ME771335--10.37-
(3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,...-ME771347--11.87-
(3S)-3-AMINO-3-{[(1S)-1-CARBOXY-2-PHENYLETHYL]CARB...-ME771553--11.529-
(3S,4R,5R)-1,3,4,5-TETRAHYDROXY-6-[(2S,3R,4S,5S,6R...-ME771412--11.9-
(3S,4R,5R)-1,3,5,6-TETRAHYDROXY-4-[(2S,3R,4S,5R,6R...-ME771362--11.985-
(3S,4R,5R)-5-[(1S)-1,2-DIHYDROXYETHYL]-3,4-DIHYDRO...L-GulonolactoneME771790--3.629-
(3S,4S,6AR,6BS,8R,8AR,12AS,14BR)-8-HYDROXY-4,6A,6B...-ME771100--3.662-
(3S,6S)-3-(4-HYDROXYBENZYL)-6-METHYLOL-PIPERAZINE-...-ME771105--3.455-
3-SUCCINIMIDOPROPIONIC ACID-ME771614--2.434-
3-SUCCINOYLPYRIDINE3-SuccinoylpyridineME771670--1.385-
3-SULFOBENZOIC ACID-ME771389--4.392-
3-SULFOPROPANOIC ACID-ME771353--9.336-
4-(1-BUTYLHEPTYL)BESYLIC ACID-ME771154--1.147-
4-[2-[(2-ETHYL-2,3-DIHYDROXY-BUTANOYL)OXYMETHYL]AN...-ME771475--3.811-
4-(2,3-DIHYDRO-1H-PERIMIDIN-2-YL)PYROCATECHOL-ME771400--2.383-
4-[(2-CARBOXYETHYL)AMINO]BUTANOIC ACIDN-Carboxyethyl-gamma-aminobutyric acidME771786--11.142-
4-[(2-HYDROXY-1-NAPHTHYL)AZO]BESYLIC ACID-ME771401--3.208-
4-[2-HYDROXY-2,6,6-TRIMETHYL-4-[(2R,3R,4S,5S,6R)-3...-ME771351--3.639-
4-(2-HYDROXYETHYL)BENZENE-1,2-DIOLHydroxytyrosolME771675--1.313-
4-[[(2R,3R,4R,5S,6R)-3-ACETAMIDO-6-(HYDROXYMETHYL)...-ME771549--13.966-
4-(3,4-DICARBOXYPHENOXY)PHTHALIC ACID-ME771058--4.597-
4-(3,4-DIHYDROXYPHENYL)-6,7-DIHYDROXY-2-NAPHTHOIC ...-ME771567--3.72-
4-[3,5-DIHYDROXY-7-(4-HYDROXYPHENYL)HEPTYL]PYROCAT...-ME771525--2.137-
4-(3,7,12-TRIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,...-ME771076--2.224-
4-(3-HYDROXYPROPYL)-2-METHOXYPHENOL-ME771317--1.206-
4-(3-METHYLOL-4-VANILLYL-TETRAHYDROFURAN-2-YL)PYRO...-ME771438--0.926-
4-(4-AMINOPHENOXY)BENZOIC ACID-ME771149--2.908-
4-(4-PROPAN-2-YL-1-PIPERAZINYL)PHENOL-ME771082--3.45-
4-[5-(6-HYDROXY-5,5,8A-TRIMETHYL-2-METHYLENE-DECAL...-ME771361--1.659-
4-[5-HYDROXY-7-(4-HYDROXYPHENYL)HEPTYL]PHENOL-ME771467--1.104-
4-[6-(4-HYDROXYPHENYL)-1,2,4,5-TETRAZIN-3-YL]PHENO...-ME771608--1.015-
4-(6-KETO-2-METHYL-PYRAN-3-YL)BUTYRIC ACID-ME771382--1.555-
4,8-DIHYDROXY-3,7,8-TRIMETHYL-5,7-DIHYDROPYRANO[4,...-ME771288--2.368-
4-ACETAMIDOBENZOIC ACID4-Acetamidobenzoic acidME771378--2.796-
4-ACETAMIDOBUTANOIC ACID4-Acetamidobutanoic acidME771030--1.917-
4-AMINOTETRAHYDROTHIOPYRAN-4-CARBOXYLIC ACID-ME771504--7.964-
(4AR)-5-HYDROXY-7-ISOPROPYL-6-METHOXY-1,1-DIMETHYL...-ME771393--1.115-
4-BENZOYLOXYBENZOIC ACID-ME771352--1.592-
4-(CHLOROMETHYL)-7-HYDROXY-8-METHYL-COUMARIN-ME771254--1.742-
4-(CHLOROMETHYL)SPIRO[1,3-DIOXOLANE-2,3'-INDOLINE]...-ME771114--1.855-
4-[(CYCLOHEXYLCARBAMOYL)AMINO]BUTANOIC ACID-ME771511--3.529-
4-[CYCLOPROPYL(HYDROXY)METHYLENE]-3,5-DIKETO-CYCLO...-ME771130--3.088-
4-(DIFLUOROMETHOXY)BENZOIC ACID-ME771092--2.216-
4-DODECYLBENZENE-1-SULFONIC ACID-ME771269--0.745-
4-[(E)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-DIHYD...-ME771217--4.442-
4-[(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLOYL]OXY-2,3-DIH...-ME771773--9.36-
4-ETHYL-5-HYDROXY-3,5-DIMETHYL-FURAN-2-ONE-ME771517--1.477-
4-FORMYL-2-HYDROXYBENZOIC ACID-ME771246--1.186-
4-HYDROXY-3-[(4-HYDROXY-2-KETO-6-METHYL-PYRAN-3-YL...-ME771150--1.288-
4-HYDROXY-3,5,5-TRIMETHYL-4-[(1E)-3-[(3,4,5-TRIHYD...-ME771560--6.496-
4-HYDROXY-3-METHOXY-2-NITRO-BENZALDEHYDE-ME771746--12.806-
4-HYDROXY-8-METHOXYQUINOLINE-2-CARBOXYLIC ACID-ME771598--4.645-
4-HYDROXYBENZOIC ACID [(3R,3AS,4S,8AR)-3-HYDROXY-3...-ME771122--0.966-
4-HYDROXYBENZOIC ACID [(3R,4S,8S,8AS)-3-HYDROXY-3-...-ME771334--0.996-
4-HYDROXYBENZOIC ACID [(3S,4R,5S)-5-[(2S,3R,4S,5S,...-ME771632--4.741-
4-HYDROXYHIPPURIC ACID4-Hydroxyhippuric acidME771853--5.767-
4-HYDROXY-L-GLUTAMIC ACID4-Hydroxy-L-glutamic acidME771643--1.743-
4-HYDROXYPHENYLPYRUVIC ACID4-Hydroxyphenylpyruvic acidME771260--4.033-
4-KETO-1H-PYRIDINE-3-CARBOXYLIC ACID-ME771601--1.572-
4-KETO-1H-QUINOLINE-2-CARBOXYLIC ACID ETHYL ESTER-ME771791--6.259-
4-KETO-1H-QUINOLINE-3-CARBOXYLIC ACID-ME771663--6.23-
4-KETO-2-METHYL-1H-QUINOLINE-6-CARBOXYLIC ACID ETH...-ME771556--2.104-
4-KETODODECANEDIOIC ACID-ME771197--1.206-
4-KETOPIMELIC ACID-ME771794--1.796-
4-METHOXY-3-(METHYLSULFAMOYL)BENZOIC ACID-ME771835--2.614-
4-METHOXYBENZOIC ACIDp-Anisic acidME771559--1.481-
4-METHYLPIPERIDINE-2,6-QUINONE-ME771740--2.084-
4-O-P-COUMAROYLQUINIC ACID-ME771338--5.618-
4-OXODECANEDIOIC ACID-ME771838--1.517-
4-PYRIDOXIC ACID4-Pyridoxic acidME771209--4.242-
(4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-9,16-DIH...-ME771342--1.507-
(4R)-4-[(3R,5S,9S,10S,12S,13R,14S,17R)-3,12-DIHYDR...-ME771409--1.634-
(4S)-2BETA,3BETA-DIHYDROXYOLEAN-12-ENE-23,28-DIOIC...-ME771216--2.76-
(4S)-4-AMINO-2,2-DIMETHYL-GLUTARIC ACID-ME771193--10.672-
(4S)-4-AMINO-4-{[(1S)-1-CARBOXY-2-(4-HYDROXYPHENYL...-ME771547--12.079-
(4S)-4-AMINO-4-{[(1S)-1-CARBOXY-2-METHYLPROPYL]CAR...-ME771435--11.999-
(4S)-4-AMINO-4-{[(1S)-1-CARBOXY-2-PHENYLETHYL]CARB...-ME771837--10.588-
(4S)-4-AMINO-4-{[(1S)-1-CARBOXYETHYL]CARBAMOYL}BUT...-ME771679--12.745-
(4S)-4-AMINO-5-HYDROXY-VALERIC ACID-ME771245--9.862-
(4S,5R,6R,7S,8R)-4,6,7,8,9-PENTAHYDROXY-5-[(1-HYDR...-ME771256--12.663-
(4Z)-3,5,5-TRIMETHYL-4-[3-[(2R,3R,4S,5S,6R)-3,4,5-...-ME771410--5.105-
(4Z,7Z,10Z,13Z,16Z)-N-(2-HYDROXYETHYL)DOCOSA-4,7,1...-ME771234--0.888-
5,13,17-TRIHYDROXY-9,15-DIKETO-7-METHYL-12-METHYLO...-ME771759--1.156-
5-[(2-CHLOROACETYL)AMINO]-2-HYDROXY-BENZOIC ACID-ME771489--1.962-
5-[(2R,3S,4S)-4,6-DIHYDROXY-2-[(E,3S)-3-HYDROXYOCT...-ME771279--2.378-
5-[[(2R,3S,4S,5R,6R)-6-ETHOXY-3,4,5-TRIS(OXIDANYL)...-ME771839--9.156-
5-[[(2R,3S,4S,5R,6S)-3,4-DIHYDROXY-6-[5-HYDROXY-2-...-ME771723--5.28-
5-[4-[(E)-3-CARBOXY-3-HYDROXYPROP-1-ENYL]-4-HYDROX...-ME771502--4.057-
5-(4-FLUOROPHENYL)-1-[2-[(2R,4R)-4-HYDROXY-6-OXOOX...-ME771310--1.273-
5-(4-FLUOROPHENYL)-N-(4-HYDROXYPHENYL)-1-[2-[(2R,4...-ME771257--1.299-
5-(4-HYDROXYPENTYL)RESORCINOL-ME771365--2.089-
5,6-EPETRE5,6-EpETrEME771471--1.695-
5,7-DIHYDROXY-2-[4-HYDROXY-3-[(2S,3R,4S,5R)-3,4,5-...-ME771061--4.117-
5,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-3,4-DI...-ME771168--1.095-
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-CHROMEN...-ME771422--6.532-
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-CHROMEN...-ME771627--1.289-
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6-(3,4,5-TRIHYDR...-ME771388--6.556-
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6,8-BIS[3,4,5-TR...-ME771157--9.55-
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6,8-BIS(3,4,5-TR...-ME771277--7.119-
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-8-[3,4,5-TRIHYDR...-ME771354--8.158-
5,7-DIHYDROXY-3-(3-HYDROXY-4-METHOXYPHENYL)-4H-CHR...-ME771164--1.126-
5-ACETAMIDO-2-HYDROXYBENZOIC ACID5-Acetamido-2-hydroxybenzoic acidME771177--3.717-
5-ACETAMIDO-4-KETO-HEXANOIC ACID-ME771761--1.689-
5-ACETYLAMINO-6-AMINO-3-METHYLURACIL5-Acetylamino-6-amino-3-methyluracilME771369--4.803-
5-ACETYLAMINO-6-FORMYLAMINO-3-METHYLURACIL5-Acetylamino-6-formylamino-3-methyluracilME771402--4.906-
5.ALPHA.-PREGNAN-3.ALPHA.,17-DIOL-20-ONE 3-SULFATE-ME771313--1.634-
5-AMINOIMIDAZOLE-4-CARBOXAMIDE5-Aminoimidazole-4-carboxamideME770974--3.587-
5-CHLORO-N-{[(5S)-2-OXO-3-[4-(3-OXOMORPHOLIN-4-YL)...RivaroxabanME771685--1.123-
5'-DEOXYADENOSINE5'-DeoxyadenosineME771521--4.814-
5-[(E)-2-(3-HYDROXY-4-METHOXY-PHENYL)VINYL]RESORCI...-ME771364--1.24-
5-ETHANOYL-8-OXIDANYL-1H-QUINOLIN-2-ONE-ME771366--2.617-
5-FORMYL-2-HYDROXY-BESYLIC ACID-ME771797--0.871-
5-GLUTAMYL-ALANINEgamma-GlutamylalanineME771827--4.857-
5-HYDROXY-1,7-BIS(4-HYDROXYPHENYL)HEPTAN-3-ONE-ME771555--1.16-
5-HYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-4-OXO-4H-C...-ME771702--1.185-
5-HYDROXY-2-(5-KETOTETRAHYDROFURAN-2-YL)-2-METHYL-...-ME771463--1.448-
5-HYDROXY-7-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-[...-ME771762--2.205-
5-HYDROXY-7-(4-HYDROXY-3-METHOXY-PHENYL)-1-(4-HYDR...-ME771494--1.094-
5-HYDROXYISOPHTHALIC ACID-ME771756--1.442-
5-HYDROXYPSEUDOBAPTIGENIN-ME771084--1.178-
5-KETO-1-[3-(TRIFLUOROMETHYL)PHENYL]PYRROLIDINE-3-...-ME771698--3.408-
5-METHOXYURIDINE-ME771857--3.924-
5-OXOTETRAHYDROFURAN-2,3-DICARBOXYLIC ACIDIsocitric acid lactoneME771460--7.883-
(5S)-5-METHYLIMIDAZOLIDINE-2,4-DIONE-ME771811--3.391-
5S-HETE5S-HETEME771258--1.016-
5Z,8Z,11Z,14Z-EICOSATETRAENEDIOIC ACID20-Carboxy-arachidonic acidME771075--1.663-
6-(2-PROPARGYLOXYPHENYL)HEXANOIC ACID-ME771118--1.298-
6-[4-[2-(2-HYDROXYETHOXY)ETHYL]PIPERAZINO]BENZO[B]...-ME771476--4.516-
6-[[4,4,6A,6B,11,11,14B-HEPTAMETHYL-8A-(3,4,5-TRIH...-ME771455--4.405-
6-{[4-FORMYL-2-HYDROXY-4,6A,6B,11,11,14B-HEXAMETHY...-ME771395--4.816-
6,7-DIHYDROXY-3-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE-ME771176--1.005-
6-AMINO-7H-PURIN-8-OL8-HydroxyadenineME771408--5.23-
6-AMINOPYRIDINE-3-CARBOXYLIC ACID-ME771851--3.317-
(6E,10Z,14E)-2-KETO-6,14-DIMETHYL-3-METHYLENE-3A,4...-ME771439--0.97-
(6E,8E)-3-HYDROXY-10-KETO-4,9-DIMETHYL-10-(2,3,4,5...-ME771653--2.39-
(6E,8E)-3-HYDROXY-10-KETO-4,9-DIMETHYL-10-[(2S,3R,...-ME771676--2.642-
6-HYDROXY-8-[(1R)-1-HYDROXY-2-{[1-(4-METHOXYPHENYL...-ME771111--4.014-
6-METHOXY-2-METHYL-2-OXIDO-SPIRO[3,4-DIHYDROISOQUI...-ME771180--3.923-
6-METHOXY-7H-PURIN-2-AMINE-ME771097--4.797-
6-METHYL-2-[(4-METHYLPHENYL)AMINO]-3,1-BENZOXAZIN-...-ME771178--0.944-
6-PIPERAZINO-7H-PURINE-ME771622--2.771-
7,11B-DIHYDROINDENO[2,1-C]CHROMENE-3,4,6A,9,10(6H)...-ME771515--1.62-
7-[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-6-METHYLOL-3-[(2...-ME771798--8.136-
7-(3,4-DIHYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL)O...-ME771535--3.204-
7-{[4,5-DIHYDROXY-6-(HYDROXYMETHYL)-3-[(3,4,5-TRIH...-ME771725--4.207-
7-[4,5-DIHYDROXY-6-METHYLOL-3-[(2S,3R,4R,5R,6S)-3,...-ME770971--5.285-
7.ALPHA.,17.ALPHA.-DIMETHYL-5.BETA.-ANDROSTANE-3.A...-ME771742--6.701-
7-HYDROXY-3-(2-HYDROXYETHYL)-4-METHYL-2H-CHROMEN-2...-ME771473--0.889-
7-METHYL-1-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-ME...-ME771615--1.169-
(7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TR...-ME771590--5.35-
(7R)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-(HEXADECAN...-ME771259--3.714-
8-[(1R,2S)-2-(2-CARBOXYETHYL)-5-KETO-CYCLOPENT-3-E...-ME771264--3.05-
8-[(2R,3R,4R,5S,6R)-6-(HYDROXYMETHYL)-5-[(2S,3R,4S...-ME771722--8.204-
8-[(4AR,5R,7AS)-2,6-DIOXO-3,4,4A,5,7,7A-HEXAHYDROC...-ME771267--3.119-
8,9-DIHETRE8,9-DiHETrEME771127--2.094-
8-HYDROXY-5-QUINOLINECARBOXYLIC ACID-ME771669--6.247-
8-METHOXY-2,3-DIMETHYLOL-1-(3,4,5-TRIMETHOXYPHENYL...-ME771182--2.814-
(8Z,11Z,14Z,17Z)-5,6-DIHYDROXYEICOSA-8,11,14,17-TE...-ME771484--2.853-
9-[3,4-DIHYDROXY-5-[(METHYLTHIO)METHYL]TETRAHYDROF...-ME771188--4.527-
9-[3-HYDROXY-5-(HYDROXYMETHYL)-4-METHOXYOXOLAN-2-Y...-ME771054--4.988-
9-GLYCERYLOXY-9-KETO-PELARGONIC ACID-ME771090--3.096-
9-HYDROXY-2,6,12-TRIMETHYL-12-[2-(3,4,5-TRIHYDROXY...-ME771846--6.18-
9-HYDROXY-NONANOIC ACID-ME771581--1.19-
9-KETO-9-METHOXY-PELARGONIC ACID-ME771491--1.293-
9-METHOXY-7-[4-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-...-ME771158--6.523-
(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOIC ACID [2-HYD...-ME771206--1.728-
ACAMPROSATEAcamprosateME771580--5.069-
ACESULFAMEAcesulfameME771844--1.091-
ACETIC ACID [(2R,3S,4S,5R,6S)-6-[3,5-DIHYDROXY-2-[...-ME771506--3.415-
ACETIC ACID [5-(3,4-DIHYDROXYPHENYL)-1-[2-(3,4-DIH...-ME771464--2.372-
ACETIC ACID [5-(3,4-DIHYDROXYPHENYL)-1-[2-(4-HYDRO...-ME771201--1.078-
ADIPIC ACIDAdipic acidME771036--1.939-
ALA PROAla-ProME771826--10.821-
ALLANTOIC ACIDAllantoic acidME771732--5.172-
ALPHA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GALACTOP...-ME771194--12.608-
ALPHA-D-GALACTOPYRANOSYL-(1->6)-ALPHA-D-GALACTO...-ME771173--13.571-
ALPHA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-D-GLUCOPYRA...-ME771424--13.062-
ALPHA-D-MANNOPYRANOSYL-(1->3)-D-MANNOPYRANOSE-ME771386--11.898-
ALPHA-N-PHENYLACETYLGLUTAMINEalpha-N-PhenylacetylglutamineME770991--5.847-
AMINOSALICYLIC ACIDAminosalicylic acidME771038--1.322-
AMPAAmpaME771801--8.788-
ANACARDIC ACIDAnacardic acidME771255--0.969-
ANDROSTERONE 3-GLUCURONIDEAndrosterone 3-glucuronideME771807--6.436-
APIGENINApigeninME771000--1.244-
APIINApiinME771731--5.574-
ARABINONIC ACIDArabinonic acidME771398--10.34-
ARABINOSEArabinoseME771374--9.069-
ARGININEArginineME771006--13.717-
BENZENESULFONIC ACID-ME771443--3.79-
BENZOIC ACIDBenzoic acidME771509--2.423-
BETA-D-FRUCTOFURANOSYL ALPHA-D-GLUCOPYRANOSYL-(1-&...-ME771172--13.116-
BETA-D-GALACTOPYRANOSYL-(1->4)-D-MANNOPYRANOSE-ME771183--11.867-
BETA-D-GLUCOPYRANOSYL ALPHA-D-GLUCOPYRANOSIDE-ME770985--12.727-
BETA-GLYCEROPHOSPHORIC ACIDsn-Glycero-2-phosphateME771132--11.96-
BILIRUBINBilirubinME770960--0.952-
CAR(DC5:0(3ME))CAR DC5:0;3MeME771645--2.194-
CARGLUMIC ACIDCarglumic acidME771274--12.576-
CARNOSINECarnosineME770967--13.961-
CATECHINCatechinME771363--3.163-
CATECHIN 7-O-APIOFURANOSIDE-ME771358--4.856-
CER 17:0;2O/17:0;(3OH)Cer 17:0;O2/17:0;3OHME771750--0.984-
CER 18:0;2O/17:0;(3OH)Cer 18:0;O2/17:0;3OHME771621--1.035-
CER 19:0;2O/17:0;(3OH)Cer 19:0;O2/17:0;3OHME771728--0.98-
CHLOROTHIAZIDEChlorothiazideME771667--1.31-
CHOLESTEROL SULFATECholesterol sulfateME770958--1.033-
CIRSIMARITINCirsimaritinME771561--1.056-
CIS-4-HYDROXYPROLINEcis-4-HydroxyprolineME771009--10.317-
CITRACONIC ACIDCitraconic acidME771647--1.516-
CITRULLINECitrullineME771018--12.51-
COATLINE A-ME771115--5.064-
COATLINE B-ME771287--6.49-
COPROCHOLIC ACIDCoprocholic acidME771110--1.722-
COPROPORPHYRIN ICoproporphyrin IME771483--4.185-
CORTISOL 21-SULFATECortisol 21-sulfateME771243--4.104-
CREATINECreatineME770968--10.378-
CURCUMINCurcuminME771478--0.993-
CYCLOHEXANE-1,3-DICARBOXYLIC ACID-ME771518--1.657-
CYSTEIC ACIDCysteic acidME771046--12.912-
CYSTEINE-S-SULFATECysteine-S-sulfateME771726--10.445-
CYTIDINECytidineME771027--7.225-
DAIDZEINDaidzeinME771050--1.017-
DAMPdAMPME770996--12.679-
D-ASPARAGINED-AsparagineME770970--12.131-
DEHYDROEPIANDROSTERONE SULFATEDehydroepiandrosterone sulfateME771125--1.303-
DEOXYCHOLIC ACIDDeoxycholic acidME770999--1.294-
DEOXYCYTIDINEDeoxycytidineME771604--5.635-
DEOXYURIDINEDeoxyuridineME771003--2.739-
DIETHYLPHOSPHATEDiethylphosphateME771793--5.567-
DIHYDROOROTIC ACIDDihydroorotic acidME771026--9.16-
DIMETHYLARGININEDimethylarginineME771842--12.819-
DINOTERB-ME771662--0.886-
DIOSMINDiosminME770984--5.511-
DL-THREONINEDL-ThreonineME770956--10.769-
DOPADOPAME771828--1.065-
DTMPdTMPME771190--9.535-
(E)-2,7-DIMETHYL-8-[[(2R,3R,4S,5S,6R)-3,4,5-TRIHYD...-ME771758--1.277-
(E)-2-CYANO-3-(3,4-DIHYDROXYPHENYL)-N-PHENYL-ACRYL...-ME771200--1.178-
(E)-2-METHYLBUT-2-ENOIC ACID [(2R,3S,4S,5R,6R)-3,4...-ME771202--5.356-
(E)-2-METHYLBUT-2-ENOIC ACID [6-[[6-(3,4-DIHYDROXY...-ME771219--11.772-
(E,2S,3R)-5-(3-HYDROXY-2-METHYLOL-PHENYL)PENT-4-EN...-ME771305--1.518-
(E)-3-[(2R,3S)-7-METHOXY-2-[3-METHOXY-4-[(2S,3R,4S...-ME771760--3.446-
(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLIC ACID [2,6-DIHYD...-ME771648--1.785-
(E)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-DIHYD...-ME771823--1.268-
(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID 2-B...-ME771367--1.279-
(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID [(2...-ME771855--6.16-
(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID [3,...-ME771711--6.134-
(E)-3-PHENYL-2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-...-ME771734--4.823-
(E)-4-(3,4-DIHYDROXYPHENYL)BUT-3-EN-2-ONE-ME771542--0.792-
(E)-4-HYDROXYNON-2-ENOIC ACID-ME771414--1.321-
(E)-9-(1,3-BENZODIOXOL-5-YL)NON-8-ENOIC ACID-ME771170--1.295-
(E)-N-(4-ACETAMIDOBUTYL)-3-(4-HYDROXY-3-METHOXY-PH...-ME771572--1.321-
ERYTHRITOLErythritolME771799--5.043-
ERYTHROSEErythroseME771847--4.578-
ESTRONE 3-GLUCURONIDEEstrone 3-glucuronideME771625--6.266-
ETHYL (2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOATE-ME771499--2.134-
ETHYL (2E)-3-(4-HYDROXYPHENYL)PROP-2-ENOATE-ME771564--0.9-
ETHYL 3,4,5-TRIHYDROXYBENZOATEEthyl gallateME771479--2.893-
ETHYL GLUCURONIDEEthyl glucuronideME771231--6.367-
ETHYLMALONIC ACIDEthylmalonic acidME771028--2.095-
FAHFA 16:0/18:2FAHFA 16:0/O-18:2ME771237--0.92-
FAHFA 16:0/3:0-ME771381--1.047-
FAHFA 2:0/24:1-ME771417--1.002-
FAHFA 22:6/18:0FAHFA 22:6/O-18:0ME771528--0.919-
FAHFA 22:6/18:1FAHFA 22:6/O-18:1ME771340--0.9-
FAHFA 3:0/22:0-ME771481--0.993-
FAHFA 3:0/23:0-ME771453--0.979-
FAHFA 3:0/24:0-ME771301--0.966-
FAHFA 3:0/24:1-ME771136--0.978-
FAHFA 4:0/23:0-ME771189--0.976-
FAHFA 4:0/24:1-ME771281--0.969-
FAMOTIDINEFamotidineME771044--5.827-
FEXOFENADINEFexofenadineME771423--3.754-
FORMYLANTHRANILIC ACIDFormylanthranilic acidME771285--1.596-
GALACTOSEGalactoseME771037--9.021-
GALACTURONIC ACIDGalacturonic acidME771652--2.028-
GAMMA-GLUTAMYLGLUTAMIC ACIDgamma-Glutamylglutamic acidME771741--9.042-
GAMMA-GLUTAMYLTYROSINEgamma-GlutamyltyrosineME771490--12.569-
GAMMA-TOCOPHEROLgamma-TocopherolME771394--0.986-
GENISTEINGenisteinME771025--1.144-
GENISTEIN 7-O-APIOSYL-(1->6)-GLUCOSIDE-ME771804--5.518-
GENTISIC ACIDGentisic acidME771514--2.831-
GINKGOLIC ACIDGinkgolic acidME771552--0.959-
GLUCONIC ACIDGluconic acidME771407--11.349-
GLUCONOLACTONEGluconolactoneME771747--2.724-
GLUCOSANGlucosanME771451--4.638-
GLUTAMIC ACIDGlutamic acidME771034--12.611-
GLUTARIC ACIDGlutaric acidME770990--2.578-
GLU VAL PHEGlu-Val-PheME771171--9.39-
GLYCOCHOLIC ACIDGlycocholic acidME771017--6.798-
GLYCOURSODEOXYCHOLIC ACIDGlycoursodeoxycholic acidME770981--4.02-
GLYCYLGLYCYL-L-LEUCINEGly-Gly-LeuME771529--12.334-
GLYCYL-L-METHIONINEGly-MetME771745--10.296-
GLYCYL-L-TRYPTOPHANGly-TrpME771583--9.423-
GLY-PROGly-ProME771696--12.003-
GLY-VALGly-ValME771022--10.156-
GUANOSINEGuanosineME771005--8.158-
HEXANOYLGLYCINEHexanoylglycineME771800--2.113-
HEXCER 18:0;2O/18:2;OHexCer 18:0;O2/18:2;O*ME771607--2.389-
HEXCER 18:0;3O/16:0;(2OH)-ME771540--3.309-
HYDROCHLOROTHIAZIDEHydrochlorothiazideME770994--1.307-
IMIDAZOLEACETIC ACIDImidazoleacetic acidME771011--9.484-
INDOXYL SULFATEIndoxyl sulfateME770961--1.187-
ISOACETOVANILLONE-ME771543--1.106-
ISOBUTYRYLGLYCINEIsobutyrylglycineME771126--5.695-
ISOLITHOCHOLIC ACIDIsolithocholic acidME771021--1.114-
ISOMALTOSEIsomaltoseME771140--11.889-
ISOROSMANOL-ME771465--0.939-
ISOVALERYLGLYCINEIsovalerylglycineME771051--2.352-
ITACONIC ACIDItaconic acidME771296--4.27-
KETOISOVALERIC ACIDKetoisovaleric acidME771384--2.438-
KETOLEUCINEKetoleucineME771080--2.041-
L-ALANYL-L-GLUTAMIC ACIDAla-GluME771492--12.85-
L-ALANYL-L-METHIONINEAla-MetME771166--9.468-
L-ALANYL-L-SERINEAla-SerME771224--12.868-
L-ALANYL-L-THREONINEAla-ThrME771095--12.195-
L-ALPHA-ASPARTYL-L-ISOLEUCINE-ME771093--11.285-
L-ALPHA-ASPARTYL-L-LEUCINE-ME771570--11.168-
L-ALPHA-ASPARTYL-L-VALINE-ME771112--12.112-
L-ARABITOLL-ArabitolME770986--6.354-
L-ASPARAGINYL-L-ISOLEUCINEAsn-IleME771715--9.453-
L-ASPARAGINYL-L-PHENYLALANINEAsn-PheME771736--9.448-
L-ASPARAGINYL-L-PROLINEAsn-ProME771174--9.674-
L-ASPARAGINYL-L-TRYPTOPHANAsn-TrpME771767--9.637-
L-ASPARAGINYL-L-VALINEAsn-ValME771692--10.542-
LEIOCARPOSIDE-ME771510--5.804-
LEUCINIC ACIDLeucinic acidME771001--1.536-
LEUCROSELeucroseME771618--9.57-
LEU GLY GLYLeu-Gly-GlyME771817--10.088-
LEU GLY LEULeu-Gly-LeuME771213--7.951-
L-ISOLEUCYL-L-GLUTAMINEIle-GlnME771109--11.678-
L-ISOLEUCYL-L-SERINEIle-SerME771452--10.069-
L-ISOLEUCYL-L-THREONINEIle-ThrME771142--9.298-
L-LEUCYL-L-ASPARAGINELeu-AsnME771714--11-
L-LEUCYL-L-GLUTAMIC ACIDLeu-GluME771324--10.249-
L-LEUCYL-L-ISOLEUCINELeu-IleME771067--6.494-
L-LEUCYL-L-PROLINELeu-ProME771816--8.426-
L-LEUCYL-L-SERINELeu-SerME771519--10.089-
L-LEUCYL-L-THREONINELeu-ThrME771292--9.278-
L-LEUCYL-L-TRYPTOPHANLeu-TrpME771091--6.439-
L-METHIONINE S-OXIDEMethionine sulfoxideME771380--11.811-
L-METHIONYL-L-GLUTAMIC ACIDMet-GluME771579--11.592-
L-METHIONYL-L-THREONINEMet-ThrME771681--9.73-
LPC(14:0)LPC 14:0ME771819--5.482-
L-PHENYLALANYL-L-GLUTAMIC ACIDPhe-GluME771677--11.521-
L-PHENYLALANYL-L-TRYPTOPHANPhe-TrpME771672--5.434-
L-PHENYLALANYL-L-TYROSINEPhe-TyrME771167--6.598-
L-PROLYL-L-ASPARTIC ACIDPro-AspME771634--2.751-
L-SERYLGLYCINESer-GlyME771508--13.102-
L-SERYL-L-ALANINESer-AlaME771444--12.123-
L-SERYL-L-LEUCINESer-LeuME771724--9.319-
L-SERYL-L-PHENYLALANINESer-PheME771749--9.348-
L-SERYL-L-PROLINESer-ProME771820--11.929-
L-SERYL-L-THREONINESer-ThrME771275--12.913-
L-SERYL-L-VALINESer-ValME771664--10.499-
L-THREONYLGLYCINEThr-GlyME771078--12.423-
L-THREONYL-L-ALANINEThr-AlaME771814--11.608-
L-THREONYL-L-LEUCINEThr-LeuME771088--9.007-
L-THREONYL-L-METHIONINEThr-MetME771586--9.548-
L-THREONYL-L-PROLINEThr-ProME771757--10.709-
L-THREONYL-L-SERINEThr-SerME771186--12.944-
L-THREONYL-L-THREONINEThr-ThrME771143--12.301-
L-THREONYL-L-VALINEThr-ValME771603--9.45-
L-TRYPTOPHYL-L-GLUTAMIC ACID-ME771373--10.553-
L-TRYPTOPHYL-L-LEUCINETrp-LeuME771300--5.923-
L-TRYPTOPHYL-L-PROLINETrp-ProME771619--7.962-
L-TRYPTOPHYL-L-TRYPTOPHAN-ME771727--6.379-
L-TYROSYL-L-LEUCINETyr-LeuME771062--7.296-
L-TYROSYL-L-PHENYLALANINETyr-PheME771101--7.267-
L-TYROSYL-L-PROLINETyr-ProME771812--8.984-
LUMICHROMELumichromeME771049--1.554-
LUTEOLINLuteolinME770989--1.319-
L-VALYL-L-LEUCINEVal-LeuME771832--8.892-
L-VALYL-L-SERINEVal-SerME771445--11.44-
L-VALYL-L-THREONINEVal-ThrME771639--10.272-
MELILOTOCARPAN B-ME771379--1.961-
METHIONINEMethionineME770979--8.7-
METHYLGLUTARIC ACIDMethylglutaric acidME771041--1.791-
METHYLMALONIC ACIDMethylmalonic acidME771852--2.732-
METHYLSUCCINIC ACIDMethylsuccinic acidME771040--2.552-
MEVALONIC ACIDMevalonic acidME771688--2.367-
MGDG 16:0_18:3MGDG 16:0_18:3ME771719--1.243-
MGDG 16:3_18:3MGDG 16:3_18:3ME771657--1.257-
MGDG O-16:1_16:0-ME771774--1.102-
MGDG O-18:1_15:0-ME771610--1.111-
MGDG O-18:2_16:0-ME771739--1.091-
MONOISOBUTYL PHTHALIC ACIDMonoisobutyl phthalateME771427--1.13-
MONOMETHYL GLUTARIC ACIDMonomethyl glutaric acidME771656--2.589-
MYO-INOSITOLMyo-inositolME770964--11.77-
N-[1-(1H-BENZIMIDAZOL-2-YL)ETHYL]BENZENESULFONAMID...-ME771605--2.664-
N-(1,3-BENZOTHIAZOL-2-YL)METHANESULFONAMIDE-ME771218--1.045-
N-[2-(3,4-DIHYDROXYPHENYL)ETHYL]ADAMANTANE-1-CARBO...-ME771573--1.103-
N-[2-(5-HYDROXY-1H-INDOL-3-YL)ETHYL]-5Z,8Z,11Z,14Z...-ME771387--1.91-
N-(2-HYDROXYPHENYL)ACETAMIDE-ME771055--1.803-
N2,N2-DIMETHYLGUANOSINEN2,N2-DimethylguanosineME771772--5.206-
N-[(2R,3R,4R,5R)-5,6-DIHYDROXY-1-OXO-3-{[(2R,3R,4S...Lewis a trisaccharideME771196--12.062-
N-[(2R,3R,4R,5R)-5,6-DIHYDROXY-1-OXO-4-{[(2S,3R,4S...-ME771554--12.872-
N-[(2R,3R,4S,5R)-3,5,6-TRIHYDROXY-1-OXO-4-{[(2S,3R...-ME771644--11.342-
N-[(2S,3R,4R,5S,6R)-2,4,5-TRIHYDROXY-6-(HYDROXYMET...-ME771355--7.807-
N-[(2S,3R,4R,5S,6R)-5-HYDROXY-6-METHYLOL-2-[(2S,3R...-ME771602--13.612-
N-[(3R,4R,5S,6R)-2,5-DIHYDROXY-6-METHYLOL-4-[(2R,3...-ME771646--10.217-
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-ACETAMIDO-5...-ME771516--11.793-
N-{4-[(5-METHYL-1,2-OXAZOL-3-YL)SULFAMOYL]PHENYL}E...-ME771187--1.254-
N-[4-HYDROXY-3-(METHYLTHIO)PHENYL]ACETAMIDE-ME771263--1.2-
N6-ACETYLLYSINEN6-AcetyllysineME771145--11.188-
N6-METHYLADENOSINEN6-MethyladenosineME771485--6.763-
N-[(8E)-3,4-DIHYDROXY-1-{[3,4,5-TRIHYDROXY-6-(HYDR...-ME771591--2.558-
N-[9-[4-HYDROXY-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2...-ME771778--6.741-
N-ACETYLASPARTIC ACIDN-Acetylaspartic acidME771008--9.008-
N-ACETYL-D-PHENYLALANINEN-AcetylphenylalanineME770963--2.215-
N-ACETYL-D-TRYPTOPHANN-Acetyl-D-tryptophanME770976--2.559-
N-ACETYLGLUTAMIC ACIDN-Acetylglutamic acidME771766--9.013-
N-ACETYLGLYCINEN-AcetylglycineME771007--7.899-
N-ACETYLHISTAMINEN-AcetylhistamineME771834--5.693-
N-ACETYLHISTIDINEN-AcetylhistidineME771683--10.452-
N-ACETYL-L-ALPHA-ASPARTYL-L-GLUTAMIC ACID-ME771738--11.551-
N-ACETYLLEUCINEN-AcetylleucineME771039--1.918-
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME771441--12.994-
N-ACETYLORNITHINEN-AcetylornithineME771249--11.568-
N-ACETYLTHREONINEN-AcetylthreonineME771360--9.505-
N-ACETYLTYROSINEN-AcetyltyrosineME770962--4.11-
N-ACETYLVALINEN-AcetylvalineME771220--5.926-
N-AMIDINO-L-GLUTAMATEalpha-Guanidinoglutaric acidME771411--12.593-
N-ARACHIDONOYL L-SERINEN-Arachidonoyl L-serineME771165--2.01-
NARCISSIN-ME771458--6.257-
NARIRUTINNarirutinME771212--5.319-
N-[(E,1S,2R)-2-HYDROXY-1-[[(2R,5R,6R)-3,4,5-TRIHYD...-ME771809--1.341-
N-FORMYLGLYCINEN-FormylglycineME771795--15.034-
N-MESYL-6-(2-PROPARGYLOXYPHENYL)HEXANAMIDE-ME771404--1.302-
N,N'-DIHYDROXYOCTANEDIAMIDE-ME771658--1.518-
NOTOGINSENOSIDE R2-ME771162--4.724-
N-PALMITOYL TAURINEN-Palmitoyl taurineME771289--2.872-
N-PHENYLACETYLPHENYLALANINEN-PhenylacetylphenylalanineME771280--2.464-
N-STEAROYL TAURINEN-Stearoyl taurineME771286--2.268-
OCTYL HYDROGEN SULFATE-ME771468--1.123-
OROTIC ACIDOrotic acidME771013--8.471-
OXOGLUTARIC ACID2-Oxoglutaric acidME770997--9.018-
OXYPURINOLOxypurinolME771211--5.029-
PALATINOSEPalatinoseME771372--11.543-
PANTETHEINEPantetheineME771854--2.898-
PARACETAMOL SULFATEParacetamol sulfateME771660--1.262-
PC O-16:1_18:1PC O-16:1/18:1ME771500--3.529-
PHENETHYL(7H-PURIN-6-YL)AMINE-ME771638--3.811-
PHENYLACETYLGLYCINEPhenylacetylglycineME771029--2.445-
PHENYLALANINEPhenylalanineME770966--7.78-
PHENYLBUTYRYLGLUTAMINEPhenylbutyrylglutamineME771523--5.858-
PHEOPHORBIDE APheophorbide aME771730--1.043-
PHOSPHORIC ACIDPhosphoric acidME771720--14.065-
PHTHALIC ACIDPhthalic acidME771042--1.818-
P-HYDROXYPHENYLACETIC ACID4-Hydroxyphenylacetic acidME771530--3.068-
PICOLINIC ACIDPicolinic acidME771779--3.233-
PIMELIC ACIDPimelic acidME771035--1.757-
PINORESINOLPinoresinolME771195--1.725-
PRO-GLUPro-GluME771753--3.773-
PROPYL 3,4,5-TRIHYDROXYBENZOATE-ME771052--1.06-
PROTOCATECHUIC ACIDProtocatechuic acidME771545--2.947-
PSEUDOURIDINEPseudouridineME771012--7.293-
PSICOSEPsicoseME770959--7.894-
PYRENE-1-CARBOXYLIC ACID-ME771650--4.956-
PYRIDOXINEPyridoxineME771298--3.495-
QUERCETINQuercetinME771765--1.323-
QUINOLINE-2,8-DIOLQuinoline-2,8-diolME771576--1.423-
QUINOXALIN-6-OL-ME771771--6.63-
RIBOFLAVINRiboflavinME770955--5.957-
RIBOTHYMIDINERibothymidineME770975--3.46-
RUTINRutinME771221--7.661-
SALICYLIC ACIDSalicylic acidME771541--1.219-
SALICYLURIC ACIDSalicyluric acidME771737--2.311-
SALSOLINOLSalsolinolME771214--4.228-
SCHAFTOSIDE-ME771308--8.121-
SHIKIMIC ACIDShikimic acidME770993--9.074-
SILIBININSilibininME771020--1.262-
SINAPIC ACIDSinapic acidME771743--3.509-
SODIUM;(2S,4S,5R,6R)-5-ACETAMIDO-4-HYDROXY-6-[(1R,...-ME771626--14.367-
SORBIC ACIDSorbic acidME771512--3.266-
SORBITOLSorbitolME770977--8.905-
SPINACETIN 3-GENTIOBIOSIDESpinacetin 3-gentiobiosideME771577--7.981-
SUBERIC ACIDSuberic acidME771024--1.606-
SUCCINIC ACIDSuccinic acidME770995--3.426-
SUCRALOSESucraloseME771592--2.523-
SUCROSESucroseME770969--11.176-
SULFOACETIC ACIDSulfoacetic acidME771582--11.391-
SULFURIC ACID [(1R)-1-[(8R,9S,10R,13S,14S,17R)-17-...-ME771215--3.026-
SULFURIC ACID [(1R,2R,3R)-3-ACETAMIDO-1-[(1R)-1,2-...-ME771413--13.216-
SULFURIC ACID [(2R,3S,4S,5R)-3,4,5-TRIHYDROXY-6-[2...-ME771461--7.234-
SULFURIC ACID [(3S,5S,8R,9S,10S,13S,14S,17S)-17-AC...-ME771306--1.264-
SULFURIC ACID [(3S,8R,9S,10R,13S,14S,17S)-17-HYDRO...-ME771210--1.202-
SULFURIC ACID [4-(7-HYDROXY-4-OXO-1-BENZOPYRAN-3-Y...-ME771609--1.26-
SULFURIC ACID [(8R,9S,10R,13S,14S,17R)-3-KETO-10,1...-ME771495--1.063-
SULFURIC ACID LAURYL ESTER-ME771311--1.029-
TAURINETaurineME771043--9.175-
TAUROCHENODEOXYCHOLIC ACIDTaurochenodeoxycholic acidME770957--4.969-
TAUROCHOLIC ACIDTaurocholic acidME771033--6.693-
TAURODEOXYCHOLIC ACIDTaurodeoxycholic acidME771064--4.888-
TAUROLITHOCHOLATE SULFATETaurolithocholic acid sulfateME771205--4.778-
TAUROSTEINE-ME771239--4.794-
TEREPHTHALIC ACIDTerephthalic acidME771689--1.608-
THEOPHYLLINETheophyllineME771048--1.361-
THREONIC ACIDThreonic acidME771673--9.653-
THR GLUThr-GluME771072--13.024-
THR TRPThr-TrpME771680--8.889-
THR TYRThr-TyrME771822--10.357-
THR VAL LEUThr-Val-LeuME771081--8.548-
TOPIRAMATETopiramateME771687--1.484-
TRANS-ZEATINtrans-ZeatinME771806--5.632-
TRAUMATIC ACIDTraumatic acidME771002--1.268-
TRIACANTHINETriacanthineME771074--2.063-
TRICHODIMEROL-ME771470--3.377-
TRIMETHYL(2-{[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIENO...-ME771131--3.47-
TRIMETHYL(2-{[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIENO...-ME771232--3.514-
TRIMETHYL(2-{[(2R)-2-[(9Z)-OCTADEC-9-ENOYLOXY]-3-(...-ME771558--3.457-
TRYPTOPHANTryptophanME771015--7.885-
UREIDOPROPIONIC ACIDUreidopropionic acidME770992--5.187-
URIDINEUridineME770972--4.149-
URSODEOXYCHOLIC ACIDUrsodeoxycholic acidME771019--1.296-
VANILLIC ACIDVanillic acidME771507--2.745-
VITEXINVitexinME771433--5.045-
XANTHINEXanthineME771291--5.423-
XANTHURENIC ACIDXanthurenic acidME770978--7.223-
XI-NOREPINEPHRINEXi-NorepinephrineME771431--7.283-
(Z)-2-OCT-7-ENYLPENT-2-ENEDIOIC ACID-ME771226--1.843-
(Z)-3-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLO...-ME771682--9.027-
(Z)-3-(4-HYDROXYPHENYL)-N-[4-[[(Z)-3-(4-HYDROXYPHE...-ME771375--1.675-
(Z)-3-(PENTADEC-8-EN-1-YL)BENZENE-1,2-DIOL-ME771185--1.188-
(Z)-3-PHENYL-2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-...-ME771659--7.751-
(Z)-5-(HEPTADEC-8-EN-1-YL)BENZENE-1,3-DIOL5-(Heptadec-8Z-enyl)resorcinolME771141--1.305-
(Z)-7-[(2R,3R)-3-[(E,3R)-4-(4-IODANYLPHENOXY)-3-OX...-ME771466--1.377-
(Z)-9,10,11-TRIHYDROXYOCTADEC-12-ENOIC ACID-ME771671--1.266-
ZEARALANONE-ME771059--1.745-


Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10,11-DIHYDROXY-9-(HYDROXYMETHYL)-2,2,6A,6B,9,12A-...-ME773534--6.993-
10-(2-HEXYLCYCLOPROPYL)DECANOIC ACID-ME772337--11.378-
10-AMINO-DECANOIC ACID-ME772970--3.466-
(10E,15Z)-9,12,13-TRIHYDROXYOCTADECA-10,15-DIENOIC...-ME773376--6.967-
10-HENDECENOIC ACID10-Hendecenoic acidME772212--6.839-
10-HYDROXYDECANOIC ACID10-Hydroxydecanoic acidME773032--4.402-
10-KETO-10-METHOXY-CAPRIC ACID-ME773437--11.367-
10-UNDECYNOIC ACID-ME773420--11.136-
10Z-HEPTADECENOIC ACID10Z-Heptadecenoic acidME772239--11.206-
1-(10Z-HEPTADECENOYL)-SN-GLYCERO-3-PHOSPHO-(1'-RAC...-ME773232--14.874-
1-[1,6-DIMETHYL-4-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-...-ME773487--7.119-
(11-AMINO-7-METHOXY-12-METHYL-10,13-DIOXO-2,5-DIAZ...-ME772615--2.686-
11BETA-PGE211beta-PGE2ME773642--4.939-
1,1-DIMETHYLPYRROLIDIN-1-IUM-2-CARBOXYLATE-ME772117--0.648-
(11E,15Z)-9,10,13-TRIHYDROXYOCTADECA-11,15-DIENOIC...-ME771993--6.095-
1-(1-ETHYL-3,5-DIMETHYL-PYRAZOL-4-YL)SULFONYLISONI...-ME772353--2.491-
1-(1-HYDROXY-1-METHYL-ETHYL)-3A-METHYL-6,10-DIMETH...-ME772253--7.747-
11-HYDROXY-UNDECANOIC ACID-ME773340--2.708-
11Z,14Z-EICOSADIENOIC ACID11Z,14Z-Eicosadienoic acidME773003--12.086-
1-[(1Z)-CYCLODODECEN-1-YL]ETHANONE-ME773377--11.577-
12(13)EP-9-KODE9-oxo-12(13)-EpOMEME772761--9.356-
12(13)-EPOME12(13)-EpOMEME772091--9.491-
1-[2-(1H-IMIDAZOL-5-YL)ETHYL]-3-PHENETHYL-THIOUREA-ME773501--1.104-
1-[(2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-1-BENZOFURAN-7-...-ME772964--4.144-
1,2,3,3-TETRAMETHYLNORBORNAN-2-OL-ME773104--0.867-
1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID-ME772083--2.749-
1-(2,3,8,8-TETRAMETHYL-1,3,4,5,6,7-HEXAHYDRONAPHTH...-ME772218--7.668-
1-{[2-(4-ETHOXYPHENYL)-2-METHYLPROPOXY]METHYL}-3-P...-ME773680--4.369-
1-[(2,5,8A-TRIMETHYL-5-METHYLOL-1,4,4A,6,7,8-HEXAH...-ME772265--6.08-
1-(2,5-DIMETHOXYPHENYL)-3-PROPYL-THIOUREA-ME773164--0.995-
1-(2,6-DIMETHYLPHENYL)-2H-TETRAZOLE-5-THIONE-ME773146--5.205-
12-(CYCLOHEXYLCARBAMOYLAMINO)LAURIC ACID-ME773255--12.165-
1,2-DIHYDROXYHEPTADEC-16-YN-4-YL ACETATE-ME772198--9.075-
1,2-DIMETHYL-4,5-DINITRO-BENZENE-ME773271--2.432-
(12E,14Z)-11-OXIDANYLICOSA-12,14-DIENOIC ACID-ME772279--10.864-
1-[2-(ETHANESULFONYL)ETHYL]-2-METHYL-5-NITRO-1H-IM...-ME772290--2.268-
1-(2-HYDROXY-4,5-DIMETHYL-PHENYL)ETHANONE-ME773693--1.366-
1-(2-HYDROXYETHYL)-2,2,6,6-TETRAMETHYL-PIPERIDIN-4...-ME772831--3.413-
1-(2-HYDROXYETHYL)-3-METHYL-6,7-DIHYDRO-5H-INDAZOL...-ME772610--3.035-
12-HYDROXYJASMONIC ACID12-Hydroxyjasmonic acidME772800--2.139-
1-(2-HYDROXYPHENYL)-2-PYRROLIDONE-ME772650--2.942-
12-HYDROXYSTEARIC ACID METHYL ESTER-ME772791--11.777-
12-KETODEOXYCHOLIC ACID12-Ketolithocholic acidME772132--6.602-
1-(2-NITRO-1H-IMIDAZOL-1-YL)-3-(PIPERIDIN-1-YL)PRO...-ME772960--2.069-
1-[(2R,4S,5R)-4-FLUORO-5-METHYLOL-TETRAHYDROFURAN-...-ME772060--1.354-
(12Z,15Z)-7,9,10-TRIHYDROXYOCTADECA-12,15-DIENOIC ...-ME772320--5.643-
(12Z,15Z)-9,10,11-TRIHYDROXYOCTADECA-12,15-DIENOIC...-ME772447--5.662-
13,14-DIHYDRO-15-KETO-PGD213,14-Dihydro-15-keto-PGD2ME773610--5.144-
13,14-DIHYDRO-15-KETO-PGF2ALPHA13,14-Dihydro-15-keto-PGF2alphaME772907--6.21-
1,3,3A,4,5,6,7,8,9,10,11,12,13,13A-TETRADECAHYDROC...-ME773712--11.551-
1-(3,3-DIMETHYLNORBORNAN-2-YL)PROPAN-1-OL-ME772466--7.23-
1-(3,4-DICHLOROPHENYL)-3-[2-(1H-IMIDAZOL-5-YL)ETHY...-ME773253--0.937-
(1,3,5-TRIMETHYLPYRAZOL-4-YL)METHANOL-ME772106--1.707-
1-[3-(ACETYLTHIO)PROPANOYL]-6-METHYL-PIPECOLINIC A...-ME773305--1.338-
1-(3-AMINOPIPERIDINO)ETHANONE-ME772371--1-
1-(3-AMINOPROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDRO-2...-ME772777--5.717-
1,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPAN-2-YL (9Z)-O...-ME773461--15.074-
1-(3-CHLOROPHENYL)PIPERAZINE-ME772904--5.782-
1,3-DIHYDROXYPROPAN-2-YL (9Z,12Z)-OCTADECA-9,12-DI...-ME772328--11.244-
13-ETHYL-8-METHYL-8,15-DIAZAHEXACYCLO[14.2.1.01,9....-ME772108--5.63-
1-(3-ETHYLPYRAZIN-2-YL)ETHAN-1-ONE-ME772694--2.459-
1-(3-MERCAPTOPROPANOYL)-6-METHYL-PIPECOLINIC ACID-ME773581--1.365-
1-[(3R,5S,8R,9S,10S,13S,14S,17R)-3,17-DIHYDROXY-10...-ME773358--10.688-
13Z-DOCOSENAMIDE13Z-DocosenamideME772845--12.813-
(13Z)-ICOS-13-ENOIC ACID-ME772880--11.728-
(13Z)-OCTADEC-13-ENOIC ACID-ME772043--11.249-
1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE-ME772982--4.58-
1,4A,7-TRIMETHYL-7-VINYL-3,4,6,8,8A,9,10,10A-OCTAH...-ME772841--9.307-
1-(4-ACETYLPHENYL)-3-PHENYL-THIOUREA-ME773094--3.78-
1-(4-AZANYLPIPERIDIN-1-YL)ETHANONE-ME772592--0.849-
1,4-DIHYDROXY-1,4-DIMETHYL-7-(PROPAN-2-YLIDENE)-DE...-ME772843--6.048-
1,4-DIHYDROXY-2,2-DIMETHYL-PIPERAZINE-ME772522--1.996-
1-[4-(DIMETHYLAMINO)PHENYL]ETHANOL-ME773128--3.095-
1-(4-ETHYLPHENYL)-5-KETO-PYRROLIDINE-3-CARBOXYLIC ...-ME772151--3.134-
1-(4-FLUOROPHENYL)-1-[3-(METHYLAMINO)PROPYL]-1,3-D...-ME772701--5.798-
14-HYDROXY-TETRADECANOIC ACID-ME773311--8.762-
1,4-NAPHTHOQUINONENaphthoquinoneME773208--0.556-
1-(4-PIPERIDYL)ETHANOL-ME772581--1.733-
15-(4-HYDROXY-1,5-DIMETHYL-HEX-5-ENYL)-7,7,12,16-T...-ME772535--11.525-
1-(5,8-DIMETHOXY-2,2-DIMETHYL-CHROMEN-6-YL)ETHANON...-ME773323--3.774-
15-KETO-PGE115-Keto-PGE1ME773618--3.855-
15-KETO-PGF2ALPHA15-Keto-PGF2alphaME772501--5.683-
1-[(5Z,8Z,11Z,14Z)-EICOSA-5,8,11,14-TETRAENYL]-3-P...-ME773240--9.101-
16,16-DIMETHYL-PGA116,16-Dimethyl-PGA1ME772128--8.075-
16A-HYDROXYDEHYDROISOANDROSTERONE-ME772741--6.74-
16-A-HYDROXYPREGNENOLONE16alpha-HydroxypregnenoloneME773054--6.949-
1,6-DIOXACYCLOHEXADECANE-7,16-QUINONE-ME773108--1.367-
1-(6-METHOXY-1,3-BENZODIOXOL-5-YL)-2-(METHYLAMINO)...-ME772824--4.707-
17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYL-1,2,4,5,6,7,...-ME772674--11.966-
17-[1-HYDROXY-1-(5-METHYL-2-PIPERIDYL)ETHYL]-10,13...-ME773294--13.751-
17ALPHA-HYDROXYPREGNENOLONE17alpha-HydroxypregnenoloneME772389--7.9-
1,7-DIOXACYCLOHEPTADECAN-8-ONE-ME772540--8.738-
[1-(7H-PURIN-6-YL)-4-PIPERIDYL]AMINE-ME772298--2.199-
1-(7-METHOXY-1,3-BENZODIOXOL-5-YL)-2-(METHYLAMINO)...-ME772547--4.748-
17-OCTADECYNOIC ACID-ME772185--12.013-
1-[8-[6-[(3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN...-ME772144--3.854-
1,9S,11R,15S-TETRAHYDROXY-13E-PROSTAENE-ME772709--7.963-
1-(9Z-HEPTADECENOYL)-2-(9Z-OCTADECENOYL(13C))-SN-G...-ME773620--14.852-
1-(9Z-HEPTADECENOYL)-SN-GLYCERO-3-PHOSPHOETHANOLAM...-ME773362--10.683-
1-(9Z-NONADECENOYL)-GLYCERO-3-PHOSPHOETHANOLAMINE-ME773500--11.589-
1-(9Z-PENTADECENOYL)-2-(9Z-OCTADECENOYL)-SN-GLYCER...-ME773419--14.479-
1-(9Z-PENTADECENOYL)-GLYCERO-3-PHOSPHOCHOLINE-ME773556--5.938-
1A,1B-DIHOMO-9S,11R,15S-TRIHYDROXY-5Z,13E-PROSTADI...1a,1b-dihomo-PGF2alphaME773055--6.486-
1-ACETYLISONIPECOTIC ACID-ME772936--1.884-
1-ACETYLPIPECOLINIC ACID-ME772376--0.905-
1-ACETYLPYRROLIDINE-2-CARBOXAMIDE-ME772136--1.301-
1-ADAMANTYL-(4-ETHYLPIPERAZINO)METHANONE-ME773653--9.827-
1-AMINO-3-(3-CHLORO-4-METHYL-PHENYL)THIOUREA-ME773123--5.959-
1-AMMONIOCYCLOBUTANECARBOXYLATE-ME772217--0.735-
(1AR,3AS,4S,7R,7AS,7BR)-1,1,3A,7-TETRAMETHYLDECAHY...-ME772062--7.682-
(1AR,4R,4AR,7R,7AS,7BS)-1,1,4,7-TETRAMETHYL-2,3,4A...-ME772034--7.671-
(1AS,2R,6R,7R,7AR,7BR)-1A-ISOPROPENYL-7,7A-DIMETHY...-ME773163--3.175-
1-BENZHYDRYL-3,3-DIFLUORO-AZETIDINE-ME772292--7.463-
[(1-BENZYL-1H-INDAZOL-3-YL)OXY]ACETIC ACID-ME772085--6.406-
1-BENZYL-4-BROMO-3,6-DIHYDRO-2H-PYRIDINE-ME772688--6.234-
1-BENZYL-4-PHENYL-PIPERIDIN-4-OL-ME772190--7.587-
1-BENZYL-5-KETO-PYRROLIDINE-3-CARBOHYDRAZIDE-ME772988--3.329-
1-BENZYLIMIDAZOLE-2-CARBOXYLIC ACID-ME772717--3.962-
1-BENZYLTRIAZOLE-4-CARBOXYLIC ACID-ME772536--3.019-
(1-CARBOXY-2-HYDROXY-ETHYL)-[1-HYDROXY-4-(3,7,12-T...-ME773359--6.582-
1-(CARBOXYMETHYL)CYCLOHEXANECARBOXYLIC ACID-ME772809--2.623-
(1-CYCLOBUTYL-4-PIPERIDYL)AMINE-ME772847--2.746-
1-CYCLOHEXYL-3-[2-(1H-IMIDAZOL-5-YL)ETHYL]UREA-ME772130--3.36-
1-CYCLOHEXYL-3-(2-PHENYLETHYL)UREA-ME773675--3.715-
1-CYCLOPROPYL-6-FLUORO-BENZOTRIAZOLE-ME773114--1.892-
(1E,4E)-1,5-BIS(2-HYDROXYPHENYL)PENTA-1,4-DIEN-3-O...-ME773678--1.683-
(1E,6E)-1-(4-HYDROXY-3-METHOXYPHENYL)-7-(4-HYDROXY...-ME772291--6.825-
1-ETHYL-3-METHYL-1H-IMIDAZOL-3-IUM-ME773403--2.651-
1-HEPTADECANOYL-2-(9Z-NONADECENOYL)-GLYCERO-3-PHOS...-ME773628--14.746-
1-HEPTADECANOYL-2-(9Z-OCTADECENOYL)-SN-GLYCEROL-ME773171--15.294-
1-HEXADECANOYL-RAC-GLYCEROL-ME772728--11.415-
1-HEXADECANOYL-SN-GLYCERO-3-PHOSPHATE-ME773677--10.456-
1H-INDOLE-3-CARBOXALDEHYDE1H-Indole-3-carboxaldehydeME772638--4.033-
1H-INDOLE-6-CARBALDEHYDE-ME772917--4.002-
1-METHOXY-9S,11R,15S-TRIHYDROXY-5Z,13E-PROSTADIENEPGF2alpha methyl etherME772922--7.421-
1-METHYL-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLIC A...-ME772160--1.521-
1-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-3-CARB...Tetrahydroharman-3-carboxylic acidME773084--2.824-
1-METHYL-2,3,4,9-TETRAHYDROPYRIDO[3,4-B]INDOL-7-ON...-ME772125--3.799-
(1-METHYL-2-PIPERIDINO-ETHYL)AMINE-ME773062--3.61-
1-METHYL-3-(2-METHYLPROPYL)-2,3,6,9-TETRAHYDRO-1H-...-ME773113--0.934-
1-METHYL-3-[(2R)-1-METHYL-2-PYRROLIDINYL]PYRIDIN-1...-ME773245--2.647-
1-METHYL-4-(1-METHYLPYRROLIDIN-2-YL)-9H-BETA-CARBO...-ME772153--6.062-
1-METHYL-9H-PYRIDO[3,4-B]INDOL-7-OL-ME772805--4.379-
1-(METHYLAMINO)-3-[2-(TRIFLUOROMETHYL)PHENOXY]PROP...-ME772086--4.575-
1-METHYLAZEPAN-4-ONE-ME773267--1.23-
1-METHYLGUANOSINE1-MethylguanosineME772882--1.38-
1-METHYLHISTAMINE1-MethylhistamineME772199--2.249-
1-METHYLINDAZOLE-4-CARBALDEHYDE-ME772825--4.633-
1-METHYLISONIPECOTIC ACID-ME772277--0.866-
1-METHYLNIPECOTIC ACID-ME772032--0.738-
1-METHYLXANTHINE1-MethylxanthineME772566--0.896-
1-O-(3ALPHA,7ALPHA-DIHYDROXY-24-OXO-5BETA-CHOLAN-2...-ME773082--5.87-
1-OCTADECANOYL-RAC-GLYCEROLMG 18:0ME772893--12.343-
1-O-HEXADECYL-2-(9Z-OCTADECENOYL)-SN-GLYCEROL-ME773703--15.593-
1-PHENYL-6,7-DIHYDRO-5H-INDAZOL-4-ONE-ME772698--5.678-
1-PHENYLHEX-1-YN-3-OL-ME772284--6.341-
(1-PROPYL-3-PIPERIDYL)AMINE-ME772181--2.67-
1-(P-TOLYL)BUTAN-1-ONE-ME772105--6.727-
1-QUINOXALIN-2-YLBUTANE-1,2,3,4-TETROL-ME772410--3.035-
(1R)-1-[(2S,4AR,4BS,6S,8R,8AS)-6-HYDROXY-2,4B,8-TR...-ME772604--5.822-
(1R,1'R,5R,5'R,9R)-6',6',10,10-TETRAMETHYLSPIRO[6-...-ME773695--6.789-
[(1R,2R)-3-OXO-2-PENTYLCYCLOPENTYL]ACETIC ACID-ME773464--11.185-
(1R,2R,4AR,8AR)-1-[2-(3-FURYL)ETHYL]-1,4A,5-TRIMET...-ME773343--4.604-
(1R,2R,4AS,8AS)-1-[(3R)-3-HYDROXY-3-METHYLPENT-4-E...SclareolME771977--9.65-
(1R,2R,4AS,8AS)-2-[(2R)-2-HYDROXYBUTYL]-1,3-DIMETH...-ME772288--7.292-
(1R,2R,5S,7R,9S)-2,6,6-TRIMETHYL-8-METHYLENE-TRICY...-ME772156--7.582-
(1R,2S)-2-AMINOCYCLOPENTANECARBOXYLIC ACID ETHYL E...-ME773100--1.292-
(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,...-ME773017--10.964-
(1R,2S,5E,9E,12S)-12-ISOPROPYL-1,5,9-TRIMETHYL-15-...-ME772829--9.695-
(1R,2S,5S,8R)-7,7-DIMETHYL-6-METHYLENE-TRICYCLO[6....-ME773282--5.309-
(1R,2S,6S,7R,8R)-4,4-DIMETHYL-3,5,10,11-TETRAOXATR...-ME773597--1.007-
(1R,3AR,5AR,5BR,7AR,9R,11AR,11BR,13AR,13BR)-1-ISOP...-ME772551--10.758-
(1R,3AR,8S,8AS)-1-ISOPROPYL-3A,6-DIMETHYL-2,3,4,7,...-ME773555--11.55-
(1R,3AS,5AR,5BR,11AR,13AR)-7-HYDROXY-1-ISOPROPENYL...-ME772200--9.276-
(1R,3AS,5AR,5BR,7AR,9S,11AR,11BR,13AR,13BS)-1-ACET...-ME772790--9.92-
(1R,3S,5S,7R)-5-ISOPROPENYL-2,8-DIMETHYLENE-CYCLOD...-ME772749--5.141-
(1R,3S,5Z)-5-{2-[(1R,3AS,4E,7AR)-1-[(2R,3E,5R)-5,6...-ME773247--12.531-
(1R,3S,5Z)-5-{2-[(1R,3AS,4E,7AR)-1-[(2R,5R)-5-HYDR...-ME772058--10.086-
(1R,3S,5Z)-5-{2-[(1R,3AS,4E,7AR)-7A-METHYL-1-[(2R)...-ME773426--12.359-
(1R,4AR,5S)-5-[(E)-5-HYDROXY-3-METHYL-PENT-3-ENYL]...-ME772213--9.828-
(1R,4AR,7S)-1,4A,7-TRIMETHYL-7-VINYL-3,4,4B,5,6,8,...-ME772570--8.636-
(1R,4AS,5R,8AS)-5-(5-HYDROXY-3-METHYL-PENTYL)-1,4A...-ME773410--10.911-
(1R,4S,5R,9S,10R,13S)-13-HYDROXY-5,9-DIMETHYL-14-M...-ME772720--6.952-
(1~{R},4~{S},5~{R},9~{S},10~{R},13~{S})-14-KETO-5,...-ME772449--6.945-
(1R,4S,5R,9S,10R,13S)-5,9-DIMETHYL-14-METHYLENE-13...-ME773051--4.874-
(1R,4S,5S,6R,9R)-5,6-DIHYDROXY-4,11,11-TRIMETHYL-8...-ME773399--3.506-
(1R,4S,5S,6S)-4-AMINO-2,2-DIOXO-2$L^{6}-THIABICYCL...-ME772029--1.232-
(1R,5R)-2,6-DIMETHYL-8-METHYLENE-3-OXABICYCLO[3.3....-ME773161--8.651-
(1R,5R)-6-HYDROXY-8-METHYL-8-AZABICYCLO[3.2.1]OCTA...-ME772871--2.07-
[(1R,5R,9S,13S)-5,9,13-TRIMETHYL-5-TETRACYCLO[11.2...MethanolME772104--9.523-
(1R,5S)-1-(1-HYDROXY-2-METHYL-PROPYL)-4-METHYL-6-O...-ME772221--2.212-
(1R,6R)-6-BENZYLCYCLOHEX-3-ENE-1-CARBOXYLIC ACID-ME772820--6.734-
(1R,6S,11AS,13S,14AR)-1,13-DIHYDROXY-6-METHYL-1H,4...-ME772463--6.58-
(1S)-2-METHYL-4-OXO-3-(PROP-2-EN-1-YL)CYCLOPENT-2-...-ME773056--7.41-
(1S,2R,4AS,6AR,6AS,6BR,8AR,10S,12AR,14BS)-10-HYDRO...-ME773665--12.6-
(1S,2R,4AS,6AS,6BR,10S,12AR)-10-HYDROXY-1,2,6A,6B,...-ME772931--10.407-
(1S,2R,4R,5R,6S,7R,8R,11R)-4,5,7,11-TETRAHYDROXY-2...-ME772241--2.018-
(1S,2R,5R,7R,9S,11R)-2,6,6,9-TETRAMETHYLTRICYCLO[5...-ME773644--3.723-
(1S,2R,5S,6R,9R,11S,14R,15R,19S,21S)-11-HYDROXY-2,...-ME772285--10.15-
(1S,2R,7R,9R,11R,12S)-1,5-DIMETHYL-2-METHYLOL-SPIR...-ME773081--4.494-
(1S,2R,8R,8AR)-OCTAHYDROINDOLIZINE-1,2,8-TRIOL-ME772226--2.048-
(1S,2S,3E,7R,11E,13R)-2-HYDROXY-7-METHYL-6-OXABICY...-ME772148--6.593-
[(1S,2S,4S,5S,6R,10S)-2-(HYDROXYMETHYL)-10-[(2S,3R...-ME773592--4.277-
[(1S,2S,5S)-6,6-DIMETHYLNORPINAN-2-YL]METHANOLMethanolME773353--11.572-
(1S,2S,5S,8R,9S)-9-ISOPROPYL-2-METHYL-6-METHYLENE-...-ME773495--11.503-
(1S,3R)-1-AMINOCYCLOPENTANE-1,3-DICARBOXYLIC ACID-ME773027--0.541-
(1S,3R,4R,5R)-1,3,4-TRIHYDROXY-5-{[(2E)-3-(4-HYDRO...-ME772757--2.148-
(1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLO...-ME772046--3.963-
(1S,3R,5S,8R,9S,10S,13S,14S)-1,10,13-TRIMETHYL-3-O...-ME772848--7.566-
(1S,3R,5S,8R,9S,10S,13S,14S,17S)-1,10,13-TRIMETHYL...-ME772137--8.71-
(1S,4AR,5S)-5-(5-ACETOXY-3-METHYL-PENTYL)-1,4A-DIM...-ME773091--10.474-
(1S,4AR,6AS,6BR,10R,11R,12AR)-1,10,11-TRIHYDROXY-2...-ME773110--5.528-
(1S,4AS,5R,6R)-6-HYDROXY-5-[(Z)-5-HYDROXY-3-METHYL...-ME773221--10.772-
(1S,4R)-1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTANE-2,3-D...-ME773606--7.841-
(1S,4S,12S,13R,16R,17R)-17-(HYDROXYMETHYL)-12-METH...-ME772161--6.567-
(1S,4S,9R,10S,12S,13R)-13-HYDROXY-5,5,9-TRIMETHYL-...-ME772875--6.852-
(1S,5R,13R,17S)-17-HYDROXY-10-METHOXY-4-METHYL-12-...-ME772077--5.496-
(1S,5S)-6,8,9-TRIMETHYL-4-[(E)-PROP-1-ENYL]-3-OXAB...-ME773349--9.667-
(1S)-7-METHOXY-1-METHYL-1,2,3,4-TETRAHYDROISOQUINO...-ME773685--5.271-
(1S,7R)-INDOLIZIDINE-1,6,7,8-TETROL-ME772387--2.142-
(1S,8R)-5,9,9-TRIMETHYL-2-METHYLENE-BICYCLO[6.2.0]...-ME772347--8.028-
(1S,8S,13R)-2-OXA-9-AZATETRACYCLO[6.5.1.01,5.09,13...-ME772579--5.323-
(1S)-TRICYCLO[7.3.1.02,7]TRIDEC-2(7)-EN-13-ONE-ME773211--11.494-
1-(TERT-BUTYLAMINO)-3-PHENOXY-PROPAN-2-OL-ME772171--4.577-
(1-TETRAHYDROFURAN-3-YL-4-PIPERIDYL)AMINE-ME772713--3.564-
(1Z,5E,9E)-5,8,8-TRIMETHYLCYCLOUNDECA-1,5,9-TRIENE...-ME773545--2.9-
20-HYDROXYECDYSONE20-HydroxyecdysoneME773404--4.818-
20-HYDROXY-PGF2ALPHA20-Hydroxy-PGF2alphaME773001--5.457-
2-{1-[(1-{3-[(E)-2-(7-CHLOROQUINOLIN-2-YL)ETHENYL]...-ME772719--8.585-
2-[1-[[[(1S)-1-[3-[(E)-2-(7-CHLORO-2-QUINOLYL)VINY...-ME773575--8.894-
2-[1-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL...-ME772567--2.041-
2-(1,3,5-TRIMETHYLPYRAZOL-4-YL)ETHANOL-ME773482--1.473-
2-[1-[(3-OXO-2-AZASPIRO[4.5]DECAN-2-YL)METHYL]CYCL...-ME772942--7.312-
2-[1-[4,5-DIHYDROXY-3-[(2S,3R,4S,5S,6R)-3,4,5-TRIH...-ME772360--1.853-
2-(14-METHYLPENTADECANOYLAMINO)-3-PHENYL-PROPIONIC...-ME773627--5.482-
2-(1-ADAMANTYL)ETHANEHYDROXAMIC ACID-ME772402--5.249-
2-[(1-BENZYL-1H-INDAZOL-3-YL)METHOXY]-2-METHYLPROP...-ME772561--6.572-
2-(1-BENZYL-5-METHOXY-2-METHYL-INDOL-3-YL)ETHYLAMI...-ME772784--8.356-
2-[(1E,5E,9E)-8,11-DIHYDROXY-1,5,9-TRIMETHYL-UNDEC...-ME772016--7.594-
2-[1-HYDROXY-1-[1-HYDROXY-10,13-DIMETHYL-3-[3,4,5-...-ME772539--7.175-
2-(1-HYDROXY-1-METHYL-ETHYL)-4A,8-DIMETHYL-DECALIN...-ME772321--5.975-
2-(1-HYDROXYETHYL)-4-(2-HYDROXYPROPYL)-2H-FURAN-5-...-ME772375--2.679-
21-HYDROXYPREGNENOLONE21-HydroxypregnenoloneME772546--6.4-
2-(1-ISOPROPYLINDOL-3-YL)ETHYLAMINE-ME772019--4.892-
2-(1-METHYL-1H-IMIDAZOL-5-YL)ACETIC ACID-ME772860--1.635-
2-[(1R,4S,5R,7R,8S,10S)-4-HYDROXY-5,10-DIMETHYL-11...-ME773421--2.951-
2-[(1S,2R,6S,7R)-3,5-DIKETO-4-AZATRICYCLO[5.2.1.02...-ME773510--4.154-
2-[(1S,2S,4AR,8AS)-1-HYDROXY-4A-METHYL-8-METHYLENE...-ME773496--7.981-
2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-FLUORO-11-HYDRO...-ME772954--5.246-
2,2',2'',2'''-[ETHANE-1,2-DIYLBIS(OXY-2,1-PHENYLEN...-ME772215--2.849-
2-[2-[2-(2-LAURYLOXYETHOXY)ETHOXY]ETHOXY]ETHANOL-ME772949--10.157-
2-[[2-[[2-(BENZYLOXYCARBONYLAMINO)ACETYL]AMINO]ACE...-ME772237--3.731-
2-(2,2-DIMETHYL-4-PHENYL-TETRAHYDROPYRAN-4-YL)ACET...-ME772913--5.766-
2-[[2-(2-HYDROXY-3-KETO-2-PENT-2-ENYL-CYCLOPENTYL)...-ME772614--3.82-
2-[2-(2-METHOXYETHOXY)ETHOXY]ETHAN-1-OL-ME772404--3.014-
2-[2-[4-(11-KETOBENZO[B][1,4]BENZOTHIAZEPIN-6-YL)P...-ME772224--5.744-
2,2,4,4,6,6-HEXAMETHYL-1,3,5,2,4,6-TRIOXATRISILINA...-ME772300--6.536-
2,2,5,7,8-PENTAMETHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-...-ME772811--6.864-
2-(2,5-DIMETHOXY-3,4-DIMETHYL-PHENYL)ETHYLAMINE-ME773398--1.999-
2-[2,6-DIHYDROXY-4-METHYL-3-(1-METHYLOLVINYL)-4-VI...-ME773698--6.621-
2-(2,6-DIMETHYLANILINO)-N,N-DIETHYL-2-KETO-ETHANAM...-ME773668--3.209-
2-(2,6-DIMETHYLMORPHOLINO)ETHANOL-ME772892--2.617-
2-(2-ACETAMIDOPHENOXY)ACETIC ACID-ME772222--2.691-
2-(2-ACETYL-3-HYDROXY-5-METHOXY-PHENYL)ACETIC ACID-ME773593--0.887-
2-(2-AMINO-3-METHYLBUTANAMIDO)-3-PHENYLPROPANOIC A...-ME772244--3.891-
2-[(2-AMINO-6-OXO-6,9-DIHYDRO-3H-PURIN-9-YL)METHOX...ValganciclovirME772950--1.543-
2-[(2-AMMONIOACETYL)AMINO]HEXANOATE-ME773010--1.285-
2-(2-AMMONIOPROPANOYLAMINO)HEXANOATE-ME772788--1.228-
2-[2-[BIS(2-HYDROXYETHYL)AMINO]-N-(2-HYDROXYETHYL)...-ME772897--4.548-
2,2-BIS(HYDROXYMETHYL)-1-AZABICYCLO[2.2.2]OCTAN-3-...-ME772764--3.581-
2-(2-CHLOROPHENYL)-2-(2-KETO-4,6,7,7A-TETRAHYDROTH...-ME772384--4.843-
2-(2-CHLOROPHENYL)-2-(METHYLAMINO)CYCLOHEXAN-1-ONEKetamineME773039--6.07-
2,2-DICYCLOHEXYL-2-HYDROXY-ACETIC ACID-ME773367--8.769-
2,2-DIHYDROXYACETIC ACID [(1S,2R,5S)-2-ISOPROPYL-5...-ME773151--7.633-
2,2-DIMETHYL-3-PHENYL-1H-QUINAZOLIN-4-ONE-ME773144--2.016-
2-[(2E)-3-(3,4-DIMETHOXYPHENYL)PROP-2-ENAMIDO]BENZ...-ME772618--5.042-
2-(2-ETHYLPHENYL)ACETONITRILE-ME773360--7.32-
2-({2-HYDROXY-1,4A-DIMETHYL-5-[(3E)-3-METHYL-5-{[3...-ME772729--6.45-
2-(2-HYDROXY-3H-INDOL-3-YL)ACETIC ACID-ME772339--1.823-
2-[(2-HYDROXY-3-METHYL-BUTANOYL)AMINO]-3-METHYL-BU...-ME773107--0.754-
2-[(2-HYDROXY-3-METHYL-BUTANOYL)AMINO]-4-METHYL-VA...-ME773559--1.33-
2-(2-KETO-1,3-BENZOTHIAZOL-3-YL)-N-PHENYL-ACETAMID...-ME771988--5.441-
2-(2-KETOPYRROLIDINO)ACETIC ACID-ME772395--1.71-
2-(2-METHOXYPHENYL)-2-(METHYLAMINO)CYCLOHEXANONE-ME773445--3.044-
2-(2-METHYLIMIDAZOL-1-YL)PROPAN-1-OL-ME773561--1.009-
2-(2-NAPHTHYLAMINO)-N-[(E)-(4-NITROBENZYLIDENE)AMI...-ME772496--6.094-
2-(2-OXOPYRROLIDIN-1-YL)ETHANIMIDIC ACID-ME772250--0.506-
2-(2-PHENYLETHOXY)-6-{[(3,4,5-TRIHYDROXYOXAN-2-YL)...-ME773079--3.735-
2-(2-PYRIMIDYL)ACETIC ACID-ME772603--0.766-
(2-{[(2R)-2,3-BIS[(9Z,12Z,15Z)-OCTADECA-9,12,15-TR...-ME773016--11.51-
(2-{[(2R)-2,3-BIS[(9Z,12Z)-OCTADECA-9,12-DIENOYLOX...-ME773213--14.066-
(2-{[(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL P...-ME772823--11.281-
(2-{[(2R)-2-(ACETYLOXY)-3-(HEXADECYLOXY)PROPYL PHO...-ME772303--11.757-
(2-{[(2R)-2-(HEXADECANOYLOXY)-3-[(9Z)-OCTADEC-9-EN...-ME773525--14.389-
(2-{[(2R)-2-(HEXADECANOYLOXY)-3-(TETRADECANOYLOXY)...-ME773512--13.946-
(2-{[(2R)-2-HYDROXY-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]P...-ME773623--11.607-
(2-{[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PRO...-ME773664--11.121-
(2-{[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)PROPYL PHOS...-ME773278--11.763-
(2-{[(2R)-2-HYDROXY-3-(PENTADECANOYLOXY)PROPYL PHO...-ME773518--10.371-
(2-{[(2R)-3-[(1Z)-HEXADEC-1-EN-1-YLOXY]-2-HYDROXYP...-ME773262--11.283-
(2-{[(2R)-3-(HEPTADECANOYLOXY)-2-HYDROXYPROPYL PHO...-ME773552--11.352-
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z,12Z)-OCTADECA...-ME773309--14.091-
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z)-OCTADEC-9-EN...-ME773638--14.311-
2-[(2R,4AR,8R,8AR)-8-HYDROXY-4A,8-DIMETHYL-DECALIN...-ME772225--6.364-
2-[(2S)-5,5-DIMETHYLMORPHOLIN-2-YL]ACETIC ACID-ME772812--1.872-
2-(2-THIENYL)-1H-PHENANTHR[9,10-D]IMIDAZOLE-ME772682--7.488-
2-[2-[(Z)-PENT-2-ENYL]-3-(3,4,5-TRIHYDROXY-6-METHY...-ME772245--4.02-
2,3,14-TRIHYDROXY-10,13-DIMETHYL-17-(1,3,5-TRIHYDR...-ME772446--5.224-
2,3,4,5-TETRAHYDRO-1-BENZOXEPIN-3-ONE-ME772455--3.688-
2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPIN[1,2-A]INDOLE-ME772194--5.711-
2,3,4,5-TETRAHYDRO-1H-2-BENZAZEPINE-ME773543--2.226-
2-(3,4-DIMETHOXYPHENYL)-5,6,7,8-TETRAMETHOXY-4H-CH...-ME772553--6.9-
2-(3,5-DIMETHOXYPHENOXY)ETHANOL-ME772962--3.289-
2-(3,5-DIMETHYLPHENOXY)BUTYRIC ACID-ME773157--2.1-
2-(3-CARBOXYPROPANOYLAMINO)-4-(METHYLTHIO)BUTYRIC ...-ME772140--0.82-
2,3-DIAMINOPROPANOIC ACID2,3-Diaminopropionic acidME772671--0.52-
2,3-DIHYDRO-1H-INDOLE-2,3-DIONE-ME772426--3.142-
2,3-DIHYDROXYPROPYL (5Z,8Z,11Z,14Z)-ICOSA-5,8,11,1...-ME772147--11.198-
2,3-DIHYDROXYPROPYL (9Z)-HEXADEC-9-ENOATE-ME772475--10.713-
2,3-DIHYDROXYPROPYL (9Z)-OCTADEC-9-ENOATE-ME772801--11.796-
2,3-DIHYDROXYPROPYL DODECANOATE-ME772021--8.097-
2,3-DIHYDROXYPROPYL (Z)-DOCOS-13-ENOATE-ME773088--13.044-
2-(3-KETO-1,4-BENZOXAZIN-4-YL)ACETIC ACID-ME773463--1.184-
2-[3-KETO-2-[(E)-PENT-2-ENYL]CYCLOPENTYL]ACETIC AC...-ME771983--3.855-
2-(3-KETO-6-METHYL-1,4-BENZOXAZIN-4-YL)ACETIC ACID-ME772082--2.013-
2-[3-(LAUROYLAMINO)PROPYL-DIMETHYL-AMMONIO]ACETATE-ME772556--8.093-
2-(3-PYRIDYL)QUINUCLIDINE-ME773033--4.329-
2-[(3S)-3-PIPERIDYL]ACETIC ACID METHYL ESTER-ME772716--3.494-
24,25-DIHYDROXYVITAMIN D324,25-Dihydroxyvitamin D3ME773198--8.87-
{2-[4-(2-BUTYL-1-BENZOFURAN-3-CARBONYL)-2,6-DIIODO...-ME773616--11.615-
2-[4-(2-HYDROXY-2-METHYLPROPYL)PHENYL]PROPANOIC AC...2-HydroxyibuprofenME772861--3.7-
2-(4-{2-HYDROXY-3-[(PROPAN-2-YL)AMINO]PROPOXY}PHEN...AtenololME772530--3.638-
2-[[4-(3,12-DIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8...-ME772959--7.437-
2-[4-(3,6,7-TRIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,...-ME773078--6.292-
2-[4-(3,7-DIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9...-ME772096--9.009-
2-[4-(3-AMINO-2-HYDROXYPROPOXY)PHENYL]ACETAMIDE-ME773591--3.685-
2-[4-[4-(4-BENZHYDRYLOXYPIPERIDIN-1-IUM-1-YL)BUTAN...-ME773646--6.926-
2,4,6-TRITERT-BUTYLBENZOIC ACID METHYL ESTER-ME773549--3.965-
2-[(4-AMINO-4-CARBOXY-BUTANOYL)AMINO]-4-METHYL-VAL...-ME772571--1.191-
2-(4B,8,8,10A-TETRAMETHYL-2-METHYLENE-1,3,4,4A,5,6...-ME772437--9.413-
2-(4-BENZO[B][1,4]BENZOTHIAZEPIN-6-YLPIPERAZINO)ET...-ME772627--6.039-
2-(4-BUTOXYPHENYL)-N-HYDROXYACETAMIDEBufexamacME772569--4.498-
2-[(4-CHLOROBENZOYL)AMINO]-3-(1H-INDOL-3-YL)PROPIO...-ME773486--2.141-
2-(4-CUMYLPHENOXY)ACETOHYDRAZIDE-ME773156--2.383-
2-[4-(CYANOMETHYL)PIPERAZINO]ACETONITRILE-ME772267--1.417-
24-DAMMARENE-3BETA,12BETA-20S-TRIOL-ME773477--12.343-
2,4-DIHYDROXY-3,6-DIMETHYL-BENZOIC ACID METHYL EST...-ME773590--14.568-
2,4-DIHYDROXYHEPTADEC-16-YN-1-YL ACETATE-ME772378--9.294-
(24E)-STIGMASTA-5,24(28)-DIEN-3BETA-OL-ME773435--13.224-
2-(4-HYDROXY-3-METHOXYPHENYL)-6-[(E)-2-(4-HYDROXY-...-ME772374--6.898-
2-[(4-METHOXY-3,5-DIMETHYL-2-PYRIDYL)METHYLTHIO]-3...-ME772710--4.544-
2-[4-(METHYLAMINO)PHENYL]ACETIC ACID-ME773402--3.928-
2-[[4-OXIDANYL-1,1-BIS(OXIDANYLIDENE)THIOLAN-3-YL]...-ME772833--1.388-
2-(4-PYRIDYL)ETHANOL-ME772178--2.32-
2-[[(4R)-4-[(3R)-3,7-DIHYDROXY-10,13-DIMETHYL-2,3,...-ME771865--5.86-
24S-HYDROXY-CHOLESTEROL24S-HydroxycholesterolME772349--11.07-
2-[5-[2-[2-[5-(2-HYDROXYBUTYL)TETRAHYDROFURAN-2-YL...-ME772432--6.058-
2-[5-[(3Z,6Z)-2,12-DIHYDROXYDODECA-3,6-DIENYL]TETR...-ME773472--3.979-
2,5,7,8-TETRAMETHYL-2-[(3E,7E)-4,8,12-TRIMETHYLTRI...-ME772799--12.467-
2,5,7-TRIMETHYL-4-QUINOLONE-ME773519--1.967-
2,5,8,11-TETRAOXATRIDECAN-13-OL-ME773072--3.016-
25-HYDROXY-CHOLESTEROL25-HydroxycholesterolME772345--11.103-
25-HYDROXYVITAMIN D325-Hydroxyvitamin D3ME772424--10.374-
[2-(5-KETOPHENOTHIAZIN-10-YL)-1-METHYL-ETHYL]-DIME...-ME773443--5.675-
2-[(5-METHYL-2-THIENYL)METHYLAMINO]BUTAN-1-OL-ME771995--4.164-
(25R)-CHOLEST-5-ENE-3BETA,7ALPHA,26-TRIOL-ME772795--9.892-
(25R)-SPIROST-5-EN-3BETA-YL ALPHA-L-RHAMNOPYRANOSY...-ME772910--7.763-
(25S)-3-OXOCHOLEST-7-EN-26-OIC ACID-ME772828--10.088-
2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAEN-1-YLOXY...-ME772129--11.587-
2,6-DIAMINO-4-(PIPERIDIN-1-YL)PYRIMIDIN-1-IUM-1-OL...-ME773705--4.011-
2,6-DIAMMONIOPIMELATE-ME771891--0.649-
2,6-DIMETHYL-4-(METHYLTHIO)PHENOL-ME772531--5.766-
2,6-DIMETHYLISONICOTINIC ACID-ME772417--1.986-
2,6-DITERT-BUTYL-4-(MORPHOLINOMETHYL)PHENOL-ME773345--7.123-
2,6-DI-TERT-BUTYLCYCLOHEXA-2,5-DIENE-1,4-DIONE2,6-Di-tert-butylbenzoquinoneME773507--5.335-
2-[[(6-METHOXY-1H-BENZIMIDAZOL-2-YL)THIO]METHYL]-3...-ME772511--4.903-
2,6-PYRIDINEDICARBOXYLIC ACID2,6-Pyridinedicarboxylic acidME771966--0.794-
2,7,8-TRIMETHYL-2-[(3E,7E)-4,8,12-TRIMETHYLTRIDECA...-ME772657--13.078-
2-(7H-PURIN-6-YLAMINO)ACETIC ACID-ME772740--1.867-
2-(7-KETO-6-METHYL-OCTYL)-2H-FURAN-5-ONE-ME772558--5.829-
2,8-DIAZASPIRO[5.5]UNDECANE-1,7-QUINONE-ME772580--3.209-
2-[[(9~{Z},12~{Z})-OCTADECA-9,12-DIENOYL]AMINO]ACE...-ME773024--9.663-
2-ACETAMIDO-2-DEOXY-D-GALACTITOLN-AcetylgalactosaminitolME772176--0.656-
2-ACETAMIDO-3-[[(2E,6E,10E)-3,7,11,15-TETRAMETHYLH...-ME772685--10.742-
2-ACETAMIDO-3-METHYL-BUTYRIC ACID (3-KETO-6,6,9A-T...-ME772315--7.031-
2-(ACETYLAMMONIO)-4-METHYL-VALERATE-ME771971--2.431-
2-ADAMANTYL-(4-BROMOPHENYL)AMINE-ME772513--9.104-
2-AMINO-1-(2,5-DIMETHOXYPHENYL)ETHAN-1-OL-ME773599--1.603-
2-AMINO-2-CYCLOPENTYL-ACETIC ACID-ME772972--2.016-
2-AMINO-2-METHYL-BUTYRIC ACID-ME772236--1.405-
2-AMINO-2-METHYL-GLUTARIC ACID-ME772726--1.551-
2-AMINO-3-(1H-IMIDAZOL-5-YL)PROPAN-1-OL-ME773076--1.749-
2-AMINO-3-(1H-INDOL-3-YL)PROPANOIC ACID-ME771942--2.132-
2-AMINO-3-(1H-INDOL-3-YL)PROPIONIC ACID METHYL EST...-ME772443--3.726-
2-AMINO-3-(2-HYDROXYPHENYL)PROPANOIC ACIDo-TyrosineME773634--3.1-
2-AMINO-3-(3,4-DIHYDROXYPHENYL)PROPANOIC ACID-ME772956--1.035-
2-AMINO-3-[4-(CARBOXYMETHYL)PHENYL]PROPIONIC ACID-ME772489--1.806-
2-AMINO-3-[4-HYDROXY-3-(3-METHYLBUT-2-ENYL)PHENYL]...-ME773580--2.181-
2-AMINO-3-(5-METHOXY-1H-INDOL-3-YL)PROPIONIC ACID-ME772472--3.009-
(2-AMINO-3,6-DIMETHYL-PHENYL)AMINE-ME772798--3.015-
2-AMINO-3-CYCLOHEXYL-PROPAN-1-OL-ME773498--11.202-
2-AMINO-3-METHYLBUTANOIC ACID-ME771912--0.708-
2-AMINO-4-(2-AMINO-3-HYDROXYPHENYL)-4-OXOBUTANOIC ...HydroxykynurenineME772894--1.155-
2-AMINO-4-TERT-BUTYL-PHENOL-ME772783--5.064-
2-AMINO-5-METHYL-HEXANOIC ACID-ME772205--2.141-
2-AMINO-5-METHYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL...-ME773126--1.467-
2-AMINO-5-OXOHEXANOIC ACID-ME772468--0.891-
2-AMINO-5-PROPYL-THIOPHENE-3-CARBOXYLIC ACID METHY...-ME773380--7.488-
2-AMINO-6-UREIDO-HEXANOIC ACID-ME771973--0.882-
(2-AMINOETHOXY)[(2R)-2,3-BIS[(9Z,12Z,15Z)-OCTADECA...-ME772940--11.853-
(2-AMINOETHOXY)[(2R)-2,3-BIS[(9Z,12Z)-OCTADECA-9,1...-ME772830--11.576-
(2-AMINOETHOXY)[(2R)-2,3-BIS[(9Z)-HEXADEC-9-ENOYLO...-ME772679--10.384-
(2-AMINOETHOXY)[(2R)-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,...-ME772879--11.839-
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-E...-ME773476--11.039-
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)...-ME773132--11.69-
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(PENTADECANOYLOXY...-ME773203--10.048-
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(TETRADECANOYLOXY...-ME773524--9.702-
(2-AMINOETHOXY)[(2R)-3-(HEPTADECANOYLOXY)-2-HYDROX...-ME773532--11.285-
(2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-HYDROXY...-ME773690--10.802-
2-AMINOETHYL-METHYL-PHENYL-AMINE-ME772235--3.059-
2-AMINOHEPTANEDIOIC ACID-ME772420--0.521-
2-AMINOINDANE-2-CARBOXYLIC ACID-ME772856--2.148-
2-AMMONIO-3-(3,4-DIHYDROXYPHENYL)-2-METHYL-PROPION...-ME773166--2.805-
2-AMMONIO-4-[(2-AMMONIO-2-CARBOXYLATO-ETHYL)THIO]B...-ME772340--1.039-
2-ANILINOPROPIONIC ACID-ME773012--2.185-
2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-4-YL)PROPANOAT...-ME772076--1.143-
2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-5-YL)PROPANOAT...-ME771900--0.73-
2-AZANYL-N-(1-AZANYL-4-METHYL-1-OXIDANYLIDENE-PENT...-ME772736--4.245-
2-AZASPIRO[4.5]DECAN-3-ONE-ME772380--4.942-
2-BENZOFURAN-1,3-DIONE-ME773356--8.806-
2-BENZOYLOXYETHYL(TRIMETHYL)AMMONIUM-ME773252--3.2-
[2-(BUTANOYLOXY)ETHYL]TRIMETHYLAZANIUMButyrylcholineME773681--2.122-
2-BUTYL-3-METHYL-PYRAZINE-ME773287--2.219-
2-CHLORO-1-(3,4-DIHYDRO-2H-QUINOLIN-1-YL)ETHANONE-ME773174--3.052-
2-CHLOROBENZHYDROL-ME772394--7.499-
2-CHLORO-N-(1-CYANOCYCLOHEPTYL)ACETAMIDE-ME772142--4.129-
2-CHLORO-N-P-PHENETYL-PROPIONAMIDE-ME773142--3.108-
(2-CHLOROPHENYL)(6,7-DIHYDROTHIENO[3,2-C]PYRIDIN-5...-ME772146--4.237-
(2-COUMARAN-5-YL-1-METHYL-ETHYL)-METHYL-AMINE-ME773462--2.434-
2-CYCLOHEXYL-2-OXIDANYL-2-PHENYL-ETHANOIC ACID-ME773046--5.527-
2-CYCLOPROPYLACETIC ACID-ME772474--0.676-
2-DEC-9-ENYLGLUTARIC ACID-ME772072--5.947-
2-(DIETHYLAMINO)ETHAN-1-OL-ME772049--2.284-
2-(DIMETHYLAMINO)-7H-HYPOXANTHINE-ME772997--2.067-
(2E,10E)-11-(1,3-BENZODIOXOL-5-YL)-1-PIPERIDINO-UN...-ME772103--10.569-
(2E)-1-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)BUT-2-EN...-ME773134--0.855-
(2E)-2-HEPTYLIDENECYCLOHEXANONE-ME773173--3.151-
(2E)-3-(4-HYDROXY-3-METHOXYPHENYL)-N-[2-(4-HYDROXY...-ME772599--4.806-
(2E)-3-(4-HYDROXYPHENYL)-N-(4-{[(2E)-3-(4-HYDROXYP...-ME773455--4.454-
(2E)-3-[(4S,7R,7AR)-3,7-DIMETHYL-2,4,5,6,7,7A-HEXA...-ME772192--6.685-
(2E,4E,10E)-11-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERI...-ME772036--10.232-
(2E,4E,10Z)-N-ISOBUTYLHEXADECA-2,4,10-TRIENAMIDE-ME772730--11.955-
(2E,4E)-12-HYDROXY-3,5,7-TRIMETHYL-13-METHYLOL-TET...-ME772722--5.496-
(2E,4E,14E)-15-(1,3-BENZODIOXOL-5-YL)-N-ISOBUTYL-P...-ME772170--11.635-
(2E,4E,14Z)-N-(2-METHYLPROPYL)ICOSA-2,4,14-TRIENAM...-ME772255--12.626-
(2E,4E)-5-(1-HYDROXY-4-KETO-2,6,6-TRIMETHYL-CYCLOH...-ME773244--2.982-
(2E,4E)-6,7-DIHYDROXYOCTA-2,4-DIENOIC ACID [(5R,9A...-ME773120--3.876-
(2E,4E,6E)-11-(1,3-BENZODIOXOL-5-YL)-N-ISOBUTYL-UN...-ME772362--9.663-
(2E,4E,6E,8E)-9-(3-HYDROXY-2,6,6-TRIMETHYLCYCLOHEX...-ME773177--6.558-
(2E,4E,6E,8E)-9-(3-HYDROXY-2,6,6-TRIMETHYLCYCLOHEX...-ME773329--5.131-
(2E,4E,6S)-8-HYDROXY-4-METHYL-6-METHYLOL-OCTA-2,4-...-ME773427--2.982-
(2E,4E,7R)-11-[(2R,3R)-3-(HYDROXYMETHYL)-4-OXOOXET...-ME773424--3.508-
(2E,4E,8E)-9-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDI...DehydropipernonalineME772435--9.026-
(2E,4E,8Z,10Z)-N-ISOBUTYLDODECA-2,4,8,10-TETRAENAM...-ME773602--11.51-
(2E,4E,9Z,12Z)-1-PIPERIDINOOCTADECA-2,4,9,12-TETRA...-ME773066--12.622-
2E,4E-DODECADIENOIC ACID2E,4E-Dodecadienoic acidME773257--8.017-
(2E,4E)-N-(2-METHYLPROPYL)OCTADECA-2,4-DIENAMIDENA-PipericineME772739--12.493-
(2E,4E)-N-ISOBUTYL-2,4-DODECADIENAMIDE-ME772040--9.687-
(2E)-4-HYDROPEROXYNON-2-ENAL-ME773563--10.411-
(2E)-4-OXONON-2-ENAL-ME773542--11.198-
(2E)-5-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL...PiperanineME772727--6.968-
(2E)-5-(2H-1,3-BENZODIOXOL-5-YL)-N-(2-METHYLPROPYL...-ME772126--6.015-
(2E,5E)-3,5,7-TRIMETHYLOCTA-2,5-DIENEDIOIC ACID-ME772944--2.324-
(2E,6E,10Z)-12-HYDROXY-6-METHYL-10-METHYLOL-2-(4-M...-ME773236--5.277-
(2E,8E)-9-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1...-ME772686--9.351-
[2-[(E)-BUT-2-ENOYL]OXY-3-CETYLOXY-PROPYL] 2-(TRIM...-ME773553--11.941-
(2E)-DODEC-2-ENAL-ME773554--7.209-
(2E)-N-[2-(4-METHOXYPHENYL)ETHYL]-3-PHENYLPROP-2-E...-ME773162--1.813-
(2E)-N-[2-HYDROXY-2-(4-HYDROXYPHENYL)ETHYL]-3-(4-H...-ME772906--3.594-
2-ETHOXY-3,3-DIMETHYL-2,3-DIHYDRO-1-BENZOFURAN-5-Y...-ME772356--5.32-
2-ETHYL-3-METHYLPYRAZINE-ME772498--3.861-
[(2-ETHYL-6-METHYLPHENYL)(1-METHOXYPROPAN-2-YL)AMI...Glyoxylic acidME772500--5.702-
(2E)-TRIDEC-2-ENAL-ME773604--11.263-
2-FORMAMIDO-3-(1H-INDOL-3-YL)PROPIONIC ACID-ME772779--2.01-
2-HEXYLGLUTARIC ACID-ME773392--8.727-
2-(HEXYLOXY)BENZAMIDE-ME772111--6.384-
2-HYDROXY-2-(2-KETO-2-METHOXY-ETHYL)SUCCINIC ACID-ME773686--9.745-
2-HYDROXY-2-(4-HYDROXYBENZYL)-3-[(E)-3-(4-HYDROXY-...-ME772088--2.437-
2-HYDROXY-2-METHYL-BUTYRIC ACID2-Hydroxy-2-methyl-butyric acidME772527--1.694-
2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACIDIndolelactic acidME772983--2.007-
2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACIDHydroxyphenyllactic acidME771905--0.885-
[2-HYDROXY-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-P...-ME772826--10.14-
2-HYDROXY-3-(PROPAN-2-YL)BUTANEDIOIC ACID-ME772780--0.514-
2-HYDROXY-4-METHOXYBENZOIC ACID-ME772554--2.065-
{2-[HYDROXY(4-OXOCYCLOHEXA-2,5-DIEN-1-YLIDENE)METH...-ME773129--1.47-
2-HYDROXY-5'-KETO-1',4,4'A-TRIMETHYL-4-VINYL-SPIRO...-ME772419--5.881-
2-HYDROXY-6-[(Z)-NONADEC-8-ENYL]BENZOIC ACID-ME773290--8.6-
2-HYDROXYFLUORENE2-HydroxyfluoreneME773059--6.064-
2-(HYDROXYMETHYL)-2-(METHOXYMETHYL)-1-AZABICYCLO[2...-ME772051--2.75-
2-HYDROXY-N-TETRALIN-1-YL-ACETAMIDE-ME773131--11.51-
2-INDOL-1-YLACETAMIDE-ME773289--5.206-
2-ISOBUTYLMALONIC ACID DIMETHYL ESTER-ME772233--5.096-
2-[ISOPROPOXY-(4-PHENYLPHENYL)SULFONYL-AMINO]ETHAN...-ME772680--6.179-
2-(ISOVALERYLAMINO)-3-METHYL-BUTYRIC ACID-ME773431--0.732-
2-MESITYLPROPAN-2-OL-ME772391--7.672-
2-METHOXY-4-[(1E)-PROP-1-EN-1-YL]PHENYL ACETATE-ME772364--6.526-
2-METHOXY-6-PENTYL-1,4-BENZOQUINONE-ME773629--3.314-
2-METHYL-2-(4-NITROPHENOXY)PROPIONIC ACID-ME773706--0.479-
2-METHYL-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE-ME773605--4.525-
2-METHYL-4-(METHYLAMINO)PHENOL-ME773064--3.579-
2-METHYLACRYLIC ACID [(3S,4R,8R,9E)-6,14-DIKETO-10...-ME772409--6.615-
2-(METHYLAMINO)-1-PHENYL-BUTAN-1-ONE-ME772149--5.435-
2-METHYLBUTYRIC ACID [(3AS,6R,7S,8S,8AR)-7-[(E)-BU...-ME773184--1.531-
2-METHYLOL-6-[(3,4,14-TRIHYDROXY-5,5,14-TRIMETHYL-...-ME772010--6.348-
2-METHYLOL-6-[[3,4,5-TRIHYDROXY-6-(19-HYDROXY-4',7...-ME772234--7.168-
(2-METHYLOLNORBORNAN-2-YL)METHANOL-ME773514--11.509-
2-OCT-7-ENYLGLUTARIC ACID-ME772915--3.258-
2-OXO-2-[PHENYL(PROPAN-2-YL)AMINO]ETHANESULFONIC A...-ME772050--2.984-
2-(PHENOXYMETHYL)-1,3-BENZOTHIAZOLE-ME772885--5.687-
2-PHENOXYPROPIONIC ACID ETHYL ESTER-ME772354--6.473-
2-PHENYL-2-(PHENYLTHIO)ACETOHYDRAZIDE-ME773139--2.667-
2-PHENYLACETIC ACID [(1'R,2R,3'Z,5'R,7'S,11'S,12'R...-ME773540--5.405-
(2-PHENYLPHENYL)METHANAMINE-ME773030--7.5-
2-PROP-2-YNYLOCTANOIC ACID-ME773192--8.035-
2-(PYRIDIN-2-YLFORMAMIDO)ACETIC ACID-ME772544--1.561-
2-PYRIDYL-(3,4,5-TRIMETHOXYBENZYL)AMINE-ME772358--4.828-
(2R)-1-(2-HYDROXYETHYL)-2,5,5,8A-TETRAMETHYL-DECAL...-ME771999--7.624-
(2R)-1-(HEXADECANOYLOXY)-3-HYDROXYPROPAN-2-YL (9Z)...-ME773670--14.974-
(2R)-1-HYDROXY-3-(OCTADECANOYLOXY)PROPAN-2-YL (9Z)...-ME773536--15.568-
(2R)-2-[(1S)-1-HYDROXYETHYL]-4-[(2S,3S)-3-METHYLOX...-ME773603--0.509-
(2R)-2-[(2R,5S)-5-[(2S)-2-HYDROXYBUTYL]TETRAHYDROF...-ME773261--6.033-
(2R)-2-[[(2S)-2-AMINO-5-GUANIDINO-PENTANOYL]AMINO]...-ME772966--2.146-
(2R)-2-[[(2S)-2-AMINOPROPANOYL]AMINO]-3-PHENYL-PRO...-ME772640--3.159-
(2R)-2-[[(2S)-2-AMMONIOPROPANOYL]AMINO]-3-(4-HYDRO...-ME772008--0.886-
[(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY][2-(...-ME772987--11.434-
[(2R)-2,3-BIS(HEXADECANOYLOXY)PROPOXY][2-(METHYLAM...-ME772744--11.594-
(2R)-2-AMINO-3-[(5-ACETAMIDO-2-HYDROXYPHENYL)SULFA...-ME772493--1.568-
(2R)-2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID-ME773434--1.247-
(2R)-2-AMINOBUTANEDIOIC ACIDD-Aspartic acidME771872--0.509-
(2R)-2-AZANIUMYL-2-CYCLOHEXYLACETATE-ME772929--2.253-
[(2R)-2-(METHYLCARBAMOYLOXY)-3-OCTOXY-PROPYL] 2-(T...-ME773439--0.505-
(2R)-3-(DECANOYLOXY)-2-(DODECANOYLOXY)PROPYL TETRA...-ME773275--15.813-
(2R)-3-HYDROXYPROPANE-1,2-DIYL (9Z,12Z,15Z,9'Z,12'...-ME773503--14.001-
(2R)-3-HYDROXYPROPANE-1,2-DIYL DIHEXADECANOATE-ME773300--14.93-
(2R,3R)-2,3-BIS[(3-HYDROXYPHENYL)METHYL]BUTANE-1,4...EnterodiolME772177--5.08-
(2R,3R)-3-(ISOPROPYLAMINO)-1-(7-METHYLINDAN-4-YL)O...-ME772899--7.715-
(2R,3R,4R,5R)-2,3,5,6-TETRAHYDROXY-4-[(2R,3R,4S,5S...-ME772158--1.317-
(2R,3R,4R,5S)-6-(METHYLAMINO)HEXANE-1,2,3,4,5-PENT...-ME771920--0.735-
(2R,3R,4S,5R,6R)-2-[[7-[(2R,3R,4R,5S)-3,4-DIHYDROX...-ME772478--6.383-
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(1S)-1-[(...-ME772273--6.886-
(2R,3R,4S,5S,6R)-2-[3-HYDROXY-2-(4-HYDROXY-3-METHO...-ME772763--2.559-
(2R,3R,4S,5S,6R)-2-[(3-HYDROXY-2,6,6-TRIMETHYL-CYC...-ME772974--5.086-
(2R,3R)-5-[(1E,3E)-HEPTA-1,3-DIENYL]-2,3-DIHYDROXY...-ME773381--2.31-
(2R,3S,4R,5R)-2,3,4,5-TETRAHYDROXY-6-[(2R,3R,4R,5R...-ME773170--10.479-
(2R,3S,4R,5R)-2-ADENIN-9-YL-4-FLUORO-5-METHYLOL-TE...-ME772712--1.42-
[(2R,3S,4R,5R,6R)-5-AMINO-3,4,6-TRIHYDROXY-TETRAHY...MethanolphosphateME772986--1.228-
(2R,3S,4R,5S)-HEXANE-1,2,3,4,5-PENTOL-ME772818--1.275-
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-DIHYDROXY-4-ME...-ME772366--2.961-
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-DIHYDROXY-4-ME...-ME773451--3.684-
(2R,3S,4S,5S,6R)-2-[7-HYDROXY-4-[(Z)-5-HYDROXY-3-M...-ME772388--6.737-
2R,5,8-TRIMETHYL-2-[(3E,7E)-4,8,12-TRIMETHYLTRIDEC...-ME772197--13.066-
[(2R,5S)-5-PHENYLTETRAHYDROFURAN-2-YL]METHYLAMINEMethylamineME773270--8.953-
(2R)-6-ACETAMIDO-2-AMINO-HEXANOIC ACID-ME772172--0.725-
(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-HYDROXY-3-...-ME772804--9.235-
(2R)-7,13-DIAZATETRACYCLO[7.7.1.02,7.013,17]HEPTAD...-ME773090--2.339-
(2R,7R,8R,9R,10S,20S)-7,8,9,19-TETRAHYDROXY-2,6,10...-ME772370--4.934-
(2R)-N-METHANESULFONYL-2-[4-(2-METHYLPROPYL)PHENYL...-ME773342--11.494-
(2S)-1-[(2S)-2-AMINO-3-CARBOXYPROPANOYL]PYRROLIDIN...-ME772863--0.502-
(2S)-1-[(2S)-2-AMINO-3-PHENYLPROPANOYL]PYRROLIDINE...-ME772935--3.363-
(2S)-1-[(2S)-2-AMINO-4-CARBOXYBUTANOYL]PYRROLIDINE...-ME773023--1.161-
(2S)-1-[6-AZANYL-2-[[(2S)-1-OXIDANYL-1-OXIDANYLIDE...-ME771947--2.589-
(2S)-1-[(9Z)-HEXADEC-9-ENOYLOXY]-3-HYDROXYPROPAN-2...-ME773135--14.327-
(2S)-1-[(9Z)-HEXADEC-9-ENOYLOXY]-3-HYDROXYPROPAN-2...-ME773215--14.614-
(2S)-1-ACETYLPYRROLIDINE-2-CARBOXYLIC ACID-ME771892--1.18-
(2S)-1-(HEXADECANOYLOXY)-3-HYDROXYPROPAN-2-YL (9Z,...-ME773582--14.411-
(2S)-1-(HEXADECANOYLOXY)-3-HYDROXYPROPAN-2-YL (9Z,...-ME773558--14.697-
(2S)-1-(HEXADECANOYLOXY)-3-HYDROXYPROPAN-2-YL (9Z)...-ME773093--14.533-
(2S)-1-HYDROXY-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOX...-ME773457--14.209-
(2S)-1-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPAN-2...-ME773105--15.711-
(2S)-1-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPAN-2...-ME773226--16.43-
(2S)-1-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPAN-2...-ME773140--14.72-
(2S)-1-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPAN-2...-ME771997--12.621-
(2S)-1-HYDROXY-3-(OCTADECANOYLOXY)PROPAN-2-YL (9Z,...-ME773102--15.173-
(2S)-1-HYDROXY-3-(OCTADECANOYLOXY)PROPAN-2-YL OCTA...-ME772858--12.365-
(2S)-1-HYDROXY-3-(PENTADECANOYLOXY)PROPAN-2-YL (9Z...-ME773235--14.791-
(2S)-1-HYDROXY-3-(TETRADECANOYLOXY)PROPAN-2-YL HEX...-ME773415--14.423-
(2S)-2-(2-AZANIUMYLACETAMIDO)-3-PHENYLPROPANOATE-ME772382--2.075-
(2S)-2-[[(2R)-2-AZANYL-3-METHYL-BUTANOYL]AMINO]-3-...-ME772518--3.637-
(2S)-2-[[(2R,3R)-3-AMMONIO-2-HYDROXY-4-PHENYL-BUTA...-ME772901--4.255-
(2S)-2-[[(2R,3S)-2-AZANYL-3-METHYL-PENTANOYL]AMINO...-ME772081--4.234-
(2S)-2-[[(2R,3S)-2-AZANYL-3-METHYL-PENTANOYL]AMINO...-ME772563--3.026-
(2S)-2-[[(2R,3S)-2-AZANYL-3-METHYL-PENTANOYL]AMINO...-ME772946--4.542-
(2S)-2-[(2S)-2-AMINO-4-CARBAMOYLBUTANAMIDO]-3-METH...-ME772557--1.052-
(2S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-4-METHYL...-ME773021--0.792-
(2S)-2-[[(2S)-2-AZANYL-3-(1H-INDOL-3-YL)PROPANOYL]...-ME772441--3.185-
(2S)-2-{[(5S)-5-AMINO-5-CARBOXYPENTYL]AMINO}PENTAN...SaccharopineME773057--0.552-
(2S)-2,6-DIAMINO-5-[(3R,4S,5R,6R)-3,4,5-TRIHYDROXY...-ME772659--0.809-
(2S)-2-({9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-[(PHOSPH...-ME772625--0.66-
(2S)-2-ACETAMIDO-3-METHYL-BUTYRIC ACID [(5AS,9S,9A...-ME772583--7.685-
(2S)-2-AMINO-2-(3-CHLOROPHENYL)ACETIC ACID-ME772532--2.92-
(2S)-2-AMINO-3-{2,4-DIOXO-1H,2H,3H,4H,5H,6H,7H-CYC...-ME772916--1.562-
(2~{S})-2-AMINO-3-BENZOXY-PROPIONIC ACID-ME772322--2.238-
(2S)-2-AMINO-3-METHYL-1-(PYRROLIDIN-1-YL)BUTAN-1-O...-ME772331--3.607-
(2S)-2-AMINO-4-(BUTYLSULFONIMIDOYL)BUTANOIC ACID-ME773335--0.845-
(2S)-2-AMINO-5-ETHANIMIDAMIDOPENTANOIC ACID-ME773594--14.119-
(2S)-2-AMINO-5-GUANIDINO-VALERIC ACID METHYL ESTER-ME773058--0.835-
(2S)-2-AMINO-6-(DIMETHYLAMINO)HEXANOIC ACID-ME773657--0.932-
(2S)-2-AMMONIO-3-(4-TERT-BUTOXYPHENYL)PROPIONATE-ME773547--0.908-
(2S)-2-(CARBAMOYLAMINO)-3-PHENYLPROPANOIC ACID-ME772350--2.312-
(2S)-2-HYDROXY-2-PHENYLPROPANOIC ACIDAtrolactic acidME772613--1.906-
(2S)-2-(P-TOLYL)CHROMAN-4-ONE-ME773246--1.595-
(2S)-2-[[(Z)-HEXADEC-9-ENOYL]AMINO]-3-PHENYL-PROPI...-ME772635--10.344-
(2S)-3-(1H-IMIDAZOL-5-YL)-2-[[(2S)-PROLYL]AMINO]PR...-ME772048--1.992-
[(2S)-3-[[(2R)-3-[(Z)-OCTADEC-9-ENOYL]OXY-2-OXIDAN...-ME772251--10.425-
(2S)-3-(4-HYDROXYPHENYL)-2-[[(9Z,12Z,15Z)-OCTADECA...-ME773183--0.903-
(2S)-3-HYDROXY-2-[(9Z,12Z,15Z)-OCTADECA-9,12,15-TR...-ME773395--15.454-
(2S)-3-HYDROXY-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOX...-ME773684--15.279-
(2S)-3-HYDROXY-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOX...-ME773710--15.897-
(2S)-3-HYDROXY-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOX...-ME773654--16.656-
(2S)-3-HYDROXY-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOX...-ME773448--15.862-
(2S)-3-HYDROXY-2-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL D...-ME773357--17.379-
(2S,3R)-3-HYDROXY-2-(METHYLAMINO)BUTYRIC ACID-ME772090--0.849-
(2S,3R)-4-METHYLENE-5-OXO-2-PROPYL-3-OXOLANECARBOX...-ME773551--1.465-
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S...-ME772738--7.209-
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-HYDROXY-6-[...-ME772510--6.131-
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-5-[(2S,3R,4S,...-ME772470--7.265-
(2S,3R,4S,4AR,6AR,8AS,12AS,13S,14AR,14BR)-13-(CHLO...-ME772133--8.625-
(2S,3R,4S,5S)-4-AZANYL-2-[6-(DIMETHYLAMINO)PURIN-9...-ME772796--3.344-
(2S,3R,4S,5S,6R)-2-[[(1S,4AR,7AS)-7-METHYLOL-1,4A,...-ME772189--2.517-
(2S,3R,4S,5S,6R)-2-(3-HYDROXY-5-METHYL-PHENOXY)-6-...-ME773047--2.061-
(2S,3R)-5-KETO-4-METHYLENE-2-OCTYL-TETRAHYDROFURAN...-ME773596--1.896-
(2S,3S)-2-[(2S)-2-AMINO-4-CARBAMOYLBUTANAMIDO]-3-M...-ME772989--1.652-
(2S,3S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-3-MET...-ME772822--0.81-
[(2S,3S)-3-PHENYLOXIRAN-2-YL]METHANOLMethanolME772702--2.645-
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[[(3S,5S,8R,9S...-ME772900--5.956-
(2S,3S,4S,5R,6R)-6-[[(2S,3R,4R,5R,6AR,6BS,8AS,12AS...-ME772141--5.446-
(2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,6AR,6BS,8AS,14BR)-4...-ME772785--5.414-
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6AR,6BS,8AR,9R,12AS,14...-ME772700--7.249-
(2S,3S,4S,5R,6R)-6-[[4-CARBOXY-8A-[(2S,3R,4S,5S,6R...-ME772270--5.202-
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-[2-HYDROXY-4-(...-ME773160--4.88-
(2S,3S,4S,5R,6S)-6-[[(1S,2S,6R,14R,15R,16R)-5-(CYC...-ME773179--11.14-
(2S,3S,4S,5R,6S)-6-[2-[1-[[[(1R)-1-[3-[(E)-2-(7-CH...-ME773560--9.457-
(2S,3S,4S,5R,6S)-6-[[(4R,4AS,7AR,12BS)-4A-HYDROXY-...-ME773283--4.763-
(2S,3S,4S,5R,6S)-6-[(7-CHLORO-2-KETO-1-METHYL-5-PH...-ME773328--6.2-
(2S,3S)-5-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-2-(4-...-ME772619--7.176-
(2S,3S,9R,13R,14S,16R)-17-[(1R)-1,2-DIHYDROXY-1,5-...-ME772864--5.923-
(2S,4AR,6R,7R,7AS)-6-(6-AMINO-9H-PURIN-9-YL)-7-HYD...-ME772821--1.419-
(2S)-4-CARBAMOYL-2-ACETAMIDOBUTANOIC ACID-ME771908--0.492-
(2S,4S)-4-CYCLOHEXYLPROLINE-ME773002--4.893-
(2S,4S,5S,6R)-6-METHYLTETRAHYDROPYRAN-2,4,5-TRIOL-ME773199--2.186-
(2S)-5-GUANIDINO-2-(METHYLAMINO)VALERIC ACID-ME772607--1.309-
(2S)-6-AMINO-2-[(2S)-2-(2-AMINOACETAMIDO)-3-(1H-IM...-ME772565--0.802-
(2S,6S,10S,15S,20S,23R)-6,10,23-TRIMETHYL-4-AZAHEX...-ME772363--8.929-
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-6-METHYLOL-...-ME772018--4.524-
(2S,8R)-8-HYDROXY-2-[(1S)-1-HYDROXYHEPTYL]-2,3,4,6...-ME772346--5.868-
(2-TERT-BUTYLPHENYL)AMINE-ME773095--4.395-
(2Z,4E)-5-[(1R,3R,5R,8S)-3,8-DIHYDROXY-1,5-DIMETHY...-ME773648--1.771-
(2Z)-4-KETO-3-METHOXY-5-METHYL-HEXA-2,5-DIENOIC AC...-ME773608--0.631-
3,12-DIHYDROXY-4,6A,6B,11,12,14B-HEXAMETHYL-1,2,3,...-ME772859--7.945-
3-[18-(2-CARBOXYETHYL)-3,7,12,17-TETRAMETHYL-8,13-...-ME773700--9.358-
3-[(1E,3E)-HEPTA-1,3-DIENYL]GLUTARIC ACID-ME773538--2.141-
3-(1H-INDOL-3-YL)-2-(TRIMETHYLAMMONIO)PROPIONATE-ME773112--2.127-
3-(1-HYDROXY-4-METHYL-HEXYL)-5-METHYLOL-TETRAHYDRO...-ME772476--5.328-
3-(1-HYDROXY-4-METHYL-PENTYL)-5-METHYLOL-TETRAHYDR...-ME773430--1.904-
3-(1-HYDROXY-5-METHYL-HEXYL)-5-METHYLOL-TETRAHYDRO...-ME772169--3.713-
3-(1-HYDROXYHEXYL)-4-METHYLOL-TETRAHYDROFURAN-2-ON...-ME772642--3.465-
3-(1-HYDROXYHEXYL)-5-METHYLOL-TETRAHYDROFURAN-2-ON...-ME773447--2.161-
3-(2,3-DIKETOINDOLIN-1-YL)PROPIONIC ACID-ME771991--3-
3-(2,3-DIMETHYL-2-{[(2-OXO-2H-CHROMEN-7-YL)OXY]MET...-ME773176--1.921-
3-[(2,4-DIHYDROXY-3,3-DIMETHYL-BUTANOYL)AMINO]PROP...-ME771890--1.103-
3-(2,5-DIMETHYLPYRROL-1-YL)-4-HYDROXY-BENZOIC ACID-ME773600--2.751-
3-(2-HYDROXYPHENYL)PROPANOIC ACID3-(2-Hydroxyphenyl)propanoic acidME772107--2.753-
3-(2-METHYLPYRAZOL-3-YL)PROPIONIC ACID-ME772066--0.927-
[3-(2-PHENOXYETHOXY)PHENYL]AMINE-ME773168--2.957-
3-(2-PYRIDYL)PROPAN-1-OL-ME773214--0.934-
3-[(2S)-6-HYDROXY-2,5,7,8-TETRAMETHYL-CHROMAN-2-YL...-ME773124--2.898-
3-[(2Z)-2-[[3-(2-CARBOXYETHYL)-5-[[(2S)-3-ETHYL-4-...-ME772444--5.359-
3-[3-[(4-FLUOROPHENYL)SULFONYLAMINO]-1,2,3,4-TETRA...-ME772482--4.468-
3,3'-(7,12-DIETHYL-3,8,13,17-TETRAMETHYLPORPHYRIN-...-ME772876--8.281-
3-(3-CARBOXYPROPANOYLAMINO)-4-METHYL-BENZOIC ACID-ME773490--0.84-
3-[(3E,7E)-4,8-DIMETHYL-10-(2,6,6-TRIMETHYLCYCLOHE...-ME773312--7.929-
3-(3-HYDROXYPHENYL)PROPANOIC ACID3-(3-Hydroxyphenyl)propanoic acidME772750--3.002-
3-(3-KETO-2-METHYL-2,5,6,7,8,8A-HEXAHYDRO-1H-NAPHT...-ME772835--4.312-
3-(3-NITROPHENYL)-5-PHENETHYL-1,2,4-OXADIAZOLE-ME773049--6.517-
3-{3-OXO-2H,3H-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-2-YL}...-ME772182--1.702-
3-[4-(1-CARBOXYETHYL)PHENYL]-2-METHYLPROPANOIC ACI...CarboxyibuprofenME773185--1.609-
3-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]-...-ME773097--3.345-
3,4,5-TRIMETHOXYPHENOL-ME772918--3.41-
3,4,5-TRIMETHYLPHENYL METHYLCARBAMATE-ME773118--3.567-
3,4,7-TRIMETHYL-2E,6-OCTADIEN-1-OL-ME773713--11.563-
3-(4-AMINO-1-OXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)PIPE...-ME773230--0.901-
3,4-DIMETHOXYPHENOL-ME773546--12.05-
3-(4-HYDROXYBENZYL)-2,3,6,7,8,8A-HEXAHYDROPYRROLO[...-ME772505--3.189-
3-(4-HYDROXYPHENYL)-2-(METHYLAMMONIO)PROPIONATE-ME772031--1.09-
3-(4-NITROPHENYL)PROPANOIC ACID-ME772926--1.006-
3-(4-TERT-BUTYLPHENYL)-2-METHYLPROPANAL-ME772810--6.228-
3-[5-(3,4-DIHYDROXY-5-KETO-4-METHYL-TETRAHYDROFURA...-ME772067--3.614-
3,5-DIMETHYL 2,6-DIMETHYL-4-(2-NITROPHENYL)PYRIDIN...-ME772869--5.499-
3-(5-HYDROXY-6-KETO-2,2,7,8-TETRAMETHYL-7,8-DIHYDR...-ME773322--5.765-
3,5-LUTIDINE-ME773266--1.598-
(3,6-DIMETHYLPYRIDAZIN-4-YL)AMINE-ME773053--3.475-
3-(6-HYDROXY-2,7,8-TRIMETHYL-3,4-DIHYDRO-2H-1-BENZ...-ME772909--4.225-
3,7-DIMETHYLOCT-6-ENE-1,2,3-TRIOL-ME771989--2.555-
3-(7-METHYLOCTYL)-3,6-DIHYDRO-1H-FURO[3,4-C]FURAN-...-ME773310--0.803-
3,8A-DIMETHYL-5-METHYLENE-4A,6,7,8-TETRAHYDRO-4H-B...-ME773083--6.735-
3-(9H-PYRIDO[3,4-B]INDOL-1-YL)PROPANOIC ACID-ME772119--4.606-
3-ACETYLOXY-2-AZANIUMYL-PROPANOATE-ME771964--0.51-
3-ADENIN-9-YLPROPAN-1-OL-ME772063--1.414-
3ALPHA-3-HYDROXYTIRUCALLA-7,24-DIEN-21-OIC ACID-ME772099--10.303-
3ALPHA-HYDROXY-2ALPHA-METHYL-5ALPHA-ANDROSTAN-17-O...-ME772191--7.678-
3ALPHA-HYDROXY-7,12-DIOXO-5BETA-CHOLAN-24-OIC ACID-ME772523--5.729-
3ALPHA-HYDROXY-7-OXO-5BETA-CHOLAN-24-OIC ACID-ME772180--6.439-
3-AMINO-3-(4-PYRIDYL)PROPIONIC ACID-ME772281--1.072-
3-AMINO-4-(4-HYDROXYPHENYL)BUTYRIC ACID-ME772920--0.966-
3-AMINOADAMANTAN-1-OL-ME773193--1.367-
[3-(AMINOMETHYL)-5-METHYL-CYCLOHEXYL]METHANOLMethanolME773422--11.508-
3-AMINO-N-(3-AMINOPHENYL)BENZAMIDE-ME773429--2.092-
(3AR,4AS,7AS,8R,9AS)-4A,8-DIMETHYL-3-METHYLIDENEDE...-ME773182--4.066-
(3AR,5AS,9AS,9BR)-3A,6,6,9A-TETRAMETHYL-1,4,5,5A,7...-ME772343--7.964-
[(3AR,5R,5AS,6S,8R,8AS,9S,9AS)-8,9-DIHYDROXY-5,8A-...-ME773564--1.829-
(3AR,5S,5AS,8R,8AS,9AR)-8-HYDROXY-5,8A-DIMETHYL-1-...-ME773526--11.823-
(3AR,5S,7S,8R,8AS,9AR)-7,8-DIHYDROXY-5,8A-DIMETHYL...-ME773704--0.959-
(3AR,8R,8AR,9AR)-8-HYDROXY-8A-METHYL-3,5-DIMETHYLE...-ME772232--5.997-
(3AS,4S,4AR,5S,7S,7AS,8R,9AS)-4-HYDROXY-4A,8-DIMET...-ME772718--4.892-
(3AS,6Z,10Z,11AR)-6,10-DIMETHYL-3-METHYLENE-3A,4,5...-ME773258--11.555-
(3AS,7AR)-3A,4,7,7A-TETRAHYDROISOBENZOFURAN-1,3-QU...-ME773339--0.486-
(3AS,7AS)-3A,4,5,6,7,7A-HEXAHYDROISOBENZOFURAN-1,3...-ME773388--0.758-
3-AZANIUMYL-3-PHENYLPROPANOATE-ME772862--1.864-
(3BETA,12BETA)-12,20-DIHYDROXYDAMMAR-24-EN-3-YL 2-...-ME773535--13.954-
(3BETA)-3,23-DIHYDROXYOLEAN-12-EN-28-OIC ACID-ME773456--13.98-
(3BETA,6ALPHA,12BETA)-3,12,20-TRIHYDROXYDAMMAR-24-...-ME771998--7.657-
(3BETA)-HYDROXYCHOLEST-5-EN-26-OIC ACID-ME772961--9.302-
(3BETA)-STIGMAST-5-EN-3-YL BETA-D-GLUCOPYRANOSIDE-ME773408--13.511-
3B-HYDROXY-5-CHOLENOIC ACID3beta-Hydroxy-5-cholenoic acidME772286--7.81-
3-CARBOMETHOXYBICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLI...-ME773318--11.89-
(3-CARBOXYPROPYL)TRIMETHYLAZANIUM-ME773306--0.587-
3-CETYL-4-METHOXY-5-METHYL-TETRAHYDROFURAN-2-ONE-ME772154--12.319-
3-(CYCLOHEXYLAMINO)-5,5-DIMETHYL-CYCLOHEX-2-EN-1-O...-ME773130--2.613-
3-[(E)-2-NITROPROP-1-ENYL]-1H-INDOLE-ME772070--4.004-
3-[(E)-3,4-DIHYDROXY-3,5-DIMETHYL-HEPT-1-ENYL]-7,8...-ME773070--5.67-
(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE-ME773241--2.844-
(3E,6E,8E,12E)-11-HYDROXY-4,8,10,12-TETRAMETHYL-TE...-ME773527--0.945-
3-[(E)-PROP-1-ENYL]GLUTARIC ACID-ME772574--1.391-
3-ETHYL 5-METHYL 2-[(2-AMINOETHOXY)METHYL]-4-(2-CH...-ME771898--7.394-
3-(ETHYLIMINOMETHYLIDENEAMINO)-N,N-DIMETHYL-PROPAN...-ME772494--3.686-
3-HEXADEC-15-EN-7-YNYL-4-HYDROXY-5-METHYL-TETRAHYD...-ME772087--11.232-
[3-HEXADECOXY-2-[(8Z,11Z,14Z)-ICOSA-8,11,14-TRIENO...-ME772924--12.204-
3-(HEXADECYLOXY)PROPANE-1,2-DIOL-ME772643--12.115-
3-HYDROXY-2,3-DIHYDRO-1H-PYRROLO[2,1-B]QUINAZOLIN-...-ME773541--1.108-
[3-HYDROXY-2-[(6Z,9Z,12Z)-OCTADECA-6,9,12-TRIENOYL...-ME773313--14.011-
3-HYDROXY-2-OCTYL-GLUTARIC ACID-ME773523--5.356-
3-HYDROXY-2-[(Z)-OCT-2-ENYL]GLUTARIC ACID-ME773007--3.195-
3-HYDROXY-5-KETO-5-METHOXY-3-METHYL-VALERIC ACID-ME773587--12.331-
3-HYDROXYDODECANOIC ACID3-Hydroxydodecanoic acidME772562--6.154-
3-HYDROXY-ISOVALERIC ACID3-Hydroxyisovaleric acidME773122--17.346-
3-HYDROXY-L-PROLINEcis-3-HydroxyprolineME772057--0.55-
3-HYDROXYMETHYLGLUTARIC ACID3-Hydroxymethylglutaric acidME772600--0.489-
3-HYDROXYPYRIDINE3-HydroxypyridineME772258--1.816-
3-HYDROXYQUINUCLIDINE-3-CARBONITRILE-ME772045--1.844-
3-HYDROXYSEBACIC ACID3-Hydroxysebacic acidME772646--0.907-
3-INDOLEPROPIONIC ACID3-Indolepropionic acidME771893--2.602-
3-ISOBUTYL-3A,4,5,6-TETRAHYDRO-3H-ISOBENZOFURAN-1-...-ME772127--5.364-
3-KETOCHOLESTEROL3-KetocholesterolME773222--13.872-
3-METHOXY-1-METHYL-4-QUINOLONE-ME772488--4.704-
(3-METHOXY-4-PYRROLIDINO-PHENYL)AMINE-ME773688--2.52-
(3-METHOXYPHENYL)-(4-PIPERIDYL)AMINE-ME773565--2.5-
3-METHYL-1-(4-PIPERIDYL)PIPERIDINE-ME773250--3.07-
3-METHYL-1-PHENYL-BUTAN-1-ONE-ME773242--11.566-
3-METHYL-3-OXIDANYL-5-OXIDANYLIDENE-5-[[(2R,3S,4S,...-ME772930--1.501-
3-METHYL-4-PHENYLBUTAN-2-ONE-ME773669--2.416-
3-METHYL-5-PHENYL-PENTAN-1-OL-ME773444--3.758-
3-METHYL-7-PROPYL-XANTHINE-ME773372--0.73-
3-METHYLADENINE3-MethyladenineME771886--1.169-
3-METHYLCYCLOPENTADECAN-1-ONE-ME772006--10.041-
3-METHYLDIOXYINDOLE3-MethyldioxyindoleME772975--1.802-
3-METHYL-HEXANEDIOIC ACID-ME771954--0.533-
3-[N-(2-HYDROXYETHYL)ANILINO]PROPIONITRILE-ME772969--3.864-
3-(OCTADECYLOXY)PROPANE-1,2-DIOL-ME772631--12.913-
3-OXIDANYL-N-[(3S)-2-OXIDANYLIDENEOXOLAN-3-YL]OCTA...-ME772976--3.591-
3-OXOANDROST-4-EN-17ALPHA-YL BETA-D-GLUCOPYRANOSID...-ME772588--5.389-
3-OXO-N-[(3S)-2-OXOTETRAHYDROFURAN-3-YL]TETRADECAN...-ME773040--8.028-
3-OXOOCTADECANOIC ACID-ME773041--10.951-
3-PHENYL-3-[(2-PHENYLACETYL)AMINO]PROPIONIC ACID-ME772878--4.909-
3-PHENYL-3-(2-PYRIDYL)PROPIONALDEHYDE-ME772589--5.374-
3-(PYRROLIDIN-2-YL)PYRIDINE-ME772572--3.66-
(3R)-3-[(2-METHYLBUTANOYL)OXY]-4-(TRIMETHYLAZANIUM...-ME773277--2.504-
(3R)-3-[(2-METHYLPROPANOYL)OXY]-4-(TRIMETHYLAZANIU...-ME773364--1.777-
(3R)-3-(3-HYDROXY-3-METHYL-BUTANOYL)OXY-4-(TRIMETH...-ME773276--1.357-
(3R)-3-[(3-HYDROXYBUTANOYL)OXY]-4-(TRIMETHYLAZANIU...-ME773579--0.918-
(3R)-3-[(5Z,8Z,11Z,14Z)-EICOSA-5,8,11,14-TETRAENOY...-ME772760--10.96-
(3R)-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-4-(TRIM...-ME772538--10.938-
(3R,3AR)-3-(3-FURYL)-3A,7-DIMETHYL-3,4,5,6-TETRAHY...-ME773661--2.432-
(3R)-4-HYDROXY-2-(7-HYDROXYHEPTYL)-3-[(E)-3-HYDROX...-ME772115--7.324-
(3R,4R,5S,6R)-3-AMINO-6-(HYDROXYMETHYL)OXANE-2,4,5...-ME772559--0.703-
(3R,4S,5R)-3,4-DIHYDROXY-5-[(1S,2R,3R)-1,2,3,4-TET...-ME772611--1.554-
(3R,4S,5S,6R)-5-METHOXY-4-[(2R,3R)-2-METHYL-3-(3-M...-ME773158--2.518-
(3R,4S,5S,6S)-6-CARBOXY-N-[2-(DIPHENYLMETHOXY)ETHY...-ME772620--5.059-
(3R,5R,8R,9S,10S,13R,14S,17R)-17-(1,5-DIMETHYLHEXY...-ME772755--10.964-
(3R,5R,8R,9S,10S,13S,14S,17S)-10,13,17-TRIMETHYL-1...-ME773484--9.816-
(3R,5R,8S,9S,10S,13S,14S,17R)-17-[(1R)-1,2-DIHYDRO...-ME772425--5.425-
(3R,5S,6E)-7-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL)QUIN...-ME772903--6.382-
(3R,5S,8R,9R,10S,13S,14S,17S)-17-ETHYL-13-METHYL-2...-ME772262--8.25-
(3R,5S,8S,9S,10S,13S,14S,17S)-3-HYDROXY-17-(2-HYDR...-ME773015--5.406-
(3R,7S,8R,9S,10S,13S,14S,17S)-7,10,13,17-TETRAMETH...-ME773086--9.362-
(3S,10S,13R,14R,17R)-17-[(1R)-1,5-DIMETHYLHEX-4-EN...-ME772100--11.088-
(3S)-3-[(1S,4R)-4-METHYL-1-(2-METHYLPROPANOYL)-3-O...-ME773068--5.865-
(3S)-3,7-DIAMINOHEPTANOIC ACID-ME772684--1.129-
(3S)-3-METHYL-OXACYCLOTETRADECAN-2-ONE-ME772971--8.74-
(3S)-4-AMMONIO-3-HYDROXY-BUTYRATE-ME771979--0.497-
(3S,4AR,6AR,6BS,8AS,11R,12S,12AS,14AR,14BR)-8A-(HY...-ME773004--11.425-
(3S,4AR,6AR,6BS,8AS,12AS,14AR,14BR)-8A-(HYDROXYMET...-ME772699--11.451-
(3S,4R)-3-(CARBOXYMETHYL)-4-(PROP-1-EN-2-YL)-L-PRO...-ME772908--2.24-
(3S,4R,5R)-1,3,4,5-TETRAHYDROXY-6-[(2S,3R,4S,5S,6R...-ME772776--1.054-
(3S,4R,5R)-1,3,5,6-TETRAHYDROXY-4-[(2S,3R,4S,5R,6R...-ME772675--0.615-
(3S,4R,5R)-1,4,5,6-TETRAHYDROXY-3-{[(2R,3R,4S,5S,6...TuranoseME771949--0.747-
(3S,4S,6AR,6BS,8R,8AR,12AS,14BR)-8-HYDROXY-4,6A,6B...-ME772097--6.093-
(3S,4S,9BR)-4-HYDROXY-3,6,9-TRIMETHYL-3,3A,4,5,9A,...-ME773035--6.001-
(3S)-5-[(1R,2R,8AS)-2-HYDROXY-2,5,5,8A-TETRAMETHYL...-ME772452--9.484-
(3S)-5-[(1S,8AR)-4-KETO-2,5,5,8A-TETRAMETHYL-4A,6,...-ME772399--8.553-
(3S,5R,8S)-2-(BENZOYLOXYMETHYL)-8-METHYL-3-[(2S,3R...-ME772355--4.349-
(3S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-DIMETHY...-ME772817--9.931-
(3S,5R,8S,9S,10S,13S,14S,17R)-17-GLYCOLOYL-3,17-DI...-ME772838--5.086-
(3S,5S,7R,9S,10R,13R,14S,16S,19S,27S)-19-HYDROXY-5...-ME773423--7.121-
(3S,5S,8R,9R,10S,13S,14S)-3-HYDROXY-13-METHYL-2,3,...-ME772872--7.337-
(3S,5S,8R,9S,10S,13S,14S)-3-HYDROXY-10,13-DIMETHYL...-ME773043--8.229-
(3S,5Z)-5-[(2Z)-2-[(7AR)-7A-METHYL-1-(6-METHYL-6-O...-ME772249--10.023-
(3S,8R,9S,10R,13S,14S)-3-HYDROXY-10,13-DIMETHYL-1,...-ME773645--5.595-
(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,5S)-6-HYDROXY-1...-ME772228--11.29-
(3Z)-3-BUTYLIDENE-6,7-DIHYDROXY-4,5,6,7-TETRAHYDRO...-ME773190--1.346-
(3Z)-HEX-3-EN-1-YL (2E)-2-METHYLBUT-2-ENOATE-ME772412--6.148-
4-(1,5-DIHYDROXY-1,5-DIMETHYL-HEXYL)-3-HYDROXY-BEN...-ME773667--1.074-
4-[(1E,3E)-HEPTA-1,3-DIENYL]-3-METHYLOL-CYCLOHEXAN...-ME773588--11.143-
4-[(1E)-3-HYDROXYPROP-1-EN-1-YL]BENZENE-1,2-DIOL-ME773701--4.814-
4-[1-HYDROXY-2-(METHYLAMINO)ETHYL]-2-METHOXYPHENOL-ME773316--1.675-
4-[2-[[(1R,2S)-2-HYDROXY-2-(4-HYDROXYPHENYL)-1-MET...-ME772348--4.999-
4-[2-[(1R,4AS,5R,6R,8AS)-6-HYDROXY-5,8A-DIMETHYL-2...-ME772453--5.552-
4-[2-[(1R,5R,8AS)-5,8A-DIMETHYL-2-METHYLENE-5-[[(2...-ME773028--6.781-
4-(2,5-DIMETHYLPHENYL)-4-KETO-BUTYRIC ACID-ME773014--4.89-
4-(2-AMINO-1-HYDROXYETHYL)PHENOLOctopamineME771941--0.924-
4-[2-AZANYL-1-(1-OXIDANYLCYCLOHEXYL)ETHYL]PHENOL-ME772054--5.314-
4-[2-HYDROXY-2,6,6-TRIMETHYL-4-[(2R,3R,4S,5S,6R)-3...-ME772651--4.817-
{4-[2-HYDROXY-3-(PROPAN-2-YLAMINO)PROPOXY]PHENYL}A...-ME773469--2.74-
4-(2-HYDROXYPROPAN-2-YL)-1-METHYLCYCLOHEXAN-1-OL-ME773504--11.22-
4-(2-KETO-2-PHENYL-ACETYL)BENZOIC ACID-ME773390--8.708-
4-(2-KETOOXAZOLIDIN-3-YL)BENZAMIDE-ME772386--3.534-
4-(2-METHYL-1H-IMIDAZOL-1-YL)-2,2-DIPHENYLBUTANAMI...-ME772827--7.385-
4-[(2R,3R)-3-METHYL-5-[(E)-PROP-1-ENYL]COUMARAN-2-...-ME773237--5.103-
4-[(2S,3R,4R,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TE...-ME773428--0.916-
4-[2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL]-2-(HYDROXYM...AlbuterolME771926--3.441-
4-(3,12,14-TRIHYDROXY-10,13-DIMETHYL-HEXADECAHYDRO...-ME772816--5.565-
4-[3-[2-(DIMETHYLAMINO)-2-OXO-ETHYL]-6-METHYL-IMID...-ME773201--3.722-
4-(3-CHLORO-4-FLUORO-ANILINO)-6-(3-MORPHOLINOPROPO...-ME773273--2.347-
4-(3-ETHOXY-3-KETO-PROPANOYL)PIPERIDINE-1-CARBOXYL...-ME773260--1.487-
4-(3-HYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,14,15,...-ME772193--7.767-
4,4,7A-TRIMETHYL-3A,5,6,7-TETRAHYDRO-3H-INDENE-1-C...-ME773092--7.666-
4-{[4-(ACETYLOXY)PHENYL](PYRIDIN-2-YL)METHYL}PHENY...-ME773330--6.521-
4-(4-AMINOPHENYL)MORPHOLIN-3-ONE-ME772534--3.236-
4-(4-METHYLPIPERAZINO)BENZALDEHYDE-ME772676--4.591-
4,5,6-TRIMETHYL-2-SULFANYL-PYRIDINE-3-CARBONITRILE-ME772687--4.194-
4,6-CHOLESTADIENONE4,6-CholestadienoneME772990--10.12-
4,6-DIHYDROXY-15-[5-(1-HYDROXY-1-METHYL-ETHYL)-2-M...-ME773663--5.827-
4,8-DIHYDROXY-6-METHOXY-3-METHYL-ISOCHROMAN-1-ONE-ME773373--1.33-
4-ACETAMIDO-5-[2-(4-HYDROXYPHENYL)ETHYLAMINO]-5-KE...-ME772732--2.36-
4-ACETAMIDOBENZOIC ACID4-Acetamidobenzoic acidME773480--0.926-
4-ACETOXY-8-[3-KETO-2-[(E)-PENT-2-ENYL]CYCLOPENTEN...-ME773497--3.906-
4-(ACETYLOXY)-3,5-DIMETHOXYBENZOIC ACID-ME773598--0.872-
4-AMINO-1-[(2S,4S,5R)-4-HYDROXY-5-METHYLOL-TETRAHY...-ME772112--1.189-
4-AMINO-2,3,6-TRIMETHYL-PHENOL-ME772665--4.354-
4-AMINO-2-ISOPROPYL-5-METHYL-PHENOL-ME773513--3.368-
4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE4-Amino-5-hydroxymethyl-2-methylpyrimidineME772921--1.69-
4-AMINOBUTYRIC ACID ETHYL ESTER-ME773368--3.462-
4-AMINOHEXANOIC ACID-ME773522--4.042-
4-(AMINOMETHYL)BENZOIC ACID ETHYL ESTER-ME772932--3.391-
[4-(AMINOMETHYL)PHENYL]METHANOLMethanolME772947--2.925-
4-AMINO-N-METHYL-N-PHENYL-BENZENESULFONAMIDE-ME772098--3.992-
(4AR)-5,6-DIHYDROXY-7-ISOPROPYL-1,1-DIMETHYL-2,3,4...-ME772335--8.811-
(4AR,5R,6AR,6AS,6BR,8AR,9R,10S,12AR,14BS)-5,10-DIH...-ME772187--9.242-
(4AR,5R,6AS,6BR,8AR,10S,12AR,14BS)-10-[(2R,3R,4R,5...-ME773717--5.593-
(4AR,5R,6R)-6-HYDROXY-3-ISOPROPENYL-4A,5-DIMETHYL-...-ME773378--3.182-
(4AR,5S)-9-HYDROXY-3,4A,5-TRIMETHYL-4,5,6,7,8,8A,9...-ME773210--1.991-
(4AR,6S,7R,8R,8AS)-6-METHOXY-2-PHENYL-4,4A,6,7,8,8...-ME773615--1.349-
(4AS,6AS,6BR,10S,12AR,14BS)-10-[(2S,3R,4S,5R,6R)-3...-ME772533--6.905-
(4AS,6AS,6BR,8R,10S,12AR)-8,10-DIHYDROXY-2,2,6A,6B...-ME773337--7.105-
(4AS,6AS,6BR,8R,9R,10R,11R,12AR,14BS)-8,10,11-TRIH...-ME772324--8.148-
(4AS,6AS,6BR,9R,10S,12AR,14BS)-10-HYDROXY-12-KETO-...-ME773152--11.931-
(4AS,7AS)-6-METHYL-1,2,3,4,4A,5,7,7A-OCTAHYDROPYRR...-ME771992--3.551-
4-AZANIUMYL-4-METHYL-PENTANOATE-ME772229--0.775-
(4-BENZOXY-5-BROMO-PYRIMIDIN-2-YL)-DIMETHYL-AMINE-ME772731--5.911-
4-BUTOXYCARBONYLBENZOIC ACID-ME773489--8.827-
(4-CHLORO-5,6-DIMETHYL-PYRIMIDIN-2-YL)AMINE-ME772787--2.044-
4-[(CYCLOHEXYLCARBAMOYL)AMINO]BUTANOIC ACID-ME773635--1.406-
4-DECYLPYRIDINE-ME773031--9.587-
(4E)-11,11-DIMETHYL-8-METHYLENE-BICYCLO[7.2.0]UNDE...-ME773413--7.652-
(4E)-1,7-BIS(4-HYDROXYPHENYL)HEPT-4-EN-3-ONE-ME773225--3.87-
4-[(E)-3-[4,5-DIHYDROXY-6-METHYLOL-3-(3,4,5-TRIHYD...-ME772365--3.759-
4-[(E)-5-HYDROXY-3-METHYLPENT-3-ENYL]-3,5,5-TRIMET...-ME772121--7.585-
(4E,6E)-3-(3-KETO-3-METHOXY-PROPYL)-2-METHYLOL-DEC...-ME773471--2.353-
(4E,6Z,8R,10Z)-8-HYDROXYHEXADECA-4,6,10-TRIENOIC A...-ME772439--7.014-
(4-ETHYLBENZYL)-METHYL-AMINE-ME773298--2.403-
(4-FLUOROTETRAHYDROPYRAN-4-YL)METHYLAMINE-ME772623--2.68-
4-HYDROXY-2-METHOXY-6-METHYL-BENZOIC ACID [6-HYDRO...-ME773325--3.513-
4-HYDROXY-3-[2-(1H-IMIDAZOL-5-YL)ETHYL]-4,5,5-TRIM...-ME772116--3.174-
4-HYDROXY-4-METHYLTETRAHYDRO-2H-PYRAN-2-ONEMevalolactoneME772430--1.558-
4-HYDROXY-5-[2-[(E)-3-HYDROXYPROP-1-ENYL]-4-METHYL...-ME772216--6.739-
4-HYDROXY-6-[2-(2-METHYL-1,2,4A,5,6,7,8,8A-OCTAHYD...-ME773000--8.685-
4-HYDROXYBENZOIC ACID 2-MORPHOLINOETHYL ESTER-ME773103--1.449-
4-HYDROXY CAPRIC ACID4-Hydroxycapric acidME773493--8.757-
4-HYDROXY LAURIC ACID4-Hydroxylauric acidME773595--8.732-
4-HYDROXYQUINOLIN-2(1H)-ONE-ME772278--1.384-
4-(IMIDAZOL-1-YLMETHYL)BENZOIC ACID-ME772668--2.608-
4-KETO-1H-PYRIDINE-3-CARBOXYLIC ACID-ME772102--0.771-
4-KETO-1H-QUINOLINE-2-CARBOXYLIC ACID ETHYL ESTER-ME773571--2-
4-KETO-4-[(3-KETO-1,5-DIMETHYL-2-PHENYL-3-PYRAZOLI...-ME772832--3.578-
4-KETO-4-[3-METHYL-5-(5,6,7-TRIHYDROXY-1,2,4A,5-TE...-ME772167--5.815-
4-KETOPIMELIC ACID-ME772850--1.586-
4-METHOXY-1H-INDOLE-3-CARBALDEHYDE-ME772240--4.777-
4-METHOXY-3,5-DIMETHYL-BENZOIC ACID-ME772965--3.755-
4-METHOXY-9,10-DIHYDROPHENANTHRENE-2,7-DIOL-ME772644--4.205-
4-METHYL-1H-BENZIMIDAZOLE-ME772715--4.242-
4-METHYL-1-PHENYL-PENTAN-3-ONE-ME773479--11.492-
4-METHYL-2-MORPHOLINO-PYRIMIDINE-5-CARBOXYLIC ACID-ME772678--2.264-
4-METHYL-2-PYRIDIN-4-YL-5-THIAZOLECARBOXYLIC ACID-ME772928--3.32-
4-(METHYLAMINO)-1-(3-PYRIDYL)BUTAN-1-OL-ME773243--4.793-
4-METHYLBENZAMIDE-ME772854--3.073-
4-METHYLPIPERIDINE-2,6-QUINONE-ME773438--8.341-
4-OXODECANEDIOIC ACID-ME773655--0.521-
4-OXO-HEXANOIC ACID-ME772113--1.494-
4-PHENOXYBUTYLAMINE-ME773008--4.876-
4-PHENYLBUTAN-1-AMINE-ME773101--1.37-
4-(PROP-1-EN-2-YL)CYCLOHEX-1-ENE-1-CARBALDEHYDE-ME773531--2.377-
4-PYRIDOXIC ACID4-Pyridoxic acidME772307--1.9-
(4R)-2-OXO-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID-ME772064--0.534-
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-DIA...-ME772150--11.145-
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-DIH...-ME773065--10.671-
(4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3-HYDROXY-6,...-ME773209--4.954-
(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-DIHYD...-ME772259--8.647-
(4R)-4-[(3R,5S,9S,10S,12S,13R,14S,17R)-3,12-DIHYDR...-ME772769--5.813-
(4R,4AS,7AR,12BS)-3-METHYL-1,2,4,5,6,7,7A,13-OCTAH...-ME771986--4.521-
(4R)-4-[(E)-4-(5-KETO-4-METHYL-TETRAHYDROFURAN-2-Y...-ME773326--1.788-
(4R,6S)-4,6-DIHYDROXY-3-[(E)-3-HYDROXY-3-METHYL-BU...-ME773384--2.109-
(4R,7S,7AR,12BS)-3-METHYL-2,4,4A,7,7A,13-HEXAHYDRO...-ME772073--4.472-
(4S)-2BETA,3BETA-DIHYDROXYOLEAN-12-ENE-23,28-DIOIC...-ME773272--10.361-
(4S)-3-[(5S)-5-(4-FLUOROPHENYL)-5-HYDROXY-PENTANOY...-ME773119--3.783-
(4S)-4-AMINO-4-{[(1S)-1-CARBOXYETHYL]CARBAMOYL}BUT...-ME772433--0.503-
(4S)-4-AMINO-5-HYDROXY-VALERIC ACID-ME772414--0.564-
(4S,4AR,7AS,9AR)-4,6,6-TRIMETHYL-3-OXO-1,3,4,5,6,7...-ME772555--4.982-
(4S)-4-HYDROXY-3,5,5-TRIMETHYL-4-[(E)-3-[(2R,3R,4S...-ME772837--3.985-
(4S,5R,6R,7S,8R)-4,6,7,8,9-PENTAHYDROXY-5-[(1-HYDR...-ME772436--1.204-
(4Z)-2-METHYL-4-[(E)-2,4,8,10-TETRAMETHYL-6-METHYL...-ME773407--11.207-
(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16,19-HEX...-ME772302--11.488-
(4Z,7Z,10Z,13Z,16Z)-N-(2-HYDROXYETHYL)DOCOSA-4,7,1...-ME773295--5.058-
5-[[1-(2-AMINOCARBONYLPYRROLIDIN-1-YL)-3-(1H-IMIDA...-ME772095--1.118-
5-(1,2-DIMETHYL-4A,5-DIMETHYLOL-2,3,4,7,8,8A-HEXAH...-ME772782--6.753-
5-(1-ADAMANTYLMETHYLAMINO)PENTYL-TRIMETHYL-AMMONIU...-ME773291--1.804-
5-[(1S,2R,4AR)-1,2,4A-TRIMETHYL-5-METHYLOL-2,3,4,7...-ME772220--7.649-
5-[2-(3-FURYL)ETHYL]-5,6-DIMETHYL-8A-METHYLOL-3,4,...-ME773458--5.402-
5-(2,5-DIHYDROXYHEXYL)TETRAHYDROFURAN-2-ONE-ME772834--1.949-
5-(2-AMINOETHYL)BENZENE-1,2,3-TRIOL-ME772479--0.933-
5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLE5-(2-Hydroxyethyl)-4-methylthiazoleME772059--1.9-
5-(2-METHYLPROPYL)-5-(PROP-2-EN-1-YL)-1,3-DIAZINAN...ButalbitalME772890--3.934-
5-[(3S,5R,10S,13R,14S,17R)-3,14-DIHYDROXY-10,13-DI...-ME773481--4.966-
5-(4-{2-[5-(1-HYDROXYETHYL)PYRIDIN-2-YL]ETHOXY}BEN...-ME772661--3.759-
5-(4-ACETOXY-3-HYDROXY-2,5,5,8A-TETRAMETHYL-3,4,4A...-ME773643--5.247-
5-(4-FLUOROPHENYL)-1-[2-[(2R,4R)-4-HYDROXY-6-OXOOX...-ME772543--7.29-
5-(4-FLUOROPHENYL)-N-(4-HYDROXYPHENYL)-1-[2-[(2R,4...-ME772445--7.285-
5-(4-HYDROXYPENTYL)RESORCINOL-ME772683--4.173-
[5-(4-METHYLPIPERAZINO)-2-NITRO-PHENYL]AMINE-ME772568--3.479-
5-(5-CARBOMETHOXY-5,8A-DIMETHYL-2-METHYLENE-DECALI...-ME773637--6.693-
5-(5-HYDROXY-3-METHYLOL-PENTYL)-5,6-DIMETHYL-8A-ME...-ME772912--6.733-
5,6,7,8-TETRAHYDROISOQUINOLINE-ME772301--4.197-
5-(6-HYDROXY-2,5,7,8-TETRAMETHYL-CHROMAN-2-YL)-2-M...-ME773499--3.036-
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-8-[(2S,3R,4R,5S,...-ME773441--2.286-
(5,7-DIMETHYL-4H-IMIDAZO[4,5-B]PYRIDIN-2-YL)AMINE-ME772023--1.925-
5,8,14-TRIAZATETRACYCLO[10.3.1.02,11.04,9]HEXADECA...-ME772415--4.494-
5,9-DIMETHYL-14-METHYLOL-TETRACYCLO[11.2.1.01,10.0...-ME772517--7.412-
5A-ANDROSTAN-3B-OL-ME772155--9.274-
5-ACETAMIDO-4-KETO-HEXANOIC ACID-ME772746--0.555-
5-ACETYL-2,6-DIMETHYL-2,3-DIHYDRO-1H-PYRIDIN-4-ONE-ME773715--1.344-
5-ACETYLAMINO-6-AMINO-3-METHYLURACIL5-Acetylamino-6-amino-3-methyluracilME772693--0.634-
5-ACETYLAMINO-6-FORMYLAMINO-3-METHYLURACIL5-Acetylamino-6-formylamino-3-methyluracilME773509--0.624-
5ALPHA-ANDROSTANE-3BETA,6ALPHA,17BETA-TRIOL-ME772624--6.26-
5ALPHA-DIHYDROTESOSTERONE5alpha-DihydrotesosteroneME772612--7.629-
5ALPHA-PREGN-2-EN-20-ONE-ME772673--9.365-
5.ALPHA.-PREGNAN-3.ALPHA.,17-DIOL-20-ONE 3-SULFATE-ME773385--7.548-
5ALPHA-PREGNANE-3,20-DIONE5alpha-Pregnane-3,20-dioneME772996--7.341-
5ALPHA-TETRAHYDROCORTICOSTERONE5alpha-TetrahydrocorticosteroneME773516--11.845-
5-AMINO-3,4-DIHYDROISOCARBOSTYRIL-ME772789--3.347-
5-AMINOPENTANAMIDE5-AminopentanamideME772654--1.292-
5-AMINOPENTANOIC ACID5-Aminopentanoic acidME771902--0.581-
5-ANDROSTENETRIOL-ME772263--6.722-
5-B-CHOLESTANE-3A ,7A ,12A-TRIOL-ME772774--10.531-
5-(BENZYLAMINO)-3H-1,3,4-THIADIAZOLE-2-THIONE-ME772751--3.061-
5.BETA.-ANDROST-1-EN-17.BETA.-OL-3-ONE GLUCURONIDE-ME772271--4.507-
5BETA-ANDROSTANE-3BETA,17BETA-DIOL-ME772089--8.479-
5-CHLORO-N-{[(5S)-2-OXO-3-[4-(3-OXOMORPHOLIN-4-YL)...RivaroxabanME772450--5.271-
5-DODECENOIC ACID5-Dodecenoic acidME773281--8.303-
(5E)-4,7,8-TRIHYDROXY-2-(2-HYDROXYPENTYL)-9,9-DIME...-ME772814--5.547-
(5E)-5-(3-HYDROXYBENZYLIDENE)-2-THIOXO-THIAZOLIDIN...-ME773702--1.18-
5-[(E)-5-HYDROXY-3-METHYLOL-PENT-3-ENYL]-1,4A-DIME...-ME772883--6.442-
(5E,9E)-6,10,14-TRIMETHYLPENTADECA-5,9,13-TRIEN-2-...-ME772506--11.107-
(5E)-HEPTADECA-5,16-DIENE-1,2,4-TRIOL-ME772393--9.239-
5-HEXYLOXOLAN-2-ONE-ME773274--7.575-
5-HYDROXY-10,10-DIMETHYL-6-METHYLIDENEBICYCLO[7.2....-ME772078--6.13-
5-HYDROXY-2,3,3A,4,5,7A-HEXAHYDRO-1H-ISOINDOLE-1,3...-ME772252--0.654-
5-HYDROXY-2-(3-HYDROXY-4-METHOXY-PHENYL)-7-[(2S,3R...-ME772748--4.512-
5-HYDROXY-7-(4-HYDROXY-3-METHOXY-PHENYL)-1-(4-HYDR...-ME772927--5.207-
5-HYDROXYADAMANTAN-2-ONE-ME773569--2.121-
5-HYDROXYINDOLEACETIC ACID5-Hydroxyindoleacetic acidME771879--1.095-
5-HYDROXYLYSINE5-HydroxylysineME773045--0.716-
5-(HYDROXYMETHYL)-4-(METHOXYMETHYL)-2-METHYLPYRIDI...GinkgotoxinME772836--2.278-
5-(HYDROXYMETHYL)FURAN-2-CARBALDEHYDE5-Hydroxymethyl-2-furancarboxaldehydeME772593--1.898-
5-ISOCHROMAN-1-YL-3H-1,3,4-OXADIAZOLE-2-THIONE-ME772017--4.332-
5-METHOXY-2-METHYLOL-PYRAN-4-ONE-ME773520--0.526-
5-METHYL-4-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-...-ME772423--10.952-
5-(METHYLAMINO)-1-(3-PYRIDYL)PENTAN-1-ONE-ME773153--2.272-
5-METHYLPYRAZINIC ACID METHYL ESTER-ME772123--2.775-
5-OCTYLOXOLAN-2-ONE-ME773626--8.314-
5-OXIDANYL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE-ME772884--1.557-
5-OXO-D-PROLINE5-Oxo-D-prolineME771929--0.475-
5-OXO-ETE5-Oxo-ETEME773370--11.554-
5-PHENYL-1,2-OXAZOL-3-OL-ME773098--0.594-
5-PHENYLOXAZOLIDIN-2-ONE-ME772020--3.246-
(5R)-5-(4-METHOXY-3-PROPOXYPHENYL)-5-METHYL-1,3-OX...-ME773450--1.745-
(5R)-5-HYDROXY-4-{(2R,6R)-6-HYDROXY-5-[(3E)-4-METH...-ME772196--9.327-
(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-DIHYDROXY-1...-ME772943--7.781-
(5S,8R,9S,10S,13S,14S)-10,13-DIMETHYL-1,4,5,6,7,8,...-ME772359--8.871-
(5S,9R)-5,9-DIMETHYL-14-METHYLOL-TETRACYCLO[11.2.1...-ME772980--6.713-
5-TETRADECYNOIC ACID-ME772770--8.247-
5-(TRIMETHYLAMMONIO)VALERATE-ME773155--0.937-
5-UREIDOVALERIC ACID-ME772400--0.762-
(5Z)-4-[(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLOYL...-ME772174--4.58-
(5Z)-5-HEX-2-YNYLIDENEFURAN-2-ONE-ME773459--0.732-
5-[(Z)-5-HYDROXY-3-METHYL-PENT-3-ENYL]-1,4A-DIMETH...-ME772165--7.584-
(5Z)-7-[(1R,2R,3R,5S)-3,5-DIHYDROXY-2-(3-OXODECYL)...-ME772840--7.142-
(5Z,8Z,11Z)-13-(3-AMYLOXIRAN-2-YL)TRIDECA-5,8,11-T...-ME773383--6.661-
(5Z,8Z,11Z,14Z)-EICOSA-5,8,11,14-TETRAENOIC ACID M...-ME772626--11.19-
(5Z,8Z,11Z)-EICOSA-5,8,11-TRIENOIC ACID METHYL EST...-ME771996--11.143-
6-(1,2-DIHYDROXY-2-METHYL-PROPYL)-9,10-DIHYDROXY-1...-ME773609--5.803-
6-(2,3-DIHYDROXY-3-METHYL-BUTOXY)-4-METHOXY-5-METH...-ME773639--1.982-
6-[2-(3-HYDROXY-2,2,5A-TRIMETHYL-7-METHYLENE-4,5,6...-ME772280--9.494-
6-(2-HYDROXY-1-METHYL-PROPYL)-4-METHOXY-5-METHYLOL...-ME773148--4.227-
6-(2-HYDROXY-4-METHYLPHENYL)-2-METHYLHEPT-2-EN-4-O...-ME772967--7.254-
6-[[(2R,3R,6AR,6BS,8AS,12AS,14BR)-2-HYDROXY-4,4,6A...-ME772272--6.062-
6-[4-[2-(2-HYDROXYETHOXY)ETHYL]PIPERAZINO]BENZO[B]...-ME772896--5.868-
6-(6-AMINOHEXANAMIDO)HEXANOIC ACID-ME772367--3.673-
6,7,8,3',4'-PENTAMETHOXYISOFLAVANQUINONE-ME773570--3.658-
6,7-DIHYDRO-5H-ISOQUINOLIN-8-ONE-ME773625--6.246-
6,7-DIHYDROXY-3-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE-ME772238--4.975-
6,8-DIHYDROXY-8A-METHYL-3,5-DIMETHYLENE-3A,4,4A,6,...-ME773061--3.983-
6-AMINO-1-BENZYL-PYRIMIDINE-2,4-QUINONE-ME772735--3.82-
6-AMYL-4-HYDROXY-TETRAHYDROPYRAN-2-ONE-ME773632--8.012-
6-AMYL-4-KETO-2-METHYL-CYCLOHEX-2-ENE-1-CARBOXYLIC...-ME773709--11.091-
(6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-1-METHOXY-6,6,9-...-ME773557--7.212-
(6AR,9R)-N,7-DIMETHYL-N-PROPYL-6,6A,8,9-TETRAHYDRO...-ME772143--6.411-
(6AS)-1,2,11-TRIMETHOXY-6-METHYL-5,6,6A,7-TETRAHYD...-ME773332--3.778-
(6BR,10R,12AR,14BS)-2,2,6A,6B,9,9,12A-HEPTAMETHYL-...-ME772528--9.622-
6-BUTYLOXAN-2-ONE-ME773473--1.179-
(6E,10E)-3,7,11,15-TETRAMETHYLHEXADECA-1,6,10,14-T...-ME772352--9.661-
(6E,10E)-3,7,11,15-TETRAMETHYLHEXADECA-1,6,10,14-T...-ME772647--7.665-
[(6E,10Z)-10-(ACETYLOXYMETHYL)-6-FORMYL-3-METHYLID...-ME772007--6.655-
(6E,10Z,14E)-2-KETO-6,14-DIMETHYL-3-METHYLENE-3A,4...-ME773548--3.618-
6-[(E)-2,8-DIHYDROXY-5,7-DIMETHYL-NON-5-ENYL]-4-HY...-ME772773--6.03-
(6E)-7-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL...-ME772537--8.366-
(6E,8E)-3-HYDROXY-10-KETO-4,9-DIMETHYL-10-[(2S,3R,...-ME773315--1.219-
(6E)-HEPTADECA-6,16-DIENE-1,2,4-TRIOL-ME773647--10.268-
6-HEPTYLOXAN-2-ONE-ME772743--6.161-
6-HYDROXY-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(...-ME771922--12.419-
6-HYDROXY-3-ISOPROPENYL-5-METHYL-4A-METHYLOL-3,4,5...-ME773617--2.59-
6-HYDROXY-4,4,7A-TRIMETHYL-6,7-DIHYDRO-5H-BENZOFUR...-ME772981--4.144-
6-HYDROXY-6-(3-HYDROXY-2,3-DIMETHYL-CYCLOPENTYL)-2...-ME773521--3.588-
6-HYDROXYLUTEOLIN 5,6,7,4'-TETRAMETHYL ETHER-ME772515--5.827-
6-HYDROXYMELATONIN6-HydroxymelatoninME772641--2.98-
6-HYDROXYNICOTINIC ACID6-Hydroxynicotinic acidME771868--0.564-
6-HYDROXYTETRALIN-1-ONE-ME773205--2.073-
6-KETOESTRIOL-ME773474--4.374-
6-MALEIMIDOHEXANOIC ACID-ME772948--1.538-
6-METHOXY-2-[(4-METHOXY-3,5-DIMETHYL-1-OXIDOPYRIDI...-ME773502--2.59-
6-METHOXY-2-[(4-METHOXY-3,5-DIMETHYL-1-OXIDO-PYRID...-ME773699--1.379-
6-METHOXY-2-[(4-METHOXY-3,5-DIMETHYL-2-PYRIDYL)MET...-ME773009--6.389-
6-METHOXY-2-METHYL-3,4-DIHYDRO-1H-ISOQUINOLIN-7-OL-ME772195--4.368-
6-METHYLOLPYRIDIN-3-OL-ME772584--1.14-
6-METHYLPYRIDIN-3-OL-ME772152--0.85-
6-METHYLSULFINYLHEXANENITRILE-ME772015--2.685-
6-OCTYLTETRAHYDROPYRAN-2-ONE-ME772803--8.729-
6-OXO-OCTADECANOIC ACID-ME772756--11.019-
6-PHENYLTHIOMORPHOLIN-3-ONE-ME773530--1.806-
6-PIPERAZINOBENZO[B][1,4]BENZOTHIAZEPINE-ME772407--6.897-
6-PROPYLOXAN-2-ONE-ME773217--0.769-
(6S)-2-METHYL-6-(4-METHYLPHENYL)HEPT-2-EN-4-ONE-ME772576--7.267-
6Z,9Z,12Z,15Z,18Z-HENEICOSAPENTAENOIC ACID6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acidME773433--9.447-
(6Z,9Z,12Z,15Z)-OCTADECA-6,9,12,15-TETRAENOIC ACID...-ME773137--9.116-
(6Z,9Z,12Z)-OCTADECA-6,9,12-TRIENOIC ACID METHYL E...-ME772392--11.514-
7,18-DIHYDROXYKAURENOLIDE-ME773508--3.518-
7-(1-HYDROXY-1-METHYL-ETHYL)-1,4A-DIMETHYL-DECALIN...-ME772491--7.362-
7-[(1R,2R,3R)-3-HYDROXY-2-[(E,3S)-3-HYDROXYOCT-1-E...-ME772507--8.457-
7-[(1R,2R,3R)-3-HYDROXY-2-[(E,4S)-4-HYDROXY-4-(1-P...-ME772667--7.834-
7-[(1S,2S)-2-[(1E,3S)-3-HYDROXYOCT-1-EN-1-YL]-5-OX...-ME772052--6.847-
7-[2,6-DIMETHYL-8-(2-METHYL-1-OXOBUTOXY)-1,2,6,7,8...-ME772733--6.711-
7-[(2E,5E)-7-HYDROXY-3,7-DIMETHYL-OCTA-2,5-DIENOXY...-ME773707--0.719-
7-[(2R)-5-OXIDANYL-3-OXIDANYLIDENE-2-(3-OXIDANYLID...-ME773636--4.386-
7-[3,5-DIHYDROXY-2-[(E)-3-HYDROXYOCT-1-ENYL]CYCLOP...-ME772846--6.553-
[7,7,12,16-TETRAMETHYL-15-(6-METHYLHEPT-5-EN-2-YL)...-ME773466--16.426-
7,8-DIAMINONONANOIC ACID7,8-Diaminononanoic acidME772442--2.633-
7,8-DIHYDROXY-3,5,7-TRIMETHYL-8,8A-DIHYDRO-1H-ISOC...-ME773159--0.74-
7,8-DIMETHOXY-1,3-DIHYDRO-3-BENZAZEPIN-2-ONE-ME773169--2.02-
7ALPHA,12ALPHA-DIHYDROXYCHOLEST-4-EN-3-ONE-ME773589--12.859-
7ALPHA,24S-DIHYDROXY-4-CHOLESTEN-3-ONE-ME773354--9.077-
7ALPHA,24S-DIHYDROXYCHOLESTEROL7alpha,24S-DihydroxycholesterolME773071--10.379-
7ALPHA,25-DIHYDROXYCHOLESTEROL7alpha,25-DihydroxycholesterolME772074--10.216-
7-(DIMETHYLAMINO)-4-METHYL-COUMARIN-ME773239--2.307-
7-HYDROXY-2,2-DIMETHYL-COUMARAN-3-ONE-ME773650--1.334-
7-METHYL-7H-PURIN-6-AMINE7-MethyladenineME772276--2.583-
7-METHYLGUANINE7-MethylguanineME772231--1.449-
7-METHYLINDANE-4-CARBOXYLIC ACID ETHYL ESTER-ME773716--3.114-
7-METHYLURIC ACID7-Methyluric acidME773029--1.206-
7-METHYLXANTHINE7-MethylxanthineME772677--1.122-
7-OXO-CHOLESTEROL7-Oxo-cholesterolME773674--12.724-
(7Z,10Z,13Z,16Z,19Z)-N-(2-HYDROXYETHYL)DOCOSA-7,10...-ME773662--9.963-
8-[(1~{S},5~{R})-4-KETO-5-[(~{Z})-PENT-2-ENYL]CYCL...-ME772690--7.776-
8-[2-[(E)-3-HYDROXYPENT-1-ENYL]-5-KETO-CYCLOPENT-3...-ME772662--5.947-
8-[(2R,3R,4R,5S,6R)-6-(HYDROXYMETHYL)-5-[(2S,3R,4S...-ME773396--2.508-
8-[(2S,3R)-3-[(Z)-OCT-2-ENYL]OXIRAN-2-YL]CAPRYLIC ...-ME773196--8.063-
8-(3-OCTYLOXIRAN-2-YL)OCTANOIC ACID-ME772344--10.828-
8-[4,5-DIHYDROXY-6-METHYLOL-3-(3,4,5-TRIHYDROXY-6-...-ME773550--2.897-
8-ACETAMIDO-7-KETO-2-METHYL-PELARGONIC ACID-ME773572--4.695-
8-ACETYL-6,7-DIMETHOXY-COUMARIN-ME772596--4.648-
8-BROMOCAPRYLIC ACID ETHYL ESTER-ME773574--2.165-
8-HYDROXY-2,10,10-TRIMETHYL-TRICYCLO[6.3.0.01,5]UN...-ME773264--6.738-
8-HYDROXY-5-QUINOLINECARBOXYLIC ACID-ME773304--1.15-
8-HYDROXY-8-(3-OCTYLOXIRAN-2-YL)CAPRYLIC ACID-ME772256--7.699-
8-ISOPROPYL-4,11-DIMETHYL-5,12-DIOXATRICYCLO[9.1.0...-ME773180--4.859-
8-METHYL-8-AZABICYCLO[3.2.1]OCT-2-ENE-2-CARBOXYLIC...-ME773382--1.635-
8-OXO-NONANOIC ACID-ME772459--2.401-
(8S,10R,13R,17R)-17-[(E,1R)-4-ETHYL-1,5-DIMETHYL-H...-ME773375--13.971-
8-TRICYCLO[5.2.1.02,6]DECANYLAMINE-ME772124--6.426-
(8Z,11Z)-13-(3-AMYLOXIRAN-2-YL)TRIDECA-8,11-DIENOI...-ME773087--10.016-
(8Z,11Z,14Z)-EICOSA-8,11,14-TRIENOIC ACID ETHYL ES...-ME772992--11.644-
(8Z,14Z)-EICOSA-8,14-DIENOIC ACID-ME772164--11.827-
9-[2-(ETHOXYCARBONYL)PHENYL]-3,6-BIS(ETHYLAMINO)-2...-ME773147--7.22-
9-[(2R,3R,5S)-3-HYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-...-ME772649--1.388-
9-[(2R,5R)-4-HYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-...-ME772902--1.415-
9-[3,4-DIHYDROXY-5-(METHOXYMETHYL)TETRAHYDROFURAN-...-ME773075--1.322-
(9E,11Z)-8-HYDROXYOCTADECA-9,11-DIENOIC ACID-ME772608--9.263-
9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID ETHYL EST...-ME772462--5.91-
9-HYDROXY-7-(2-HYDROXYPROPAN-2-YL)-1,4A-DIMETHYL-2...-ME773106--4.35-
9-HYDROXYFLUORENE-9-CARBOXYLIC ACID ETHYL ESTER-ME773067--6.436-
9-HYDROXY-NONANOIC ACID-ME773099--8.744-
9-METHOXY-2,2-DIMETHYL-6H-PYRANO[3,2-C]QUINOLIN-5-...-ME773292--1.854-
9-OXO-11S,15S-DIHYDROXY-13E-PROSTAENOIC ACID11-beta-PGE1ME773228--5.312-
9-OXOODE9-OxoODEME773365--6.248-
(9R,10S)-9,10,16-TRIHYDROXYPALMITIC ACID-ME772529--6.002-
(9Z,11E,13E,15Z)-OCTADECA-9,11,13,15-TETRAENOIC AC...-ME772413--9.977-
(9Z,11E,13E)-OCTADECA-9,11,13-TRIENOIC ACID METHYL...-ME772461--10.473-
9Z,11E,13E-OCTADECATRIENOIC ACID-ME772131--9.528-
(9Z,12E)-15,16-DIHYDROXYOCTADECA-9,12-DIENOIC ACID-ME772492--7.056-
9Z,12E-TETRADECADIEN-1-OL-ME772333--8.467-
(9Z,12Z,14E)-16-KETOOCTADECA-9,12,14-TRIENOIC ACID-ME773576--4.519-
(9Z,12Z)-15-HYDROXYOCTADECA-9,12-DIENOIC ACID-ME772575--9.376-
(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOIC ACID [(2R)-...-ME772548--11.083-
(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOIC ACID ETHYL ...-ME772431--12.087-
(9Z,12Z)-16-METHOXY-15-OXIDANYL-OCTADECA-9,12-DIEN...-ME772306--9.405-
(9Z,12Z)-6,8-DIHYDROXYOCTADECA-9,12-DIENOIC ACID-ME773299--8.46-
(9Z,12Z)-8-HYDROXYOCTADECA-9,12-DIENOIC ACID-ME772865--9.771-
(9Z,12Z)-OCTADECA-9,12-DIEN-1-OL-ME772428--11.872-
(9Z,12Z)-OCTADECA-9,12-DIENOIC ACID [2-HYDROXY-3-[...-ME773352--11.056-
(9Z,12Z)-OCTADECA-9,12-DIENOIC ACID [3-HYDROXY-2-[...-ME772549--13.657-
(9Z,12Z)-OCTADECA-9,12-DIENOIC ACID ISOPROPYL ESTE...-ME772979--11.671-
(9Z,14Z)-12,13,16-TRIHYDROXYOCTADECA-9,14-DIENOIC ...-ME773658--6.168-
ABRINE-ME772139--2.394-
ABSCISIC ACIDAbscisic acidME772405--3.384-
ACETIC ACID [(1R,2S,5E,9E,12S)-12-ISOPROPYL-1,5,9-...-ME772304--8.448-
ACETIC ACID [(1R,2S,5S,6R,9S,10S,13S)-2,6-DIHYDROX...-ME772209--7.353-
ACETIC ACID [(1S,3R)-1-[(2R)-3,3-DIMETHYLOXIRAN-2-...-ME773405--6.463-
ACETIC ACID [(1S,5S,8S,9S,10S,13S,14S,17S)-1-HYDRO...-ME773186--11.678-
ACETIC ACID [2-[(3S,5R,8S,9S,10S,11S,13S,14S,17R)-...-ME772723--7.42-
ACETIC ACID [2-[(3S,5R,8S,9S,10S,13S,14S,17R)-3-AC...-ME772708--7.378-
ACETIC ACID (2,4-DIMETHYLCYCLOHEXYL)METHYL ESTER-ME773338--8.009-
ACETIC ACID [(2E,6Z,10Z)-7,11-BIS(ACETOXYMETHYL)-3...-ME773333--5.977-
ACETIC ACID [2-KETO-2-[(3R,5R,8S,9S,10S,11S,13S,14...-ME772637--5.319-
ACETIC ACID [(2R)-2,5,7,8-TETRAMETHYL-2-(4,8,12-TR...-ME771980--14.348-
ACETIC ACID [(2R,3R,4R,5S,6S)-3,4,6-TRIACETYLOXY-5...-ME772815--1.895-
ACETIC ACID [(2S,3S)-4-KETO-2-(4-METHOXYPHENYL)-5-...-ME773036--6.667-
ACETIC ACID [(2S,4S)-2,4-DIHYDROXYHEPTADEC-16-ENYL...-ME772591--10.382-
ACETIC ACID [(3S,4AR,6AR,6BS,8AR,12AR,14AR,14BR)-4...-ME773586--14.066-
ACETIC ACID [(3S,8S,9R,10R,14R)-9,10,19-TRIHYDROXY...-ME772984--4.981-
ACETIC ACID [(4S,5S,5AS,9AS)-4-HYDROXY-1-KETO-6,6,...-ME773414--2.784-
ACETIC ACID (5',7,9,13-TETRAMETHYLSPIRO[5-OXAPENTA...-ME772509--10.154-
ACETIC ACID [5-(7-KETO-5,5,8A-TRIMETHYL-2-METHYLEN...-ME772519--9.808-
ACETOPHENONEAcetophenoneME773346--6.078-
ACETYL-N-FORMYL-5-METHOXYKYNURENAMINEAcetyl-N-formyl-5-methoxykynurenamineME773317--1.66-
ACEXAMIC ACID-ME772933--2.789-
ADAMANTAN-2-ONE-ME773293--11.178-
ADENINEAdenineME771888--1.506-
ADENOSINEAdenosineME771931--2.058-
ADRENOSTERONEAdrenosteroneME772802--5.706-
ALA PROAla-ProME772951--0.631-
ALA-VALAla-ValME772487--0.669-
ALFAXALONE-ME772173--7.258-
ALLOXYDIM-ME773386--2.587-
ALPHA-D-MANNOPYRANOSYL-(1->2)-D-MANNOPYRANOSE-ME772289--0.643-
ALPHA-HYDROXYMETOPROLOLalpha-HydroxymetoprololME772629--4.393-
ALPHA-LINOLENOYL-EAalpha-Linolenoyl-EAME772275--10.278-
ALPHA-N-PHENYLACETYLGLUTAMINEalpha-N-PhenylacetylglutamineME771901--2.186-
ALPHA-PINENE-OXIDE-ME772601--5.07-
ALPHA-TOCOPHEROLalpha-TocopherolME773234--10.941-
AMINOCAPROIC ACIDAminocaproic acidME771951--1.018-
AMINOMETHYLBENZOIC ACID-ME772714--0.748-
ANDROSTENEDIOLAndrostenediolME773478--11.541-
ANDROSTERONEAndrosteroneME772724--8.053-
ANSERINEAnserineME771925--0.689-
APHIDICOLINAphidicolinME772594--7.414-
APIGENINApigeninME771911--4.395-
APIINApiinME772605--4.407-
ARABITOLArabitolME771895--0.64-
ARACHIDONOYL-EAArachidonoyl-EAME772484--10.914-
ARGININEArginineME771930--0.637-
ATORVASTATINAtorvastatinME773006--6.637-
AZELAIC ACIDAzelaic acidME771863--0.763-
BEHENOYL-EABehenoyl-EAME772985--13.281-
BENZAMIDEBenzamideME771909--3.179-
BENZOIC ACID [2-OXO-2-(2,4,6-TRIHYDROXYPHENYL)ETHY...-ME773517--0.542-
BENZOIC ACID [(3R,4R)-4-HYDROXY-8-KETO-6-METHYL-1-...-ME773494--1.387-
BENZOIC ACID (5-BENZOYLOXY-4,6-DIHYDROXY-3-METHOXY...-ME772287--5.891-
BENZOIC ACID (9B-HYDROXY-3-KETO-6,9A-DIMETHYL-6-ME...-ME772055--6.265-
BENZYL BUTYL PHTHALATEBenzyl butyl phthalateME772357--8.698-
BENZYL-DIMETHYL-MYRISTYL-AMMONIUM-ME773630--10.406-
BENZYL-METHYL-(4-PIPERIDYL)AMINE-ME772416--5.49-
BENZYL(PHENYL)AMINE-ME772261--7.566-
(BETA,6ALPHA,12BETA)-3,6,12-TRIHYDROXYDAMMAR-24-EN...-ME773652--10.19-
BETA,BETA-DIMETHYL ACRYLIC ACIDbeta,beta-Dimethyl acrylic acidME773694--4.35-
BETA-MURICHOLIC ACIDbeta-Muricholic acidME772157--6.424-
BILIRUBINBilirubinME771869--5.995-
BILIVERDINBiliverdinME772711--6.126-
BIOPTERINBiopterinME772485--0.813-
BIOTINBiotinME771978--1.701-
BIS(3-AMINOPROPYL)AMINENorspermidineME772652--1.572-
BISABOLOL OXIDE A-ME772941--7.337-
BOC-HIS-OH-ME772033--1.156-
BUCHARAINE-ME773449--1.398-
BUFOTENINBufoteninME773612--3.419-
BUTYRIC ACID (1-METHYLINDOL-3-YL) ESTER-ME773314--2.108-
C17 SPHINGANINEC17 SphinganineME773327--10.81-
CADAVERINECadaverineME772905--1.215-
CAFFEINECaffeineME772797--3.137-
CAR(10:0)CAR 10:0ME772521--6.603-
CAR 10:2CAR 10:2ME772765--5.386-
CAR(6:0)CAR 6:0ME773614--3.205-
CAR(7:0)CAR 7:0ME772895--4.269-
CAR(8:0)CAR 8:0ME772135--4.87-
CAR 8:1CAR 8:1ME773020--4.503-
CAR(DC5:0(3ME))CAR DC5:0;3MeME772282--3.037-
CARNITINECarnitineME771936--0.571-
CARNOSINECarnosineME771873--0.639-
CARYOPHYLLENE OXIDECaryophyllene alpha-oxideME773411--5.137-
CATECHIN 7-O-APIOFURANOSIDE-ME772664--2.796-
CER 17:1;2O/16:0Cer 17:1;O2/16:0ME773348--13.863-
CER 18:1;2O/18:2Cer 18:1;O2/18:2ME772041--13.077-
CER 18:1;2O/20:3Cer 18:1;O2/20:3ME773154--14.034-
CER 18:1;2O/24:1Cer 18:1;O2/24:1ME773268--15.481-
CER 18:1;3O/16:0;(2OH)-ME773351--13.53-
CER 18:1;3O/24:0;(2OH)-ME773138--15.057-
CER 18:2;2O/18:2Cer 18:2;O2/18:2ME773505--13.671-
CER(D18:0/14:0)Cer 18:0;O2/14:0ME773577--13.858-
CER(D18:0/16:0)Cer 18:0;O2/16:0ME773219--14.184-
CER(D18:0/18:1)Cer 18:0;O2/18:1ME773374--14.261-
CER(D18:0/24:1)Cer 18:0;O2/24:1ME773687--15.711-
CER(D18:1/16:0)Cer 18:1;O2/16:0ME773026--11.905-
CER(D18:1/18:0)Cer 18:1;O2/18:0ME773607--14.437-
CER(D18:1/18:1)Cer 18:1;O2/18:1ME772621--13.274-
CER(D18:1/20:0)Cer 18:1;O2/20:0ME773011--13.245-
CHALEPENSINChalepensinME772227--6.785-
CHAPSCHAPSME772867--7.073-
CHENODEOXYCHOLIC ACIDChenodeoxycholic acidME771948--7.471-
CHOLESTENONECholestenoneME773416--14.106-
CHOLESTEROLCholesterolME773265--12.264-
CHOLIC ACIDCholic acidME771864--6.773-
CHROMAN-4-ONE-ME773387--1.819-
CICLOPIROXCiclopiroxME772807--4.458-
CINNAMALDEHYDECinnamaldehydeME773334--2.659-
CIS-GONDOIC ACIDcis-Gondoic acidME772056--12.492-
CIS-JASMONEcis-JasmoneME773651--2.204-
CIS-VACCENIC ACIDcis-Vaccenic acidME772887--11.634-
CITRULLINECitrullineME771946--0.549-
CLOMIPRAMINE N-OXIDE-ME773115--16.357-
CLOXIQUINE-ME773175--3.005-
CONESSINEConessineME772254--8.726-
COPROCHOLIC ACIDCoprocholic acidME772120--8.322-
COROSOLIC ACIDCorosolic acidME772283--9.582-
COTININECotinineME771961--2.966-
COUMAFURYL-ME773301--1.423-
CREATININECreatinineME771876--0.739-
CROTONIC ACIDCrotonic acidME772481--0.686-
CURAN-ME773341--2.573-
CYCLIC ADP-RIBOSECyclic ADP-riboseME772075--1.23-
CYCLOHEXYL-(2-NITROPHENYL)AMINE-ME773397--0.738-
CYCLOHEXYL(7H-PURIN-6-YL)AMINE-ME773671--1.5-
CYTIDINECytidineME771960--1.187-
CYTISINE-ME772009--3.21-
DAIDZEINDaidzeinME771984--3.829-
DAMPdAMPME771907--0.796-
DEC-9-YN-1-OL-ME772460--6.196-
DECAHYDRO-2-NAPHTHALENECARBOXYLIC ACIDDecahydro-2-naphthalenecarboxylic acidME772573--4.079-
DEMISSIDINEDemissidineME772379--9.383-
DEOXYADENOSINEDeoxyadenosineME771932--2.181-
DEOXYCHOLIC ACIDDeoxycholic acidME771910--7.792-
DETHIOBIOTINDethiobiotinME772028--2.252-
DG 16:0_24:6DG 16:0_24:6ME773631--11.585-
DG 18:0_20:3DG 18:0_20:3ME773249--15.362-
DG 18:0_26:6DG 18:0_26:6ME772786--12.359-
DG 18:1_26:7DG 18:1_26:7ME773206--11.788-
DGDG O-22:6_2:0-ME772145--7.604-
DG O-18:0_18:1DG O-18:0_18:1ME773303--16.351-
DG O-18:1_18:1DG O-18:1_18:1ME773660--15.702-
DHADHAME771921--9.972-
DIALLYLCYANAMIDE-ME773073--2.735-
DIAZEPAMDiazepamME771987--6.77-
DIBENZO[B,D]IODOLIUM-ME772721--7.492-
DIBUTYL PHTHALATEDibutyl phthalateME772163--8.717-
DIDODECYL THIOBISPROPANOATEDidodecyl thiobispropanoateME773224--14.398-
DIHYDROTHYMINEDihydrothymineME772578--0.575-
DIISODECYL PHTHALATEDiisodecyl phthalateME773085--13.351-
DILTIAZEMDiltiazemME771897--7.536-
DIMETHYL[1-(10H-PHENOTHIAZIN-10-YL)PROPAN-2-YL]AMI...-ME771939--8.739-
DIMETHYLARGININEDimethylarginineME773025--1.047-
DIMETHYLBENZIMIDAZOLEDimethylbenzimidazoleME771914--5.015-
DIMETHYL SUBERATE-ME772499--5.154-
DIOCTYL PHTHALATEDioctyl phthalateME772550--12.477-
DIPHENHYDRAMINEDiphenhydramineME771985--7.469-
DIPHENYL(4-PIPERIDINYL)METHANOL-ME773711--5.62-
DL-THREONINEDL-ThreonineME771861--0.516-
DODECANEDIOIC ACIDDodecanedioic acidME771955--2.729-
DOMOIC ACIDDomoic acidME772925--3.744-
(E)-1,7-BIS(3,4-DIHYDROXYPHENYL)HEPT-4-EN-3-ONE-ME772923--4.806-
(E)-2-[2-[(1R,2R,8AR)-1-HYDROXY-2,5,5,8A-TETRAMETH...-ME773406--9.691-
(E)-2-CYANO-3-(3,4-DIHYDROXYPHENYL)ACRYLAMIDE-ME772881--1.146-
(E)-2-DECYLPENT-2-ENEDIOIC ACID-ME773150--2.953-
(E,2S)-2-AMINOHEPTADEC-4-ENE-1,3-DIOL-ME772759--10.081-
(E)-3-(1,3-BENZODIOXOL-5-YL)ACROLEIN-ME773269--0.921-
(E)-3-(1-HYDROXY-4-KETO-6-METHOXY-CYCLOHEX-2-EN-1-...-ME773465--1.484-
(E)-3-[(2R,3S)-7-METHOXY-2-[3-METHOXY-4-[(2S,3R,4S...-ME772742--3.443-
(E)-3-(4-HYDROXY-3,5-DIMETHOXY-PHENYL)ACRYLIC ACID...-ME772955--3.686-
(E)-3-(4-HYDROXY-3,5-DIMETHOXY-PHENYL)ACRYLIC ACID...-ME772159--4.125-
(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID [(2...-ME773074--2.147-
(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID [3,...-ME772524--2.188-
(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID ETH...-ME772025--4.558-
(E)-3-(4-METHOXYPHENYL)-1-PHENYL-PROP-2-EN-1-ONE-ME773005--7.107-
(E)-3-[5-[(E)-4-HYDROXY-3-METHYL-BUT-2-ENYL]-1-MET...-ME773288--2.276-
(E)-3-(5-ISOPROPYL-3-KETO-4,5,6,7-TETRAHYDRO-1H-IS...-ME773050--3.851-
(E)-3-PHENYL-1-PIPERIDINO-PROP-2-EN-1-ONE-ME772458--6.876-
(E)-3-PHENYLACRYLIC ACID (10-HYDROXY-9-ISOPROPYL-1...-ME773483--4.042-
(E)-3-PHENYLACRYLIC ACID [(1R,2R,3S,4R,6E,10S)-2-H...-ME772381--10.92-
(E,3R,5S)-7-[4-(4-FLUOROPHENYL)-6-[(2S)-1-HYDROXYP...-ME772778--5.848-
(E,3S,5R)-7-[4-(4-FLUOROPHENYL)-5-(HYDROXYMETHYL)-...-ME772471--6.746-
(E)-4-(2,4,6-TRIMETHYLCYCLOHEX-3-EN-1-YL)BUT-3-EN-...-ME773202--11.516-
(E)-4-ANILINO-4-KETO-BUT-2-ENOIC ACID-ME772939--2.928-
(E)-4-KETO-4-(N'-NICOTINOYLHYDRAZINO)BUT-2-ENOIC A...-ME772689--0.725-
(E)-5-[(1S,8AS)-5,5,8A-TRIMETHYL-2-METHYLENE-DECAL...-ME773302--10.914-
(E)-5-(2,3-DIMETHYL-3-TRICYCLO[2.2.1.02,6]HEPTANYL...-ME773418--8.649-
(E)-5-(3,3-DIMETHYLNORBORNAN-2-YL)PENT-3-EN-2-ONE-ME772691--8.029-
(E)-6-HYDROXYOCTADEC-4-ENOIC ACID-ME772808--8.637-
(E)-7-[(1R,4S,5S,6R)-6-[(E,3S)-3-HYDROXYOCT-1-ENYL...-ME773363--11.838-
ECDYSONEEcdysoneME772873--6.61-
ECHINOCYSTIC ACID-ME773034--10.809-
ECTOINEEctoineME772952--1.312-
EICOSAPENTENOYL-EAEicosapentenoyl-EAME773440--9.936-
(E)-N-[2-[3-(DIMETHYLAMINO)PROPYLTHIO]PHENYL]-3-PH...-ME773528--1.897-
(E)-N-(4-ACETAMIDOBUTYL)-3-(4-HYDROXY-3-METHOXY-PH...-ME773714--1.935-
(E)-N-HOMOVERATRYL-N-METHYL-3-PHENYL-ACRYLAMIDE-ME773216--1.96-
ENTEROLACTONEEnterolactoneME772305--5.317-
ENT-KAUR-16-EN-19-OIC ACID-ME773400--10.842-
(E)-OCTADEC-11-ENOIC ACID METHYL ESTER-ME772703--12.089-
EPAEPAME773297--6.103-
EPSILON-CAPROLACTAMEpsilon-caprolactamME772383--1.174-
ESCITALOPRAMEscitalopramME771968--6.778-
ETHYL (4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16,...-ME772361--12.683-
ETHYL (9Z,11Z,13E)-OCTADECA-9,11,13-TRIENOATE-ME773689--12.446-
ETHYL (9Z,12Z)-OCTADECA-9,12-DIENOATE-ME772204--11.231-
ETHYL (9Z)-OCTADEC-9-ENOATE-ME772508--11.68-
ETHYL ARGINATEEthyl arginateME772004--1.56-
ETHYL N-ACETYL-L-TYROSINATE-ME773544--0.913-
ETRE(5Z, 8Z, 11Z)ETrE(5Z,8Z,11Z)ME772870--11.621-
(E)-UNDEC-2-ENEDIOIC ACID-ME773468--1.363-
EVODIAMINEEvodiamineME773567--5.723-
FAMOTIDINEFamotidineME771975--2.755-
FASCICULOL C-ME773042--7.303-
FEXOFENADINEFexofenadineME772794--9.035-
FRIEDELINFriedelinME772628--11.65-
FRUCTOSEFructoseME771866--0.622-
GABAPENTINGabapentinME772853--3.205-
GALACTOSAMINEGalactosamineME771887--0.645-
GALACTURONIC ACIDGalacturonic acidME772317--0.467-
GAMMA-AMINOBUTYRIC ACIDgamma-Aminobutyric acidME772080--0.557-
GAMMA-GLUTAMYLGLUTAMIC ACIDgamma-Glutamylglutamic acidME772660--0.456-
GAMMA-TOCOPHEROLgamma-TocopherolME772747--12.216-
GAMMA-UNDECALACTONEgamma-UndecalactoneME773460--9.108-
GENISTEINGenisteinME771958--4.155-
GIBBERELLIN A14-ME772590--4.406-
GLIOTOXINGliotoxinME773204--0.621-
GLN LEUGln-LeuME772022--1.668-
GLUCOSANGlucosanME773566--3.961-
GLYCITEINGlyciteinME773194--3.769-
GLYCOCHOLIC ACIDGlycocholic acidME771945--6.626-
GLYCOURSODEOXYCHOLIC ACIDGlycoursodeoxycholic acidME771889--5.889-
GLYCYLGLYCYL-L-PHENYLALANINEGly-Gly-PheME772434--1.888-
GLYCYL-L-TRYPTOPHANGly-TrpME772002--2.247-
GLYCYRRHETINIC ACIDGlycyrrhetinic acidME773379--8.944-
GLY GLY HISGly-Gly-HisME772670--1.088-
GLY-LEUGly-LeuME771878--1.687-
GLY-TYRGly-TyrME771972--1.125-
GLY-VALGly-ValME771952--1.019-
GUANOSINEGuanosineME771928--1.53-
GUINEENSINE-ME772477--10.74-
HARMANHarmanME772697--6.069-
HELIOTRINEHeliotrineME773361--1.92-
HEPTADEC-16-YNE-1,2,4-TRIOL-ME772633--9.095-
HESPERETINHesperetinME772000--4.532-
HEXADEC-15-YNOIC ACID-ME773470--5.482-
HEXAETHYLENE GLYCOLHexaethylene glycolME772336--4.085-
HEXCER 18:0;3O/16:0;(2OH)-ME773673--12.981-
HISTAMINEHistamineME772609--1.111-
HISTIDINEHistidineME771896--1.034-
HOMOERIODICTYOLHomoeriodictyolME773212--1.492-
HOMOSERINEHomoserineME771962--0.843-
HYPOXANTHINEHypoxanthineME771884--0.786-
ILE PRO ILEIle-Pro-IleME772411--4.332-
INDOLINE-4-CARBOXYLIC ACID METHYL ESTER-ME772013--4.022-
INOSINEInosineME771959--1.249-
ISOHYODEOXYCHOLIC ACIDIsohyodeoxycholic acidME771877--5.955-
ISONICOTINIC ACIDIsonicotinic acidME771956--0.904-
ISONIPECOTAMIDE-ME772166--1.293-
ISOPROPALIN-ME772582--5.356-
ISOQUINOLINE-1,5-DIOLIsoquinoline-1,5-diolME772483--2.007-
JUNIPERIC ACIDJuniperic acidME772852--7.443-
KAWAIN-ME772977--6.15-
KYNURAMINEKynuramineME773488--4.086-
L-ALANYL-L-ISOLEUCINEAla-IleME773080--2.185-
L-ALANYL-L-LYSINEAla-LysME772753--1.559-
L-ALPHA-ASPARTYL-L-ISOLEUCINE-ME772079--0.755-
L-ASPARAGINYL-L-LEUCINEAsn-LeuME772311--1.461-
LATHOSTEROLLathosterolME773296--12.849-
LEUCINELeucineME772781--1.615-
LEUCROSELeucroseME772179--0.732-
LEU-PHELeu-PheME772448--4.533-
LEU VALLeu-ValME773369--3.606-
LEVETIRACETAMLevetiracetamME772297--2.649-
L-HISTIDYL-L-ISOLEUCINEHis-IleME772325--2.982-
L-HISTIDYL-L-LEUCINEHis-LeuME772541--2.135-
L-HISTIDYL-L-PHENYLALANINEHis-PheME772995--2.565-
L-HISTIDYL-L-PROLINEHis-ProME772497--1.186-
LICOARYLCOUMARIN-ME772480--6.143-
LINOLEOYL-EALinoleoyl-EAME772464--10.834-
L-ISOLEUCYL-L-ARGININEIle-ArgME772314--2.37-
L-ISOLEUCYL-L-GLUTAMINEIle-GlnME772118--1.855-
L-ISOLEUCYL-L-ISOLEUCINEIle-IleME772042--4.31-
L-ISOLEUCYL-L-LYSINEIle-LysME772886--2.538-
L-ISOLEUCYL-L-PROLINEIle-ProME772038--2.841-
L-ISOLEUCYL-L-SERINEIle-SerME772842--1.658-
L-ISOLEUCYL-L-THREONINEIle-ThrME772168--2.087-
LITHOCHOLIC ACID GLYCINE CONJUGATEGlycolithocholic acidME773641--6.338-
L-LEUCYL-L-GLUTAMIC ACIDLeu-GluME772586--0.808-
L-LEUCYL-L-HISTIDINELeu-HisME773013--2.063-
L-LEUCYL-L-LYSINELeu-LysME772656--2.119-
L-LEUCYL-L-METHIONINELeu-MetME772606--3.493-
L-LEUCYL-L-PROLINELeu-ProME772919--2.91-
L-LEUCYL-L-THREONINELeu-ThrME772504--2.232-
L-LYSYL-L-ARGININELys-ArgME772598--0.891-
L-LYSYL-L-ISOLEUCINELys-IleME772203--2.036-
L-LYSYL-L-VALINELys-ValME773038--1.376-
L-METHIONYL-L-ISOLEUCINEMet-IleME772632--3.414-
L-METHIONYL-L-PROLINEMet-ProME772186--2.188-
LOPERAMIDELoperamideME773506--8.324-
LOVASTATINLovastatinME773453--5.633-
LPC(14:0)LPC 14:0ME773619--9.783-
LPC(16:0)LPC 16:0ME773116--10.89-
LPC 20:3-SN1LPC 20:3ME773656--10.963-
LPC(O-16:0)LPC O-16:0ME773601--11.392-
LPC(O-18:0)LPC O-18:0ME773649--12.195-
L-PHENYLALANYL-L-ARGININEPhe-ArgME772666--2.826-
L-PHENYLALANYL-L-GLUTAMIC ACIDPhe-GluME772429--1.253-
L-PHENYLALANYL-L-GLUTAMINEPhe-GlnME772456--2.264-
L-PHENYLALANYL-L-HISTIDINEPhe-HisME772634--3.407-
L-PHENYLALANYL-L-ISOLEUCINEPhe-IleME772422--4.64-
L-PHENYLALANYL-L-LEUCINEPhe-LeuME773511--4.709-
L-PHENYLALANYL-L-LYSINEPhe-LysME772188--2.64-
L-PHENYLALANYL-L-METHIONINEPhe-MetME773475--0.822-
L-PHENYLALANYL-L-PHENYLALANINEPhe-PheME772246--4.845-
L-PHENYLALANYL-L-THREONINEPhe-ThrME772617--2.718-
L-PHENYLALANYL-L-TYROSINEPhe-TyrME772214--3.536-
L-PHENYLALANYL-L-VALINEPhe-ValME772327--3.997-
L-PROLYL-L-ASPARTIC ACIDPro-AspME772247--0.932-
L-PROLYL-L-ISOLEUCINEPro-IleME772622--3.395-
L-PROLYL-L-LEUCINEPro-LeuME773069--3.328-
L-PROLYL-L-PROLINEPro-ProME772792--1.527-
L-PROLYL-L-VALINEPro-ValME772030--2.584-
L-SERYL-L-ISOLEUCINESer-IleME772084--1.488-
L-SERYL-L-LEUCINESer-LeuME772585--2.019-
L-SERYL-L-PHENYLALANINESer-PheME772695--1.915-
L-SERYL-L-TRYPTOPHANSer-TrpME772520--2.076-
L-SERYL-L-TYROSINESer-TyrME772526--1.638-
L-SERYL-L-VALINESer-ValME772342--0.879-
L-THREONYL-L-LEUCINEThr-LeuME772071--1.789-
L-THREONYL-L-PROLINEThr-ProME772737--0.864-
L-THREONYL-L-VALINEThr-ValME772109--1.105-
L-TRYPTOPHYL-L-GLUTAMIC ACID-ME772705--1.477-
L-TRYPTOPHYL-L-LEUCINETrp-LeuME772516--4.328-
L-TRYPTOPHYL-L-LYSINE-ME772184--2.648-
L-TRYPTOPHYL-L-PROLINETrp-ProME772183--3.203-
L-TRYPTOPHYL-L-THREONINETrp-ThrME773022--2.668-
L-TRYPTOPHYL-L-TYROSINETrp-TyrME772844--3.401-
L-TRYPTOPHYL-L-VALINE-ME772512--3.769-
L-TYROSYL-L-LEUCINETyr-LeuME772026--3.332-
L-TYROSYL-L-LYSINETyr-LysME772012--2.586-
L-TYROSYL-L-PHENYLALANINETyr-PheME772101--3.6-
L-TYROSYL-L-PROLINETyr-ProME772911--2.003-
L-TYROSYL-L-VALINETyr-ValME772663--2.729-
LUMICHROMELumichromeME771982--4.361-
LUP-20(29)-ENE-3BETA,28-DIOL-ME772219--11.686-
LUPENONE-ME772257--11.679-
LUPEOL ACETATELupeol acetateME773425--13.694-
LUTEINLuteinME772440--13.013-
L-VALYL-L-ARGININEVal-ArgME772319--1.809-
L-VALYL-L-HISTIDINEVal-HisME772068--1.492-
L-VALYL-L-ISOLEUCINEVal-IleME772692--3.57-
L-VALYL-L-LYSINEVal-LysME772401--1.473-
L-VALYL-L-METHIONINEVal-MetME773044--2.761-
L-VALYL-L-PROLINEVal-ProME772243--2.172-
L-VALYL-L-THREONINEVal-ThrME772266--1.469-
L-VALYL-L-VALINEVal-ValME772467--2.817-
LYSINELysineME771906--0.629-
LYS-PROLys-ProME772001--0.984-
MAKISTERONE A-ME772338--7.365-
M-COUMARIC ACIDtrans-m-Coumaric acidME773336--0.891-
MEGESTROLMegestrolME772385--6.652-
MELEZITOSEMelezitoseME772752--0.664-
METHANESULFONIC ACID [(1R,2R)-2-(METHYLSULFONYLOXY...-ME773307--7.206-
METHIONINEMethionineME771885--0.825-
METHYL (2E)-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-EN...-ME772027--4.546-
METHYL (2E)-3-(4-HYDROXYPHENYL)PROP-2-ENOATE-ME773401--0.892-
METHYL (2E)-3-(4-METHOXYPHENYL)PROP-2-ENOATE-ME772898--4.811-
METHYL (2S)-2-(2-CHLOROPHENYL)-2-{4H,5H,6H,7H-THIE...-ME773227--8.532-
METHYL (2S)-2-[[(2S)-2-AZANYL-4-METHYL-PENTANOYL]A...-ME772003--5.952-
METHYL 3-[3-[(2Z,5Z,8Z,11Z,14Z)-HEPTADECA-2,5,8,11...-ME773624--5.896-
METHYL 4BETA-ACETYLOXY-3BETA-HYDROXY-16-METHOXY-1-...-ME772134--7.038-
METHYL (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,...-ME773149--5.953-
METHYL (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R...-ME773187--9.51-
METHYL (4Z,10Z,13Z,16Z)-DOCOSA-4,10,13,16-TETRAENO...-ME772427--11.594-
METHYL 5-AMINO-4-OXOPENTANOATE-ME773048--1.19-
METHYL (5Z,9Z,12Z)-OCTADECA-5,9,12-TRIENOATE-ME772857--10.847-
METHYL 7-[(1R,2R,3R)-3-HYDROXY-2-[(1E)-4-HYDROXY-4...-ME772636--7.696-
METHYL-[(7R,8S)-2-OXA-6-AZATRICYCLO[4.2.1.03,7]NON...-ME773432--1.389-
METHYL (7Z)-HEXADEC-7-ENOATE-ME772223--10.525-
METHYL (8Z,11Z)-13-[(2S,3R)-3-PENTYLOXIRAN-2-YL]TR...-ME772230--11.145-
METHYL (8Z,11Z,14Z)-ICOSA-8,11,14-TRIENOATE-ME772725--11.154-
METHYL (9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOATE-ME772175--10.404-
METHYL (9Z,12Z)-OCTADECA-9,12-DIENOATE-ME771969--12.577-
METHYL 9Z-HEXADECENOATE-ME772373--10.359-
METHYL 9Z-TETRADECENOATE-ME773533--11.362-
METHYL CINNAMATEMethyl cinnamateME772092--4.159-
METHYL-[(E)-1-[2-[[5-(METHYLAMINOMETHYL)-2-FURYL]M...-ME773640--1.24-
METHYLIMIDAZOLEACETIC ACIDMethylimidazoleacetic acidME773063--0.911-
METHYL OLEATEMethyl oleateME772754--11.839-
METHYL (Z)-OCTADEC-12-ENOATE-ME772495--11.325-
MG(18:2)MG 18:2ME772934--11.237-
MG(20:4)MG 20:4ME772762--11.169-
MIGLITOLMiglitolME772318--1.08-
MONOETHYL PHTHALATEMonoethyl phthalateME773691--0.495-
MONOMYRISTINMG 14:0ME773181--10.592-
MORPHOLINEMorpholineME773676--7.515-
MYO-INOSITOLMyo-inositolME771871--0.856-
MYRISTOLEIC ACIDMyristoleic acidME773052--8.736-
MYRISTOYL-EAMyristoyl-EAME772397--10.093-
N-(1,3-DIHYDROXYPROPAN-2-YL)-9S,11R,15S-TRIHYDROXY...-ME773286--7.908-
N-(1,3-DIHYDROXYPROPAN-2-YL)-9S,15S-DIHYDROXY-11-O...-ME773682--7.359-
N-[1-(6-KETO-4-METHOXY-PYRAN-2-YL)-2-METHYL-BUTYL]...-ME773355--1.865-
N1-ACETYLSPERMINEN1-AcetylspermineME772264--3.133-
N-(1-METHYL-2-PHENYL-ETHYL)ACETAMIDE-ME773679--3.76-
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDEN1-Methyl-2-pyridone-5-carboxamideME772408--1.473-
N-[2-(1H-INDOL-3-YL)ETHYL]-4-PHENYL-BENZAMIDE-ME773238--3.633-
N-[2-(1H-INDOL-3-YL)ETHYL]PROPIONAMIDE-ME772398--4.353-
N-(2,4-DIMETHYL-3-NITRO-PHENYL)ACETAMIDE-ME772849--4.146-
N-[2-(4-HYDROXYPHENYL)ETHYL]ACETAMIDE-ME772024--2.1-
N-[2-(5,6-DIMETHYL-1H-BENZIMIDAZOL-2-YL)ETHYL]-4-(...-ME773491--5.795-
N-[2-(5-HYDROXY-1H-INDOL-3-YL)ETHYL]-5Z,8Z,11Z,14Z...-ME773485--2.499-
N-[2-(5-METHOXY-1H-INDOL-3-YL)ETHYL]CYCLOPROPANECA...-ME773259--3.358-
N-(2,6-DIMETHYLPHENYL)METHANESULFONAMIDE-ME772114--3.517-
N-(2-FLUOROPHENYL)-2-PHENOXY-PROPIONAMIDE-ME772207--5.375-
N-(2-FLURO-ETHYL)-2-METHYL-5Z,8Z,11Z,14Z-EICOSATET...-ME772294--11.169-
N-(2-FURFURYL)FORMAMIDE-ME772758--2.369-
N(2)-METHYL-L-LYSINEN(2)-Methyl-lysineME772639--0.838-
N-(2-PHENYLETHYL)ACETAMIDEN-acetylphenylethylamineME772545--3.723-
N-[(2R,3R,4R,5R)-5,6-DIHYDROXY-1-OXO-4-{[(2S,3R,4S...-ME773696--0.644-
N-[(2R,3S,4E)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL]DODEC...-ME772309--13.338-
N-[(2S,3R,4R,5R,6R)-2,4,5-TRIHYDROXY-6-(HYDROXYMET...-ME771935--0.686-
N-(3-ACETYLPHENYL)-4-FLUORO-BENZAMIDE-ME772514--5.714-
N-(3-AMINOPROPYL)ACETAMIDE-ME773672--2.696-
N-[3-(DIMETHYLAMINO)PROPYL]ISONIPECOTAMIDE-ME772372--3.514-
N-(3-ETHOXYPROPYL)-2,4-DIHYDROXY-3,3-DIMETHYL-BUTY...-ME772552--2.415-
N-(3-HYDROXYPHENYL)ACETAMIDE-ME772734--2.44-
N-(3-OXO-HEXANOYL)-HOMOSERINE LACTONEN-(3-Oxo-hexanoyl)-homoserine lactoneME773683--0.855-
N-(3-PIPERIDYL)PROPIONAMIDE-ME773666--1.494-
N-[(3R,4R,5S,6R)-2,5-DIHYDROXY-6-METHYLOL-4-[(2R,3...-ME772295--0.913-
N4-(1-METHYLPIPERIDIN-4-YL)BENZENE-1,4-DIAMINE-ME773037--4.388-
N-{4-[(5-METHYL-1,2-OXAZOL-3-YL)SULFAMOYL]PHENYL}E...-ME772269--2.494-
N-(4-ACETAMIDOPHENYL)-2-ETHOXY-ACETAMIDE-ME772973--3.173-
N-(4-BROMO-3-METHYL-PHENYL)-3-MORPHOLINO-PROPIONAM...-ME772341--5.854-
N-(4-BROMOPHENYL)ISONIPECOTAMIDE-ME773060--4.445-
N-(4-CHLOROPHENYL)PYRROLIDINE-1-CARBOXAMIDE-ME773529--0.893-
~{N}-(4-FORMYLPHENYL)ACETAMIDE-ME772819--3.53-
N-(4-PIPERIDYL)CYCLOPROPANECARBOXAMIDE-ME772616--2.428-
N-[(4Z,8Z)-1,3-DIHYDROXYOCTADECA-4,8-DIEN-2-YL]HEX...-ME773229--13.814-
N-(5-ACETAMIDOPENTYL)ACETAMIDE-ME772210--2.458-
N(5)-ETHYL-L-GLUTAMINEN(5)-Ethyl-glutamineME771875--0.485-
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-IsopentenyladenineME772313--4.461-
N(6)-METHYLLYSINEN(6)-MethyllysineME772696--1.872-
N-6-TRIMETHYLLYSINEN-6-TrimethyllysineME773391--0.618-
N8-ACETYLSPERMIDINEN8-AcetylspermidineME772208--2.686-
N-[(8E)-3,4-DIHYDROXY-1-{[3,4,5-TRIHYDROXY-6-(HYDR...-ME773125--13.375-
N-ACETYLASPARTIC ACIDN-Acetylaspartic acidME771934--0.483-
N-ACETYL-BETA-ALANINEN-Acetyl-beta-alanineME772490--0.668-
N-ACETYLCARNOSINEN-AcetylcarnosineME771867--0.805-
N-ACETYLGLUTAMIC ACIDN-Acetylglutamic acidME772766--0.503-
N-ACETYLHISTAMINEN-AcetylhistamineME772991--1.506-
N-ACETYLHISTIDINEN-AcetylhistidineME772438--0.619-
N-ACETYL-L-ALPHA-ASPARTYL-L-GLUTAMIC ACID-ME772645--0.463-
N-ACETYLMETHIONINEN-AcetylmethionineME771976--1.518-
N-ACETYLORNITHINEN-AcetylornithineME772418--0.85-
N-ACETYLPHENYLALANINEN-AcetylphenylalanineME771870--2.477-
N-ACETYLPUTRESCINEN-AcetylputrescineME772457--1.195-
N-ACETYLSEROTONINN-AcetylserotoninME771923--2.858-
N-ACETYLTHREONINEN-AcetylthreonineME772672--0.655-
N-ACETYLTRYPTOPHANN-Acetyl-tryptophanME771881--2.588-
N-ACETYLVALINEN-AcetylvalineME772334--1.077-
N-AMIDINO-L-GLUTAMATEalpha-Guanidinoglutaric acidME772771--0.494-
NANDROLONENandroloneME772597--7.935-
NAORN 16:0/17:0-ME772293--10.289-
NAPHTHORESORCINOL-ME772999--4.812-
NARIRUTINNarirutinME772310--4.296-
N-BENZYL-1H-INDOLE-2-CARBOXAMIDE-ME773127--4.005-
N'-BENZYLACETAMIDINE-ME772839--3.44-
N-BENZYL-N-METHYL-ACETAMIDE-ME772602--3.823-
N-CARBAMOYLPUTRESCINEN-CarbamoylputrescineME773018--0.8-
N-CYCLOHEXYL-4-PHENYL-BUTYRAMIDE-ME773412--2.004-
N-CYCLOOCTYL-2-PHENOXY-PROPIONAMIDE-ME772274--7.989-
NEOABIETIC ACIDNeoabietic acidME772451--7.991-
NERVONIC ACIDNervonic acidME772268--12.164-
NICOTINIC ACIDNicotinic acidME771938--0.763-
N-METHYL-7H-PURIN-6-AMINE6-MethyladenineME772110--2.887-
N-METHYLHISTIDINEN-MethylhistidineME773178--2.567-
N-METHYL-L-GLUTAMIC ACIDN-Methyl-glutamic acidME772994--0.527-
N-METHYL-L-ISOLEUCINEN-MethylisoleucineME772469--1.014-
N-METHYL-L-PHENYLALANINE-ME772806--2.017-
N-METHYLTYRAMINEN-MethyltyramineME771860--2.474-
N,N'-DIHYDROXYOCTANEDIAMIDE-ME772323--1.508-
N,N-DIISOBUTYLTHIOCARBAMIC ACID S-ETHYL ESTER-ME773141--3.156-
N-OLEOYL GLYCINEN-Oleoyl glycineME772296--9.19-
N-OLEOYL LEUCINEN-Oleoyl leucineME772868--11.181-
N-OLEOYL PHENYLALANINEN-Oleoyl phenylalanineME772888--11.189-
NONADECA-10Z-ENOIC ACIDNonadeca-10Z-enoic acidME772039--10.974-
NORDAZEPAMNordazepamME772005--6.489-
NORFENEFRINE-ME772502--1.163-
NOROXYCODONEOxymorphoneME772772--4.045-
NOROXYMORPHONE-ME773248--2.698-
NOTOGINSENOSIDE R2-ME772206--6.625-
N-PALMITOYL GLYCINEN-Palmitoyl glycineME772473--10.02-
N-PHENYLACETYLPHENYLALANINEN-PhenylacetylphenylalanineME772486--4.777-
N-PHENYLCARBAMIC ACID (4-FORMYLPHENYL) ESTER-ME773145--0.887-
OLEIC ACIDOleic acidME773077--11.251-
OLEOYL-EAOleoyl-EAME772069--11.423-
OLIGOMYCIN BOligomycin BME773492--12.461-
OMEGA-3-ARACHIDONIC ACIDomega-3-Arachidonic acidME773256--7.723-
OMEPRAZOLE SULFONEOmeprazole sulfoneME772369--4.52-
ONDANSETRONOndansetronME773200--5.562-
ORNITHINEOrnithineME771858--0.542-
O-TOLYL(2-THIAZOLIN-2-YL)AMINE-ME772465--5.102-
OXAZEPAMOxazepamME771994--5.996-
OXIRACETAM-ME772332--0.501-
OXYMETAZOLINEOxymetazolineME772968--5.894-
OXYMORPHONEOxymorphoneME772874--4.387-
PALATINOSEPalatinoseME772704--0.838-
PALMITELAIDIC ACIDPalmitelaidic acidME771950--9.655-
PALMITOLEOYL-EAPalmitoleoyl-EAME772937--10.585-
PALMITOYL-EAPalmitoyl-EAME772312--11.172-
PARACETAMOL SULFATEParacetamol sulfateME772330--2.079-
PARAXANTHINEParaxanthineME771943--2.082-
PC 10:0_24:3PC 10:0_24:3ME773585--13.937-
PC 8:0_28:3PC 8:0_28:3ME773324--14.192-
PC O-32:0PC O-32:0ME773121--14.527-
PC O-34:1PC O-34:1ME773442--14.609-
PC O-34:2PC O-34:2ME773621--14.326-
PC O-36:1PC O-36:1ME773279--15.076-
PC O-36:2PC O-36:2ME773371--14.692-
PC O-36:3PC O-36:3ME773220--14.402-
PC O-36:4PC O-36:4ME773109--14.28-
PC O-38:4PC O-38:4ME773320--14.586-
PEIMININEPeiminineME773284--7.114-
PELLITORINE-ME772525--8.261-
PENCICLOVIRPenciclovirME771903--1.232-
PENTADECANOYL-EAPentadecanoyl-EAME772855--10.498-
PENTAETHYLENE GLYCOLPentaethylene glycolME772403--2.698-
PENTALENIC ACID-ME773622--2.477-
PETROMYZONOLPetromyzonolME772065--6.407-
PGD1PGD1ME773165--4.75-
PGF2BETAPGF2betaME772707--6.292-
PHE GLY GLYPhe-Gly-GlyME772577--2.104-
PHENETHYLTHIOUREA-ME772630--3.99-
PHENYLACETALDEHYDEPhenylacetaldehydeME773191--1.811-
PHEOPHORBIDE APheophorbide aME773409--10.719-
PHE VAL LYSPhe-Val-LysME772768--4.065-
PHOSPHORIC ACIDPhosphoric acidME773394--6.709-
PHOSPHORIC ACID TRIS(1-BUTOXYETHYL) ESTER-ME772053--9.259-
PHYTOSPHINGOSINEPhytosphingosineME773096--10.682-
PILOCARPINEPilocarpineME771940--3.979-
PIMELIC ACIDPimelic acidME771967--0.544-
PINOLIDOXINPinolidoxinME773568--1.907-
PIPECOLIC ACIDPipecolic acidME771899--0.725-
PIPENZOLATE-ME773633--1.203-
PIPERIDINE-1-CARBOXYLIC ACID PHENYL ESTER-ME773223--0.544-
PIPERINEPiperineME771924--7.116-
PIPERINIC ACID-ME773515--7.152-
PORPHOBILINOGENPorphobilinogenME772745--1.375-
PRAMOCAINEPramocaineME773189--5.227-
PREGABALINPregabalinME772035--2.311-
PREGNANEDIOLPregnanediolME773692--10.797-
PREGNANETRIOLPregnanetriolME773539--11.178-
PREGNENOLONEPregnenoloneME772648--7.182-
PRISTANIC ACIDPristanic acidME773446--11.539-
PROP-2-YN-1-YL (2E,4E)-3,7,11-TRIMETHYLDODECA-2,4-...-ME773218--12.853-
PROPAN-2-YL (Z)-7-[(1R,2R,3R)-3-OXIDANYL-5-OXIDANY...-ME772595--8.073-
PRO PHEPro-PheME772368--4.155-
(-)-PULEGONEPulegoneME773417--4.422-
PYRIDINE-2,4-DICARBOXYLIC ACID DIETHYL ESTER-ME773389--0.843-
PYRIDINE-2,5-DICARBOXYLIC ACID DIPROPYL ESTER-ME773280--1.753-
PYRIDINE-3,4-DICARBOXYLIC ACID-ME772564--1.293-
PYRIDOXALPyridoxalME771944--1.165-
PYRIDOXAMINEPyridoxamineME771927--1.51-
PYRIDOXINEPyridoxineME771917--1.422-
PYRROLIDIN-1-IUM-2-CARBOXYLATE-ME771933--0.714-
PYRROLIDINE-3-CARBOXYLIC ACID-ME772377--0.87-
QUETIAPINEQuetiapineME772877--7.324-
QUINALDIC ACIDQuinaldic acidME771915--2.538-
QUINIC ACIDQuinic acidME771990--0.495-
QUINOLIN-4-OL-ME771937--2.803-
QUINOLINE-2,8-DIOLQuinoline-2,8-diolME773089--2.926-
RAC-2,3-DIHYDROXYPROPYL (9Z,12Z,15Z)-OCTADECA-9,12...-ME772242--10.707-
RANITIDINERanitidineME771963--4.426-
RIBOFLAVINRiboflavinME771859--3.795-
RIMANTADINERimantadineME773573--8.755-
ROSMARINIC ACIDRosmarinic acidME773188--1.729-
S-ALLYLCYSTEINES-AllylcysteineME771981--1.494-
SARSASAPOGENIN-ME772248--9.966-
SCIADONIC ACIDSciadonic acidME773467--9.107-
SEBACIC ACIDSebacic acidME771874--1.372-
SECOLOGANINSecologaninME773172--1.502-
SENKIRKINESenkirkineME773254--1.781-
SERINESerineME772560--0.546-
SINAPIC ACIDSinapic acidME773452--1.819-
SINAPINESinapineME773263--3.123-
SINAPOYL ALDEHYDESinapoyl aldehydeME772094--4.809-
SITOSTEROLSitosterolME773350--13.506-
SKF 91581-ME772767--2.768-
SKIMMIN-ME772851--2.26-
SL 17:0;O/15:0-ME773583--12.924-
SL 17:0;O/16:0-ME773111--13.162-
SL 17:0;O/16:1;O-ME773231--12.785-
SM 13:0;2O/21:1SM 13:0;O2/21:1ME773133--13.899-
SM 14:1;2O/20:1SM 14:1;O2/20:1ME773143--13.642-
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME771953--0.563-
SOLANIDINESolanidineME772421--10.452-
SOLASODINESolasodineME773347--7.043-
SORBITOLSorbitolME771882--0.722-
SOYACEREBROSIDE I-ME773251--13.55-
SPERMIDINESpermidineME773117--0.599-
SPHINGANINESphinganineME772655--9.683-
SPHINGOSINESphingosineME772963--9.832-
SPIRO[3.3]HEPTANE-2,2-DICARBOXYLIC ACID-ME773436--0.494-
SPIRO[IMIDAZOLIDINE-5,1'-INDANE]-2,4-QUINONE-ME772093--3.717-
SPIRO[INDOLINE-3,3'-PYRROLIDINE]-2-ONE-ME772211--4.907-
STEARIDONIC ACIDStearidonic acidME773308--6.813-
STEAROYL-EAStearoyl-EAME772653--12.042-
SUBERIC ACIDSuberic acidME771957--0.551-
SUBERYLGLYCINESuberylglycineME772308--0.877-
SUCCINIC ACID O1-METHYL ESTER O4-[[(5R,9S,13S)-5,9...-ME773167--14.23-
SUCRALOSESucraloseME771862--3.358-
SULFAMETHOXAZOLESulfamethoxazoleME772406--2.192-
SULFAMIC ACID [(1R,2S,6S,9R,11S)-4,4,11-TRIMETHYL-...-ME772793--3.13-
SULFAMIC ACID [(2S,6S,9R)-4,4,11,11-TETRAMETHYL-3,...-ME772454--4.488-
SULFAMIC ACID [(3AR,6R,7S,7AS)-6,7-DIHYDROXY-2,2-D...-ME772914--2.169-
TANGERETINTangeretinME772866--7.431-
TAURINETaurineME771974--0.54-
TAUROCHOLIC ACIDTaurocholic acidME771965--6.629-
TERT-BUTYL 2-OXOPIPERIDINE-1-CARBOXYLATE-ME773584--1.97-
TERT-BUTYL(M-ANISYL)AMINE-ME772037--4.8-
TETRABUTYLAZANIUM-ME773195--5.511-
TETRADECANEDIOIC ACIDTetradecanedioic acidME772299--5.107-
TETRAHYDROALSTONINE-ME772260--5.754-
TETRAHYDROCORTISOLTetrahydrocortisolME772011--5.478-
TETRAHYDROCURCUMINTetrahydrocurcuminME771913--5.992-
TETRAHYDRODEOXYCORTICOSTERONETetrahydrodeoxycorticosteroneME772138--8.375-
THEOBROMINETheobromineME773019--2.195-
THIAMINEThiamineME773321--1.957-
THIAMINE MONOPHOSPHATEThiamine monophosphateME772316--2.33-
THR GLUThr-GluME772044--0.505-
THR VAL LEUThr-Val-LeuME772061--3.042-
TIMOSAPONIN A-III-ME772542--8.779-
TRANS-3-HYDROXYCOTININEtrans-3-HydroxycotinineME772998--2.355-
TRANS-FERULIC ACIDtrans-Ferulic acidME773344--4.4-
TRANS-ZEATINtrans-ZeatinME772889--1.923-
TRAUMATIC ACIDTraumatic acidME771918--2.197-
TRAZODONETrazodoneME772681--7.223-
TREHALOSETrehaloseME771894--0.612-
TRIACANTHINETriacanthineME772047--3.802-
TRIGONELLINETrigonellineME771970--0.636-
TRIGONEOSIDE XB-ME772953--7.455-
TRIMETHOPRIMTrimethoprimME772326--4.246-
TRIMETHYL(2-{[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIENO...-ME773207--14.418-
TRIMETHYL(2-{[(2R)-3-[(9Z)-OCTADEC-9-ENOYLOXY]-2-[...-ME773611--13.893-
TRIMETHYL(2-{[(2R)-3-[(9Z)-OCTADEC-9-ENOYLOXY]-2-(...-ME773331--14.007-
TRIMETHYL(2-{[(2R)-3-(OCTADECANOYLOXY)-2-(TETRADEC...-ME773393--14.274-
TRIS(2-BUTOXYETHYL) PHOSPHATE-ME772957--9.251-
TRYPTAMINETryptamineME772014--3.64-
TRYPTOPHANOLTryptophanolME771919--4.253-
TUBERONIC ACID GLUCOSIDETuberonic acid glucosideME772390--2.941-
TYRAMINETyramineME771880--2.089-
TYROSINETyrosineME772658--1.445-
UNDECANEDIOIC ACIDUndecanedioic acidME773366--11.542-
UREIDOPROPIONIC ACIDUreidopropionic acidME771904--0.523-
UROCANIC ACIDUrocanic acidME771916--0.694-
VAL PRO LEUVal-Pro-LeuME772587--3.596-
VANYLGLYCOLVanylglycolME773197--0.888-
VITEXINVitexinME772813--2.494-
XANTHINEXanthineME772503--1.03-
XANTHURENIC ACIDXanthurenic acidME771883--0.736-
(~{Z},12~{R})-12-HYDROXYOCTADEC-9-ENOIC ACID METHY...-ME772993--11.958-
(Z,12S,13R)-12,13-DIHYDROXYOCTADEC-9-ENOIC ACID-ME772122--7.709-
(Z,2E,4E)-5-(2H-1,3-BENZODIOXOL-5-YL)-N-(2-METHYLP...-ME772938--6.562-
(Z)-2-HEXYL-3-PHENYL-ACROLEIN-ME773233--2.623-
(Z)-2-METHYLBUT-2-ENOIC ACID [(1AR,2S,2AS,5R,5AS,6...-ME772958--6.437-
(Z)-2-METHYLBUT-2-ENOIC ACID [(3AR,4R,5R,6E,9Z,11A...-ME773136--1.776-
(Z)-2-METHYLBUT-2-ENOIC ACID [(4R,6R)-6-ISOVALERYL...-ME773537--2.481-
(Z)-2-OCT-7-ENYLPENT-2-ENEDIOIC ACID-ME772351--4.025-
(Z)-3-[(1S,2S)-2-PHENYLCYCLOPROPYL]ACRYLIC ACID ET...-ME773454--1.357-
(Z)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID [(2...-ME773708--6.833-
(Z)-3-METHYL-5-(1,2,5,5-TETRAMETHYL-7-OXO-3,4,4A,6...-ME772945--9.61-
(Z)-3-PHENYL-2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-...-ME772329--2.017-
(Z)-5,8,11-TRIHYDROXYOCTADEC-9-ENOIC ACID-ME772202--5.397-
(Z)-6-[(2R,3S)-3-[[(4-CHLORO-2-METHYLPHENYL)SULFON...-ME773613--5.906-
(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3-CYCLOHEXYL-3-HYDR...-ME772669--6.568-
(Z)-7-[(1R,2R,3R,5S)-3,5-DIHYDROXY-2-(3-KETODECYL)...-ME773659--12.274-
(Z)-7-[(1S,2R,3R,4R)-3-[[N'-(PHENYLCARBAMOYL)HYDRA...-ME772775--6.577-
(Z)-7-[(1S,2S,3S,5R)-3-[(4-IODOPHENYL)SULFONYLAMIN...-ME773562--3.911-
(Z)-7-[(2S)-2-[(E)-3-HYDROXY-3-METHYL-OCT-1-ENYL]-...-ME773578--6.35-
(Z)-9,10,11-TRIHYDROXYOCTADEC-12-ENOIC ACID-ME772396--5.946-
(Z)-9,12,13-TRIHYDROXYOCTADEC-15-ENOIC ACID-ME772162--6.288-
(Z,9S,10S)-9,10-DIHYDROXYOCTADEC-12-ENOIC ACID-ME772978--7.702-
(Z)-EICOS-2-ENOIC ACID-ME772201--11.536-
(Z)-LIGUSTILIDE-ME773285--1.616-
(Z)-N-ETHYL-7-[(1R,2R,3S,5S)-3-FLUORO-5-HYDROXY-2-...-ME772891--7.502-
(Z)-N-ETHYLOCTADEC-9-ENAMIDE-ME773319--16.202-
(Z)-OCTADEC-9-ENOIC ACID [(2S)-2-ACETOXY-3-HYDROXY...-ME772706--11.835-
ZOLPIDEMZolpidemME773697--6.116-


Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
(10E,15Z)-9,12,13-TRIHYDROXYOCTADECA-10,15-DIENOIC...-ME774038--4.991-
10-NITROOLEIC ACID10-Nitrooleic acidME774201--8.905-
1,1-DIKETO-1,2-THIAZOLIDINE-3-CARBOXYLIC ACID-ME773870--1.715-
(11E,15Z)-9,10,13-TRIHYDROXYOCTADECA-11,15-DIENOIC...-ME774255--3.748-
12(13)EP-9-KODE9-oxo-12(13)-EpOMEME774339--6.573-
1,2-DIETHYL BENZENE-1,2-DICARBOXYLATE-ME774282--4.202-
1-(2-FURFURYL)-5-KETO-PYRROLIDINE-3-CARBOXYLIC ACI...-ME774053--1.367-
12-HYDROXYJASMONIC ACID12-Hydroxyjasmonic acidME774140--2.161-
1-(2-HYDROXYPHENYL)-3-PHENYLPROPANE-1,3-DIONE-ME774321--17.126-
12-KETODEOXYCHOLIC ACID12-Ketolithocholic acidME773876--7.172-
1-(2-METHOXY-6-OXIDANYL-PHENYL)ETHANONE-ME774355--1.46-
1-(2-METHYL-3-SULFONIO-PROPANOYL)PYRROLIDINE-2-CAR...-ME773740--2.327-
(12Z,15Z)-7,9,10-TRIHYDROXYOCTADECA-12,15-DIENOIC ...-ME773951--6.149-
1,3,4-TRIHYDROXY-5-[(E)-3-[2-(4-HYDROXY-3-METHOXY-...-ME774286--0.509-
1,3,5-TRIHYDROXY-4-[(E)-3-(3-HYDROXY-4-METHOXY-PHE...-ME773936--2.894-
1,3,7-TRIMETHYLURIC ACID1,3,7-Trimethyluric acidME773860--1.777-
1-(4-HYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL)-5-ME...-ME773757--1.888-
15-HETRE15-HETrEME773963--10.299-
1,7-DIMETHYLURIC ACID1,7-Dimethyluric acidME774058--1.217-
1-(9E-HEXADECENOYL)-SN-GLYCERO-3-PHOSPHOCHOLINE-ME774304--10.152-
1-AMINO-9,10-DIKETO-4-[3-(2-SULFOXYETHYLSULFONYL)A...-ME774183--2.799-
1-(CARBOXYMETHYL)CYCLOHEXANECARBOXYLIC ACID-ME774347--0.645-
1-(DIMETHYLCARBAMOYL)NIPECOTIC ACID-ME773847--2.186-
1-[(E)-3-(4-HYDROXYPHENYL)ACRYLOYL]OXYPROPANE-1,2,...-ME774024--0.483-
(1E,6E)-1-(4-HYDROXY-3-METHOXYPHENYL)-7-(4-HYDROXY...-ME773931--6.828-
1-FORMYLPROLINE-ME773885--0.726-
1H-PYRROLE-3,4-DICARBOXYLIC ACID-ME773969--0.886-
(1-HYDROXYCYCLOPENTYL)(PHENYL)ACETIC ACID-ME774308--1.702-
1-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-3-CARB...Tetrahydroharman-3-carboxylic acidME774247--2.814-
1-METHYLADENOSINE1-MethyladenosineME773746--1.813-
1-METHYLGUANINE1-MethylguanineME774125--1.313-
1-METHYLXANTHINE1-MethylxanthineME774044--0.895-
1-OXIDOPYRIDIN-1-IUM-2-CARBOXYLIC ACID-ME773906--0.85-
(1R,2R,3R,4R,5R,6R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL-ME773730--0.654-
(1R,3R,4S,5R)-1,3,4-TRIHYDROXY-5-[(E)-3-(4-HYDROXY...-ME774123--2.424-
(1R,3R,4S,5R)-1,3-BIS({[(2E)-3-(3,4-DIHYDROXYPHENY...-ME774374--1.158-
(1R,3R,4S,5R)-3-[(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLO...-ME774007--3.176-
(1R,9S,10S)-3,4-DIHYDROXY-5-ISOPROPYL-11,11-DIMETH...-ME774354--6.335-
(1S,2R,4S,5S)-6-[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY...-ME774180--0.62-
(1S,3R,4R,5R)-1,3,4-TRIHYDROXY-5-[(2E)-3-(4-HYDROX...-ME773849--2.369-
(1S,3R,4R,5R)-3,4-BIS({[(2E)-3-(3,4-DIHYDROXYPHENY...-ME774163--3.377-
(1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLO...-ME774047--2.027-
(1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLO...-ME774264--2.217-
(1S,3R,4S,5R)-1,3,5-TRIHYDROXY-4-{[(2E)-3-(4-HYDRO...-ME774189--2.528-
(1S,3R,4S,5R)-4-{[(2E)-3-(3,4-DIHYDROXYPHENYL)PROP...-ME774288--0.516-
(1S,4AS,5S,6S,7R,7AS)-5,6,7-TRIHYDROXY-7-METHYL-1-...-ME773929--1.276-
(1S,4R,5R)-3-[(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLOYL]...-ME773877--1.571-
20-HETE20-HETEME774057--9.295-
2-[(10Z)-HEPTADEC-10-EN-1-YL]-6-HYDROXYBENZOIC ACI...-ME774034--11.505-
2-{1-[(1-{3-[(E)-2-(7-CHLOROQUINOLIN-2-YL)ETHENYL]...-ME774102--8.61-
2-(14-METHYLPENTADECANOYLAMINO)-3-PHENYL-PROPIONIC...-ME774196--10.944-
2-[(1-HYDROXYETHYLIDENE)AMINO]OCTANOIC ACID-ME773973--2.874-
2-[(1Z)-5-FLUORO-1-[(4-METHANESULFONYLPHENYL)METHY...-ME774313--2.849-
2-[2-(2-METHOXYETHOXY)ETHOXY]ETHANOIC ACID-ME774228--3.244-
2-(2,5-DIKETOTETRAHYDROFURAN-3-YL)ACETIC ACID-ME774028--0.442-
2-(2-ACETAMIDOPHENOXY)ACETIC ACID-ME773913--2.764-
2-(2-FORMYL-4-METHOXY-PHENOXY)ACETIC ACID-ME773853--2.096-
2-(2-HYDROXY-3H-INDOL-3-YL)ACETIC ACID-ME773958--1.813-
2-(2-NITROPHENOXY)PROPIONIC ACID-ME774032--2.86-
2-(2-PHENYLETHOXY)-6-{[(3,4,5-TRIHYDROXYOXAN-2-YL)...-ME774243--3.73-
(2-{[(2R)-2-HYDROXY-3-[(9Z,12Z)-OCTADECA-9,12-DIEN...-ME774349--10.559-
(2-{[(2R)-3-(HEPTADECANOYLOXY)-2-HYDROXYPROPYL PHO...-ME774351--11.393-
2-(3',3'-DIMETHYL-6-NITRO-SPIRO[CHROMENE-2,2'-INDO...-ME774279--4.131-
2-[3-[3-HYDROXY-4-(4-HYDROXYPHENYL)-2,5-DIMETHOXY-...-ME774272--1.464-
2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-7-METHOXY-4H-CHR...-ME774137--4.527-
2-(3,4-DIHYDROXYPHENYL)ACETAMIDE-ME774087--1.93-
2-[(3-AMMONIO-1-OXOPROPYL)AMINO]-4-METHYLPENTANOAT...-ME774233--2.189-
2,3-DIHYDRO-1,4-BENZODIOXIN-3-CARBOXYLIC ACID-ME773932--1.48-
2,3-DIHYDROXY-2-METHYLBUTANOIC ACID2,3-Dihydroxy-2-methylbutanoic acidME773837--0.568-
2,3-DIHYDROXY-4-METHOXYBENZOIC ACID-ME774226--0.663-
2,3-DIKETOINDOLINE-5-CARBOXYLIC ACID-ME774348--3.145-
2,3-DIKETOINDOLINE-7-CARBOXYLIC ACID-ME774136--0.624-
2,3-DIMETHYLBESYLIC ACID-ME774252--2.853-
2-(3-KETO-4H-1,4-BENZOXAZIN-2-YL)ACETIC ACID-ME773916--1.225-
2-(3-METHYLBENZYL)SUCCINIC ACID-ME774324--4.877-
2-[4-[3-(4-HYDROXY-3-METHOXY-PHENYL)-1,3,3A,4,6,6A...-ME774108--3.806-
2-(4,4-DIFLUOROCYCLOHEXYL)ACETIC ACID-ME774312--1.366-
2-[4,5-DIHYDROXY-6-METHYLOL-2-(4,5,6-TRIHYDROXY-2-...-ME774149--0.729-
2,4,6,4'-TETRAHYDROXY-2-BENZYLCOUMARANONE 4-O-GLUC...-ME773994--2.887-
2,4,6-TRIHYDROXYBENZOIC ACID2,4,6-Trihydroxybenzoic acidME773950--0.944-
2-[(4-AMINO-4-CARBOXY-BUTANOYL)AMINO]-4-METHYL-VAL...-ME774045--1.217-
2,4-DICHLORO-5-(DIMETHYLSULFAMOYL)BENZOIC ACID-ME773857--1.741-
2,4-DIKETO-5-METHYL-1H-PYRIMIDINE-6-CARBOXYLIC ACI...-ME774171--1.356-
2-(4-HEXOXYPHENYL)ACETIC ACID-ME774317--0.809-
2-(4-HYDROXY-3-METHOXYPHENYL)-6-[(E)-2-(4-HYDROXY-...-ME773965--6.851-
2-[(4-METHYLBENZYL)THIO]ACETIC ACID-ME774358--1.58-
2-[5-[3,4-DIHYDROXY-6-METHYL-5-(3,4,5-TRIHYDROXY-6...-ME774091--7.276-
2,6-DIHYDROXY-4-METHYL-BENZOIC ACID-ME774224--1.324-
2-(6-HYDROXYHEXYL)-3-METHYLENE-SUCCINIC ACID-ME774273--0.914-
2-[[(6-METHOXY-1H-BENZIMIDAZOL-2-YL)THIO]METHYL]-3...-ME774305--4.303-
2-ACETAMIDO-2-DEOXY-D-GALACTITOLN-AcetylgalactosaminitolME773897--0.653-
2-ACETAMIDO-4-(METHYLSULFANYL)BUTANOIC ACID-ME773823--1.488-
2-AMINO-3-(3,4-DIHYDROXYPHENYL)PROPANOIC ACID-ME774203--1.158-
2-AMINO-3-[(CARBOXYMETHYL)SULFANYL]PROPANOIC ACID-ME773745--0.705-
2-AMINO-3-METHOXYBENZOIC ACID3-Methoxyanthranilic acidME774153--0.956-
2-AMINO-4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID-ME774227--2.297-
2-AMINO-5-[[2-(CARBOXYMETHYLAMINO)-2-KETO-1-(SULFO...-ME774105--0.482-
2-AMINO-5-CHLORO-4-METHYL-BESYLIC ACID-ME774192--1.76-
2-AMINO-5-HYDROXY-BENZOIC ACID5-Hydroxyanthranilic acidME773947--0.646-
(2-AMINOETHOXY)[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DO...-ME774221--11.253-
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-E...-ME774334--11.032-
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)...-ME774263--11.685-
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(TETRADECANOYLOXY...-ME774343--9.704-
(2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-HYDROXY...-ME774377--10.781-
2-BENZOYLBENZOIC ACID-ME773905--4.726-
2-(BENZYLTHIO)-6-METHYL-1H-BENZIMIDAZOLE-ME774187--5.939-
2-CARBAMOYLNICOTINIC ACID-ME773886--0.826-
2-[CARBOXYMETHYL(2-HYDROXYETHYL)AMINO]ACETIC ACID-ME773983--1.13-
(2-CHLOROPHENYL)(6,7-DIHYDROTHIENO[3,2-C]PYRIDIN-5...-ME773881--5.7-
(2E)-3-(4-HYDROXY-3-METHOXYPHENYL)-N-[2-(4-HYDROXY...-ME774059--4.793-
(2E,4E)-5-(3,8-DIHYDROXY-7-KETO-1,5-DIMETHYL-6-OXA...-ME774301--1.743-
(2E,4E,7R)-11-[(2R,3R)-3-(HYDROXYMETHYL)-4-OXOOXET...-ME774322--4.408-
(2E,5E)-3,5,7-TRIMETHYLOCTA-2,5-DIENEDIOIC ACID-ME774198--2.327-
(2E,6E,10E)-13-[(2R)-6-HYDROXY-2,8-DIMETHYL-CHROMA...-ME774113--11.021-
2-(ETHYLTHIO)-6-METHOXY-1H-BENZIMIDAZOLE-ME773879--4.329-
2-HYDOXYBUTYRIC ACID2-Hydroxybutyric acidME773833--0.569-
2-HYDROXY-1-[(3R,5S,8S,10S,11S,13S,14S,17R)-3,11,1...-ME773836--6.27-
2-HYDROXY-2-METHYLBUTANEDIOIC ACIDCitramalic acidME774210--0.49-
2-HYDROXY-2-METHYL-BUTYRIC ACID2-Hydroxy-2-methyl-butyric acidME774033--0.82-
2-HYDROXY-2-(PHENYLFORMAMIDO)ACETIC ACIDalpha-Hydroxyhippuric acidME773917--0.592-
2-HYDROXY-2-(PROPAN-2-YL)BUTANEDIOIC ACID-ME773845--0.526-
2-[HYDROXY-[(2R)-2-HYDROXY-3-STEAROYLOXY-PROPOXY]P...-ME774293--11.768-
2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACIDIndolelactic acidME774211--2.003-
2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACIDHydroxyphenyllactic acidME773764--0.805-
[2-HYDROXY-3-[(E)-OCTADEC-9-ENOYL]OXY-PROPYL] 2-(T...-ME774373--11.134-
2-HYDROXY-3-METHOXYBENZALDEHYDE-ME773974--1.684-
2-HYDROXY-3-METHYLBUTANOIC ACID2-Hydroxy-3-methylbutyric acidME773786--0.614-
2-HYDROXY-3-PHENYLPROPANOIC ACIDPhenyllactic acidME773812--1.866-
2-HYDROXY-3-(PROPAN-2-YL)BUTANEDIOIC ACID-ME774135--0.518-
2-HYDROXY-4-METHOXY-6-METHYL-BENZOIC ACID (7-HYDRO...-ME774330--2.146-
2-HYDROXY-4-METHOXY-BENZALDEHYDE-ME774207--2.167-
2-HYDROXY-6-[(8Z,11Z)-PENTADECA-8,11,14-TRIENYL]BE...-ME774119--9.721-
2-HYDROXYBENZENE-1,3-DICARBOXYLIC ACID-ME774204--0.508-
2-HYDROXYBUTANEDIOIC ACID-ME773725--0.468-
2-HYDROXYPENTANEDIOIC ACID2-Hydroxyglutaric acidME773942--0.463-
2-(ISOBUTYLAMINO)-2-KETO-ACETIC ACID-ME774001--0.966-
2-KETOGLUTARIC ACID DIETHYL ESTER-ME774316--0.5-
2-METHOXYBENZENE-1,4-DIOL-ME774011--1.428-
2-METHYL-4-NITRO-BENZOIC ACID-ME774220--1.93-
2-METHYLHIPPURIC ACID2-Methylhippuric acidME773825--2.136-
2-METHYLPROPIONIC ACID [(2R,3S,4S,5R,6R)-3,4,5-TRI...-ME773911--0.942-
2-(OCTADECANOYLOXY)PROPANOIC ACID-ME774110--11.5-
2-OXALOBENZOIC ACID-ME774303--2.42-
2-OXO-4-METHYLTHIOBUTANOIC ACID2-Oxo-4-methylthiobutanoic acidME774152--1.187-
2-PROPYLGLUTARIC ACID2-Propylglutaric acidME773955--0.803-
(2R)-2-[[(2S)-2-AMINO-3-METHYL-BUTANOYL]AMINO]OXYS...-ME774006--0.474-
(2R)-2-[(9Z)-OCTADEC-9-ENOYLOXY]-3-(HEXADECANOYLOX...-ME774075--10.695-
(2R)-2-ACETAMIDO-3-[2,3,4-TRIS(OXIDANYL)BUTYLSULFA...-ME774104--0.558-
(2R)-2-ACETAMIDOHEXANOIC ACID-ME773968--1.474-
(2R)-2-AMINO-3-[(5-ACETAMIDO-2-HYDROXYPHENYL)SULFA...-ME774020--1.45-
(2R)-2-AMINOBUTANEDIOIC ACIDD-Aspartic acidME773731--0.506-
(2R)-3-{[(2,3-DIHYDROXYPROPOXY)(HYDROXY)PHOSPHORYL...-ME774268--10.118-
[(2R)-3-HYDROXY-2-[(9Z,12Z,15Z)-OCTADECA-9,12,15-T...-ME774205--9.238-
(2R)-3-HYDROXY-2-(SALICYLOYLAMINO)PROPIONIC ACID-ME774141--1.577-
(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3,4-...-ME774026--3.752-
(2R,3R,3AR,6S,6AR)-2,3,6-TRIHYDROXY-3,3A,6,6A-TETR...-ME774323--5.061-
(2R,3R,4R)-2,3,5-TRIHYDROXY-4-[(2S,3R,4S,5R)-3,4,5...-ME774150--0.553-
(2R,3R,4R,5R)-2,3,5,6-TETRAHYDROXY-4-[(2R,3R,4S,5S...-ME773889--0.64-
(2R,3R,4R,5R)-4-{[(2S,3R,4S,5S,6R)-3,5-DIHYDROXY-6...-ME774010--1.235-
(2R,3R,4S,5R)-2-(HYDROXYMETHYL)-6-[[(2R,3S,4R,5R)-...-ME773923--1.252-
(2R,3R,4S,5S)-2,3,4,5-TETRAHYDROXYHEXANAL-ME774092--0.658-
(2R,3R,4S,5S,6R)-2-[2-(3,4-DIHYDROXYPHENYL)-5,7-DI...-ME774230--2.568-
(2R,3R,4S,5S,6R)-2-[(2E)-6-HYDROXY-2,6-DIMETHYL-OC...-ME774307--0.595-
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,...-ME774027--0.636-
(2R,3S,4R,5S)-HEXANE-1,2,3,4,5-PENTOL-ME774146--0.697-
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-DIHYDROXY-4-ME...-ME773964--2.946-
(2R,3S,4S,5R,6R)-2-METHYLOL-6-[[(2R,3S,4S,5R,6R)-3...-ME774297--0.61-
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-DIHYDROXY-4-MET...-ME774359--4.023-
(2R,3S,4S,5S,6R)-2-[4-[7-HYDROXY-5-(3-HYDROXYPROPY...-ME774089--3.389-
(2R,3S)-7-[(2S,3R,4R,5S)-3,4-DIHYDROXY-5-METHYLOL-...-ME773980--2.9-
(2S)-1-[(2S)-3-[[(2S)-3-[(2S)-2-CARBOXYPYRROLIDINO...-ME774384--2.277-
(2S)-1-[6-AZANYL-2-[[(2S)-1-OXIDANYL-1-OXIDANYLIDE...-ME773800--2.586-
(2S)-1-ACETYLPYRROLIDINE-2-CARBOXYLIC ACID-ME773750--0.859-
(2S)-2-[(1R)-1-CARBOXYUNDECYL]-5-KETO-TETRAHYDROFU...-ME774155--5.192-
(2S)-2-[[(2R,3R)-2-AMINO-3-HYDROXY-BUTANOYL]AMINO]...-ME773962--2.201-
(2S)-2-[[(2R)-5-KETOPROLYL]AMINO]-3-METHYL-BUTYRIC...-ME773893--1.623-
(2S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-4-METHYL...-ME774222--0.802-
(2S)-2-[[(2S)-2-AMINO-4-METHYL-PENTANOYL]AMINO]SUC...-ME773896--1.065-
(2S)-2-[(2S,3R,4R)-3,4-DIHYDROXY-5-OXOOXOLAN-2-YL]...-ME774209--0.521-
(2S)-2-AMINO-2-ETHYL-GLUTARIC ACID-ME774103--0.528-
(2S)-2-AMINO-3-(1-FORMYLINDOL-3-YL)PROPIONIC ACID-ME774302--4.485-
(2S)-2-AMINO-3-(4-HYDROXYPHENYL)PROPIONIC ACID TER...-ME774274--0.87-
(2S)-2-(CARBAMOYLAMINO)-3-PHENYLPROPANOIC ACID-ME773961--2.049-
(2S)-2-FORMAMIDO-4-(METHYLSULFANYL)BUTANOIC ACID-ME773793--1.109-
[(2S)-3-[[(2R)-3-[(Z)-OCTADEC-9-ENOYL]OXY-2-OXIDAN...-ME773920--10.473-
(2S)-3-(4-HYDROXYPHENYL)-2-[[(9Z,12Z,15Z)-OCTADECA...-ME773883--9.546-
(2S)-3-(4-HYDROXYPHENYL)-2-[[(E)-3-(4-HYDROXYPHENY...-ME774013--3.055-
(2S)-3-(ALPHA-D-GALACTOPYRANOSYLOXY)PROPANE-1,2-DI...-ME773884--11.085-
(2S,3R)-3-HYDROXYPYRROLIDINIUM-2-CARBOXYLATE-ME773846--0.646-
(2S,3R)-4-METHYLENE-5-OXO-2-PROPYL-3-OXOLANECARBOX...-ME774350--1.697-
(2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-4,5-DIHYDROXY-6-...-ME773865--3.906-
(2S,3R,4S,5R)-2-ADENIN-9-YL-5-METHYLOL-TETRAHYDROF...-ME773788--2.329-
(2S,3R,4S,5R)-OXANE-2,3,4,5-TETROL-ME773804--0.596-
(2S,3R,4S,5S,6R)-2-[4-[(3R,3AS,6S,6AR)-3A-HYDROXY-...-ME773921--4.796-
(2S,3R,4S,5S,6R)-2-[4-ALLYL-2-[(2S,3R,4S,5S,6R)-3,...-ME774142--2.058-
(2S,3S,4R,5R)-2,3,4,5-TETRAHYDROXY-6-[(2S,3S,4S,5S...-ME773843--0.587-
(2S,3S,4R,5S,6S)-2-{[(2R,3S,4S,5R,6S)-3,5-DIHYDROX...-ME773841--1.418-
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[[(3S,5S,8R,9S...-ME774049--5.267-
(2S,3S,4S,5R,6S)-6-[4-(5,7-DIHYDROXY-3,6-DIMETHOXY...-ME774229--3.273-
(2S)-5-HYDROXY-2-(3-HYDROXY-4-METHOXY-PHENYL)-7-[(...-ME774118--4.519-
(2S)-5-HYDROXY-2-(4-METHOXYPHENYL)-7-[(2S,3R,4S,5S...-ME774134--5.236-
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-6-METHYLOL-...-ME773838--4.506-
(2Z)-3-(2-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(H...-ME773924--1.244-
2-[(Z)-3-(4-HYDROXYPHENYL)ACRYLOYL]OXY-3-METHYL-3-...-ME774306--0.937-
(2Z,4E)-5-(1-HYDROXY-2,6,6-TRIMETHYL-4-OXOCYCLOHEX...-ME773976--3.374-
(2Z,4E)-5-[(1R,3R,5R,8S)-3,8-DIHYDROXY-1,5-DIMETHY...-ME774369--1.777-
3,17-ANDROSTANEDIOL GLUCURONIDE-ME773928--5.414-
3-[(1E,3E)-HEPTA-1,3-DIENYL]GLUTARIC ACID-ME774346--2.07-
3-[(2,4-DIHYDROXY-3,3-DIMETHYL-BUTANOYL)AMINO]PROP...-ME773748--1.026-
3-(2-HYDROXYPHENYL)PROPANOIC ACID3-(2-Hydroxyphenyl)propanoic acidME773868--2.555-
3-[(2S)-6-HYDROXY-2,5,7,8-TETRAMETHYL-CHROMAN-2-YL...-ME773842--5.85-
3-[(2Z,5Z)-2-[[3-(2-CARBOXYETHYL)-5-[(Z)-(5-KETO-4...-ME774124--5.719-
3-(3,4-DIHYDROXYPHENYL)PROPANOIC ACID3,4-Dihydroxyhydrocinnamic acidME773900--0.9-
3-(3-HYDROXY-4-METHOXYPHENYL)PROPANOIC ACIDDihydroisoferulic acidME774248--1.993-
3-(3-HYDROXYPHENYL)PROPANOIC ACID3-(3-Hydroxyphenyl)propanoic acidME773796--1.581-
3-[4-(1-CARBOXYETHYL)PHENYL]-2-METHYLPROPANOIC ACI...CarboxyibuprofenME774275--1.602-
3,4,5-TRIMETHOXYPHENOL-ME774188--2.877-
3,4-BIS[(3-HYDROXYPHENYL)METHYL]OXOLAN-2-ONE-ME773940--5.291-
3,4-DIHYDROXY-5-METHOXYBENZOIC ACID3,4-Dihydroxy-5-methoxybenzoic acidME774003--0.519-
3,4-DIHYDROXYBENZALDEHYDE3,4-DihydroxybenzaldehydeME774292--16.262-
3,4-DIHYDROXYMANDELIC ACID3,4-Dihydroxymandelic acidME774127--0.511-
3,4-DIMETHOXYPHENOL-ME774148--3.299-
3,4-DIMETHYLBENZOIC ACID3,4-Dimethylbenzoic acidME774074--2.76-
3,4-DIMETHYLBESYLIC ACID-ME774206--2.828-
3-(4-FLUOROPHENYL)-3-(VERATROYLAMINO)PROPIONIC ACI...-ME774262--2.544-
3-(4-HYDROXY-3-METHOXYPHENYL)PROPANOIC ACIDDihydroferulic acidME774266--1.694-
3-(4-HYDROXYPHENYL)-3-KETO-PROPIONIC ACID-ME773938--2.361-
3-(4-HYDROXYPHENYL)-7-{[(2S,3R,4S,5S,6R)-3,4,5-TRI...DaidzinME774008--3.838-
3-(4-HYDROXYPHENYL)PROPANOIC ACIDDesaminotyrosineME774056--1.256-
3-[4-METHOXY-2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-...-ME774019--2.668-
3,5,7-TRIHYDROXY-2-(3-HYDROXY-4-{[(2S,3R,4S,5S,6R)...-ME774068--3.152-
3,5-DIHYDROXY-4-METHYL-BENZOIC ACID-ME773996--1.298-
3,5-DIOXO-4-PROPANOYLCYCLOHEXANECARBOXYLIC ACID-ME773854--1.698-
3-(5-FORMYL-2-HYDROXY-PHENOXY)-4-METHOXY-BENZOIC A...-ME774246--4.602-
3-(6-AMINO-9H-PURIN-9-YL)PROPANOIC ACID-ME774120--1.415-
3,6-BIS(4-HYDROXY-3-METHOXYPHENYL)-HEXAHYDROFURO[3...-ME773891--3.281-
3.ALPHA.-GALACTOBIOSE-CH3-ME774078--0.666-
3ALPHA-HYDROXY-5ALPHA-ANDROSTAN-17BETA-YL BETA-D-G...-ME774238--5.379-
3ALPHA-HYDROXY-7-OXO-5BETA-CHOLAN-24-OIC ACID-ME773898--6.6-
3-AMINO-2-HYDROXY-5-SULFO-BENZOIC ACID-ME774239--0.974-
3-BROMO-2-CHLORO-6-FLUORO-BENZOIC ACID-ME773851--5.221-
3-CARBAZOL-9-YLPROPIONIC ACID-ME774235--5.143-
3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPANOIC ACID3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME774199--2.479-
3-(CARBOXYMETHYL)BENZOIC ACID-ME774112--1.237-
3-CHLORO-6-METHYL-BENZOTHIOPHENE-2-CARBOXYLIC ACID-ME774004--2.906-
3-DEHYDROSHIKIMATE3-Dehydroshikimic acidME774147--0.5-
3-[(E)-2-NITROPROP-1-ENYL]-1H-INDOLE-ME773850--4.034-
3-[[(E)-3-(1H-INDOL-3-YL)ACRYLOYL]AMINO]BENZAMIDE-ME773948--5.337-
3-ETHOXY-4-HYDROXYBENZALDEHYDE-ME774269--1.706-
3-FORMYL-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER-ME774165--4.01-
3-HYDROXY-2-METHYL-BENZOIC ACID-ME774130--1.076-
3-HYDROXY-4,5-DIMETHOXY-BENZOIC ACID (3,4,5-TRIHYD...-ME773878--3.096-
3-HYDROXY-5-KETO-3-METHYL-5-[4-[(2S,3R,4S,5S,6R)-3...-ME774254--0.483-
3-HYDROXYBENZOIC ACID METHYL ESTER-ME774375--15.323-
3-HYDROXYDODECANOIC ACID3-Hydroxydodecanoic acidME774043--6.56-
3-HYDROXYMETHYLGLUTARIC ACID3-Hydroxymethylglutaric acidME774060--0.489-
3-HYDROXYPHENYLACETIC ACID3-Hydroxyphenylacetic acidME773912--1.161-
3-INDOLEPROPIONIC ACID3-Indolepropionic acidME773751--2.589-
3-ISOBUTYLGLUTARIC ACID-ME774159--2.967-
3-ISOCHROMANONE3-IsochromanoneME774294--1.892-
3-KETO-4H-QUINOXALINE-2-CARBOXYLIC ACID ETHYL ESTE...-ME774309--1.666-
3-METHOXY-4-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDR...-ME774298--0.651-
3-PHENOXYPROPANOIC ACID-ME773855--2.466-
3-PHENYL-1-[2,4,6-TRIHYDROXY-3,5-BIS[(2S,3R,4R,5S,...-ME774070--3.449-
3-(PHOSPHONOOXY)PROPANE-1,2-DIYL DITETRADECANOATE-ME774081--10.532-
(3R)-3-[(4-CARBOXYBUTANOYL)OXY]-4-(TRIMETHYLAZANIU...-ME774320--0.479-
(3R)-3-[(5-CARBOXYPENTANOYL)OXY]-4-(TRIMETHYLAZANI...-ME774267--0.486-
(3R,4R,5R)-4,5-DIGALLOYLOXY-3-HYDROXY-CYCLOHEXENE-...-ME774356--1.388-
(3R,4S,5R)-3,4,5,6-TETRAKIS(OXIDANYL)-2-OXIDANYLID...-ME774179--0.585-
(3R,4S,5R)-3,4-DIHYDROXY-5-[(1S,2R,3R)-1,2,3,4-TET...-ME774063--0.535-
(3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,...-ME774069--0.814-
(3R,4S,5R)-OXANE-2,3,4,5-TETROLXyloseME774098--0.49-
(3R,5S,6E)-7-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL)QUIN...-ME774184--6.363-
(3S,4R,5R)-1,3,4,5-TETRAHYDROXY-6-[(2S,3R,4S,5S,6R...-ME774131--0.618-
(3S,4R,5R)-1,3,5,6-TETRAHYDROXY-4-[(2S,3R,4S,5R,6R...-ME774086--1.058-
(3S,4R,5R)-1,4,5,6-TETRAHYDROXY-3-{[(2R,3R,4S,5S,6...TuranoseME773802--0.861-
(3S,4R,5R)-5-[(1S)-1,2-DIHYDROXYETHYL]-3,4-DIHYDRO...L-GulonolactoneME774154--0.486-
(3S,6S)-3-(4-HYDROXYBENZYL)-6-METHYLOL-PIPERAZINE-...-ME773867--2.001-
3-SUCCINOYLPYRIDINE3-SuccinoylpyridineME774296--1.018-
3-SULFOBENZOIC ACID-ME774111--0.522-
3-SULFOPROPANOIC ACID-ME774079--0.544-
4-(1-BUTYLHEPTYL)BESYLIC ACID-ME773903--8.37-
4-(1-PROPYLHEPTYL)BESYLIC ACID-ME774048--8.287-
4-[2-[(2-ETHYL-2,3-DIHYDROXY-BUTANOYL)OXYMETHYL]AN...-ME774360--0.608-
{4-[2-HYDROXY-3-(PROPAN-2-YLAMINO)PROPOXY]PHENYL}A...-ME774332--2.743-
4-[2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL]-2-(HYDROXYM...AlbuterolME773785--3.447-
4-(3,4-DIHYDROXYPHENYL)-6,7-DIHYDROXY-2-NAPHTHOIC ...-ME774383--15.603-
4-(3,7,12-TRIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,...-ME773722--6.783-
4-[[4-(4-FLUOROPHENYL)PIPERIDIN-3-YL]METHOXY]-2-ME...-ME774276--0.735-
4,4,4-TRIFLUORO-3-HYDROXY-3-PHENYL-BUTYRIC ACID-ME774378--0.895-
4-[5-(6-HYDROXY-5,5,8A-TRIMETHYL-2-METHYLENE-DECAL...-ME774328--5.517-
4-(5,7-DIHYDROXY-4-OXO-4H-1-BENZOPYRAN-2-YL)-2-HYD...-ME774164--2.984-
4-[(5R,10S,13R,17R)-3-KETO-10,13-DIMETHYL-1,2,4,5,...-ME773992--8.275-
4-(6-KETO-2-METHYL-PYRAN-3-YL)BUTYRIC ACID-ME774335--5.023-
4-ACETAMIDOBENZOIC ACID4-Acetamidobenzoic acidME774099--2.172-
4-ACETAMIDOBUTANOIC ACID4-Acetamidobutanoic acidME773811--0.648-
4-AMINOTETRAHYDROTHIOPYRAN-4-CARBOXYLIC ACID-ME774197--1.411-
(4AR)-5-HYDROXY-7-ISOPROPYL-6-METHOXY-1,1-DIMETHYL...-ME774116--8.79-
(4AS,6AS,6BR,10S,12AR)-10-HYDROXY-2,2,6A,6B,9,9,12...-ME774037--10.385-
4-BENZOYLOXYBENZOIC ACID-ME774326--0.509-
4-(CYCLOPENTOXY)BENZOIC ACID-ME774061--4.622-
4-DODECYLBENZENE-1-SULFONIC ACID-ME774005--9.476-
4-[(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLOYL]OXY-2,3-DIH...-ME774138--1.505-
(4E,6E)-3-(3-KETO-3-METHOXY-PROPYL)-2-METHYLOL-DEC...-ME774095--4.362-
4-ETHYL-5-HYDROXY-3,5-DIMETHYL-FURAN-2-ONE-ME774368--1.262-
4-FORMYL-2-HYDROXYBENZOIC ACID-ME773979--1.384-
4-HYDROXY-2-METHOXY-6-METHYL-BENZOIC ACID [4,5-DIH...-ME774371--1.429-
4-HYDROXY-2-METHOXY-BENZALDEHYDE-ME774366--0.871-
4-HYDROXY-3-(3-METHYLBUT-2-EN-1-YL)BENZOIC ACID-ME774012--3.862-
4-HYDROXY-3,5,5-TRIMETHYL-4-[(1E)-3-[(3,4,5-TRIHYD...-ME774237--3.617-
4-HYDROXY-8-METHOXYQUINOLINE-2-CARBOXYLIC ACID-ME773859--2.79-
4-HYDROXYBENZOIC ACID [7-METHYLOL-1-(3,4,5-TRIHYDR...-ME774299--0.675-
4-HYDROXY-BUTYRIC ACID4-Hydroxybutyric acidME774145--0.569-
4-HYDROXYHIPPURIC ACID4-Hydroxyhippuric acidME774240--1.596-
4-HYDROXY LAURIC ACID4-Hydroxylauric acidME774176--6.124-
4-KETODODECANEDIOIC ACID-ME773930--2.934-
4-KETOPIMELIC ACID-ME774161--0.758-
4-METHOXY-2,4-DIOXOBUTANOIC ACID-ME774031--0.491-
4-METHOXYBENZOIC ACIDp-Anisic acidME774380--1.081-
4-METHYL-1H-BENZIMIDAZOLE-2-THIOL-ME774162--4.262-
4-O-P-COUMAROYLQUINIC ACID-ME774064--2.411-
4-OXODECANEDIOIC ACID-ME774214--2.115-
4-OXO-HEXANOIC ACID-ME773872--1.725-
4-PYRIDOXIC ACID4-Pyridoxic acidME773943--1.87-
(4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-9,16-DIH...-ME774066--6.205-
(4R)-4-[(3R,5S,9S,10S,12S,13R,14S,17R)-3,12-DIHYDR...-ME774128--5.8-
(4S)-4-AMINO-4-{[(1S)-1-CARBOXYETHYL]CARBAMOYL}BUT...-ME773984--0.516-
(4S)-4-AMINO-5-HYDROXY-VALERIC ACID-ME773978--0.591-
(4S,5R,6R,7S,8R)-4,6,7,8,9-PENTAHYDROXY-5-[(1-HYDR...-ME773988--0.55-
5-(2-CARBOXY-3-HYDROXY-5-METHOXY-PHENYL)-6-KETO-4-...-ME773894--3.424-
5-[(2-CHLOROACETYL)AMINO]-2-HYDROXY-BENZOIC ACID-ME774190--1.378-
5-(2-METHYLPROPYL)-5-(PROP-2-EN-1-YL)-1,3-DIAZINAN...ButalbitalME774177--4.185-
5-[(2R,3S,4S)-4,6-DIHYDROXY-2-[(E,3S)-3-HYDROXYOCT...-ME774015--4.622-
5-[[(2R,3S,4S,5R,6R)-6-ETHOXY-3,4,5-TRIS(OXIDANYL)...-ME774216--1.575-
5-[(2S,4R)-4-HYDROXY-5-KETO-1-METHYL-PYRROLIDIN-2-...-ME774257--1.115-
5-[4-[(E)-3-CARBOXY-3-HYDROXYPROP-1-ENYL]-4-HYDROX...-ME774367--1.688-
5-(4-FLUOROPHENYL)-1-[2-[(2R,4R)-4-HYDROXY-6-OXOOX...-ME774040--7.281-
5-(4-FLUOROPHENYL)-N-(4-HYDROXYPHENYL)-1-[2-[(2R,4...-ME774300--6.416-
5-(4-HYDROXYPENTYL)RESORCINOL-ME774090--4.014-
5,7-DIHYDROXY-2-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-4H...-ME773937--4.619-
5,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-3,4-DI...-ME773910--4.062-
5,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-3,6-DI...-ME774217--4.669-
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6-[3,4,5-TRIHYDR...-ME774046--2.483-
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6,8-BIS[3,4,5-TR...-ME774281--1.983-
5-ACETAMIDO-2-HYDROXYBENZOIC ACID5-Acetamido-2-hydroxybenzoic acidME773918--2.14-
5-ACETYLAMINO-6-AMINO-3-METHYLURACIL5-Acetylamino-6-amino-3-methyluracilME774093--0.712-
5-ACETYLAMINO-6-FORMYLAMINO-3-METHYLURACIL5-Acetylamino-6-formylamino-3-methyluracilME774340--0.631-
5ALPHA-DIHYDROTESTOSTERONE SULFATE5alpha-Dihydrotestosterone sulfateME774009--5.822-
5.ALPHA.-PREGNAN-3.ALPHA.,17-DIOL-20-ONE 3-SULFATE-ME774041--5.743-
5-(BETA-D-GLUCOPYRANOSYLOXY)-2-HYDROXYBENZOIC ACID-ME773861--1.259-
5-CHLORO-N-{[(5S)-2-OXO-3-[4-(3-OXOMORPHOLIN-4-YL)...RivaroxabanME773990--5.271-
5-FORMYL-2-HYDROXY-3-METHYL-BENZOIC ACID-ME774253--4.513-
5-FORMYL-2-HYDROXY-BESYLIC ACID-ME774166--1.797-
5-HYDROXY-1,7-BIS(4-HYDROXYPHENYL)HEPTAN-3-ONE-ME774379--5.086-
5-HYDROXY-2-(2-HYDROXY-6-METHOXY-4-METHYL-BENZOYL)...-ME774370--2.101-
5-HYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-4-OXO-4H-C...-ME774014--4.799-
5-HYDROXY-2-(4-HYDROXYPHENYL)-7-[[(2S,3R,4S,5S,6R)...-ME773908--4.164-
5-HYDROXY-6-METHOXY-2-(4-METHOXYPHENYL)-7-[(2S,3R,...-ME773895--6.074-
5-HYDROXY-7-(4-HYDROXY-3-METHOXY-PHENYL)-1-(4-HYDR...-ME774193--5.168-
5-(HYDROXYMETHYL)-2,4-DIMETHYLPYRIDIN-3-OL-ME773995--1.65-
5-NONADECYLBENZENE-1,3-DIOL5-NonadecylresorcinolME774094--13.225-
5-O-METHYLGENISTEIN-ME774376--3.779-
5-OXIDANYL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE-ME774173--2.695-
5-OXOTETRAHYDROFURAN-2,3-DICARBOXYLIC ACIDIsocitric acid lactoneME774168--0.49-
5S-HETE5S-HETEME773991--9.888-
(5Z)-4-[(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLOYL...-ME774277--1.466-
5-[(Z)-NONADEC-10-ENYL]RESORCINOL-ME773998--12.803-
6-AMINOPYRIDINE-3-CARBOXYLIC ACID-ME774236--0.72-
(6E,8E)-3-HYDROXY-10-KETO-4,9-DIMETHYL-10-[(2S,3R,...-ME773981--1.831-
6-HYDROXYNICOTINIC ACID6-Hydroxynicotinic acidME773727--0.539-
6-METHYL-2-METHYLOL-PYRIDIN-3-OL-ME774082--1.008-
6-METHYLOLPYRIDIN-3-OL-ME774050--2.275-
6-O-FERULOYLCATALPOL-ME774342--1.383-
6-OXO-OCTADECANOIC ACID-ME774338--8.45-
7.ALPHA.,17.ALPHA.-DIMETHYL-5.BETA.-ANDROSTANE-3.A...-ME774084--5.838-
7-METHOXY-2-OXO-1H-QUINOLINE-3-CARBOXALDEHYDE-ME774363--4.82-
7-OXABICYCLO[2.2.1]HEPTANE-2,3-DICARBOXYLIC ACID-ME773926--0.642-
(7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TR...-ME774259--10.873-
(+)-8,11,13-TOTARA-TRIEN-13-OL-ME774244--11.261-
8-[(2R,3R,4R,5S,6R)-6-(HYDROXYMETHYL)-5-[(2S,3R,4S...-ME774315--2.52-
8-[(2S,3R)-3-[(Z)-OCT-2-ENYL]OXIRAN-2-YL]CAPRYLIC ...-ME773901--9.826-
8-[(9Z)-HEXADEC-9-ENOYLOXY]HEXADECANOIC ACID-ME774352--9.399-
8-HYDROXY-5-QUINOLINECARBOXYLIC ACID-ME773970--1.994-
9-[3-HYDROXY-5-(HYDROXYMETHYL)-4-METHOXYOXOLAN-2-Y...-ME773831--1.216-
9-[(9Z)-OCTADEC-9-ENOYLOXY]OCTADECANOIC ACID-ME774329--10.475-
9-HYDROXY-NONANOIC ACID-ME773834--3.873-
9S-HPOTRE9S-HpOTrEME774344--5.873-
ACESULFAMEAcesulfameME774225--1.111-
ADGGA 18:1_20:3_20:4-ME774067--10.841-
ADGGA 20:1_20:0_20:0-ME774054--11.47-
ADGGA 20:1_20:0_20:1-ME774245--11.468-
ADIPIC ACIDAdipic acidME773816--0.479-
ALA PROAla-ProME774200--1.057-
ALPHA-D-GALACTOPYRANOSYL-(1->3)-D-GALACTOSE-ME774107--1.227-
ALPHA-D-GALACTOPYRANOSYL-(1->6)-ALPHA-D-GALACTO...-ME773914--0.684-
ALPHA-D-GALACTOPYRANURONOSYL-(1->4)-D-GALACTOPY...-ME773956--0.519-
ALPHA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-D-GLUCOPYRA...-ME774139--0.665-
ALPHA-N-PHENYLACETYLGLUTAMINEalpha-N-PhenylacetylglutamineME773759--2.176-
AMIFOSTINEAmifostineME773975--0.495-
AMINOSALICYLIC ACIDAminosalicylic acidME773817--0.511-
ANACARDIC ACIDAnacardic acidME773987--10.212-
ANDROSTERONE 3-GLUCURONIDEAndrosterone 3-glucuronideME774182--5.947-
ANSERINEAnserineME773784--0.783-
APIGENINApigeninME773773--4.379-
APIINApiinME774062--4.291-
ARABINONIC ACIDArabinonic acidME774121--0.597-
ATORVASTATINAtorvastatinME774215--7.027-
BENZOIC ACID [2-OXO-2-(2,4,6-TRIHYDROXYPHENYL)ETHY...-ME774341--0.506-
BETA-AMINOISOBUTYRIC-ACIDbeta-Aminoisobutyric acidME773794--0.463-
BETA-GENTIOBIOSEbeta-GentiobioseME773890--1.188-
CALYCOSINCalycosinME774251--4.266-
CAR(DC5:0(3ME))CAR DC5:0;3MeME774289--0.485-
CARGLUMIC ACIDCarglumic acidME773774--0.633-
CATECHIN 7-O-APIOFURANOSIDE-ME774080--2.106-
CER 17:0;2O/17:0;(3OH)Cer 17:0;O2/17:0;3OHME774333--13.73-
CER 18:0;2O/16:0;(3OH)Cer 18:0;O2/16:0;3OHME774314--13.841-
CER 18:0;2O/17:0;(3OH)Cer 18:0;O2/17:0;3OHME774278--13.963-
CER 18:1;2O/20:4Cer 18:1;O2/20:4ME774362--13.888-
CER 19:0;2O/17:0;(3OH)Cer 19:0;O2/17:0;3OHME774318--14.064-
CHENODEOXYCHOLIC ACIDChenodeoxycholic acidME773801--7.752-
CHLOROTHIAZIDEChlorothiazideME773966--1.424-
CHOLESTEROL SULFATECholesterol sulfateME773724--12.174-
CIRSILIOLCirsiliolME773960--4.624-
CIS-ACONITIC ACIDcis-Aconitic acidME773752--0.493-
CITRACONIC ACIDCitraconic acidME773934--0.498-
CITRIC ACIDCitric acidME773771--0.784-
CITRULLINECitrullineME773799--0.553-
COPROCHOLIC ACIDCoprocholic acidME773873--8.304-
CORTISOL 21-SULFATECortisol 21-sulfateME773977--4.771-
CORTISONECortisoneME773781--5.504-
CREATINECreatineME773734--0.609-
CURCUMINCurcuminME774181--6.805-
CYCLOHEXANE-1,3-DICARBOXYLIC ACID-ME774208--1.128-
CYTIDINECytidineME773808--0.92-
DAIDZEINDaidzeinME773829--3.656-
DEHYDROEPIANDROSTERONE SULFATEDehydroepiandrosterone sulfateME773880--5.943-
DEOXYCHOLIC ACIDDeoxycholic acidME773772--7.748-
DEOXYCYTIDINEDeoxycytidineME773871--1.196-
DEOXYNIVALENOLVomitoxinME774018--5.017-
DEOXYURIDINEDeoxyuridineME773782--1.283-
D-GALACTOPYRANURONIC ACIDGalacturonic acidME774256--5.078-
DHADHAME773780--10-
DODECANEDIOIC ACIDDodecanedioic acidME773806--2.712-
(E)-2,7-DIMETHYL-8-[[(2R,3R,4S,5S,6R)-3,4,5-TRIHYD...-ME774115--1.878-
(E,2S,3R)-5-(3-HYDROXY-2-METHYLOL-PHENYL)PENT-4-EN...-ME774035--3.858-
(E)-3,10-DIHYDROXY-4,9-DIMETHYL-DODEC-6-ENEDIOIC A...-ME773907--2.551-
(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID [(2...-ME774242--2.63-
(E)-4-HYDROXYNON-2-ENOIC ACID-ME774133--3.953-
(E)-N-(4-ACETAMIDOBUTYL)-3-(4-HYDROXY-3-METHOXY-PH...-ME774249--5.069-
EPICATECHINEpicatechinME774088--2.763-
ERYTHRITOLErythritolME774170--0.632-
ETHANESULFONIC ACID-ME773862--0.548-
ETHOXY-HYDROXY-METHYL-THIOXO-PHOSPHORANE-ME774218--1.626-
ETHYL (2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOATE-ME774195--2.599-
ETHYL (2E)-3-(4-HYDROXYPHENYL)PROP-2-ENOATE-ME774241--4.477-
ETHYLMALONIC ACIDEthylmalonic acidME773809--0.491-
FAHFA 15:0/16:0FAHFA 15:0/O-16:0ME774353--9.444-
FAHFA 16:0/18:2FAHFA 16:0/O-18:2ME773967--13.433-
FAHFA 16:0/3:0-ME774101--10.65-
FAHFA 17:0/18:0FAHFA 17:0/O-18:0ME774295--10.616-
FAHFA 18:2/18:1FAHFA 18:2/O-18:1ME774285--9.827-
FAHFA 18:3/18:2FAHFA 18:3/O-18:2ME774291--9.232-
FAHFA 20:0/20:0FAHFA 20:0/O-20:0ME774357--11.489-
FAHFA 20:1/20:0FAHFA 20:1/O-20:0ME774284--11.443-
FAHFA 20:3/20:2FAHFA 20:3/O-20:2ME774337--10.357-
FAHFA 20:4/18:1FAHFA 20:4/O-18:1ME774336--9.904-
FAHFA 22:4/22:3FAHFA 22:4/O-22:3ME774283--10.777-
FAHFA 22:6/18:1FAHFA 22:6/O-18:1ME774065--13.358-
FAHFA 22:6/20:3FAHFA 22:6/O-20:3ME774365--9.916-
FAHFA 24:1/22:0FAHFA 24:1/O-22:0ME773919--12.755-
FAHFA 24:1/24:0FAHFA 24:1/O-24:0ME774122--12.911-
FAHFA 3:0/20:0-ME773866--12.005-
FAHFA 3:0/22:0-ME774185--12.598-
FAHFA 3:0/23:0-ME774158--12.831-
FAHFA 3:0/24:0-ME774030--13.059-
FAHFA 3:0/24:1-ME773887--12.661-
FAHFA 4:0/16:0-ME774361--9.641-
FAHFA 4:0/18:0-ME774280--10.659-
FAHFA 4:0/18:1-ME774287--10.102-
FAHFA 4:0/24:1-ME774017--12.819-
FAMOTIDINEFamotidineME773822--2.742-
FEXOFENADINEFexofenadineME774345--6.492-
FORMONONETINFormononetinME773755--5.239-
FORMYLANTHRANILIC ACIDFormylanthranilic acidME774021--1.82-
GALACTITOLGalactitolME773741--0.584-
GALACTURONIC ACIDGalacturonic acidME773949--0.633-
GAMMA-TOCOPHEROLgamma-TocopherolME774117--12.164-
GENISTEINGenisteinME773807--4.146-
GENISTEIN 7-O-APIOSYL-(1->6)-GLUCOSIDE-ME774174--4.164-
GINKGOLIC ACIDGinkgolic acidME774234--10.719-
GINSENOSIDE A2-ME774232--7.54-
GLUCONIC ACIDGluconic acidME773798--0.53-
GLUCOSANGlucosanME774156--0.608-
GLUTAMIC ACIDGlutamic acidME773814--0.503-
GLUTARIC ACIDGlutaric acidME773758--0.463-
GLYCERO-TETRULOSE-ME774172--2.029-
GLYCOCHOLIC ACIDGlycocholic acidME773797--6.519-
GLYCOURSODEOXYCHOLIC ACIDGlycoursodeoxycholic acidME773747--6.226-
GLYCYLGLYCYL-L-LEUCINEGly-Gly-LeuME774213--1.679-
GLYCYL-L-PHENYLALANYL-L-PHENYLALANINEGly-Phe-PheME773904--4.168-
GLY-LEUGly-LeuME773736--1.696-
GLY-VALGly-ValME773805--1.052-
GUANOSINEGuanosineME773787--1.38-
HEXCER 16:0;2O/18:1;OHexCer 16:0;O2/18:1;OME774258--13.644-
HEXCER 16:2;2O/18:0;OHexCer 16:2;O2/18:0;OME774260--13.543-
HEXCER 17:1;2O/17:1;OHexCer 17:1;O2/17:1;O*ME774270--13.529-
HEXCER 19:0;2O/15:1;OHexCer 19:0;O2/15:1;O*ME774331--13.669-
HYDROCHLOROTHIAZIDEHydrochlorothiazideME773766--1.756-
ILE-GLYIle-GlyME774160--1.906-
INDOLE-3-CARBOXYLIC ACIDIndole-3-carboxylic acidME773769--1.21-
ISOBUTYRYLGLYCINEIsobutyrylglycineME773882--1.001-
ISOSAKURANETINIsosakuranetinME773933--5.078-
ISOVALERYLGLYCINEIsovalerylglycineME773830--1.632-
ITACONIC ACIDItaconic acidME773776--0.513-
KETOISOVALERIC ACIDKetoisovaleric acidME774106--0.949-
KETOLEUCINEKetoleucineME773726--1.781-
KETOPROFEN GLUCURONIDEKetoprofen glucuronideME774083--3.648-
KYNURENIC ACIDKynurenic acidME773753--2.04-
L-ASPARAGINYL-L-LEUCINEAsn-LeuME773945--1.455-
L-ASPARAGINYL-L-PHENYLALANINEAsn-PheME774071--1.871-
L-ASPARAGINYL-L-PROLINEAsn-ProME773915--1.057-
L-ASPARAGINYL-L-VALINEAsn-ValME774002--0.867-
LEUCINIC ACIDLeucinic acidME773777--1.52-
LEU GLY GLYLeu-Gly-GlyME774191--2.018-
LEU GLY LEULeu-Gly-LeuME773946--3.681-
LEVULINIC ACIDLevulinic acidME773762--0.643-
L-HISTIDYL-L-ISOLEUCINEHis-IleME773953--2.118-
L-HISTIDYL-L-PROLINEHis-ProME774022--1.126-
L-ISOLEUCYL-L-ISOLEUCINEIle-IleME773844--4.262-
L-ISOLEUCYL-L-SERINEIle-SerME774157--1.694-
LITHOCHOLIC ACIDLithocholic acidME773803--8.623-
L-LEUCYL-L-ASPARAGINELeu-AsnME774039--1.604-
L-LEUCYL-L-GLUTAMIC ACIDLeu-GluME774052--1.167-
L-LEUCYL-L-THREONINELeu-ThrME774025--2.12-
L-METHIONINE S-OXIDEMethionine sulfoxideME774100--0.563-
L-METHIONYL-L-THREONINEMet-ThrME773986--1.477-
LPC(14:0)LPC 14:0ME774364--9.796-
L-PHENYLALANYL-L-ASPARAGINEPhe-AsnME773858--2.125-
L-PHENYLALANYL-L-ASPARTIC ACIDPhe-AspME773941--1.133-
L-PHENYLALANYL-L-GLUTAMIC ACIDPhe-GluME773982--1.467-
L-PROLYL-L-GLUTAMINEPro-GlnME774143--1.168-
L-SERYL-L-LEUCINESer-LeuME774051--1.489-
L-SERYL-L-VALINESer-ValME773959--0.847-
L-THREONYL-L-LEUCINEThr-LeuME773852--1.768-
L-THREONYL-L-PROLINEThr-ProME774114--0.881-
L-THREONYL-L-VALINEThr-ValME773869--1.182-
L-TRYPTOPHYL-L-LEUCINETrp-LeuME774029--4.322-
L-TRYPTOPHYL-L-PROLINETrp-ProME773899--3.162-
L-TRYPTOPHYL-L-THREONINETrp-ThrME774223--2.662-
L-TYROSYL-L-LEUCINETyr-LeuME773839--3.733-
L-TYROSYL-L-PHENYLALANINETyr-PheME773864--3.584-
L-TYROSYL-L-PROLINETyr-ProME774186--2.004-
LUMICHROMELumichromeME773828--3.801-
L-VALYL-L-SERINEVal-SerME774151--0.851-
L-VALYL-L-THREONINEVal-ThrME773925--1.535-
L-VALYL-L-VALINEVal-ValME773999--2.911-
METHIONIC ACID-ME774073--0.449-
METHIONINEMethionineME773743--0.797-
METHYL (2E)-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-EN...-ME773840--5.104-
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME773756--0.6-
METHYLSUCCINIC ACIDMethylsuccinic acidME773819--0.464-
METHYL VANILLATEMethyl vanillateME773856--3.015-
MGDG O-18:2_16:0-ME774325--14.57-
N-[1-(1H-BENZIMIDAZOL-2-YL)ETHYL]BENZENESULFONAMID...-ME774271--0.897-
N-(2-HYDROXYPHENYL)ACETAMIDE-ME773832--2.724-
N-[(2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL]ACETAMID...-ME774265--10.842-
N-{4-[(5-METHYL-1,2-OXAZOL-3-YL)SULFAMOYL]PHENYL}E...-ME773927--2.483-
N-[4-HYDROXY-3-(METHYLTHIO)PHENYL]ACETAMIDE-ME773997--3.107-
N-(4-HYDROXYPHENYL)GLYCINE-ME774202--1.765-
N-[(8E)-3,4-DIHYDROXY-1-{[3,4,5-TRIHYDROXY-6-(HYDR...-ME774261--13.357-
N-[9-[4-HYDROXY-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2...-ME774144--1.603-
N-ACETYLASPARTIC ACIDN-Acetylaspartic acidME773789--0.471-
N-ACETYL-D-PHENYLALANINEN-AcetylphenylalanineME773729--2.471-
N-ACETYL-D-TRYPTOPHANN-Acetyl-D-tryptophanME773739--2.114-
N-ACETYLGLUTAMIC ACIDN-Acetylglutamic acidME774126--0.48-
N-ACETYLHISTAMINEN-AcetylhistamineME774212--1.517-
N-ACETYLHISTIDINEN-AcetylhistidineME773989--0.629-
N-ACETYLLEUCINEN-AcetylleucineME773818--2.254-
N-ACETYLTHREONINEN-AcetylthreonineME774085--0.609-
N-ACETYLTYROSINEN-AcetyltyrosineME773728--1.562-
N-ACETYLVALINEN-AcetylvalineME773957--1.377-
N-AMIDINO-L-GLUTAMATEalpha-Guanidinoglutaric acidME774129--0.508-
N-ARACHIDONOYL L-SERINEN-Arachidonoyl L-serineME773909--9.153-
NARCISSIN-ME774167--3.523-
NARIRUTINNarirutinME773944--3.665-
NICOTINIC ACIDNicotinic acidME773792--0.713-
N-METHYL-7H-PURIN-6-AMINE6-MethyladenineME773732--2.288-
N-PALMITOYL TAURINEN-Palmitoyl taurineME774023--8.023-
N-PHENYLACETYLPHENYLALANINEN-PhenylacetylphenylalanineME774016--4.768-
OCTYL HYDROGEN SULFATE-ME774178--4.673-
OXOADIPIC ACIDOxoadipic acidME773744--0.527-
OXOGLUTARIC ACID2-Oxoglutaric acidME773770--0.479-
PA 16:0_22:4PA 16:0_22:4ME773874--10.43-
PALATINOSEPalatinoseME774096--0.661-
PALMITIC ACID [2-[2-AMINOETHOXY(HYDROXY)PHOSPHORYL...-ME774076--10.198-
PANTETHEINEPantetheineME774382--1.017-
PENCICLOVIRPenciclovirME773761--1.761-
PENTANE-1,2,3,4,5-PENTOLArabitolME773754--0.636-
PGF2BETAPGF2betaME774097--6.485-
PHENYLACETYLGLYCINEPhenylacetylglycineME773810--2.171-
PHENYLALANINEPhenylalanineME773733--1.891-
PHEOPHORBIDE APheophorbide aME774319--10.73-
PHTHALIC ACIDPhthalic acidME773820--0.512-
P-HYDROXYPHENYLACETIC ACID4-Hydroxyphenylacetic acidME774372--0.803-
PICEATANNOLPiceatannolME773863--3.193-
PIMELIC ACIDPimelic acidME773815--0.485-
PINITOLPinitolME773738--0.812-
PINORESINOLPinoresinolME774290--1.704-
PONCIRINPoncirinME774055--5.232-
PREGNENOLONE SULFATEPregnenolone sulfateME773888--6.388-
PRO-GLUPro-GluME774109--1.169-
PROTOCATECHUIC ACIDProtocatechuic acidME773826--0.526-
PSEUDOURIDINEPseudouridineME773791--0.723-
PTERINPterinME773935--1.201-
PYRIDOXINEPyridoxineME773778--1.29-
QUINOLINE-2,8-DIOLQuinoline-2,8-diolME774250--2.91-
QUINOLINIC ACIDQuinolinic acidME773749--0.771-
RIBOFLAVINRiboflavinME773718--3.591-
(R)-PANTOIC ACID(R)-Pantoic acidME774077--0.773-
SALICYLIC ACIDSalicylic acidME773824--1.74-
SALICYLURIC ACIDSalicyluric acidME774072--1.587-
SCHAFTOSIDE-ME774310--2.287-
SHIKIMIC ACIDShikimic acidME773765--0.504-
SINAPIC ACIDSinapic acidME774327--1.756-
STEARIDONIC ACIDStearidonic acidME773972--10.332-
SUCCINIC ACIDSuccinic acidME773767--0.434-
SUCRALOSESucraloseME773721--3.36-
SUCROSESucroseME773735--0.666-
SULFOACETIC ACIDSulfoacetic acidME773835--0.493-
SULFURIC ACID [(1R)-1-[(8R,9S,10R,13S,14S,17R)-17-...-ME773952--5.937-
SULFURIC ACID [(1R,2R,3R)-3-ACETAMIDO-1-[(1R)-1,2-...-ME774132--0.551-
SULFURIC ACID [(2R,3S,4S,5R)-3,4,5-TRIHYDROXY-6-[2...-ME774169--2.555-
SULFURIC ACID [(2R,4R,5R)-5-AMINO-3,4,6-TRIHYDROXY...-ME774042--1.282-
SULFURIC ACID [(3S,5S,8R,9S,10S,13S,14S,17S)-17-AC...-ME774036--6.206-
SULFURIC ACID [4-(7-HYDROXY-4-OXO-1-BENZOPYRAN-3-Y...-ME773875--2.626-
SULFURIC ACID [(8R,9S,10R,13S,14S,17S)-3-KETO-10,1...-ME773922--6.19-
SULFURIC ACID LAURYL ESTER-ME774311--8.101-
SYRINGIC ACIDSyringic acidME773760--0.909-
TAURINETaurineME773821--0.544-
TAUROCHENODEOXYCHOLIC ACIDTaurochenodeoxycholic acidME773723--6.596-
TAUROCHOLIC ACIDTaurocholic acidME773813--6.651-
TAURODEOXYCHOLIC ACIDTaurodeoxycholic acidME773719--7.364-
TAUROLITHOCHOLATE SULFATETaurolithocholic acid sulfateME773939--5.741-
TEREPHTHALIC ACIDTerephthalic acidME773768--0.505-
THEOPHYLLINETheophyllineME773827--1.865-
THREONIC ACIDThreonic acidME773763--0.53-
THREONINEThreonineME773720--0.579-
THREOSEThreoseME774231--0.612-
THR TRPThr-TrpME773985--2.268-
THR TYRThr-TyrME774194--1.173-
THR VAL LEUThr-Val-LeuME773848--3.01-
TOPIRAMATETopiramateME773993--4.49-
TRANS-FERULIC ACIDtrans-Ferulic acidME774000--1.817-
TRANS-ZEATINtrans-ZeatinME774175--1.792-
TRAUMATIC ACIDTraumatic acidME773779--2.388-
TRYPTOPHANTryptophanME773795--2.177-
TYROSINETyrosineME773790--0.892-
URIDINEUridineME773737--0.999-
UROCANIC ACIDUrocanic acidME773775--0.62-
VAL GLY VALVal-Gly-ValME774219--2.646-
VANCOMYCIN-ME773783--3.516-
VANYLGLYCOLVanylglycolME773902--2.723-
XANTHURENIC ACIDXanthurenic acidME773742--0.756-
(Z)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID [(2...-ME774381--2.059-
(Z)-3-PHENYL-2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-...-ME773954--2.597-
(Z)-9,10,11-TRIHYDROXYOCTADEC-12-ENOIC ACID-ME773971--5.398-
(Z)-9,12,13-TRIHYDROXYOCTADEC-15-ENOIC ACID-ME773892--5.376-


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