(+)-aplysinillin
(+)-artemisinic acid  
(+)-dexrazoxane  +
(+)-dihydromyricetin  
(+)-lyoniresinol  +
(+)-syringaresinol  +
(-)-annonaine  +
(-)-beta-elemene
(-)-demecolcine  
(-)-epigallocatechin 3-gallate  
(-)-marinopyrrole A
(1-hydroxycyclopentyl)phenylacetic acid  +
(10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid  +
(1S,2S,5S)-2-(4-glutaridylbenzyl)-5-phenyl-1-cyclohexanol
(1S,9S)-9-amino-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
(2->6)-beta-D-fructan
(2-nitrophenoxy)acetic acid
(22E,24R)-5alpha,8alpha-epidioxyergosta-6,9,22-triene-3beta-ol-3-O-beta-D-glucopyranoside
(2R,3R,4S,5R)-5-(3,4-dichlorophenyl)-5'-methyl-1',3'-dioxo-4-\{[4-(1,2,3-thiadiazol-4-yl)phenyl]carbamoyl\}-1',3',4,5-tetrahydro-3H-spiro[furan-2,2'-indene]-3-carboxylic acid
(2S),(2''S)-8,8''-5',5''-tetrahydroxy-7,7''-3,3''-4,4''-hexamethoxy-5,5''-biflavan
(2S),(2''S)-8,8''-5'-trihydroxy-7,7''-3,3''-4,4''-5''-heptamethoxy-5,5''-biflavan
(2S)-(-)-kurarinone  +
(2S)-2'-hydroxy-7,8,3',4',5'-pentamethoxyflavan
(2S)-2'-methoxykurarinone
(2S)-2-[(\{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl\}carbonyl)amino]-4-(2H-tetrazol-5-yl)butanoic acid
(2S)-3-methyl-2-((2R,3S)-3-[(methylsulfonyl)amino]-1-\{[2-(pyrrolidin-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl\}pyrrolidin-2-yl)butanoic acid
(2S)-5,7-dimethoxy-8-(2S-hydroxy-3-methyl-3-butenyl)-3',4'-methylenedioxyflavanone
(2S)-5,7-dimethoxy-8-formylflavanone
(2S)-5-Hydroxy-7-methoxy-8-[(E)-3-oxo-1-butenyl]flavanone
(2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid
(2xi)-D-gluco-heptonic acid
(2Z,3Z)-bis\{amino[(2-aminophenyl)sulfanyl]methylidene\}butanedinitrile
(2Z,4Z)-2-hydroxyhexa-2,4-dienoic acid
(3-bromo-4-hydroxy-5-nitrophenyl)acetic acid  +
(3beta)-3,27-dihydroxyolean-12-en-28-oic acid  +
(3beta,16alpha)-16-hydroxy-13,28-epoxyoleanan-3-yl alpha-L-Rhap-(1->2)-beta-D-Glcp-(1->4)-[beta-D-Glcp-(1->2)]-alpha-L-arabinopyranoside
(3R)-8-cyclopropyl-6-(morpholin-4-ylmethyl)-7-(1-naphthylmethyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
(4-hydroxy-3-iodo-5-nitrophenyl)acetic acid  +
(4-hydroxy-3-nitrophenyl)acetic acid  +
(6,8-difluoro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid
(6-methoxy-2-naphthyl)acetic acid
(6S)-5-formyltetrahydrofolic acid
(7Z)-lobohedleolide
(9Z,11E,13S,14Z)-13-hydroperoxyoctadeca-9,11,14-trienoic acid
(methylthio)acetic acid
(R)-2-hydroxy-4-(hydroxymethylphosphinyl)butyric acid
(R)-3-[(R)-3-hydroxybutanoyloxy]butanoic acid
(R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid
(S)-(+)-4-(5-carboxypentyl)methamphetamine
(S)-2,5,5-trimethylthiazolidine-4-carboxylic acid
(S)-2-acetyl-2-hydroxybutanoic acid
(Z)-3-aminoacrylic acid
(Z)-4-glutaramidostilbene
1'-deoxyabscisic acid
1,1'-bi(cyclohexyl)-1-carboxylic acid  +
1,3-thiazolemonocarboxylic acid  +
1,4-dihydroxy-6-naphthoic acid
1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone
1-(4-sulfophenyl)-3-carboxy-4-amino-5-oxopyrazole
1-aminocyclopropanecarboxylic acid  +
1-deoxypentalenic acid
1-deoxysphinganine
1-methyltryptophan
1-O-(alpha-D-galactopyranosyl)-N-hexacosanoylphytosphingosine  
1-pyrrolinecarboxylic acid  +
10-hydroxycanthin-6-one
12-deacetoxy-21-acetoxyscalarin
12-O-acetyl-16-O-deacetyl-16-epi-scalarobutenolide
13,14-dihydro-Delta(12)-prostaglandin J2
14-norpseurotin A
15-O-deacetylnimbolidin B
16,23-epoxy-5beta-cholestane triglycoside
16-feruloyloxypalmitic acid
16-O-deacetyl-16-epi-scalarolbutenolide
17-dimethylaminolobohedleolide
17-hydroxyprogesterone 3-O-(carboxymethyl)oxime
18-oxotryprostatin A
1R,4S,6R-1,4-endoperoxy-bisabola-2,10-diene
1S,4R,6R-1,4-endoperoxy-bisabola-2,10-diene
2',4'-dihydroxy-3'-(2-hydroxy benzyl)-6'-methoxy chalcone
2,2,3,3-tetramethylcyclopropanecarboxylic acid  +  
2,3-dihydroxy-3-methylbutanoic acid  +
2,4-DB
2,4-diaminobutyric acid  +
2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
2,6-dichloroisonicotinic acid
2,6-dimethyl-5-methylenehept-2-enoic acid  +
2-(2,4-dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran
2-(2-amino-1,3-thiazol-4-yl)-2-(1-carboxy-1-methylethoxyimino)acetylaminomethylboronic acid
2-(2-hydroxyphenyl)-4,5-dihydrothiazole-4-carboxylic acid  +
2-(2-methoxyethoxy)propanoic acid
2-(4-chlorophenyl)-3-methylbutyric acid  +  
2-(4-hydroxyphenylazo)benzoic acid
2-(hydroxymethyl)-4-oxobutanoic acid
2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-galactopyranose  +
2-acetyllactic acid  +
2-amino-2-methylbutanoic acid
2-amino-3-oxobutanoic acid  +
2-amino-5,6-dimethylbenzimidazole-1-pentanoic acid
2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid
2-arylpropionic acid  +  
2-cis-abscisic acid  +
2-fluoroadenine  +
2-hydroxy-2H-benzo[h]chromene-2-carboxylic acid
2-hydroxybutyric acid  +
2-L-arginyl-1,3-benzothiazole-6-carboxylic acid
2-methoxy-17beta-estradiol  +  
2-methylacetoacetic acid
2-O-(6-phosphono-alpha-D-mannosyl)-D-glyceric acid
2-oxobutanoic acid  
20(R),22(xi),24(S)-dammar-25(26)-ene-3beta,6alpha,12beta,20,22,24-hexanol
20-epi-bryonolic acid
23,24-dimethylcholest-16(17)-E-en-3beta,5alpha,6beta,20(S)-tetrol
25-O-methoxycimigenol 3-O-alpha-L-arabinopyranoside
3',4',5-trihydroxy-3,6,7-trimethoxyflavone
3',4',7-trihydroxyisoflavone  
3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin  
3,3'-diindolylmethane  
3,4,5-trimethoxydihydrocinnamic acid
3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid
3,5-di-O-caffeoyl quinic acid  +
3,5-dihydroxy-2-(1'-oxo-3'-hexadecenyl)-2-cyclohexene-1-one
3-(10-methyl-9-anthryl)propanoic acid
3-(2,3-dihydroxyphenyl)propanoic acid
3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid  +  
3-(2-hydroxyphenyl)propanoic acid
3-(2-methoxyethoxy)propanoic acid
3-(3,4-dihydroxyphenyl)propanoic acid  
3-(3-hydroxyphenyl)propanoic acid
3-(3-sulfooxyphenyl)propanoic acid
3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid
3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoic acid  +
3-(indol-3-yl)-2-oxobutyric acid  +
3-[2-(trifluoromethyl)phenyl]propanoic acid  +
3-acetamino-6-isobutyl-2,5-dioxopiperazine
3-aminobutanoic acid  +
3-beta-O-(E)-coumaroyl-D:C-friedooleana-7,9(11)-dien-29-oic acid
3-butynoic acid
3-chloroacrylic acid  +
3-cyclopentylpropionic acid  +
3-epi-heliangin
3-hydroxy-2-methylbutanoic acid  +
3-hydroxy-3-phenylpropionic acid  +
3-hydroxybutyric acid  +  
3-hydroxyisovaleric acid  +
3-hydroxyphenylacetic acid
3-hydroxypicolinic acid
3-methyl-2-oxobutanoic acid  
3-nitroacrylic acid
3-phenylpropionic acid  +  
3beta,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one
3beta-O-\{alpha-L-Rhap-(1->2)-beta-D-Glcp-(1->4)-[beta-D-Glcp-(1->2)]-alpha-L-Arap\}primulagenin A
4',5'-dihydro-11,5'-dihydroxy-4'-methoxytephrosin
4',5,7-trihydroxy-3'-methoxyflavone  +  
4'-epidoxorubicin  
4,6-O-[(1R)-1-carboxyethylidene]-D-galactose  +
4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid
4-(2-amino-5-hydroxyphenyl)-2,4-dioxobutanoic acid
4-(2-aminophenyl)-2,4-dioxobutanoic acid
4-(2-thienyl)butyric acid
4-(4-styrylphenylcarbamoyl)butyric acid
4-(5-carboxypentanamido)antipyrine
4-(5-ethyl-2-thienyl)-4-oxobutyric acid
4-(hydroxymethylphosphinyl)-2-oxobutyric acid
4-(methylamino)butyric acid
4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methylamino]but-2-enoic acid
4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
4-[4-(2,5-dioxopyrrolidin-1-yl)phenylamino]-4-hydroxybutyric acid
4-[4-(3,5-dioxohexyl)phenylcarbamoyl]butyric acid
4-\{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino\}benzoic acid  
4-acetamidobutanoic acid
4-carboxy-4'-sulfoazobenzene
4-chlorophenylacetic acid
4-guanidinobutanoic acid
4-hydroperoxycyclophosphamide  
4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid
4-hydroxybutyric acid  +  
4-hydroxyphenyl retinamide  
4-hydroxyphenylacetic acid  +  
4-hydroxyphenylacetylglycine
4-methoxymagnaldehyde B
4-methoxyphenylacetic acid
4-methyl-2-pyrroline-5-carboxylic acid  +
4-methyl-5-pentylbenzene-1,3-diol
4-methylaeruginoic acid
4-methylthio-2-oxobutanoic acid  +  
4-oxo-4-(2-thienyl)butyric acid
4-oxo-4-(pyridin-3-yl)butanoic acid
4-oxo-4-phenylbutyric acid
5(6)-carboxy-2',7'-dichlorofluorescein  
5,10,15,20-tetrakis(1-methylpyridinium-4-yl)porphyrin  
5,6,7,8-tetrahydro-2-naphthoic acid
5,6,7,8-tetrahydropterin-6-carboxylic acid
5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid
5-(p-nitrophenylphosphonate)pentanoic acid
5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid
5-[(4-nitrobenzyl)(phosphonomethyl)amino]valeric acid
5-[2-(2-oxoethoxy)ethoxy]-diclofenac
5-\{N-[4-(4-cyanostyryl)phenyl]-N-methylamino\}pentanoic acid
5-aminolevulinic acid  +  
5-azaorotic acid
5-bromo-2'-deoxyuridine  
5-bromo-8-methoxy-1-methyl-beta-carboline
5-carboxyfluorescein
5-dehydro-4-deoxy-2-O-sulfo-D-glucuronic acid
5-fluoro-2'-deoxyuridine  
5-fluorouracil  
5-hydroxy-2-(1'-hydroxyethyl)naphtho[2,3-b]furan-4,9-dione
5-hydroxy-2-methylchromone-7-O-rutinoside
5-hydroxy-6-methoxy-2-methylchromone-7-O-rutinoside
5-hydroxy-7-prop-2-en-(E)-ylidene-7,7a-dihydro- 2H-cyclopenta[b]pyran-6-one
5-hydroxy-7-prop-2-en-(Z)-ylidene-7,7a-dihydro- 2H-cyclopenta[b]pyran-6-one
5-O-ethyl embelin
5-O-methyl embelin
5alpha,8alpha-epidioxycholest-6-en-3beta-ol
5alpha,8alpha-epidioxysterol
6-(4-hydroxy-3-nitrobenzamido)hexanoic acid
6-(4-hydroxy-5-iodo-3-nitrobenzamido)hexanoic acid
6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran
6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran
6-[4-(5,5-dimethyltetrahydrofuran-3-yl)phenoxy]hexanoic acid
6-\{4-[hydroxy-(4-nitrophenoxy)phosphoryl]butyrylamino\}hexanoic acid
6-\{[5-(p-nitrophenoxy)-5-oxopentanoyl]amino\}hexanoic acid
6-azauridine
6-carboxyfluorescein  
6-hydroxypaclitaxel  
6-methoxyspirotryprostatin B
7,3',4'-trihydroxy-3,8-dimethoxyflavone
7,8-dihydroxyflavanone
7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-4E-heptene-3-one
7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone
7-carboxy-7-deazaguanine
7-methoxycoumarin-4-acetic acid
7-methoxydeoxymorellin
7-oxo-3,8,9-trihydroxy staurosporine
7-oxo-8,9-dihydroxy-4'-N-demethyl staurosporine
7alpha-hydroperoxy manool
7beta-aminocephalosporanic acid
7beta-aminodeacetoxycephalosporanic acid
8'-(3-hydroxy-3-methylglutaryloxy)abscisic acid
8,8a-epoxymorellic acid
8-azaguanine  
8-benzyl-7-hydroxy-4,10-dioxo-1-phenyl-6-oxa-3,9-diaza-7-phosphatetradecan-14-oic acid 7-oxide
8-hydroxy-2-(1'-hydroxyethyl)naphtho-[2,3-b]-furan-4,9-dione
8alpha-19-dihydroxylabd-13E-ene-15-oic acid
9(11)-dehydroaxinysterol
9-(2-carboxyethyl)-10-methylanthracene endoperoxide
9-beta-D-arabinofuranosylguanine  +
9-cis-retinoic acid  +  
9-deacetoxyfumigaclavine C
9-hydroxy hedychenone
9-hydroxycanthin-6-one
9-methoxycanthin-6-one
9beta-pimara-7,15-dien-19-oic acid
abacavir 5'-carboxylic acid
abarelix
abietic acid  +
abiraterone  +
abiraterone acetate
abscisic acids  +
abyssinone A
abyssinone C
abyssinone D
acetic acid  +  
acetoacetic acid  +
acifluorfen  
acronycine
acrylic acid  +  
aculeatol E
acumitin
acutoside A
adapalene  
afatinib
afimoxifene  
agathisflavone
ageladine A
agigenin  +
aklavinone
albizoside A
albizoside B
albizoside C
alclofenac  
aldehydic acid  +  
aldonic acid  +  
alfuzosin  +  
all-trans-acitretin  
all-trans-retinoic acid  +  
allanxanthone C
alpha-amino-gamma-cyanobutanoic acid
alpha-aminobutyric acid  +
alpha-D-Gal-(1->3)-alpha-D-Gal-(1->4)-D-GlcNAc-(CH2)5CO2H
alpha-D-Kdo-4P-OAll
alpha-D-Kdo-5P-OAll
alpha-D-Ko
alpha-ionylideneacetic acid
alpha-sulfophenylacetic acid
alvaradoin E
alvaradoin F
alvaradoin G
alvaradoin H
alvaradoin I
alvaradoin J
alvaradoin K
alvaradoin L
alvaradoin M
alvaradoin N
amino monocarboxylic acid  +
aminoglutethimide  +  
aminonicotinic acid  +
amlexanox  
amomol A
anastrozole  
andrographolide  
ansamitocin P3
antroquinonol
aphidicolin  
apigenin  +  
aplysinoplide A
aplysinoplide B
aplysinoplide C
apratoxin A
apratoxin D
apratoxin E
ardisianoside A
ardisianoside B
ardisianoside C
ardisianoside D
ardisianoside E
ardisiphenol A
ardisiphenol B
ardisiphenol C
arenamide A
arenamide B
aristolochic acid  
arsonoacetic acid
artocarpin
artochamin C
artoindonesianin E1
artoindonesianin P
ascidiathiazone A
ascidiathiazone B
asiatic acid  
asperfuranone
aspergillide A
aspergillide B
aspergillide C
asprellic acid A
asprellic acid C
ATTO 425-2  +
ATTO 465-2(1+)  +
ATTO 495-2  +
ATTO 495-2(1+)  +
ATTO 520-2  +
ATTO 520-2(1+)  +
axitinib
azathioprine  
azelaic acid  
azetidinecarboxylic acid  +
baclofen  
ballodiolic acid
ballotenic acid
BE-54238A
BE-54238B
belinostat
benzimidazolecarboxylic acid  +  
benzoic acids  +  
bepotastine
beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc  +
beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GlcpNAc
beta-D-Delta(4)-GlcpA-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-beta-D-Glcp
beta-elemene  +
beta-lapachone  
beta-thujaplicin
betulin  +  
betulinic acid  +  
bevirimat
bexarotene
BF 4
BF 5
BF 6
BGJ-398
BGT226
BGT226 free base
bicalutamide  
bielschowskysin
bile acid  +  
biotins  +  
biphenyl-4-ylacetic acid
bis(4-chlorophenyl)acetic acid
bis-(4-hydroxybenzyl)sulfide
bistratamide E
bistratamide F
bistratamide G
bistratamide H
bistratamide I
bistratamide J
BKM120
bleomycin A2  
bleomycin B2
BML-210
BODIPY FL
BODIPY R6G
bortezomib
bosutinib  +
bosutinib hydrate
bowdichione
brasilicardin A
brasiliquinone A
brasiliquinone B
brasiliquinone C
brasixanthone B
brasixanthone C
brasixanthone D
brevipolide A
brevipolide B
bromochloroacetic acid  
bromophycolide A
bufalin  
busulfan  
butanoate ester  +  
butein  
butyrate  +  
butyryl group
butyryl-CoA  +
cabazitaxel
cabergoline  
cabozantinib  +
cabozantinib malate
cadiyenol
calcitriol  +  
calicheamicin gamma1(I)
callophycoic acid A
callophycoic acid C
callophycoic acid D
callophycoic acid E
callophycoic acid F
callophycoic acid G
callophycoic acid H
callophycol A
callophycol B
calotropone
camptothecin  
candoxatril
canertinib
capecitabine  
capilliposide B
carbamazepine  
carbapenemcarboxylic acid  +
carbazic acid  +
carbidopa  
carbidopa (anhydrous)  +  
carboplatin  
carboxyfentanyl
cardivin A
cardivin B
cardivin C
cardivin D
carfilzomib
carmustine  
carnosic acid  
caseamemebrol A
caseamemebrol B
caseanigrescen A
caseanigrescen B
caseanigrescen C
caseanigrescen D
cathestatin A
cathestatin B
caudatin-3-O-beta-cymaropyranoside
celastrol  
celebixanthone  +
cembra-2,7,11-triene-4,6-diol
cetirizine  
cetrorelix  +  
cetrorelix acetate
CGS-21680  
CH5424802
chlorophenoxyacetic acid  +  
chlorotrianisene  
chromenemonocarboxylic acid  +
cidofovir anhydrous  +  
cidofovir dihydrate
ciglitazone  
ciliatamide B
cinnamic acids  +  
cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylic acid  +
cis-heme d hydroxychlorin gamma-spirolactone  +
cisplatin  
cladoniamide G
cladribine  
clavaminic acid
clavulone II
clionastatin A
clionastatin B
clodronic acid  
clofarabine  
clofibric acid  +  
colossolactone V
colpol
concanamycin  +
cordycepin triphosphate
cordyol C
corynoline
costunolide  
crassumolide A
cratoxyarborenone A
cratoxyarborenone B
cratoxyarborenone C
cratoxyarborenone D
cratoxyarborenone E
cratoxyarborenone F
crizotinib
cudratricusxanthone A
curcumin  +  
cyanoacetic acid  +
cyclitol carboxylic acid  +  
cyclodepsipeptide 2
cyclohexadienecarboxylic acid  +
cyclohexanecarboxylic acid  +  
cyclohexenecarboxylic acid  +  
cyclohexylacetic acid
cyclophosphamide  +  
cyclophosphamide hydrate
cyclopropanecarboxylic acid  +  
cystodytin D  +
cystodytin E  +
cystodytin F
cystodytin G
cystodytin H
cystodytin I
cystothiazole A
cytarabine  
cytotrienin A
dacarbazine  
dactolisib
daidzein  +  
DAS734
dasatinib (anhydrous)  +  
dasatinib monohydrate
decatromicin A
decatromicin B
decursinol
deferasirox
dehydroabietic acid
dehydrocostus lactone  
delphinidin  +  
demethoxycurcumin  
deoxylimonoic acid
depudecin
desferrioxamine G
dethiobiotin  +
devazepide  
dexamethasone  +  
dexrazoxane hydrochloride
dianversicoside A
dianversicoside B
dianversicoside C
dianversicoside D
dianversicoside E
dianversicoside F
dianversicoside G
diarsenic trioxide  
dicerandrol A
dicerandrol B
dicerandrol C
dichloroacetic acid  +  
diclofenac  +  
diethylstilbestrol  +  
difluoroacetic acid
dihydro-5-azaorotic acid
dihydrocamalexic acid  +
dihydroclavaminic acid
dihydroorotic acid  +  
dimethylbutyric acid  +
dinochrome A
diosmetin  
dioxanecarboxylic acid  +
discadenine
dithiolanecarboxylic acid  +
diuvaretin
docetaxel anhydrous  +  
docetaxel trihydrate
doxazosin  +  
dromostanolone propionate
E-3810
E-3810 free base
elaeodendroside B
elaeodendroside F
elaeodendroside G
elaeodendroside T
elaeodendroside U
elaeodendroside W
elephantin
elongatol A
elongatol E
emarginatine B
emarginatine F
embelin  +  
emodin  +  
endocrocin
englerin A
enoxacin  
enrofloxacin
ent-kaur-16-en-19-oic acid
enzalutamide
epothilone A
epoxy monocarboxylic acid  +  
ergosterol peroxide  
eribulin
eribulin mesylate
erlotinib  +
erlotinib hydrochloride
erybraedin A
esculeoside A
esperamicin A1
estramustine  +  
estrone  +  
etidronic acid  
etodolac  +  
etoposide  
eugeniin
eupaheliangolide A
eupatilin  
euphornin L
eurysterol A
eurysterol A sulfonic acid
eurysterol B
eurysterol B sulfonic acid
everolimus  
exemestane  
F390B
F390C
F420-0
fatty acid  +  
FD-211
fenoprofen  
flavokawain B
fludarabine phosphate
fluoroacetic acid  +
fluoxymesterone  
flutamide  
formic acid  +  
formycin A  +
FR207944
FR901463
FR901464
FR901465
fradafiban  +
fulvestrant  
fumimycin
furoic acid  +  
fusidic acid  
fuzanin D
gabapentin enacarbil
gamma-amino-beta-hydroxybutyric acid  +
gamma-amino-gamma-cyanobutanoic acid  +
gamma-aminobutyric acid  +  
gaudichaudiic acid F
gaudichaudiic acid G
gaudichaudiic acid H
gaudichaudiic acid I
gedunin  
gefitinib  +  
geldanamycin  +  
gelomulide K
gelomulide M
gemcitabine  +
gemcitabine hydrochloride
gemifloxacin  +
genistein  +  
germacra-1(10),4,11(13)-trien-12-oic acid
geumonoid
gibberellin monocarboxylic acid  +
gilvusmycin
ginkgetin
glionitrin A
globostellatic acid A
globostellatic acid B
globostellatic acid C
globostellatic acid D
glochierioside A
glochierioside B
glomosporin
glucoheptonic acid
gnidilatimonoein
granaticin
grassypeptolide
GSK1059615
gummiferaoside A
gummiferaoside B
gummiferaoside C
guttiferone F
GW 7647
gypsogenin  +
hadacidin
HC toxin
hedychilactone D
heliangin
heptafluorobutyric anhydride
herbimycin  
hesperetin  +  
HEXYL 3-DEOXY-ALPHA-L-RIBO-HEXOPYRANOSIDE
hinokiflavone
histrelin  +
histrelin acetate
homovanillic acid  +  
horminone  +
hydroxy monocarboxylic acid  +  
hydroxytyrosol  +  
hyperxanthone C
hyperxanthone E
hypocrellin D
ibuprofen  +  
ifosfamide  
igalan
iloprost  
imatinib  +  
imatinib methanesulfonate
imidazolyl carboxylic acid  +  
imiquimod  
indole-1-acetic acid
indole-3-acetic acid  +  
indole-3-butyric acid  
indolecarboxylic acid  +  
ingenol mebutate
isariotin F
isochamuvaritin
isohomovanillic acid
isoiguesterin
isoorientin  +  
isopimaric acid
isotretinoin  
isowigtheone hydrate
ixabepilone
ixerochinolide
jaceosidin
jaspamide  
jaspamide B
jaspamide C
jaspamide D
jaspamide E
jaspamide F
jaspamide G
jaspamide H
jaspamide J
jaspamide K
jaspamide L
jaspamide M
jaspamide N
jaspamide O
jaspamide P
jerantinine A  +
jerantinine B
jerantinine C  +
jerantinine D
jerantinine E
jerantinine F
jineol
juglanin A
juglanin B
kadlongilactone A
kadlongilactone B
kaempferol 7-O-(2,3-di-E-p-coumaroyl-alpha-L-rhamnopyranoside)
kaempferol 7-O-(2-E-p-coumaroyl-alpha-L-rhamnopyranoside)
kalimantacin A
kalimantacin B
kalimantacin C
kansuiphorin A
kansuiphorin B
kidjoranin-3-O-alpha-diginopyranosyl-(1->4)-beta-cymaropyranoside
kidjoranin-3-O-beta-digitoxopyranoside
kievitone  +
kitastatin 1
knipholone  +
koshikamide A2
kweichowenol B
L-2,4-diaminobutyric acid  +
L-2-amino-4-(hydroxymethylphosphinoyl)butanoic acid
lancifodilactone F
lancilactone C
lansioside A
lapatinib
laurebiphenyl
laurinterol  +
leachianone A
leflunomide  
lenalidomide  
letrozole  
leucospiroside A
leuprolide  +  
leuprolide acetate
liriodenine
lobohedleolide
loganic acid
longicalycinin A
lovastatin  
lucanthone  +  
lucialdehyde B
lucialdehyde C
lucidenic acid N
lumiracoxib
luteolin  +  
luzonial A
luzonial B
luzonidial B
lychnostatin 1
lychnostatin 2
lyratol C
lyratol D
maackiaflavanone A
maackiaflavanone B
maackiapterocarpan A
macaflavanone G
macaranone A
macluraxanthone B
macluraxanthone C
madecassic acid  +  
maleamic acid
manassantin A
manassantin B
manzamine A  +
maoecrystal Z
marimastat
marineosin A
marineosin B
martefragin A
masitinib
maslinic acid  +
maytenfolone A
mechlorethamine hydrochloride
megathyrin A
megestrol  +  
melagatran  +  
melophlin P
melophlin Q
melophlin R
melophlin S
melphalan  
mercaptopurine  +  
metachromin S
metachromin T
methacrylic acid  +
methionine  +  
metholone  +
methotrexate  
methoxsalen  +  
methyl (indol-3-yl)acetate
methyl 5-aminolevulinate  +
methyl 5-aminolevulinate hydrochloride
methyl red
methylbutyric acid  +  
methylselenol
methyltestosterone  
metrizoic acid
miboplatin
michaolide A
michaolide B
michaolide C
michaolide D
michaolide E
michaolide F
michaolide G
michaolide H
michaolide I
michaolide J
michaolide K
microclavatin
midostaurin  
migrastatin
minheryin G
minquartynoic acid
mithramycin  
mitoxantrone  +  
mitoxantrone dihydrochloride
monensin A  
monodictyochromone A
monodictyochromone B
monodictyphenone
monodictysin B
monodictysin C
montelukast  +  
morellic acid  +
morellin  +
moromycin A
moromycin B
motualevic acid A
motualevic acid F
MTIC
muramic acid  +
mycophenolic acid  +  
myo-inositol hexakisphosphate  
myriaporone 3
myricetin  +  
myristoleic acid  +
myrsinoic acid A
myrsinoic acid B
myrsinoic acid C
myrsinoic acid F
N(6)-(Delta(2)-isopentenyl)adenosine  +
N-(3,4-dichlorophenyl)malonamic acid
N-(3-carboxypropanoyl)-N-hydroxyputrescine
N-(trans-4'-nitro-4-stilbenyl)-N-methyl-5-aminopentanoic acid
N-acetyl-alpha-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine
N-acetyl-D-galactosaminic acid
N-acetylcitrulline  +
N-benzoyl-4-methoxyanthranilic acid
N-desmethylenzalutamide
N-ethyl-5'-carboxamidoadenosine  
N-formylmaleamic acid
N-hydroxyguanidine
nalidixic acid  
naphthoic acid  +  
naphthylacetic acid  +
naphthyloxyacetic acid  +
naproxen  
naringin  
nelarabine
neobavaisoflavone  +
neocarzinostatin chromophore
neohesperidin
neopentalenolactone D
neratinib
neurosporaxanthin
nicotinamide  +  
nidulalin A
nigranoic acid
nilotinib
nilutamide  
nitensidine E
NK154183A
NK154183B
nocardicin E
nocardicin F
nogalamycin
norathyriol  
Nutlin  +
O-(2-aminoethyl)-L-serine
O-benzoylecgonine 5-carboxypentyl ester
obochalcolactone
obolactone
obyanamide
ochrocarpin A
ochrocarpin B
ochrocarpin C
ochrocarpin D
ochrocarpin E
ochrocarpin F
ochrocarpin G
ochrocarpinone A
ochrocarpinone B
oleanolic acid 3-O-[O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->3)-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranoside]
olivetolic acid  +
omacetaxine mepesuccinate  
orbiculin A
orbiculin E
orbiculin F
orbiculin G  +
oroxylin A  +  
ospemifene
oxaliplatin  +  
oxazolinecarboxylic acid  +
oxo monocarboxylic acid  +  
oxypeucedanin hydrate acetonide
pacific blue  +
paclitaxel  +  
palau'amide
pasireotide
pasireotide aspartate
pazopanib
pazopanib hydrochloride
PD173074
pemetrexed  
pemetrexed disodium  +
pemetrexed disodium heptahydrate
penicillenic acid  +
pentalenolactone
pentalenolactone D
pentalenolactone E
pentalenolactone F
perfluorobutyric acid  
perillic acid  +  
phaseic acid  +
phenazine-1-carboxylic acid
phenethyl isothiocyanate  
phenoxyacetic acid  +  
phenylacetic acid  +  
phenylacetylglycine  +
phomacin A
phomacin B
phomacin C
phosphoenolpyruvic acid
phosphonoacetic acid
piperazinecarboxylic acid  +
piperidinemonocarboxylic acid  +  
PK-11195
pleosporone
plumbagin  
PM-94128
PNCMB
podophyllotoxin  +  
polyketomycin
pomalidomide
porfimer
porfimer sodium
pralatrexate
pre-putrebactin
prednisolone  +  
prednisone  +  
procarbazine  
procarbazine hydrochloride
proclavaminic acid  +
procyanidin B4
progesterone 3-O-(carboxymethyl)oxime  +
protobassic acid  +
pteroic acids  +  
pterostilbene  
purinemonocarboxylic acid  +
puromycin  +  
pyochelin  +
pyranmonocarboxylic acid  +
pyrazinecarboxylic acid  +  
pyridinemonocarboxylic acid  +  
pyrimidinemonocarboxylic acid  +  
pyrrolecarboxylic acid  +
pyrrolidinemonocarboxylic acid  +
quassimarin
quercetin  +  
quercetin 3,4'-dimethyl ether
quinolinemonocarboxylic acid  +  
rediocide G
regorafenib  +
regorafenib hydrate
respirantin
retaspimycin
retaspimycin hydrochloride
retinoic acid  +  
reversine
rhinacanthin C
rhizoxin
robustaflavone  +
robustaflavone 7,4',7''-trimethyl ether
rocaglamide
romidepsin  
rostratin A
rostratin B
rostratin C
rostratin D
rotenone  
rotundifolioside A
rotundifolioside H
rotundifolioside I
rotundifolioside J
rubraxanthone
ruxolitinib  +
ruxolitinib phosphate
S-(1,2-dichlorovinyl)-L-cysteine  +  
S-ethylhomocysteine  +  
salvileucalin B
salzmannianoside A
samaderine B
samaderine C
samaderine E
samaderine X
samaderine Y
samaderine Z
saturated monocarboxylic acid
sch 210972  +
schiprolactone A
schizolaenone A
schizolaenone B
schweinfurthin G
schweinfurthin H
scutellarin  
scytalidamide A
scytalidamide B
Se-methyl-L-selenocysteine  +  
Se-methylselenocysteine  +  
silibinin  
sirolimus  +  
sirtinol
sodium 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate
sodium butyrate
sodium globostellatate B
sodium globostellatate A
sodium globostellatate C
sodium globostellatate D
sodium stibogluconate
sorafenib  +
SPF-32629B
stipitatic acid
streptokordin
streptonigrin  
streptozocin  
SU5402
sulindac  +  
sulindac sulfone
sunitinib  +
suprofen  
surfactin  
surfactin A  +  
surfactin B  +  
surfactin C  +  
surfactin D  +  
surugapyrrole A
surugapyrrole B
suxibuzone  
swainsonine
tabersonine  +
tamibarotene  
tamoxifen  +  
tamsulosin  +  
tanespimycin
tangeretin  
tartrazine acid
tazarotenic acid  +  
temozolomide  
tephrosin  +  
terazosin  +  
terrequinone A
tetrahydrofurancarboxylic acid  +
theogallin
thiadiazolecarboxylic acid  +
thiazepinemonocarboxylic acid  +
thiazinemonocarboxylic acid  +
thiazolidinemonocarboxylic acid  +
thiophenecarboxylic acid  +
thiostrepton
tiaprofenic acid  
tioguanine  
TMC-135A
TMC-135B
TMC-1A
TMC-1B
TMC-1C
TMC-1D
TMC-52A
TMC-52B
TMC-52C
TMC-52D
TMC-86A
TMC-86B
TMC-95A
TMC-95B
TMC-95C
TMC-95D
TMC-96
tolmetin  
topopyrone A
topopyrone B
topopyrone C
topopyrone D
topotecan  
toremifene  
tranexamic acid  
trans-2-hydroxyisoxypropyl-3-hydroxy-7-isopentene-2,3-dihydrobenzofuran-5-carboxylic acid
trans-heme d hydroxychlorin gamma-spirolactone
tricetin  +  
trichloroacetic acid  
trichodermin
trierixin
trilostane
triptorelin  
troglitazone  
tubelactomicin A
tubercidin  +
ubiquinol-8
UCS1025 A
uracil-6-ylacetic acid
urdamycin A
uridin-5-yloxyacetic acid
uronic acid  +  
valerenic acid
vandetanib  +
vedelianin  +
vemurafenib
verteporfin  
vindesine  +  
vindesine sulfate
vinorelbine  +  
vinorelbine D-tartrate
vinorelbine L-tartrate
vismodegib
vitexin  +
wedelolactone  
wogonin  +  
WZ4002
XL147
XL765