(+)-aplysinillin
(+)-dexrazoxane  +
(+)-dihydromyricetin  
(+)-lyoniresinol  +
(+)-syringaresinol  +
(-)-anisomycin  
(-)-annonaine  +
(-)-beta-elemene
(-)-demecolcine  
(-)-epigallocatechin 3-gallate  
(-)-marinopyrrole A
(11R,16S)-misoprostol  +  
(1R)-2-[(cyanomethyl)amino]-1-(\{[2-(difluoromethoxy)benzyl]sulfonyl\}methyl)-2-oxoethyl morpholine-4-carboxylate
(1S)-2-[(2S,5R)-2-(aminomethyl)-5-prop-1-yn-1-ylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine
(2->6)-beta-D-fructan
(22E,24R)-5alpha,8alpha-epidioxyergosta-6,9,22-triene-3beta-ol-3-O-beta-D-glucopyranoside
(2E)-2-(methoxycarbonylmethyl)but-2-enedioic acid
(2E)-3-(methoxycarbonyl)pent-2-enedioic acid
(2E,4R,5S,6E)-7-\{2'-[(1S,2E,4E)-1,6-dimethylhepta-2,4-dien-1-yl]-2,4'-bi-1,3-thiazol-4-yl\}-3,5-dimethoxy-4-methylhepta-2,6-dienamide
(2R)-2-[3-isobutyl-2,5-dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1-yl]-N-methyl-3-(2-naphthyl)propanamide
(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
(2R,4S)-5,5-dimethyl-2-\{(1R)-2-oxo-1-[(phenylacetyl)amino]ethyl\}-1,3-thiazolidine-4-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)-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)-N-((1S,2R)-2-hydroxy-1-(4-hydroxybenzyl)-3-\{[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino\}propyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
(2S)-N-[(1S,3S,4S)-1-benzyl-4-\{[(2,6-dimethylphenoxy)acetyl]amino\}-3-hydroxy-5-phenylpentyl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide
(2S)-N-[(3Z)-5-cyclopropyl-3H-pyrazol-3-ylidene]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
(2S)-N-\{(1R,2R)-1-benzyl-2-hydroxy-3-[(\{4-[(E)-(hydroxyimino)methyl]phenyl\}sulfonyl)(2-methylpropyl)amino]propyl\}-3-methyl-2-\{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl\}butanamide
(2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinic acid
(2S,4S,5R)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid
(2S,4S,5R)-2-isobutyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid
(2S,4S,5S)-5-[((2S)-2-\{(3R)-3-benzyl-4-[(4-methylpiperazin-1-yl)carbonyl]-2-oxopiperazin-1-yl\}hexanoyl)amino]-N-butyl-6-cyclohexyl-4-hydroxy-2-isopropylhexanamide
(2Z,3Z)-bis\{amino[(2-aminophenyl)sulfanyl]methylidene\}butanedinitrile
(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
(3E)-N-(2,6-diethylphenyl)-3-\{[4-(4-methylpiperazin-1-yl)benzoyl]imino\}pyrrolo[3,4-c]pyrazole-5(3H)-carboxamide
(3R,6R,8aS)-6-[(benzylsulfonyl)amino]-N-(3-carbamimidamidopropyl)-5-oxohexahydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
(3S,11aS)-3-(4-hydroxybenzyl)-2-[(1S)-1-\{[2-(4-hydroxyphenyl)ethyl]carbamoyl\}butyl]-4-oxo-3,6,11,11a-tetrahydro-4H-pyrazino[1,2-b]isoquinolin-2-ium-1-olate
(4S)-4-\{[(5-amino-6-oxo-2-thiophen-2-ylpyrimidin-1(6H)-yl)acetyl]amino\}-2,2-difluoro-5-methyl-N-(2-morpholin-4-ylethyl)-3-oxohexanamide
(5-fluoro-2-\{[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]carbamoyl\}phenoxy)acetic acid
(5S)-2-\{2-[(4-bromophenyl)sulfonyl]ethyl\}-N-[(trans-4-carbamimidoylcyclohexyl)methyl]-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide
(5S)-3-(3-acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-\{isobutyl[(4-methoxyphenyl)sulfonyl]amino\}propyl]-2-oxo-1,3-oxazolidine-5-carboxamide
(5S)-3-(4-acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-\{isobutyl[(4-methoxyphenyl)sulfonyl]amino\}propyl]-2-oxo-1,3-oxazolidine-5-carboxamide
(5S)-5-(carboxymethyl)-L-proline
(5S)-N-[(trans-4-carbamimidoylcyclohexyl)methyl]-2-(2,2-diphenylethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide
(5S)-N-[trans-4-(2-amino-1H-imidazol-5-yl)cyclohexyl]-2-(2,2-diphenylethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide
(6S)-5-formyltetrahydrofolic acid
(6S,8aS)-2-(benzylsulfonyl)-N-\{[1-(N'-hydroxycarbamimidoyl)piperidin-4-yl]methyl\}-4-oxooctahydropyrrolo[1,2-a]pyrazine-6-carboxamide
(\{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino\}methyl)boronic acid
(E)-3-methylglutaconic acid  +
(R)-mandelamide
1,3-selenazole-4-carboxamide adenine beta-methylenedinucleotide
1,3-selenazole-4-carboxamide adenine dinucleotide
1,3-thiazolecarboxamide  +
1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone
1-\{4-[(2-hydroxyethyl)carbamoyl]benzyl\}-1-methylpiperidinium  +
1-deoxysphinganine
1-methyltryptophan
1-O-(alpha-D-galactopyranosyl)-N-hexacosanoylphytosphingosine  
1-ribosylimidazolecarboxamide  +  
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-O-deacetyl-16-epi-scalarolbutenolide
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
2,5-bis(5-carboxy-3-ethyl-4-methylpyrrol-2-ylmethyl)-3,4-diethylpyrrole
2,5-diphenylfuran-3,4-dicarboxylic acid
2-((2-hydroxyethyl)sulfanyl)-N-methylpropionamide  +
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-(acetamidomethylidene)succinic acid
2-[(2,2-difluoro-2-pyridinium-2-ylethyl)amino]-4-(2-\{[(3-fluoro-4-methylpyridin-2-yl)methyl]amino\}-2-oxoethyl)-5-methyl-3-oxo-3,4-dihydropyrazin-1-ium
2-amino-2-deoxyisochorismic acid
2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid
2-aminopurine  
2-benzylsuccinic acid  +
2-fluoroadenine  +
2-formylglutaric acid
2-hydroxy-5-methyl-cis,cis-muconic acid
2-hydroxydicarboxylic acid  +  
2-hydroxymethylglutaric acid  +
2-isopropylmaleic acid
2-isopropylmalic acid  +
2-methoxy-17beta-estradiol  +  
2-methylene-3-methylsuccinic acid
2-methylideneglutaric acid
2-propylmalic acid  +
2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid  +
2-succinylbenzoic 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  
3,5-di-O-caffeoyl quinic acid  +
3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide
3,5-dihydroxy-2-(1'-oxo-3'-hexadecenyl)-2-cyclohexene-1-one
3-(1-carboxyvinyloxy)anthranilic acid
3-(4-carboxybutanamido)-1-\{4-[(2-hydroxyethyl)carbamoyl]benzyl\}-1-methylpiperidinium
3-(\{[5-(2-piperidin-4-ylethyl)thieno[2,3-b]thiophen-2-yl]carbonyl\}amino)-N-(pyridin-3-ylsulfonyl)-D-alanine
3-(\{cis-4-[(2-\{[2-(acetylamino)ethyl]disulfanyl\}ethyl)carbamoyl]cyclohexyl\}carbamoyl)pyrazine-2-carboxylic acid
3-(acetamidomethylidene)-2-(hydroxymethyl)succinic acid
3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
3-acetamidopropanal
3-acetamino-6-isobutyl-2,5-dioxopiperazine
3-beta-O-(E)-coumaroyl-D:C-friedooleana-7,9(11)-dien-29-oic acid
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenyl-1H-indole-6-carboxylic acid
3-epi-heliangin
3-hydroxy-3-methylglutaric acid  +
3-hydroxysuberic acid
3-methyl-cis,cis-muconic acid
3-methylmalic acid  +
3-O-ethylentacapone
3-O-methylentacapone
3-oxo-N-[(3S)-2-oxopyrrolidin-3-yl]dodecanamide
3-propylmalic 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-(2-hydroxy-5-methylphenylazo)acetanilide
4-(4-\{(2S,5S)-5-[2-(dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl\}butyl)benzoic acid
4-\{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino\}benzoic acid  
4-\{[(E)-amino(imino)methyl]amino\}-N-(\{(2S)-1-[N-(2-naphthylsulfonyl)-L-seryl]pyrrolidin-2-yl\}methyl)butanamide
4-acetamidobutanal
4-amino-1-methyl-3-propylpyrazole-5-carboxamide
4-amino-4-deoxychorismic acid
4-aminoantipyrine
4-aminofolic acid
4-carboxy-2-hydroxymuconate semialdehyde hemiacetal
4-hydroperoxycyclophosphamide  
4-hydroxyphenyl retinamide  
4-hydroxyphenylacetylglycine
4-methoxymagnaldehyde B
4-methyl-5-pentylbenzene-1,3-diol
4-methylaeruginoic acid
4-phenylbutyric acid  
4-thiouridine
4E,15Z-bilirubin IXa
5'-O-[(S)-\{[6-(\{[6-(\{6-[(6-carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl\}carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl]carbonyl\}amino)hexyl]oxy\}(hydroxy)phosphoryl]thymidine
5'-O-\{(S)-hydroxy[(3-\{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]amino\}propanoyl)oxy]phosphoryl\}cytidine
5,10,15,20-tetrakis(1-methylpyridinium-4-yl)porphyrin  
5,6,7,8-tetrahydropteridine
5-(6-aminohexanamido)isatin
5-aminoimidazole-4-carboxamide
5-aminolevulinic acid  +  
5-bromo-2'-deoxyuridine  
5-bromo-8-methoxy-1-methyl-beta-carboline
5-cyano-N-[5-(hydroxymethyl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
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-iodo-2'-deoxyuridine  
5-iodouracil
5-L-glutamyl amino acid
5-O-ethyl embelin
5-O-methyl embelin
5alpha,8alpha-epidioxycholest-6-en-3beta-ol
5alpha,8alpha-epidioxysterol
6,7-dihydropteridines  +
6,7-dimethyl-8-(1-D-ribityl)lumazine
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-amino-4-hydroxy-2-oxo-3,4-dihydropyrimidin-1(2H)-yl]-3-[3-amino-5-(N-methylguanidino)pentanoylamino]-3,6-dihydro-2H-pyran-2-carboxylic acid
6-aminopenicilloyl-benzylamine
6-aminopenicilloyl-butylamine
6-azauracil
6-azauridine
6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide  +
6-hydroxypaclitaxel  
6-methoxyspirotryprostatin B
6-methyl-7-oxo-8-(1-D-ribityl)lumazine (2-hydroxy tautomer)
6-methyl-7-oxo-8-(1-D-ribityl)lumazine (2-oxo tautomer)
6-propyl-2-thiouracil  
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-(diethylamino)-N-[(Z)-2-(2,5-dioxopyrrolidin-1-yl)vinyl]-2-oxo-2H-chromene-3-carboxamide
7-amino-1-methyl-3-[2-methyl-5-(\{[3-(trifluoromethyl)phenyl]carbonyl\}amino)phenyl]-2-oxo-2,3-dihydropyrimido[4,5-d]pyrimidin-1-ium
7-hydroxy-6-methyl-8-(1-D-ribityl)lumazine
7-methoxydeoxymorellin
7-oxo-3,8,9-trihydroxy staurosporine
7-oxo-8,9-dihydroxy-4'-N-demethyl staurosporine
7alpha-hydroperoxy manool
8,8a-epoxymorellic acid
8-azaguanine  
8-hydroxy-2-(1'-hydroxyethyl)naphtho-[2,3-b]-furan-4,9-dione
8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid
9(11)-dehydroaxinysterol
9-amino-N-(2-morpholin-4-ylethyl)acridine-4-carboxamide
9-beta-D-arabinofuranosylguanine  +
9-cis-retinoic acid  +  
9-deacetoxyfumigaclavine C
9-hydroxy hedychenone
9-hydroxycanthin-6-one
9-methoxycanthin-6-one
abarelix
abiraterone  +
abiraterone acetate
abyssinone A
abyssinone C
abyssinone D
acetamides  +  
acetazolamide  +  
acetoacetamide
acetochlor  
acetylagmatine
acronycine
aculeatol E
acumitin
acyclovir  
adapalene  
adxanthromycin A
adxanthromycin B
afatinib
afimoxifene  
agathisflavone
ageladine A
agigenin  +
aklavinone
alachlor  
albizoside A
albizoside B
albizoside C
aldaric acid  +  
alfuzosin  +  
alizarin complexone
all-trans-retinoic acid  +  
allanxanthone C
allopurinol  
alpha,beta-unsaturated monocarboxylic acid amide  +  
alpha,omega-dicarboxylic acid  +  
alvaradoin E
alvaradoin F
alvaradoin G
alvaradoin H
alvaradoin I
alvaradoin J
alvaradoin K
alvaradoin L
alvaradoin M
alvaradoin N
amidobenzoic acid  +  
amidopiperidine  +
amino dicarboxylic acid  +
aminoglutethimide  +  
amomol A
amoxicilloyl-benzylamine
amoxicilloyl-butylamine
ampicilloyl-butylamine
anastrozole  
andrographolide  
ansamitocin P3
antipruritic drug  +  
antipsoriatic  +  
antiseborrheic  +  
antroquinonol
aphidicolin  
apigenin  +  
aplysinoplide A
aplysinoplide B
aplysinoplide C
apocynin  
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
arenecarboxamide  +  
artocarpin
artochamin C
artoindonesianin E1
artoindonesianin P
aryl(methyl)malonic acid  +
asperfuranone
aspergillide A
aspergillide B
aspergillide C
asprellic acid A
asprellic acid C
atenolol  +  
ATTO 565  +
ATTO 565 meta-isomer(1+)  +
ATTO 565 para-isomer(1+)  +
ATTO 590  +
ATTO 590 meta-isomer(1+)  +
ATTO 590 para-isomer(1+)  +
auranofin  
avenic acid B
axitinib
azathioprine  
azelaic acid  
BE-54238A
BE-54238B
belinostat
benzenedicarboxylic acid  +  
benzquinamide  +
benzylpenicilloyl-benzylamine
benzylpenicilloyl-butylamine
benzylpenicilloyl-cysteine
beta-elemene  +
beta-lapachone  
beta-thujaplicin
betalamic acid
betamethasone  +  
betamethasone phosphate
betulin  +  
betulinic acid  +  
bexarotene
bezafibrate  
BF 4
BF 5
BF 6
BGJ-398
BGT226
BGT226 free base
bicalutamide  
bielschowskysin
bilirubin  
biotin amide
bistratamide E
bistratamide F
bistratamide G
bistratamide H
bistratamide I
bistratamide J
BKM120
bleomycin A2  
bleomycin B2
BML-210
bortezomib
bosutinib  +
bosutinib hydrate
bowdichione
brasilicardin A
brasilinolide A
brasiliquinone A
brasiliquinone B
brasiliquinone C
brasixanthone B
brasixanthone C
brasixanthone D
brevipolide A
brevipolide B
bromobutide
bromophycolide A
bufalin  
busulfan  
butein  
butyl (2S,3S)-3-(trans-4-aminocyclohexyl)-3-(\{[2-(benzylsulfonyl)-4-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]carbonyl\}amino)-2-hydroxypropanoate
C4-dicarboxylic acid  +  
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  
candoxatrilat  +  
canertinib
capecitabine  
capilliposide B
carboplatin  
carboprost
carboprost tromethamine
carboxy monocarboxylic acid  +
cardivin A
cardivin B
cardivin C
cardivin D
carfilzomib
carmustine  
carnosic acid  
caseamemebrol A
caseamemebrol B
caseanigrescen A
caseanigrescen B
caseanigrescen C
caseanigrescen D
caudatin-3-O-beta-cymaropyranoside
ceftibuten  +  
celastrol  
celebixanthone  +
cembra-2,7,11-triene-4,6-diol
cerulenin  
cetrorelix  +  
cetrorelix acetate
CH5424802
chloroquine  +  
chlorotrianisene  
cidofovir anhydrous  +  
cidofovir dihydrate
ciglitazone  
ciliatamide B
cimifoetiside A
cimifoetiside B
cinchocaine  +  
cinnamamides  +
ciprofloxacin  +  
cisplatin  
citraconic acid  
cladoniamide G
cladribine  
clavulone II
clionastatin A
clionastatin B
clodronic acid  
clofarabine  
clofibric acid  +  
colpol
cordycepin  +  
cordycepin triphosphate
cordyol C
cortisol 17-butyrate
corynoline
costunolide  
crassumolide A
cratoxyarborenone A
cratoxyarborenone B
cratoxyarborenone C
cratoxyarborenone D
cratoxyarborenone E
cratoxyarborenone F
crizotinib
crocetin  +  
cromoglycic acid
cudratricusxanthone A
curcumin  +  
cyclobutanedicarboxylic acid  +
cyclodepsipeptide 2
cyclohexadienedicarboxylic acid  +
cyclophosphamide  +  
cyclophosphamide hydrate
cyclosporin A  
cystodytin D  +
cystodytin E  +
cystodytin F
cystodytin G
cystodytin H
cystodytin I
cystothiazole A
cytarabine  
cytochalasin D  
cytotrienin A
dacarbazine  
dactolisib
daidzein  +  
dasatinib (anhydrous)  +  
dasatinib monohydrate
deca-2,4,6,8-tetraenedioic acid  +  
decursinol
dehydrocostus lactone  
delphinidin  +  
demethoxycurcumin  
deoxylimonoic acid D-ring-lactone
devazepide  
dexamethasone  +  
dexrazoxane hydrochloride
dianversicoside A
dianversicoside B
dianversicoside C
dianversicoside D
dianversicoside E
dianversicoside F
dianversicoside G
diarsenic trioxide  
dibenzo[b,d]furan-4,6-dicarboxylic acid
dicerandrol A
dicerandrol B
dicerandrol C
didanosine  
diethylstilbestrol  +  
dihydrodipicolinic acid  +
dihydrokainic acid
dihydrolipoamide  +  
dihydroxypteridine  +
dimethyl sulfate  
dimethylmaleic acid
dinochrome A
diosmetin  
diphenic acid
disopyramide  +  
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  +  
enalaprilat (anhydrous)  +  
englerin A
enol-oxaloacetic acid
enoxacin  
enrofloxacin
ent-kaur-16-en-19-oic acid
entacapone  +
enzalutamide
epothilone A
ergosterol peroxide  
eribulin
eribulin mesylate
erlotinib  +
erlotinib hydrochloride
erybraedin A
erythro-4-hydroxy-L-glutamic acid
esculeoside A
esperamicin A1
estramustine  +  
estrone  +  
ethyl 3-phenyl-2-\{[4-(toluene-4-sulfonyl)thiomorpholine-3-carbonyl]amino\}propionate
ethylmalonic acid  +  
etidronic acid  
etoposide  
eugeniin
eupaheliangolide A
eupatilin  
euphornin L
eurysterol A
eurysterol A sulfonic acid
eurysterol B
eurysterol B sulfonic acid
everolimus  
exemestane  
ezetimibe  
F390B
F390C
fatty amide  +  
FD-211
fingolimod  
fingolimod hydrochloride
flavokawain B
fludarabine phosphate
flunisolide  
fluoxymesterone  
fluprostenol  +  
flutamide  
fluticasone propionate
formamide  +  
formamidopyrimidine  +  
formycin A  +
FR901463
FR901464
FR901465
fulvestrant  
fuzanin D
gaudichaudiic acid F
gaudichaudiic acid G
gaudichaudiic acid H
gaudichaudiic acid I
gedunin  
gefitinib  +  
geldanamycin  +  
gelomulide K
gelomulide M
gemcitabine  +
gemcitabine hydrochloride
genistein  +  
gibberellin A12  +
gibberellin A14  +
gibberellin A15
gibberellin A19
gibberellin A24
gibberellin A36
gibberellin A44 diacid
gibberellin A53  +
gilvusmycin
ginkgetin
glionitrin A
gliotoxin  
globostellatic acid A
globostellatic acid B
globostellatic acid C
globostellatic acid D
glochierioside A
glochierioside B
gnidilatimonoein
gout suppressant  +  
granaticin
grassypeptolide
GSK1059615
gummiferaoside A
gummiferaoside B
gummiferaoside C
hadacidin
HC toxin
hedychilactone D
heliangin
hematoporphyrin
heme d cis-diol  +
heme d trans-diol
heptenedioic acid  +
heptylmalonic acid
hesperetin  +  
hexadienedioic acid  +
hexenedioic acid  +
hinokiflavone
histrelin  +
histrelin acetate
horminone  +
hydrocortamate  +
hydroxymalonic acid
hydroxytyrosol  +  
hydroxyzine  +  
hyperxanthone C
hyperxanthone E
hypocrellin D
IC202A
IC202B
IC202C
icosatetraenedioic acid  +
ifosfamide  
igalan
imatinib  +  
imatinib methanesulfonate
imiquimod  
indolecarboxamide  +  
ingenol mebutate
iron methylchlorin
isariotin F
isochamuvaritin
isoglutamic acid
isoiguesterin
isonocardicin A
isoorientin  +  
isotretinoin  
isowigtheone hydrate
itaconic acid
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)
kainic acid  +  
kansuiphorin A
kansuiphorin B
keratolytic drug  +  
kidjoranin-3-O-alpha-diginopyranosyl-(1->4)-beta-cymaropyranoside
kidjoranin-3-O-beta-digitoxopyranoside
kievitone  +
kitastatin 1
knipholone  +
koshikamide A2
kweichowenol B
L-alpha-glutamyl group
L-ethionine  +  
L-gamma-glutamyl group  +
L-gamma-glutamyl-L-cysteine  
L-glutamic acid residue
L-glutamo group
L-glutamoyl group
lapatinib
laurebiphenyl
leachianone A
leflunomide  
lenalidomide  
letrozole  
leucospiroside A
leuprolide  +  
leuprolide acetate
levofloxacin
lidocaine  +  
limonoic acid
lincomycin
linkable pelitinib analogue
linkable sunitinib analogue
lipoamide  
liriodenine
lisuride  +  
longicalycinin A
lovastatin  
lucanthone  +  
lucensimycin E
lucialdehyde B
lucialdehyde C
lucidenic acid N
luteolin  +  
luteolin-7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]
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
madecassoside  
manassantin A
manassantin B
manzamine A  +
maoecrystal Z
marimastat
marineosin A
marineosin B
masitinib
maslinic acid  +
maytenfolone A
mechlorethamine hydrochloride
megathyrin A
megestrol  +  
melophlin P
melophlin Q
melophlin R
melophlin S
melphalan  
mercaptopurine  +  
mesaconic acid  +
metachromin S
metachromin T
metamizole
metamizole sodium  
metholone  +
methotrexate disodium
methoxsalen  +  
methyl (indol-3-yl)acetate
methyl 5-aminolevulinate  +
methyl 5-aminolevulinate hydrochloride
methylselenol
methyltestosterone  
methysergide  
metyrapone  
miboplatin
michaolide A
michaolide B
michaolide C
michaolide D
michaolide E
michaolide F
michaolide G
michaolide H
michaolide I
michaolide J
michaolide K
microcin B17
microclavatin
midostaurin  
mifepristone  
migrastatin
minheryin G
minquartynoic acid
misoprostol  
mithramycin  
mitoxantrone  +  
mitoxantrone dihydrochloride
mometasone  +  
monobenzone  
monocarboxylic hidden amide  +
monodictyochromone A
monodictyochromone B
monodictysin B
monodictysin C
morellic acid  +
morellin  +
moromycin A
moromycin B
MTIC
mycophenolate mofetil  
mycophenolate sodium
mycophenolic acid  +  
myo-inositol hexakisphosphate  
myriaporone 3
myricetin  +  
myriocin  
myrsinoic acid A
myxothiazol  
N(6)-(3,5-dioxo-1,2-diphenylpyrazolidin-4-ylacetyl)-6-aminohexanoic acid
N(6)-(Delta(2)-isopentenyl)adenosine  +
N(6)-lactobionoylhexane-1,6-diamine
N,N-diethyl-3-hydroxybut-2-enamide  +  
N,N-diethyl-m-toluamide  
N-(2-phosphonoethyl)cholamide
N-(3-acetamidopropyl)-4-aminobutanal
N-(4-aminobenzoyl)-L-glutamic acid
N-(6-aminohexanoyl)-6-aminohexanoic acid
N-(\{4'-[(1-benzofuran-2-ylcarbonyl)amino]biphenyl-4-yl\}sulfonyl)-L-valine
N-[(1S)-1-(1,3-benzothiazol-2-ylcarbonyl)-4-carbamimidamidobutyl]cyclopentanecarboxamide
N-[(1S)-1-\{[(3S,4S,7R)-3-hydroxy-7-methyl-1-(pyridin-2-ylsulfonyl)-2,3,4,7-tetrahydro-1H-azepin-4-yl]carbamoyl\}-3-methylbutyl]-1-benzofuran-2-carboxamide
N-[(1S)-3-methyl-1-(\{(4S)-3-oxo-1-[(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl\}carbamoyl)butyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide
N-[(1S)-3-methyl-1-\{[(4S)-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-yl]carbamoyl\}butyl]-1-benzofuran-2-carboxamide
N-[(2R,3S)-1-((2S)-2-\{[(cyclopentylamino)carbonyl]amino\}-3-methylbutanoyl)-2-(1-formylcyclobutan-1-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
N-[(5R)-5-(3,4-dichlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]thiophene-2-sulfonamide
N-[1-(aminomethyl)cyclopropyl]-3-(morpholin-4-ylsulfonyl)-N(2)-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alaninamide
N-[2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl]indole-3-carboxamide
N-[4,5-bis(4-hydroxyphenyl)-1,3-thiazol-2-yl]hexanamide
N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]acetamide
N-[6-(acetylamino)hexyl]-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxamide
N-\{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethyl\}acetamide
N-\{3-[(4-\{[3-(trifluoromethyl)phenyl]amino\}pyrimidin-2-yl)amino]phenyl\}cyclopropanecarboxamide
N-\{4-[4-(4-methylpiperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)pyrimidin-2-ylsulfanyl]phenyl\}cyclopropanecarboxamide
N-\{[(3S,5S)-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]methyl\}-1,3-thiazole-4-carboxamide
N-acetyl-L-glutamic acid
N-acetylneuraminamide  +
N-acyl-L-glutamic acid  +
N-acylphosphatidylethanolamine
N-amidino-L-aspartic acid
N-benzyl-2-(2,6-dimethylphenoxy)-N-[((3R,4S)-4-\{[isobutyl(phenylsulfonyl)amino]methyl\}pyrrolidin-3-yl)methyl]acetamide
N-carboxy-beta-alanine
N-desmethylenzalutamide
N-ethyl-5'-carboxamidoadenosine  
N-formylisoglutamic acid
N-hydroxyguanidine
N-methyl-2-sulfanylacetamide  +  
N-methyl-L-glutamic acid
nalidixic acid  
naphthalene-2,6-dicarboxylic acid
naringin  
nedocromil  
nelarabine
neobavaisoflavone  +
neocarzinostatin chromophore
neohesperidin
neosartoricin
neratinib
nidulalin A
nigranoic acid
nilotinib
nilutamide  
nitensidine E
NK154183A
NK154183B
nocardicin A
nogalamycin
non-steroidal anti-inflammatory drug  +  
nonadienedioic acid  +
nonatrienedicarboxylic acid  +
norathyriol  
norfloxacin  
novobiocin  
Nutlin  +
O-(2-aminoethyl)-L-serine
O-propanoyl-L-carnitine
O-propanoylcarnitine  +
obochalcolactone
obolactone
obyanamide
ochrocarpin A
ochrocarpin B
ochrocarpin C
ochrocarpin D
ochrocarpin E
ochrocarpin F
ochrocarpin G
ochrocarpinone A
ochrocarpinone B
octenedioic acid  +
ofloxacin  +  
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]
olsalazine
omacetaxine mepesuccinate  
orbiculin A
orbiculin E
orbiculin F
orbiculin G  +
oroxylin A  +  
ospemifene
oxaliplatin  +  
oxo dicarboxylic acid  +  
oxybenzone  
oxypeucedanin hydrate acetonide
paclitaxel  +  
palau'amide
pamoic acid  
pantothenol
pasireotide
pasireotide aspartate
pazopanib
pazopanib hydrochloride
PD173074
pefloxacin  +
pelitinib  +
pemetrexed  
pemetrexed disodium  +
pemetrexed disodium heptahydrate
penillic acid  +
pentanamide  +
pentenedioic acid  +
perillic acid  +  
phenethyl isothiocyanate  
phenylacetylglycine  +
phenylbutazone  
phomacin A
phomacin B
phomacin C
piperazinecarboxamide  +  
piperidinecarboxamide  +  
PK-11195
pleosporone
plumbagin  
PM-94128
podophyllotoxin  +  
polyketomycin
pomalidomide
porfimer
porfimer sodium
porphobilinogen
pralatrexate
prednisolone  +  
prednisone  +  
prephenic acid
pretetramide  +
prilocaine  +
procarbazine  
procarbazine hydrochloride
procyanidin B4
proguanil  
propionamide  +  
pteridine
pteridine-2,4,6,7-tetrol
pterins  +  
pterostilbene  
puromycin  +  
pyrandicarboxylic acid  +
pyrazinecarboxamide  
pyridinecarboxamide  +  
pyridinedicarboxylic acid  +  
pyridoindolecarboxamide  +
pyrimethamine  
pyrimidinecarboxamide  +
pyrimidinedicarboxylic acid  +
pyrrolecarboxamide  +
pyrroledicarboxylic acid  +
pyrrolidinecarboxamide  +  
pyrrolidinedicarboxylic acid  +
quassimarin
quercetin  +  
quercetin 3,4'-dimethyl ether
quinolinedicarboxylic acid
QX-314
rediocide G
reduced 6-hydroxy-8-(1-D-ribityl)lumazine
regorafenib  +
regorafenib hydrate
respirantin
retaspimycin
retaspimycin hydrochloride
reversine
rhinacanthin C
rhizoxin
ribavirin  
rifampicin  
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-substituted dihydrolipoamide  +
salicylamide  +  
salicylamides  +  
salvileucalin B
samaderine B
samaderine C
samaderine E
samaderine X
samaderine Y
samaderine Z
scalusamide A
schiprolactone A
schizolaenone A
schizolaenone B
schweinfurthin G
schweinfurthin H
scutellarin  
scytalidamide A
scytalidamide B
Se-methyl-L-selenocysteine  +  
Se-methylselenocysteine  +  
semicarbazide  +  
silibinin  
sinapoyltartronic acid
sirolimus  +  
sodium 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate
sodium aurothiomalate  
sodium globostellatate B
sodium globostellatate A
sodium globostellatate C
sodium globostellatate D
sodium stibogluconate
sorafenib  +
SQ 26,992
stavudine  
stevastelin B
stevastelin B3
streptokordin
streptonigrin  
streptozocin  
succimer  
sulfapyridine  
sulindac  +  
sunitinib  +
suprofen  
surfactin  
surfactin A  +  
surfactin B  +  
surfactin C  +  
surfactin D  +  
suxibuzone  
swainsonine
tabersonine  +
tacrolimus (anhydrous)  +  
tacrolimus hydrate  
tamibarotene  
tamoxifen  +  
tamsulosin  +  
tanespimycin
tangeretin  
temozolomide  
tephrosin  +  
terazosin  +  
terrequinone A
thalidomide  +  
thiamphenicol
thiazepinedicarboxylic acid  +
thiazolidinecarboxamide  +
thiazolidinedicarboxylic acid  +
thiodiacetic acid
thiodiacetic acid sulfoxide
thiomorpholine-3,5-dicarboxylic acid  +
thiostrepton
tioguanine  
TMC-135A
TMC-135B
TMC-1A
TMC-1B
TMC-1C
TMC-1D
TMC-86A
TMC-86B
TMC-95A
TMC-95B
TMC-95C
TMC-95D
TMC-96
tocainide
tofacitinib  +
tofacitinib citrate
topopyrone A
topopyrone B
topopyrone C
topopyrone D
topotecan  
toremifene  
trans-2-hydroxyisoxypropyl-3-hydroxy-7-isopentene-2,3-dihydrobenzofuran-5-carboxylic acid
traumatic acid
tricetin  +  
trichodermin
trierixin
trilostane
trimethoprim  +  
trioxsalen  
triptorelin  
troglitazone  
tubercidin  +
ubiquinol-8
UCS1025 A
urdamycin A
urea  +  
valdecoxib  +
vandetanib  +
vedelianin  +
vemurafenib
verteporfin  
vilazodone
vindesine  +  
vindesine sulfate
vinorelbine  +  
vinorelbine D-tartrate
vinorelbine L-tartrate
vismodegib
vitexin  +
wedelolactone  
Weinreb amide  +
wogonin  +  
WZ4002
xanthopterin-B2
XL147
XL765
zalcitabine  
zidovudine