SMILES
stringlengths 2
1.03k
| IUPAC
stringlengths 6
1.64k
|
|---|---|
CCCC(N)C(=O)N1CCN(c2ccc(Br)cn2)CC1.Cl
|
2-amino-1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride
|
CC(=O)N(C)C/C=C/C(=O)O
|
(E)-4-[acetyl(methyl)amino]but-2-enoic acid
|
Cc1cccc(C(=O)Nc2cccc(SC(C)C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)c2)c1
|
N-[3-[1-[4-(1,3-benzoxazol-2-yl)anilino]-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
|
C/C=C/C=C/C(C)C
|
(2E,4E)-6-methylhepta-2,4-diene
|
CC(C)N1CC[C@H](N2C(=O)[C@H]3CCCN3C2=O)C1=O
|
(7aR)-2-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
|
COc1cc(O)c(C(C)=NNC(=O)c2ccccc2C)c(OC)c1
|
N-[1-(2-hydroxy-4,6-dimethoxyphenyl)ethylideneamino]-2-methylbenzamide
|
c1ccc(C2=NC(c3ccccc3)NC(n3c4ccc(-c5ccccc5)cc4c4cc5sc6ccccc6c5cc43)[N-]2)cc1
|
11-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-4-en-2-yl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole
|
C=CCCCCOC(=O)[C@@H]1[C@H]2C(=O)N(CCCCO)C(C(=O)N(CC=C)Cn3nnc4ccccc43)C23CC[C@@]1(CC)O3
|
hex-5-enyl (5R,6R,7R)-2-[benzotriazol-1-ylmethyl(prop-2-enyl)carbamoyl]-7-ethyl-3-(4-hydroxybutyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate
|
CC1CCc2cc(F)ccc2N1C(=O)C=Cc1c(F)cccc1Cl
|
3-(2-chloro-6-fluorophenyl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
|
CCNC(=NCCS(=O)(=O)C(C)(C)C)N(C)Cc1cc(Br)cn1C
|
1-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(2-tert-butylsulfonylethyl)-3-ethyl-1-methylguanidine
|
c1cncc(-c2nc(-c3cc(-c4cnc5ccccc5c4)cc(-c4cnc5ccccc5c4)c3)nc(-c3cc(-c4cnc5ccccc5c4)cc(-c4cnc5ccccc5c4)c3)n2)c1
|
3-[3-[4-[3,5-di(quinolin-3-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]-5-quinolin-3-ylphenyl]quinoline
|
CC(CO)CCCNC(=O)Oc1ccccc1
|
phenyl N-(5-hydroxy-4-methylpentyl)carbamate
|
CCN1CCc2nc(NC(=O)C(C)NC(=O)c3cccc(C)c3)sc2C1
|
N-[1-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide
|
Cc1cccc(CO)c1OCc1c(Cl)c(C)nn1C
|
[2-[(4-chloro-2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methanol
|
Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC3)cn1
|
9-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
|
C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@@H](OCN(C)C=O)C1)O2
|
N-[[(1R,3S,7S,8R,10S,12S,15Z,18R)-12-[(E,1S)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-enyl]-3-methyl-5-methylidene-14-oxo-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-7-yl]oxymethyl]-N-methylformamide
|
COc1ccc(C2=NN=C(N)SC2)cc1
|
5-(4-methoxyphenyl)-6H-1,3,4-thiadiazin-2-amine
|
CCC(C)(C)c1ccc(OCCCC(=O)NC2CCCCCC2)c(C(C)(C)CC)c1
|
4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-cycloheptylbutanamide
|
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)OC1C(OCC(NC(=O)C(O)CCCCCCCCCCCCCC/C=C/CCCCCCCC)C(O)/C=C/CCCCCCCCCCC)OC(CO)C(O)C1O
|
[4,5-dihydroxy-2-[(E)-3-hydroxy-2-[[(E)-2-hydroxyhexacos-17-enoyl]amino]hexadec-4-enoxy]-6-(hydroxymethyl)oxan-3-yl] (15Z,18Z,21Z,24Z)-triaconta-15,18,21,24-tetraenoate
|
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(NC(=O)CCOCCC(=O)N2CCN(CCC(NC(=O)C3(N)CCN(c4ncnc5[nH]ccc45)CC3)c3ccc(Cl)cc3)CC2)C(C)(C)C)cc1
|
4-amino-N-[1-(4-chlorophenyl)-3-[4-[3-[3-[[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]propanoyl]piperazin-1-yl]propyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
|
Cc1nc2ccc(NC(=O)[C@H](NC(N)=O)C(C)(C)C)cc2o1
|
(2R)-2-(carbamoylamino)-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
|
CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1
|
4-[(4-chlorophenyl)methoxy]-N-ethyl-3-methoxy-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
|
N#CC1(N2CCCC2)CCCOc2ccc(Cl)cc21
|
7-chloro-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepine-5-carbonitrile
|
CC=C[C@@H]1CC[C@H]2c3cc(F)cc(F)c3CC[C@@H]2[C@H]1c1cc(F)cc(F)c1
|
(1S,2S,4aR,10aS)-1-(3,5-difluorophenyl)-6,8-difluoro-2-prop-1-enyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
|
COc1cc(C)nc(Cn2ccc3ccc(C#N)cc32)c1
|
1-[(4-methoxy-6-methylpyridin-2-yl)methyl]indole-6-carbonitrile
|
Cc1cnc(C2CC(C)(C)n3ncc(C(=O)CCCc4ccccc4)c3N2)s1
|
1-[7,7-dimethyl-5-(5-methyl-1,3-thiazol-2-yl)-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-4-phenylbutan-1-one
|
CC(NC(=O)COC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccs1
|
[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
|
Cn1nc(CCl)nc1CCl
|
3,5-bis(chloromethyl)-1-methyl-1,2,4-triazole
|
Nc1[nH]c(=S)[nH]c(=O)c1C(c1ccc([N+](=O)[O-])cc1)c1c(N)[nH]c(=S)[nH]c1=O
|
6-amino-5-[(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
|
c1ncc(CNCCN2CCCCC2)cn1
|
2-piperidin-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine
|
CC(=O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
|
1-(4-acetylphenyl)-3-(4-nitrophenyl)urea
|
COc1cc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc(OC)c1
|
N-(3,5-dimethoxyphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
|
CCCc1nnsc1C(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1
|
1-cyclopropyl-6-methyl-4-[1-(4-propylthiadiazole-5-carbonyl)azetidin-3-yl]oxypyridin-2-one
|
O=C([O-])[C@H]1c2ccccc2C(=O)N(CCCCl)[C@H]1c1ccc2c(c1)OCO2
|
(3R,4S)-3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate
|
CCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)C1=O
|
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
|
CC1CC(C)C(OC=O)C(C)C1
|
(2,4,6-trimethylcyclohexyl) formate
|
CC1C(c2ccccc2)CCCN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
|
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridin-2-yl]-(2-methyl-3-phenylpiperidin-1-yl)methanone
|
Cl.O=C(O)C1CCN(c2ccc(Cl)c(-c3nc4ccc(F)cc4[nH]3)c2)CC1
|
1-[4-chloro-3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxylic acid;hydrochloride
|
Cc1c(NC(=O)c2ccn(COc3ccccc3F)n2)c(=O)n(-c2ccccc2)n1C
|
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
|
CCOC(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C(F)(F)F
|
ethyl 4,4,4-trifluoro-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
|
N#Cc1c(N)n[nH]c1C1CCc2cccc(Cl)c2C1
|
3-amino-5-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-4-carbonitrile
|
COCC(CCO[C@@H]1C=C2CC[C@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)COC
|
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-16-[4-methoxy-3-(methoxymethyl)butoxy]-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]
|
O=C(CN1c2ccccc2Cn2c1nc(-c1ccncc1)cc2=O)c1ccc(N2CCCC2)cc1.O=C(CN1c2ccccc2Cn2c1nc(-c1ccncc1)cc2=O)c1cccnc1
|
11-(2-oxo-2-pyridin-3-ylethyl)-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one;11-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one
|
CC(N(C)Cc1cnc(NN)s1)C(C)(C)C
|
N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,3,3-trimethylbutan-2-amine
|
CNC(=O)c1ccc2c(c1)N(C)CCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12.Cl.Cl
|
1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,4-dimethyl-2,3-dihydroquinoxaline-6-carboxamide;dihydrochloride
|
COc1ccc(N2C(=O)C(=O)/C(=C(/O)c3cc(OC)ccc3Cl)C2c2ccc(O)c(Cl)c2)cc1
|
(4E)-5-(3-chloro-4-hydroxyphenyl)-4-[(2-chloro-5-methoxyphenyl)-hydroxymethylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
|
Cc1ccc(-c2nnc(N[C@@H]3CCCNC3)c3cc(C)ccc23)c(O)c1
|
5-methyl-2-[6-methyl-4-[[(3R)-piperidin-3-yl]amino]phthalazin-1-yl]phenol
|
COc1ccc(-c2ncc3ncn(C)c3n2)c(OC)c1OC
|
9-methyl-2-(2,3,4-trimethoxyphenyl)purine
|
COCCNC(=NCC(=O)N(C)C)N(C)Cc1ccc(OC)cc1OC
|
2-[[[(2,4-dimethoxyphenyl)methyl-methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
|
O=C(Cn1cnnn1)NCCOc1cccc(F)c1
|
N-[2-(3-fluorophenoxy)ethyl]-2-(tetrazol-1-yl)acetamide
|
CC(C)(CNC(=O)CCCc1cccs1)N1CCS(=O)CC1
|
N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-4-thiophen-2-ylbutanamide
|
CCCn1cncc1C1C(N)CCC(=O)N1CC(C)C
|
5-amino-1-(2-methylpropyl)-6-(3-propylimidazol-4-yl)piperidin-2-one
|
Cc1cc(C(=O)CN2C(=O)NC(C)(c3ccc4c(c3)OCO4)C2=O)c(C)n1CCc1ccc(F)cc1
|
5-(1,3-benzodioxol-5-yl)-3-[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
|
CNC(=O)CN(C)C(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1
|
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
|
Cl.N#Cc1ccc2c(c1)N=C(N)C2
|
2-amino-3H-indole-6-carbonitrile;hydrochloride
|
Cc1ccc(CNC(=O)CCCCCn2c(=O)c3sccc3n(Cc3cccc(F)c3)c2=O)cc1
|
6-[1-[(3-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]hexanamide
|
C=C(F)c1c(C2CC2(F)F)c(C)n(C)c1/C=C\C
|
3-(2,2-difluorocyclopropyl)-4-(1-fluoroethenyl)-1,2-dimethyl-5-[(Z)-prop-1-enyl]pyrrole
|
O=C(CN1C(=O)C2CCCCC2C1=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
|
2-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
|
CCC(=O)O/N=C1\CCCc2cc(C)ccc21
|
[(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate
|
OC(COC1COC2(CCNCC2)C1)C(F)(F)F
|
1,1,1-trifluoro-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propan-2-ol
|
CC(C)(C)N(CCc1cccc(-c2ccc(/C=C3\SC(=O)NC3=O)s2)c1)C(=O)O
|
tert-butyl-[2-[3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]phenyl]ethyl]carbamic acid
|
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc1O
|
(E)-N-(4-acetamidophenyl)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
|
CC1CCNCC1NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1.Cl
|
N-(4-methylpiperidin-3-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride
|
Cc1cc(S(N)(=O)=O)c(C)cc1CNc1nc(NC2(C(F)(F)F)CC2)c2nc(-c3ccc(F)cc3)ccc2n1
|
4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-2,5-dimethylbenzenesulfonamide
|
CC(C)(CCOC(=O)CCC(C)(C)OC(=O)CS)OC(=O)CS.CC(C)(CCOCCC(C)(C)OC(=O)CS)OC(=O)CS.CC(C)(OC(=O)CCS)c1ccc(C(C)(C)OC(=O)CCS)cc1.CC(C)(OC(=O)CCS)c1cccc(C(C)(C)OC(=O)CCS)n1.CC(C)(OC(=O)CCS)c1cocc1C(C)(C)OC(=O)CCS.CC(C)(OC(=O)CS)c1ccc(C(C)(C)OC(=O)CS)cc1.CCC(CC)(OC(=O)CCS)c1ccc(C(CC)(CC)OC(=O)CCS)cc1.CCC(CC)(OC(=O)CS)C1CC(C(CC)(CC)OC(=O)CS)CC(C(CC)(CC)OC(=O)CS)C1
|
3-[3,5-bis[3-(2-sulfanylacetyl)oxypentan-3-yl]cyclohexyl]pentan-3-yl 2-sulfanylacetate;[2-methyl-4-[3-methyl-3-(2-sulfanylacetyl)oxybutoxy]butan-2-yl] 2-sulfanylacetate;[3-methyl-3-(2-sulfanylacetyl)oxybutyl] 4-methyl-4-(2-sulfanylacetyl)oxypentanoate;2-[4-[2-(2-sulfanylacetyl)oxypropan-2-yl]phenyl]propan-2-yl 2-sulfanylacetate;3-[4-[3-(3-sulfanylpropanoyloxy)pentan-3-yl]phenyl]pentan-3-yl 3-sulfanylpropanoate;2-[4-[2-(3-sulfanylpropanoyloxy)propan-2-yl]furan-3-yl]propan-2-yl 3-sulfanylpropanoate;2-[4-[2-(3-sulfanylpropanoyloxy)propan-2-yl]phenyl]propan-2-yl 3-sulfanylpropanoate;2-[6-[2-(3-sulfanylpropanoyloxy)propan-2-yl]pyridin-2-yl]propan-2-yl 3-sulfanylpropanoate
|
CC(C)OC(=O)CNCCCN1CCCC1
|
propan-2-yl 2-(3-pyrrolidin-1-ylpropylamino)acetate
|
Cc1ccc(NC(=O)c2csc(C3CCN(C(=O)CCc4cccnc4)CC3)n2)c(-c2ccccc2)c1
|
N-(4-methyl-2-phenylphenyl)-2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
|
Clc1ccccc1-c1nnc(CSc2nc(C3CC3)nc3ccccc23)o1
|
2-(2-chlorophenyl)-5-[(2-cyclopropylquinazolin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole
|
CCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cn2)C[C@@H]1CC
|
N-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]pyridin-3-yl]-4-propan-2-ylbenzenesulfonamide
|
CCC1OC(CC)C2C3CC(C(C(=O)OC(C)(C)C)C3C(=O)OC(Cl)(Cl)Cl)C12.CCC1OC(CC)C2C3CC(C(C(=O)OC)C3C(=O)OC)C12.CCC1OC(CC)C2C3CC(C(COC)C3C(=O)OC)C12
|
9-O-tert-butyl 8-O-(trichloromethyl) 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;dimethyl 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate;methyl 3,5-diethyl-9-(methoxymethyl)-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate
|
OC/C(Cl)=C/B(O)O
|
[(Z)-2-chloro-3-hydroxyprop-1-enyl]boronic acid
|
CCn1c(C)nc2cc(N=Cc3ccc(N(CCCl)CCCl)cc3Cl)ccc21
|
3-chloro-N,N-bis(2-chloroethyl)-4-[(1-ethyl-2-methylbenzimidazol-5-yl)iminomethyl]aniline
|
CCC(C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(C)cc1C
|
N'-[2-(2-butan-2-ylphenoxy)acetyl]-2-(2,4-dimethylphenoxy)acetohydrazide
|
Cc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)s1
|
(5Z)-3-[(2-chlorophenyl)methyl]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
|
CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(C#N)c(F)c3)cc3cccnc32)C1.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)O)cc3cccnc32)C1.N#Cc1ccc(CN)cc1F
|
4-(aminomethyl)-2-fluorobenzonitrile;N-[(4-cyano-3-fluorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid
|
CCC(CN)CC(=O)N(C)Cc1cccc(C)n1
|
3-(aminomethyl)-N-methyl-N-[(6-methylpyridin-2-yl)methyl]pentanamide
|
COC(=O)CC[C@H](NC(=O)C[C@H](O)CNC(=O)OCc1ccccc1)C(=O)O
|
(2S)-2-[[(3S)-3-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]amino]-5-methoxy-5-oxopentanoic acid
|
C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c1
|
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide
|
Fc1ccccc1OCCl
|
1-(chloromethoxy)-2-fluorobenzene
|
CNC(C(=O)OC)c1ccc(F)c(F)c1
|
methyl 2-(3,4-difluorophenyl)-2-(methylamino)acetate
|
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCC
|
(3-octanoyloxy-2-tetradecanoyloxypropyl) (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriaconta-18,21,24,27,30,33-hexaenoate
|
N=C(N)CCN(CC/C(N)=N\O)CC(=O)NO
|
2-[[(3E)-3-amino-3-hydroxyiminopropyl]-(3-amino-3-iminopropyl)amino]-N-hydroxyacetamide
|
CN1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)cc2)CC1
|
4-(cyclopropylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
|
CC(C)S(=O)c1nccnc1Cn1c(=O)c(-c2nccn2C)cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc21.COCCS(=O)(=O)c1cn(C)nc1Cn1c(=O)c(C2=C(C)CCC2)cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc21.Cc1ccccc1-c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(Cc2nnn(C)c2S(=O)C2CCCC2)c1=O
|
8-[(5-cyclopentylsulfinyl-1-methyltriazol-4-yl)methyl]-6-(2-methylphenyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-[[4-(2-methoxyethylsulfonyl)-1-methylpyrazol-3-yl]methyl]-6-(2-methylcyclopenten-1-yl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[(3-propan-2-ylsulfinylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
|
NCC1(C(=O)NC2CCCSC2)CCC1
|
1-(aminomethyl)-N-(thian-3-yl)cyclobutane-1-carboxamide
|
CCC[C@H]1CCC(CCC(O)C2C=CC([C@H]3CCC([C@@H]4C=CC(CC)CC4)C(F)=C3F)CC2)C=C1F
|
1-[4-[(1R)-4-[(1S)-4-ethylcyclohex-2-en-1-yl]-2,3-difluorocyclohex-2-en-1-yl]cyclohex-2-en-1-yl]-3-[(4S)-3-fluoro-4-propylcyclohex-2-en-1-yl]propan-1-ol
|
Cc1cc(N[C@@H]2CCN(C(=O)C(C)CN3CCN(c4ccc(Cl)cc4)CC3)C2)ccc1[N+](=O)[O-]
|
3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methyl-1-[(3R)-3-(3-methyl-4-nitroanilino)pyrrolidin-1-yl]propan-1-one
|
COC1CCCCC1NOCc1ccccc1
|
2-methoxy-N-phenylmethoxycyclohexan-1-amine
|
CC(CC(=O)NCC(N)CC(C)(C)C)C(C)(C)C
|
N-(2-amino-4,4-dimethylpentyl)-3,4,4-trimethylpentanamide
|
O=C(NCc1ccccc1Br)c1ccnc(F)c1F
|
N-[(2-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide
|
Cn1c2c(c(=O)n(C)c1=O)C1NC3(CCCCC3)N(C3CCCCC3)C1=NN2
|
5-cyclohexyl-10,12-dimethylspiro[3,5,7,8,10,12-hexazatricyclo[7.4.0.02,6]trideca-1(9),6-diene-4,1'-cyclohexane]-11,13-dione
|
CCn1cc(Cl)cc1C(=O)N1CCOCC1CO
|
(4-chloro-1-ethylpyrrol-2-yl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
|
CC1Oc2ccc(C(=O)C3CCOC3)cc2NC1=O
|
2-methyl-6-(oxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one
|
C#CC(C)(C)NCC(O)CC(=O)OCC
|
ethyl 3-hydroxy-4-(2-methylbut-3-yn-2-ylamino)butanoate
|
CCN(CC)CCNCc1ccncc1F
|
N',N'-diethyl-N-[(3-fluoropyridin-4-yl)methyl]ethane-1,2-diamine
|
c1ccc(-c2nc3sc4ccccc4c3nc2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)c4c(cc32)oc2ccccc24)cc1
|
12-carbazol-9-yl-7-(3-phenyl-[1]benzothiolo[2,3-b]pyrazin-2-yl)-[1]benzofuro[2,3-b]carbazole
|
OCCC#Cc1cc(F)cc(OC2CCOCC2)c1
|
4-[3-fluoro-5-(oxan-4-yloxy)phenyl]but-3-yn-1-ol
|
COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(CN2CCOCC2)cc1
|
5-bromo-2-methoxy-3-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide
|
Cc1c(I)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C#C[Si](C)(C)C
|
9H-fluoren-9-ylmethyl N-[[3-iodo-4-methyl-5-(2-trimethylsilylethynyl)phenyl]methyl]carbamate
|
NC(=O)C1CCN(C(=O)c2cccc(C(=O)O)n2)CC1
|
6-(4-carbamoylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.