SMILES
stringlengths 2
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stringlengths 6
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Cc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1cccc(I)c1
|
N-[(Z)-[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
|
O=S(Cc1ccccc1)C[C@@H](OCc1ccccc1)[C@@H](O)[C@H](O)[C@@H](CS(=O)Cc1ccccc1)OCc1ccccc1
|
(2S,3S,4S,5S)-1,6-bis(benzylsulfinyl)-2,5-bis(phenylmethoxy)hexane-3,4-diol
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O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1
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5-(3,4-dichlorophenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
|
CC(C)N1CCOc2c(F)cc(-c3nc(Cc4nc5cc(C6=CCN(C(=O)OC(C)(C)C)CC6)ccc5s4)ncc3F)cc21
|
tert-butyl 4-[2-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-1,3-benzothiazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
|
CC(C)(C)N[C@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@](C)(C(=O)O)C1
|
(1R,2S,5S)-5-(tert-butylamino)-1-methyl-2-[(3S)-2-oxo-3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid
|
Cc1cccc(-c2nnc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)o2)c1
|
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
|
CN(C(=O)C1c2ccccc2-c2ccccc21)[C@H](CN1CCCC1)c1ccc(Cl)cc1
|
N-[(1S)-1-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-9H-fluorene-9-carboxamide
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c1cc(C2CC2)ccc1CN1CC2CNCC2C1
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5-[(4-cyclopropylphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
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O=C(CCc1nc2ccccc2n1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
|
1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one
|
CCCCCCn1c2cc(-c3ccc(OCO)s3)sc2c2sc(-c3cc(CCCC)c(-c4sc(-c5cc6c(s5)c5sc(-c7ccc(C(=O)O)s7)cc5n6CCCCCC)cc4CCCC)s3)cc21
|
5-[10-[4-butyl-5-[3-butyl-5-[7-hexyl-10-[5-(hydroxymethoxy)thiophen-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]thiophen-2-yl]-7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophene-2-carboxylic acid
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COCCC1(C(=O)NC(Cc2ccc(-c3cc(Cl)cn(C)c3=O)cc2)C(=O)OC)CCCC1
|
methyl 3-[4-(5-chloro-1-methyl-2-oxopyridin-3-yl)phenyl]-2-[[1-(2-methoxyethyl)cyclopentanecarbonyl]amino]propanoate
|
[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(Oc7c(-c8ccccc8)c8c9c(c7-c7ccccc7)CCCC9CCC8)ccn6)c5c4)cc(C(C)(C)C)c3)c3ccccc32)c([2H])c1[2H]
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2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-[(1,3-diphenyl-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)oxy]pyridin-2-yl]carbazole
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Cc1ccc(S(C)(=O)=O)cc1C(=O)N(CCO)C1CC1
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N-cyclopropyl-N-(2-hydroxyethyl)-2-methyl-5-methylsulfonylbenzamide
|
NS(=O)(=O)C1CCS(=O)(=O)CC1
|
1,1-dioxothiane-4-sulfonamide
|
O=C(O)[C@H](CS)NCCc1cc(O)ccc1O
|
(2R)-2-[2-(2,5-dihydroxyphenyl)ethylamino]-3-sulfanylpropanoic acid
|
Cc1c(Br)ccc2c1NC(=O)C2O
|
6-bromo-3-hydroxy-7-methyl-1,3-dihydroindol-2-one
|
Cc1cc(NC(=O)Nc2ccccc2)n(-c2nc3c(c(=O)[nH]2)CCCC3)n1
|
1-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-3-phenylurea
|
CCO[C@H](CC/C=C/C(=O)Nc1ccccc1N)[C@H](OC(=O)Nc1ccc(C#N)cc1)c1ccc(OCCO)cc1
|
[(E,1R,2R)-7-(2-aminoanilino)-2-ethoxy-1-[4-(2-hydroxyethoxy)phenyl]-7-oxohept-5-enyl] N-(4-cyanophenyl)carbamate
|
Nc1nc(Cl)ncc1N1CC(CS)CC1=O
|
1-(4-amino-2-chloropyrimidin-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
|
COc1ccc2cc1Cn1ccc(=O)n(c1=O)Cc1cc(ccc1OC)C(=O)c1cccc(c1)C2=O
|
4,18-dimethoxy-1,21-diazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-3,5,7(28),9(27),10,12,15(26),16,18,23-decaene-8,14,22,25-tetrone
|
Cn1nncc1CN1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1
|
N-cyclopropyl-5-[(2R)-1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
|
Cc1cc(O[C@H](C)C(=O)NN)cc(C)c1Cl
|
(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanehydrazide
|
COc1ccc(-c2csc(OC)n2)c(OC)c1
|
4-(2,4-dimethoxyphenyl)-2-methoxy-1,3-thiazole
|
CCNc1ccc(Cl)cc1C(=O)N(C)C1CCCN(C)C1
|
5-chloro-2-(ethylamino)-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
|
CN(Cc1ccccc1-n1cccn1)C(=O)c1cc2c([nH]c1=O)CCC2
|
N-methyl-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
|
CC(C)(C)[C@@H](N)C(=O)O.Cl
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(2R)-2-amino-3,3-dimethylbutanoic acid;hydrochloride
|
C=C1C[C@@]2(C)CCC3[C@](C)(C(=O)OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)CCC[C@@]3(C)[C@@H]2CC[C@@]1(C)OC1OC(CO)C(O)C(O)C1OC1CC(CO)C(O)C(O)C1O
|
[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (4R,6aR,9R,11aR,11bS)-9-[4,5-dihydroxy-6-(hydroxymethyl)-3-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyoxan-2-yl]oxy-4,6a,9,11b-tetramethyl-8-methylidene-1,2,3,4a,5,6,7,10,11,11a-decahydrocyclohepta[a]naphthalene-4-carboxylate
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CNC(CN1CC(C)CCC1C)c1cccc(OC)c1
|
2-(2,5-dimethylpiperidin-1-yl)-1-(3-methoxyphenyl)-N-methylethanamine
|
O=c1c2ccc(Cl)cc2ncn1C1CCCNC1
|
7-chloro-3-piperidin-3-ylquinazolin-4-one
|
O=C(O)c1cccc(CNC(c2cccs2)c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1
|
3-[[[(4,5-diphenyl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]amino]methyl]benzoic acid
|
CCOC(OCC(F)F)OCC(F)F
|
2-[2,2-difluoroethoxy(ethoxy)methoxy]-1,1-difluoroethane
|
CC(C)Cc1nc(C2CCc3ccccc32)sc1CN
|
[2-(2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
|
CCC(C)c1ccc(NC(=O)Cn2ccc(C(C)C)n2)cc1
|
N-(4-butan-2-ylphenyl)-2-(3-propan-2-ylpyrazol-1-yl)acetamide
|
CNC(=O)c1nc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)nc2cc(F)ccc12
|
2-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-7-fluoro-N-methylquinazoline-4-carboxamide
|
CCc1cccc(NC(=O)Nc2ccc(N3CCCC3)c(C(=O)NC3CC3)c2)c1
|
N-cyclopropyl-5-[(3-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
|
Cn1nc(C2CC2)nc1-c1csc2c1CCCC2
|
3-cyclopropyl-1-methyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazole
|
CC(C)(C#N)c1c(F)ccc([N+](=O)[O-])c1F
|
2-(2,6-difluoro-3-nitrophenyl)-2-methylpropanenitrile
|
COC(C)CNC(=O)Oc1ccnc(OC(N)=O)c1
|
(2-carbamoyloxypyridin-4-yl) N-(2-methoxypropyl)carbamate
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NC(=S)NCC(=O)c1cc(F)c(F)cc1C(=O)O.NNC(N)=S.O=C(O)c1cc(F)c(F)cc1C1=NNC(=S)C1.O=C1OC(=O)c2cc(F)c(F)cc21
|
aminothiourea;2-[2-(carbamothioylamino)acetyl]-4,5-difluorobenzoic acid;5,6-difluoro-2-benzofuran-1,3-dione;4,5-difluoro-2-(5-sulfanylidene-1,4-dihydropyrazol-3-yl)benzoic acid
|
CC(C)Nc1ncnc2c1CCN(Cc1ccco1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
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7-(furan-2-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine;2,2,2-trifluoroacetic acid
|
Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2cc(F)cc(F)c2)CC1
|
4-(5-chloro-2-methylphenyl)-N-(3,5-difluorophenyl)piperazine-1-carbothioamide
|
COCCNCc1cccn(C2CCCC2)c1=O
|
1-cyclopentyl-3-[(2-methoxyethylamino)methyl]pyridin-2-one
|
CSCCC(NS(=O)(=O)C=Cc1ccccc1)C(=O)N(C)CC1CCCCC1
|
N-(cyclohexylmethyl)-N-methyl-4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanamide
|
CN(C)C(CNS(=O)(=O)c1ccc(F)cc1)c1c(F)cccc1F
|
N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-fluorobenzenesulfonamide
|
O=C(CN1CCS(=O)(=O)CC1)OCc1nc(-c2cccc(Br)c2)no1
|
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
|
CC(C)CNCc1cnc(N2CCN(C3CC3)CC2)cn1
|
N-[[5-(4-cyclopropylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
|
CC1(C)Cc2c(CN3CCC4(CC3)CCN(C(=O)c3ccc(NC(=O)C(F)(F)F)cc3)CC4)cccc2O1
|
N-[4-[9-[(2,2-dimethyl-3H-1-benzofuran-4-yl)methyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]phenyl]-2,2,2-trifluoroacetamide
|
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1
|
N-methyl-4-[4-(5-nitropyridin-2-yl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
|
OCc1n[nH]nc1-c1cc2c(cn1)[nH]c1ncc(-c3ccc(CN4CCCCC4)cc3)cc12
|
[5-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-2H-triazol-4-yl]methanol
|
c1ccc(CN2CCN(C3=Nc4ccccc4Cn4ccnc43)CC2)cc1
|
4-(4-benzylpiperazin-1-yl)-10H-imidazo[2,1-c][1,4]benzodiazepine
|
CNc1cc(C)nnc1C(=O)OC
|
methyl 6-methyl-4-(methylamino)pyridazine-3-carboxylate
|
Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)NCCN(C)C
|
1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-[2-(dimethylamino)ethyl]urea
|
Cc1cc(-c2cc(C(=O)Nc3ccc4[nH]ncc4c3)c3c(C)noc3n2)c(C)o1
|
6-(2,5-dimethylfuran-3-yl)-N-(1H-indazol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
|
C[C@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)c2c1oc1c(C=O)c(O)c(O)cc21.C[C@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)c2c1oc1c(C=O)c3c(cc21)OCO3
|
(2S,7S,10S)-15,16-dihydroxy-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),13,15,17-tetraene-14-carbaldehyde;(13S,16S,21S)-13,17,17,21-tetramethyl-5,7,11-trioxapentacyclo[10.9.0.02,10.04,8.016,21]henicosa-1(12),2,4(8),9-tetraene-9-carbaldehyde
|
CCOCCn1c(=NC(=O)Cc2cc(C)ccc2C)sc2cc(NC(C)=O)ccc21
|
N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,5-dimethylphenyl)acetamide
|
CSCC[C@H](N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)[C@@H](C)O
|
(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
|
CC(C)(O)c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1
|
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-hydroxypropan-2-yl)phenoxy]ethanone
|
CCOC(=O)c1cnn(C)c1CBr
|
ethyl 5-(bromomethyl)-1-methylpyrazole-4-carboxylate
|
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1
|
[2-(4-bromo-2-ethylanilino)-2-oxoethyl] (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
|
O=C(Nc1ccc(F)c(Cl)c1)c1ccc(CF)c(S(=O)(=O)N2CCOCCC(O)C2)c1
|
N-(3-chloro-4-fluorophenyl)-4-(fluoromethyl)-3-[(6-hydroxy-1,4-oxazocan-4-yl)sulfonyl]benzamide
|
CCOc1ccc(/C=N/N(C(=O)c2ccc(S(=O)(=O)N3CCCCC3CC)cc2)c2nc3ccc(C)cc3s2)cc1
|
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
|
CCC(N)C(=O)Nc1cc(-c2cccs2)ccc1N
|
2-amino-N-(2-amino-5-thiophen-2-ylphenyl)butanamide
|
CCCC(C(=O)Nc1c(C)cc(C)cc1C(=O)OCC)[N+](CC)(CC)CC
|
[1-(2-ethoxycarbonyl-4,6-dimethylanilino)-1-oxopentan-2-yl]-triethylazanium
|
O=C(NNc1ncccc1Cl)c1ccc(C(F)=CC(c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)cc1C(F)(F)F
|
N'-(3-chloropyridin-2-yl)-4-[1,4,4,4-tetrafluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2-(trifluoromethyl)benzohydrazide
|
N#C/C(=C/NCCCO)C(=O)Nc1cccc(Cl)c1Cl
|
(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-(3-hydroxypropylamino)prop-2-enamide
|
C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
|
N-[(1S,2R)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
|
CCc1ccc(OC2CC3CN(C2)CC3C=O)cc1
|
3-(4-ethylphenoxy)-1-azabicyclo[3.2.1]octane-6-carbaldehyde
|
CCC/C=C/CCCCCCC[N+](CC(CC)C(=O)O)(CC(CC)C(=O)O)CC(CC)C(=O)O
|
tris(2-carboxybutyl)-[(E)-dodec-8-enyl]azanium
|
COc1cc(CCS(C)(=O)=O)nc(-c2ccccn2)c1
|
4-methoxy-2-(2-methylsulfonylethyl)-6-pyridin-2-ylpyridine
|
CC1CCCC(CCNC(=O)NCc2ccon2)C1
|
1-[2-(3-methylcyclohexyl)ethyl]-3-(1,2-oxazol-3-ylmethyl)urea
|
CCOC(=O)c1cc2ccccc2n1Cc1ccc(Br)cc1
|
ethyl 1-[(4-bromophenyl)methyl]indole-2-carboxylate
|
Cc1ccccc1NC(=O)COC(=O)c1ccc(-n2cccc2)cc1
|
[2-(2-methylanilino)-2-oxoethyl] 4-pyrrol-1-ylbenzoate
|
C=CC(=O)N1[C@H](C)CN(C2=NC(O)N3C[C@H](OCCN(C)C)CSc4c(-c5ccc(F)c(Cl)c5)c(C(F)(F)F)cc2c43)C[C@@H]1C
|
1-[(2R,6S)-4-[(12S)-8-(3-chloro-4-fluorophenyl)-12-[2-(dimethylamino)ethoxy]-2-hydroxy-7-(trifluoromethyl)-10-thia-1,3-diazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraen-4-yl]-2,6-dimethylpiperazin-1-yl]prop-2-en-1-one
|
CCCCNC(=O)C1(NC(=O)C=Cc2ccc(N3CCCC3=O)cc2)CCCCC1
|
N-butyl-1-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoylamino]cyclohexane-1-carboxamide
|
CC(=O)c1cccc(Oc2nc3nc(O[C@@H]4COC5[C@H](O)CO[C@@H]54)[nH]c3cc2Cl)c1
|
1-[3-[[2-[[(3R,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]oxy]phenyl]ethanone
|
COc1ccc(N2CCN(c3ncnc(N)c3[N+](=O)[O-])CC2)cc1
|
6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
|
CC/C=C/C=C/C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/C=C/CCCCCCCCC)OC(=O)CCCCCCCC/C=C/C/C=C/C/C=C/CC
|
[3-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-2-[(10E,13E,16E)-nonadeca-10,13,16-trienoyl]oxypropyl] (9E,11E)-henicosa-9,11-dienoate
|
COc1ccccc1C=NNC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1
|
3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
|
COc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)C4(CC4)C(N)=N3)c2)nc1
|
N-[3-[(6R)-8-amino-6-methyl-4,4-dioxo-4λ6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
|
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl
|
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5,6-tetrachloro-N-methylpyridine-2-carboxamide
|
OC[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](O)[C@H]1O
|
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
|
C=CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(-c4ccccc4)nc3-c3c(C)cc(C)cc3C)c(=O)n2C1c1ccc(C(=O)OC)cc1
|
prop-2-enyl 5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
|
CCC(C)(CCO)N1C(=O)c2ccccc2C1=O
|
2-(1-hydroxy-3-methylpentan-3-yl)isoindole-1,3-dione
|
CCOc1ccc(C2NC(=O)CCC2[N+](=O)[O-])cc1
|
6-(4-ethoxyphenyl)-5-nitropiperidin-2-one
|
CC(C)(C)OC(=O)N1CCC(=O)C2(CC2C(=O)O)C1
|
5-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-5-azaspiro[2.5]octane-2-carboxylic acid
|
COc1ccc(CNC2=NCNC(Nc3cc(-c4cc(Cl)ccc4F)ncc3C(C)C)=C2CN)cc1
|
5-(aminomethyl)-6-N-[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyridin-4-yl]-4-N-[(4-methoxyphenyl)methyl]-1,2-dihydropyrimidine-4,6-diamine
|
Cc1nc(N)c2ncn(C3[C@@H](O)C(O)[C@@]4(CO)C[C@H]34)c2n1
|
(1S,3R,5S)-4-(6-amino-2-methylpurin-9-yl)-1-(hydroxymethyl)bicyclo[3.1.0]hexane-2,3-diol
|
O=C1CCN(CCS(=O)c2ccccc2)CC1
|
1-[2-(benzenesulfinyl)ethyl]piperidin-4-one
|
CSCCC(NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(N)C(C)C)C(=O)O
|
2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoic acid
|
CC(N(C(=O)C1(C(N)=O)CCC1)C(C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1
|
1-N',1-N'-bis(1-hydroxy-1,1-diphenylpropan-2-yl)cyclobutane-1,1-dicarboxamide
|
Cc1cccc2c(NC(C)c3ncn[nH]3)ncnc12
|
8-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinazolin-4-amine
|
CCCn1ccnc1CN1CCOC[C@@H]1c1ccn[nH]1
|
(3S)-4-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-yl)morpholine
|
CN1CCC(CN(C)c2nccnc2C#N)C1
|
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrazine-2-carbonitrile
|
CCNCc1ccc(CN2CC(C)N(C)C(C)C2)cc1
|
N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
|
Brc1cnn(Cc2cnc(NC3CCCC3)s2)c1
|
5-[(4-bromopyrazol-1-yl)methyl]-N-cyclopentyl-1,3-thiazol-2-amine
|
COc1cccc(/C=N/NC(=O)C[n+]2[nH]c(C)c([N+](=O)[O-])c2C)c1[O-]
|
2-[(E)-[[2-(3,5-dimethyl-4-nitro-1H-pyrazol-2-ium-2-yl)acetyl]hydrazinylidene]methyl]-6-methoxyphenolate
|
CCCCCCC(CN(CCCC)CCCC)N1CCCCC1
|
N,N-dibutyl-2-piperidin-1-yloctan-1-amine
|
Cc1ccc(OCCNC(=O)c2ccccc2Cl)cc1Cl
|
2-chloro-N-[2-(3-chloro-4-methylphenoxy)ethyl]benzamide
|
Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C)ccc12
|
(2S)-2-[[(2S)-2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoyl]amino]-3-methylbutanoic acid
|
CC(=O)c1ccn(C(=O)N2CC3CN(Cc4cc(C)cc(Cl)c4)CC3C2)n1.CC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(N5CCCC5)cc4C(F)(F)F)CC3C2)n1.CC(=O)c1ccn(C(=O)N2CC3CN(Cc4cccc(OC(F)(F)F)c4)CC3C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C(F)(F)F)cc3-c3nn[nH]n3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCC(O)CC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Oc3ccc(Cl)c(N4CCCC4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5ccccc5)c4)C[C@H]3C2)n1
|
1-[1-[(3aS,6aR)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-chloro-5-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-(4-chloro-3-pyrrolidin-1-ylphenoxy)piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(4-hydroxypiperidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[[2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone
|
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