SMILES
stringlengths 2
908
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stringlengths 6
1.25k
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Cc1cc2c3c(c1)N(c1ccc4c(c1C)C(C)(C)CC4(C)C)c1cc(C(C)(C)c4ccccc4)ccc1B3c1cc3c(cc1N2c1cc2c(cc1C)C(C)(C)CCC2(C)C)C(C)(C)CCC3(C)C
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5,5,8,8,15-pentamethyl-12-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-18-(1,1,3,3,4-pentamethyl-2H-inden-5-yl)-21-(2-phenylpropan-2-yl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13,15,17(25),19(24),20,22-nonaene
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COc1ccc(C(O)C2(CN)CCCC2)cc1Br
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[1-(aminomethyl)cyclopentyl]-(3-bromo-4-methoxyphenyl)methanol
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CCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ncnc4c(COC)nn(C)c34)n[nH]2)C1
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[(1R,3S)-3-[3-[[3-(methoxymethyl)-1-methylpyrazolo[4,3-d]pyrimidin-7-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-butan-2-ylcarbamate
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C=CC(CC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1
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tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoate
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C=CCNC(=O)N(CCCC[C@@H](NC(C)=O)C(=O)NCc1ccccc1)Cc1ccccc1
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(2R)-2-acetamido-N-benzyl-6-[benzyl(prop-2-enylcarbamoyl)amino]hexanamide
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O=C(O)c1oc2c(Cl)c(Cl)ccc2c1C1CC1
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6,7-dichloro-3-cyclopropyl-1-benzofuran-2-carboxylic acid
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O=C(CCC1CCCC1)N1CCC(c2ccc3c(c2)OCO3)C1
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1-[3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-3-cyclopentylpropan-1-one
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CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@H]1c1cccc(Cl)c1
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(6R,9R)-5-acetyl-6-(3-chlorophenyl)-9-(4-methylphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
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CCc1nc(C2CCS(=O)(=O)C2)nc(Cl)c1I
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3-(4-chloro-6-ethyl-5-iodopyrimidin-2-yl)thiolane 1,1-dioxide
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COc1ccc2c(c1OC)[C@H](C)[C@@H]1C[C@@H](c3ccccc3)CC=C1C2=O
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(3S,4aS,10R)-5,6-dimethoxy-10-methyl-3-phenyl-3,4,4a,10-tetrahydro-2H-anthracen-9-one
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CCOc1cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3O)c(F)c2)c[nH]c1=O
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1-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-3-[2-hydroxy-5-(trifluoromethyl)phenyl]urea
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C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3ccc4c(c3)-c3ccc(C[N+]56CC[N+](CC(N)=O)(CC5)CC6)cc3C4=O)C[C@H]12
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(5R,6S)-3-[7-[[4-(2-amino-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]methyl]-9-oxofluoren-3-yl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
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CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC(c1ccccc1)c1ccccc1
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(2S)-N-benzhydryl-2-naphthalen-2-yloxybutanamide
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CS(=O)(=O)Nc1cc([C@@H](O)CNCCOc2ccc3c4c([nH]c3c2)CCCC4)ccc1CO
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N-[2-(hydroxymethyl)-5-[(1R)-1-hydroxy-2-[2-(6,7,8,9-tetrahydro-5H-carbazol-2-yloxy)ethylamino]ethyl]phenyl]methanesulfonamide
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O=C(OCC(=O)N1CCOCC1)c1cc2c(F)cccc2s1
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(2-morpholin-4-yl-2-oxoethyl) 4-fluoro-1-benzothiophene-2-carboxylate
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CC(OC(=O)COc1ccc(F)cc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1
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[1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
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COCCN1CCC2(CCCN2Cc2csc(C)n2)CC1
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4-[[8-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-thiazole
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CC(C)(c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc4ccccc4cc2-3)cc1)c1ccc2ccccc2c1
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N-[4-(2-naphthalen-2-ylpropan-2-yl)phenyl]-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
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Cc1cccc(-c2nc(N(CCCl)C(=O)O)sc2-c2ccnc(C)c2)c1
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2-chloroethyl-[4-(3-methylphenyl)-5-(2-methylpyridin-4-yl)-1,3-thiazol-2-yl]carbamic acid
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CC(CC1CC1)N1CCC(CCC(=O)O)C1
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3-[1-(1-cyclopropylpropan-2-yl)pyrrolidin-3-yl]propanoic acid
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CN(C(=O)C1C2CCCCC21)C1CCC(=O)CC1
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N-methyl-N-(4-oxocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide
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C=CCOc1ccc(C(=O)C=Cc2cc(OC)cc(OC)c2CC=C)cc1
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3-(3,5-dimethoxy-2-prop-2-enylphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
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COc1ccc(CN2CC(COc3ccccc3)C3(C2)CN(c2ccccc2)C3)cc1O
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2-methoxy-5-[[5-(phenoxymethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]methyl]phenol
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C[C@H]1Oc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2CN(Cc2ccccc2)C1=O
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N-[(2R)-4-benzyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-chlorobenzenesulfonamide
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COc1cc(C)ccc1NC1CSCCC1(C)C
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N-(2-methoxy-4-methylphenyl)-4,4-dimethylthian-3-amine
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C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)Nc1ccc(Cl)cc1
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[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
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C[C@H](Nc1ccc(Oc2ccccc2Cl)cc1)C(=O)N1CCNC1=O
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1-[(2S)-2-[4-(2-chlorophenoxy)anilino]propanoyl]imidazolidin-2-one
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Cc1ccccc1Nc1ccc(NC(=O)Cc2ccc(Cl)cc2)cn1
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2-(4-chlorophenyl)-N-[6-(2-methylanilino)pyridin-3-yl]acetamide
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CCc1nc(NN)cc(NC(C)C(=O)N(CC)CC)n1
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N,N-diethyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propanamide
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Cc1ccc(CN)cc1-c1cc(F)cc(F)c1
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[3-(3,5-difluorophenyl)-4-methylphenyl]methanamine
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CCCC1CC(N(CC2CCCNC2)C2CC2)CCO1
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N-cyclopropyl-N-(piperidin-3-ylmethyl)-2-propyloxan-4-amine
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CC1CN(C(=O)CC(N)c2ccccc2)CC(c2ccccc2)O1
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3-amino-1-(2-methyl-6-phenylmorpholin-4-yl)-3-phenylpropan-1-one
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CCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O
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N-[(3,4-dichlorophenyl)methyl]-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
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O=C(CN1CCCOC1=O)N1CCNCC1
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3-(2-oxo-2-piperazin-1-ylethyl)-1,3-oxazinan-2-one
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c1cc2c3c(c1)N(C1CCCCC1)CCC3CCN2
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2-cyclohexyl-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-triene
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Clc1ccc2c(C3=NC(NC4CCNC4)=CNC3)cnn2c1
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3-(6-chloropyrazolo[1,5-a]pyridin-3-yl)-N-pyrrolidin-3-yl-1,2-dihydropyrazin-5-amine
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Cc1c(Br)cc(C(=O)O)cc1S(=O)(=O)NC1CCSC1
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3-bromo-4-methyl-5-(thiolan-3-ylsulfamoyl)benzoic acid
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CC(C)NC(=O)CSc1nnc(CN)n1C1CC1
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2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide
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Nn1ccc2nc(N3CCCC3)ncc2c1=O
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6-amino-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
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CC(C)O[C@H]1CCN(C(=O)C2(C3CCCCCCCC3)CNNN2)CC1(F)F
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(4-cyclononyltriazolidin-4-yl)-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]methanone
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Cc1ccc(C)c(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1
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N-(1,3-benzodioxol-5-yl)-1-[2-(2,5-dimethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
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Cc1ccsc1C1c2c(nc(N3CCC4(CC3)OCCO4)[nH]c2=O)NC(=O)C1C#N
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2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-(3-methylthiophen-2-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile
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CC[C@@H]1O[C@H](C)CC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2(C)CC2)NC(=O)[C@@H]2C[C@@H](Oc3ncc(OC)c4ccccc34)CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)F
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(1,1-difluoro-2-methylpropan-2-yl) N-[(1S,4R,6S,7Z,11R,13S,14S,18R)-13-ethyl-18-(4-methoxyisoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-12-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate
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O=C(CC1Nc2ccccc2Oc2ccccc21)c1ccccc1
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2-(5,6-dihydrobenzo[b][1,4]benzoxazepin-6-yl)-1-phenylethanone
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Cc1cccc(NC(=O)Cc2ccc(-n3cccn3)cc2)c1
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N-(3-methylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
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Cc1ccncc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
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2-[3-(4-methylpyridin-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
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COC(C)(C)C(=O)c1ccc2sc3ccccc3c(=O)c2c1
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2-(2-methoxy-2-methylpropanoyl)thioxanthen-9-one
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CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC3CNC3)ccc21
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N-(azetidin-3-ylmethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
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C#CCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C(C)C)c3)nc2c1.COc1cc(OC)cc(N(CC#Cc2ncccc2OC)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4CO)nc3c2)c1.COc1cc(OC)cc(N(Cc2cc3ccccc3o2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
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N-(1-benzofuran-2-ylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(3-methoxypyridin-2-yl)prop-2-ynyl]-3-(1-propan-2-ylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-propan-2-ylpyrazol-4-yl)-N-prop-2-ynylquinoxalin-6-amine;[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]-2-methylpyrazol-3-yl]methanol
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O=C1[C@@H]2Cc3c([nH]c4ccccc34)C(c3cccc4ccccc34)N2C(=O)CN1C1CCCC1
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(8S)-6-cyclopentyl-2-naphthalen-1-yl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
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CC(C)c1c(Cl)c(F)cc2[nH]ncc12
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5-chloro-6-fluoro-4-propan-2-yl-1H-indazole
|
CN(CCO)c1ccc(C#N)c(Oc2ccc(Br)c(C3OCCO3)c2)n1
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2-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbonitrile
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CC(C)NCC(=O)NC(C)c1nn[nH]n1
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2-(propan-2-ylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
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Cc1nc(Cl)nc(N(C)C(C)c2cccs2)c1N
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2-chloro-4-N,6-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,5-diamine
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CC(=O)OC[C@H](C(=O)Cl)c1ccc(Br)cc1
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[(2R)-2-(4-bromophenyl)-3-chloro-3-oxopropyl] acetate
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CCNC(=NCCCOCC)N1CCC2(CCCC2)C1.I
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N'-(3-ethoxypropyl)-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
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COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1
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2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
|
CCCCC(C)/C=C/C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O
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4-methyl-2-[2-[[2-[[(E)-4-methyloct-2-enoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]pentanoic acid
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Cc1ccc(F)c(N2CCN(Cc3ccccc3F)[C@@H](C)C2=O)c1
|
(3S)-1-(2-fluoro-5-methylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
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CNCc1c2cc(C3CC3)c(N(CCNC(C)=O)S(C)(=O)=O)cc2nn1-c1ccc(Oc2ccc(F)cc2)cc1
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N-[2-[[5-cyclopropyl-2-[4-(4-fluorophenoxy)phenyl]-3-(methylaminomethyl)indazol-6-yl]-methylsulfonylamino]ethyl]acetamide
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O=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccc(=O)n(Cc2ccccc2)c1
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1-benzyl-6-oxo-N'-(2-oxochromene-3-carbonyl)pyridine-3-carbohydrazide
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Cc1cc(N[C@@H]2CCCN(CCN3CC[C@H](O)C3)C2)nnc1Cl
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(3S)-1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-3-ol
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O=C(O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1.O=C(O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1.O=C(O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1
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2-(4-nitrophenoxy)benzoic acid
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C=CCC(=O)O[Ge](C=C)(C=C)C=C
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tris(ethenyl)germyl but-3-enoate
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CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC
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[(2R)-1-[[(2R)-3-[[(2R)-3-decanoyloxy-2-(10-methyldodecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-(15-methylhexadecanoyloxy)propan-2-yl] 18-methylicosanoate
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CCC(CS(=O)C(C)(C)C)N1C(=O)C(CC(O)CO)OCC1c1ccc(Cl)cc1
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4-(1-tert-butylsulfinylbutan-2-yl)-5-(4-chlorophenyl)-2-(2,3-dihydroxypropyl)morpholin-3-one
|
Cc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c(C)c1
|
(3E)-6-chloro-3-[(2,4-dimethylphenyl)methylidene]-1H-indol-2-one
|
COC(C)OCOc1cc(C(O)C#Cc2ccc(C=O)cc2)ccc1C12CC3CC(CC(C3)C1)C2
|
4-[3-[4-(1-adamantyl)-3-(1-methoxyethoxymethoxy)phenyl]-3-hydroxyprop-1-ynyl]benzaldehyde
|
C/C=C\c1nc(-c2cc([N+](=O)[O-])[nH]n2)oc1C
|
5-methyl-2-(5-nitro-1H-pyrazol-3-yl)-4-[(Z)-prop-1-enyl]-1,3-oxazole
|
CC(O)C(O)C(C)O.CCC(O)CC.CCCCC.CC[C@@H](O)[C@H](C)O.Cc1ccc(C)cc1
|
pentane;(2S,3R)-pentane-2,3-diol;pentane-2,3,4-triol;pentan-3-ol;1,4-xylene
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O=C(NCCc1cccs1)c1cnn2c3c(cnc12)CCCC3
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N-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
|
CC(C)(C(=O)c1cc(Br)c(Br)s1)S(C)(=O)=O
|
1-(4,5-dibromothiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one
|
CC(C)OC(=O)N(N)c1ccc(-c2cc3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1
|
propan-2-yl N-amino-N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
|
CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
|
(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
CCC(C)C.CCCn1cc(C(=O)O)c(=O)cc1/C(=C1\C=CC=C(OC)C1=NC)C(C)CC
|
6-[(1E)-1-(5-methoxy-6-methyliminocyclohexa-2,4-dien-1-ylidene)-2-methylbutyl]-4-oxo-1-propylpyridine-3-carboxylic acid;2-methylbutane
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CCCC(=O)NCCCCCC(=O)F
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6-(butanoylamino)hexanoyl fluoride
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N=CC1=CC(=N)C(C=N)=CC1=N
|
2,5-dimethanimidoylcyclohexa-2,5-diene-1,4-diimine
|
COc1cnn(C)c1C(=O)CC(C)(C)OC
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3-methoxy-1-(4-methoxy-2-methylpyrazol-3-yl)-3-methylbutan-1-one
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Cc1ccc(CN(C)C(=O)C[NH+](C)CC(=O)NC(C)C)cc1
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methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
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O=C(Cn1ccc2ccc(F)cc21)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2
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(1R,9S)-11-[2-(6-fluoroindol-1-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
|
COC(=O)c1ccc(C(=O)OC)c(N=Cc2sc(=S)n(Cc3ccco3)c2O)c1
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dimethyl 2-[[3-(furan-2-ylmethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]methylideneamino]benzene-1,4-dicarboxylate
|
O=C(CNc1ccc(Cl)c(Cl)c1)NCCCc1ccccc1
|
2-(3,4-dichloroanilino)-N-(3-phenylpropyl)acetamide
|
COC(=O)c1cc(Cl)nc(Br)c1NC(=O)OC(C)(C)C
|
methyl 2-bromo-6-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
|
CC(C)(C)OC(=O)NCc1ccc(CCC(=O)N2CC(NC(=O)CN3CCC(=O)N(CC(=O)NC4CC(C(=O)OCc5ccccc5)N(C(=O)CCc5ccc(CNC(=O)OC(C)(C)C)cc5)C4)CCC3=O)CC2C(=O)OCc2ccccc2)cc1
|
benzyl 1-[3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoyl]-4-[[2-[5-[2-[[1-[3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoyl]-5-phenylmethoxycarbonylpyrrolidin-3-yl]amino]-2-oxoethyl]-2,6-dioxo-1,5-diazocan-1-yl]acetyl]amino]pyrrolidine-2-carboxylate
|
COc1ccc(N2CCN(C(=O)[C@@H](N)C(C)(C)O)[C@@H](Cc3ccccc3)C2)cc1OC1CCCC1
|
(2S)-2-amino-1-[(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one
|
CCCCCc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(Cl)cc3)cc2Cl)cc1
|
(4-chlorophenyl) 3-chloro-4-(4-pentylbenzoyl)oxybenzoate
|
CCCCC(CC(=O)c1ccccc1)C(=O)O
|
2-phenacylhexanoic acid
|
CCC(=O)Cc1ncnc2ccc([N+](=O)[O-])cc12
|
1-(6-nitroquinazolin-4-yl)butan-2-one
|
C=CCNC(=S)NN=Cc1ccc(OC)c(CSc2nc3ccccc3s2)c1
|
1-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea
|
CNc1cnn2c(NCCNS(=O)(=O)c3ccc(O)cc3)cc(-c3ccccc3O)nc12
|
4-hydroxy-N-[2-[[5-(2-hydroxyphenyl)-3-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]benzenesulfonamide
|
O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(c2ccnc3nc[nH]c23)CC1
|
[4-(1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
|
CCCCCCCCCNc1ccc(Cl)c(F)c1
|
4-chloro-3-fluoro-N-nonylaniline
|
c1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4)c3)cc2)cc1
|
2-[3-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
|
CCCCC/C=C\CCCCCCCC(=O)OC(COCCCCCCCCC)COP(=O)(O)OCCN
|
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-nonoxypropan-2-yl] (Z)-pentadec-9-enoate
|
COc1c2ccncc2c(OC)c2sc(C=O)cc12
|
4,9-dimethoxythieno[3,2-g]isoquinoline-2-carbaldehyde
|
Cc1cccc(Cl)c1NS(=O)(=O)c1ccc(N)cc1C#N
|
4-amino-N-(2-chloro-6-methylphenyl)-2-cyanobenzenesulfonamide
|
COC(=O)CC1(N)C=NC=CN1.Cl
|
methyl 2-(2-amino-1H-pyrazin-2-yl)acetate;hydrochloride
|
O=S(=O)(c1cccc(-c2nnc(SCc3ccccc3)o2)c1)N1CCOCC1
|
4-[3-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine
|
CCN(CCC(NC)c1ccc(Br)cc1)CC1CCCO1
|
1-(4-bromophenyl)-N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
|
Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(O)(=S)O[C@@H]3[C@H](O)[C@@H](COP(O)(=S)O[C@H]2[C@H]1O)O[C@H]3n1c(=O)sc2c(N)ncnc21
|
7-amino-3-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one
|
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