SMILES
stringlengths 2
1.22k
| IUPAC
stringlengths 4
2.43k
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CCCCC(C)Cc1ccccc1C
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1-methyl-2-(2-methylhexyl)benzene
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COC1CC(NCC2(c3ccc(N)cc3)CC2)C1
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4-[1-[[(3-methoxycyclobutyl)amino]methyl]cyclopropyl]aniline
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CCCNC(c1ccn(C)n1)c1cc2cc(F)ccc2o1
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N-[(5-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
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CCCc1c(-c2ccc(S(C)=N)cn2)n(-c2ccccc2F)c2cc(OC(F)F)ccc12
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[6-[6-(difluoromethoxy)-1-(2-fluorophenyl)-3-propylindol-2-yl]pyridin-3-yl]-imino-methyl-λ4-sulfane
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Cc1nnc(-c2ccc(CNC(=O)c3ccc(C4=c5cc6c7c(c5Cc5c4cc4c8c5CCCN8CCC4)CCC[N+]=7CCC6)c(C(=O)O)c3)cc2)nn1
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2-(23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylcarbamoyl]benzoic acid
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COc1cc(OC)c2c(CCNC(C)(C)C)coc2c1
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N-[2-(4,6-dimethoxy-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
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CCn1cc(CO)c(-c2cccs2)n1
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(1-ethyl-3-thiophen-2-ylpyrazol-4-yl)methanol
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CCOC1OCC23CCCC1(C(=O)OC)C2CCC1C(C)c2ccoc2CC13
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methyl 15-ethoxy-9-methyl-5,16-dioxapentacyclo[12.3.3.01,13.02,10.04,8]icosa-4(8),6-diene-14-carboxylate
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CC1/C=C/CCCCC/C=C/C(C)CC(O)C(=O)C1
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(4E,11E)-15-hydroxy-3,13-dimethylcyclopentadeca-4,11-dien-1-one
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Cc1cc(C)c(S(=O)(=O)N2CC3=CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3=C[C@@H]2C(C)C)c(C)c1
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(3S)-6-(2-nitrophenyl)sulfonyl-3-propan-2-yl-2-(2,4,6-trimethylphenyl)sulfonyl-1,3,5,7-tetrahydro-2,6-naphthyridine
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COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)nc(-c3ccccc3)n2)cc1OC
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4,6-bis(3,4-dimethoxyphenyl)-2-phenylpyrimidine
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CN(C)c1ccc(-c2cccc(-c3nc4cccc5c4n3CCC5=O)c2)cc1
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2-[3-[4-(dimethylamino)phenyl]phenyl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one
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CC(N)C1CCCCN1Cc1ccc(Cl)cc1F
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1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine
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CC(C)C(CCc1ccc(CCl)cc1)(NO)c1ccccc1
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N-[1-[4-(chloromethyl)phenyl]-4-methyl-3-phenylpentan-3-yl]hydroxylamine
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CC(C)n1cnc2c(NCCCc3cn[nH]c3)nc(-c3cccnc3)nc21.Cc1nc(SCCNc2nc(-c3cccnc3)nc3c2ncn3C(C)C)n[nH]1
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N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-9-propan-2-yl-2-pyridin-3-ylpurin-6-amine;9-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]-2-pyridin-3-ylpurin-6-amine
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NCc1ccccc1OCCCN1CCC(CO)CC1
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[1-[3-[2-(aminomethyl)phenoxy]propyl]piperidin-4-yl]methanol
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C[C@H]1CCN1c1nc(N2CC(CC(=O)O)C2)c2c(n1)C(F)(F)CC2
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2-[1-[7,7-difluoro-2-[(2S)-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetic acid
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CSC(=Cc1ccc2c(c1)N(C)c1ccccc1S2)S(C)=O
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10-methyl-2-(2-methylsulfanyl-2-methylsulfinylethenyl)phenothiazine
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O=C(CCc1cccnc1)N1CCOC2(COCCN(CC3CC3)C2)C1
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1-[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-pyridin-3-ylpropan-1-one
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COc1ccc(CNC(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1OC
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[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate
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CC/C=C/C1(C)C(=O)OC(=O)C1C
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3-[(E)-but-1-enyl]-3,4-dimethyloxolane-2,5-dione
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Cc1ccc(C(=Cc2ccc(N(c3ccccc3)c3cccc(C)c3)cc2C)c2ccc(C)cc2)cc1
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4-[2,2-bis(4-methylphenyl)ethenyl]-3-methyl-N-(3-methylphenyl)-N-phenylaniline
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CC(=O)Nc1cccc(N2CC(CN)CC2=O)c1
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N-[3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
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CCOC1CC(c2ccc(OC)cc2)c2c(c3ccccc3n2C(C)=O)O1
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1-[2-ethoxy-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyrano[3,2-b]indol-5-yl]ethanone
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COc1ccc(CN(CC(=O)Nc2ccccc2SCC#N)C2CC2)cc1
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N-[2-(cyanomethylsulfanyl)phenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
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CO.Cn1cc2c(cc1=O)C1(CCN(C(=O)OC(C)(C)C)CC1)OC2
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tert-butyl 5-methyl-6-oxospiro[3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-carboxylate;methanol
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O=C1NCCN(S(=O)(=O)C2COC2)C1c1ccc(Br)cc1
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3-(4-bromophenyl)-4-(oxetan-3-ylsulfonyl)piperazin-2-one
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CC1(C)C(NC(=O)c2cnc(N3CCC(OCCOCCOCCOCCOCCOCCOCCNS(=O)(=O)c4ccc(Nc5ncc(Br)c(Nc6cccc(F)c6C(N)O)n5)cc4)CC3)nc2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1
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2-[4-[2-[2-[2-[2-[2-[2-[2-[[4-[[4-[2-[amino(hydroxy)methyl]-3-fluoroanilino]-5-bromopyrimidin-2-yl]amino]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidin-1-yl]-N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]pyrimidine-5-carboxamide
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O=C(Nc1ccc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1csnn1
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N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]thiadiazole-4-carboxamide
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Cc1ccc(-c2csc(C)n2)c(C(=O)O)n1
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6-methyl-3-(2-methyl-1,3-thiazol-4-yl)pyridine-2-carboxylic acid
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COC(=O)[C@@H](NCc1ccc(C)cc1)C(C)C
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methyl (2S)-3-methyl-2-[(4-methylphenyl)methylamino]butanoate
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CCC(C)[NH+](C)C1CCN(C(=S)Nc2cccc(SC)c2)CC1
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butan-2-yl-methyl-[1-[(3-methylsulfanylphenyl)carbamothioyl]piperidin-4-yl]azanium
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Cn1ccnc1C1CNCCN1CC(=O)NCc1ccc(Cl)s1
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N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
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Cc1ncc(C(Cc2ccc(C#N)cc2)N2CCN(NC(=O)CCc3cccc(C(F)(F)F)c3)CC2)[nH]1
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N-[4-[2-(4-cyanophenyl)-1-(2-methyl-1H-imidazol-5-yl)ethyl]piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
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CCSc1ccc(CCNCO)cc1
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[2-(4-ethylsulfanylphenyl)ethylamino]methanol
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CCCCOC(=O)C(=O)CC(=O)C=Cc1ccccc1
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butyl 2,4-dioxo-6-phenylhex-5-enoate
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CC(C)(CCNC(=O)C1CC1c1ccc(Cl)c(Cl)c1)C(=O)O
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4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylbutanoic acid
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COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Cl)c1O
|
(6R,9S)-6-(3-chloro-4-hydroxy-5-methoxyphenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
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CNCCN=CNc1nc(CSCCc2nc(C)c(CCc3ccccc3)c(=O)[nH]2)cs1
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N'-[2-(methylamino)ethyl]-N-[4-[2-[4-methyl-6-oxo-5-(2-phenylethyl)-1H-pyrimidin-2-yl]ethylsulfanylmethyl]-1,3-thiazol-2-yl]methanimidamide
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CCC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O
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3-[[benzyl-[(1R)-1-(1-benzyltetrazol-5-yl)butyl]amino]methyl]-7-methyl-1H-quinolin-2-one
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Cn1c(N)c(C(=O)c2ccc(Cl)cc2)cnc1=S
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(6-amino-1-methyl-2-sulfanylidenepyrimidin-5-yl)-(4-chlorophenyl)methanone
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Cc1cccc(Cn2c(-c3ccc(C)cc3C)cc(C(N)=O)c2C)c1
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5-(2,4-dimethylphenyl)-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide
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CCc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(Br)cc2)cc1
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7-bromo-2-(4-bromophenyl)-1-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
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Cc1ccccc1-c1noc(CN2CCN(C(=O)c3ccccc3)CC2)n1
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[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-phenylmethanone
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Cc1ccc(NC(=O)c2cc(N)c(Cl)c(Cl)c2)cc1O
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3-amino-4,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzamide
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CC(C)c1cccc(-c2cc(N)no2)c1O
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2-(3-amino-1,2-oxazol-5-yl)-6-propan-2-ylphenol
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O=C(O)c1ccn(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3Cl)CC2)n1
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1-[4-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid
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Nc1cccc(S(=O)(=O)Nc2cccc(F)c2)c1
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3-amino-N-(3-fluorophenyl)benzenesulfonamide
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NCC(=O)NCC(=O)Nc1ccc2ncsc2c1
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2-amino-N-[2-(1,3-benzothiazol-6-ylamino)-2-oxoethyl]acetamide
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COCc1c(CCC(=O)O)ccc2c1OCCO2
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3-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanoic acid
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CC1CCCN(C(=O)C2CC2C(=O)Nc2ccccc2Oc2ccccc2)C1
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2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
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COc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccc(O)cc3)sc2c1
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1-(4-hydroxyphenyl)-2-(6-methoxy-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
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c1cnc(N2CCN(CCSC3CCNCC3)CC2)nc1
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2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]pyrimidine
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CC(C)(C)CNC(=O)c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)nc1
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6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
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COc1ccc(S(=O)(=O)N(CCN2CCOCC2)Cc2cccc(Oc3ccccc3)c2)cc1
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4-methoxy-N-(2-morpholin-4-ylethyl)-N-[(3-phenoxyphenyl)methyl]benzenesulfonamide
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Cc1cccc(C)c1NC(=O)CCc1c(C)nn(-c2ccc(N3CCCCC3)nn2)c1C
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N-(2,6-dimethylphenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
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CCCCCCCCCCCCCC/C=C/OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC
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2-[[(2R)-3-[(E)-hexadec-1-enoxy]-2-nonadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
|
CCCCCCCCCCCCCCOC(C)c1ccc(-c2ccc(C(=O)Oc3ccccc3CCCC)cc2)cc1
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(2-butylphenyl) 4-[4-(1-tetradecoxyethyl)phenyl]benzoate
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CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(C)cc3)cc2)c1Br
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4-bromo-5-ethyl-2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide
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COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)cc1OC
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[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[2-(3,4-dimethoxyanilino)-2-oxoethyl]azanium
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Cc1ccc(-c2csc3ncn(CCC(=O)NCCc4cccc(F)c4)c(=O)c23)cc1
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N-[2-(3-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
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COc1cc(Cl)c(C)cc1NC(=O)NC1CCC(CO)CC1
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1-(4-chloro-2-methoxy-5-methylphenyl)-3-[4-(hydroxymethyl)cyclohexyl]urea
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O=C1N/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)N1c1ccc(Cl)cc1
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(5E)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
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O=[N+]([O-])c1ccc(NCC2(c3ccccc3)CC2)c(S(=O)(=O)N2CCCC2)c1
|
4-nitro-N-[(1-phenylcyclopropyl)methyl]-2-pyrrolidin-1-ylsulfonylaniline
|
Cc1cc(Nc2cccc(C(=O)Nc3cc(Nc4ccncc4)ccn3)c2)c2ccccc2n1
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3-[(2-methylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)pyridin-2-yl]benzamide
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C=C(C)[C@H]1CC(=O)[C@@](C)([C@H]2CCCO2)[C@H](C)C1
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(2R,3R,5R)-2,3-dimethyl-2-[(2R)-oxolan-2-yl]-5-prop-1-en-2-ylcyclohexan-1-one
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CCC(=C(SC)SC)c1ccccc1
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1,1-bis(methylsulfanyl)but-1-en-2-ylbenzene
|
CC(C)(C)OC(=O)N[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CN1C(=O)c2ccccc2C1=O
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tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamate
|
CC(C)c1ccc(C(N)CNC(=O)c2cc(C(N)=O)cn2C)cc1
|
2-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylpyrrole-2,4-dicarboxamide
|
O=C(Nc1cc(Cl)c(O)c(Cl)c1)OCc1ccccc1
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benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate
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Cc1nccn1CCCC1CCCC1
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1-(3-cyclopentylpropyl)-2-methylimidazole
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CC(C)Oc1c(O)c(=O)oc2cccc(OC(C)(C)C)c12
|
3-hydroxy-5-[(2-methylpropan-2-yl)oxy]-4-propan-2-yloxychromen-2-one
|
CC(=O)C1=CC=CC(C(C)=O)N1CCO
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1-[6-acetyl-1-(2-hydroxyethyl)-2H-pyridin-2-yl]ethanone
|
CC(C)CC1CCC2(CCC2)CC1.CC(C)Cc1cc(Cl)c(F)c(Cl)c1.CC(C)Cc1cc(Cl)c(F)cc1F.CC(C)Cc1cc(Cl)ccc1C(F)(F)F.CC(C)Cc1cc(F)c(Cl)cc1Cl.CC(C)Cc1ccc(S(C)(=O)=O)cc1Cl.CC(C)Cc1cccc(-c2ccccc2)c1.CC(C)Cc1ccccc1-c1ccccc1.CC(C)Oc1cc(C(F)(F)F)c(Cl)cn1.CC(C)Oc1cc(C(F)(F)F)cc(Cl)c1F.CCc1cc(F)c(F)c(Cl)c1.CCc1ccc(C)c(Cl)c1.COc1cc(C)ccc1CC(C)C.Cc1cc(C)cc(CC(C)C)c1.Cc1ccc(CC(C)C)cc1C.Cc1cccc(CC(C)C)c1
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1-chloro-2,4-difluoro-5-(2-methylpropyl)benzene;1-chloro-5-ethyl-2,3-difluorobenzene;2-chloro-4-ethyl-1-methylbenzene;1-chloro-2-fluoro-3-propan-2-yloxy-5-(trifluoromethyl)benzene;2-chloro-1-(2-methylpropyl)-4-methylsulfonylbenzene;4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene;5-chloro-2-propan-2-yloxy-4-(trifluoromethyl)pyridine;1,3-dichloro-2-fluoro-5-(2-methylpropyl)benzene;1,5-dichloro-2-fluoro-4-(2-methylpropyl)benzene;1,2-dimethyl-4-(2-methylpropyl)benzene;1,3-dimethyl-5-(2-methylpropyl)benzene;2-methoxy-4-methyl-1-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-2-phenylbenzene;1-(2-methylpropyl)-3-phenylbenzene;7-(2-methylpropyl)spiro[3.5]nonane
|
Cc1ccc(N2C(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)C(=O)NC2=S)cc1C
|
(5Z)-1-(3,4-dimethylphenyl)-5-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
|
Cc1cc(CCN)ccc1Oc1ccccc1C(C)C
|
2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine
|
CSc1nc2c(N)nc3ccccc3c2n1Cc1ccc(Cn2cccn2)c(C)c1
|
1-[[3-methyl-4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-methylsulfanylimidazo[4,5-c]quinolin-4-amine
|
[2H]c1cc2c(c([2H])c1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@]2([2H])O.[Na+]
|
sodium;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S,16R,17R)-2,4,17-trideuterio-16,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylate
|
CC[C@@]1(CN=[N+]=[N-])O[C@@H](n2cc(I)c(=O)[nH]c2=O)[C@H](F)[C@@H]1C.CC[C@@]1(CN=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1C.C[C@H]1[C@@H](F)[C@H](n2ccc(=O)[nH]c2=O)O[C@@]1(CO)CN=[N+]=[N-].[2H]c1cn([C@@H]2O[C@@](CC)(CN=[N+]=[N-])[C@@H](C)[C@H]2F)c(=O)[nH]c1=N.[2H]c1cn([C@@H]2O[C@@](CC)(CN=[N+]=[N-])[C@@H](C)[C@H]2F)c(=O)[nH]c1=O.[2H]c1cn([C@@H]2O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]2F)c(=O)[nH]c1=N.[N-]=[N+]=NC[C@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1O
|
1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-deuterio-4-iminopyrimidin-2-one;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-deuteriopyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-iodopyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-deuterio-4-iminopyrimidin-2-one;1-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
|
COC(=O)/C=C\n1nnn(CC(C)(C)C)c1=O
|
methyl (Z)-3-[4-(2,2-dimethylpropyl)-5-oxotetrazol-1-yl]prop-2-enoate
|
O=C(O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(F)c2)C1
|
(3R)-1-[(3-fluorophenyl)methylsulfonyl]piperidine-3-carboxylic acid
|
O=C(O)C(F)(F)F.O=C(O)c1n[nH]nc1Sc1ccc(-c2ccc(N3CCC(F)(F)CC3)cc2)cc1
|
5-[4-[4-(4,4-difluoropiperidin-1-yl)phenyl]phenyl]sulfanyl-2H-triazole-4-carboxylic acid;2,2,2-trifluoroacetic acid
|
COc1cc(N)ccc1C(=O)NCCCN1CCN(CCO)CC1
|
4-amino-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-methoxybenzamide
|
O=C1CC(c2ccc(O)c(C3C[C@@H](O)C(O)[C@@H](CO)O3)c2)Oc2cc(O)cc(O)c21
|
2-[3-[(4R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
Cc1ccc2nc(C(C)Cl)n(CCCn3cccn3)c2n1
|
2-(1-chloroethyl)-5-methyl-3-(3-pyrazol-1-ylpropyl)imidazo[4,5-b]pyridine
|
O=C(Nc1sc(N/N=C\c2ccccc2Cl)nc1-c1ccc(Cl)cc1)c1ccco1
|
N-[4-(4-chlorophenyl)-2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]furan-2-carboxamide
|
CC(NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccccc1Cl
|
N-[1-(2-chlorophenyl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
|
CC.Cc1cc(-c2ccsc2)n[nH]1
|
ethane;5-methyl-3-thiophen-3-yl-1H-pyrazole
|
CC(c1ccncc1)N(C)S(=O)(=O)c1csc(C(=O)O)c1
|
4-[methyl(1-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid
|
Cc1oc2ncnc(NC(=O)[C@@H]3CC(=O)N(CC4CC4)C3)c2c1C
|
(3R)-1-(cyclopropylmethyl)-N-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
|
CN1CCc2cc(-c3cnc4nc(C(=O)O)cn4c3)cnc21
|
6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
|
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(C(=O)NC2CCCCC2)c1
|
2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-[(4-nitrophenyl)carbamoylamino]benzamide
|
Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCN[C@H](c3ccccc3)C2)n(C)n1
|
[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrazol-3-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone
|
CCCCN(Cc1cc(C(N)=S)ccc1F)C1CC1
|
3-[[butyl(cyclopropyl)amino]methyl]-4-fluorobenzenecarbothioamide
|
NN1N=CCC1c1ccsc1
|
3-thiophen-3-yl-3,4-dihydropyrazol-2-amine
|
O=C(c1cn(Cc2ccccc2F)nn1)N1CCCC(OCc2ccccn2)C1
|
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
|
CC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2cccc(C(C)=O)c2)c1=O
|
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-acetylphenyl)acetamide
|
CS(=O)(=O)N1CCC(C(=O)NC2CC3CC2C2CCCC32)CC1
|
1-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide
|
CS(=O)(=O)N1CCN(CC2CCCCN2)CC1
|
1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine
|
COc1cc(Nc2ncc(Cl)c(N3CCc4sccc4C3)n2)ccc1N1CCC(N2CCN(C)CC2)CC1
|
5-chloro-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine
|
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