AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-2

SMILES stringlengths 2 859	IUPAC stringlengths 6 1.34k
CNC(=O)COc1cccc(NC2CCC(O)CC2)c1	2-[3-[(4-hydroxycyclohexyl)amino]phenoxy]-N-methylacetamide
C/C=C\C(C=O)=C/C(F)=C/C(C)CBr	(2E,4Z)-7-bromo-4-fluoro-6-methyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienal
Cc1nn(C)c(C)c1-c1ccc(C[n+]2cc(C(=O)NC(=O)Nc3cncc(C(F)(F)F)c3)on2)nc1	N-[[5-(trifluoromethyl)pyridin-3-yl]carbamoyl]-3-[[5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]methyl]oxadiazol-3-ium-5-carboxamide
Cc1cc(C)c(C(C)C)c(N)c1	3,5-dimethyl-2-propan-2-ylaniline
O=C(CCC1CCNC1)Nc1ccn(-c2ccccc2)n1	N-(1-phenylpyrazol-3-yl)-3-pyrrolidin-3-ylpropanamide
CN1C2CCCC1CC(Nc1nccc(C(N)=S)n1)C2	2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyrimidine-4-carbothioamide
CCOc1ccc(CNCCN2CCOCC2)cc1Cl	N-[(3-chloro-4-ethoxyphenyl)methyl]-2-morpholin-4-ylethanamine
C.CCCCCCCCCCCCOCCOS(=O)(=O)[O-].CCCCCCCCCCCCOCCOS(=O)(=O)[O-]	2-dodecoxyethyl sulfate;methane
Cc1nc(-c2ccc3c(c2)CCC(C)N3)c(F)[nH]1	6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-methyl-1,2,3,4-tetrahydroquinoline
CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(-c4ccc(OC[C@H](O)CF)nc4)cccc32)cc1	(3S)-3-ethoxy-3-[4-[[(1R)-4-[6-[(2S)-3-fluoro-2-hydroxypropoxy]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]propanoic acid
COc1ccc(-c2nc(CC(=O)OCC(=O)NC(C)C(C)C)cs2)cc1OC	[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CCC1(CC)CC(S)C(CC(C)C)C1C	4,4-diethyl-3-methyl-2-(2-methylpropyl)cyclopentane-1-thiol
C#CC.C=CCN(C)/C(=C\CCC)C(=O)Nc1cc(C(C)(C)C)ccc1OC.CC=O	acetaldehyde;(Z)-N-(5-tert-butyl-2-methoxyphenyl)-2-[methyl(prop-2-enyl)amino]hex-2-enamide;prop-1-yne
c1ccc2c(c1)-c1cc3sc4c(-n5c6ccccc6c6ccccc65)cccc4c3cc1-c1ccccc1[Si]21c2ccccc2-c2cc3sc4c(-n5c6ccccc6c6ccccc65)cccc4c3cc2-c2ccccc21	9-(22'-carbazol-9-yl-8,8'-spirobi[24-thia-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18(23),19,21,25-dodecaene]-22-yl)carbazole
CCCN(CC(=O)O)c1nc(C)c(S(N)(=O)=O)s1	2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-propylamino]acetic acid
CC(C)Cn1c(/C=C/c2ccc(F)cc2)nc2ccccc21	2-[(E)-2-(4-fluorophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole
CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@H](NC(=O)NCCCCCCCCCCCCCC)C(=O)N[C@@H](CC#N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)OC(=O)CCCCCCCCCCCCCCC	[3-[(2R)-3-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-cyano-1-oxopropan-2-yl]amino]-3-oxo-2-(tetradecylcarbamoylamino)propyl]sulfanyl-2-hexadecanoyloxypropyl] hexadecanoate
CC(C)(C)c1ccc(-c2csc(NS(=O)(=O)c3cc(Cl)ccc3Cl)n2)cc1	N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,5-dichlorobenzenesulfonamide
CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2cc(Cl)nc(-n3c(C)ccc3C)n2)C1	tert-butyl N-[(3R)-1-[6-chloro-2-(2,5-dimethylpyrrol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-N-ethylcarbamate
CCOC(=O)CNCc1ccc(C(F)(F)F)nc1	ethyl 2-[[6-(trifluoromethyl)pyridin-3-yl]methylamino]acetate
CCN(CCNCC(C)OC)C1CC1	N'-cyclopropyl-N'-ethyl-N-(2-methoxypropyl)ethane-1,2-diamine
COc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2cc(-n3ccnc3)nc(C)n2)cc1	5-chloro-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-methoxybenzamide
COC1N=C(C)NC1(C)C	4-methoxy-2,5,5-trimethyl-1,4-dihydroimidazole
[O-][Cl+2]([O-])O[Cl+3]([O-])([O-])[O-]	chloryl perchlorate
Cc1cccc2c1C(=O)C(=CC=CC=CC1=C([O-])c3cccc(C)c3C1=O)C2=O	4-methyl-2-[5-(4-methyl-1,3-dioxoinden-2-ylidene)penta-1,3-dienyl]-3-oxoinden-1-olate
FC(F)(F)Cc1cc2c(N3CCC4(CN(CC5CCCCC5)C4)C3)ncnc2s1	4-[2-(cyclohexylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
C[C@@]1(c2nnc(-c3cccnc3Nc3ccc(C(F)(F)F)cn3)o2)CCNC1=O	(3S)-3-methyl-3-[5-[2-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
CCN(CC)CC(O)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1	1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(diethylamino)propan-2-ol
O=C(O)C1OC(Oc2cc(O)c(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2O)C(O)C(O)C1O	6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)-2,5-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
COC[C@@H]1CCCN1/N=N/N1CCC[C@H]1COC	(E)-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]diazene
CC(C)c1ccc(C(C)NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1	3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
c1ccc(-c2cccc3cccc(-c4ccc(-c5ccc(N(c6ccccc6)c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)cc4)c23)cc1	3-carbazol-9-yl-N-phenyl-N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]aniline
Cc1cccc(C2=C(c3ccc4c(c3)C=C(/C3=C/C/C=C(\C(=O)C5CCNCC5)CCC3)[CH+]C/C=C/4)CC=CN2)n1	[(1Z,4E)-5-[(9E)-3-[2-(6-methylpyridin-2-yl)-1,4-dihydropyridin-3-yl]-7,8-dihydrobenzo[8]annulen-7-ylium-6-yl]cycloocta-1,4-dien-1-yl]-piperidin-4-ylmethanone
Cc1cc(C)c2sc(N(CC[NH+](C)C)C(=O)c3ccccc3[N+](=O)[O-])nc2c1	2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(2-nitrobenzoyl)amino]ethyl-dimethylazanium
N[C@@H](c1nc(-c2cccnc2)no1)c1ccccc1Cl	(R)-(2-chlorophenyl)-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine
N=C(N)c1cc(Br)ccc1CBr	5-bromo-2-(bromomethyl)benzenecarboximidamide
CCN(CC)CCCNCC(C)N	1-N-[3-(diethylamino)propyl]propane-1,2-diamine
CO[C@H](CCN(C)CF)COc1ccccc1CCc1cccc(OC(F)(F)F)c1	(3R)-N-(fluoromethyl)-3-methoxy-N-methyl-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-1-amine
COc1ccc2oc(OC)c(OC)c(=O)c2c1OC	2,3,5,6-tetramethoxychromen-4-one
[N-]=[N+]=Nc1ccc(-c2csc(NN=C(Cc3ccccc3[N+](=O)[O-])C(=O)O)n2)cc1	2-[[4-(4-azidophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-(2-nitrophenyl)propanoic acid
COc1ccccc1-c1nc(C(=O)Oc2cccc(C(C)=O)c2)cs1	(3-acetylphenyl) 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylate
CC1(C)COc2cc(-c3cnn(Cc4ccccc4)c3)ccc2C1NC(=O)O[C@@H]1CN2CCC1CC2	[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[7-(1-benzylpyrazol-4-yl)-3,3-dimethyl-2,4-dihydrochromen-4-yl]carbamate
O=C(NCCN1CCCC1)c1csc(Nc2ncc(NC(=O)c3cc(O)ccc3Cl)cn2)n1	2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
COc1ccc2cc(COC(=O)C(NC(C)=O)C(C)C)ccc2c1	(6-methoxynaphthalen-2-yl)methyl 2-acetamido-3-methylbutanoate
CCn1cc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)n1	2-amino-4-(1-ethyl-3-methylpyrazol-4-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CCC(=O)N1CCCC(C(=O)NC(c2ccc(Cl)cc2)c2ccsc2)C1	N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-1-propanoylpiperidine-3-carboxamide
CNC(=O)c1ccc2c(c1)c1c(N)ncnc1n2CC(=O)N1[C@@H]2CC2C[C@H]1C(=O)Nc1cccc(Br)n1	4-amino-9-[2-[(1R,3S)-3-[(6-bromopyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-N-methylpyrimido[4,5-b]indole-6-carboxamide
Cc1cccc(N[C@H](c2ccc(Cl)cc2)c2c(NC(=O)c3ccco3)sc(C)c2C)n1	N-[3-[(R)-(4-chlorophenyl)-[(6-methylpyridin-2-yl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CCCCCSc1nsc(NC(=O)O)c1C(N)=O	(4-carbamoyl-3-pentylsulfanyl-1,2-thiazol-5-yl)carbamic acid
Cc1nc(-c2ccc(C3(C)CC3)cc2)ncc1C(=O)C[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)C[C@@H](C)C(=O)N[C@H](C(=O)O)Cc2ccc(OC[C@@H](O)CN)c(c2)-c2cc1cc(OC[C@@H](O)CN)c2O	(8S,11R,14S)-14-[[(2R)-2-(2-aminoethyl)-4-[4-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidin-5-yl]-4-oxobutanoyl]-methylamino]-3,17-bis[(2S)-3-amino-2-hydroxypropoxy]-18-hydroxy-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid
CC(O)CC(C)NC(=O)CNC(=O)c1cccc(Cl)c1	3-chloro-N-[2-(4-hydroxypentan-2-ylamino)-2-oxoethyl]benzamide
COc1ncccc1CN1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)N2C)C1	(2R,3aS,7aR)-5-[(2-methoxypyridin-3-yl)methyl]-1-methyl-2-(pyrazol-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
c1ccc(C2(c3ccccc3)c3ccc(Oc4ccccn4)cc3-c3cc(Oc4ccccn4)ccc32)cc1	2-(9,9-diphenyl-6-pyridin-2-yloxyfluoren-3-yl)oxypyridine
[2H]C([2H])([2H])Cc1c(C(=O)NN2CCC(F)(F)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1	5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-N-(4,4-difluoropiperidin-1-yl)-4-(2,2,2-trideuterioethyl)pyrazole-3-carboxamide
Fc1ccc(N2CCOCC2)c(CNC2CCCC2C2COCCN2)c1	N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
NC(=O)OCCNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1	2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]ethyl carbamate
CCCCC(CCCC)NNC(=O)c1cccnc1OCC	2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide
Cc1ccc(S(=O)(=O)OC[C@@H](O)C[C@@H](CO)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1	[(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2,5-dihydroxypentyl] 4-methylbenzenesulfonate
CC(=CC(=O)O)CN1CCc2sccc2C1C	3-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)but-2-enoic acid
COCCN([In](C)C)C(C)(C)C	N-dimethylindiganyl-N-(2-methoxyethyl)-2-methylpropan-2-amine
Cc1c(CNCC2CCOCC2)n(C)c2c(F)c(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)ccc12	N-[7-fluoro-1,3-dimethyl-2-[(oxan-4-ylmethylamino)methyl]indol-6-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CCCCN1C2=C(C=O)CCCC2(Cc2ccccc2)c2c1ccc1ccc(Br)cc21	11a-benzyl-2-bromo-7-butyl-10,11-dihydro-9H-benzo[g]carbazole-8-carbaldehyde
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(CCC)S(=O)(=O)[O-].[Na+]	sodium;1-(2-undecoxycarbonylbenzoyl)oxybutane-1-sulfonate
CCCN1CCC(N(C(=O)c2cccs2)c2ccc3c(c2)CCN3C(C)=O)CC1	N-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide
CCN1CCC(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3)n2)CC1	2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide
CC(C)c1cccc(Cl)c1-n1cnc(N)nc1=O	4-amino-1-(2-chloro-6-propan-2-ylphenyl)-1,3,5-triazin-2-one
COc1ccccc1NC(=O)[C@H]1[C@@H](c2cccs2)n2ncnc2N[C@@H]1C	(5R,6R,7S)-N-(2-methoxyphenyl)-5-methyl-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CC(=O)NCCCCCC(C(=O)CO)N(C(=O)CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)C(C)(C)C	N-[2-[(8-acetamido-1-hydroxy-2-oxooctan-3-yl)-tert-butylamino]-2-oxoethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CC(O)C1NC(=O)[C@@H](NC(=O)c2ccc(-c3nnc(-c4ccc(OCCCOc5ccccc5)cc4)s3)cc2)CC(O)CNC(=O)C2C(O)C(C)CN2C(=O)C(C(O)CC(N)=O)NC(=O)C(C(O)C(O)c2ccc(O)c(OSOOO)c2)NC(=O)C2CC(O)CN2C1=O	N-[(18S)-3-(3-amino-1-hydroxy-3-oxopropyl)-6-[1,2-dihydroxy-2-[4-hydroxy-3-(trioxidanylsulfanyloxy)phenyl]ethyl]-11,20,25-trihydroxy-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[5-[4-(3-phenoxypropoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzamide
CCC1(C)CN(C2(C)CC2)C(C(C)C)CN1	5-ethyl-5-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylpiperazine
Fc1ccc([S-])cc1F	3,4-difluorobenzenethiolate
Cc1noc(C(NCc2ccc(Cl)c(F)c2)C2CCOCC2)n1	N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
CCc1nn(C)c(CC(N)C2CCC(CC)C2)c1Cl	2-(4-chloro-5-ethyl-2-methylpyrazol-3-yl)-1-(3-ethylcyclopentyl)ethanamine
Fc1ccc(C=C(c2ccc(OCc3ccc4ccccc4n3)cc2)c2nnco2)c(F)c1	2-[2-(2,4-difluorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazole
CN(C(=O)CC(C)(C)C)[C@@H]1CNC[C@H]1O	N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,3,3-trimethylbutanamide
Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(NBr)C4)c(Cl)c32)c(F)cc1F	1-(6-amino-3,5-difluoropyridin-2-yl)-7-[3-(bromoamino)azetidin-1-yl]-8-chloro-6-fluoro-4-oxoquinoline-3-carboxylic acid
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NCCC(C)C)cc1	[2-(3-methylbutylamino)-2-oxoethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate
C1=CN2C(c3cccs3)=C(c3cccs3)c3ccccc3N2C=C1	6,7-dithiophen-2-ylpyridazino[1,2-a]cinnoline
COc1ccc(-c2nn(-c3ccccc3)cc2CSC(C)C(=O)Nc2cc(C)on2)cc1	2-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
COc1cccc(C(=O)N2CCCN(C(=O)c3ccncc3)C2C(=O)NCCN)c1	N-(2-aminoethyl)-1-(3-methoxybenzoyl)-3-(pyridine-4-carbonyl)-1,3-diazinane-2-carboxamide
CC(C)(C)[Si](O[C@@H]1CC(c2coc(C#N)c2N)C[C@H]1COCc1ccccc1)(c1ccccc1)c1ccccc1	3-amino-4-[(3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-(phenylmethoxymethyl)cyclopentyl]furan-2-carbonitrile
CCC[C@@H](C)[C@H]1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@@H](CC)[C@H]3O	(3R,5S,6R,7R,10S,12S,13R,17R)-6-ethyl-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
CC(O)Cc1ccnc(Br)c1	1-(2-bromopyridin-4-yl)propan-2-ol
NC(CO)CCC(c1ccccc1)C(F)(F)F	2-amino-6,6,6-trifluoro-5-phenylhexan-1-ol
CCc1ccc2c(OC(=O)OCC(C)C)c3ccccc3c(OC(=O)OCC(C)C)c2c1CC	[1,2-diethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate
CCOC(=O)[C@H](Cc1c[nH]c2ncccc12)NC(=O)OCC1c2ccccc2-c2ccccc21	ethyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CC(=O)Cc1cccc(C#CC#N)c1	3-[3-(2-oxopropyl)phenyl]prop-2-ynenitrile
CCCC(CC)CC(C)NC	4-ethyl-N-methylheptan-2-amine
COCc1cc(C2(CN)C3CCN(C(=O)OC(C)(C)C)CC32)no1	tert-butyl 7-(aminomethyl)-7-[5-(methoxymethyl)-1,2-oxazol-3-yl]-3-azabicyclo[4.1.0]heptane-3-carboxylate
CCOC(=O)N1C2CCC1CC(C1C=CCCC1)C2	ethyl 3-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c(Br)cccc12)C(=O)O	(2R)-3-(7-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Cn1c(Sc2nc(C3CC3)ns2)nc2sc3c(c2c1=O)CCCC3	2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
C[C@@H](O)CNS(=O)(=O)c1cc(N)c(Br)cc1F	5-amino-4-bromo-2-fluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5CC=C5[C@@H]7CC(C)(C)[C@@H](O)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@]7(C)CC[C@]56C)[C@@]4(C)CO)O[C@H](C(=O)O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
O=C(O)C1CC[C@@H](O)CN1	(5R)-5-hydroxypiperidine-2-carboxylic acid
O=CNCCCNC(=O)c1ncc[nH]1	N-(3-formamidopropyl)-1H-imidazole-2-carboxamide
CC(C)=CCOc1c(O)cc(-c2c(C)cc(-c3ccc(O)cc3)c(C)c2O)cc1I	2-[3-hydroxy-5-iodo-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethylphenol
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C\c3nc(O)c([N+](=O)[O-])c(=O)[nH]3)o2)c1	5-[5-[(Z)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzene-1,3-dicarboxylic acid
COCC(=O)N1CCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)CC1	1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]sulfonylurea
COc1ccc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1OC	(7S)-7-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione

CNC(=O)COc1cccc(NC2CCC(O)CC2)c1

2-[3-[(4-hydroxycyclohexyl)amino]phenoxy]-N-methylacetamide

C/C=C\C(C=O)=C/C(F)=C/C(C)CBr

(2E,4Z)-7-bromo-4-fluoro-6-methyl-2-[(Z)-prop-1-enyl]hepta-2,4-dienal

Cc1nn(C)c(C)c1-c1ccc(C[n+]2cc(C(=O)NC(=O)Nc3cncc(C(F)(F)F)c3)on2)nc1

N-[[5-(trifluoromethyl)pyridin-3-yl]carbamoyl]-3-[[5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]methyl]oxadiazol-3-ium-5-carboxamide

Cc1cc(C)c(C(C)C)c(N)c1

3,5-dimethyl-2-propan-2-ylaniline

O=C(CCC1CCNC1)Nc1ccn(-c2ccccc2)n1

N-(1-phenylpyrazol-3-yl)-3-pyrrolidin-3-ylpropanamide

CN1C2CCCC1CC(Nc1nccc(C(N)=S)n1)C2

2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyrimidine-4-carbothioamide

CCOc1ccc(CNCCN2CCOCC2)cc1Cl

N-[(3-chloro-4-ethoxyphenyl)methyl]-2-morpholin-4-ylethanamine

C.CCCCCCCCCCCCOCCOS(=O)(=O)[O-].CCCCCCCCCCCCOCCOS(=O)(=O)[O-]

2-dodecoxyethyl sulfate;methane

Cc1nc(-c2ccc3c(c2)CCC(C)N3)c(F)[nH]1

6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-methyl-1,2,3,4-tetrahydroquinoline

CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(-c4ccc(OC[C@H](O)CF)nc4)cccc32)cc1

(3S)-3-ethoxy-3-[4-[[(1R)-4-[6-[(2S)-3-fluoro-2-hydroxypropoxy]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]propanoic acid

COc1ccc(-c2nc(CC(=O)OCC(=O)NC(C)C(C)C)cs2)cc1OC

[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate

CCC1(CC)CC(S)C(CC(C)C)C1C

4,4-diethyl-3-methyl-2-(2-methylpropyl)cyclopentane-1-thiol

C#CC.C=CCN(C)/C(=C\CCC)C(=O)Nc1cc(C(C)(C)C)ccc1OC.CC=O

acetaldehyde;(Z)-N-(5-tert-butyl-2-methoxyphenyl)-2-[methyl(prop-2-enyl)amino]hex-2-enamide;prop-1-yne

c1ccc2c(c1)-c1cc3sc4c(-n5c6ccccc6c6ccccc65)cccc4c3cc1-c1ccccc1[Si]21c2ccccc2-c2cc3sc4c(-n5c6ccccc6c6ccccc65)cccc4c3cc2-c2ccccc21

9-(22'-carbazol-9-yl-8,8'-spirobi[24-thia-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18(23),19,21,25-dodecaene]-22-yl)carbazole

CCCN(CC(=O)O)c1nc(C)c(S(N)(=O)=O)s1

2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-propylamino]acetic acid

CC(C)Cn1c(/C=C/c2ccc(F)cc2)nc2ccccc21

2-[(E)-2-(4-fluorophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole

CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@H](NC(=O)NCCCCCCCCCCCCCC)C(=O)N[C@@H](CC#N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)OC(=O)CCCCCCCCCCCCCCC

[3-[(2R)-3-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-cyano-1-oxopropan-2-yl]amino]-3-oxo-2-(tetradecylcarbamoylamino)propyl]sulfanyl-2-hexadecanoyloxypropyl] hexadecanoate

CC(C)(C)c1ccc(-c2csc(NS(=O)(=O)c3cc(Cl)ccc3Cl)n2)cc1

N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,5-dichlorobenzenesulfonamide

CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2cc(Cl)nc(-n3c(C)ccc3C)n2)C1

tert-butyl N-[(3R)-1-[6-chloro-2-(2,5-dimethylpyrrol-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-N-ethylcarbamate

CCOC(=O)CNCc1ccc(C(F)(F)F)nc1

ethyl 2-[[6-(trifluoromethyl)pyridin-3-yl]methylamino]acetate

CCN(CCNCC(C)OC)C1CC1

N'-cyclopropyl-N'-ethyl-N-(2-methoxypropyl)ethane-1,2-diamine

COc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2cc(-n3ccnc3)nc(C)n2)cc1

5-chloro-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-methoxybenzamide

COC1N=C(C)NC1(C)C

4-methoxy-2,5,5-trimethyl-1,4-dihydroimidazole

[O-][Cl+2]([O-])O[Cl+3]([O-])([O-])[O-]

chloryl perchlorate

Cc1cccc2c1C(=O)C(=CC=CC=CC1=C([O-])c3cccc(C)c3C1=O)C2=O

4-methyl-2-[5-(4-methyl-1,3-dioxoinden-2-ylidene)penta-1,3-dienyl]-3-oxoinden-1-olate

FC(F)(F)Cc1cc2c(N3CCC4(CN(CC5CCCCC5)C4)C3)ncnc2s1

4-[2-(cyclohexylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

C[C@@]1(c2nnc(-c3cccnc3Nc3ccc(C(F)(F)F)cn3)o2)CCNC1=O

(3S)-3-methyl-3-[5-[2-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one

CCN(CC)CC(O)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1

1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(diethylamino)propan-2-ol

O=C(O)C1OC(Oc2cc(O)c(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2O)C(O)C(O)C1O

6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)-2,5-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

COC[C@@H]1CCCN1/N=N/N1CCC[C@H]1COC

(E)-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]diazene

CC(C)c1ccc(C(C)NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1

3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide

c1ccc(-c2cccc3cccc(-c4ccc(-c5ccc(N(c6ccccc6)c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)cc4)c23)cc1

3-carbazol-9-yl-N-phenyl-N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]aniline

Cc1cccc(C2=C(c3ccc4c(c3)C=C(/C3=C/C/C=C(\C(=O)C5CCNCC5)CCC3)[CH+]C/C=C/4)CC=CN2)n1

[(1Z,4E)-5-[(9E)-3-[2-(6-methylpyridin-2-yl)-1,4-dihydropyridin-3-yl]-7,8-dihydrobenzo[8]annulen-7-ylium-6-yl]cycloocta-1,4-dien-1-yl]-piperidin-4-ylmethanone

Cc1cc(C)c2sc(N(CC[NH+](C)C)C(=O)c3ccccc3[N+](=O)[O-])nc2c1

2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(2-nitrobenzoyl)amino]ethyl-dimethylazanium

N[C@@H](c1nc(-c2cccnc2)no1)c1ccccc1Cl

(R)-(2-chlorophenyl)-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine

N=C(N)c1cc(Br)ccc1CBr

5-bromo-2-(bromomethyl)benzenecarboximidamide

CCN(CC)CCCNCC(C)N

1-N-[3-(diethylamino)propyl]propane-1,2-diamine

CO[C@H](CCN(C)CF)COc1ccccc1CCc1cccc(OC(F)(F)F)c1

(3R)-N-(fluoromethyl)-3-methoxy-N-methyl-4-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-1-amine

COc1ccc2oc(OC)c(OC)c(=O)c2c1OC

2,3,5,6-tetramethoxychromen-4-one

[N-]=[N+]=Nc1ccc(-c2csc(NN=C(Cc3ccccc3[N+](=O)[O-])C(=O)O)n2)cc1

2-[[4-(4-azidophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-(2-nitrophenyl)propanoic acid

COc1ccccc1-c1nc(C(=O)Oc2cccc(C(C)=O)c2)cs1

(3-acetylphenyl) 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylate

CC1(C)COc2cc(-c3cnn(Cc4ccccc4)c3)ccc2C1NC(=O)O[C@@H]1CN2CCC1CC2

[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[7-(1-benzylpyrazol-4-yl)-3,3-dimethyl-2,4-dihydrochromen-4-yl]carbamate

O=C(NCCN1CCCC1)c1csc(Nc2ncc(NC(=O)c3cc(O)ccc3Cl)cn2)n1

2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide

COc1ccc2cc(COC(=O)C(NC(C)=O)C(C)C)ccc2c1

(6-methoxynaphthalen-2-yl)methyl 2-acetamido-3-methylbutanoate

CCn1cc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)n1

2-amino-4-(1-ethyl-3-methylpyrazol-4-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile

CCC(=O)N1CCCC(C(=O)NC(c2ccc(Cl)cc2)c2ccsc2)C1

N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-1-propanoylpiperidine-3-carboxamide

CNC(=O)c1ccc2c(c1)c1c(N)ncnc1n2CC(=O)N1[C@@H]2CC2C[C@H]1C(=O)Nc1cccc(Br)n1

4-amino-9-[2-[(1R,3S)-3-[(6-bromopyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-N-methylpyrimido[4,5-b]indole-6-carboxamide

Cc1cccc(N[C@H](c2ccc(Cl)cc2)c2c(NC(=O)c3ccco3)sc(C)c2C)n1

N-[3-[(R)-(4-chlorophenyl)-[(6-methylpyridin-2-yl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide

CCCCCSc1nsc(NC(=O)O)c1C(N)=O

(4-carbamoyl-3-pentylsulfanyl-1,2-thiazol-5-yl)carbamic acid

Cc1nc(-c2ccc(C3(C)CC3)cc2)ncc1C(=O)C[C@@H](CCN)C(=O)N(C)[C@@H]1C(=O)C[C@@H](C)C(=O)N[C@H](C(=O)O)Cc2ccc(OC[C@@H](O)CN)c(c2)-c2cc1cc(OC[C@@H](O)CN)c2O

(8S,11R,14S)-14-[[(2R)-2-(2-aminoethyl)-4-[4-methyl-2-[4-(1-methylcyclopropyl)phenyl]pyrimidin-5-yl]-4-oxobutanoyl]-methylamino]-3,17-bis[(2S)-3-amino-2-hydroxypropoxy]-18-hydroxy-11-methyl-10,13-dioxo-9-azatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid

CC(O)CC(C)NC(=O)CNC(=O)c1cccc(Cl)c1

3-chloro-N-[2-(4-hydroxypentan-2-ylamino)-2-oxoethyl]benzamide

COc1ncccc1CN1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)N2C)C1

(2R,3aS,7aR)-5-[(2-methoxypyridin-3-yl)methyl]-1-methyl-2-(pyrazol-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine

c1ccc(C2(c3ccccc3)c3ccc(Oc4ccccn4)cc3-c3cc(Oc4ccccn4)ccc32)cc1

2-(9,9-diphenyl-6-pyridin-2-yloxyfluoren-3-yl)oxypyridine

[2H]C([2H])([2H])Cc1c(C(=O)NN2CCC(F)(F)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1

5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-N-(4,4-difluoropiperidin-1-yl)-4-(2,2,2-trideuterioethyl)pyrazole-3-carboxamide

Fc1ccc(N2CCOCC2)c(CNC2CCCC2C2COCCN2)c1

N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine

NC(=O)OCCNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1

2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]ethyl carbamate

CCCCC(CCCC)NNC(=O)c1cccnc1OCC

2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide

Cc1ccc(S(=O)(=O)OC[C@@H](O)C[C@@H](CO)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1

[(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2,5-dihydroxypentyl] 4-methylbenzenesulfonate

CC(=CC(=O)O)CN1CCc2sccc2C1C

3-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)but-2-enoic acid

COCCN([In](C)C)C(C)(C)C

N-dimethylindiganyl-N-(2-methoxyethyl)-2-methylpropan-2-amine

Cc1c(CNCC2CCOCC2)n(C)c2c(F)c(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)ccc12

N-[7-fluoro-1,3-dimethyl-2-[(oxan-4-ylmethylamino)methyl]indol-6-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

CCCCN1C2=C(C=O)CCCC2(Cc2ccccc2)c2c1ccc1ccc(Br)cc21

11a-benzyl-2-bromo-7-butyl-10,11-dihydro-9H-benzo[g]carbazole-8-carbaldehyde

CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(CCC)S(=O)(=O)[O-].[Na+]

sodium;1-(2-undecoxycarbonylbenzoyl)oxybutane-1-sulfonate

CCCN1CCC(N(C(=O)c2cccs2)c2ccc3c(c2)CCN3C(C)=O)CC1

N-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide

CCN1CCC(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3)n2)CC1

2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide

CC(C)c1cccc(Cl)c1-n1cnc(N)nc1=O

4-amino-1-(2-chloro-6-propan-2-ylphenyl)-1,3,5-triazin-2-one

COc1ccccc1NC(=O)[C@H]1[C@@H](c2cccs2)n2ncnc2N[C@@H]1C

(5R,6R,7S)-N-(2-methoxyphenyl)-5-methyl-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

CC(=O)NCCCCCC(C(=O)CO)N(C(=O)CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)C(C)(C)C

N-[2-[(8-acetamido-1-hydroxy-2-oxooctan-3-yl)-tert-butylamino]-2-oxoethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide

CC(O)C1NC(=O)[C@@H](NC(=O)c2ccc(-c3nnc(-c4ccc(OCCCOc5ccccc5)cc4)s3)cc2)CC(O)CNC(=O)C2C(O)C(C)CN2C(=O)C(C(O)CC(N)=O)NC(=O)C(C(O)C(O)c2ccc(O)c(OSOOO)c2)NC(=O)C2CC(O)CN2C1=O

N-[(18S)-3-(3-amino-1-hydroxy-3-oxopropyl)-6-[1,2-dihydroxy-2-[4-hydroxy-3-(trioxidanylsulfanyloxy)phenyl]ethyl]-11,20,25-trihydroxy-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[5-[4-(3-phenoxypropoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzamide

CCC1(C)CN(C2(C)CC2)C(C(C)C)CN1

5-ethyl-5-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylpiperazine

Fc1ccc([S-])cc1F

3,4-difluorobenzenethiolate

Cc1noc(C(NCc2ccc(Cl)c(F)c2)C2CCOCC2)n1

N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine

CCc1nn(C)c(CC(N)C2CCC(CC)C2)c1Cl

2-(4-chloro-5-ethyl-2-methylpyrazol-3-yl)-1-(3-ethylcyclopentyl)ethanamine

Fc1ccc(C=C(c2ccc(OCc3ccc4ccccc4n3)cc2)c2nnco2)c(F)c1

2-[2-(2,4-difluorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazole

CN(C(=O)CC(C)(C)C)[C@@H]1CNC[C@H]1O

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,3,3-trimethylbutanamide

Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(NBr)C4)c(Cl)c32)c(F)cc1F

1-(6-amino-3,5-difluoropyridin-2-yl)-7-[3-(bromoamino)azetidin-1-yl]-8-chloro-6-fluoro-4-oxoquinoline-3-carboxylic acid

CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NCCC(C)C)cc1

[2-(3-methylbutylamino)-2-oxoethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate

C1=CN2C(c3cccs3)=C(c3cccs3)c3ccccc3N2C=C1

6,7-dithiophen-2-ylpyridazino[1,2-a]cinnoline

COc1ccc(-c2nn(-c3ccccc3)cc2CSC(C)C(=O)Nc2cc(C)on2)cc1

2-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

COc1cccc(C(=O)N2CCCN(C(=O)c3ccncc3)C2C(=O)NCCN)c1

N-(2-aminoethyl)-1-(3-methoxybenzoyl)-3-(pyridine-4-carbonyl)-1,3-diazinane-2-carboxamide

CC(C)(C)[Si](O[C@@H]1CC(c2coc(C#N)c2N)C[C@H]1COCc1ccccc1)(c1ccccc1)c1ccccc1

3-amino-4-[(3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-(phenylmethoxymethyl)cyclopentyl]furan-2-carbonitrile

CCC[C@@H](C)[C@H]1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@@H](CC)[C@H]3O

(3R,5S,6R,7R,10S,12S,13R,17R)-6-ethyl-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol

CC(O)Cc1ccnc(Br)c1

1-(2-bromopyridin-4-yl)propan-2-ol

NC(CO)CCC(c1ccccc1)C(F)(F)F

2-amino-6,6,6-trifluoro-5-phenylhexan-1-ol

CCc1ccc2c(OC(=O)OCC(C)C)c3ccccc3c(OC(=O)OCC(C)C)c2c1CC

[1,2-diethyl-10-(2-methylpropoxycarbonyloxy)anthracen-9-yl] 2-methylpropyl carbonate

CCOC(=O)[C@H](Cc1c[nH]c2ncccc12)NC(=O)OCC1c2ccccc2-c2ccccc21

ethyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate

CC(=O)Cc1cccc(C#CC#N)c1

3-[3-(2-oxopropyl)phenyl]prop-2-ynenitrile

CCCC(CC)CC(C)NC

4-ethyl-N-methylheptan-2-amine

COCc1cc(C2(CN)C3CCN(C(=O)OC(C)(C)C)CC32)no1

tert-butyl 7-(aminomethyl)-7-[5-(methoxymethyl)-1,2-oxazol-3-yl]-3-azabicyclo[4.1.0]heptane-3-carboxylate

CCOC(=O)N1C2CCC1CC(C1C=CCCC1)C2

ethyl 3-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octane-8-carboxylate

CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c(Br)cccc12)C(=O)O

(2R)-3-(7-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Cn1c(Sc2nc(C3CC3)ns2)nc2sc3c(c2c1=O)CCCC3

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

C[C@@H](O)CNS(=O)(=O)c1cc(N)c(Br)cc1F

5-amino-4-bromo-2-fluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide

C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5CC=C5[C@@H]7CC(C)(C)[C@@H](O)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@]7(C)CC[C@]56C)[C@@]4(C)CO)O[C@H](C(=O)O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid

O=C(O)C1CC[C@@H](O)CN1

(5R)-5-hydroxypiperidine-2-carboxylic acid

O=CNCCCNC(=O)c1ncc[nH]1

N-(3-formamidopropyl)-1H-imidazole-2-carboxamide

CC(C)=CCOc1c(O)cc(-c2c(C)cc(-c3ccc(O)cc3)c(C)c2O)cc1I

2-[3-hydroxy-5-iodo-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethylphenol

O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C\c3nc(O)c([N+](=O)[O-])c(=O)[nH]3)o2)c1

5-[5-[(Z)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzene-1,3-dicarboxylic acid

COCC(=O)N1CCC(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)CC1

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]sulfonylurea

COc1ccc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1OC

(7S)-7-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione