AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-47

SMILES stringlengths 2 971	IUPAC stringlengths 6 1.71k
CCN1CCN(CCNC(=O)C2CCCN(C(=O)c3[nH]c(C)c(C(=O)OC(C)C)c3C)C2)CC1	propan-2-yl 5-[3-[2-(4-ethylpiperazin-1-yl)ethylcarbamoyl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
C[C@H](CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)c1ccc(F)cc1F	1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2S)-2-(2,4-difluorophenyl)propyl]urea
COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@]3(COC(=O)/C=C/c4ccc(O)cc4)O[C@H](CO)[C@@H](O)[C@@H]3OC(=O)c3ccccc3)O[C@@H]2COC(C)=O)ccc1O	[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate
Cc1cccc(CNc2ccc(F)nc2)c1C	N-[(2,3-dimethylphenyl)methyl]-6-fluoropyridin-3-amine
Cc1cc(Oc2cc(C)c(F)cc2[C@H](C)N)n[nH]1	(1S)-1-[5-fluoro-4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine
NCCc1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1	2-[4-(4-chlorophenoxy)-3-nitrophenyl]ethanamine
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccc(-c2ccc(N)cc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C	methyl N-[(2S)-1-[[(2S,3S,5S)-1-[4-(4-aminophenyl)phenyl]-3-hydroxy-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-6-phenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CCCn1cc(C(NC)c2cc3cc(C)ccc3o2)cn1	N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
CC1(C)OB(c2ccc3nc[nH]c3c2)OC1(C)C.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4nc[nH]c4c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(Br)cc12	6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
O=C(CCl)NCCN(CCNC(=O)CCl)C(=O)CNC(=O)CBr	2-[(2-bromoacetyl)amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide
CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(OCC(=O)NCC(=O)O)c(C)c2)cc1C)CC	2-[[2-[4-[3-[4-[(E)-3-ethyl-3-hydroxypent-1-enyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetyl]amino]acetic acid
CC(=O)OCC1CC=CC(c2ccc(O)cc2)O1	[6-(4-hydroxyphenyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CCN1CCCC1CN(C)c1cccc(Cl)c1[N+](=O)[O-]	3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-nitroaniline
CCCc1nc(C)c(Cn2cc(-c3cccc(C#N)c3)nn2)s1	3-[1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]benzonitrile
CN=C1N[C@H]2[C@@H](S1)S[C@H]([C@@H](O)C(F)(F)F)[C@@H](O)[C@@H]2O	(3aR,5S,6S,7R,7aR)-2-methylimino-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1,3a,5,6,7,7a-hexahydrothiopyrano[3,2-d][1,3]thiazole-6,7-diol
Cc1[nH]c(/C=C2/C(=O)NN=C2c2cnccn2)c(C2CC2)c1CCN1CCCC1	(4E)-4-[[3-cyclopropyl-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1H-pyrrol-2-yl]methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one
CC(=O)Nc1cc(-c2cncc(Nc3ncco3)c2)ccn1	N-[4-[5-(1,3-oxazol-2-ylamino)pyridin-3-yl]pyridin-2-yl]acetamide
Cc1cccc([N+](=O)[O-])c1C(=O)OC(C)C(=O)Nc1ccccc1-c1ccccc1	[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-methyl-6-nitrobenzoate
Cc1cc(CCl)ccc1Oc1cc(F)ccc1F	2-[4-(chloromethyl)-2-methylphenoxy]-1,4-difluorobenzene
CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)c1	[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CCCCCCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cccc(C)c32)c1C.O=CNO	N-hexyl-2,4-dimethyl-5-[(Z)-(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-hydroxyformamide
Cc1cc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nc2c(C)cccc12	2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
C1NC2=C(N1)OCCO2	2,3,5,6-tetrahydro-1H-[1,4]dioxino[2,3-d]imidazole
CC[C@@]1(C)Cc2c(sc3nc(SCC(N)=O)[nH]c(=O)c23)CO1	2-[[(12S)-12-ethyl-12-methyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccccc1CBr	tert-butyl N-[2-(bromomethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
C/C=C/CCc1ccc(-c2ccc(C3C=CC(C)=CC3)cc2F)cc1	2-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene
Nc1cc(C(=O)O)ccc1-c1cncnc1	3-amino-4-pyrimidin-5-ylbenzoic acid
COC1(c2nnc(-c3ccc(C(F)(F)F)cc3Cl)o2)CCOC1	2-[2-chloro-4-(trifluoromethyl)phenyl]-5-(3-methoxyoxolan-3-yl)-1,3,4-oxadiazole
O=C(O)[C@H](CCc1ccc(O)cc1)N(O)O	(2S)-2-(dihydroxyamino)-4-(4-hydroxyphenyl)butanoic acid
Cl.O=C(COc1ccccc1CN1CCC2(CCNC2)C1)NCC1CC1	N-(cyclopropylmethyl)-2-[2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]acetamide;hydrochloride
CC1(C)CN(S(=O)(=O)CCCCl)CC(CO)O1	[4-(3-chloropropylsulfonyl)-6,6-dimethylmorpholin-2-yl]methanol
COC(=O)C(C)c1ccc(NCC(O)CO)cc1	methyl 2-[4-(2,3-dihydroxypropylamino)phenyl]propanoate
OCCNc1nc2ccccc2n1Cc1ccc(F)cc1Cl	2-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
CC12C=CC=CC1Oc1ccc(-c3cc4c5cc6ccccc6cc5n5c4c(c3)n3c4cc6ccccc6cc4nc35)cc12	14-(9a-methyl-5aH-dibenzofuran-2-yl)-1,17,28-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,27.020,25]triaconta-2,4,6,8,10,12(30),13,15,18,20,22,24,26,28-tetradecaene
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C=O)[C@@H]2c2ccccc2)cc1	(1R,2S,3R)-2-(4-methylphenyl)sulfonyl-3-phenylcyclopropane-1-carbaldehyde
COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	methyl (2S)-2-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate
C=COCCOCC(C)OCCOC(=O)C(=C)C	2-[1-(2-ethenoxyethoxy)propan-2-yloxy]ethyl 2-methylprop-2-enoate
CC1(C)Cc2cccc(OCC(=O)NNC(=O)c3ccco3)c2O1	N'-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]furan-2-carbohydrazide
O=C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1(F)F	3,3-difluoro-1-(2-fluoro-4-nitrophenyl)piperidin-4-one
Cc1ccc(-c2cc(C(=O)O)cc(-c3cccc(F)c3F)c2)c(C#N)c1	3-(2-cyano-4-methylphenyl)-5-(2,3-difluorophenyl)benzoic acid
O=[N+]([O-])c1cc(F)c(Cl)cc1NCCc1cccs1	5-chloro-4-fluoro-2-nitro-N-(2-thiophen-2-ylethyl)aniline
CN(C)C(=O)[C@@H](Sc1nc2ccccc2s1)c1ccccc1	(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethyl-2-phenylacetamide
Cc1c[nH]c2c(Cl)ccc(B3OC(C)(C)C(C)(C)O3)c12	7-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CCC(OC)C(Cc1ccccc1Br)NC	1-(2-bromophenyl)-3-methoxy-N-methylpentan-2-amine
O=C(OCc1ccccc1)[C@H](CCO)Cc1ccccc1	benzyl (2S)-2-benzyl-4-hydroxybutanoate
COCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C	(E)-2-cyano-3-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(3-methoxypropyl)prop-2-enamide
CC(C)C1=Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1.CC(C)C1=Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1.CC(C)C1=Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1.CC(C)[C@@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1.CC(C)[C@@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1	(1S)-1-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-dihydronaphthalene;(1S,3S)-1-(3,4-dichlorophenyl)-3-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CC(=O)Nc1c[nH]c2ccc(OCC3Cc4cn(CC(F)(F)F)nc4C3)cc12	N-[5-[[2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methoxy]-1H-indol-3-yl]acetamide
CC1CCCC(Nc2n[nH]c(N)n2)C1C	3-N-(2,3-dimethylcyclohexyl)-1H-1,2,4-triazole-3,5-diamine
CCNC1CCC(CC)CC1OCC1CCOCC1	N,4-diethyl-2-(oxan-4-ylmethoxy)cyclohexan-1-amine
CC(=O)C(C(C)=O)C(C)=Nc1c(C(C)C)cccc1C(C)C	3-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pentane-2,4-dione
COC(=O)C(=O)CC(=O)c1c(Cc2ccccc2)[nH]c2ccccc12	methyl 4-(2-benzyl-1H-indol-3-yl)-2,4-dioxobutanoate
CC(C)c1cnn2c(N[C@@H](C)c3ccccc3O)nc(S(C)(=O)=O)nc12	2-[(1S)-1-[(2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]ethyl]phenol
COc1ccc(/C(C)=N/NC(=O)CNC(=O)Cc2ccccc2)c(OC)c1	N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CNC1c2ccccc2CC1Oc1ccccc1Cl	2-(2-chlorophenoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
COc1ccc(/C=C(/C(=O)Nc2nc3scc(-c4ccc(C)cc4C)n3n2)c2ccccc2)cc1	(E)-N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4c5ccccc5n(-c5cccc6c5oc5cccc(-c7ccccc7)c56)c34)n2)cc1	1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-4-yl)carbazole
CC(=O)N1CC(Cc2cc(O)c(C3C=C(C)CC(C)C3C(C)C)c(O)c2)C1	1-[3-[[4-(3,5-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl)-3,5-dihydroxyphenyl]methyl]azetidin-1-yl]ethanone
Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Br)CC2)c(C)c1	1-(2-bromophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
C=NC(=N/C=C\C)c1ccc(C(=O)O)o1	5-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]furan-2-carboxylic acid
Cc1sc(NC(=O)c2ccco2)c(C[NH+]2CCN(c3ccccc3)CC2)c1C	N-[4,5-dimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
c1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c3ccccc3-c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc2)cc1	N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
COc1ccc(C)cc1NC(=O)CN1CCN(CCOc2ccccc2)CC1	N-(2-methoxy-5-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CC(C(=O)O)C(C)c1nc(C2CC3CCC2C3)no1	3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid
Nc1cc(Cl)c(NC(=O)CCCSCCCO)c(Cl)c1	N-(4-amino-2,6-dichlorophenyl)-4-(3-hydroxypropylsulfanyl)butanamide
CCOC(=O)c1ccc(N2CCCC2=O)cc1F	ethyl 2-fluoro-4-(2-oxopyrrolidin-1-yl)benzoate
CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSCC(=O)c1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CSCC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)O	(4S)-4-amino-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[2-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-[(2S)-2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-6-azido-1-oxohexan-2-yl]amino]-1-oxo-3-phenacylsulfanylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenacylsulfanylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid
Oc1c(Br)cccc1CNCc1ccncn1	2-bromo-6-[(pyrimidin-4-ylmethylamino)methyl]phenol
CCNc1ncc(N)c(C)c1Br	3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
Cc1nn(C)c(C)c1CN[C@H]1CCN(c2cc(=O)n(C)c(=O)[nH]2)C1	3-methyl-6-[(3S)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CCNc1cc(C)nc(CN2CCC(C(=O)NC)CC2)n1	1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-N-methylpiperidine-4-carboxamide
O=C1c2cc(Br)ccc2-c2ccc(OC3CN4CCC3CC4)cc21	2-(1-azabicyclo[2.2.2]octan-3-yloxy)-7-bromofluoren-9-one
CCC(c1ccc(OC)cc1)N1CCC(C)CC1CN	[1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidin-2-yl]methanamine
O=C(CC(c1ccco1)N1C(=O)C2C3C=CC(C3)C2C1=O)Nc1cccc2ccccc12	3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(furan-2-yl)-N-naphthalen-1-ylpropanamide
O=C(C=Cc1ccc(OCc2ccccc2)cc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1	N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CC(CNc1ccc(N)c(OCC2CC2)n1)c1nccs1	6-(cyclopropylmethoxy)-2-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2,5-diamine
CC1(C)NC(=O)C=CC1=O	6,6-dimethyl-1H-pyridine-2,5-dione
COc1ccc2c(c1)CC2CCCO	3-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)propan-1-ol
Cc1nn(C)c2nc(N[C@@H]3CS(=O)(=O)C[C@H]3O)sc12	(3S,4S)-4-[(1,3-dimethylpyrazolo[3,4-d][1,3]thiazol-5-yl)amino]-1,1-dioxothiolan-3-ol
COc1ccc(/C(C)=N/N2CC[NH+](Cc3ccccc3)CC2)cc1	(E)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(4-methoxyphenyl)ethanimine
Cc1sc(CNC2CC2)cc1S(=O)(=O)NCCCN(C)C	5-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]-2-methylthiophene-3-sulfonamide
CCOc1cc(CNCC2CCCOC2)ccc1OCC(F)(F)F	N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(oxan-3-yl)methanamine
C=CC(N)=O.O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid;prop-2-enamide
Cc1cccc2c3cccc(C)c3n(-c3ccnc(-n4c5ccccc5c5ccc(Oc6cc(-n7nccn7)cc(C(C)(C)C)c6)cc54)c3)c12	9-[2-[2-[3-tert-butyl-5-(triazol-2-yl)phenoxy]carbazol-9-yl]pyridin-4-yl]-1,8-dimethylcarbazole
CCOC(=O)c1ccc(CNC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)nc1	ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate
CC(=O)CCC(C)c1cc(Br)ccc1F	5-(5-bromo-2-fluorophenyl)hexan-2-one
CNC(=O)NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1	N-(methylcarbamoyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
Cc1c(C(c2cccc([N+](=O)[O-])c2)c2c(O)c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C	4-[(4-hydroxy-2-oxochromen-3-yl)-(3-nitrophenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CCNC(C)(CC(C)OC1COC1)C(N)=O	2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)pentanamide
CN1CCC(S(=O)(=O)O)CC1	1-methylpiperidine-4-sulfonic acid
CCS(=O)(=O)c1ccc(Oc2cc(N)c(N)cc2Oc2cccnc2OC(F)F)cc1	4-[2-(difluoromethoxy)pyridin-3-yl]oxy-5-(4-ethylsulfonylphenoxy)benzene-1,2-diamine
C=C[C@@]1(C)C[C@H]2OC(=O)C(=C)[C@H]2C[C@@H]1C(=C)CO	(3aR,5S,6R,7aR)-6-ethenyl-5-(3-hydroxyprop-1-en-2-yl)-6-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-1-benzofuran-2-one
O[C@@H](CBr)c1ccc(OC(F)F)cc1	(1R)-2-bromo-1-[4-(difluoromethoxy)phenyl]ethanol
CC(C)N1[C@@H]2C[C@H]1CN(C)C2	(1S,5R)-3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
CC/C(=C(/c1ccc(OCCN(C/C(=C/C(=O)N(C)C)c2ccccc2)C(=O)O)cc1)c1ccc2c(cnn2C2CCCCO2)c1)c1ccccc1	[(E)-4-(dimethylamino)-4-oxo-2-phenylbut-2-enyl]-[2-[4-[(E)-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]ethyl]carbamic acid
Cl.FC(F)(F)c1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1	N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]isoquinolin-1-amine;hydrochloride
CCOc1ccccc1NC1=C(c2ccc(OCC(C)C)cc2)C(=O)N(CCCOC)C1=O	3-(2-ethoxyanilino)-1-(3-methoxypropyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
C[C@@H]1C[C@@H]2O[C@]3(C[C@@]4(C)C5=CC[C@@H]6C(=CC[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C6(C)C)CC5=CC[C@]4(C)[C@@H]13)O[C@@H]2C(C)(C)O	(2S,3R,4S,5R)-2-[[(1R,3R,7R,9S,17R,18R,19R,21S,22S)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxahexacyclo[19.2.1.01,18.03,17.04,14.07,12]tetracosa-4,11,14-trien-9-yl]oxy]oxane-3,4,5-triol
CCc1cc(-c2ccc(S(=O)(=O)NCCC3OCCO3)s2)c(C)[nH]c1=O	N-[2-(1,3-dioxolan-2-yl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
Fc1ccc(C2=CC(c3ccc(F)cc3)CCN2)cc1	4,6-bis(4-fluorophenyl)-1,2,3,4-tetrahydropyridine

CCN1CCN(CCNC(=O)C2CCCN(C(=O)c3[nH]c(C)c(C(=O)OC(C)C)c3C)C2)CC1

propan-2-yl 5-[3-[2-(4-ethylpiperazin-1-yl)ethylcarbamoyl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C[C@H](CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)c1ccc(F)cc1F

1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2S)-2-(2,4-difluorophenyl)propyl]urea

COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@]3(COC(=O)/C=C/c4ccc(O)cc4)O[C@H](CO)[C@@H](O)[C@@H]3OC(=O)c3ccccc3)O[C@@H]2COC(C)=O)ccc1O

[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate

Cc1cccc(CNc2ccc(F)nc2)c1C

N-[(2,3-dimethylphenyl)methyl]-6-fluoropyridin-3-amine

Cc1cc(Oc2cc(C)c(F)cc2[C@H](C)N)n[nH]1

(1S)-1-[5-fluoro-4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine

NCCc1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1

2-[4-(4-chlorophenoxy)-3-nitrophenyl]ethanamine

COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccc(-c2ccc(N)cc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C

methyl N-[(2S)-1-[[(2S,3S,5S)-1-[4-(4-aminophenyl)phenyl]-3-hydroxy-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-6-phenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

CCCn1cc(C(NC)c2cc3cc(C)ccc3o2)cn1

N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine

CC1(C)OB(c2ccc3nc[nH]c3c2)OC1(C)C.O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4nc[nH]c4c3)cc12.O=c1cc[nH]c2nc(-c3ccccc3)c(Br)cc12

6-(3H-benzimidazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole

O=C(CCl)NCCN(CCNC(=O)CCl)C(=O)CNC(=O)CBr

2-[(2-bromoacetyl)amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide

CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(OCC(=O)NCC(=O)O)c(C)c2)cc1C)CC

2-[[2-[4-[3-[4-[(E)-3-ethyl-3-hydroxypent-1-enyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetyl]amino]acetic acid

CC(=O)OCC1CC=CC(c2ccc(O)cc2)O1

[6-(4-hydroxyphenyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate

CCN1CCCC1CN(C)c1cccc(Cl)c1[N+](=O)[O-]

3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-nitroaniline

CCCc1nc(C)c(Cn2cc(-c3cccc(C#N)c3)nn2)s1

3-[1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]benzonitrile

CN=C1N[C@H]2[C@@H](S1)S[C@H]([C@@H](O)C(F)(F)F)[C@@H](O)[C@@H]2O

(3aR,5S,6S,7R,7aR)-2-methylimino-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1,3a,5,6,7,7a-hexahydrothiopyrano[3,2-d][1,3]thiazole-6,7-diol

Cc1[nH]c(/C=C2/C(=O)NN=C2c2cnccn2)c(C2CC2)c1CCN1CCCC1

(4E)-4-[[3-cyclopropyl-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1H-pyrrol-2-yl]methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one

CC(=O)Nc1cc(-c2cncc(Nc3ncco3)c2)ccn1

N-[4-[5-(1,3-oxazol-2-ylamino)pyridin-3-yl]pyridin-2-yl]acetamide

Cc1cccc([N+](=O)[O-])c1C(=O)OC(C)C(=O)Nc1ccccc1-c1ccccc1

[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-methyl-6-nitrobenzoate

Cc1cc(CCl)ccc1Oc1cc(F)ccc1F

2-[4-(chloromethyl)-2-methylphenoxy]-1,4-difluorobenzene

CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)c1

[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate

CCCCCCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cccc(C)c32)c1C.O=CNO

N-hexyl-2,4-dimethyl-5-[(Z)-(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-hydroxyformamide

Cc1cc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nc2c(C)cccc12

2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide

C1NC2=C(N1)OCCO2

2,3,5,6-tetrahydro-1H-[1,4]dioxino[2,3-d]imidazole

CC[C@@]1(C)Cc2c(sc3nc(SCC(N)=O)[nH]c(=O)c23)CO1

2-[[(12S)-12-ethyl-12-methyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccccc1CBr

tert-butyl N-[2-(bromomethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C/C=C/CCc1ccc(-c2ccc(C3C=CC(C)=CC3)cc2F)cc1

2-fluoro-4-(4-methylcyclohexa-2,4-dien-1-yl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene

Nc1cc(C(=O)O)ccc1-c1cncnc1

3-amino-4-pyrimidin-5-ylbenzoic acid

COC1(c2nnc(-c3ccc(C(F)(F)F)cc3Cl)o2)CCOC1

2-[2-chloro-4-(trifluoromethyl)phenyl]-5-(3-methoxyoxolan-3-yl)-1,3,4-oxadiazole

O=C(O)[C@H](CCc1ccc(O)cc1)N(O)O

(2S)-2-(dihydroxyamino)-4-(4-hydroxyphenyl)butanoic acid

Cl.O=C(COc1ccccc1CN1CCC2(CCNC2)C1)NCC1CC1

N-(cyclopropylmethyl)-2-[2-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]acetamide;hydrochloride

CC1(C)CN(S(=O)(=O)CCCCl)CC(CO)O1

[4-(3-chloropropylsulfonyl)-6,6-dimethylmorpholin-2-yl]methanol

COC(=O)C(C)c1ccc(NCC(O)CO)cc1

methyl 2-[4-(2,3-dihydroxypropylamino)phenyl]propanoate

OCCNc1nc2ccccc2n1Cc1ccc(F)cc1Cl

2-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol

CC12C=CC=CC1Oc1ccc(-c3cc4c5cc6ccccc6cc5n5c4c(c3)n3c4cc6ccccc6cc4nc35)cc12

14-(9a-methyl-5aH-dibenzofuran-2-yl)-1,17,28-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,27.020,25]triaconta-2,4,6,8,10,12(30),13,15,18,20,22,24,26,28-tetradecaene

Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C=O)[C@@H]2c2ccccc2)cc1

(1R,2S,3R)-2-(4-methylphenyl)sulfonyl-3-phenylcyclopropane-1-carbaldehyde

COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

methyl (2S)-2-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate

C=COCCOCC(C)OCCOC(=O)C(=C)C

2-[1-(2-ethenoxyethoxy)propan-2-yloxy]ethyl 2-methylprop-2-enoate

CC1(C)Cc2cccc(OCC(=O)NNC(=O)c3ccco3)c2O1

N'-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]furan-2-carbohydrazide

O=C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1(F)F

3,3-difluoro-1-(2-fluoro-4-nitrophenyl)piperidin-4-one

Cc1ccc(-c2cc(C(=O)O)cc(-c3cccc(F)c3F)c2)c(C#N)c1

3-(2-cyano-4-methylphenyl)-5-(2,3-difluorophenyl)benzoic acid

O=[N+]([O-])c1cc(F)c(Cl)cc1NCCc1cccs1

5-chloro-4-fluoro-2-nitro-N-(2-thiophen-2-ylethyl)aniline

CN(C)C(=O)[C@@H](Sc1nc2ccccc2s1)c1ccccc1

(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethyl-2-phenylacetamide

Cc1c[nH]c2c(Cl)ccc(B3OC(C)(C)C(C)(C)O3)c12

7-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

CCC(OC)C(Cc1ccccc1Br)NC

1-(2-bromophenyl)-3-methoxy-N-methylpentan-2-amine

O=C(OCc1ccccc1)[C@H](CCO)Cc1ccccc1

benzyl (2S)-2-benzyl-4-hydroxybutanoate

COCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C

(E)-2-cyano-3-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(3-methoxypropyl)prop-2-enamide

CC(C)C1=Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1.CC(C)C1=Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1.CC(C)C1=Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1.CC(C)[C@@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1.CC(C)[C@@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1

(1S)-1-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-dihydronaphthalene;(1S,3S)-1-(3,4-dichlorophenyl)-3-propan-2-yl-1,2,3,4-tetrahydronaphthalene

CC(=O)Nc1c[nH]c2ccc(OCC3Cc4cn(CC(F)(F)F)nc4C3)cc12

N-[5-[[2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methoxy]-1H-indol-3-yl]acetamide

CC1CCCC(Nc2n[nH]c(N)n2)C1C

3-N-(2,3-dimethylcyclohexyl)-1H-1,2,4-triazole-3,5-diamine

CCNC1CCC(CC)CC1OCC1CCOCC1

N,4-diethyl-2-(oxan-4-ylmethoxy)cyclohexan-1-amine

CC(=O)C(C(C)=O)C(C)=Nc1c(C(C)C)cccc1C(C)C

3-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pentane-2,4-dione

COC(=O)C(=O)CC(=O)c1c(Cc2ccccc2)[nH]c2ccccc12

methyl 4-(2-benzyl-1H-indol-3-yl)-2,4-dioxobutanoate

CC(C)c1cnn2c(N[C@@H](C)c3ccccc3O)nc(S(C)(=O)=O)nc12

2-[(1S)-1-[(2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]ethyl]phenol

COc1ccc(/C(C)=N/NC(=O)CNC(=O)Cc2ccccc2)c(OC)c1

N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide

CNC1c2ccccc2CC1Oc1ccccc1Cl

2-(2-chlorophenoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine

COc1ccc(/C=C(/C(=O)Nc2nc3scc(-c4ccc(C)cc4C)n3n2)c2ccccc2)cc1

(E)-N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide

c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4c5ccccc5n(-c5cccc6c5oc5cccc(-c7ccccc7)c56)c34)n2)cc1

1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-4-yl)carbazole

CC(=O)N1CC(Cc2cc(O)c(C3C=C(C)CC(C)C3C(C)C)c(O)c2)C1

1-[3-[[4-(3,5-dimethyl-6-propan-2-ylcyclohex-2-en-1-yl)-3,5-dihydroxyphenyl]methyl]azetidin-1-yl]ethanone

Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Br)CC2)c(C)c1

1-(2-bromophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine

C=NC(=N/C=C\C)c1ccc(C(=O)O)o1

5-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]furan-2-carboxylic acid

Cc1sc(NC(=O)c2ccco2)c(C[NH+]2CCN(c3ccccc3)CC2)c1C

N-[4,5-dimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide

c1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c3ccccc3-c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc2)cc1

N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline

COc1ccc(C)cc1NC(=O)CN1CCN(CCOc2ccccc2)CC1

N-(2-methoxy-5-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide

CC(C(=O)O)C(C)c1nc(C2CC3CCC2C3)no1

3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid

Nc1cc(Cl)c(NC(=O)CCCSCCCO)c(Cl)c1

N-(4-amino-2,6-dichlorophenyl)-4-(3-hydroxypropylsulfanyl)butanamide

CCOC(=O)c1ccc(N2CCCC2=O)cc1F

ethyl 2-fluoro-4-(2-oxopyrrolidin-1-yl)benzoate

CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSCC(=O)c1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CSCC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)O

(4S)-4-amino-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[2-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-[(2S)-2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-6-azido-1-oxohexan-2-yl]amino]-1-oxo-3-phenacylsulfanylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenacylsulfanylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid

Oc1c(Br)cccc1CNCc1ccncn1

2-bromo-6-[(pyrimidin-4-ylmethylamino)methyl]phenol

CCNc1ncc(N)c(C)c1Br

3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine

Cc1nn(C)c(C)c1CN[C@H]1CCN(c2cc(=O)n(C)c(=O)[nH]2)C1

3-methyl-6-[(3S)-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione

CCNc1cc(C)nc(CN2CCC(C(=O)NC)CC2)n1

1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-N-methylpiperidine-4-carboxamide

O=C1c2cc(Br)ccc2-c2ccc(OC3CN4CCC3CC4)cc21

2-(1-azabicyclo[2.2.2]octan-3-yloxy)-7-bromofluoren-9-one

CCC(c1ccc(OC)cc1)N1CCC(C)CC1CN

[1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidin-2-yl]methanamine

O=C(CC(c1ccco1)N1C(=O)C2C3C=CC(C3)C2C1=O)Nc1cccc2ccccc12

3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(furan-2-yl)-N-naphthalen-1-ylpropanamide

O=C(C=Cc1ccc(OCc2ccccc2)cc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-phenylmethoxyphenyl)prop-2-enamide

CC(CNc1ccc(N)c(OCC2CC2)n1)c1nccs1

6-(cyclopropylmethoxy)-2-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2,5-diamine

CC1(C)NC(=O)C=CC1=O

6,6-dimethyl-1H-pyridine-2,5-dione

COc1ccc2c(c1)CC2CCCO

3-(3-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)propan-1-ol

Cc1nn(C)c2nc(N[C@@H]3CS(=O)(=O)C[C@H]3O)sc12

(3S,4S)-4-[(1,3-dimethylpyrazolo[3,4-d][1,3]thiazol-5-yl)amino]-1,1-dioxothiolan-3-ol

COc1ccc(/C(C)=N/N2CC[NH+](Cc3ccccc3)CC2)cc1

(E)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(4-methoxyphenyl)ethanimine

Cc1sc(CNC2CC2)cc1S(=O)(=O)NCCCN(C)C

5-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]-2-methylthiophene-3-sulfonamide

CCOc1cc(CNCC2CCCOC2)ccc1OCC(F)(F)F

N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(oxan-3-yl)methanamine

C=CC(N)=O.O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid;prop-2-enamide

Cc1cccc2c3cccc(C)c3n(-c3ccnc(-n4c5ccccc5c5ccc(Oc6cc(-n7nccn7)cc(C(C)(C)C)c6)cc54)c3)c12

9-[2-[2-[3-tert-butyl-5-(triazol-2-yl)phenoxy]carbazol-9-yl]pyridin-4-yl]-1,8-dimethylcarbazole

CCOC(=O)c1ccc(CNC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)nc1

ethyl 6-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate

CC(=O)CCC(C)c1cc(Br)ccc1F

5-(5-bromo-2-fluorophenyl)hexan-2-one

CNC(=O)NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1

N-(methylcarbamoyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

Cc1c(C(c2cccc([N+](=O)[O-])c2)c2c(O)c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C

4-[(4-hydroxy-2-oxochromen-3-yl)-(3-nitrophenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one

CCNC(C)(CC(C)OC1COC1)C(N)=O

2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)pentanamide

CN1CCC(S(=O)(=O)O)CC1

1-methylpiperidine-4-sulfonic acid

CCS(=O)(=O)c1ccc(Oc2cc(N)c(N)cc2Oc2cccnc2OC(F)F)cc1

4-[2-(difluoromethoxy)pyridin-3-yl]oxy-5-(4-ethylsulfonylphenoxy)benzene-1,2-diamine

C=C[C@@]1(C)C[C@H]2OC(=O)C(=C)[C@H]2C[C@@H]1C(=C)CO

(3aR,5S,6R,7aR)-6-ethenyl-5-(3-hydroxyprop-1-en-2-yl)-6-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-1-benzofuran-2-one

O[C@@H](CBr)c1ccc(OC(F)F)cc1

(1R)-2-bromo-1-[4-(difluoromethoxy)phenyl]ethanol

CC(C)N1[C@@H]2C[C@H]1CN(C)C2

(1S,5R)-3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane

CC/C(=C(/c1ccc(OCCN(C/C(=C/C(=O)N(C)C)c2ccccc2)C(=O)O)cc1)c1ccc2c(cnn2C2CCCCO2)c1)c1ccccc1

[(E)-4-(dimethylamino)-4-oxo-2-phenylbut-2-enyl]-[2-[4-[(E)-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]ethyl]carbamic acid

Cl.FC(F)(F)c1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1

N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]isoquinolin-1-amine;hydrochloride

CCOc1ccccc1NC1=C(c2ccc(OCC(C)C)cc2)C(=O)N(CCCOC)C1=O

3-(2-ethoxyanilino)-1-(3-methoxypropyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione

C[C@@H]1C[C@@H]2O[C@]3(C[C@@]4(C)C5=CC[C@@H]6C(=CC[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C6(C)C)CC5=CC[C@]4(C)[C@@H]13)O[C@@H]2C(C)(C)O

(2S,3R,4S,5R)-2-[[(1R,3R,7R,9S,17R,18R,19R,21S,22S)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxahexacyclo[19.2.1.01,18.03,17.04,14.07,12]tetracosa-4,11,14-trien-9-yl]oxy]oxane-3,4,5-triol

CCc1cc(-c2ccc(S(=O)(=O)NCCC3OCCO3)s2)c(C)[nH]c1=O

N-[2-(1,3-dioxolan-2-yl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide

Fc1ccc(C2=CC(c3ccc(F)cc3)CCN2)cc1

4,6-bis(4-fluorophenyl)-1,2,3,4-tetrahydropyridine