AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-30

SMILES stringlengths 2 990	IUPAC stringlengths 4 1.64k
CN=C(NCCc1ccc(C)c(OC)c1)NCc1ccnc(-n2cccn2)c1	1-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methyl-3-[(2-pyrazol-1-ylpyridin-4-yl)methyl]guanidine
CC1(C)OB(C(F)=C2CC(COc3cc(C(F)(F)F)ccn3)C2)OC1(C)C	2-[[3-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]cyclobutyl]methoxy]-4-(trifluoromethyl)pyridine
Cc1cc(SCC(C)(NC2CC2)C(N)=O)n(C)n1	2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylpropanamide
CCSCCN1CC2CNCC2C1(C)C	5-(2-ethylsulfanylethyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
C[C@]1(NCC2CC2)CCNC1	(3S)-N-(cyclopropylmethyl)-3-methylpyrrolidin-3-amine
CC1(C)CN(c2cccc(C(F)(F)F)c2)C(=O)c2cc([N+](=O)[O-])ccc21	4,4-dimethyl-7-nitro-2-[3-(trifluoromethyl)phenyl]-3H-isoquinolin-1-one
Cc1cccc(N2C(=O)CSC2c2cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)c1	4-methyl-N-[3-[3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide
CC(C)CCCC(C)C1CCC(C2=CC(=O)C3=CC(O)CCC3(C)C2=O)C1(C)CCO	7-hydroxy-3-[2-(2-hydroxyethyl)-2-methyl-3-(6-methylheptan-2-yl)cyclopentyl]-4a-methyl-6,7-dihydro-5H-naphthalene-1,4-dione
CCCC[NH+]1CCC(C)C1.F[B-](F)(F)F	1-butyl-3-methylpyrrolidin-1-ium;tetrafluoroborate
CC(=O)OC[C@H]1O[C@@H](ON=C(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(propan-2-ylideneamino)oxyoxan-2-yl]methyl acetate
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1	[2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl] 4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzoate
NNC(=S)N1CC(N2CCCC2=O)C(c2ccc(Cl)cc2)=N1	5-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carbothiohydrazide
CC(=O)Nc1ccc(Br)c(C)c1C	N-(4-bromo-2,3-dimethylphenyl)acetamide
CC[C@H](C)c1cc(OC)c(/C=C(\C)[N+](=O)[O-])cc1OC	1-[(2S)-butan-2-yl]-2,5-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene
COc1cc(C(F)F)c(O)c(C2(O)CC2)c1	2-(difluoromethyl)-6-(1-hydroxycyclopropyl)-4-methoxyphenol
COc1ccc(N2CC3C(O)CC(C)(C)CC3N(c3ccccc3)C2c2ccccc2)cc1	3-(4-methoxyphenyl)-7,7-dimethyl-1,2-diphenyl-4,4a,5,6,8,8a-hexahydro-2H-quinazolin-5-ol
O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCCC1=CCCCC1	N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetamide
CCCc1ccc(-c2ccc(OCC34CCC(CCC)(CC3)CC4)c(C#N)c2C#N)cc1	3-[(4-propyl-1-bicyclo[2.2.2]octanyl)methoxy]-6-(4-propylphenyl)benzene-1,2-dicarbonitrile
CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CCC(F)F)C(=O)C(N)=O)C2(C)C)C(C)(C)C	tert-butyl N-[(2S)-1-[(1R,2S,5S)-2-[(1-amino-6,6-difluoro-1,2-dioxohexan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
COc1ncnc(N(C)C2CCS(=O)(=O)C2)c1N	4-N-(1,1-dioxothiolan-3-yl)-6-methoxy-4-N-methylpyrimidine-4,5-diamine
COCC(C)Cn1nnnc1-c1cc(N)ccc1C	3-[1-(3-methoxy-2-methylpropyl)tetrazol-5-yl]-4-methylaniline
CCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNCC.CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1C1CCNC1	(E)-3-(2-butyl-1-pyrrolidin-3-ylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide;(E)-3-[1-[2-(ethylamino)ethyl]-2-pentylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide
CC#C/C=C\C=C(/C)N(CN(c1ccccc1)c1ccccc1)c1ccccc1	N'-[(2E,4Z)-octa-2,4-dien-6-yn-2-yl]-N,N,N'-triphenylmethanediamine
Cc1cc2c3c([n+](C)c4ccc(F)cc4c3c1)-c1cc(F)ccc1N2C	4,16-difluoro-8,11,20-trimethyl-8-aza-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14(19),15,17-decaene
CCC1CCNC(C(=O)Nc2ccccc2C(F)(F)F)C1	4-ethyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
Cc1sc2cc(Cn3ccnc3)ccc2c1C(=O)O	6-(imidazol-1-ylmethyl)-2-methyl-1-benzothiophene-3-carboxylic acid
COc1cccc(F)c1C(O)c1cc(Cl)ccc1Cl	(2,5-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
Cc1ccc(F)c(Oc2ccc3ncn([C@@H]4CCCCC(N5CCC(c6cc7c(cc6F)c(N6CCC(=O)NC6=O)nn7C)CC5)CCOC4)c(=O)c3c2)c1C#N	2-[3-[(3R)-8-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-5-fluoro-1-methylindazol-6-yl]piperidin-1-yl]oxecan-3-yl]-4-oxoquinazolin-6-yl]oxy-3-fluoro-6-methylbenzonitrile
CC(C)C1(CNCc2cnn(-c3ccccc3)n2)CC1	1-(2-phenyltriazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
Cc1cccc2nc(C(=O)Nc3ccc(Cl)cn3)cn12	N-(5-chloropyridin-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
COc1cnc(CCN)nc1OC	2-(4,5-dimethoxypyrimidin-2-yl)ethanamine
Cc1cc(Br)cc(C)c1CNC(=O)[C@@H]1CC[C@H](CN)O1	(2S,5R)-5-(aminomethyl)-N-[(4-bromo-2,6-dimethylphenyl)methyl]oxolane-2-carboxamide
CN.Cc1ncc(/C=C/C=O)s1	methanamine;(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enal
CC1CCCCC1C(=O)NC(CF)C(=O)O	3-fluoro-2-[(2-methylcyclohexanecarbonyl)amino]propanoic acid
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1	(2R)-2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CCN(CCc1ccncc1)C1=C(c2ccccc2)C(=O)N(c2cc(C)ccc2OC)C1=O	3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione
COc1ccc(CCNC(=O)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1OC	N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfonylanilino)-1,3-thiazole-4-carboxamide
CCCCC12CCC(=O)C(C#N)=C1c1cc(F)c(N)c(C)c1C2	7-amino-9a-butyl-6-fluoro-8-methyl-3-oxo-2,9-dihydro-1H-fluorene-4-carbonitrile
O=C(CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCCCNC(=O)Cc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)sc2c1	(4S)-2-[6-[2-[5-[5-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]pentanoylamino]pentylamino]-2-oxoethyl]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CCn1cc(CC(=N)N)c(-c2ccccc2)n1	2-(1-ethyl-3-phenylpyrazol-4-yl)ethanimidamide
CC(=O)Nc1ccc(C)cc1C(C)C.CC(=O)Nc1ccc(Cl)cc1C(C)C.CC(C)c1cc(Br)ccc1NS(C)(=O)=O.CC(C)c1cc(Cl)ccc1NS(C)(=O)=O.CC(C)c1cc(F)c(F)cc1NS(C)(=O)=O.CC(C)c1cc(F)cc(Br)c1NS(C)(=O)=O.CC(C)c1cc(N)ccc1NS(C)(=O)=O.CC(C)c1cccc(N)c1.CC(C)c1ccccc1N(C)S(C)(=O)=O.CCc1ccc(NS(C)(=O)=O)c(C(C)C)c1.Cc1cc(C)cc(C(C)C)c1.Cc1cc(Cl)cc(C(C)C)c1NS(C)(=O)=O.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(N2CCCC2=O)c(C(C)C)c1.Cc1ccc(N2CCCS2(=O)=O)c(C(C)C)c1.Cc1ccc(NS(C)(=O)=O)c(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(NS(C)(=O)=O)c1C(C)C.Cc1ccccc1C(C)C	N-(4-amino-2-propan-2-ylphenyl)methanesulfonamide;N-(2-bromo-4-fluoro-6-propan-2-ylphenyl)methanesulfonamide;N-(4-bromo-2-propan-2-ylphenyl)methanesulfonamide;N-(4-chloro-2-methyl-6-propan-2-ylphenyl)methanesulfonamide;N-(4-chloro-2-propan-2-ylphenyl)acetamide;N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide;N-(4,5-difluoro-2-propan-2-ylphenyl)methanesulfonamide;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;N-(4-ethyl-2-propan-2-ylphenyl)methanesulfonamide;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-(4-methyl-2-propan-2-ylphenyl)acetamide;N-methyl-N-(2-propan-2-ylphenyl)methanesulfonamide;N-(3-methyl-2-propan-2-ylphenyl)methanesulfonamide;N-(4-methyl-2-propan-2-ylphenyl)methanesulfonamide;1-(4-methyl-2-propan-2-ylphenyl)pyrrolidin-2-one;2-(4-methyl-2-propan-2-ylphenyl)-1,2-thiazolidine 1,1-dioxide;3-propan-2-ylaniline
COc1ccc(C(=O)Nc2nnc(SCC(C)=O)s2)cc1	4-methoxy-N-[5-(2-oxopropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
O=C(Nc1cc(C2CCCC2)[nH]n1)c1cn(Cc2ccccn2)nn1	N-(5-cyclopentyl-1H-pyrazol-3-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide
Nc1ccc(C=CC(=O)NCc2cc3cc(-c4ccc(C(=O)N5CC(F)(F)C5)cc4)cc(C(F)(F)F)c3o2)cn1	3-(6-aminopyridin-3-yl)-N-[[5-[4-(3,3-difluoroazetidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide
C=C(C)C(=O)OCCOC(=O)CC(=O)c1ccccc1	2-(3-oxo-3-phenylpropanoyl)oxyethyl 2-methylprop-2-enoate
CCc1sc(C(=O)CCc2cc(C)c(OCCNC(=O)CO)c(Cl)c2)c2c1CC(C)(C)CC2	N-[2-[2-chloro-4-[3-(3-ethyl-5,5-dimethyl-6,7-dihydro-4H-2-benzothiophen-1-yl)-3-oxopropyl]-6-methylphenoxy]ethyl]-2-hydroxyacetamide
C=C(/C=N\N)c1cc2c(-c3nc4c(C5CCN(C)CC5)cccc4[nH]3)n[nH]c2cn1	(Z)-2-[3-[4-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-2-enylidenehydrazine
CCn1cc(Cl)c(CN(C)C(=O)c2cccc(COc3ccc([N+](=O)[O-])cc3)c2)n1	N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-[(4-nitrophenoxy)methyl]benzamide
CCOc1ncc(Cn2cnc(CO)n2)cc1-c1cccc(F)c1	[1-[[6-ethoxy-5-(3-fluorophenyl)pyridin-3-yl]methyl]-1,2,4-triazol-3-yl]methanol
CN(c1ccccc1F)c1c(F)ccc(-c2ccccc2)c1-c1cccc(-c2cccc3ccccc23)c1	6-fluoro-N-(2-fluorophenyl)-N-methyl-2-(3-naphthalen-1-ylphenyl)-3-phenylaniline
CCCCOCCOCCNC(=NCc1ccccc1N1CCOCC1)NCC	1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine
Nc1cncc(N2CCC3(CC3)C2)c1	5-(5-azaspiro[2.4]heptan-5-yl)pyridin-3-amine
CC[C@H](N)C(=O)Nc1c(Cl)cc(F)cc1Br	(2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)butanamide
CC(OC(F)(F)F)C(C)(C)C	2,2-dimethyl-3-(trifluoromethoxy)butane
O=C1c2cc(I)ccc2NC(c2c(O)ccc3ccccc23)N1c1cccc(F)c1	3-(3-fluorophenyl)-2-(2-hydroxynaphthalen-1-yl)-6-iodo-1,2-dihydroquinazolin-4-one
COCC(NC(=O)NCCN(C)C1CCCC1)C(=O)O	2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-3-methoxypropanoic acid
CCNSc1cc(COSC)ccc1Br	N-[2-bromo-5-(methylsulfanyloxymethyl)phenyl]sulfanylethanamine
CCOc1cc(-c2ccccc2)c(O)c(-c2ccc(C)cc2)c1	4-ethoxy-2-(4-methylphenyl)-6-phenylphenol
Cc1cccc(C)c1OCCn1nc(C)c(S(=O)(=O)N2CCc3ccccc32)c1C	1-[1-[2-(2,6-dimethylphenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-2,3-dihydroindole
CCCn1cc(NC(=O)N2CCCC2C(C)(C)O)cn1	2-(2-hydroxypropan-2-yl)-N-(1-propylpyrazol-4-yl)pyrrolidine-1-carboxamide
CCCC(=O)NS(=O)(=O)C(C)(O)N1CC=C(c2ccc(C#CCC(C)C)cc2)CC1	N-[1-hydroxy-1-[4-[4-(4-methylpent-1-ynyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]sulfonylbutanamide
CC(C)COc1ccccc1-c1ccc(C#N)c(=O)n1C(C)C	6-[2-(2-methylpropoxy)phenyl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCOCC(COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCC	[3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-2-octanoyloxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
CC1COC(=O)N1c1ccccc1CN	3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CC(C)(N)CC(=O)NCc1cc(Br)cs1	3-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutanamide
CC(=Cc1ccc(O[C@@H]2O[C@H](C(C)=CCOc3ccc(CN(C)Cc4cccc5ccccc45)cc3Cl)[C@@H](O)[C@@H]2O)c(O)c1)C(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H]2OCO[C@H]2[C@@H]1O	N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(2S,3S,4S,5R)-5-[4-[2-chloro-4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]but-2-en-2-yl]-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxyphenyl]-2-methylprop-2-enamide
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC	[(2S)-3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropyl] octadecanoate
C=C1CCC(n2c(=C)c3cccc4c(Cc5cnn(C6(C)CCN(C(=C)CS)CC6)c5)ccc2c43)C(=C)N1	2-[4-[4-[[1-(2,6-dimethylidenepiperidin-3-yl)-2-methylidenebenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-methylpiperidin-1-yl]prop-2-ene-1-thiol
CN1/C(=C/C2=C(N3CCC[C@@H]3C(=O)NC(CS(=O)(=O)O)C(=O)NCCCCC(=O)NCc3ccc(C(Br)P(=O)(O)O)cc3)/C(=C/C3=[N+](C)c4ccccc4C3(C)C)C2=O)C(C)(C)c2ccccc21	3-[[5-[[4-[bromo(phosphono)methyl]phenyl]methylamino]-5-oxopentyl]amino]-3-oxo-2-[[(2R)-1-[(4Z)-3-oxo-4-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]-2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuten-1-yl]pyrrolidine-2-carbonyl]amino]propane-1-sulfonic acid
CC1(C)CN(C(=O)c2ccon2)CC(CO)O1	[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1,2-oxazol-3-yl)methanone
O=C(CCCCC(=O)NN=Cc1cccc(Br)c1)NCc1ccccc1	N-benzyl-N'-[(3-bromophenyl)methylideneamino]hexanediamide
CN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1nccc(-c2ccc(C(=O)NCCc3ccc4[nH]cc(C#N)c4c3)cc2)n1	N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pyrimidin-4-yl]benzamide
Cc1ccc(C(=O)OCC(=O)NCc2ccccc2)o1	[2-(benzylamino)-2-oxoethyl] 5-methylfuran-2-carboxylate
CCCCCCCCn1c(SC(C)C(=O)OC)nc2c1c(=O)[nH]c(=O)n2C	methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate
Cc1ccc(C)c(CN2C(=O)C(=O)/C(=C(\O)c3ccccc3)C2c2ccc(C(C)(C)C)cc2)c1	(4Z)-5-(4-tert-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Cc1cc(C)cc(OCC(=O)N(C)C2CCS(=O)(=O)C2)c1	2-(3,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
COc1cc(CN2C(=O)C(C3=NS(=O)(=O)c4ccccc43)=C(O)[C@@H]2C(C)(C)C)ccc1F	(2S)-2-tert-butyl-4-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxy-2H-pyrrol-5-one
CCCC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C	[(1R,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-(butanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1C	propan-2-yl 6-(furan-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
N#Cc1c(-c2ccccc2)c(C#N)c(-n2c3c(cc(-c4ccccc4)c4c5ccccc5sc43)c3cc(-c4ccccc4)c4c5ccccc5sc4c32)c(-c2ccccc2)c1-n1c2ccccc2c2cc(-c3cccc4oc5ccccc5c34)ccc21	4-(3-dibenzofuran-1-ylcarbazol-9-yl)-6-(4,26-diphenyl-12,18-dithia-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(27),2,4,6,8,10,13,16,19,21,23,25-dodecaen-15-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile
CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=O)OCC)cc1)n2C)c1ccccn1.Cl	ethyl 4-[[5-[(3-ethoxy-3-oxopropyl)-pyridin-2-ylcarbamoyl]-1-methylbenzimidazol-2-yl]methylamino]benzoate;hydrochloride
COc1ccc(CN2CCCC(C)C2CN)c(OC)c1.Cl	[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
O=C(NC1CCCC(C(F)(F)F)C1)c1ccc2c(c1)CNC2	N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CC(=O)NCc1ccc(S(=O)(=O)NCc2cccc(OC(F)F)c2)s1	N-[[5-[[3-(difluoromethoxy)phenyl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide
O=C(O)CCCSCCN1C(=O)CC[C@@H]1C=C[C@@H](O)Cc1cccc(-c2nc3ccccc3s2)c1	4-[2-[(2R)-2-[(3S)-4-[3-(1,3-benzothiazol-2-yl)phenyl]-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoic acid
CCN(CC)c1cc(CNCC(C)C)c(Cl)cn1	5-chloro-N,N-diethyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
Cc1noc([C@H]2CCCN(Cc3nnnn3CC3CCOCC3)C2)n1	3-methyl-5-[(3S)-1-[[1-(oxan-4-ylmethyl)tetrazol-5-yl]methyl]piperidin-3-yl]-1,2,4-oxadiazole
CCNCC1CCN(C(=O)CC(Cc2ccccc2)Cc2ccccc2)CC1.Cl	3-benzyl-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-phenylbutan-1-one;hydrochloride
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(N)=O	(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CCNC(=NCC1(C)CCCS1)NCC1CCN(c2ccc(F)c(F)c2)C1	1-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-ethyl-2-[(2-methylthiolan-2-yl)methyl]guanidine
CCCNc1nc(Nc2cccc(F)c2)ncc1C#C[C@@H]1CCC[C@H](NC(=O)[C@H](C)NC)C1	(2S)-N-[(1S,3R)-3-[2-[2-(3-fluoroanilino)-4-(propylamino)pyrimidin-5-yl]ethynyl]cyclohexyl]-2-(methylamino)propanamide
CCCCCCCCOC(c1cccs1)c1cccs1	2-[octoxy(thiophen-2-yl)methyl]thiophene
COCCS(=O)(=O)NC(C)c1ccc(C#CCO)cc1	N-[1-[4-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methoxyethanesulfonamide
CCc1nc(N2CCC3(CCCCC3)CC2)sc1CO	[2-(3-azaspiro[5.5]undecan-3-yl)-4-ethyl-1,3-thiazol-5-yl]methanol
CC(=O)c1ccc(NC(=O)c2ccnc(C(=O)N3CCN(C=O)CC3)c2)cc1	N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
O=C(Nc1cc(F)cc(Cl)c1)N1CC(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1	N-(3-chloro-5-fluorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide
CCCCCCC/C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O	(2S)-2-amino-3-[[(2R)-2-[(E)-heptadec-9-enoyl]oxy-3-[(E)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Cn1c(N2CCC3(CC2)Cc2ccccc2C3NC(=O)O)ncc(Sc2cccc(Cl)c2Cl)c1=O	[1'-[5-(2,3-dichlorophenyl)sulfanyl-1-methyl-6-oxopyrimidin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid
COC(OC)[C@H](N[N+]1=C([C@H](C)OC)N(Cc2ccccc2)NC1[C@H](C)OC)c1ccccc1.[Br-]	2-benzyl-N-[(1R)-2,2-dimethoxy-1-phenylethyl]-3,5-bis[(1S)-1-methoxyethyl]-1,5-dihydro-1,2,4-triazol-4-ium-4-amine;bromide
C=CCO[C@H]1O[C@H](CO)[C@@H](C)[C@H](C)[C@H]1OCc1ccccc1	[(2S,3S,4S,5R,6S)-3,4-dimethyl-5-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methanol

CN=C(NCCc1ccc(C)c(OC)c1)NCc1ccnc(-n2cccn2)c1

1-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methyl-3-[(2-pyrazol-1-ylpyridin-4-yl)methyl]guanidine

CC1(C)OB(C(F)=C2CC(COc3cc(C(F)(F)F)ccn3)C2)OC1(C)C

2-[[3-[fluoro-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]cyclobutyl]methoxy]-4-(trifluoromethyl)pyridine

Cc1cc(SCC(C)(NC2CC2)C(N)=O)n(C)n1

2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylpropanamide

CCSCCN1CC2CNCC2C1(C)C

5-(2-ethylsulfanylethyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C[C@]1(NCC2CC2)CCNC1

(3S)-N-(cyclopropylmethyl)-3-methylpyrrolidin-3-amine

CC1(C)CN(c2cccc(C(F)(F)F)c2)C(=O)c2cc([N+](=O)[O-])ccc21

4,4-dimethyl-7-nitro-2-[3-(trifluoromethyl)phenyl]-3H-isoquinolin-1-one

Cc1cccc(N2C(=O)CSC2c2cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)c1

4-methyl-N-[3-[3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-nitrobenzamide

CC(C)CCCC(C)C1CCC(C2=CC(=O)C3=CC(O)CCC3(C)C2=O)C1(C)CCO

7-hydroxy-3-[2-(2-hydroxyethyl)-2-methyl-3-(6-methylheptan-2-yl)cyclopentyl]-4a-methyl-6,7-dihydro-5H-naphthalene-1,4-dione

CCCC[NH+]1CCC(C)C1.F[B-](F)(F)F

1-butyl-3-methylpyrrolidin-1-ium;tetrafluoroborate

CC(=O)OC[C@H]1O[C@@H](ON=C(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(propan-2-ylideneamino)oxyoxan-2-yl]methyl acetate

O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1

[2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl] 4-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzoate

NNC(=S)N1CC(N2CCCC2=O)C(c2ccc(Cl)cc2)=N1

5-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrazole-2-carbothiohydrazide

CC(=O)Nc1ccc(Br)c(C)c1C

N-(4-bromo-2,3-dimethylphenyl)acetamide

CC[C@H](C)c1cc(OC)c(/C=C(\C)[N+](=O)[O-])cc1OC

1-[(2S)-butan-2-yl]-2,5-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene

COc1cc(C(F)F)c(O)c(C2(O)CC2)c1

2-(difluoromethyl)-6-(1-hydroxycyclopropyl)-4-methoxyphenol

COc1ccc(N2CC3C(O)CC(C)(C)CC3N(c3ccccc3)C2c2ccccc2)cc1

3-(4-methoxyphenyl)-7,7-dimethyl-1,2-diphenyl-4,4a,5,6,8,8a-hexahydro-2H-quinazolin-5-ol

O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCCC1=CCCCC1

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetamide

CCCc1ccc(-c2ccc(OCC34CCC(CCC)(CC3)CC4)c(C#N)c2C#N)cc1

3-[(4-propyl-1-bicyclo[2.2.2]octanyl)methoxy]-6-(4-propylphenyl)benzene-1,2-dicarbonitrile

CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CCC(F)F)C(=O)C(N)=O)C2(C)C)C(C)(C)C

tert-butyl N-[(2S)-1-[(1R,2S,5S)-2-[(1-amino-6,6-difluoro-1,2-dioxohexan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

COc1ncnc(N(C)C2CCS(=O)(=O)C2)c1N

4-N-(1,1-dioxothiolan-3-yl)-6-methoxy-4-N-methylpyrimidine-4,5-diamine

COCC(C)Cn1nnnc1-c1cc(N)ccc1C

3-[1-(3-methoxy-2-methylpropyl)tetrazol-5-yl]-4-methylaniline

CCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNCC.CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1C1CCNC1

(E)-3-(2-butyl-1-pyrrolidin-3-ylbenzimidazol-5-yl)-N-hydroxyprop-2-enamide;(E)-3-[1-[2-(ethylamino)ethyl]-2-pentylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide

CC#C/C=C\C=C(/C)N(CN(c1ccccc1)c1ccccc1)c1ccccc1

N'-[(2E,4Z)-octa-2,4-dien-6-yn-2-yl]-N,N,N'-triphenylmethanediamine

Cc1cc2c3c([n+](C)c4ccc(F)cc4c3c1)-c1cc(F)ccc1N2C

4,16-difluoro-8,11,20-trimethyl-8-aza-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14(19),15,17-decaene

CCC1CCNC(C(=O)Nc2ccccc2C(F)(F)F)C1

4-ethyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide

Cc1sc2cc(Cn3ccnc3)ccc2c1C(=O)O

6-(imidazol-1-ylmethyl)-2-methyl-1-benzothiophene-3-carboxylic acid

COc1cccc(F)c1C(O)c1cc(Cl)ccc1Cl

(2,5-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methanol

Cc1ccc(F)c(Oc2ccc3ncn([C@@H]4CCCCC(N5CCC(c6cc7c(cc6F)c(N6CCC(=O)NC6=O)nn7C)CC5)CCOC4)c(=O)c3c2)c1C#N

2-[3-[(3R)-8-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-5-fluoro-1-methylindazol-6-yl]piperidin-1-yl]oxecan-3-yl]-4-oxoquinazolin-6-yl]oxy-3-fluoro-6-methylbenzonitrile

CC(C)C1(CNCc2cnn(-c3ccccc3)n2)CC1

1-(2-phenyltriazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine

Cc1cccc2nc(C(=O)Nc3ccc(Cl)cn3)cn12

N-(5-chloropyridin-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide

COc1cnc(CCN)nc1OC

2-(4,5-dimethoxypyrimidin-2-yl)ethanamine

Cc1cc(Br)cc(C)c1CNC(=O)[C@@H]1CC[C@H](CN)O1

(2S,5R)-5-(aminomethyl)-N-[(4-bromo-2,6-dimethylphenyl)methyl]oxolane-2-carboxamide

CN.Cc1ncc(/C=C/C=O)s1

methanamine;(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enal

CC1CCCCC1C(=O)NC(CF)C(=O)O

3-fluoro-2-[(2-methylcyclohexanecarbonyl)amino]propanoic acid

CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1

(2R)-2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide

CCN(CCc1ccncc1)C1=C(c2ccccc2)C(=O)N(c2cc(C)ccc2OC)C1=O

3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione

COc1ccc(CCNC(=O)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1OC

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylsulfonylanilino)-1,3-thiazole-4-carboxamide

CCCCC12CCC(=O)C(C#N)=C1c1cc(F)c(N)c(C)c1C2

7-amino-9a-butyl-6-fluoro-8-methyl-3-oxo-2,9-dihydro-1H-fluorene-4-carbonitrile

O=C(CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCCCNC(=O)Cc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)sc2c1

(4S)-2-[6-[2-[5-[5-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]pentanoylamino]pentylamino]-2-oxoethyl]-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

CCn1cc(CC(=N)N)c(-c2ccccc2)n1

2-(1-ethyl-3-phenylpyrazol-4-yl)ethanimidamide

CC(=O)Nc1ccc(C)cc1C(C)C.CC(=O)Nc1ccc(Cl)cc1C(C)C.CC(C)c1cc(Br)ccc1NS(C)(=O)=O.CC(C)c1cc(Cl)ccc1NS(C)(=O)=O.CC(C)c1cc(F)c(F)cc1NS(C)(=O)=O.CC(C)c1cc(F)cc(Br)c1NS(C)(=O)=O.CC(C)c1cc(N)ccc1NS(C)(=O)=O.CC(C)c1cccc(N)c1.CC(C)c1ccccc1N(C)S(C)(=O)=O.CCc1ccc(NS(C)(=O)=O)c(C(C)C)c1.Cc1cc(C)cc(C(C)C)c1.Cc1cc(Cl)cc(C(C)C)c1NS(C)(=O)=O.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(N2CCCC2=O)c(C(C)C)c1.Cc1ccc(N2CCCS2(=O)=O)c(C(C)C)c1.Cc1ccc(NS(C)(=O)=O)c(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(NS(C)(=O)=O)c1C(C)C.Cc1ccccc1C(C)C

N-(4-amino-2-propan-2-ylphenyl)methanesulfonamide;N-(2-bromo-4-fluoro-6-propan-2-ylphenyl)methanesulfonamide;N-(4-bromo-2-propan-2-ylphenyl)methanesulfonamide;N-(4-chloro-2-methyl-6-propan-2-ylphenyl)methanesulfonamide;N-(4-chloro-2-propan-2-ylphenyl)acetamide;N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide;N-(4,5-difluoro-2-propan-2-ylphenyl)methanesulfonamide;1,3-dimethyl-5-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;N-(4-ethyl-2-propan-2-ylphenyl)methanesulfonamide;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-(4-methyl-2-propan-2-ylphenyl)acetamide;N-methyl-N-(2-propan-2-ylphenyl)methanesulfonamide;N-(3-methyl-2-propan-2-ylphenyl)methanesulfonamide;N-(4-methyl-2-propan-2-ylphenyl)methanesulfonamide;1-(4-methyl-2-propan-2-ylphenyl)pyrrolidin-2-one;2-(4-methyl-2-propan-2-ylphenyl)-1,2-thiazolidine 1,1-dioxide;3-propan-2-ylaniline

COc1ccc(C(=O)Nc2nnc(SCC(C)=O)s2)cc1

4-methoxy-N-[5-(2-oxopropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

O=C(Nc1cc(C2CCCC2)[nH]n1)c1cn(Cc2ccccn2)nn1

N-(5-cyclopentyl-1H-pyrazol-3-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide

Nc1ccc(C=CC(=O)NCc2cc3cc(-c4ccc(C(=O)N5CC(F)(F)C5)cc4)cc(C(F)(F)F)c3o2)cn1

3-(6-aminopyridin-3-yl)-N-[[5-[4-(3,3-difluoroazetidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide

C=C(C)C(=O)OCCOC(=O)CC(=O)c1ccccc1

2-(3-oxo-3-phenylpropanoyl)oxyethyl 2-methylprop-2-enoate

CCc1sc(C(=O)CCc2cc(C)c(OCCNC(=O)CO)c(Cl)c2)c2c1CC(C)(C)CC2

N-[2-[2-chloro-4-[3-(3-ethyl-5,5-dimethyl-6,7-dihydro-4H-2-benzothiophen-1-yl)-3-oxopropyl]-6-methylphenoxy]ethyl]-2-hydroxyacetamide

C=C(/C=N\N)c1cc2c(-c3nc4c(C5CCN(C)CC5)cccc4[nH]3)n[nH]c2cn1

(Z)-2-[3-[4-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-2-enylidenehydrazine

CCn1cc(Cl)c(CN(C)C(=O)c2cccc(COc3ccc([N+](=O)[O-])cc3)c2)n1

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-[(4-nitrophenoxy)methyl]benzamide

CCOc1ncc(Cn2cnc(CO)n2)cc1-c1cccc(F)c1

[1-[[6-ethoxy-5-(3-fluorophenyl)pyridin-3-yl]methyl]-1,2,4-triazol-3-yl]methanol

CN(c1ccccc1F)c1c(F)ccc(-c2ccccc2)c1-c1cccc(-c2cccc3ccccc23)c1

6-fluoro-N-(2-fluorophenyl)-N-methyl-2-(3-naphthalen-1-ylphenyl)-3-phenylaniline

CCCCOCCOCCNC(=NCc1ccccc1N1CCOCC1)NCC

1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine

Nc1cncc(N2CCC3(CC3)C2)c1

5-(5-azaspiro[2.4]heptan-5-yl)pyridin-3-amine

CC[C@H](N)C(=O)Nc1c(Cl)cc(F)cc1Br

(2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)butanamide

CC(OC(F)(F)F)C(C)(C)C

2,2-dimethyl-3-(trifluoromethoxy)butane

O=C1c2cc(I)ccc2NC(c2c(O)ccc3ccccc23)N1c1cccc(F)c1

3-(3-fluorophenyl)-2-(2-hydroxynaphthalen-1-yl)-6-iodo-1,2-dihydroquinazolin-4-one

COCC(NC(=O)NCCN(C)C1CCCC1)C(=O)O

2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-3-methoxypropanoic acid

CCNSc1cc(COSC)ccc1Br

N-[2-bromo-5-(methylsulfanyloxymethyl)phenyl]sulfanylethanamine

CCOc1cc(-c2ccccc2)c(O)c(-c2ccc(C)cc2)c1

4-ethoxy-2-(4-methylphenyl)-6-phenylphenol

Cc1cccc(C)c1OCCn1nc(C)c(S(=O)(=O)N2CCc3ccccc32)c1C

1-[1-[2-(2,6-dimethylphenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-2,3-dihydroindole

CCCn1cc(NC(=O)N2CCCC2C(C)(C)O)cn1

2-(2-hydroxypropan-2-yl)-N-(1-propylpyrazol-4-yl)pyrrolidine-1-carboxamide

CCCC(=O)NS(=O)(=O)C(C)(O)N1CC=C(c2ccc(C#CCC(C)C)cc2)CC1

N-[1-hydroxy-1-[4-[4-(4-methylpent-1-ynyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]sulfonylbutanamide

CC(C)COc1ccccc1-c1ccc(C#N)c(=O)n1C(C)C

6-[2-(2-methylpropoxy)phenyl]-2-oxo-1-propan-2-ylpyridine-3-carbonitrile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCOCC(COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCC

[3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-2-octanoyloxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

CC1COC(=O)N1c1ccccc1CN

3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

CC(C)(N)CC(=O)NCc1cc(Br)cs1

3-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutanamide

CC(=Cc1ccc(O[C@@H]2O[C@H](C(C)=CCOc3ccc(CN(C)Cc4cccc5ccccc45)cc3Cl)[C@@H](O)[C@@H]2O)c(O)c1)C(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H]2OCO[C@H]2[C@@H]1O

N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(2S,3S,4S,5R)-5-[4-[2-chloro-4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]but-2-en-2-yl]-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxyphenyl]-2-methylprop-2-enamide

CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC

[(2S)-3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropyl] octadecanoate

C=C1CCC(n2c(=C)c3cccc4c(Cc5cnn(C6(C)CCN(C(=C)CS)CC6)c5)ccc2c43)C(=C)N1

2-[4-[4-[[1-(2,6-dimethylidenepiperidin-3-yl)-2-methylidenebenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-methylpiperidin-1-yl]prop-2-ene-1-thiol

CN1/C(=C/C2=C(N3CCC[C@@H]3C(=O)NC(CS(=O)(=O)O)C(=O)NCCCCC(=O)NCc3ccc(C(Br)P(=O)(O)O)cc3)/C(=C/C3=[N+](C)c4ccccc4C3(C)C)C2=O)C(C)(C)c2ccccc21

3-[[5-[[4-[bromo(phosphono)methyl]phenyl]methylamino]-5-oxopentyl]amino]-3-oxo-2-[[(2R)-1-[(4Z)-3-oxo-4-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]-2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuten-1-yl]pyrrolidine-2-carbonyl]amino]propane-1-sulfonic acid

CC1(C)CN(C(=O)c2ccon2)CC(CO)O1

[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1,2-oxazol-3-yl)methanone

O=C(CCCCC(=O)NN=Cc1cccc(Br)c1)NCc1ccccc1

N-benzyl-N'-[(3-bromophenyl)methylideneamino]hexanediamide

CN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1nccc(-c2ccc(C(=O)NCCc3ccc4[nH]cc(C#N)c4c3)cc2)n1

N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pyrimidin-4-yl]benzamide

Cc1ccc(C(=O)OCC(=O)NCc2ccccc2)o1

[2-(benzylamino)-2-oxoethyl] 5-methylfuran-2-carboxylate

CCCCCCCCn1c(SC(C)C(=O)OC)nc2c1c(=O)[nH]c(=O)n2C

methyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylpropanoate

Cc1ccc(C)c(CN2C(=O)C(=O)/C(=C(\O)c3ccccc3)C2c2ccc(C(C)(C)C)cc2)c1

(4Z)-5-(4-tert-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione

Cc1cc(C)cc(OCC(=O)N(C)C2CCS(=O)(=O)C2)c1

2-(3,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

COc1cc(CN2C(=O)C(C3=NS(=O)(=O)c4ccccc43)=C(O)[C@@H]2C(C)(C)C)ccc1F

(2S)-2-tert-butyl-4-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxy-2H-pyrrol-5-one

CCCC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C

[(1R,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-(butanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1C

propan-2-yl 6-(furan-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

N#Cc1c(-c2ccccc2)c(C#N)c(-n2c3c(cc(-c4ccccc4)c4c5ccccc5sc43)c3cc(-c4ccccc4)c4c5ccccc5sc4c32)c(-c2ccccc2)c1-n1c2ccccc2c2cc(-c3cccc4oc5ccccc5c34)ccc21

4-(3-dibenzofuran-1-ylcarbazol-9-yl)-6-(4,26-diphenyl-12,18-dithia-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(27),2,4,6,8,10,13,16,19,21,23,25-dodecaen-15-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile

CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=O)OCC)cc1)n2C)c1ccccn1.Cl

ethyl 4-[[5-[(3-ethoxy-3-oxopropyl)-pyridin-2-ylcarbamoyl]-1-methylbenzimidazol-2-yl]methylamino]benzoate;hydrochloride

COc1ccc(CN2CCCC(C)C2CN)c(OC)c1.Cl

[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride

O=C(NC1CCCC(C(F)(F)F)C1)c1ccc2c(c1)CNC2

N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-isoindole-5-carboxamide

CC(=O)NCc1ccc(S(=O)(=O)NCc2cccc(OC(F)F)c2)s1

N-[[5-[[3-(difluoromethoxy)phenyl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide

O=C(O)CCCSCCN1C(=O)CC[C@@H]1C=C[C@@H](O)Cc1cccc(-c2nc3ccccc3s2)c1

4-[2-[(2R)-2-[(3S)-4-[3-(1,3-benzothiazol-2-yl)phenyl]-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoic acid

CCN(CC)c1cc(CNCC(C)C)c(Cl)cn1

5-chloro-N,N-diethyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine

Cc1noc([C@H]2CCCN(Cc3nnnn3CC3CCOCC3)C2)n1

3-methyl-5-[(3S)-1-[[1-(oxan-4-ylmethyl)tetrazol-5-yl]methyl]piperidin-3-yl]-1,2,4-oxadiazole

CCNCC1CCN(C(=O)CC(Cc2ccccc2)Cc2ccccc2)CC1.Cl

3-benzyl-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-phenylbutan-1-one;hydrochloride

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(N)=O

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

CCNC(=NCC1(C)CCCS1)NCC1CCN(c2ccc(F)c(F)c2)C1

1-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-ethyl-2-[(2-methylthiolan-2-yl)methyl]guanidine

CCCNc1nc(Nc2cccc(F)c2)ncc1C#C[C@@H]1CCC[C@H](NC(=O)[C@H](C)NC)C1

(2S)-N-[(1S,3R)-3-[2-[2-(3-fluoroanilino)-4-(propylamino)pyrimidin-5-yl]ethynyl]cyclohexyl]-2-(methylamino)propanamide

CCCCCCCCOC(c1cccs1)c1cccs1

2-[octoxy(thiophen-2-yl)methyl]thiophene

COCCS(=O)(=O)NC(C)c1ccc(C#CCO)cc1

N-[1-[4-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methoxyethanesulfonamide

CCc1nc(N2CCC3(CCCCC3)CC2)sc1CO

[2-(3-azaspiro[5.5]undecan-3-yl)-4-ethyl-1,3-thiazol-5-yl]methanol

CC(=O)c1ccc(NC(=O)c2ccnc(C(=O)N3CCN(C=O)CC3)c2)cc1

N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide

O=C(Nc1cc(F)cc(Cl)c1)N1CC(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1

N-(3-chloro-5-fluorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide

CCCCCCC/C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O

(2S)-2-amino-3-[[(2R)-2-[(E)-heptadec-9-enoyl]oxy-3-[(E)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

Cn1c(N2CCC3(CC2)Cc2ccccc2C3NC(=O)O)ncc(Sc2cccc(Cl)c2Cl)c1=O

[1'-[5-(2,3-dichlorophenyl)sulfanyl-1-methyl-6-oxopyrimidin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid

COC(OC)[C@H](N[N+]1=C([C@H](C)OC)N(Cc2ccccc2)NC1[C@H](C)OC)c1ccccc1.[Br-]

2-benzyl-N-[(1R)-2,2-dimethoxy-1-phenylethyl]-3,5-bis[(1S)-1-methoxyethyl]-1,5-dihydro-1,2,4-triazol-4-ium-4-amine;bromide

C=CCO[C@H]1O[C@H](CO)[C@@H](C)[C@H](C)[C@H]1OCc1ccccc1

[(2S,3S,4S,5R,6S)-3,4-dimethyl-5-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]methanol