AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-27

SMILES stringlengths 2 996	IUPAC stringlengths 6 1.68k
CS(=O)(=O)c1ccc(NC(=O)OCCC2CCN(C#N)CC2)c(F)c1	2-(1-cyanopiperidin-4-yl)ethyl N-(2-fluoro-4-methylsulfonylphenyl)carbamate
CC[C@@H](N[C@@H](C)CC(C)=O)c1ccc(Cl)c(C(=O)c2ccccn2)c1F	(4S)-4-[[(1R)-1-[4-chloro-2-fluoro-3-(pyridine-2-carbonyl)phenyl]propyl]amino]pentan-2-one
COc1ccc(-c2csc(-n3[nH]c(C)c(N=Nc4cc(C)ccc4C)c3=O)n2)cc1	4-[(2,5-dimethylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one
CN1Cc2c(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)nc(C3CC3)n2CC1=O	3-cyclopropyl-7-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(N)=O	(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide
COc1ccc(CN2CCN(C3(c4cccc(Br)c4)C(=O)c4ccccc4C3=O)CC2)cc1	2-(3-bromophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]indene-1,3-dione
CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4cc5c(c([N+](=O)[O-])c4)NC(C)(C)CO5)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1	N-[(3,3-dimethyl-5-nitro-2,4-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-4-[2-[(2S)-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
CN(C)c1cccc(C(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1	[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
Cc1ccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccc(C(C)(C)C)cc2)cc1	2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)(O)OP(=O)(O)O	[(2Z,6Z,10Z,14Z,18Z,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl] phosphono hydrogen phosphate
CCC1CCCCC1(CN)N(C)C1CCS(=O)(=O)C1	N-[1-(aminomethyl)-2-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CC1CCN(C(=O)c2nc(-c3cccc(NC(=O)C4CC4)c3)no2)C1	N-[3-[5-(3-methylpyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropanecarboxamide
CCN(CC)C(=O)N[C@H]1C[C@@H]2c3cccc4c3c(c(SCc3ccccc3)n4C)C[C@H]2N(C)C1	3-[(6aR,9S,10aR)-5-benzylsulfanyl-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
Fc1ccc(Oc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1	N-(1-benzylpiperidin-4-yl)-4-(4-fluorophenoxy)pyrimidin-2-amine
Cc1c(NC(=O)N[C@H]2CCN(c3ccccn3)C2)cccc1N(C)C	1-[3-(dimethylamino)-2-methylphenyl]-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CC1(C)COP(N2CCCN(P3OCC(C)(C)CO3)CC2)OC1	1,4-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-1,4-diazepane
O=CC(O)C(O)CCCl	5-chloro-2,3-dihydroxypentanal
CC(C)OC(=O)N1CC2(C1)C(=O)N(CC=O)c1ccccc12.CCOC(CN1C(=O)C2(CN(C(=O)OC(C)C)C2)c2ccccc21)OCC.Cc1nc(CN2C(=O)C3(CN(C(=O)OC(C)C)C3)c3ccccc32)[nH]c1C.Cc1nc(CN2C(=O)C3(CN(C(=O)OC(C)C)C3)c3ccccc32)n(CCCCO)c1C	propan-2-yl 1'-(2,2-diethoxyethyl)-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;propan-2-yl 1'-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;propan-2-yl 1'-[[1-(4-hydroxybutyl)-4,5-dimethylimidazol-2-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;propan-2-yl 2'-oxo-1'-(2-oxoethyl)spiro[azetidine-3,3'-indole]-1-carboxylate
COCCN(C)CC(=O)N1CCC(c2nccn2Cc2ccncc2)CC1	2-[2-methoxyethyl(methyl)amino]-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1F	3-fluoro-4-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide
CCOc1ncc([N+](=O)[O-])s1	2-ethoxy-5-nitro-1,3-thiazole
O=C(O)c1sccc1S(=O)(=O)NC1CCS(=O)(=O)CC1	3-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid
C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@H](C)NC(=O)c1cccc(C)c1	N-[(1S)-1-[5-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-3-methylbenzamide
Cc1cc(C#N)ccc1N1CCNC(=O)CC1	3-methyl-4-(5-oxo-1,4-diazepan-1-yl)benzonitrile
Cc1cc(CN=[N+]=[N-])nn1-c1cccc(-c2ccccc2OC(F)(F)F)c1	3-(azidomethyl)-5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole
CCC(O)c1ccc(N(CC)CC2CCCO2)cc1	1-[4-[ethyl(oxolan-2-ylmethyl)amino]phenyl]propan-1-ol
C/C=C\c1cc(-c2cc(-c3ccc(-c4cccnc4C)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)ccc1C	2-[3-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-5-[4-(2-methylpyridin-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CCOc1ccc(CCNC(=O)N2CCN(CCN)CC2)cc1OC	4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide
COc1ccc(CNC(=O)N2CCOCC2)c(OC)c1	N-[(2,4-dimethoxyphenyl)methyl]morpholine-4-carboxamide
COC(=O)N[C@H](C(=O)C1[C@@H]2CC[C@@H](C2)[C@H]1c1nc2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)CC([C@@H]5[C@H]7CC[C@H](C7)N5C(=O)[C@@H](NC(=O)OC)C(C)C)=N6)cc4)cc3)cc2[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4ccc5c(c4)CC([C@@H]4[C@H]6CC[C@H](C6)N4C(=O)[C@@H](NC(=O)OC)C(C)C)=N5)cc3)cc2)[nH]1)C(C)C	methyl N-[(2S)-1-[(1R,3R,4S)-3-[6-[4-[4-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]phenyl]phenyl]-1H-benzimidazol-2-yl]-2-bicyclo[2.2.1]heptanyl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
O=C(CN1CCCC1)N1CCC2(CCOCC2)CC1	1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-pyrrolidin-1-ylethanone
CCCN(C)C(=O)CN1CC(C)N2NC(c3ccc(C)cc3NC(=O)CF)C=C2C1=O	2-[2-[2-[(2-fluoroacetyl)amino]-4-methylphenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-propylacetamide
CN(C)C(CNC(=O)COc1ccccc1Cl)c1cccc(F)c1	2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CCCN(CCC)P(=O)(F)N(CCC)CCC	N-[(dipropylamino)-fluorophosphoryl]-N-propylpropan-1-amine
Nc1ccc(CNC(=O)c2ccc(-c3cc(Nc4ccc(Cl)cc4CF)ccc3O)nc2N)cc1	2-amino-N-[(4-aminophenyl)methyl]-6-[5-[4-chloro-2-(fluoromethyl)anilino]-2-hydroxyphenyl]pyridine-3-carboxamide
CCN(c1ccc(C)cc1)c1nc(=O)c2cccnc2s1	2-(N-ethyl-4-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one
C=C(CN(C)C(C)CCSC)[B-](F)(F)F	trifluoro-[3-[methyl(4-methylsulfanylbutan-2-yl)amino]prop-1-en-2-yl]boranuide
Oc1ccc2c(c1O)Cc1ccc(O)c3c1[C@H]2CNC3	(1S)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12-hexaene-5,6,12-triol
COc1ccccc1CNC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O	2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)c2c[nH]c3c(N)ncnc23)c1F	4-amino-N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
C/C=C1\C[C@@H]2[C@@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@]2(C)C1=C(C)C(=O)CC2C	(6E,8R,9R,10R,13S,14S)-6-ethylidene-1,4,10,13-tetramethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
CN(C)C(=N)N(C)N.CN(N)C(=N)N1CCC(O)C1.CN(N)C(=N)N1CCCC1.CN(N)C(=N)N1CCCCC1.CN(N)C(=N)N1CCOCC1.CN1CCN(C(=N)N(C)N)CC1.CN=C(N)N(C)N	1-amino-1,2-dimethylguanidine;N-amino-N,4-dimethylpiperazine-1-carboximidamide;N-amino-3-hydroxy-N-methylpyrrolidine-1-carboximidamide;N-amino-N-methylmorpholine-4-carboximidamide;N-amino-N-methylpiperidine-1-carboximidamide;N-amino-N-methylpyrrolidine-1-carboximidamide;1-amino-1,3,3-trimethylguanidine
CC1(C)[C@H]2CC[C@@]3(C)CC4=CC[C@H]5[C@](C)(CO)[C@H](O)CC[C@]5(C)[C@H]4CC[C@H]3[C@@]2(C)CC[C@@H]1O	(3S,6S,8S,11R,12R,15S,16R,19R,20R,21R)-20-(hydroxymethyl)-3,7,7,11,16,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol
CC1=CC(=NOS(C)(=O)=O)C=CC1=O	[(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] methanesulfonate
CCC(CN)CC(=O)N(C)C1CCOC1C	3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)pentanamide
C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)C(F)(F)F)cc1	2,2,2-trifluoro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide
CCCCc1c(-c2ccc(C)cc2)c(=O)[nH]n1C(C)(C)C	3-butyl-2-tert-butyl-4-(4-methylphenyl)-1H-pyrazol-5-one
Cc1[nH][nH]c(=S)c1N	4-amino-5-methyl-1,2-dihydropyrazole-3-thione
CC(C)(C)OC(=O)N1CCC(C(=O)NC2CCN(c3ccccc3)C2)C1	tert-butyl 3-[(1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-1-carboxylate
CCNC(=O)CCn1cncc1C1(C)CCNCC1	N-ethyl-3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanamide
CC(C)N1CCC2CN(C(=O)COc3ccccc3)CCC2CC1=O	2-(2-phenoxyacetyl)-7-propan-2-yl-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepin-6-one
CC(C)C(/C=C/c1ccc(F)cc1)C(=O)OCc1ccc(F)c(Oc2ccccc2)c1	(4-fluoro-3-phenoxyphenyl)methyl (E)-4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate
CCC1[n+]2cnc(-c3cc(C)cc(C)c3)cc2-c2cc(C)cc(C)c2C1(C)CC	2-(3,5-dimethylphenyl)-6,7-diethyl-7,8,10-trimethyl-6H-pyrimido[6,1-a]isoquinolin-5-ium
COC[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@H]1c1cnn(C)c1	2-chloro-4-[(3S,4R)-3-(methoxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]benzonitrile
C=C(C)[C@H]1CCC(COC)=C[C@@H]1c1c(O)cc(CCCCCC(F)(F)F)cc1C(C)C	2-[(1S,6S)-3-(methoxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-propan-2-yl-5-(6,6,6-trifluorohexyl)phenol
CN1C(=O)[C@@H](NC(c2ccccc2)(c2ccccc2)c2ccccc2)COc2ccc(C#CCCCO)cc21	(3S)-7-(5-hydroxypent-1-ynyl)-5-methyl-3-(tritylamino)-2,3-dihydro-1,5-benzoxazepin-4-one
CCn1cc(CN2CCN(C(=O)CCCCCN3C(=O)c4ccccc4C3=O)CC2)c(C)n1	2-[6-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-6-oxohexyl]isoindole-1,3-dione
CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCc1cc(O)ccc1O	2-(3,7,11,15,19,23,27,31-octamethyldotriacontyl)benzene-1,4-diol
CCOC(=O)c1csc(NC(=O)c2cc(C)cc(C)c2)n1	ethyl 2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CCOc1cc(CNCC2CCNCC2)c(Cl)cc1OCC(=O)NC(C)(C)C	N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(piperidin-4-ylmethylamino)methyl]phenoxy]acetamide
CCCCCCCCCCCCCC(C)n1ccnc1C(CCCCCCCCC)CCCCCCCCCCC	2-henicosan-10-yl-1-pentadecan-2-ylimidazole
O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC(=S)N1Cc1ccccc1	(5Z)-3-benzyl-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CN(F)c1cc(OCCOCCOC(=O)[C@@H]2CCCN2)c(NC2CCOCC2)nc1Nc1ccc(C#N)cn1	2-[2-[6-[(5-cyanopyridin-2-yl)amino]-5-[fluoro(methyl)amino]-2-(oxan-4-ylamino)pyridin-3-yl]oxyethoxy]ethyl (2S)-pyrrolidine-2-carboxylate
O=C(O)c1sc(N2CCC(N3CCCCC3)CC2)nc1-c1ccccc1Cl	4-(2-chlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CCOc1cccc([N+](=O)[O-])c1NC(C)=O	N-(2-ethoxy-6-nitrophenyl)acetamide
CC=CC=CC(=O)NCCc1ccccc1	N-(2-phenylethyl)hexa-2,4-dienamide
O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(N2CCCS2(=O)=O)c1	N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nc(N2CCCC2)ncc1Cl	(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CCC(=O)N1CC(C2CN(CC)C2)C1	1-[3-(1-ethylazetidin-3-yl)azetidin-1-yl]propan-1-one
Cc1cc(N(Cc2cccs2)CC2CCCO2)ncc1[N+](=O)[O-]	4-methyl-5-nitro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CC(C)(C)c1cc(/C=C(/N)OC2S[C@@H]3CC(=O)N3C(C(=O)OC(c3ccccc3)c3ccccc3)=C2SC(Sc2cn[nH]n2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O	benzhydryl (6R)-4-[(Z)-1-amino-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenoxy]-8-oxo-3-[2,2,2-triphenyl-1-(2H-triazol-4-ylsulfanyl)ethyl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Cc1ccc(S(=O)(=O)NCC(=O)N2CCOC(c3ccccc3)C2)cc1	4-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CCCCCCc1nc(C(N)CCC)no1	1-(5-hexyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CCOC(=O)C1CNc2c(Cl)ccc3oc(Cn4cc(Cl)cn4)c(c23)C1	ethyl 7-chloro-2-[(4-chloropyrazol-1-yl)methyl]-3-oxa-9-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-11-carboxylate
CCOCCN1CC[NH+](CCCCN2C(=O)CCC(=O)c3ccccc32)CC1.O=C([O-])C(F)(F)F	1-[4-[4-(2-ethoxyethyl)piperazin-1-ium-1-yl]butyl]-3,4-dihydro-1-benzazepine-2,5-dione;2,2,2-trifluoroacetate
O=C(c1cn[nH]n1)N1CCN(c2ccc3c(=O)n(C4CCCC4)cnc3c2)CC1	3-cyclopentyl-7-[4-(2H-triazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one
CCC(/C=C/C(C)C1CCC2C3CC(OC)C4CCCCC4(C)C3CC[C@]12C)C(C)C.CCCC(CC)OC	(13R)-17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-6-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxyhexane
CC(C)c1ccc(N(c2ccc3cc4c(cc3c2)C(C)(C)c2c-4ccc3c2C(C)(C)c2cc4ccccc4cc2-3)c2ccc3cc4c(cc3c2)C(C)(C)c2c-4ccc3c2C(C)(C)c2cc4ccccc4cc2-3)cc1.CC1(C)c2cc3ccccc3cc2-c2ccc3c(c21)C(C)(C)c1cc2cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5cc6c(cc5c4)C(C)(C)c4c-6ccc5c4C(C)(C)c4cc6ccccc6cc4-5)ccc2cc1-3.CC1(C)c2cc3ccccc3cc2-c2ccc3c(c21)C(C)(C)c1cc2cc(N(c4ccccc4)c4ccc5cc6c(cc5c4)C(C)(C)c4c-6ccc5c4C(C)(C)c4cc6ccccc6cc4-5)ccc2cc1-3	3,3,28,28-tetramethyl-N-(4-phenylphenyl)-N-(3,3,28,28-tetramethyl-8-heptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaenyl)heptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaen-8-amine;3,3,28,28-tetramethyl-N-phenyl-N-(3,3,28,28-tetramethyl-8-heptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaenyl)heptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaen-8-amine;3,3,28,28-tetramethyl-N-(4-propan-2-ylphenyl)-N-(3,3,28,28-tetramethyl-8-heptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaenyl)heptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaen-8-amine
CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1CN1CCCC1	(2R)-2-naphthalen-1-yloxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CCNCc1cccc(CN(C)CCC(C)C)n1	N-[[6-(ethylaminomethyl)pyridin-2-yl]methyl]-N,3-dimethylbutan-1-amine
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H](C(C)=O)C[C@H](O)[C@]32O)C1	[(3S,8S,9R,10R,13R,14S,15S,17S)-17-acetyl-14,15-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
CN1C(=CC2=CC(=CC3=CC=CC(=Cc4cc(C=C5Oc6ccc(S(=O)(=O)O)cc6N5C)c5ccccc5[n+]4-c4ccccc4)C3CCC(=O)NCCCCC(=O)OC3C(=O)CCC3=O)N(c3ccccc3)c3ccccc32)Oc2ccccc21	2-[[2-[[6-[3-[[5-(2,5-dioxocyclopentyl)oxy-5-oxopentyl]amino]-3-oxopropyl]-5-[[4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-phenylquinolin-2-ylidene]methyl]cyclohexa-2,4-dien-1-ylidene]methyl]-1-phenylquinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzoxazole-5-sulfonic acid
NS(=O)(=O)CC(=O)c1cccc(Cl)c1	2-(3-chlorophenyl)-2-oxoethanesulfonamide
CCCNC(C)c1csc(N2CCN(C)CC2)n1	N-[1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CCC(C(=O)N(C)CCc1cccs1)C(N)=S	2-carbamothioyl-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
CS(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1	2-(N-methylsulfonyl-3-nitroanilino)-N-naphthalen-2-ylacetamide
[13CH3][13CH](O)c1ccccc1	1-phenyl(1,2-13C2)ethanol
c1ccc(-n2c3ccc(-c4cccc5c4c4ccccc4n5-c4ccc5ccccc5c4)cc3c3cccnc32)cc1	6-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylpyrido[2,3-b]indole
CC(O)CN(C)CC1(CS)CCC1	1-[methyl-[[1-(sulfanylmethyl)cyclobutyl]methyl]amino]propan-2-ol
CNC(C)(C)C(=O)Nc1cnc(Cl)c(Br)c1	N-(5-bromo-6-chloropyridin-3-yl)-2-methyl-2-(methylamino)propanamide
CNC1C(N(CCC(C)C)CCC(C)C)CCC1(C)C	2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclopentane-1,2-diamine
CC(C)C(NC(=O)c1ccco1)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1	N-[1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
Nc1ncc2c(n1)C1(CCCN(C(=O)c3cn[nH]c3)C1)CC2.O=CO	(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrazol-4-yl)methanone;formic acid
CCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCC	(3-nonanoyloxy-2-pentacosanoyloxypropyl) (Z)-hexatriacont-25-enoate
Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2c1N1CCO[C@H](N2)[C@@H]1O	(9S,13S)-3-amino-5-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-10-oxa-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol
NCC#Cc1ccc(NC(=O)c2cc3sccc3s2)cc1	N-[4-(3-aminoprop-1-ynyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide
CCOC(C)CNc1cc(F)cc([N+](=O)[O-])c1	N-(2-ethoxypropyl)-3-fluoro-5-nitroaniline
CCC(C)c1ccc(NC(=S)N2CCN(Cc3ccccc3)CC2)cc1	4-benzyl-N-(4-butan-2-ylphenyl)piperazine-1-carbothioamide
CCCC(CCC)c1cc(C)n2nc(-c3ccc(C)cc3C)n(C)c(=O)c12	2-(2,4-dimethylphenyl)-5-heptan-4-yl-3,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-one
CC(C)c1nc(SCC(O)CO)n[nH]1	3-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propane-1,2-diol

CS(=O)(=O)c1ccc(NC(=O)OCCC2CCN(C#N)CC2)c(F)c1

2-(1-cyanopiperidin-4-yl)ethyl N-(2-fluoro-4-methylsulfonylphenyl)carbamate

CC[C@@H](N[C@@H](C)CC(C)=O)c1ccc(Cl)c(C(=O)c2ccccn2)c1F

(4S)-4-[[(1R)-1-[4-chloro-2-fluoro-3-(pyridine-2-carbonyl)phenyl]propyl]amino]pentan-2-one

COc1ccc(-c2csc(-n3[nH]c(C)c(N=Nc4cc(C)ccc4C)c3=O)n2)cc1

4-[(2,5-dimethylphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazol-3-one

CN1Cc2c(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)nc(C3CC3)n2CC1=O

3-cyclopropyl-7-methyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(N)=O

(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide

COc1ccc(CN2CCN(C3(c4cccc(Br)c4)C(=O)c4ccccc4C3=O)CC2)cc1

2-(3-bromophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]indene-1,3-dione

CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4cc5c(c([N+](=O)[O-])c4)NC(C)(C)CO5)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1

N-[(3,3-dimethyl-5-nitro-2,4-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-4-[2-[(2S)-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

CN(C)c1cccc(C(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1

[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone

Cc1ccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccc(C(C)(C)C)cc2)cc1

2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)(O)OP(=O)(O)O

[(2Z,6Z,10Z,14Z,18Z,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl] phosphono hydrogen phosphate

CCC1CCCCC1(CN)N(C)C1CCS(=O)(=O)C1

N-[1-(aminomethyl)-2-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine

CC1CCN(C(=O)c2nc(-c3cccc(NC(=O)C4CC4)c3)no2)C1

N-[3-[5-(3-methylpyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropanecarboxamide

CCN(CC)C(=O)N[C@H]1C[C@@H]2c3cccc4c3c(c(SCc3ccccc3)n4C)C[C@H]2N(C)C1

3-[(6aR,9S,10aR)-5-benzylsulfanyl-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea

Fc1ccc(Oc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1

N-(1-benzylpiperidin-4-yl)-4-(4-fluorophenoxy)pyrimidin-2-amine

Cc1c(NC(=O)N[C@H]2CCN(c3ccccn3)C2)cccc1N(C)C

1-[3-(dimethylamino)-2-methylphenyl]-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea

CC1(C)COP(N2CCCN(P3OCC(C)(C)CO3)CC2)OC1

1,4-bis(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)-1,4-diazepane

O=CC(O)C(O)CCCl

5-chloro-2,3-dihydroxypentanal

CC(C)OC(=O)N1CC2(C1)C(=O)N(CC=O)c1ccccc12.CCOC(CN1C(=O)C2(CN(C(=O)OC(C)C)C2)c2ccccc21)OCC.Cc1nc(CN2C(=O)C3(CN(C(=O)OC(C)C)C3)c3ccccc32)[nH]c1C.Cc1nc(CN2C(=O)C3(CN(C(=O)OC(C)C)C3)c3ccccc32)n(CCCCO)c1C

propan-2-yl 1'-(2,2-diethoxyethyl)-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;propan-2-yl 1'-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;propan-2-yl 1'-[[1-(4-hydroxybutyl)-4,5-dimethylimidazol-2-yl]methyl]-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;propan-2-yl 2'-oxo-1'-(2-oxoethyl)spiro[azetidine-3,3'-indole]-1-carboxylate

COCCN(C)CC(=O)N1CCC(c2nccn2Cc2ccncc2)CC1

2-[2-methoxyethyl(methyl)amino]-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1F

3-fluoro-4-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide

CCOc1ncc([N+](=O)[O-])s1

2-ethoxy-5-nitro-1,3-thiazole

O=C(O)c1sccc1S(=O)(=O)NC1CCS(=O)(=O)CC1

3-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid

C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@H](C)NC(=O)c1cccc(C)c1

N-[(1S)-1-[5-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-3-methylbenzamide

Cc1cc(C#N)ccc1N1CCNC(=O)CC1

3-methyl-4-(5-oxo-1,4-diazepan-1-yl)benzonitrile

Cc1cc(CN=[N+]=[N-])nn1-c1cccc(-c2ccccc2OC(F)(F)F)c1

3-(azidomethyl)-5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole

CCC(O)c1ccc(N(CC)CC2CCCO2)cc1

1-[4-[ethyl(oxolan-2-ylmethyl)amino]phenyl]propan-1-ol

C/C=C\c1cc(-c2cc(-c3ccc(-c4cccnc4C)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)ccc1C

2-[3-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-5-[4-(2-methylpyridin-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

CCOc1ccc(CCNC(=O)N2CCN(CCN)CC2)cc1OC

4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide

COc1ccc(CNC(=O)N2CCOCC2)c(OC)c1

N-[(2,4-dimethoxyphenyl)methyl]morpholine-4-carboxamide

COC(=O)N[C@H](C(=O)C1[C@@H]2CC[C@@H](C2)[C@H]1c1nc2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)CC([C@@H]5[C@H]7CC[C@H](C7)N5C(=O)[C@@H](NC(=O)OC)C(C)C)=N6)cc4)cc3)cc2[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4ccc5c(c4)CC([C@@H]4[C@H]6CC[C@H](C6)N4C(=O)[C@@H](NC(=O)OC)C(C)C)=N5)cc3)cc2)[nH]1)C(C)C

methyl N-[(2S)-1-[(1R,3R,4S)-3-[6-[4-[4-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]phenyl]phenyl]-1H-benzimidazol-2-yl]-2-bicyclo[2.2.1]heptanyl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

O=C(CN1CCCC1)N1CCC2(CCOCC2)CC1

1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-pyrrolidin-1-ylethanone

CCCN(C)C(=O)CN1CC(C)N2NC(c3ccc(C)cc3NC(=O)CF)C=C2C1=O

2-[2-[2-[(2-fluoroacetyl)amino]-4-methylphenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-propylacetamide

CN(C)C(CNC(=O)COc1ccccc1Cl)c1cccc(F)c1

2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide

CCCN(CCC)P(=O)(F)N(CCC)CCC

N-[(dipropylamino)-fluorophosphoryl]-N-propylpropan-1-amine

Nc1ccc(CNC(=O)c2ccc(-c3cc(Nc4ccc(Cl)cc4CF)ccc3O)nc2N)cc1

2-amino-N-[(4-aminophenyl)methyl]-6-[5-[4-chloro-2-(fluoromethyl)anilino]-2-hydroxyphenyl]pyridine-3-carboxamide

CCN(c1ccc(C)cc1)c1nc(=O)c2cccnc2s1

2-(N-ethyl-4-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one

C=C(CN(C)C(C)CCSC)[B-](F)(F)F

trifluoro-[3-[methyl(4-methylsulfanylbutan-2-yl)amino]prop-1-en-2-yl]boranuide

Oc1ccc2c(c1O)Cc1ccc(O)c3c1[C@H]2CNC3

(1S)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12-hexaene-5,6,12-triol

COc1ccccc1CNC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O

2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide

CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)c2c[nH]c3c(N)ncnc23)c1F

4-amino-N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

C/C=C1\C[C@@H]2[C@@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@]2(C)C1=C(C)C(=O)CC2C

(6E,8R,9R,10R,13S,14S)-6-ethylidene-1,4,10,13-tetramethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione

CN(C)C(=N)N(C)N.CN(N)C(=N)N1CCC(O)C1.CN(N)C(=N)N1CCCC1.CN(N)C(=N)N1CCCCC1.CN(N)C(=N)N1CCOCC1.CN1CCN(C(=N)N(C)N)CC1.CN=C(N)N(C)N

1-amino-1,2-dimethylguanidine;N-amino-N,4-dimethylpiperazine-1-carboximidamide;N-amino-3-hydroxy-N-methylpyrrolidine-1-carboximidamide;N-amino-N-methylmorpholine-4-carboximidamide;N-amino-N-methylpiperidine-1-carboximidamide;N-amino-N-methylpyrrolidine-1-carboximidamide;1-amino-1,3,3-trimethylguanidine

CC1(C)[C@H]2CC[C@@]3(C)CC4=CC[C@H]5[C@](C)(CO)[C@H](O)CC[C@]5(C)[C@H]4CC[C@H]3[C@@]2(C)CC[C@@H]1O

(3S,6S,8S,11R,12R,15S,16R,19R,20R,21R)-20-(hydroxymethyl)-3,7,7,11,16,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol

CC1=CC(=NOS(C)(=O)=O)C=CC1=O

[(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] methanesulfonate

CCC(CN)CC(=O)N(C)C1CCOC1C

3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)pentanamide

C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)C(F)(F)F)cc1

2,2,2-trifluoro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide

CCCCc1c(-c2ccc(C)cc2)c(=O)[nH]n1C(C)(C)C

3-butyl-2-tert-butyl-4-(4-methylphenyl)-1H-pyrazol-5-one

Cc1[nH][nH]c(=S)c1N

4-amino-5-methyl-1,2-dihydropyrazole-3-thione

CC(C)(C)OC(=O)N1CCC(C(=O)NC2CCN(c3ccccc3)C2)C1

tert-butyl 3-[(1-phenylpyrrolidin-3-yl)carbamoyl]pyrrolidine-1-carboxylate

CCNC(=O)CCn1cncc1C1(C)CCNCC1

N-ethyl-3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanamide

CC(C)N1CCC2CN(C(=O)COc3ccccc3)CCC2CC1=O

2-(2-phenoxyacetyl)-7-propan-2-yl-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepin-6-one

CC(C)C(/C=C/c1ccc(F)cc1)C(=O)OCc1ccc(F)c(Oc2ccccc2)c1

(4-fluoro-3-phenoxyphenyl)methyl (E)-4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate

CCC1[n+]2cnc(-c3cc(C)cc(C)c3)cc2-c2cc(C)cc(C)c2C1(C)CC

2-(3,5-dimethylphenyl)-6,7-diethyl-7,8,10-trimethyl-6H-pyrimido[6,1-a]isoquinolin-5-ium

COC[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@H]1c1cnn(C)c1

2-chloro-4-[(3S,4R)-3-(methoxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]benzonitrile

C=C(C)[C@H]1CCC(COC)=C[C@@H]1c1c(O)cc(CCCCCC(F)(F)F)cc1C(C)C

2-[(1S,6S)-3-(methoxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-propan-2-yl-5-(6,6,6-trifluorohexyl)phenol

CN1C(=O)[C@@H](NC(c2ccccc2)(c2ccccc2)c2ccccc2)COc2ccc(C#CCCCO)cc21

(3S)-7-(5-hydroxypent-1-ynyl)-5-methyl-3-(tritylamino)-2,3-dihydro-1,5-benzoxazepin-4-one

CCn1cc(CN2CCN(C(=O)CCCCCN3C(=O)c4ccccc4C3=O)CC2)c(C)n1

2-[6-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-6-oxohexyl]isoindole-1,3-dione

CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCc1cc(O)ccc1O

2-(3,7,11,15,19,23,27,31-octamethyldotriacontyl)benzene-1,4-diol

CCOC(=O)c1csc(NC(=O)c2cc(C)cc(C)c2)n1

ethyl 2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazole-4-carboxylate

CCOc1cc(CNCC2CCNCC2)c(Cl)cc1OCC(=O)NC(C)(C)C

N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(piperidin-4-ylmethylamino)methyl]phenoxy]acetamide

CCCCCCCCCCCCCC(C)n1ccnc1C(CCCCCCCCC)CCCCCCCCCCC

2-henicosan-10-yl-1-pentadecan-2-ylimidazole

O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC(=S)N1Cc1ccccc1

(5Z)-3-benzyl-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

CN(F)c1cc(OCCOCCOC(=O)[C@@H]2CCCN2)c(NC2CCOCC2)nc1Nc1ccc(C#N)cn1

2-[2-[6-[(5-cyanopyridin-2-yl)amino]-5-[fluoro(methyl)amino]-2-(oxan-4-ylamino)pyridin-3-yl]oxyethoxy]ethyl (2S)-pyrrolidine-2-carboxylate

O=C(O)c1sc(N2CCC(N3CCCCC3)CC2)nc1-c1ccccc1Cl

4-(2-chlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

CCOc1cccc([N+](=O)[O-])c1NC(C)=O

N-(2-ethoxy-6-nitrophenyl)acetamide

CC=CC=CC(=O)NCCc1ccccc1

N-(2-phenylethyl)hexa-2,4-dienamide

O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc(N2CCCS2(=O)=O)c1

N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nc(N2CCCC2)ncc1Cl

(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone

CCC(=O)N1CC(C2CN(CC)C2)C1

1-[3-(1-ethylazetidin-3-yl)azetidin-1-yl]propan-1-one

Cc1cc(N(Cc2cccs2)CC2CCCO2)ncc1[N+](=O)[O-]

4-methyl-5-nitro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine

CC(C)(C)c1cc(/C=C(/N)OC2S[C@@H]3CC(=O)N3C(C(=O)OC(c3ccccc3)c3ccccc3)=C2SC(Sc2cn[nH]n2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O

benzhydryl (6R)-4-[(Z)-1-amino-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenoxy]-8-oxo-3-[2,2,2-triphenyl-1-(2H-triazol-4-ylsulfanyl)ethyl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Cc1ccc(S(=O)(=O)NCC(=O)N2CCOC(c3ccccc3)C2)cc1

4-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

CCCCCCc1nc(C(N)CCC)no1

1-(5-hexyl-1,2,4-oxadiazol-3-yl)butan-1-amine

CCOC(=O)C1CNc2c(Cl)ccc3oc(Cn4cc(Cl)cn4)c(c23)C1

ethyl 7-chloro-2-[(4-chloropyrazol-1-yl)methyl]-3-oxa-9-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-11-carboxylate

CCOCCN1CC[NH+](CCCCN2C(=O)CCC(=O)c3ccccc32)CC1.O=C([O-])C(F)(F)F

1-[4-[4-(2-ethoxyethyl)piperazin-1-ium-1-yl]butyl]-3,4-dihydro-1-benzazepine-2,5-dione;2,2,2-trifluoroacetate

O=C(c1cn[nH]n1)N1CCN(c2ccc3c(=O)n(C4CCCC4)cnc3c2)CC1

3-cyclopentyl-7-[4-(2H-triazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one

CCC(/C=C/C(C)C1CCC2C3CC(OC)C4CCCCC4(C)C3CC[C@]12C)C(C)C.CCCC(CC)OC

(13R)-17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-6-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxyhexane

CC(C)c1ccc(N(c2ccc3cc4c(cc3c2)C(C)(C)c2c-4ccc3c2C(C)(C)c2cc4ccccc4cc2-3)c2ccc3cc4c(cc3c2)C(C)(C)c2c-4ccc3c2C(C)(C)c2cc4ccccc4cc2-3)cc1.CC1(C)c2cc3ccccc3cc2-c2ccc3c(c21)C(C)(C)c1cc2cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5cc6c(cc5c4)C(C)(C)c4c-6ccc5c4C(C)(C)c4cc6ccccc6cc4-5)ccc2cc1-3.CC1(C)c2cc3ccccc3cc2-c2ccc3c(c21)C(C)(C)c1cc2cc(N(c4ccccc4)c4ccc5cc6c(cc5c4)C(C)(C)c4c-6ccc5c4C(C)(C)c4cc6ccccc6cc4-5)ccc2cc1-3

3,3,28,28-tetramethyl-N-(4-phenylphenyl)-N-(3,3,28,28-tetramethyl-8-heptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaenyl)heptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaen-8-amine;3,3,28,28-tetramethyl-N-phenyl-N-(3,3,28,28-tetramethyl-8-heptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaenyl)heptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaen-8-amine;3,3,28,28-tetramethyl-N-(4-propan-2-ylphenyl)-N-(3,3,28,28-tetramethyl-8-heptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaenyl)heptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaen-8-amine

CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1CN1CCCC1

(2R)-2-naphthalen-1-yloxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide

CCNCc1cccc(CN(C)CCC(C)C)n1

N-[[6-(ethylaminomethyl)pyridin-2-yl]methyl]-N,3-dimethylbutan-1-amine

CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H](C(C)=O)C[C@H](O)[C@]32O)C1

[(3S,8S,9R,10R,13R,14S,15S,17S)-17-acetyl-14,15-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

CN1C(=CC2=CC(=CC3=CC=CC(=Cc4cc(C=C5Oc6ccc(S(=O)(=O)O)cc6N5C)c5ccccc5[n+]4-c4ccccc4)C3CCC(=O)NCCCCC(=O)OC3C(=O)CCC3=O)N(c3ccccc3)c3ccccc32)Oc2ccccc21

2-[[2-[[6-[3-[[5-(2,5-dioxocyclopentyl)oxy-5-oxopentyl]amino]-3-oxopropyl]-5-[[4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-phenylquinolin-2-ylidene]methyl]cyclohexa-2,4-dien-1-ylidene]methyl]-1-phenylquinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzoxazole-5-sulfonic acid

NS(=O)(=O)CC(=O)c1cccc(Cl)c1

2-(3-chlorophenyl)-2-oxoethanesulfonamide

CCCNC(C)c1csc(N2CCN(C)CC2)n1

N-[1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

CCC(C(=O)N(C)CCc1cccs1)C(N)=S

2-carbamothioyl-N-methyl-N-(2-thiophen-2-ylethyl)butanamide

CS(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1

2-(N-methylsulfonyl-3-nitroanilino)-N-naphthalen-2-ylacetamide

[13CH3][13CH](O)c1ccccc1

1-phenyl(1,2-13C2)ethanol

c1ccc(-n2c3ccc(-c4cccc5c4c4ccccc4n5-c4ccc5ccccc5c4)cc3c3cccnc32)cc1

6-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylpyrido[2,3-b]indole

CC(O)CN(C)CC1(CS)CCC1

1-[methyl-[[1-(sulfanylmethyl)cyclobutyl]methyl]amino]propan-2-ol

CNC(C)(C)C(=O)Nc1cnc(Cl)c(Br)c1

N-(5-bromo-6-chloropyridin-3-yl)-2-methyl-2-(methylamino)propanamide

CNC1C(N(CCC(C)C)CCC(C)C)CCC1(C)C

2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclopentane-1,2-diamine

CC(C)C(NC(=O)c1ccco1)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1

N-[1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

Nc1ncc2c(n1)C1(CCCN(C(=O)c3cn[nH]c3)C1)CC2.O=CO

(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrazol-4-yl)methanone;formic acid

CCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCC

(3-nonanoyloxy-2-pentacosanoyloxypropyl) (Z)-hexatriacont-25-enoate

Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2c1N1CCO[C@H](N2)[C@@H]1O

(9S,13S)-3-amino-5-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-10-oxa-1,4,6,8-tetrazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-ol

NCC#Cc1ccc(NC(=O)c2cc3sccc3s2)cc1

N-[4-(3-aminoprop-1-ynyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide

CCOC(C)CNc1cc(F)cc([N+](=O)[O-])c1

N-(2-ethoxypropyl)-3-fluoro-5-nitroaniline

CCC(C)c1ccc(NC(=S)N2CCN(Cc3ccccc3)CC2)cc1

4-benzyl-N-(4-butan-2-ylphenyl)piperazine-1-carbothioamide

CCCC(CCC)c1cc(C)n2nc(-c3ccc(C)cc3C)n(C)c(=O)c12

2-(2,4-dimethylphenyl)-5-heptan-4-yl-3,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-one

CC(C)c1nc(SCC(O)CO)n[nH]1

3-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propane-1,2-diol