AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-36

SMILES stringlengths 2 786	IUPAC stringlengths 6 1.27k
CCOC(=O)C1CCN(C(=O)Cn2nc(C)n3nc(-c4ccc(OC)cc4)cc3c2=O)CC1	ethyl 1-[2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetyl]piperidine-4-carboxylate
O=C(Nc1ccc(C2OCC(=O)N(CC3CCCCC3)C2CO)cc1)c1ccccn1	N-[4-[4-(cyclohexylmethyl)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide
Cc1ccc(CCC[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@H](O)C(=O)NO)cc1	(2S,3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,2-dihydroxy-6-(4-methylphenyl)hexanamide
CCCCCCC/C=C\C/C=C\CCCCCCCCCCCCCC(=O)OC(COCCCCCCCC/C=C\CCCCCCC)COC1OC(CO)C(O)C(O)C1O	[1-[(Z)-heptadec-9-enoxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (15Z,18Z)-hexacosa-15,18-dienoate
CCOC1=C(N=Nc2c(C)[nH]n(-c3nc(-c4ccccc4)cs3)c2=O)C=CC(C)C1	4-[(2-ethoxy-4-methylcyclohexa-1,5-dien-1-yl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
CCCCCCCCc1ccnc(-c2ccccc2OC(=O)CCC(C)CC)c1	[2-(4-octylpyridin-2-yl)phenyl] 4-methylhexanoate
CC[C@@H](C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1	(3S)-N-[4-[(2R)-butan-2-yl]phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1.CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1	2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoic acid
c1ccc(Sc2ccc(C3(c4ccc(Sc5ccccc5)cc4)c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)cc1	13,13-bis(4-phenylsulfanylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC1OC1(C)CC(C)(C)COC1CCCCO1	2-[3-[3-[(3Z,6Z,9Z,12Z,15Z)-henicosa-3,6,9,12,15-pentaenyl]-2-methyloxiran-2-yl]-2,2-dimethylpropoxy]oxane
O=C1NC(=Nc2ccccc2C(F)(F)F)/C(=C/c2ccccc2)S1	(5Z)-5-benzylidene-4-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one
CCCCc1cn2c(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nnc2c2ccccc12	6-butyl-3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinoline
OC1CCNCC1Cc1ccco1	3-(furan-2-ylmethyl)piperidin-4-ol
C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)C=C(C)C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](OC(=O)C=C(C)C)[C@H](O)[C@]2(CO)[C@H](O)C1	[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate
Cn1nccc1S(=O)(=O)N[C@@H](c1ccccc1)c1cccnc1	2-methyl-N-[(S)-phenyl(pyridin-3-yl)methyl]pyrazole-3-sulfonamide
C[C@H]1CCN1c1nc(N2CC(CC(=O)O)C2)c2c(n1)C(F)(F)CC2	2-[1-[7,7-difluoro-2-[(2S)-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetic acid
Cc1ncc(C(=O)C(C)C)s1	2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one
NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2CCS(=O)(=O)c2cccc(Cl)c2F)c2ccccc21	3-[[(2S,4R)-2-[2-(3-chloro-2-fluorophenyl)sulfonylethyl]-4-fluoropyrrolidine-1-carbonyl]amino]indole-1-carboxamide
Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1OC1CCC(N2C(=O)N(C)C(C)(C)C2=O)CC1	3-[4-[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxopyridin-4-yl]oxycyclohexyl]-1,5,5-trimethylimidazolidine-2,4-dione
COc1ccc(Cl)cc1C(=O)C1(CN)CCCCC1	[1-(aminomethyl)cyclohexyl]-(5-chloro-2-methoxyphenyl)methanone
C=CCN(CC)C(=O)c1cccnc1Nc1ccc2c(c1)C(NS(=O)(=O)c1ccc(CC)cc1)CC2	N-ethyl-2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-N-prop-2-enylpyridine-3-carboxamide
CC(=O)c1ccc(N=C(N)N)cc1	2-(4-acetylphenyl)guanidine
CCOc1ccc(C=CC(=O)Nc2sc3c(c2C(N)=O)CCC(C)C3)cc1OC	2-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N#[N+]c1ccc(O)c2c1C(=O)c1ccccc1C2=O.N#[N+]c1ccc(O)c2c1C(=O)c1ccccc1C2=O.O=S(=O)([O-])[O-]	4-hydroxy-9,10-dioxoanthracene-1-diazonium;sulfate
CN(C)C=C(SC1=NC(c2ccccc2)=NC(=O)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1	6-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]sulfanyl-2-phenyl-5-(triphenyl-λ5-phosphanylidene)pyrimidin-4-one
CC(C)S(=O)(=O)N(CCC(N)=O)Cc1ccccc1	3-[benzyl(propan-2-ylsulfonyl)amino]propanamide
CCc1ccc(-c2ccc(CNC(C)C)c(=O)n2C2CC2)cc1	1-cyclopropyl-6-(4-ethylphenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-one
CCOC(=O)C[C@@H]1COc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1	ethyl 2-[(3R)-4-(3-nitrobenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetate
C=CCOc1cc2c(cc1OC)[C@@]1(CS[C@@H]3c4c(OC(C)=O)c(C)c5c(c4[C@H](COC1=O)N1[C@@H]3[C@@H]3c4c(cc(C)c(OC)c4OCC=C)C[C@@H]([C@@H]1C#N)N3C)OCO5)N(C(=O)CC(F)(F)F)CC2	[(1R,2R,3S,11S,12R,14R,26R)-12-cyano-6,7'-dimethoxy-7,21,30-trimethyl-27-oxo-5,6'-bis(prop-2-enoxy)-2'-(3,3,3-trifluoropropanoyl)spiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydroisoquinoline]-22-yl] acetate
CC(NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1	2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
COCCNC(C)c1nnnn1-c1c(F)cccc1Cl	1-[1-(2-chloro-6-fluorophenyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CCn1nccc1C(O)c1scc(C)c1Cl	(3-chloro-4-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol
COc1cccc(C2NCC2C)c1	2-(3-methoxyphenyl)-3-methylazetidine
O=C1[C@H]2C[C@@H]3C[C@H](C2)[C@@H](Br)[C@H]1C3	(1S,3S,4R,5R,7R)-4-bromoadamantan-2-one
C=CC(=O)OCCCCOC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)O[C@H]3CO[C@H]4[C@@H]3OC[C@H]4OC(=O)c3ccc(OC(=O)c4ccc(OC(=O)OCCCCOC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)Oc1ccc(-c2ccc(C(=O)OC3COc4ccc5ccccc5c4-c4c(ccc5ccccc45)OC3)cc2)cc1.C=CC(=O)Oc1ccc2cc(C(=O)O[C@H]3CO[C@H]4[C@@H]3OC[C@H]4OC(=O)c3ccc4cc(OC(=O)C=C)ccc4c3)ccc2c1	[(3S,3aR,6R,6aR)-6-[4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxybenzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxybenzoate;[(3S,3aR,6R,6aR)-6-(6-prop-2-enoyloxynaphthalene-2-carbonyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 6-prop-2-enoyloxynaphthalene-2-carboxylate;12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaen-14-yl 4-(4-prop-2-enoyloxyphenyl)benzoate
CCCOc1ccc(OCc2ccnc(NN)c2)cc1	[4-[(4-propoxyphenoxy)methyl]pyridin-2-yl]hydrazine
N#Cc1c[nH]c(=O)c(Br)c1OC(F)(F)F	5-bromo-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-carbonitrile
CC(C)(OP(=O)(O)O)C(=O)C[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(C)(F)C(F)(F)F)cc3CC[C@@H]12	[4-[(3S,3aS,9bS)-9b-(4-fluorophenyl)sulfonyl-7-(1,1,1,2-tetrafluoropropan-2-yl)-1,2,3,3a,4,5-hexahydrocyclopenta[a]naphthalen-3-yl]-2-methyl-3-oxobutan-2-yl] dihydrogen phosphate
CC(F)(F)Oc1ccccc1N	2-(1,1-difluoroethoxy)aniline
CC(C)[C@@H](C(=O)N(c1nn(CC(F)(F)F)c2c(-c3ccc(C#CC(C)(C)S(C)(=O)=O)nc3[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3CC[C@H]43)ccc(Cl)c12)S(C)(=O)=O)N(C)C	(2S)-N-[4-chloro-7-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[(2S,5R)-6,6-difluoro-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-8-yl]acetyl]amino]ethyl]-6-(3-methyl-3-methylsulfonylbut-1-ynyl)pyridin-3-yl]-1-(2,2,2-trifluoroethyl)indazol-3-yl]-2-(dimethylamino)-3-methyl-N-methylsulfonylbutanamide
COCCC(C)(O)c1cc2cccc(Cl)c2o1	2-(7-chloro-1-benzofuran-2-yl)-4-methoxybutan-2-ol
O=C(NCC1CC1)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)Cc2cccc(F)c2)C1	(7S)-N-(cyclopropylmethyl)-1'-[2-(3-fluorophenyl)acetyl]spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide
COc1ccc(CN)c(N(C)C2CCCCC2)c1	2-(aminomethyl)-N-cyclohexyl-5-methoxy-N-methylaniline
CC(C)(C)C(=O)Nc1ccc(Cl)cc1-n1c(=O)cc(C(F)(F)F)[nH]c1=O	N-[4-chloro-2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]phenyl]-2,2-dimethylpropanamide
CC(O)C(=O)O.COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2	2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;2-hydroxypropanoic acid
c1ccc2oc(SN3CCOCC3)cc2c1	4-(1-benzofuran-2-ylsulfanyl)morpholine
CCN(C(=O)c1cc(N)ccc1[N+](=O)[O-])C(C)CN(C)C	5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-nitrobenzamide
O=S(=O)(NCCN1CCCC1)c1c[nH]c2nc(Cl)ccc12	6-chloro-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CNC1CCNC(C(C)C)=C1C(C)C	N-methyl-5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridin-4-amine
CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)Cn3ccnc3)cc12	ethyl 5-[(2R)-2-hydroxy-3-imidazol-1-ylpropoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
C[C@@H]1O[C@@H](C)C[C@@H]1S	(2S,3S,5S)-2,5-dimethyloxolane-3-thiol
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O)s2)c(Cl)c1	5-[(2-chloro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CCC(Nc1ccc(Br)cc1[N+](=O)[O-])c1ccc(C)cc1	4-bromo-N-[1-(4-methylphenyl)propyl]-2-nitroaniline
CNC(Cc1cc(C)cc(C)c1)c1snnc1C(C)C	2-(3,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CCCN(CCC)CCC(=O)N1CCN(S(=O)(=O)c2ccc(I)cc2)C(C(=O)O)C1	4-[3-(dipropylamino)propanoyl]-1-(4-iodophenyl)sulfonylpiperazine-2-carboxylic acid
CCOc1ccccc1C1=Nn2c(nnc2-c2ccc(C)cc2)S[C@@H]1C	(7R)-6-(2-ethoxyphenyl)-7-methyl-3-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CCN(CC)C(=O)CN(C)C(=O)CCn1c(=O)oc2ccccc21	N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
Cc1c2c(nn1C1CCN(C3COC3)CC1F)OCCCNc1nc(ncc1Cl)N2	14-chloro-5-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccncc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F	(4aS,7R,7aR)-7-(3-fluoropyridin-2-yl)oxy-4-(pyridin-4-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine;2,2,2-trifluoroacetic acid
CN(C)[C@@H]1CC[C@H](C(=O)O)CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1	(3S,6R)-6-(dimethylamino)-1-(4-methylsulfonylphenyl)sulfonylazepane-3-carboxylic acid
CC(Oc1ccccc1C(F)(F)F)C(=O)N1CCC(N)CC1	1-(4-aminopiperidin-1-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one
CCOC(=O)CCCCCOc1cc(N)c(C(=O)N2CCCC[C@H]2CO)cc1OC.CCOC(=O)CCCCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2CO)cc1OC.CCOC(=O)CCCCCOc1cc([N+](=O)[O-])c(C(=O)O)cc1OC.CCOC(=O)CCCCCOc1cc([N+](=O)[O-])c(C=O)cc1OC.CCOC(=O)CCCCCOc1ccc(C=O)cc1OC.COc1cc(C=O)ccc1O	4-(6-ethoxy-6-oxohexoxy)-5-methoxy-2-nitrobenzoic acid;ethyl 6-[5-amino-4-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]hexanoate;ethyl 6-(4-formyl-2-methoxy-5-nitrophenoxy)hexanoate;ethyl 6-(4-formyl-2-methoxyphenoxy)hexanoate;ethyl 6-[4-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]hexanoate;4-hydroxy-3-methoxybenzaldehyde
Cc1ccc(Br)cc1C(=O)c1ccc2c(c1)COC2	(5-bromo-2-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
Cn1ccc(CCCC=O)c1	4-(1-methylpyrrol-3-yl)butanal
Cc1cc(COc2cnccc2C(=O)O)no1	3-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-4-carboxylic acid
C=CC(=O)NCc1cccnc1OC(C)C	N-[(2-propan-2-yloxypyridin-3-yl)methyl]prop-2-enamide
O=C(NCC(c1ccco1)n1cccn1)c1ccccc1Br	2-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
O=C(CSc1nccc2ccccc12)NCC1CCCC1O	N-[(2-hydroxycyclopentyl)methyl]-2-isoquinolin-1-ylsulfanylacetamide
Cc1cc(CN2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)no1	5-methyl-3-[[(4S)-4-[2-(oxan-4-ylmethoxy)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-1,2-oxazole
Cc1onc(-c2ccc(F)cc2)c1C(=O)c1c[nH]c(OC(=O)NC2CC2)c1	[4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-pyrrol-2-yl] N-cyclopropylcarbamate
COc1ccc(-n2nnnc2C(F)(F)F)cc1CNCC1(c2ccccc2)CNC(=O)N1.Cl	4-[[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]methyl]-4-phenylimidazolidin-2-one;hydrochloride
CNCc1cc(Br)c(OCCN2CCCCC2)c(OC)c1	1-[3-bromo-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylmethanamine
CCc1nc2c(OC(F)F)ccc(C(=O)Nc3c(CC)cnn3C)c2o1	4-(difluoromethoxy)-2-ethyl-N-(4-ethyl-2-methylpyrazol-3-yl)-1,3-benzoxazole-7-carboxamide
CCNC(=NCc1sc(C)nc1C)NCCN(C)Cc1ccc(F)cc1.I	2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine;hydroiodide
O=C(/C=C(/O)c1c(Cc2ccc(F)cc2)[nH]c2ccccc12)c1nn[nH]n1	(E)-3-[2-[(4-fluorophenyl)methyl]-1H-indol-3-yl]-3-hydroxy-1-(2H-tetrazol-5-yl)prop-2-en-1-one
CCCCCCCCc1nccc2c1CC[C@H]1CCN(C)[C@@H]21	(3aS,9bR)-1-methyl-6-octyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]isoquinoline
O=C1CCC(Nc2nc(Cl)nnc2Cl)C(=O)N1	3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]piperidine-2,6-dione
CCNC1CC2CCC(C1)N2CCc1ccc(F)cc1	N-ethyl-8-[2-(4-fluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CCNc1cnnn1CCNC(=O)C(C)I	N-[2-[5-(ethylamino)triazol-1-yl]ethyl]-2-iodopropanamide
CC(=O)NCC([NH3+])=O	(2-acetamidoacetyl)azanium
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CN2CCOCCOCCN(c3ccc(C(=O)NC4C(C)(C)C(Oc5ccc(C#N)c(Cl)c5)C4(C)C)cc3)CCOCCOCC2)C(C)(C)C)cc1	(2S,4R)-1-[(2S)-2-[[2-[16-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
O=C(/C=C(\O)c1cc2c(o1)C(=O)c1ccccc1C2=O)OCCO	2-hydroxyethyl (Z)-3-(4,9-dioxobenzo[f][1]benzofuran-2-yl)-3-hydroxyprop-2-enoate
Cc1cccc(C(=O)N[C@H](c2ccccc2F)c2nccn2C)c1[N+](=O)[O-]	N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-2-nitrobenzamide
C1=CC[Si]2(C1)NCCNCCN2	6,9,12-triaza-5-silaspiro[4.7]dodec-2-ene
CC(=O)O.O=C(O)c1ccn(-c2nc(-c3ccco3)cc(C(F)(F)F)n2)n1	acetic acid;1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid
O=C(CCn1c(=S)[nH]c2ccccc2c1=O)NNC(=O)c1ccccc1F	2-fluoro-N'-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]benzohydrazide
N#Cc1ccc(F)cc1CNCC1CCCCC1	2-[(cyclohexylmethylamino)methyl]-4-fluorobenzonitrile
CCCCCCCC/C=C\CCCCCCCCOCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCC	[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(Z)-octadec-9-enoxy]propan-2-yl] decanoate
NS(=O)(=O)c1ccc(CCn2c(SCCOc3ccccc3F)nc3ccccc3c2=O)cc1	4-[2-[2-[2-(2-fluorophenoxy)ethylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide
CC(C)(C)[Si](C)(C)Oc1ccc(C(c2ccc(O)cc2)c2cc3ccccc3c3ccccc23)cc1	4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-phenanthren-9-ylmethyl]phenol
CCc1nsc(Sc2ccc([N+](=O)[O-])cc2C(=O)O)n1	2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-nitrobenzoic acid
Cc1nn(C)c(C)c1CN1CCN(c2nccnc2-c2ccc(CC#N)cc2)CC1.Cl	2-[4-[3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]acetonitrile;hydrochloride
CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc3c2-n2c4c1cccc4c1cccc(c12)C3(C)C.CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-n2c3ccccc3c3cccc1c32.Cc1cc2c3c(c1)c1cc(C)cc4c1n3-c1c(cc(-c3c5ccccc5c(-c5ccccc5)c5ccccc35)cc1C4(C)C)C2(C)C.Cc1cc2c3c(c1)c1cccc4c1n3-c1c(cc(-c3c5ccccc5c(-c5ccccc5)c5ccccc35)cc1C2(C)C)C4(C)C.Cc1cc2c3c(c1)c1ccccc1n3-c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1C2(C)C.Cc1ccc2c(c1)c1cc(C)cc3c1n2-c1ccc(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)cc1C3(C)C	13,13-dimethyl-16-(10-phenylanthracen-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;5,8,8,14,14,17-hexamethyl-11-(10-phenylanthracen-9-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5,8,8,14,14-pentamethyl-11-(10-phenylanthracen-9-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-(10-phenylanthracen-9-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5,10,13,13-tetramethyl-16-(10-phenylanthracen-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;10,13,13-trimethyl-16-(10-phenylanthracen-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
O=C(NCCO)NCc1cccc(N2CC=CC2)c1	1-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-(2-hydroxyethyl)urea
COc1ccc(C(=O)N2C(C(=O)NC(c3ccccc3)c3ccccc3)CSC2c2ccccc2)cc1OC	N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CC(=O)C(=O)c1cn(C)c(C(=O)Nc2ccc(F)c(C#N)c2)c1C	N-(3-cyano-4-fluorophenyl)-1,3-dimethyl-4-(2-oxopropanoyl)pyrrole-2-carboxamide
COC(=O)CN(CC(CCN1CCC(c2ccc(OC)cc2S(C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)cc2ccccc12	methyl 2-[(3-cyanonaphthalene-1-carbonyl)-[2-(3,4-dichlorophenyl)-4-[4-(4-methoxy-2-methylsulfinylphenyl)piperidin-1-yl]butyl]amino]acetate
CCN(CC)C(C)/C=C/c1ccccc1	(E)-N,N-diethyl-4-phenylbut-3-en-2-amine
Cn1cc(CC(N)C2(C)CCCC2)cn1	1-(1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanamine
CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)C1CCC(NC)CC1	N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide

CCOC(=O)C1CCN(C(=O)Cn2nc(C)n3nc(-c4ccc(OC)cc4)cc3c2=O)CC1

ethyl 1-[2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetyl]piperidine-4-carboxylate

O=C(Nc1ccc(C2OCC(=O)N(CC3CCCCC3)C2CO)cc1)c1ccccn1

N-[4-[4-(cyclohexylmethyl)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide

Cc1ccc(CCC[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@H](O)C(=O)NO)cc1

(2S,3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,2-dihydroxy-6-(4-methylphenyl)hexanamide

CCCCCCC/C=C\C/C=C\CCCCCCCCCCCCCC(=O)OC(COCCCCCCCC/C=C\CCCCCCC)COC1OC(CO)C(O)C(O)C1O

[1-[(Z)-heptadec-9-enoxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (15Z,18Z)-hexacosa-15,18-dienoate

CCOC1=C(N=Nc2c(C)[nH]n(-c3nc(-c4ccccc4)cs3)c2=O)C=CC(C)C1

4-[(2-ethoxy-4-methylcyclohexa-1,5-dien-1-yl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one

CCCCCCCCc1ccnc(-c2ccccc2OC(=O)CCC(C)CC)c1

[2-(4-octylpyridin-2-yl)phenyl] 4-methylhexanoate

CC[C@@H](C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1

(3S)-N-[4-[(2R)-butan-2-yl]phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide

CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1.CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1

2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]propanoic acid

c1ccc(Sc2ccc(C3(c4ccc(Sc5ccccc5)cc4)c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)cc1

13,13-bis(4-phenylsulfanylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC1OC1(C)CC(C)(C)COC1CCCCO1

2-[3-[3-[(3Z,6Z,9Z,12Z,15Z)-henicosa-3,6,9,12,15-pentaenyl]-2-methyloxiran-2-yl]-2,2-dimethylpropoxy]oxane

O=C1NC(=Nc2ccccc2C(F)(F)F)/C(=C/c2ccccc2)S1

(5Z)-5-benzylidene-4-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one

CCCCc1cn2c(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nnc2c2ccccc12

6-butyl-3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[3,4-a]isoquinoline

OC1CCNCC1Cc1ccco1

3-(furan-2-ylmethyl)piperidin-4-ol

C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)C=C(C)C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](OC(=O)C=C(C)C)[C@H](O)[C@]2(CO)[C@H](O)C1

[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate

Cn1nccc1S(=O)(=O)N[C@@H](c1ccccc1)c1cccnc1

2-methyl-N-[(S)-phenyl(pyridin-3-yl)methyl]pyrazole-3-sulfonamide

C[C@H]1CCN1c1nc(N2CC(CC(=O)O)C2)c2c(n1)C(F)(F)CC2

2-[1-[7,7-difluoro-2-[(2S)-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]azetidin-3-yl]acetic acid

Cc1ncc(C(=O)C(C)C)s1

2-methyl-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one

NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2CCS(=O)(=O)c2cccc(Cl)c2F)c2ccccc21

3-[[(2S,4R)-2-[2-(3-chloro-2-fluorophenyl)sulfonylethyl]-4-fluoropyrrolidine-1-carbonyl]amino]indole-1-carboxamide

Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1OC1CCC(N2C(=O)N(C)C(C)(C)C2=O)CC1

3-[4-[5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-2-oxopyridin-4-yl]oxycyclohexyl]-1,5,5-trimethylimidazolidine-2,4-dione

COc1ccc(Cl)cc1C(=O)C1(CN)CCCCC1

[1-(aminomethyl)cyclohexyl]-(5-chloro-2-methoxyphenyl)methanone

C=CCN(CC)C(=O)c1cccnc1Nc1ccc2c(c1)C(NS(=O)(=O)c1ccc(CC)cc1)CC2

N-ethyl-2-[[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-N-prop-2-enylpyridine-3-carboxamide

CC(=O)c1ccc(N=C(N)N)cc1

2-(4-acetylphenyl)guanidine

CCOc1ccc(C=CC(=O)Nc2sc3c(c2C(N)=O)CCC(C)C3)cc1OC

2-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N#[N+]c1ccc(O)c2c1C(=O)c1ccccc1C2=O.N#[N+]c1ccc(O)c2c1C(=O)c1ccccc1C2=O.O=S(=O)([O-])[O-]

4-hydroxy-9,10-dioxoanthracene-1-diazonium;sulfate

CN(C)C=C(SC1=NC(c2ccccc2)=NC(=O)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1

6-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]sulfanyl-2-phenyl-5-(triphenyl-λ5-phosphanylidene)pyrimidin-4-one

CC(C)S(=O)(=O)N(CCC(N)=O)Cc1ccccc1

3-[benzyl(propan-2-ylsulfonyl)amino]propanamide

CCc1ccc(-c2ccc(CNC(C)C)c(=O)n2C2CC2)cc1

1-cyclopropyl-6-(4-ethylphenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-one

CCOC(=O)C[C@@H]1COc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1

ethyl 2-[(3R)-4-(3-nitrobenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetate

C=CCOc1cc2c(cc1OC)[C@@]1(CS[C@@H]3c4c(OC(C)=O)c(C)c5c(c4[C@H](COC1=O)N1[C@@H]3[C@@H]3c4c(cc(C)c(OC)c4OCC=C)C[C@@H]([C@@H]1C#N)N3C)OCO5)N(C(=O)CC(F)(F)F)CC2

[(1R,2R,3S,11S,12R,14R,26R)-12-cyano-6,7'-dimethoxy-7,21,30-trimethyl-27-oxo-5,6'-bis(prop-2-enoxy)-2'-(3,3,3-trifluoropropanoyl)spiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydroisoquinoline]-22-yl] acetate

CC(NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1

2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide

COCCNC(C)c1nnnn1-c1c(F)cccc1Cl

1-[1-(2-chloro-6-fluorophenyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine

CCn1nccc1C(O)c1scc(C)c1Cl

(3-chloro-4-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol

COc1cccc(C2NCC2C)c1

2-(3-methoxyphenyl)-3-methylazetidine

O=C1[C@H]2C[C@@H]3C[C@H](C2)[C@@H](Br)[C@H]1C3

(1S,3S,4R,5R,7R)-4-bromoadamantan-2-one

C=CC(=O)OCCCCOC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)O[C@H]3CO[C@H]4[C@@H]3OC[C@H]4OC(=O)c3ccc(OC(=O)c4ccc(OC(=O)OCCCCOC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)Oc1ccc(-c2ccc(C(=O)OC3COc4ccc5ccccc5c4-c4c(ccc5ccccc45)OC3)cc2)cc1.C=CC(=O)Oc1ccc2cc(C(=O)O[C@H]3CO[C@H]4[C@@H]3OC[C@H]4OC(=O)c3ccc4cc(OC(=O)C=C)ccc4c3)ccc2c1

[(3S,3aR,6R,6aR)-6-[4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxybenzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxybenzoate;[(3S,3aR,6R,6aR)-6-(6-prop-2-enoyloxynaphthalene-2-carbonyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 6-prop-2-enoyloxynaphthalene-2-carboxylate;12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaen-14-yl 4-(4-prop-2-enoyloxyphenyl)benzoate

CCCOc1ccc(OCc2ccnc(NN)c2)cc1

[4-[(4-propoxyphenoxy)methyl]pyridin-2-yl]hydrazine

N#Cc1c[nH]c(=O)c(Br)c1OC(F)(F)F

5-bromo-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-carbonitrile

CC(C)(OP(=O)(O)O)C(=O)C[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(C)(F)C(F)(F)F)cc3CC[C@@H]12

[4-[(3S,3aS,9bS)-9b-(4-fluorophenyl)sulfonyl-7-(1,1,1,2-tetrafluoropropan-2-yl)-1,2,3,3a,4,5-hexahydrocyclopenta[a]naphthalen-3-yl]-2-methyl-3-oxobutan-2-yl] dihydrogen phosphate

CC(F)(F)Oc1ccccc1N

2-(1,1-difluoroethoxy)aniline

CC(C)[C@@H](C(=O)N(c1nn(CC(F)(F)F)c2c(-c3ccc(C#CC(C)(C)S(C)(=O)=O)nc3[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3CC[C@H]43)ccc(Cl)c12)S(C)(=O)=O)N(C)C

(2S)-N-[4-chloro-7-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[(2S,5R)-6,6-difluoro-10-(trifluoromethyl)-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),9-dien-8-yl]acetyl]amino]ethyl]-6-(3-methyl-3-methylsulfonylbut-1-ynyl)pyridin-3-yl]-1-(2,2,2-trifluoroethyl)indazol-3-yl]-2-(dimethylamino)-3-methyl-N-methylsulfonylbutanamide

COCCC(C)(O)c1cc2cccc(Cl)c2o1

2-(7-chloro-1-benzofuran-2-yl)-4-methoxybutan-2-ol

O=C(NCC1CC1)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)Cc2cccc(F)c2)C1

(7S)-N-(cyclopropylmethyl)-1'-[2-(3-fluorophenyl)acetyl]spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide

COc1ccc(CN)c(N(C)C2CCCCC2)c1

2-(aminomethyl)-N-cyclohexyl-5-methoxy-N-methylaniline

CC(C)(C)C(=O)Nc1ccc(Cl)cc1-n1c(=O)cc(C(F)(F)F)[nH]c1=O

N-[4-chloro-2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]phenyl]-2,2-dimethylpropanamide

CC(O)C(=O)O.COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2

2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;2-hydroxypropanoic acid

c1ccc2oc(SN3CCOCC3)cc2c1

4-(1-benzofuran-2-ylsulfanyl)morpholine

CCN(C(=O)c1cc(N)ccc1[N+](=O)[O-])C(C)CN(C)C

5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-nitrobenzamide

O=S(=O)(NCCN1CCCC1)c1c[nH]c2nc(Cl)ccc12

6-chloro-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

CNC1CCNC(C(C)C)=C1C(C)C

N-methyl-5,6-di(propan-2-yl)-1,2,3,4-tetrahydropyridin-4-amine

CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)Cn3ccnc3)cc12

ethyl 5-[(2R)-2-hydroxy-3-imidazol-1-ylpropoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate

C[C@@H]1O[C@@H](C)C[C@@H]1S

(2S,3S,5S)-2,5-dimethyloxolane-3-thiol

Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O)s2)c(Cl)c1

5-[(2-chloro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid

CCC(Nc1ccc(Br)cc1[N+](=O)[O-])c1ccc(C)cc1

4-bromo-N-[1-(4-methylphenyl)propyl]-2-nitroaniline

CNC(Cc1cc(C)cc(C)c1)c1snnc1C(C)C

2-(3,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

CCCN(CCC)CCC(=O)N1CCN(S(=O)(=O)c2ccc(I)cc2)C(C(=O)O)C1

4-[3-(dipropylamino)propanoyl]-1-(4-iodophenyl)sulfonylpiperazine-2-carboxylic acid

CCOc1ccccc1C1=Nn2c(nnc2-c2ccc(C)cc2)S[C@@H]1C

(7R)-6-(2-ethoxyphenyl)-7-methyl-3-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

CCN(CC)C(=O)CN(C)C(=O)CCn1c(=O)oc2ccccc21

N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

Cc1c2c(nn1C1CCN(C3COC3)CC1F)OCCCNc1nc(ncc1Cl)N2

14-chloro-5-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene

Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccncc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

(4aS,7R,7aR)-7-(3-fluoropyridin-2-yl)oxy-4-(pyridin-4-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine;2,2,2-trifluoroacetic acid

CN(C)[C@@H]1CC[C@H](C(=O)O)CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)C1

(3S,6R)-6-(dimethylamino)-1-(4-methylsulfonylphenyl)sulfonylazepane-3-carboxylic acid

CC(Oc1ccccc1C(F)(F)F)C(=O)N1CCC(N)CC1

1-(4-aminopiperidin-1-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one

CCOC(=O)CCCCCOc1cc(N)c(C(=O)N2CCCC[C@H]2CO)cc1OC.CCOC(=O)CCCCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2CO)cc1OC.CCOC(=O)CCCCCOc1cc([N+](=O)[O-])c(C(=O)O)cc1OC.CCOC(=O)CCCCCOc1cc([N+](=O)[O-])c(C=O)cc1OC.CCOC(=O)CCCCCOc1ccc(C=O)cc1OC.COc1cc(C=O)ccc1O

4-(6-ethoxy-6-oxohexoxy)-5-methoxy-2-nitrobenzoic acid;ethyl 6-[5-amino-4-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]hexanoate;ethyl 6-(4-formyl-2-methoxy-5-nitrophenoxy)hexanoate;ethyl 6-(4-formyl-2-methoxyphenoxy)hexanoate;ethyl 6-[4-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]hexanoate;4-hydroxy-3-methoxybenzaldehyde

Cc1ccc(Br)cc1C(=O)c1ccc2c(c1)COC2

(5-bromo-2-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone

Cn1ccc(CCCC=O)c1

4-(1-methylpyrrol-3-yl)butanal

Cc1cc(COc2cnccc2C(=O)O)no1

3-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-4-carboxylic acid

C=CC(=O)NCc1cccnc1OC(C)C

N-[(2-propan-2-yloxypyridin-3-yl)methyl]prop-2-enamide

O=C(NCC(c1ccco1)n1cccn1)c1ccccc1Br

2-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide

O=C(CSc1nccc2ccccc12)NCC1CCCC1O

N-[(2-hydroxycyclopentyl)methyl]-2-isoquinolin-1-ylsulfanylacetamide

Cc1cc(CN2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)no1

5-methyl-3-[[(4S)-4-[2-(oxan-4-ylmethoxy)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-1,2-oxazole

Cc1onc(-c2ccc(F)cc2)c1C(=O)c1c[nH]c(OC(=O)NC2CC2)c1

[4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-pyrrol-2-yl] N-cyclopropylcarbamate

COc1ccc(-n2nnnc2C(F)(F)F)cc1CNCC1(c2ccccc2)CNC(=O)N1.Cl

4-[[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]methyl]-4-phenylimidazolidin-2-one;hydrochloride

CNCc1cc(Br)c(OCCN2CCCCC2)c(OC)c1

1-[3-bromo-5-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylmethanamine

CCc1nc2c(OC(F)F)ccc(C(=O)Nc3c(CC)cnn3C)c2o1

4-(difluoromethoxy)-2-ethyl-N-(4-ethyl-2-methylpyrazol-3-yl)-1,3-benzoxazole-7-carboxamide

CCNC(=NCc1sc(C)nc1C)NCCN(C)Cc1ccc(F)cc1.I

2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine;hydroiodide

O=C(/C=C(/O)c1c(Cc2ccc(F)cc2)[nH]c2ccccc12)c1nn[nH]n1

(E)-3-[2-[(4-fluorophenyl)methyl]-1H-indol-3-yl]-3-hydroxy-1-(2H-tetrazol-5-yl)prop-2-en-1-one

CCCCCCCCc1nccc2c1CC[C@H]1CCN(C)[C@@H]21

(3aS,9bR)-1-methyl-6-octyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]isoquinoline

O=C1CCC(Nc2nc(Cl)nnc2Cl)C(=O)N1

3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]piperidine-2,6-dione

CCNC1CC2CCC(C1)N2CCc1ccc(F)cc1

N-ethyl-8-[2-(4-fluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

CCNc1cnnn1CCNC(=O)C(C)I

N-[2-[5-(ethylamino)triazol-1-yl]ethyl]-2-iodopropanamide

CC(=O)NCC([NH3+])=O

(2-acetamidoacetyl)azanium

Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CN2CCOCCOCCN(c3ccc(C(=O)NC4C(C)(C)C(Oc5ccc(C#N)c(Cl)c5)C4(C)C)cc3)CCOCCOCC2)C(C)(C)C)cc1

(2S,4R)-1-[(2S)-2-[[2-[16-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

O=C(/C=C(\O)c1cc2c(o1)C(=O)c1ccccc1C2=O)OCCO

2-hydroxyethyl (Z)-3-(4,9-dioxobenzo[f][1]benzofuran-2-yl)-3-hydroxyprop-2-enoate

Cc1cccc(C(=O)N[C@H](c2ccccc2F)c2nccn2C)c1[N+](=O)[O-]

N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-2-nitrobenzamide

C1=CC[Si]2(C1)NCCNCCN2

6,9,12-triaza-5-silaspiro[4.7]dodec-2-ene

CC(=O)O.O=C(O)c1ccn(-c2nc(-c3ccco3)cc(C(F)(F)F)n2)n1

acetic acid;1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid

O=C(CCn1c(=S)[nH]c2ccccc2c1=O)NNC(=O)c1ccccc1F

2-fluoro-N'-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]benzohydrazide

N#Cc1ccc(F)cc1CNCC1CCCCC1

2-[(cyclohexylmethylamino)methyl]-4-fluorobenzonitrile

CCCCCCCC/C=C\CCCCCCCCOCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(=O)CCCCCCCCC

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(Z)-octadec-9-enoxy]propan-2-yl] decanoate

NS(=O)(=O)c1ccc(CCn2c(SCCOc3ccccc3F)nc3ccccc3c2=O)cc1

4-[2-[2-[2-(2-fluorophenoxy)ethylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide

CC(C)(C)[Si](C)(C)Oc1ccc(C(c2ccc(O)cc2)c2cc3ccccc3c3ccccc23)cc1

4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-phenanthren-9-ylmethyl]phenol

CCc1nsc(Sc2ccc([N+](=O)[O-])cc2C(=O)O)n1

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-nitrobenzoic acid

Cc1nn(C)c(C)c1CN1CCN(c2nccnc2-c2ccc(CC#N)cc2)CC1.Cl

2-[4-[3-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]acetonitrile;hydrochloride

CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc3c2-n2c4c1cccc4c1cccc(c12)C3(C)C.CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-n2c3ccccc3c3cccc1c32.Cc1cc2c3c(c1)c1cc(C)cc4c1n3-c1c(cc(-c3c5ccccc5c(-c5ccccc5)c5ccccc35)cc1C4(C)C)C2(C)C.Cc1cc2c3c(c1)c1cccc4c1n3-c1c(cc(-c3c5ccccc5c(-c5ccccc5)c5ccccc35)cc1C2(C)C)C4(C)C.Cc1cc2c3c(c1)c1ccccc1n3-c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1C2(C)C.Cc1ccc2c(c1)c1cc(C)cc3c1n2-c1ccc(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)cc1C3(C)C

13,13-dimethyl-16-(10-phenylanthracen-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;5,8,8,14,14,17-hexamethyl-11-(10-phenylanthracen-9-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5,8,8,14,14-pentamethyl-11-(10-phenylanthracen-9-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-11-(10-phenylanthracen-9-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5,10,13,13-tetramethyl-16-(10-phenylanthracen-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;10,13,13-trimethyl-16-(10-phenylanthracen-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene

O=C(NCCO)NCc1cccc(N2CC=CC2)c1

1-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-(2-hydroxyethyl)urea

COc1ccc(C(=O)N2C(C(=O)NC(c3ccccc3)c3ccccc3)CSC2c2ccccc2)cc1OC

N-benzhydryl-3-(3,4-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide

CC(=O)C(=O)c1cn(C)c(C(=O)Nc2ccc(F)c(C#N)c2)c1C

N-(3-cyano-4-fluorophenyl)-1,3-dimethyl-4-(2-oxopropanoyl)pyrrole-2-carboxamide

COC(=O)CN(CC(CCN1CCC(c2ccc(OC)cc2S(C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)cc2ccccc12

methyl 2-[(3-cyanonaphthalene-1-carbonyl)-[2-(3,4-dichlorophenyl)-4-[4-(4-methoxy-2-methylsulfinylphenyl)piperidin-1-yl]butyl]amino]acetate

CCN(CC)C(C)/C=C/c1ccccc1

(E)-N,N-diethyl-4-phenylbut-3-en-2-amine

Cn1cc(CC(N)C2(C)CCCC2)cn1

1-(1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanamine

CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)C1CCC(NC)CC1

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide