AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-23

SMILES stringlengths 2 1.03k	IUPAC stringlengths 6 1.69k
c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3ccc4ccc5ccccc5c4c3c2)cc1	N-(4-carbazol-9-ylphenyl)-N-phenylbenzo[c]phenanthren-2-amine
CCc1ccc(O)c(C(=O)C2c3ccccc3C(=O)N2c2ccc(C)cc2)c1	3-(5-ethyl-2-hydroxybenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one
Cc1cccc(Cl)c1OCc1cccc(C(=O)NC2CCC(C)CC2)n1	6-[(2-chloro-6-methylphenoxy)methyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide
COS(=O)(=O)[O-].Cc1ccc(S(=O)(=O)[O-])cc1	4-methylbenzenesulfonate;methyl sulfate
CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NCc2cnc3ncccn23)C1	tert-butyl N-[(1S,3S)-3-(imidazo[1,2-a]pyrimidin-3-ylmethylamino)cyclohexyl]carbamate
O=C(Cc1cccc2ccccc12)OCc1cccs1	thiophen-2-ylmethyl 2-naphthalen-1-ylacetate
Cc1cc(=O)[nH]c(SCC(=O)N[C@H]2CCc3ccccc3C2)n1	2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
O=CC(CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1)CCCc1cccnc1	N-(5-formyl-8-pyridin-3-yloctyl)-4-(trifluoromethyl)benzenesulfonamide
COc1ccc(CN(CC(=O)NO)Cc2ccc(F)c(O)c2F)cc1.COc1ccc(CN(CCC(=O)CO)Cc2cccc(C(=O)O)c2)cc1.O=C(CCN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2)NO.O=C(CN(Cc1ccc(Cl)c(O)c1F)Cc1ccc(Cl)c(O)c1F)NO	3-[bis(1,3-benzodioxol-5-ylmethyl)amino]-N-hydroxypropanamide;2-[bis[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]amino]-N-hydroxyacetamide;2-[(2,4-difluoro-3-hydroxyphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide;3-[[(4-hydroxy-3-oxobutyl)-[(4-methoxyphenyl)methyl]amino]methyl]benzoic acid
CCC(C)(C#N)C(=O)NC1CC(O)C1	2-cyano-N-(3-hydroxycyclobutyl)-2-methylbutanamide
CCOC1CC(NC(CC)C(N)=NO)C1	2-[(3-ethoxycyclobutyl)amino]-N'-hydroxybutanimidamide
O=C=NCc1cc(Cl)c(O)cc1C(F)(F)F	2-chloro-4-(isocyanatomethyl)-5-(trifluoromethyl)phenol
CCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)OCC[N+](C)(C)C)C(O)CCCCCCCCCCCCCCCCCCCCCCCC	2-[hydroxy-[3-hydroxy-2-[[(Z)-tetratetracont-33-enoyl]amino]heptacosoxy]phosphoryl]oxyethyl-trimethylazanium
CN1C(=O)N(Cc2ccccc2)C(=O)C2C1=[N+]=C(N/N=C/c1cc(Br)ccc1O)N2Cc1ccccc1	1,7-dibenzyl-8-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-5H-purin-9-ium-2,6-dione
COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccsc2)cc1	[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
C[Si](C)(C)C(=Cc1cn(Cc2ccc(Br)cc2)nn1)[Si](C)(C)C	[2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-1-trimethylsilylethenyl]-trimethylsilane
CC(C)CC(=O)n1cc(-c2ccc(C[C@@H](C#N)CC(=O)[C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)c(F)c2)cn1	tert-butyl (1R,3S,4S)-3-[(3R)-3-cyano-4-[2-fluoro-4-[1-(3-methylbutanoyl)pyrazol-4-yl]phenyl]butanoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylate
CCCCC(=O)Nc1cccc(SCC(=O)OCC)c1	ethyl 2-[3-(pentanoylamino)phenyl]sulfanylacetate
C/C(CC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1ccco1	N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide
CC1=NC(C)=C(C(=O)OCCN(C)CCC(c2ccccc2)c2ccccc2)C(c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)C1C(=O)OC(C)C	5-O-[2-[3,3-diphenylpropyl(methyl)amino]ethyl] 3-O-propan-2-yl 2,6-dimethyl-4-(3-methyl-4-oxo-2-phenylchromen-8-yl)-3,4-dihydropyridine-3,5-dicarboxylate
C=C1[C@@H](O)[C@H](O)CC[C@@H](CC)S(=C)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@@H]12)C[C@@]1(CCCc2cc(Cl)ccc21)CO3	(3'R,4S,6'R,8'R,9'R,12'R)-7-chloro-12'-ethyl-8',9'-dihydroxy-7',13'-dimethylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one
CCCNC(Cc1ccc(F)c(Br)c1)C1(C)CCCCO1	N-[2-(3-bromo-4-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CCC(=O)c1ccc(SC(F)(F)F)cc1N	1-[2-amino-4-(trifluoromethylsulfanyl)phenyl]propan-1-one
CC(C)(C)Cc1cc(Cl)ccc1CCn1cccc1	1-[2-[4-chloro-2-(2,2-dimethylpropyl)phenyl]ethyl]pyrrole
C=C(Br)CNC(=O)Nc1cccc(CCC(=O)O)c1	3-[3-(2-bromoprop-2-enylcarbamoylamino)phenyl]propanoic acid
Cc1ncsc1C(=O)NCC#Cc1nccc(N2CCN(c3cc(-c4ccccc4O)nnc3N)CC2)n1	N-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-methyl-1,3-thiazole-5-carboxamide
CCOC(=O)c1ccc(N2CCCN(c3ncc(Br)cc3C)CC2)nc1	ethyl 6-[4-(5-bromo-3-methylpyridin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CCC(C)C(C)COC(C)(CC)C(C)N	3-(2,3-dimethylpentoxy)-3-methylpentan-2-amine
CC(NCc1csc(Br)c1)c1ccc(S(N)(=O)=O)cc1	4-[1-[(5-bromothiophen-3-yl)methylamino]ethyl]benzenesulfonamide
CN(C)c1ccccc1N=Nc1ccc(S(=O)(=O)Cl)cc1	4-[[2-(dimethylamino)phenyl]diazenyl]benzenesulfonyl chloride
COc1ccc(N2CC[C@H](C)N(Cc3cccc4c3c(Cl)c(Cl)n4CC(=O)N(C)C)C2=O)cc1OCc1ccccc1	2-[2,3-dichloro-4-[[(6S)-3-(4-methoxy-3-phenylmethoxyphenyl)-6-methyl-2-oxo-1,3-diazinan-1-yl]methyl]indol-1-yl]-N,N-dimethylacetamide
C[C@@H](NC(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1ccc(F)cc1	1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]urea
CC(C)n1cc(Oc2cc(Br)ccc2C(N)=S)cn1	4-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarbothioamide
C=CC(=O)Cc1ccc(N(c2ccc(CC)cc2)c2ccc(OCCOc3ccc(N(c4ccc(CC)cc4)c4ccc(COC(=O)C=C)cc4)cc3)cc2)cc1	[4-(4-ethyl-N-[4-[2-[4-(4-ethyl-N-[4-(2-oxobut-3-enyl)phenyl]anilino)phenoxy]ethoxy]phenyl]anilino)phenyl]methyl prop-2-enoate
CCCC(=O)Cc1ccccc1CCC(C)=O	1-[2-(3-oxobutyl)phenyl]pentan-2-one
O=NCC1OCC(n2cc(F)c(NC(=O)c3ccc(F)cc3)nc2=O)O1	4-fluoro-N-[5-fluoro-1-[2-(nitrosomethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]benzamide
COc1ccc(C2(C(F)(F)F)COC2)c(Cl)c1	3-(2-chloro-4-methoxyphenyl)-3-(trifluoromethyl)oxetane
COC(=O)c1ccc(N)c(OCC(C)(C)N(C)C)n1	methyl 5-amino-6-[2-(dimethylamino)-2-methylpropoxy]pyridine-2-carboxylate
C#Cc1cc(C[C@@H](OC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N2CCC(N3CCCC3)CC2)cc(Cl)c1N.CNc1c(Cl)cc(C[C@@H](OC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N2CCC(C3CCNCC3)CC2)cc1C(F)(F)F.CNc1c(Cl)cc(C[C@@H](OC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N2CCC(N3CCCCC3)CC2)cc1C(F)(F)F.Cc1cc(C[C@@H](OC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N2CCN(c3ccncc3)CC2)cc(Cl)c1N	[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-methylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-oxo-1-(4-piperidin-4-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate
C#Cc1ccc(C(=O)NC(CCSC)C(=O)OC)c(-c2ccccc2)c1	methyl 2-[(4-ethynyl-2-phenylbenzoyl)amino]-4-methylsulfanylbutanoate
Cc1nc(CC2(CNC3CC3)CCCCC2)cs1	N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexyl]methyl]cyclopropanamine
O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1	N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
O=C1NCCN1CC1C2CNCC21	1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)imidazolidin-2-one
O=C(Nc1ccccc1Br)c1cnc(-c2ccc(F)cc2)nc1	N-(2-bromophenyl)-2-(4-fluorophenyl)pyrimidine-5-carboxamide
CCCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)N[C@@H](C)CC)CC3)cc2)cc1	N-[(2S)-butan-2-yl]-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
C[C@@H]1CN(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)C(=O)[C@H]1OC[C@H](C)Nc1cn[nH]c(=O)c1C(F)(F)F	4-[[(2S)-1-[(3S,4R)-4-methyl-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]oxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
O=c1[nH]nnn1-c1cc([N+](=O)[O-])ccc1Br	4-(2-bromo-5-nitrophenyl)-1H-tetrazol-5-one
CCS(=O)(=O)CCNc1cc(F)ccc1Cl	2-chloro-N-(2-ethylsulfonylethyl)-5-fluoroaniline
NCCCCCNC(=O)c1[nH]cnc1C(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1	benzyl 2-[[5-(5-aminopentylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenylpropanoate
O=C1C(=Cc2ccc(-c3ccc(Cl)cc3)o2)N2CCC1CC2	2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-one
CCOC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)CC	(2S)-1-[(2S)-1-[(2S,3S)-2-(ethoxycarbonylamino)-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CC(=O)Nc1ccc(C(N)=O)c(NC(C)=O)c1	2,4-diacetamidobenzamide
CC1CCC(NC(=O)CC(CC(=O)NC2CCC(C)CC2)C(=O)NC2CCC(C)CC2)CC1.CCCCCCC(O)CCCCCCCCCCC(=O)[O-].[K+]	potassium;12-hydroxyoctadecanoate;1-N,2-N,3-N-tris(4-methylcyclohexyl)propane-1,2,3-tricarboxamide
Cc1nc(CN2CCC3(CC(=O)NC3=O)C2)co1	7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CCNc1ccccc1C(=O)Nc1cc(Cl)c(C)cc1Br	N-(2-bromo-5-chloro-4-methylphenyl)-2-(ethylamino)benzamide
CCN(CC)c1nc(C(N)=O)cc(-c2cc(Cl)ccc2Cl)n1	6-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide
c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4c(-c5ccccc5)cccc43)c2)cc1	3-carbazol-9-yl-9-(3,5-diphenylphenyl)-5-phenylcarbazole
N=C1C(c2nc3ccccc3s2)=C(O)CN1c1cc(F)cc(F)c1	4-(1,3-benzothiazol-2-yl)-1-(3,5-difluorophenyl)-5-imino-2H-pyrrol-3-ol
C#CCNCC(=O)NCCN(C)C(C)CC	N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide
CNC1CCCCCCCCCCC1N1CC2CCC1C2	2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylcyclododecan-1-amine
CCN1CCC(C)N(C)C(=O)C1CCO	4-ethyl-3-(2-hydroxyethyl)-1,7-dimethyl-1,4-diazepan-2-one
COc1c(C)cc(CC(=O)O)cc1C1CCCCC1	2-(3-cyclohexyl-4-methoxy-5-methylphenyl)acetic acid
COC(=O)c1cccc(Nc2nc(Cl)nc3c2[nH]c2cc(OC)ccc23)c1	methyl 3-[(2-chloro-7-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]benzoate
Cc1ccc(C(F)(F)F)cc1-c1cn2cncc(Nc3ccc(-c4ocnc4C)nc3)c2n1	N-[6-(4-methyl-1,3-oxazol-5-yl)pyridin-3-yl]-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-8-amine
Cc1nc(CC(C)C)oc1C(=O)N1CCCC1C1CCCCC1(C)O	[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]-[4-methyl-2-(2-methylpropyl)-1,3-oxazol-5-yl]methanone
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCc3ccc(OC)cc3)=C(C[N+]34CCC(C)(CC3)CC4)CS[C@@H]12)c1nsc(N)n1.[I-]	(4-methoxyphenyl)methyl (6S,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(4-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;iodide
Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(Cl)cc2)C(Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1	2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
Cc1cccc(Cl)c1S(=O)(=O)n1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21	7-(2-chloro-6-methylphenyl)sulfonyl-N-(4-piperazin-1-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
Cc1ccc(C)c(NC(=O)[C@H]2CCCN(c3ncnc4onc(C)c34)C2)c1	(3S)-N-(2,5-dimethylphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CC1(C)NCC[C@H]1Oc1nc(OC[C@@]23CCCN2C[C@H](F)C3)nc2c(F)c(-c3ccc(F)c4sc(N)nc34)c(C(F)(F)F)cc12	4-[4-[(3R)-2,2-dimethylpyrrolidin-3-yl]oxy-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine
COc1ccc(C(Cl)c2scc(C)c2Cl)c(OC)c1OC	3-chloro-2-[chloro-(2,3,4-trimethoxyphenyl)methyl]-4-methylthiophene
O=C(/C=C/c1cc2c(cc1Br)OCO2)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O	3-[(E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoyl]-4-(4-chlorophenyl)-1H-quinolin-2-one
C=Nc1ncnc2c1c(-c1cccc(O)c1)nn2Cc1cc2cccc(C)c2c(=O)n1-c1ccccc1	3-[[3-(3-hydroxyphenyl)-4-(methylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-phenylisoquinolin-1-one
CCCN1CCc2c(c(-c3cccc(OCC)c3)nc3ccc4ccccc4c23)C1	5-(3-ethoxyphenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
COc1c(Cl)cc(Cl)cc1-c1nc(C)[nH]c1Br	5-bromo-4-(3,5-dichloro-2-methoxyphenyl)-2-methyl-1H-imidazole
O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1Cl	N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide
C=C(C)C.CC.CCC.CCCCc1ccccc1.CCc1cc(C#N)ccc1F	butylbenzene;ethane;3-ethyl-4-fluorobenzonitrile;2-methylprop-1-ene;propane
Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc(Br)c4)ccc32)c1	N-(3-bromophenyl)-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
COc1cccc(OC)c1/C=N\NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1	2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-(2,6-dimethoxyphenyl)methylideneamino]acetamide
CCNC(=NCC1Cc2ccccc2O1)NC(C)C(C)C.I	2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
O=C(O)N(Cc1ccc2cccnc2c1)CC1CCCO1	oxolan-2-ylmethyl(quinolin-7-ylmethyl)carbamic acid
CCc1nn(Cc2ccsc2C(=O)O)c(CC)c1[N+](=O)[O-]	3-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]thiophene-2-carboxylic acid
COc1ccc(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c([N+](=O)[O-])c1	2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CCNC(Cc1nnn(C)n1)C1Cc2ccccc2O1	1-(2,3-dihydro-1-benzofuran-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
COC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2cc(F)ccc2F)cn1	methyl 1-[5-[(2,5-difluorophenyl)methylamino]pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylate
CNCC1CCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1	1-[1-(4-bromo-3-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CCc1cc(CN)cc(N(CC)C(C)C)n1	4-(aminomethyl)-N,6-diethyl-N-propan-2-ylpyridin-2-amine
NC(=S)c1ccc(C(F)(F)F)nc1Nc1ccc(Cl)cc1	2-(4-chloroanilino)-6-(trifluoromethyl)pyridine-3-carbothioamide
O=C(c1ccoc1)N1CCC(N2C(=O)COC2=O)C1	3-[1-(furan-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)CC(=O)Nc4ccc(CCCCCCCCCCCCCCCCCCC(=O)[O-])cc4)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CC[C@@H]1C[C@@H]2O	19-[4-[[3-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-15-tetracyclo[11.3.1.03,10.04,7]heptadec-13-enyl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-3-oxopropanoyl]amino]phenyl]nonadecanoate
CO[C@H]1CC[C@H](OS(C)(=O)=O)[C@@H](CN=[N+]=[N-])O1	[(2R,3S,6R)-2-(azidomethyl)-6-methoxyoxan-3-yl] methanesulfonate
O=C1CS/C(=C(\C(Cl)=C(Cl)Cl)[N+](=O)[O-])N1c1ccc(F)cc1	(2E)-3-(4-fluorophenyl)-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-thiazolidin-4-one
C=CCn1c(SCc2c(F)cccc2Cl)nnc1C1CC1c1ccccc1	3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(2-phenylcyclopropyl)-4-prop-2-enyl-1,2,4-triazole
COC(=O)c1ccc(NC(=O)CCc2cccc(OC3CCCC3)c2)c(C)c1	methyl 4-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylbenzoate
CCCCCCCCCCCCCCCCCCO[C@@H]1O[C@H](C(=O)O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	(2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-2-carboxy-4,5-dihydroxy-6-octadecoxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
O=C(O)/C=C/c1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1	(E)-3-[4-[(1-adamantylamino)methyl]phenyl]prop-2-enoic acid
O=C(O)CCN(Cc1ccc(F)cc1)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1ccccc1F	3-[(4-fluorophenyl)methyl-[2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoyl]amino]propanoic acid
O=C(O)[C@@H]1CCCN(C(=O)c2ccc(N3CCCCCC3)nc2)C1	(3R)-1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
COC(=O)/C=C(/C)CCl	methyl (Z)-4-chloro-3-methylbut-2-enoate
Cc1cc(Nc2ccc(Cl)cc2C)nc(NCC(C)C)n1	4-N-(4-chloro-2-methylphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine

c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3ccc4ccc5ccccc5c4c3c2)cc1

N-(4-carbazol-9-ylphenyl)-N-phenylbenzo[c]phenanthren-2-amine

CCc1ccc(O)c(C(=O)C2c3ccccc3C(=O)N2c2ccc(C)cc2)c1

3-(5-ethyl-2-hydroxybenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one

Cc1cccc(Cl)c1OCc1cccc(C(=O)NC2CCC(C)CC2)n1

6-[(2-chloro-6-methylphenoxy)methyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide

COS(=O)(=O)[O-].Cc1ccc(S(=O)(=O)[O-])cc1

4-methylbenzenesulfonate;methyl sulfate

CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NCc2cnc3ncccn23)C1

tert-butyl N-[(1S,3S)-3-(imidazo[1,2-a]pyrimidin-3-ylmethylamino)cyclohexyl]carbamate

O=C(Cc1cccc2ccccc12)OCc1cccs1

thiophen-2-ylmethyl 2-naphthalen-1-ylacetate

Cc1cc(=O)[nH]c(SCC(=O)N[C@H]2CCc3ccccc3C2)n1

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide

O=CC(CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1)CCCc1cccnc1

N-(5-formyl-8-pyridin-3-yloctyl)-4-(trifluoromethyl)benzenesulfonamide

COc1ccc(CN(CC(=O)NO)Cc2ccc(F)c(O)c2F)cc1.COc1ccc(CN(CCC(=O)CO)Cc2cccc(C(=O)O)c2)cc1.O=C(CCN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2)NO.O=C(CN(Cc1ccc(Cl)c(O)c1F)Cc1ccc(Cl)c(O)c1F)NO

3-[bis(1,3-benzodioxol-5-ylmethyl)amino]-N-hydroxypropanamide;2-[bis[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]amino]-N-hydroxyacetamide;2-[(2,4-difluoro-3-hydroxyphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide;3-[[(4-hydroxy-3-oxobutyl)-[(4-methoxyphenyl)methyl]amino]methyl]benzoic acid

CCC(C)(C#N)C(=O)NC1CC(O)C1

2-cyano-N-(3-hydroxycyclobutyl)-2-methylbutanamide

CCOC1CC(NC(CC)C(N)=NO)C1

2-[(3-ethoxycyclobutyl)amino]-N'-hydroxybutanimidamide

O=C=NCc1cc(Cl)c(O)cc1C(F)(F)F

2-chloro-4-(isocyanatomethyl)-5-(trifluoromethyl)phenol

CCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)OCC[N+](C)(C)C)C(O)CCCCCCCCCCCCCCCCCCCCCCCC

2-[hydroxy-[3-hydroxy-2-[[(Z)-tetratetracont-33-enoyl]amino]heptacosoxy]phosphoryl]oxyethyl-trimethylazanium

CN1C(=O)N(Cc2ccccc2)C(=O)C2C1=[N+]=C(N/N=C/c1cc(Br)ccc1O)N2Cc1ccccc1

1,7-dibenzyl-8-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-5H-purin-9-ium-2,6-dione

COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccsc2)cc1

[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

C[Si](C)(C)C(=Cc1cn(Cc2ccc(Br)cc2)nn1)[Si](C)(C)C

[2-[1-[(4-bromophenyl)methyl]triazol-4-yl]-1-trimethylsilylethenyl]-trimethylsilane

CC(C)CC(=O)n1cc(-c2ccc(C[C@@H](C#N)CC(=O)[C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)c(F)c2)cn1

tert-butyl (1R,3S,4S)-3-[(3R)-3-cyano-4-[2-fluoro-4-[1-(3-methylbutanoyl)pyrazol-4-yl]phenyl]butanoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylate

CCCCC(=O)Nc1cccc(SCC(=O)OCC)c1

ethyl 2-[3-(pentanoylamino)phenyl]sulfanylacetate

C/C(CC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1ccco1

N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide

CC1=NC(C)=C(C(=O)OCCN(C)CCC(c2ccccc2)c2ccccc2)C(c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)C1C(=O)OC(C)C

5-O-[2-[3,3-diphenylpropyl(methyl)amino]ethyl] 3-O-propan-2-yl 2,6-dimethyl-4-(3-methyl-4-oxo-2-phenylchromen-8-yl)-3,4-dihydropyridine-3,5-dicarboxylate

C=C1[C@@H](O)[C@H](O)CC[C@@H](CC)S(=C)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@@H]12)C[C@@]1(CCCc2cc(Cl)ccc21)CO3

(3'R,4S,6'R,8'R,9'R,12'R)-7-chloro-12'-ethyl-8',9'-dihydroxy-7',13'-dimethylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one

CCCNC(Cc1ccc(F)c(Br)c1)C1(C)CCCCO1

N-[2-(3-bromo-4-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine

CCC(=O)c1ccc(SC(F)(F)F)cc1N

1-[2-amino-4-(trifluoromethylsulfanyl)phenyl]propan-1-one

CC(C)(C)Cc1cc(Cl)ccc1CCn1cccc1

1-[2-[4-chloro-2-(2,2-dimethylpropyl)phenyl]ethyl]pyrrole

C=C(Br)CNC(=O)Nc1cccc(CCC(=O)O)c1

3-[3-(2-bromoprop-2-enylcarbamoylamino)phenyl]propanoic acid

Cc1ncsc1C(=O)NCC#Cc1nccc(N2CCN(c3cc(-c4ccccc4O)nnc3N)CC2)n1

N-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-methyl-1,3-thiazole-5-carboxamide

CCOC(=O)c1ccc(N2CCCN(c3ncc(Br)cc3C)CC2)nc1

ethyl 6-[4-(5-bromo-3-methylpyridin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylate

CCC(C)C(C)COC(C)(CC)C(C)N

3-(2,3-dimethylpentoxy)-3-methylpentan-2-amine

CC(NCc1csc(Br)c1)c1ccc(S(N)(=O)=O)cc1

4-[1-[(5-bromothiophen-3-yl)methylamino]ethyl]benzenesulfonamide

CN(C)c1ccccc1N=Nc1ccc(S(=O)(=O)Cl)cc1

4-[[2-(dimethylamino)phenyl]diazenyl]benzenesulfonyl chloride

COc1ccc(N2CC[C@H](C)N(Cc3cccc4c3c(Cl)c(Cl)n4CC(=O)N(C)C)C2=O)cc1OCc1ccccc1

2-[2,3-dichloro-4-[[(6S)-3-(4-methoxy-3-phenylmethoxyphenyl)-6-methyl-2-oxo-1,3-diazinan-1-yl]methyl]indol-1-yl]-N,N-dimethylacetamide

C[C@@H](NC(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1ccc(F)cc1

1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]urea

CC(C)n1cc(Oc2cc(Br)ccc2C(N)=S)cn1

4-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarbothioamide

C=CC(=O)Cc1ccc(N(c2ccc(CC)cc2)c2ccc(OCCOc3ccc(N(c4ccc(CC)cc4)c4ccc(COC(=O)C=C)cc4)cc3)cc2)cc1

[4-(4-ethyl-N-[4-[2-[4-(4-ethyl-N-[4-(2-oxobut-3-enyl)phenyl]anilino)phenoxy]ethoxy]phenyl]anilino)phenyl]methyl prop-2-enoate

CCCC(=O)Cc1ccccc1CCC(C)=O

1-[2-(3-oxobutyl)phenyl]pentan-2-one

O=NCC1OCC(n2cc(F)c(NC(=O)c3ccc(F)cc3)nc2=O)O1

4-fluoro-N-[5-fluoro-1-[2-(nitrosomethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]benzamide

COc1ccc(C2(C(F)(F)F)COC2)c(Cl)c1

3-(2-chloro-4-methoxyphenyl)-3-(trifluoromethyl)oxetane

COC(=O)c1ccc(N)c(OCC(C)(C)N(C)C)n1

methyl 5-amino-6-[2-(dimethylamino)-2-methylpropoxy]pyridine-2-carboxylate

C#Cc1cc(C[C@@H](OC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N2CCC(N3CCCC3)CC2)cc(Cl)c1N.CNc1c(Cl)cc(C[C@@H](OC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N2CCC(C3CCNCC3)CC2)cc1C(F)(F)F.CNc1c(Cl)cc(C[C@@H](OC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N2CCC(N3CCCCC3)CC2)cc1C(F)(F)F.Cc1cc(C[C@@H](OC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N2CCN(c3ccncc3)CC2)cc(Cl)c1N

[(2R)-3-(4-amino-3-chloro-5-ethynylphenyl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-3-(4-amino-3-chloro-5-methylphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate;[(2R)-3-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-1-oxo-1-(4-piperidin-4-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate

C#Cc1ccc(C(=O)NC(CCSC)C(=O)OC)c(-c2ccccc2)c1

methyl 2-[(4-ethynyl-2-phenylbenzoyl)amino]-4-methylsulfanylbutanoate

Cc1nc(CC2(CNC3CC3)CCCCC2)cs1

N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexyl]methyl]cyclopropanamine

O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide

O=C1NCCN1CC1C2CNCC21

1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)imidazolidin-2-one

O=C(Nc1ccccc1Br)c1cnc(-c2ccc(F)cc2)nc1

N-(2-bromophenyl)-2-(4-fluorophenyl)pyrimidine-5-carboxamide

CCCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)N[C@@H](C)CC)CC3)cc2)cc1

N-[(2S)-butan-2-yl]-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide

C[C@@H]1CN(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)C(=O)[C@H]1OC[C@H](C)Nc1cn[nH]c(=O)c1C(F)(F)F

4-[[(2S)-1-[(3S,4R)-4-methyl-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]oxypropan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one

O=c1[nH]nnn1-c1cc([N+](=O)[O-])ccc1Br

4-(2-bromo-5-nitrophenyl)-1H-tetrazol-5-one

CCS(=O)(=O)CCNc1cc(F)ccc1Cl

2-chloro-N-(2-ethylsulfonylethyl)-5-fluoroaniline

NCCCCCNC(=O)c1[nH]cnc1C(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1

benzyl 2-[[5-(5-aminopentylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenylpropanoate

O=C1C(=Cc2ccc(-c3ccc(Cl)cc3)o2)N2CCC1CC2

2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-one

CCOC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)CC

(2S)-1-[(2S)-1-[(2S,3S)-2-(ethoxycarbonylamino)-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

CC(=O)Nc1ccc(C(N)=O)c(NC(C)=O)c1

2,4-diacetamidobenzamide

CC1CCC(NC(=O)CC(CC(=O)NC2CCC(C)CC2)C(=O)NC2CCC(C)CC2)CC1.CCCCCCC(O)CCCCCCCCCCC(=O)[O-].[K+]

potassium;12-hydroxyoctadecanoate;1-N,2-N,3-N-tris(4-methylcyclohexyl)propane-1,2,3-tricarboxamide

Cc1nc(CN2CCC3(CC(=O)NC3=O)C2)co1

7-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

CCNc1ccccc1C(=O)Nc1cc(Cl)c(C)cc1Br

N-(2-bromo-5-chloro-4-methylphenyl)-2-(ethylamino)benzamide

CCN(CC)c1nc(C(N)=O)cc(-c2cc(Cl)ccc2Cl)n1

6-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide

c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4c(-c5ccccc5)cccc43)c2)cc1

3-carbazol-9-yl-9-(3,5-diphenylphenyl)-5-phenylcarbazole

N=C1C(c2nc3ccccc3s2)=C(O)CN1c1cc(F)cc(F)c1

4-(1,3-benzothiazol-2-yl)-1-(3,5-difluorophenyl)-5-imino-2H-pyrrol-3-ol

C#CCNCC(=O)NCCN(C)C(C)CC

N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide

CNC1CCCCCCCCCCC1N1CC2CCC1C2

2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylcyclododecan-1-amine

CCN1CCC(C)N(C)C(=O)C1CCO

4-ethyl-3-(2-hydroxyethyl)-1,7-dimethyl-1,4-diazepan-2-one

COc1c(C)cc(CC(=O)O)cc1C1CCCCC1

2-(3-cyclohexyl-4-methoxy-5-methylphenyl)acetic acid

COC(=O)c1cccc(Nc2nc(Cl)nc3c2[nH]c2cc(OC)ccc23)c1

methyl 3-[(2-chloro-7-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]benzoate

Cc1ccc(C(F)(F)F)cc1-c1cn2cncc(Nc3ccc(-c4ocnc4C)nc3)c2n1

N-[6-(4-methyl-1,3-oxazol-5-yl)pyridin-3-yl]-2-[2-methyl-5-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-8-amine

Cc1nc(CC(C)C)oc1C(=O)N1CCCC1C1CCCCC1(C)O

[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]-[4-methyl-2-(2-methylpropyl)-1,3-oxazol-5-yl]methanone

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCc3ccc(OC)cc3)=C(C[N+]34CCC(C)(CC3)CC4)CS[C@@H]12)c1nsc(N)n1.[I-]

(4-methoxyphenyl)methyl (6S,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(4-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;iodide

Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(Cl)cc2)C(Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1

2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide

Cc1cccc(Cl)c1S(=O)(=O)n1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21

7-(2-chloro-6-methylphenyl)sulfonyl-N-(4-piperazin-1-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

Cc1ccc(C)c(NC(=O)[C@H]2CCCN(c3ncnc4onc(C)c34)C2)c1

(3S)-N-(2,5-dimethylphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide

CC1(C)NCC[C@H]1Oc1nc(OC[C@@]23CCCN2C[C@H](F)C3)nc2c(F)c(-c3ccc(F)c4sc(N)nc34)c(C(F)(F)F)cc12

4-[4-[(3R)-2,2-dimethylpyrrolidin-3-yl]oxy-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine

COc1ccc(C(Cl)c2scc(C)c2Cl)c(OC)c1OC

3-chloro-2-[chloro-(2,3,4-trimethoxyphenyl)methyl]-4-methylthiophene

O=C(/C=C/c1cc2c(cc1Br)OCO2)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O

3-[(E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoyl]-4-(4-chlorophenyl)-1H-quinolin-2-one

C=Nc1ncnc2c1c(-c1cccc(O)c1)nn2Cc1cc2cccc(C)c2c(=O)n1-c1ccccc1

3-[[3-(3-hydroxyphenyl)-4-(methylideneamino)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-phenylisoquinolin-1-one

CCCN1CCc2c(c(-c3cccc(OCC)c3)nc3ccc4ccccc4c23)C1

5-(3-ethoxyphenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine

COc1c(Cl)cc(Cl)cc1-c1nc(C)[nH]c1Br

5-bromo-4-(3,5-dichloro-2-methoxyphenyl)-2-methyl-1H-imidazole

O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1Cl

N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide

C=C(C)C.CC.CCC.CCCCc1ccccc1.CCc1cc(C#N)ccc1F

butylbenzene;ethane;3-ethyl-4-fluorobenzonitrile;2-methylprop-1-ene;propane

Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc(Br)c4)ccc32)c1

N-(3-bromophenyl)-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide

COc1cccc(OC)c1/C=N\NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1

2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-(2,6-dimethoxyphenyl)methylideneamino]acetamide

CCNC(=NCC1Cc2ccccc2O1)NC(C)C(C)C.I

2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide

O=C(O)N(Cc1ccc2cccnc2c1)CC1CCCO1

oxolan-2-ylmethyl(quinolin-7-ylmethyl)carbamic acid

CCc1nn(Cc2ccsc2C(=O)O)c(CC)c1[N+](=O)[O-]

3-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]thiophene-2-carboxylic acid

COc1ccc(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c([N+](=O)[O-])c1

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide

CCNC(Cc1nnn(C)n1)C1Cc2ccccc2O1

1-(2,3-dihydro-1-benzofuran-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine

COC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCc2cc(F)ccc2F)cn1

methyl 1-[5-[(2,5-difluorophenyl)methylamino]pyrazin-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylate

CNCC1CCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1

1-[1-(4-bromo-3-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine

CCc1cc(CN)cc(N(CC)C(C)C)n1

4-(aminomethyl)-N,6-diethyl-N-propan-2-ylpyridin-2-amine

NC(=S)c1ccc(C(F)(F)F)nc1Nc1ccc(Cl)cc1

2-(4-chloroanilino)-6-(trifluoromethyl)pyridine-3-carbothioamide

O=C(c1ccoc1)N1CCC(N2C(=O)COC2=O)C1

3-[1-(furan-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)CC(=O)Nc4ccc(CCCCCCCCCCCCCCCCCCC(=O)[O-])cc4)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CC[C@@H]1C[C@@H]2O

19-[4-[[3-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-15-tetracyclo[11.3.1.03,10.04,7]heptadec-13-enyl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-3-oxopropanoyl]amino]phenyl]nonadecanoate

CO[C@H]1CC[C@H](OS(C)(=O)=O)[C@@H](CN=[N+]=[N-])O1

[(2R,3S,6R)-2-(azidomethyl)-6-methoxyoxan-3-yl] methanesulfonate

O=C1CS/C(=C(\C(Cl)=C(Cl)Cl)[N+](=O)[O-])N1c1ccc(F)cc1

(2E)-3-(4-fluorophenyl)-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-thiazolidin-4-one

C=CCn1c(SCc2c(F)cccc2Cl)nnc1C1CC1c1ccccc1

3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(2-phenylcyclopropyl)-4-prop-2-enyl-1,2,4-triazole

COC(=O)c1ccc(NC(=O)CCc2cccc(OC3CCCC3)c2)c(C)c1

methyl 4-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylbenzoate

CCCCCCCCCCCCCCCCCCO[C@@H]1O[C@H](C(=O)O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

(2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-2-carboxy-4,5-dihydroxy-6-octadecoxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

O=C(O)/C=C/c1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1

(E)-3-[4-[(1-adamantylamino)methyl]phenyl]prop-2-enoic acid

O=C(O)CCN(Cc1ccc(F)cc1)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1ccccc1F

3-[(4-fluorophenyl)methyl-[2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoyl]amino]propanoic acid

O=C(O)[C@@H]1CCCN(C(=O)c2ccc(N3CCCCCC3)nc2)C1

(3R)-1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid

COC(=O)/C=C(/C)CCl

methyl (Z)-4-chloro-3-methylbut-2-enoate

Cc1cc(Nc2ccc(Cl)cc2C)nc(NCC(C)C)n1

4-N-(4-chloro-2-methylphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine