AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-46

SMILES stringlengths 2 1.22k	IUPAC stringlengths 4 2.43k
COc1ccc(C(=O)OCC(C)Cl)cc1	2-chloropropyl 4-methoxybenzoate
O[C@@H]1[C@H](O)CS[C@H]1c1cnc2c(NCc3cccc(N4CCOCC4)c3)nccn12	(2S,3R,4S)-2-[8-[(3-morpholin-4-ylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]thiolane-3,4-diol
CCC1CCC(c2cc(F)c(Cc3ccc(C(F)(F)F)cc3)c(F)c2)CC1	5-(4-ethylcyclohexyl)-1,3-difluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzene
COc1ccc(-c2csc(NC(=O)CSc3cccc(NC(=O)/C(=C\c4ccc(C(C)C)cc4)NC(=O)c4ccccc4)c3)n2)cc1OC	N-[(E)-3-[3-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylanilino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]benzamide
CC(C)(C)c1ccc(C(=N)N2CCOCC2)cc1	(4-tert-butylphenyl)-morpholin-4-ylmethanimine
Fc1ccc(CCc2nc(C3CCOC3)no2)cc1	5-[2-(4-fluorophenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CC(C)c1ccccc1NC(O)NC1CCC(Nc2nccc(-c3cn[nH]c3N)n2)CC1	[[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]amino]-(2-propan-2-ylanilino)methanol
COC1(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)CCNCC1.Cl.Cl	N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
COC(=O)c1ccccc1NC(=O)CSCCN	methyl 2-[[2-(2-aminoethylsulfanyl)acetyl]amino]benzoate
NC(CCc1cccs1)c1c(Cl)cccc1Cl	1-(2,6-dichlorophenyl)-3-thiophen-2-ylpropan-1-amine
COc1ccc(NC(=O)c2nnn(-c3ccc(Br)cc3)c2C)c(OC)c1	1-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-5-methyltriazole-4-carboxamide
Cc1cc(Cl)ccc1NC(=O)C1(C(=O)N(C)Cc2ccccc2)CC1	1-N'-benzyl-1-N-(4-chloro-2-methylphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
Clc1ccc(C2Nc3ccc(Br)cc3C3C=CCC32)c(Cl)c1	8-bromo-4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
C=CC(CP)CCOCCC	2-(2-propoxyethyl)but-3-enylphosphane
Cc1sc2nc(SCCCN3C(=O)CNC3=O)n(Cc3ccccn3)c(=O)c2c1C	3-[3-[5,6-dimethyl-4-oxo-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione
COc1ccc(-c2ccc3cnc(OS(=O)(=O)C(F)(F)F)nn23)cn1	[7-(6-methoxypyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl] trifluoromethanesulfonate
CSc1nc(C(=O)O)c(C2=CCCCC2)n1CC(C)C	5-(cyclohexen-1-yl)-1-(2-methylpropyl)-2-methylsulfanylimidazole-4-carboxylic acid
Cc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)c1	N-(3-methylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(CCOc3cccc(C)c3)s2)c1	5-methoxy-N-[5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide
O=c1ccncn1CCSc1ccccc1	3-(2-phenylsulfanylethyl)pyrimidin-4-one
C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C#CC3=CC=CC(OC)C=C3)cc2Cl)cc1	[2-chloro-4-[2-(5-methoxycyclohepta-1,3,6-trien-1-yl)ethynyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CCNC(Cc1cccc(F)c1)c1ccnnc1	N-ethyl-2-(3-fluorophenyl)-1-pyridazin-4-ylethanamine
CCCCCCCCOc1ccc(OC(=O)c2ccc(C(C)CC)cc2)cc1	(4-octoxyphenyl) 4-butan-2-ylbenzoate
CNc1cc(-c2cn3ccnc3c(Nc3ccc(N4CC[C@H](O)C4)cc3)n2)ccc1C=N	(3S)-1-[4-[[6-[4-methanimidoyl-3-(methylamino)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]pyrrolidin-3-ol
CC(C)=CCc1c(O)cc(O)c2c1O/C(=C\c1ccc(O)cc1O)C2=O	(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-3-one
CCOc1ccc(C(=O)Nc2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)cc1	N-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-4-ethoxybenzamide
Cc1ccc(Cl)cc1NC(=O)c1ccnc(Nc2ccc(F)c(Cl)c2)n1	2-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide
COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@H](C)c3ccc(F)cc3)c2)cc1	N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CCNc1nc(N2CCC(C)(C)CC2)c2[nH]cnc2n1	6-(4,4-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine
C=C/C=C\C(=C)c1ccc(/C(C=C)=C/C=C(\C)N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2cccc(Cc3cccc4c3c(/C=C\c3ccccc3C)cn4-c3ccccc3)c2)cc1	N-[(2E,4E)-5-[4-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]hepta-2,4,6-trien-2-yl]-3-[[3-[(Z)-2-(2-methylphenyl)ethenyl]-1-phenylindol-4-yl]methyl]-N-[4-(4-phenylphenyl)phenyl]aniline
N#Cc1cccc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)c1	3-[[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]benzonitrile
O=C(NCCCC1CC1)c1cc(S(=O)(=O)Cl)c(F)cc1Br	4-bromo-5-(3-cyclopropylpropylcarbamoyl)-2-fluorobenzenesulfonyl chloride
COC(=O)CN(C(=O)c1csc(CCN)n1)C(C)C	methyl 2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate
CC(C)[C@](N)(C(=O)O)C(=O)OC[C@H]1CCCO1	(2S)-2-amino-3-methyl-2-[[(2R)-oxolan-2-yl]methoxycarbonyl]butanoic acid
[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)c3c([2H])c([2H])c(-c4ccc(-c5ccccc5)cc4)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]	2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
C=CC(=O)N(CC1CCCO1)C1CCSC1	N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)prop-2-enamide
CCCCCCCCCCCCCCCCc1cc(-c2ccc(C)s2)sc1-c1cc2sc(-c3sc(-c4ccc(C)s4)cc3CCCCCCCCCCCCCCCC)cc2s1.CCCCCCCCCCCCCCc1cc(-c2cc3sc(-c4cc(CCCCCCCCCCCCCC)c(-c5ccc(C)s5)s4)cc3s2)sc1-c1ccc(C)s1.CCCCCCCCCCCCCCc1cc(-c2ccc(C)s2)sc1-c1cc2sc(-c3sc(-c4ccc(C)s4)cc3CCCCCCCCCCCCCC)cc2s1.CCCCCCCCCCCCc1cc(-c2cc3sc(-c4cc(CCCCCCCCCCCC)c(-c5ccc(C)s5)s4)cc3s2)sc1-c1ccc(C)s1.CCCCCCCCCCCCc1cc(-c2ccc(C)s2)sc1-c1cc2sc(-c3sc(-c4ccc(C)s4)cc3CCCCCCCCCCCC)cc2s1.CCCCCCCCCCCCc1cc(-c2cccs2)sc1-c1cc2sc(-c3sc(-c4cccs4)cc3CCCCCCCCCCCC)cc2s1	2,5-bis[3-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[3,2-b]thiophene;2,5-bis[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[3,2-b]thiophene;2,5-bis(3-dodecyl-5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]thiophene;2,5-bis[3-hexadecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[3,2-b]thiophene;2,5-bis[5-(5-methylthiophen-2-yl)-3-tetradecylthiophen-2-yl]thieno[3,2-b]thiophene;2,5-bis[5-(5-methylthiophen-2-yl)-4-tetradecylthiophen-2-yl]thieno[3,2-b]thiophene
O=S(=O)(CCO)NCc1cc(Br)cs1	N-[(4-bromothiophen-2-yl)methyl]-2-hydroxyethanesulfonamide
C#Cc1ccc(C(C(=O)NCc2ccccc2)N(C(=O)C(CCSC)NC(=O)OC(C)(C)C)C(C)(C)C)cc1	tert-butyl N-[1-[[2-(benzylamino)-1-(4-ethynylphenyl)-2-oxoethyl]-tert-butylamino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
O=C(c1ccc2c(c1)CN(C(=O)c1ccc(Cl)s1)C2)N1CCC2(CC1)CCN(c1ccncc1)CC2	[2-(5-chlorothiophene-2-carbonyl)-1,3-dihydroisoindol-5-yl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CC1(C)C[C@@H](NC2CCN(c3ccc(-n4cccn4)cc3)CC2)CCO1	N-[(4S)-2,2-dimethyloxan-4-yl]-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine
COc1ccc(C(Cc2ccc(Cl)cc2)C(=O)O)cc1C	3-(4-chlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid
CCCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](CC)c3ccc(OC)c(C)c3)ccc21	N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CCc1cc(N2CCCC(NC(=O)Cn3ncn(C)c3=O)C2)ncn1	N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
NC(NC(O)c1ccc(C(O)NCc2ccc(C(O)NCCO)cc2)s1)c1csc(-c2ccc(P)cc2)c1O	4-[amino-[[hydroxy-[5-[hydroxy-[[4-[hydroxy-(2-hydroxyethylamino)methyl]phenyl]methylamino]methyl]thiophen-2-yl]methyl]amino]methyl]-2-(4-phosphanylphenyl)thiophen-3-ol
COC(=O)CC/C(C)=C/Cc1c(OC)c(C)c2c(c1OCc1cc(C)c(OC(=O)CCCCCCC(C)CC(=O)OC(COC(C)=O)COC(C)=O)c(C)c1)C(=O)OC2	1-O-(1,3-diacetyloxypropan-2-yl) 10-O-[4-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxymethyl]-2,6-dimethylphenyl] 3-methyldecanedioate
CCOC(=O)N(Cc1c(F)cccc1F)c1sc(-c2ccc([N+](=O)[O-])cc2)c(CN(C)C)c1C(=O)Nc1ccc(OC(F)F)nc1	ethyl N-[3-[[6-(difluoromethoxy)pyridin-3-yl]carbamoyl]-4-[(dimethylamino)methyl]-5-(4-nitrophenyl)thiophen-2-yl]-N-[(2,6-difluorophenyl)methyl]carbamate
CCC(C)(CO)CNC(C)COC	2-[(1-methoxypropan-2-ylamino)methyl]-2-methylbutan-1-ol
CC(=O)N(COc1ccc2ccccc2c1)COc1ccc2ccccc2c1	N,N-bis(naphthalen-2-yloxymethyl)acetamide
CCCNc1cncc(NC2(CO)CCC2)c1	[1-[[5-(propylamino)pyridin-3-yl]amino]cyclobutyl]methanol
CCOCc1c[n+](C)c(C)nc1N.[I-]	5-(ethoxymethyl)-1,2-dimethylpyrimidin-1-ium-4-amine;iodide
FC(F)(F)c1ccnc(Sc2nnc(N3CCCC3)s2)n1	2-pyrrolidin-1-yl-5-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3,4-thiadiazole
Brc1ccc(-c2c3ccccc3c(-c3ccc(Br)cc3)c3cc4c(cc23)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1c2cc3c(cc2c(C(C)(C)C)c2cc4c(cc12)C(C)(C)c1ccccc1-4)C(C)(C)c1ccccc1-3.CC1(C)c2cc(Br)ccc2-c2ccc3c(-c4ccccc4)c4c5c(ccc4c(-c4ccccc4)c3c21)-c1ccc(Br)cc1C5(C)C.CC1(C)c2ccccc2-c2ccc3c(-c4ccc(Br)cc4)c4c5c(ccc4c(-c4ccc(Br)cc4)c3c21)-c1ccccc1C5(C)C	14,21-bis(4-bromophenyl)-10,10-diphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;2,16-bis(4-bromophenyl)-5,5,19,19-tetramethylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene;8,22-dibromo-5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6(11),7,9,13,16,18(26),20(25),21,23,27-tridecaene;2,16-ditert-butyl-12,12,26,26-tetramethylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6,8,10,14,16,18,20,22,24,27-tridecaene
S=C(Nc1ccccc1)NC1CCOCC1	1-(oxan-4-yl)-3-phenylthiourea
CC(C)n1ccc(COc2c(Br)cc(CCl)cc2Br)n1	3-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
Cc1cccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)c1	N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methylbenzamide
CN(CCc1nc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)cs1)CCS(=O)(=O)c1ccccn1	N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[2-[methyl(2-pyridin-2-ylsulfonylethyl)amino]ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine
C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(Br)cc2)c(C)c1	5-(4-bromophenyl)-4-[hydroxy-(2-methyl-4-prop-2-enoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
COc1ccc(-n2nnnc2SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])cc1	N-(2,4-dimethyl-6-nitrophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CC(C)(N)CNC(=O)CCOCc1ccccc1	N-(2-amino-2-methylpropyl)-3-phenylmethoxypropanamide
CNc1ccccc1-c1nc2c(F)cccc2n1C	2-(4-fluoro-1-methylbenzimidazol-2-yl)-N-methylaniline
C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OCC	(Z)-3-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-2-(4-chlorophenyl)prop-2-enenitrile
COCCN(CCOC)c1ccc(C(F)(F)F)cc1NC(=O)C1CCCCC1	N-[2-[bis(2-methoxyethyl)amino]-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
N#Cc1ccc(-c2ccccc2-n2c3ccccc3c3ccc(C#N)cc32)c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1	9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-2-carbonitrile
Cc1cccc(CN2CCC3(CC(OCC4CC4)CO3)C2)n1	3-(cyclopropylmethoxy)-7-[(6-methylpyridin-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CCCCOc1c(C)cc(NC(=O)[C@](C)(CCC)OC)cc1C	(2S)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylpentanamide
CCNc1ccc(S(=O)(=O)N(C)C2CCCC(C)C2)cc1	4-(ethylamino)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CC(C)N[P@](=O)(CO)Oc1ccccc1	[phenoxy-(propan-2-ylamino)phosphoryl]methanol
Cc1cc(N)ccc1S(=O)(=O)Nc1cc(F)cc(F)c1F	4-amino-2-methyl-N-(2,3,5-trifluorophenyl)benzenesulfonamide
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)C(Cc1cccs1)CN2Cc1cnc[nH]1	4-(benzenesulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile
COc1cc(NC(=O)[C@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(OC)cc1Cl	(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
[C-]#[N+]c1c(CC(C)C)cc(C)c2c1oc1c(-c3cccc[n+]3C)c(C)ccc12	2-[6-isocyano-3,9-dimethyl-7-(2-methylpropyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
C/C(=C\C(=O)N[C@H]1CCc2cccc3c2C(C1=O)[C@H](C(=O)N[C@@H](CCC(N)=O)[C@@H](C)OCc1ccc(CCCNC(=O)COCCOCCCc2ccc4c(c2)n(C)c(=O)n4C2CCC(=O)N(C)C2=O)cc1)C3)c1ccc(C(F)(F)P(=O)(O)O)cc1	[[4-[(E)-4-[[(2R,11S)-2-[[(2R,3S)-6-amino-2-[[4-[3-[[2-[2-[3-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-5-yl]propoxy]ethoxy]acetyl]amino]propyl]phenyl]methoxy]-6-oxohexan-3-yl]carbamoyl]-12-oxo-11-tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trienyl]amino]-4-oxobut-2-en-2-yl]phenyl]-difluoromethyl]phosphonic acid
COc1cc2cc(c1OC)Oc1ccc(cc1)CCCC[C@@H](O)/C=C\2	(8Z,10R)-4,5-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaen-10-ol
Cn1cc(CN2CCN(C(=O)c3ccc(COc4c(F)c(F)c(F)c(F)c4F)o3)CC2)cn1	[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-yl]methanone
CCCCc1ncc(CNCc2ccc3c(c2)nc(C)n3C)[nH]1	N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1,2-dimethylbenzimidazol-5-yl)methanamine
CC(=C/CO)/C=C/[C@@]1(O)C(C)(C)CCC[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	(2S,3R,4S,5S,6R)-2-[(1R,2R)-2-hydroxy-2-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-1,3,3-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CCCCc1ccc(C(=O)NC(=Cc2ccc(C)cc2)C(=O)Nc2ccc(F)cc2)cc1	4-butyl-N-[3-(4-fluoroanilino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CN1CCN(C(=O)c2cccc(NC(=S)NC(=O)c3ccc(OCCc4ccccc4)c(Br)c3)c2)CC1	3-bromo-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CC1CC(C)CN(S(=O)(=O)N(C)CC2CCCCC2O)C1	N-[(2-hydroxycyclohexyl)methyl]-N,3,5-trimethylpiperidine-1-sulfonamide
NCCCOc1c2cc(NC(=O)CP(=O)(c3ccccc3)c3ccccc3)cc1Cc1cc(NC(=O)CP(=O)(c3ccccc3)c3ccccc3)cc(c1OCCCN)Cc1cc(NC(=O)CP(=O)(c3ccccc3)c3ccccc3)cc(c1OCCCN)Cc1cc(NC(=O)CP(=O)(c3ccccc3)c3ccccc3)cc(c1OCCCN)C2	2-diphenylphosphoryl-N-[25,26,27,28-tetrakis(3-aminopropoxy)-11,17,23-tris[(2-diphenylphosphorylacetyl)amino]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]acetamide
CCCCCc1cc(OC)c([C@H]2C=C(C)CC[C@H]2C=O)c(OC)c1	(1R,2S)-2-(2,6-dimethoxy-4-pentylphenyl)-4-methylcyclohex-3-ene-1-carbaldehyde
CCC.CCC.CCC(C)C(C)NC(=O)CNC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCC(=O)NCCCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12)NC(=O)CN.Cc1ccc([N+](=O)[O-])cc1.NC(=O)CNC=O	2-[(2-aminoacetyl)amino]-N-[2-[[6-amino-1-[[2-(3-methylpentan-2-ylamino)-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]-N'-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butyl]pentanediamide;2-formamidoacetamide;1-methyl-4-nitrobenzene;propane
CCCCCCCCCCCCC(C(O)CCC)S(=O)(=O)[O-].[K+]	potassium;4-hydroxyheptadecane-5-sulfonate
Cc1cccc2c(OC(=O)N(CCNC(=O)[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)CCOCCN3C(=O)C=CC3=O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cn2cc(NC(=O)c3ccc(O)cc3)ccc2n1	[(1S)-1-(chloromethyl)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-9-methyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]propanoyl]amino]ethyl]-N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]carbamate
COCC(N)C(=O)NC(C)CCc1ccc(O)cc1	2-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-3-methoxypropanamide
CC(C)N1C(=O)CCCC(N)C1c1cccc(C#N)c1	3-(3-amino-7-oxo-1-propan-2-ylazepan-2-yl)benzonitrile
Cc1ccc(N=C2C(=O)N(C[NH+]3CCC(C)CC3)c3ccccc32)c(C)c1	3-(2,4-dimethylphenyl)imino-1-[(4-methylpiperidin-1-ium-1-yl)methyl]indol-2-one
O=C(c1cc2ncccn2n1)c1cccc(F)c1F	(2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CCc1ccc(Cl)c2c(Cl)c3c(nc12)-c1cc2c(c(=O)n1C3)COC(=O)[C@]2(O)CC	(19S)-8,10-dichloro-5,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CCNCc1cccc(NC(=O)CCSCc2nc3ccccc3c(=O)[nH]2)c1	N-[3-(ethylaminomethyl)phenyl]-3-[(4-oxo-3H-quinazolin-2-yl)methylsulfanyl]propanamide
COc1cccc2c1[C@@](/C=C/C=O)(OC(C)=O)[C@H]2C	[(7S,8S)-5-methoxy-8-methyl-7-[(E)-3-oxoprop-1-enyl]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl] acetate
C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(C(C)(C)C)cc1	N-[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]-2,4-dichlorobenzamide
CC1(C)CC[C@]2(C=O)CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@]43C)[C@@H]2C1	(4aS,6aS,6bR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carbaldehyde
CSS[C@H]1C(=O)N2[C@H]3N(S(=O)(=O)c4ccccc4)c4ccccc4[C@@]3(c3c[nH]c4ccccc34)C[C@]2(SS)C(=O)N1C	(1S,4S,7S,9S)-16-(benzenesulfonyl)-7-(disulfanyl)-9-(1H-indol-3-yl)-5-methyl-4-(methyldisulfanyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
COc1ccc(C=Cc2onc(C)c2S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1	1-[[5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
C=CC(=O)OC(CO)Oc1nc(-c2ccc(CC)cc2CC)nc(-c2ccc(CC)cc2CC)n1	[1-[[4,6-bis(2,4-diethylphenyl)-1,3,5-triazin-2-yl]oxy]-2-hydroxyethyl] prop-2-enoate
CCCCCCC1COC(C(O)C(C)(O)C2CCC3(O)C4C(=NCC(C)O)C(=O)C56CC#CCC23CCC4C5(CCC2CCC(N)[NH2+]C2)CC(O)C(O)C6)C1C	5-[2-(6-aminopiperidin-1-ium-3-yl)ethyl]-17-[1-(4-hexyl-3-methyloxolan-2-yl)-1,2-dihydroxypropan-2-yl]-7,8,14-trihydroxy-12-(2-hydroxypropylimino)pentacyclo[8.7.4.01,14.04,13.05,10]henicos-19-yn-11-one
N=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(c3ccccc3)=NN12	(6Z)-5-imino-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CC1Cc2ccccc2N1c1cc(Br)ccc1C#N	4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile

COc1ccc(C(=O)OCC(C)Cl)cc1

2-chloropropyl 4-methoxybenzoate

O[C@@H]1[C@H](O)CS[C@H]1c1cnc2c(NCc3cccc(N4CCOCC4)c3)nccn12

(2S,3R,4S)-2-[8-[(3-morpholin-4-ylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]thiolane-3,4-diol

CCC1CCC(c2cc(F)c(Cc3ccc(C(F)(F)F)cc3)c(F)c2)CC1

5-(4-ethylcyclohexyl)-1,3-difluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzene

COc1ccc(-c2csc(NC(=O)CSc3cccc(NC(=O)/C(=C\c4ccc(C(C)C)cc4)NC(=O)c4ccccc4)c3)n2)cc1OC

N-[(E)-3-[3-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylanilino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]benzamide

CC(C)(C)c1ccc(C(=N)N2CCOCC2)cc1

(4-tert-butylphenyl)-morpholin-4-ylmethanimine

Fc1ccc(CCc2nc(C3CCOC3)no2)cc1

5-[2-(4-fluorophenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

CC(C)c1ccccc1NC(O)NC1CCC(Nc2nccc(-c3cn[nH]c3N)n2)CC1

[[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]amino]-(2-propan-2-ylanilino)methanol

COC1(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)CCNCC1.Cl.Cl

N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

COC(=O)c1ccccc1NC(=O)CSCCN

methyl 2-[[2-(2-aminoethylsulfanyl)acetyl]amino]benzoate

NC(CCc1cccs1)c1c(Cl)cccc1Cl

1-(2,6-dichlorophenyl)-3-thiophen-2-ylpropan-1-amine

COc1ccc(NC(=O)c2nnn(-c3ccc(Br)cc3)c2C)c(OC)c1

1-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-5-methyltriazole-4-carboxamide

Cc1cc(Cl)ccc1NC(=O)C1(C(=O)N(C)Cc2ccccc2)CC1

1-N'-benzyl-1-N-(4-chloro-2-methylphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide

Clc1ccc(C2Nc3ccc(Br)cc3C3C=CCC32)c(Cl)c1

8-bromo-4-(2,4-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

C=CC(CP)CCOCCC

2-(2-propoxyethyl)but-3-enylphosphane

Cc1sc2nc(SCCCN3C(=O)CNC3=O)n(Cc3ccccn3)c(=O)c2c1C

3-[3-[5,6-dimethyl-4-oxo-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylpropyl]imidazolidine-2,4-dione

COc1ccc(-c2ccc3cnc(OS(=O)(=O)C(F)(F)F)nn23)cn1

[7-(6-methoxypyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl] trifluoromethanesulfonate

CSc1nc(C(=O)O)c(C2=CCCCC2)n1CC(C)C

5-(cyclohexen-1-yl)-1-(2-methylpropyl)-2-methylsulfanylimidazole-4-carboxylic acid

Cc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)c1

N-(3-methylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(CCOc3cccc(C)c3)s2)c1

5-methoxy-N-[5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide

O=c1ccncn1CCSc1ccccc1

3-(2-phenylsulfanylethyl)pyrimidin-4-one

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C#CC3=CC=CC(OC)C=C3)cc2Cl)cc1

[2-chloro-4-[2-(5-methoxycyclohepta-1,3,6-trien-1-yl)ethynyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate

CCNC(Cc1cccc(F)c1)c1ccnnc1

N-ethyl-2-(3-fluorophenyl)-1-pyridazin-4-ylethanamine

CCCCCCCCOc1ccc(OC(=O)c2ccc(C(C)CC)cc2)cc1

(4-octoxyphenyl) 4-butan-2-ylbenzoate

CNc1cc(-c2cn3ccnc3c(Nc3ccc(N4CC[C@H](O)C4)cc3)n2)ccc1C=N

(3S)-1-[4-[[6-[4-methanimidoyl-3-(methylamino)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]pyrrolidin-3-ol

CC(C)=CCc1c(O)cc(O)c2c1O/C(=C\c1ccc(O)cc1O)C2=O

(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-3-one

CCOc1ccc(C(=O)Nc2cc3nccc(-c4ccc(OC)c(OC)c4)n3n2)cc1

N-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-4-ethoxybenzamide

Cc1ccc(Cl)cc1NC(=O)c1ccnc(Nc2ccc(F)c(Cl)c2)n1

2-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide

COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@H](C)c3ccc(F)cc3)c2)cc1

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

CCNc1nc(N2CCC(C)(C)CC2)c2[nH]cnc2n1

6-(4,4-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine

C=C/C=C\C(=C)c1ccc(/C(C=C)=C/C=C(\C)N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2cccc(Cc3cccc4c3c(/C=C\c3ccccc3C)cn4-c3ccccc3)c2)cc1

N-[(2E,4E)-5-[4-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]hepta-2,4,6-trien-2-yl]-3-[[3-[(Z)-2-(2-methylphenyl)ethenyl]-1-phenylindol-4-yl]methyl]-N-[4-(4-phenylphenyl)phenyl]aniline

N#Cc1cccc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)c1

3-[[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]benzonitrile

O=C(NCCCC1CC1)c1cc(S(=O)(=O)Cl)c(F)cc1Br

4-bromo-5-(3-cyclopropylpropylcarbamoyl)-2-fluorobenzenesulfonyl chloride

COC(=O)CN(C(=O)c1csc(CCN)n1)C(C)C

methyl 2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate

CC(C)[C@](N)(C(=O)O)C(=O)OC[C@H]1CCCO1

(2S)-2-amino-3-methyl-2-[[(2R)-oxolan-2-yl]methoxycarbonyl]butanoic acid

[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)c3c([2H])c([2H])c(-c4ccc(-c5ccccc5)cc4)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]

2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline

C=CC(=O)N(CC1CCCO1)C1CCSC1

N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)prop-2-enamide

CCCCCCCCCCCCCCCCc1cc(-c2ccc(C)s2)sc1-c1cc2sc(-c3sc(-c4ccc(C)s4)cc3CCCCCCCCCCCCCCCC)cc2s1.CCCCCCCCCCCCCCc1cc(-c2cc3sc(-c4cc(CCCCCCCCCCCCCC)c(-c5ccc(C)s5)s4)cc3s2)sc1-c1ccc(C)s1.CCCCCCCCCCCCCCc1cc(-c2ccc(C)s2)sc1-c1cc2sc(-c3sc(-c4ccc(C)s4)cc3CCCCCCCCCCCCCC)cc2s1.CCCCCCCCCCCCc1cc(-c2cc3sc(-c4cc(CCCCCCCCCCCC)c(-c5ccc(C)s5)s4)cc3s2)sc1-c1ccc(C)s1.CCCCCCCCCCCCc1cc(-c2ccc(C)s2)sc1-c1cc2sc(-c3sc(-c4ccc(C)s4)cc3CCCCCCCCCCCC)cc2s1.CCCCCCCCCCCCc1cc(-c2cccs2)sc1-c1cc2sc(-c3sc(-c4cccs4)cc3CCCCCCCCCCCC)cc2s1

2,5-bis[3-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[3,2-b]thiophene;2,5-bis[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[3,2-b]thiophene;2,5-bis(3-dodecyl-5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]thiophene;2,5-bis[3-hexadecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[3,2-b]thiophene;2,5-bis[5-(5-methylthiophen-2-yl)-3-tetradecylthiophen-2-yl]thieno[3,2-b]thiophene;2,5-bis[5-(5-methylthiophen-2-yl)-4-tetradecylthiophen-2-yl]thieno[3,2-b]thiophene

O=S(=O)(CCO)NCc1cc(Br)cs1

N-[(4-bromothiophen-2-yl)methyl]-2-hydroxyethanesulfonamide

C#Cc1ccc(C(C(=O)NCc2ccccc2)N(C(=O)C(CCSC)NC(=O)OC(C)(C)C)C(C)(C)C)cc1

tert-butyl N-[1-[[2-(benzylamino)-1-(4-ethynylphenyl)-2-oxoethyl]-tert-butylamino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate

O=C(c1ccc2c(c1)CN(C(=O)c1ccc(Cl)s1)C2)N1CCC2(CC1)CCN(c1ccncc1)CC2

[2-(5-chlorothiophene-2-carbonyl)-1,3-dihydroisoindol-5-yl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone

CC1(C)C[C@@H](NC2CCN(c3ccc(-n4cccn4)cc3)CC2)CCO1

N-[(4S)-2,2-dimethyloxan-4-yl]-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine

COc1ccc(C(Cc2ccc(Cl)cc2)C(=O)O)cc1C

3-(4-chlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid

CCCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](CC)c3ccc(OC)c(C)c3)ccc21

N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide

CCc1cc(N2CCCC(NC(=O)Cn3ncn(C)c3=O)C2)ncn1

N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

NC(NC(O)c1ccc(C(O)NCc2ccc(C(O)NCCO)cc2)s1)c1csc(-c2ccc(P)cc2)c1O

4-[amino-[[hydroxy-[5-[hydroxy-[[4-[hydroxy-(2-hydroxyethylamino)methyl]phenyl]methylamino]methyl]thiophen-2-yl]methyl]amino]methyl]-2-(4-phosphanylphenyl)thiophen-3-ol

COC(=O)CC/C(C)=C/Cc1c(OC)c(C)c2c(c1OCc1cc(C)c(OC(=O)CCCCCCC(C)CC(=O)OC(COC(C)=O)COC(C)=O)c(C)c1)C(=O)OC2

1-O-(1,3-diacetyloxypropan-2-yl) 10-O-[4-[[6-methoxy-5-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxymethyl]-2,6-dimethylphenyl] 3-methyldecanedioate

CCOC(=O)N(Cc1c(F)cccc1F)c1sc(-c2ccc([N+](=O)[O-])cc2)c(CN(C)C)c1C(=O)Nc1ccc(OC(F)F)nc1

ethyl N-[3-[[6-(difluoromethoxy)pyridin-3-yl]carbamoyl]-4-[(dimethylamino)methyl]-5-(4-nitrophenyl)thiophen-2-yl]-N-[(2,6-difluorophenyl)methyl]carbamate

CCC(C)(CO)CNC(C)COC

2-[(1-methoxypropan-2-ylamino)methyl]-2-methylbutan-1-ol

CC(=O)N(COc1ccc2ccccc2c1)COc1ccc2ccccc2c1

N,N-bis(naphthalen-2-yloxymethyl)acetamide

CCCNc1cncc(NC2(CO)CCC2)c1

[1-[[5-(propylamino)pyridin-3-yl]amino]cyclobutyl]methanol

CCOCc1c[n+](C)c(C)nc1N.[I-]

5-(ethoxymethyl)-1,2-dimethylpyrimidin-1-ium-4-amine;iodide

FC(F)(F)c1ccnc(Sc2nnc(N3CCCC3)s2)n1

2-pyrrolidin-1-yl-5-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3,4-thiadiazole

Brc1ccc(-c2c3ccccc3c(-c3ccc(Br)cc3)c3cc4c(cc23)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1c2cc3c(cc2c(C(C)(C)C)c2cc4c(cc12)C(C)(C)c1ccccc1-4)C(C)(C)c1ccccc1-3.CC1(C)c2cc(Br)ccc2-c2ccc3c(-c4ccccc4)c4c5c(ccc4c(-c4ccccc4)c3c21)-c1ccc(Br)cc1C5(C)C.CC1(C)c2ccccc2-c2ccc3c(-c4ccc(Br)cc4)c4c5c(ccc4c(-c4ccc(Br)cc4)c3c21)-c1ccccc1C5(C)C

14,21-bis(4-bromophenyl)-10,10-diphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;2,16-bis(4-bromophenyl)-5,5,19,19-tetramethylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene;8,22-dibromo-5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6(11),7,9,13,16,18(26),20(25),21,23,27-tridecaene;2,16-ditert-butyl-12,12,26,26-tetramethylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6,8,10,14,16,18,20,22,24,27-tridecaene

S=C(Nc1ccccc1)NC1CCOCC1

1-(oxan-4-yl)-3-phenylthiourea

CC(C)n1ccc(COc2c(Br)cc(CCl)cc2Br)n1

3-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]-1-propan-2-ylpyrazole

Cc1cccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)c1

N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methylbenzamide

CN(CCc1nc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)cs1)CCS(=O)(=O)c1ccccn1

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[2-[methyl(2-pyridin-2-ylsulfonylethyl)amino]ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine

C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(Br)cc2)c(C)c1

5-(4-bromophenyl)-4-[hydroxy-(2-methyl-4-prop-2-enoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione

COc1ccc(-n2nnnc2SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])cc1

N-(2,4-dimethyl-6-nitrophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

CC(C)(N)CNC(=O)CCOCc1ccccc1

N-(2-amino-2-methylpropyl)-3-phenylmethoxypropanamide

CNc1ccccc1-c1nc2c(F)cccc2n1C

2-(4-fluoro-1-methylbenzimidazol-2-yl)-N-methylaniline

C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OCC

(Z)-3-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-2-(4-chlorophenyl)prop-2-enenitrile

COCCN(CCOC)c1ccc(C(F)(F)F)cc1NC(=O)C1CCCCC1

N-[2-[bis(2-methoxyethyl)amino]-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide

N#Cc1ccc(-c2ccccc2-n2c3ccccc3c3ccc(C#N)cc32)c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1

9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-2-carbonitrile

Cc1cccc(CN2CCC3(CC(OCC4CC4)CO3)C2)n1

3-(cyclopropylmethoxy)-7-[(6-methylpyridin-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane

CCCCOc1c(C)cc(NC(=O)[C@](C)(CCC)OC)cc1C

(2S)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylpentanamide

CCNc1ccc(S(=O)(=O)N(C)C2CCCC(C)C2)cc1

4-(ethylamino)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide

CC(C)N[P@](=O)(CO)Oc1ccccc1

[phenoxy-(propan-2-ylamino)phosphoryl]methanol

Cc1cc(N)ccc1S(=O)(=O)Nc1cc(F)cc(F)c1F

4-amino-2-methyl-N-(2,3,5-trifluorophenyl)benzenesulfonamide

N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)C(Cc1cccs1)CN2Cc1cnc[nH]1

4-(benzenesulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

COc1cc(NC(=O)[C@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(OC)cc1Cl

(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide

[C-]#[N+]c1c(CC(C)C)cc(C)c2c1oc1c(-c3cccc[n+]3C)c(C)ccc12

2-[6-isocyano-3,9-dimethyl-7-(2-methylpropyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium

C/C(=C\C(=O)N[C@H]1CCc2cccc3c2C(C1=O)[C@H](C(=O)N[C@@H](CCC(N)=O)[C@@H](C)OCc1ccc(CCCNC(=O)COCCOCCCc2ccc4c(c2)n(C)c(=O)n4C2CCC(=O)N(C)C2=O)cc1)C3)c1ccc(C(F)(F)P(=O)(O)O)cc1

[[4-[(E)-4-[[(2R,11S)-2-[[(2R,3S)-6-amino-2-[[4-[3-[[2-[2-[3-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-5-yl]propoxy]ethoxy]acetyl]amino]propyl]phenyl]methoxy]-6-oxohexan-3-yl]carbamoyl]-12-oxo-11-tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trienyl]amino]-4-oxobut-2-en-2-yl]phenyl]-difluoromethyl]phosphonic acid

COc1cc2cc(c1OC)Oc1ccc(cc1)CCCC[C@@H](O)/C=C\2

(8Z,10R)-4,5-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaen-10-ol

Cn1cc(CN2CCN(C(=O)c3ccc(COc4c(F)c(F)c(F)c(F)c4F)o3)CC2)cn1

[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-yl]methanone

CCCCc1ncc(CNCc2ccc3c(c2)nc(C)n3C)[nH]1

N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1,2-dimethylbenzimidazol-5-yl)methanamine

CC(=C/CO)/C=C/[C@@]1(O)C(C)(C)CCC[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

(2S,3R,4S,5S,6R)-2-[(1R,2R)-2-hydroxy-2-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-1,3,3-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

CCCCc1ccc(C(=O)NC(=Cc2ccc(C)cc2)C(=O)Nc2ccc(F)cc2)cc1

4-butyl-N-[3-(4-fluoroanilino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide

CN1CCN(C(=O)c2cccc(NC(=S)NC(=O)c3ccc(OCCc4ccccc4)c(Br)c3)c2)CC1

3-bromo-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide

CC1CC(C)CN(S(=O)(=O)N(C)CC2CCCCC2O)C1

N-[(2-hydroxycyclohexyl)methyl]-N,3,5-trimethylpiperidine-1-sulfonamide

NCCCOc1c2cc(NC(=O)CP(=O)(c3ccccc3)c3ccccc3)cc1Cc1cc(NC(=O)CP(=O)(c3ccccc3)c3ccccc3)cc(c1OCCCN)Cc1cc(NC(=O)CP(=O)(c3ccccc3)c3ccccc3)cc(c1OCCCN)Cc1cc(NC(=O)CP(=O)(c3ccccc3)c3ccccc3)cc(c1OCCCN)C2

2-diphenylphosphoryl-N-[25,26,27,28-tetrakis(3-aminopropoxy)-11,17,23-tris[(2-diphenylphosphorylacetyl)amino]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]acetamide

CCCCCc1cc(OC)c([C@H]2C=C(C)CC[C@H]2C=O)c(OC)c1

(1R,2S)-2-(2,6-dimethoxy-4-pentylphenyl)-4-methylcyclohex-3-ene-1-carbaldehyde

CCC.CCC.CCC(C)C(C)NC(=O)CNC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCC(=O)NCCCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12)NC(=O)CN.Cc1ccc([N+](=O)[O-])cc1.NC(=O)CNC=O

2-[(2-aminoacetyl)amino]-N-[2-[[6-amino-1-[[2-(3-methylpentan-2-ylamino)-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]-N'-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butyl]pentanediamide;2-formamidoacetamide;1-methyl-4-nitrobenzene;propane

CCCCCCCCCCCCC(C(O)CCC)S(=O)(=O)[O-].[K+]

potassium;4-hydroxyheptadecane-5-sulfonate

Cc1cccc2c(OC(=O)N(CCNC(=O)[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)CCOCCN3C(=O)C=CC3=O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cn2cc(NC(=O)c3ccc(O)cc3)ccc2n1

[(1S)-1-(chloromethyl)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-9-methyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]propanoyl]amino]ethyl]-N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]carbamate

COCC(N)C(=O)NC(C)CCc1ccc(O)cc1

2-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-3-methoxypropanamide

CC(C)N1C(=O)CCCC(N)C1c1cccc(C#N)c1

3-(3-amino-7-oxo-1-propan-2-ylazepan-2-yl)benzonitrile

Cc1ccc(N=C2C(=O)N(C[NH+]3CCC(C)CC3)c3ccccc32)c(C)c1

3-(2,4-dimethylphenyl)imino-1-[(4-methylpiperidin-1-ium-1-yl)methyl]indol-2-one

O=C(c1cc2ncccn2n1)c1cccc(F)c1F

(2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

CCc1ccc(Cl)c2c(Cl)c3c(nc12)-c1cc2c(c(=O)n1C3)COC(=O)[C@]2(O)CC

(19S)-8,10-dichloro-5,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

CCNCc1cccc(NC(=O)CCSCc2nc3ccccc3c(=O)[nH]2)c1

N-[3-(ethylaminomethyl)phenyl]-3-[(4-oxo-3H-quinazolin-2-yl)methylsulfanyl]propanamide

COc1cccc2c1[C@@](/C=C/C=O)(OC(C)=O)[C@H]2C

[(7S,8S)-5-methoxy-8-methyl-7-[(E)-3-oxoprop-1-enyl]-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl] acetate

C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(C(C)(C)C)cc1

N-[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]-2,4-dichlorobenzamide

CC1(C)CC[C@]2(C=O)CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@]43C)[C@@H]2C1

(4aS,6aS,6bR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carbaldehyde

CSS[C@H]1C(=O)N2[C@H]3N(S(=O)(=O)c4ccccc4)c4ccccc4[C@@]3(c3c[nH]c4ccccc34)C[C@]2(SS)C(=O)N1C

(1S,4S,7S,9S)-16-(benzenesulfonyl)-7-(disulfanyl)-9-(1H-indol-3-yl)-5-methyl-4-(methyldisulfanyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

COc1ccc(C=Cc2onc(C)c2S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1

1-[[5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

C=CC(=O)OC(CO)Oc1nc(-c2ccc(CC)cc2CC)nc(-c2ccc(CC)cc2CC)n1

[1-[[4,6-bis(2,4-diethylphenyl)-1,3,5-triazin-2-yl]oxy]-2-hydroxyethyl] prop-2-enoate

CCCCCCC1COC(C(O)C(C)(O)C2CCC3(O)C4C(=NCC(C)O)C(=O)C56CC#CCC23CCC4C5(CCC2CCC(N)[NH2+]C2)CC(O)C(O)C6)C1C

5-[2-(6-aminopiperidin-1-ium-3-yl)ethyl]-17-[1-(4-hexyl-3-methyloxolan-2-yl)-1,2-dihydroxypropan-2-yl]-7,8,14-trihydroxy-12-(2-hydroxypropylimino)pentacyclo[8.7.4.01,14.04,13.05,10]henicos-19-yn-11-one

N=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(c3ccccc3)=NN12

(6Z)-5-imino-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

CC1Cc2ccccc2N1c1cc(Br)ccc1C#N

4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile